USER MOD reduce.3.24.130724 H: found=0, std=0, add=991, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 992 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 GLN : amide:sc= -4.06! C(o=-7.7!,f=-28!) USER MOD Set 1.2: A 100 LYS NZ :NH3+ -153:sc= -3.65! (180deg=-1.55) USER MOD Set 2.1: A 27 MET CE :methyl -165:sc= -4.01! (180deg=-5.19!) USER MOD Set 2.2: A 41 ASN : amide:sc= -4.52 K(o=-12,f=-22!) USER MOD Set 2.3: A 93 TYR OH : rot 45:sc= -3.67! USER MOD Set 3.1: A 84 THR OG1 : rot -49:sc= -0.443! USER MOD Set 3.2: A 85 SER OG : rot -95:sc= -0.518! USER MOD Set 4.1: A 17 GLN : amide:sc= -4.56! C(o=-9.8!,f=-25!) USER MOD Set 4.2: A 45 HIS : no HE2:sc= -3.42! C(o=-9.8!,f=-22!) USER MOD Set 4.3: A 79 THR OG1 : rot 88:sc= -1.86! USER MOD Set 5.1: A 28 LYS NZ :NH3+ -130:sc= 0.0011 (180deg=0.655) USER MOD Set 5.2: A 31 ASN : amide:sc= -4.39! C(o=-4.4!,f=-6.6!) USER MOD Set 6.1: A 15 HIS : no HD1:sc= -8.17! C(o=-8.4!,f=-9.4!) USER MOD Set 6.2: A 42 THR OG1 : rot 140:sc= -0.259 USER MOD Set 7.1: A 9 GLN : amide:sc= -2.97! K(o=-3!,f=-0.29) USER MOD Set 7.2: A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -76:sc= -2.93! USER MOD Single : A 7 SER OG : rot 180:sc=-0.000785 USER MOD Single : A 8 SER OG : rot 11:sc= -10.3! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -10.5! C(o=-11!,f=-15!) USER MOD Single : A 16 MET CE :methyl -160:sc= -2.16 (180deg=-3.09!) USER MOD Single : A 19 SER OG : rot 180:sc= -0.962 USER MOD Single : A 21 GLN : amide:sc= -0.0138 X(o=-0.014,f=-0.13) USER MOD Single : A 24 ASN : amide:sc= -1.86 X(o=-1.9,f=-2.1) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1.96! X(o=-2!,f=-1.5) USER MOD Single : A 32 LYS NZ :NH3+ 161:sc= -0.0108 (180deg=-0.149) USER MOD Single : A 33 HIS : no HD1:sc= -4.78! C(o=-4.8!,f=-5.3!) USER MOD Single : A 34 THR OG1 : rot -99:sc= 0.207 USER MOD Single : A 35 LYS NZ :NH3+ -157:sc= -0.0406 (180deg=-0.637) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 64:sc= -0.052 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.696 USER MOD Single : A 59 LYS NZ :NH3+ 155:sc=-0.00269 (180deg=-0.833) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.54 K(o=-1.5,f=-0.63) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -2.33! C(o=-2.3!,f=-2.8!) USER MOD Single : A 70 HIS : no HD1:sc= -15! C(o=-15!,f=-18!) USER MOD Single : A 71 GLN : amide:sc= -6.76! C(o=-6.8!,f=-8.5!) USER MOD Single : A 72 SER OG : rot -135:sc= 1.07 USER MOD Single : A 73 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.32) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -150:sc=-0.00405 (180deg=-0.357) USER MOD Single : A 82 LYS NZ :NH3+ 175:sc= -1.58 (180deg=-1.63) USER MOD Single : A 87 LYS NZ :NH3+ 140:sc= -0.101 (180deg=-0.682) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.637 USER MOD Single : A 90 ASN : amide:sc= -0.0375 X(o=-0.038,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -161:sc= -0.0933 (180deg=-0.819) USER MOD Single : A 99 ASN : amide:sc= -4.16! C(o=-4.2!,f=-2.3!) USER MOD Single : A 101 SER OG : rot 180:sc= -2.84! USER MOD Single : A 102 TYR OH : rot -33:sc= -2.24! USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.245 K(o=-0.24,f=-1.1) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.153) USER MOD Single : A 115 GLN : amide:sc= -1.29! K(o=-1.3!,f=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.315 X(o=-0.32,f=-0.25) USER MOD Single : A 123 HIS : no HE2:sc= -4.99! C(o=-5!,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 85 N MET A 5 102.542 4.983 13.922 1.00 0.00 N ATOM 86 CA MET A 5 102.480 4.550 12.499 1.00 0.00 C ATOM 87 C MET A 5 103.177 5.594 11.627 1.00 0.00 C ATOM 88 O MET A 5 102.547 6.280 10.847 1.00 0.00 O ATOM 89 CB MET A 5 101.019 4.426 12.057 1.00 0.00 C ATOM 90 CG MET A 5 100.212 3.705 13.136 1.00 0.00 C ATOM 91 SD MET A 5 98.545 3.367 12.517 1.00 0.00 S ATOM 92 CE MET A 5 98.162 1.995 13.633 1.00 0.00 C ATOM 0 HA MET A 5 102.974 3.584 12.394 1.00 0.00 H new ATOM 0 HB2 MET A 5 100.599 5.415 11.876 1.00 0.00 H new ATOM 0 HB3 MET A 5 100.959 3.877 11.117 1.00 0.00 H new ATOM 0 HG2 MET A 5 100.705 2.773 13.412 1.00 0.00 H new ATOM 0 HG3 MET A 5 100.160 4.317 14.036 1.00 0.00 H new ATOM 0 HE1 MET A 5 97.159 1.624 13.423 1.00 0.00 H new ATOM 0 HE2 MET A 5 98.884 1.192 13.484 1.00 0.00 H new ATOM 0 HE3 MET A 5 98.212 2.341 14.665 1.00 0.00 H new ATOM 102 N THR A 6 104.473 5.716 11.742 1.00 0.00 N ATOM 103 CA THR A 6 105.204 6.710 10.906 1.00 0.00 C ATOM 104 C THR A 6 104.668 6.635 9.472 1.00 0.00 C ATOM 105 O THR A 6 104.051 5.663 9.086 1.00 0.00 O ATOM 106 CB THR A 6 106.705 6.383 10.924 1.00 0.00 C ATOM 107 OG1 THR A 6 107.288 6.923 12.101 1.00 0.00 O ATOM 108 CG2 THR A 6 107.396 6.985 9.698 1.00 0.00 C ATOM 0 H THR A 6 105.055 5.171 12.378 1.00 0.00 H new ATOM 0 HA THR A 6 105.056 7.716 11.299 1.00 0.00 H new ATOM 0 HB THR A 6 106.831 5.300 10.906 1.00 0.00 H new ATOM 0 HG1 THR A 6 107.396 7.891 11.998 1.00 0.00 H new ATOM 0 HG21 THR A 6 108.459 6.745 9.725 1.00 0.00 H new ATOM 0 HG22 THR A 6 106.953 6.572 8.792 1.00 0.00 H new ATOM 0 HG23 THR A 6 107.268 8.067 9.703 1.00 0.00 H new ATOM 116 N SER A 7 104.892 7.644 8.680 1.00 0.00 N ATOM 117 CA SER A 7 104.387 7.607 7.277 1.00 0.00 C ATOM 118 C SER A 7 104.750 6.257 6.657 1.00 0.00 C ATOM 119 O SER A 7 103.896 5.509 6.223 1.00 0.00 O ATOM 120 CB SER A 7 105.035 8.732 6.470 1.00 0.00 C ATOM 121 OG SER A 7 104.648 9.985 7.018 1.00 0.00 O ATOM 0 H SER A 7 105.400 8.490 8.939 1.00 0.00 H new ATOM 0 HA SER A 7 103.305 7.739 7.269 1.00 0.00 H new ATOM 0 HB2 SER A 7 106.120 8.632 6.491 1.00 0.00 H new ATOM 0 HB3 SER A 7 104.730 8.669 5.426 1.00 0.00 H new ATOM 0 HG SER A 7 105.063 10.709 6.504 1.00 0.00 H new ATOM 127 N SER A 8 106.013 5.940 6.619 1.00 0.00 N ATOM 128 CA SER A 8 106.445 4.639 6.037 1.00 0.00 C ATOM 129 C SER A 8 105.861 3.485 6.841 1.00 0.00 C ATOM 130 O SER A 8 105.603 2.428 6.312 1.00 0.00 O ATOM 131 CB SER A 8 107.965 4.550 6.069 1.00 0.00 C ATOM 132 OG SER A 8 108.509 5.523 5.189 1.00 0.00 O ATOM 0 H SER A 8 106.769 6.529 6.968 1.00 0.00 H new ATOM 0 HA SER A 8 106.090 4.576 5.008 1.00 0.00 H new ATOM 0 HB2 SER A 8 108.329 4.715 7.083 1.00 0.00 H new ATOM 0 HB3 SER A 8 108.289 3.552 5.772 1.00 0.00 H new ATOM 0 HG SER A 8 107.801 6.136 4.901 1.00 0.00 H new ATOM 138 N GLN A 9 105.657 3.665 8.112 1.00 0.00 N ATOM 139 CA GLN A 9 105.089 2.552 8.921 1.00 0.00 C ATOM 140 C GLN A 9 103.661 2.267 8.452 1.00 0.00 C ATOM 141 O GLN A 9 103.313 1.151 8.134 1.00 0.00 O ATOM 142 CB GLN A 9 105.081 2.949 10.395 1.00 0.00 C ATOM 143 CG GLN A 9 106.440 2.628 11.017 1.00 0.00 C ATOM 144 CD GLN A 9 106.505 1.141 11.374 1.00 0.00 C ATOM 145 OE1 GLN A 9 107.421 0.703 12.041 1.00 0.00 O ATOM 146 NE2 GLN A 9 105.563 0.341 10.956 1.00 0.00 N ATOM 0 H GLN A 9 105.856 4.525 8.624 1.00 0.00 H new ATOM 0 HA GLN A 9 105.697 1.656 8.795 1.00 0.00 H new ATOM 0 HB2 GLN A 9 104.866 4.013 10.495 1.00 0.00 H new ATOM 0 HB3 GLN A 9 104.292 2.413 10.923 1.00 0.00 H new ATOM 0 HG2 GLN A 9 107.239 2.880 10.319 1.00 0.00 H new ATOM 0 HG3 GLN A 9 106.594 3.234 11.910 1.00 0.00 H new ATOM 0 HE21 GLN A 9 104.794 0.708 10.396 1.00 0.00 H new ATOM 0 HE22 GLN A 9 105.596 -0.651 11.189 1.00 0.00 H new ATOM 155 N TRP A 10 102.834 3.269 8.384 1.00 0.00 N ATOM 156 CA TRP A 10 101.442 3.038 7.917 1.00 0.00 C ATOM 157 C TRP A 10 101.502 2.444 6.508 1.00 0.00 C ATOM 158 O TRP A 10 100.701 1.613 6.125 1.00 0.00 O ATOM 159 CB TRP A 10 100.684 4.377 7.918 1.00 0.00 C ATOM 160 CG TRP A 10 99.720 4.451 6.772 1.00 0.00 C ATOM 161 CD1 TRP A 10 99.628 5.491 5.911 1.00 0.00 C ATOM 162 CD2 TRP A 10 98.712 3.482 6.351 1.00 0.00 C ATOM 163 NE1 TRP A 10 98.634 5.223 4.989 1.00 0.00 N ATOM 164 CE2 TRP A 10 98.041 3.999 5.216 1.00 0.00 C ATOM 165 CE3 TRP A 10 98.319 2.219 6.832 1.00 0.00 C ATOM 166 CZ2 TRP A 10 97.020 3.290 4.585 1.00 0.00 C ATOM 167 CZ3 TRP A 10 97.292 1.503 6.197 1.00 0.00 C ATOM 168 CH2 TRP A 10 96.645 2.038 5.076 1.00 0.00 C ATOM 0 H TRP A 10 103.060 4.233 8.630 1.00 0.00 H new ATOM 0 HA TRP A 10 100.917 2.346 8.575 1.00 0.00 H new ATOM 0 HB2 TRP A 10 100.146 4.493 8.859 1.00 0.00 H new ATOM 0 HB3 TRP A 10 101.395 5.201 7.854 1.00 0.00 H new ATOM 0 HD1 TRP A 10 100.233 6.385 5.940 1.00 0.00 H new ATOM 0 HE1 TRP A 10 98.371 5.854 4.232 1.00 0.00 H new ATOM 0 HE3 TRP A 10 98.811 1.798 7.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 96.522 3.707 3.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 96.999 0.535 6.575 1.00 0.00 H new ATOM 0 HH2 TRP A 10 95.856 1.482 4.591 1.00 0.00 H new ATOM 179 N PHE A 11 102.459 2.865 5.739 1.00 0.00 N ATOM 180 CA PHE A 11 102.589 2.340 4.351 1.00 0.00 C ATOM 181 C PHE A 11 103.292 0.984 4.356 1.00 0.00 C ATOM 182 O PHE A 11 103.370 0.321 3.346 1.00 0.00 O ATOM 183 CB PHE A 11 103.365 3.337 3.479 1.00 0.00 C ATOM 184 CG PHE A 11 102.405 3.955 2.494 1.00 0.00 C ATOM 185 CD1 PHE A 11 101.543 4.970 2.914 1.00 0.00 C ATOM 186 CD2 PHE A 11 102.356 3.496 1.172 1.00 0.00 C ATOM 187 CE1 PHE A 11 100.631 5.531 2.019 1.00 0.00 C ATOM 188 CE2 PHE A 11 101.446 4.059 0.273 1.00 0.00 C ATOM 189 CZ PHE A 11 100.581 5.076 0.696 1.00 0.00 C ATOM 0 H PHE A 11 103.162 3.553 6.010 1.00 0.00 H new ATOM 0 HA PHE A 11 101.590 2.210 3.934 1.00 0.00 H new ATOM 0 HB2 PHE A 11 103.821 4.109 4.099 1.00 0.00 H new ATOM 0 HB3 PHE A 11 104.175 2.831 2.953 1.00 0.00 H new ATOM 0 HD1 PHE A 11 101.582 5.322 3.934 1.00 0.00 H new ATOM 0 HD2 PHE A 11 103.020 2.708 0.848 1.00 0.00 H new ATOM 0 HE1 PHE A 11 99.965 6.315 2.347 1.00 0.00 H new ATOM 0 HE2 PHE A 11 101.410 3.710 -0.748 1.00 0.00 H new ATOM 0 HZ PHE A 11 99.876 5.509 0.002 1.00 0.00 H new ATOM 199 N LYS A 12 103.796 0.552 5.474 1.00 0.00 N ATOM 200 CA LYS A 12 104.464 -0.775 5.501 1.00 0.00 C ATOM 201 C LYS A 12 103.392 -1.821 5.766 1.00 0.00 C ATOM 202 O LYS A 12 103.470 -2.961 5.357 1.00 0.00 O ATOM 203 CB LYS A 12 105.557 -0.812 6.586 1.00 0.00 C ATOM 204 CG LYS A 12 104.959 -1.134 7.968 1.00 0.00 C ATOM 205 CD LYS A 12 104.903 -2.654 8.200 1.00 0.00 C ATOM 206 CE LYS A 12 105.057 -2.951 9.694 1.00 0.00 C ATOM 207 NZ LYS A 12 104.805 -4.399 9.941 1.00 0.00 N ATOM 0 H LYS A 12 103.775 1.054 6.362 1.00 0.00 H new ATOM 0 HA LYS A 12 104.956 -0.976 4.549 1.00 0.00 H new ATOM 0 HB2 LYS A 12 106.305 -1.561 6.327 1.00 0.00 H new ATOM 0 HB3 LYS A 12 106.069 0.150 6.623 1.00 0.00 H new ATOM 0 HG2 LYS A 12 105.560 -0.665 8.747 1.00 0.00 H new ATOM 0 HG3 LYS A 12 103.956 -0.713 8.042 1.00 0.00 H new ATOM 0 HD2 LYS A 12 103.957 -3.053 7.835 1.00 0.00 H new ATOM 0 HD3 LYS A 12 105.695 -3.148 7.637 1.00 0.00 H new ATOM 0 HE2 LYS A 12 106.060 -2.683 10.027 1.00 0.00 H new ATOM 0 HE3 LYS A 12 104.357 -2.346 10.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 104.909 -4.601 10.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 103.840 -4.640 9.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 105.490 -4.967 9.402 1.00 0.00 H new ATOM 221 N ILE A 13 102.370 -1.407 6.424 1.00 0.00 N ATOM 222 CA ILE A 13 101.236 -2.315 6.717 1.00 0.00 C ATOM 223 C ILE A 13 100.272 -2.228 5.543 1.00 0.00 C ATOM 224 O ILE A 13 99.437 -3.086 5.334 1.00 0.00 O ATOM 225 CB ILE A 13 100.540 -1.873 8.015 1.00 0.00 C ATOM 226 CG1 ILE A 13 100.497 -0.336 8.080 1.00 0.00 C ATOM 227 CG2 ILE A 13 101.310 -2.430 9.219 1.00 0.00 C ATOM 228 CD1 ILE A 13 100.317 0.150 9.526 1.00 0.00 C ATOM 0 H ILE A 13 102.262 -0.458 6.783 1.00 0.00 H new ATOM 0 HA ILE A 13 101.580 -3.341 6.851 1.00 0.00 H new ATOM 0 HB ILE A 13 99.520 -2.256 8.034 1.00 0.00 H new ATOM 0 HG12 ILE A 13 101.418 0.075 7.667 1.00 0.00 H new ATOM 0 HG13 ILE A 13 99.678 0.035 7.464 1.00 0.00 H new ATOM 0 HG21 ILE A 13 100.819 -2.118 10.141 1.00 0.00 H new ATOM 0 HG22 ILE A 13 101.328 -3.519 9.168 1.00 0.00 H new ATOM 0 HG23 ILE A 13 102.331 -2.049 9.205 1.00 0.00 H new ATOM 0 HD11 ILE A 13 100.290 1.240 9.543 1.00 0.00 H new ATOM 0 HD12 ILE A 13 99.383 -0.242 9.928 1.00 0.00 H new ATOM 0 HD13 ILE A 13 101.150 -0.202 10.134 1.00 0.00 H new ATOM 240 N GLN A 14 100.388 -1.176 4.777 1.00 0.00 N ATOM 241 CA GLN A 14 99.487 -0.990 3.605 1.00 0.00 C ATOM 242 C GLN A 14 100.230 -1.313 2.298 1.00 0.00 C ATOM 243 O GLN A 14 99.622 -1.437 1.253 1.00 0.00 O ATOM 244 CB GLN A 14 99.015 0.480 3.578 1.00 0.00 C ATOM 245 CG GLN A 14 99.482 1.170 2.300 1.00 0.00 C ATOM 246 CD GLN A 14 99.064 2.641 2.331 1.00 0.00 C ATOM 247 OE1 GLN A 14 99.511 3.392 3.173 1.00 0.00 O ATOM 248 NE2 GLN A 14 98.219 3.085 1.442 1.00 0.00 N ATOM 0 H GLN A 14 101.073 -0.433 4.915 1.00 0.00 H new ATOM 0 HA GLN A 14 98.634 -1.663 3.693 1.00 0.00 H new ATOM 0 HB2 GLN A 14 97.928 0.520 3.643 1.00 0.00 H new ATOM 0 HB3 GLN A 14 99.406 1.009 4.447 1.00 0.00 H new ATOM 0 HG2 GLN A 14 100.565 1.091 2.207 1.00 0.00 H new ATOM 0 HG3 GLN A 14 99.050 0.677 1.429 1.00 0.00 H new ATOM 0 HE21 GLN A 14 97.844 2.453 0.735 1.00 0.00 H new ATOM 0 HE22 GLN A 14 97.933 4.064 1.454 1.00 0.00 H new ATOM 257 N HIS A 15 101.536 -1.377 2.323 1.00 0.00 N ATOM 258 CA HIS A 15 102.277 -1.598 1.043 1.00 0.00 C ATOM 259 C HIS A 15 103.575 -2.397 1.239 1.00 0.00 C ATOM 260 O HIS A 15 104.411 -2.425 0.357 1.00 0.00 O ATOM 261 CB HIS A 15 102.647 -0.217 0.495 1.00 0.00 C ATOM 262 CG HIS A 15 101.757 0.154 -0.661 1.00 0.00 C ATOM 263 ND1 HIS A 15 101.863 -0.455 -1.901 1.00 0.00 N ATOM 264 CD2 HIS A 15 100.751 1.081 -0.784 1.00 0.00 C ATOM 265 CE1 HIS A 15 100.945 0.107 -2.708 1.00 0.00 C ATOM 266 NE2 HIS A 15 100.244 1.046 -2.076 1.00 0.00 N ATOM 0 H HIS A 15 102.114 -1.288 3.158 1.00 0.00 H new ATOM 0 HA HIS A 15 101.640 -2.170 0.368 1.00 0.00 H new ATOM 0 HB2 HIS A 15 102.556 0.529 1.284 1.00 0.00 H new ATOM 0 HB3 HIS A 15 103.688 -0.215 0.173 1.00 0.00 H new ATOM 0 HD2 HIS A 15 100.407 1.736 0.003 1.00 0.00 H new ATOM 0 HE1 HIS A 15 100.795 -0.169 -3.741 1.00 0.00 H new ATOM 0 HE2 HIS A 15 99.493 1.619 -2.460 1.00 0.00 H new ATOM 275 N MET A 16 103.771 -3.046 2.350 1.00 0.00 N ATOM 276 CA MET A 16 105.037 -3.825 2.522 1.00 0.00 C ATOM 277 C MET A 16 104.687 -5.304 2.647 1.00 0.00 C ATOM 278 O MET A 16 103.683 -5.667 3.228 1.00 0.00 O ATOM 279 CB MET A 16 105.810 -3.309 3.739 1.00 0.00 C ATOM 280 CG MET A 16 106.598 -2.064 3.314 1.00 0.00 C ATOM 281 SD MET A 16 107.987 -2.553 2.260 1.00 0.00 S ATOM 282 CE MET A 16 107.860 -1.197 1.068 1.00 0.00 C ATOM 0 H MET A 16 103.124 -3.075 3.138 1.00 0.00 H new ATOM 0 HA MET A 16 105.686 -3.697 1.656 1.00 0.00 H new ATOM 0 HB2 MET A 16 105.124 -3.066 4.550 1.00 0.00 H new ATOM 0 HB3 MET A 16 106.486 -4.077 4.113 1.00 0.00 H new ATOM 0 HG2 MET A 16 105.946 -1.375 2.777 1.00 0.00 H new ATOM 0 HG3 MET A 16 106.965 -1.536 4.194 1.00 0.00 H new ATOM 0 HE1 MET A 16 108.372 -1.474 0.146 1.00 0.00 H new ATOM 0 HE2 MET A 16 106.810 -0.998 0.854 1.00 0.00 H new ATOM 0 HE3 MET A 16 108.321 -0.302 1.485 1.00 0.00 H new ATOM 292 N GLN A 17 105.471 -6.159 2.039 1.00 0.00 N ATOM 293 CA GLN A 17 105.140 -7.612 2.046 1.00 0.00 C ATOM 294 C GLN A 17 106.125 -8.486 2.853 1.00 0.00 C ATOM 295 O GLN A 17 106.049 -9.696 2.774 1.00 0.00 O ATOM 296 CB GLN A 17 105.130 -8.094 0.593 1.00 0.00 C ATOM 297 CG GLN A 17 104.282 -9.366 0.475 1.00 0.00 C ATOM 298 CD GLN A 17 105.078 -10.467 -0.234 1.00 0.00 C ATOM 299 OE1 GLN A 17 105.945 -10.186 -1.038 1.00 0.00 O ATOM 300 NE2 GLN A 17 104.817 -11.717 0.034 1.00 0.00 N ATOM 0 H GLN A 17 106.325 -5.911 1.539 1.00 0.00 H new ATOM 0 HA GLN A 17 104.172 -7.719 2.535 1.00 0.00 H new ATOM 0 HB2 GLN A 17 104.727 -7.316 -0.055 1.00 0.00 H new ATOM 0 HB3 GLN A 17 106.148 -8.292 0.259 1.00 0.00 H new ATOM 0 HG2 GLN A 17 103.981 -9.705 1.466 1.00 0.00 H new ATOM 0 HG3 GLN A 17 103.368 -9.153 -0.080 1.00 0.00 H new ATOM 0 HE21 GLN A 17 104.089 -11.953 0.709 1.00 0.00 H new ATOM 0 HE22 GLN A 17 105.341 -12.458 -0.431 1.00 0.00 H new ATOM 309 N PRO A 18 107.024 -7.934 3.630 1.00 0.00 N ATOM 310 CA PRO A 18 107.966 -8.770 4.427 1.00 0.00 C ATOM 311 C PRO A 18 107.212 -9.829 5.238 1.00 0.00 C ATOM 312 O PRO A 18 107.740 -10.873 5.563 1.00 0.00 O ATOM 313 CB PRO A 18 108.657 -7.777 5.364 1.00 0.00 C ATOM 314 CG PRO A 18 108.509 -6.441 4.715 1.00 0.00 C ATOM 315 CD PRO A 18 107.251 -6.500 3.842 1.00 0.00 C ATOM 0 HA PRO A 18 108.668 -9.312 3.793 1.00 0.00 H new ATOM 0 HB2 PRO A 18 108.197 -7.786 6.352 1.00 0.00 H new ATOM 0 HB3 PRO A 18 109.708 -8.032 5.499 1.00 0.00 H new ATOM 0 HG2 PRO A 18 108.420 -5.656 5.466 1.00 0.00 H new ATOM 0 HG3 PRO A 18 109.386 -6.207 4.111 1.00 0.00 H new ATOM 0 HD2 PRO A 18 106.401 -6.032 4.338 1.00 0.00 H new ATOM 0 HD3 PRO A 18 107.397 -5.976 2.897 1.00 0.00 H new ATOM 323 N SER A 19 105.974 -9.554 5.561 1.00 0.00 N ATOM 324 CA SER A 19 105.157 -10.521 6.351 1.00 0.00 C ATOM 325 C SER A 19 103.959 -9.779 6.956 1.00 0.00 C ATOM 326 O SER A 19 103.863 -9.613 8.156 1.00 0.00 O ATOM 327 CB SER A 19 106.008 -11.125 7.475 1.00 0.00 C ATOM 328 OG SER A 19 106.986 -10.177 7.883 1.00 0.00 O ATOM 0 H SER A 19 105.491 -8.692 5.308 1.00 0.00 H new ATOM 0 HA SER A 19 104.808 -11.323 5.701 1.00 0.00 H new ATOM 0 HB2 SER A 19 105.375 -11.399 8.319 1.00 0.00 H new ATOM 0 HB3 SER A 19 106.492 -12.039 7.130 1.00 0.00 H new ATOM 0 HG SER A 19 107.531 -10.559 8.602 1.00 0.00 H new ATOM 334 N PRO A 20 103.056 -9.331 6.124 1.00 0.00 N ATOM 335 CA PRO A 20 101.844 -8.588 6.567 1.00 0.00 C ATOM 336 C PRO A 20 100.738 -9.533 7.047 1.00 0.00 C ATOM 337 O PRO A 20 99.843 -9.135 7.762 1.00 0.00 O ATOM 338 CB PRO A 20 101.413 -7.848 5.302 1.00 0.00 C ATOM 339 CG PRO A 20 101.845 -8.728 4.175 1.00 0.00 C ATOM 340 CD PRO A 20 103.090 -9.487 4.660 1.00 0.00 C ATOM 0 HA PRO A 20 102.042 -7.930 7.413 1.00 0.00 H new ATOM 0 HB2 PRO A 20 100.335 -7.687 5.287 1.00 0.00 H new ATOM 0 HB3 PRO A 20 101.883 -6.866 5.239 1.00 0.00 H new ATOM 0 HG2 PRO A 20 101.051 -9.422 3.900 1.00 0.00 H new ATOM 0 HG3 PRO A 20 102.073 -8.137 3.288 1.00 0.00 H new ATOM 0 HD2 PRO A 20 103.055 -10.537 4.370 1.00 0.00 H new ATOM 0 HD3 PRO A 20 104.003 -9.069 4.235 1.00 0.00 H new ATOM 348 N GLN A 21 100.813 -10.778 6.644 1.00 0.00 N ATOM 349 CA GLN A 21 99.798 -11.811 7.042 1.00 0.00 C ATOM 350 C GLN A 21 98.767 -11.972 5.924 1.00 0.00 C ATOM 351 O GLN A 21 97.576 -11.916 6.150 1.00 0.00 O ATOM 352 CB GLN A 21 99.083 -11.426 8.347 1.00 0.00 C ATOM 353 CG GLN A 21 100.116 -11.104 9.443 1.00 0.00 C ATOM 354 CD GLN A 21 100.034 -12.151 10.558 1.00 0.00 C ATOM 355 OE1 GLN A 21 99.992 -13.336 10.293 1.00 0.00 O ATOM 356 NE2 GLN A 21 100.008 -11.759 11.803 1.00 0.00 N ATOM 0 H GLN A 21 101.554 -11.133 6.040 1.00 0.00 H new ATOM 0 HA GLN A 21 100.322 -12.752 7.208 1.00 0.00 H new ATOM 0 HB2 GLN A 21 98.441 -10.562 8.177 1.00 0.00 H new ATOM 0 HB3 GLN A 21 98.439 -12.243 8.672 1.00 0.00 H new ATOM 0 HG2 GLN A 21 101.119 -11.091 9.017 1.00 0.00 H new ATOM 0 HG3 GLN A 21 99.930 -10.110 9.850 1.00 0.00 H new ATOM 0 HE21 GLN A 21 100.043 -10.764 12.025 1.00 0.00 H new ATOM 0 HE22 GLN A 21 99.952 -12.448 12.553 1.00 0.00 H new ATOM 365 N ALA A 22 99.224 -12.179 4.718 1.00 0.00 N ATOM 366 CA ALA A 22 98.285 -12.353 3.572 1.00 0.00 C ATOM 367 C ALA A 22 97.705 -11.006 3.176 1.00 0.00 C ATOM 368 O ALA A 22 97.204 -10.270 4.003 1.00 0.00 O ATOM 369 CB ALA A 22 97.131 -13.280 3.966 1.00 0.00 C ATOM 0 H ALA A 22 100.213 -12.235 4.476 1.00 0.00 H new ATOM 0 HA ALA A 22 98.836 -12.787 2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 22 96.454 -13.398 3.120 1.00 0.00 H new ATOM 0 HB2 ALA A 22 97.528 -14.254 4.251 1.00 0.00 H new ATOM 0 HB3 ALA A 22 96.589 -12.849 4.807 1.00 0.00 H new ATOM 375 N CYS A 23 97.734 -10.684 1.919 1.00 0.00 N ATOM 376 CA CYS A 23 97.145 -9.397 1.495 1.00 0.00 C ATOM 377 C CYS A 23 95.731 -9.338 2.028 1.00 0.00 C ATOM 378 O CYS A 23 95.209 -8.290 2.326 1.00 0.00 O ATOM 379 CB CYS A 23 97.095 -9.320 -0.011 1.00 0.00 C ATOM 380 SG CYS A 23 98.752 -9.595 -0.679 1.00 0.00 S ATOM 0 H CYS A 23 98.137 -11.252 1.174 1.00 0.00 H new ATOM 0 HA CYS A 23 97.747 -8.571 1.874 1.00 0.00 H new ATOM 0 HB2 CYS A 23 96.404 -10.067 -0.402 1.00 0.00 H new ATOM 0 HB3 CYS A 23 96.721 -8.345 -0.325 1.00 0.00 H new ATOM 385 N ASN A 24 95.103 -10.465 2.154 1.00 0.00 N ATOM 386 CA ASN A 24 93.722 -10.457 2.686 1.00 0.00 C ATOM 387 C ASN A 24 93.724 -9.668 3.997 1.00 0.00 C ATOM 388 O ASN A 24 92.938 -8.767 4.193 1.00 0.00 O ATOM 389 CB ASN A 24 93.255 -11.893 2.938 1.00 0.00 C ATOM 390 CG ASN A 24 91.959 -11.878 3.752 1.00 0.00 C ATOM 391 OD1 ASN A 24 90.884 -12.035 3.207 1.00 0.00 O ATOM 392 ND2 ASN A 24 92.016 -11.696 5.043 1.00 0.00 N ATOM 0 H ASN A 24 95.481 -11.382 1.915 1.00 0.00 H new ATOM 0 HA ASN A 24 93.042 -9.995 1.971 1.00 0.00 H new ATOM 0 HB2 ASN A 24 93.094 -12.405 1.989 1.00 0.00 H new ATOM 0 HB3 ASN A 24 94.026 -12.448 3.473 1.00 0.00 H new ATOM 0 HD21 ASN A 24 91.158 -11.686 5.595 1.00 0.00 H new ATOM 0 HD22 ASN A 24 92.918 -11.564 5.500 1.00 0.00 H new ATOM 399 N SER A 25 94.623 -9.992 4.886 1.00 0.00 N ATOM 400 CA SER A 25 94.691 -9.264 6.187 1.00 0.00 C ATOM 401 C SER A 25 95.459 -7.950 6.007 1.00 0.00 C ATOM 402 O SER A 25 95.116 -6.927 6.570 1.00 0.00 O ATOM 403 CB SER A 25 95.408 -10.134 7.220 1.00 0.00 C ATOM 404 OG SER A 25 95.079 -9.680 8.526 1.00 0.00 O ATOM 0 H SER A 25 95.316 -10.731 4.768 1.00 0.00 H new ATOM 0 HA SER A 25 93.680 -9.046 6.530 1.00 0.00 H new ATOM 0 HB2 SER A 25 95.115 -11.177 7.100 1.00 0.00 H new ATOM 0 HB3 SER A 25 96.486 -10.087 7.067 1.00 0.00 H new ATOM 0 HG SER A 25 95.536 -10.237 9.191 1.00 0.00 H new ATOM 410 N ALA A 26 96.489 -7.965 5.213 1.00 0.00 N ATOM 411 CA ALA A 26 97.267 -6.718 4.986 1.00 0.00 C ATOM 412 C ALA A 26 96.301 -5.634 4.552 1.00 0.00 C ATOM 413 O ALA A 26 96.369 -4.500 4.984 1.00 0.00 O ATOM 414 CB ALA A 26 98.287 -6.961 3.883 1.00 0.00 C ATOM 0 H ALA A 26 96.827 -8.786 4.711 1.00 0.00 H new ATOM 0 HA ALA A 26 97.787 -6.418 5.896 1.00 0.00 H new ATOM 0 HB1 ALA A 26 98.861 -6.050 3.711 1.00 0.00 H new ATOM 0 HB2 ALA A 26 98.961 -7.764 4.181 1.00 0.00 H new ATOM 0 HB3 ALA A 26 97.770 -7.243 2.965 1.00 0.00 H new ATOM 420 N MET A 27 95.391 -5.990 3.702 1.00 0.00 N ATOM 421 CA MET A 27 94.396 -5.010 3.226 1.00 0.00 C ATOM 422 C MET A 27 93.362 -4.788 4.327 1.00 0.00 C ATOM 423 O MET A 27 92.772 -3.732 4.432 1.00 0.00 O ATOM 424 CB MET A 27 93.720 -5.553 1.967 1.00 0.00 C ATOM 425 CG MET A 27 93.284 -4.384 1.078 1.00 0.00 C ATOM 426 SD MET A 27 91.770 -3.651 1.748 1.00 0.00 S ATOM 427 CE MET A 27 91.750 -2.167 0.712 1.00 0.00 C ATOM 0 H MET A 27 95.294 -6.928 3.314 1.00 0.00 H new ATOM 0 HA MET A 27 94.879 -4.062 2.987 1.00 0.00 H new ATOM 0 HB2 MET A 27 94.407 -6.201 1.423 1.00 0.00 H new ATOM 0 HB3 MET A 27 92.856 -6.160 2.238 1.00 0.00 H new ATOM 0 HG2 MET A 27 94.074 -3.634 1.031 1.00 0.00 H new ATOM 0 HG3 MET A 27 93.113 -4.732 0.059 1.00 0.00 H new ATOM 0 HE1 MET A 27 91.054 -1.440 1.131 1.00 0.00 H new ATOM 0 HE2 MET A 27 92.750 -1.734 0.677 1.00 0.00 H new ATOM 0 HE3 MET A 27 91.434 -2.432 -0.297 1.00 0.00 H new ATOM 437 N LYS A 28 93.142 -5.773 5.158 1.00 0.00 N ATOM 438 CA LYS A 28 92.146 -5.593 6.255 1.00 0.00 C ATOM 439 C LYS A 28 92.546 -4.382 7.094 1.00 0.00 C ATOM 440 O LYS A 28 91.711 -3.710 7.665 1.00 0.00 O ATOM 441 CB LYS A 28 92.101 -6.835 7.152 1.00 0.00 C ATOM 442 CG LYS A 28 91.329 -7.965 6.458 1.00 0.00 C ATOM 443 CD LYS A 28 89.850 -7.577 6.270 1.00 0.00 C ATOM 444 CE LYS A 28 89.553 -7.377 4.777 1.00 0.00 C ATOM 445 NZ LYS A 28 88.239 -6.690 4.621 1.00 0.00 N ATOM 0 H LYS A 28 93.602 -6.683 5.126 1.00 0.00 H new ATOM 0 HA LYS A 28 91.159 -5.442 5.817 1.00 0.00 H new ATOM 0 HB2 LYS A 28 93.115 -7.164 7.380 1.00 0.00 H new ATOM 0 HB3 LYS A 28 91.625 -6.589 8.101 1.00 0.00 H new ATOM 0 HG2 LYS A 28 91.780 -8.179 5.489 1.00 0.00 H new ATOM 0 HG3 LYS A 28 91.399 -8.877 7.050 1.00 0.00 H new ATOM 0 HD2 LYS A 28 89.205 -8.355 6.678 1.00 0.00 H new ATOM 0 HD3 LYS A 28 89.631 -6.662 6.820 1.00 0.00 H new ATOM 0 HE2 LYS A 28 90.343 -6.785 4.314 1.00 0.00 H new ATOM 0 HE3 LYS A 28 89.535 -8.340 4.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 87.653 -7.212 3.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 87.753 -6.658 5.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 88.393 -5.721 4.276 1.00 0.00 H new ATOM 459 N ASN A 29 93.814 -4.085 7.170 1.00 0.00 N ATOM 460 CA ASN A 29 94.238 -2.901 7.970 1.00 0.00 C ATOM 461 C ASN A 29 93.904 -1.638 7.175 1.00 0.00 C ATOM 462 O ASN A 29 93.618 -0.586 7.720 1.00 0.00 O ATOM 463 CB ASN A 29 95.746 -2.968 8.222 1.00 0.00 C ATOM 464 CG ASN A 29 96.153 -1.856 9.190 1.00 0.00 C ATOM 465 OD1 ASN A 29 97.294 -1.778 9.600 1.00 0.00 O ATOM 466 ND2 ASN A 29 95.260 -0.985 9.576 1.00 0.00 N ATOM 0 H ASN A 29 94.567 -4.604 6.719 1.00 0.00 H new ATOM 0 HA ASN A 29 93.719 -2.888 8.929 1.00 0.00 H new ATOM 0 HB2 ASN A 29 96.013 -3.940 8.636 1.00 0.00 H new ATOM 0 HB3 ASN A 29 96.287 -2.862 7.282 1.00 0.00 H new ATOM 0 HD21 ASN A 29 95.520 -0.239 10.222 1.00 0.00 H new ATOM 0 HD22 ASN A 29 94.302 -1.050 9.232 1.00 0.00 H new ATOM 473 N ILE A 30 93.936 -1.746 5.882 1.00 0.00 N ATOM 474 CA ILE A 30 93.631 -0.576 5.022 1.00 0.00 C ATOM 475 C ILE A 30 92.118 -0.365 4.960 1.00 0.00 C ATOM 476 O ILE A 30 91.643 0.743 4.827 1.00 0.00 O ATOM 477 CB ILE A 30 94.187 -0.847 3.624 1.00 0.00 C ATOM 478 CG1 ILE A 30 95.581 -1.465 3.772 1.00 0.00 C ATOM 479 CG2 ILE A 30 94.275 0.460 2.814 1.00 0.00 C ATOM 480 CD1 ILE A 30 96.223 -1.623 2.394 1.00 0.00 C ATOM 0 H ILE A 30 94.163 -2.603 5.378 1.00 0.00 H new ATOM 0 HA ILE A 30 94.089 0.325 5.431 1.00 0.00 H new ATOM 0 HB ILE A 30 93.525 -1.530 3.092 1.00 0.00 H new ATOM 0 HG12 ILE A 30 96.205 -0.833 4.404 1.00 0.00 H new ATOM 0 HG13 ILE A 30 95.509 -2.435 4.264 1.00 0.00 H new ATOM 0 HG21 ILE A 30 94.673 0.247 1.822 1.00 0.00 H new ATOM 0 HG22 ILE A 30 93.281 0.898 2.720 1.00 0.00 H new ATOM 0 HG23 ILE A 30 94.933 1.162 3.326 1.00 0.00 H new ATOM 0 HD11 ILE A 30 97.214 -2.063 2.503 1.00 0.00 H new ATOM 0 HD12 ILE A 30 95.603 -2.273 1.776 1.00 0.00 H new ATOM 0 HD13 ILE A 30 96.310 -0.646 1.919 1.00 0.00 H new ATOM 492 N ASN A 31 91.356 -1.418 5.069 1.00 0.00 N ATOM 493 CA ASN A 31 89.875 -1.272 5.029 1.00 0.00 C ATOM 494 C ASN A 31 89.399 -0.752 6.385 1.00 0.00 C ATOM 495 O ASN A 31 88.299 -0.256 6.523 1.00 0.00 O ATOM 496 CB ASN A 31 89.232 -2.634 4.724 1.00 0.00 C ATOM 497 CG ASN A 31 88.835 -3.343 6.024 1.00 0.00 C ATOM 498 OD1 ASN A 31 89.535 -3.264 7.013 1.00 0.00 O ATOM 499 ND2 ASN A 31 87.730 -4.037 6.062 1.00 0.00 N ATOM 0 H ASN A 31 91.695 -2.373 5.184 1.00 0.00 H new ATOM 0 HA ASN A 31 89.586 -0.569 4.248 1.00 0.00 H new ATOM 0 HB2 ASN A 31 88.352 -2.495 4.095 1.00 0.00 H new ATOM 0 HB3 ASN A 31 89.930 -3.255 4.163 1.00 0.00 H new ATOM 0 HD21 ASN A 31 87.455 -4.512 6.922 1.00 0.00 H new ATOM 0 HD22 ASN A 31 87.141 -4.104 5.232 1.00 0.00 H new ATOM 506 N LYS A 32 90.225 -0.856 7.387 1.00 0.00 N ATOM 507 CA LYS A 32 89.819 -0.365 8.729 1.00 0.00 C ATOM 508 C LYS A 32 90.091 1.137 8.806 1.00 0.00 C ATOM 509 O LYS A 32 89.355 1.880 9.424 1.00 0.00 O ATOM 510 CB LYS A 32 90.595 -1.134 9.818 1.00 0.00 C ATOM 511 CG LYS A 32 91.932 -0.447 10.146 1.00 0.00 C ATOM 512 CD LYS A 32 91.747 0.539 11.308 1.00 0.00 C ATOM 513 CE LYS A 32 91.908 -0.198 12.641 1.00 0.00 C ATOM 514 NZ LYS A 32 93.354 -0.449 12.897 1.00 0.00 N ATOM 0 H LYS A 32 91.161 -1.259 7.334 1.00 0.00 H new ATOM 0 HA LYS A 32 88.755 -0.536 8.893 1.00 0.00 H new ATOM 0 HB2 LYS A 32 89.988 -1.201 10.721 1.00 0.00 H new ATOM 0 HB3 LYS A 32 90.781 -2.154 9.482 1.00 0.00 H new ATOM 0 HG2 LYS A 32 92.679 -1.195 10.409 1.00 0.00 H new ATOM 0 HG3 LYS A 32 92.304 0.080 9.267 1.00 0.00 H new ATOM 0 HD2 LYS A 32 92.479 1.343 11.235 1.00 0.00 H new ATOM 0 HD3 LYS A 32 90.761 1.000 11.253 1.00 0.00 H new ATOM 0 HE2 LYS A 32 91.482 0.395 13.450 1.00 0.00 H new ATOM 0 HE3 LYS A 32 91.363 -1.142 12.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 93.499 -0.646 13.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 93.669 -1.267 12.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 93.905 0.390 12.625 1.00 0.00 H new ATOM 528 N HIS A 33 91.143 1.592 8.178 1.00 0.00 N ATOM 529 CA HIS A 33 91.450 3.049 8.216 1.00 0.00 C ATOM 530 C HIS A 33 90.727 3.763 7.061 1.00 0.00 C ATOM 531 O HIS A 33 90.528 4.961 7.095 1.00 0.00 O ATOM 532 CB HIS A 33 92.973 3.246 8.123 1.00 0.00 C ATOM 533 CG HIS A 33 93.337 3.996 6.871 1.00 0.00 C ATOM 534 ND1 HIS A 33 93.287 5.381 6.792 1.00 0.00 N ATOM 535 CD2 HIS A 33 93.767 3.565 5.643 1.00 0.00 C ATOM 536 CE1 HIS A 33 93.679 5.730 5.553 1.00 0.00 C ATOM 537 NE2 HIS A 33 93.982 4.661 4.815 1.00 0.00 N ATOM 0 H HIS A 33 91.798 1.021 7.644 1.00 0.00 H new ATOM 0 HA HIS A 33 91.099 3.481 9.153 1.00 0.00 H new ATOM 0 HB2 HIS A 33 93.328 3.793 8.997 1.00 0.00 H new ATOM 0 HB3 HIS A 33 93.471 2.277 8.130 1.00 0.00 H new ATOM 0 HD2 HIS A 33 93.916 2.533 5.362 1.00 0.00 H new ATOM 0 HE1 HIS A 33 93.741 6.749 5.200 1.00 0.00 H new ATOM 0 HE2 HIS A 33 94.304 4.650 3.847 1.00 0.00 H new ATOM 546 N THR A 34 90.321 3.038 6.046 1.00 0.00 N ATOM 547 CA THR A 34 89.600 3.684 4.903 1.00 0.00 C ATOM 548 C THR A 34 88.108 3.370 5.000 1.00 0.00 C ATOM 549 O THR A 34 87.304 3.901 4.260 1.00 0.00 O ATOM 550 CB THR A 34 90.121 3.139 3.568 1.00 0.00 C ATOM 551 OG1 THR A 34 89.989 1.725 3.555 1.00 0.00 O ATOM 552 CG2 THR A 34 91.590 3.517 3.377 1.00 0.00 C ATOM 0 H THR A 34 90.457 2.031 5.959 1.00 0.00 H new ATOM 0 HA THR A 34 89.769 4.760 4.951 1.00 0.00 H new ATOM 0 HB THR A 34 89.538 3.573 2.755 1.00 0.00 H new ATOM 0 HG1 THR A 34 90.850 1.314 3.780 1.00 0.00 H new ATOM 0 HG21 THR A 34 91.946 3.123 2.425 1.00 0.00 H new ATOM 0 HG22 THR A 34 91.690 4.602 3.381 1.00 0.00 H new ATOM 0 HG23 THR A 34 92.183 3.095 4.189 1.00 0.00 H new ATOM 560 N LYS A 35 87.729 2.500 5.894 1.00 0.00 N ATOM 561 CA LYS A 35 86.287 2.148 6.015 1.00 0.00 C ATOM 562 C LYS A 35 85.781 1.650 4.657 1.00 0.00 C ATOM 563 O LYS A 35 84.613 1.754 4.340 1.00 0.00 O ATOM 564 CB LYS A 35 85.490 3.385 6.438 1.00 0.00 C ATOM 565 CG LYS A 35 86.239 4.121 7.552 1.00 0.00 C ATOM 566 CD LYS A 35 86.482 3.166 8.723 1.00 0.00 C ATOM 567 CE LYS A 35 86.869 3.970 9.967 1.00 0.00 C ATOM 568 NZ LYS A 35 87.841 5.033 9.588 1.00 0.00 N ATOM 0 H LYS A 35 88.352 2.020 6.543 1.00 0.00 H new ATOM 0 HA LYS A 35 86.159 1.367 6.765 1.00 0.00 H new ATOM 0 HB2 LYS A 35 85.346 4.047 5.584 1.00 0.00 H new ATOM 0 HB3 LYS A 35 84.499 3.091 6.785 1.00 0.00 H new ATOM 0 HG2 LYS A 35 87.189 4.501 7.176 1.00 0.00 H new ATOM 0 HG3 LYS A 35 85.661 4.982 7.886 1.00 0.00 H new ATOM 0 HD2 LYS A 35 85.584 2.580 8.921 1.00 0.00 H new ATOM 0 HD3 LYS A 35 87.274 2.460 8.472 1.00 0.00 H new ATOM 0 HE2 LYS A 35 85.981 4.417 10.415 1.00 0.00 H new ATOM 0 HE3 LYS A 35 87.308 3.312 10.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 88.391 5.314 10.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 88.484 4.670 8.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 87.327 5.858 9.219 1.00 0.00 H new ATOM 582 N ARG A 36 86.660 1.117 3.852 1.00 0.00 N ATOM 583 CA ARG A 36 86.252 0.615 2.509 1.00 0.00 C ATOM 584 C ARG A 36 87.388 -0.236 1.936 1.00 0.00 C ATOM 585 O ARG A 36 88.541 -0.034 2.263 1.00 0.00 O ATOM 586 CB ARG A 36 85.980 1.811 1.591 1.00 0.00 C ATOM 587 CG ARG A 36 86.226 1.424 0.127 1.00 0.00 C ATOM 588 CD ARG A 36 85.163 0.430 -0.350 1.00 0.00 C ATOM 589 NE ARG A 36 84.412 1.021 -1.494 1.00 0.00 N ATOM 590 CZ ARG A 36 83.654 0.263 -2.238 1.00 0.00 C ATOM 591 NH1 ARG A 36 83.554 -1.013 -1.981 1.00 0.00 N ATOM 592 NH2 ARG A 36 82.997 0.780 -3.240 1.00 0.00 N ATOM 0 H ARG A 36 87.651 1.007 4.069 1.00 0.00 H new ATOM 0 HA ARG A 36 85.349 0.010 2.587 1.00 0.00 H new ATOM 0 HB2 ARG A 36 84.951 2.149 1.717 1.00 0.00 H new ATOM 0 HB3 ARG A 36 86.625 2.645 1.867 1.00 0.00 H new ATOM 0 HG2 ARG A 36 86.206 2.316 -0.500 1.00 0.00 H new ATOM 0 HG3 ARG A 36 87.218 0.983 0.023 1.00 0.00 H new ATOM 0 HD2 ARG A 36 85.634 -0.505 -0.654 1.00 0.00 H new ATOM 0 HD3 ARG A 36 84.479 0.193 0.465 1.00 0.00 H new ATOM 0 HE ARG A 36 84.491 2.018 -1.695 1.00 0.00 H new ATOM 0 HH11 ARG A 36 84.068 -1.417 -1.199 1.00 0.00 H new ATOM 0 HH12 ARG A 36 82.961 -1.605 -2.563 1.00 0.00 H new ATOM 0 HH21 ARG A 36 83.076 1.777 -3.442 1.00 0.00 H new ATOM 0 HH22 ARG A 36 82.405 0.187 -3.822 1.00 0.00 H new ATOM 606 N CYS A 37 87.090 -1.177 1.075 1.00 0.00 N ATOM 607 CA CYS A 37 88.177 -2.006 0.496 1.00 0.00 C ATOM 608 C CYS A 37 88.635 -1.403 -0.832 1.00 0.00 C ATOM 609 O CYS A 37 88.032 -1.612 -1.866 1.00 0.00 O ATOM 610 CB CYS A 37 87.672 -3.429 0.275 1.00 0.00 C ATOM 611 SG CYS A 37 88.103 -4.431 1.722 1.00 0.00 S ATOM 0 H CYS A 37 86.148 -1.401 0.754 1.00 0.00 H new ATOM 0 HA CYS A 37 89.021 -2.029 1.185 1.00 0.00 H new ATOM 0 HB2 CYS A 37 86.592 -3.428 0.125 1.00 0.00 H new ATOM 0 HB3 CYS A 37 88.119 -3.853 -0.624 1.00 0.00 H new ATOM 616 N LYS A 38 89.698 -0.649 -0.790 1.00 0.00 N ATOM 617 CA LYS A 38 90.249 0.000 -2.021 1.00 0.00 C ATOM 618 C LYS A 38 90.043 -0.884 -3.261 1.00 0.00 C ATOM 619 O LYS A 38 90.121 -0.406 -4.375 1.00 0.00 O ATOM 620 CB LYS A 38 91.751 0.242 -1.827 1.00 0.00 C ATOM 621 CG LYS A 38 91.969 1.421 -0.871 1.00 0.00 C ATOM 622 CD LYS A 38 91.552 2.736 -1.549 1.00 0.00 C ATOM 623 CE LYS A 38 92.386 3.892 -0.988 1.00 0.00 C ATOM 624 NZ LYS A 38 91.725 5.186 -1.317 1.00 0.00 N ATOM 0 H LYS A 38 90.221 -0.449 0.062 1.00 0.00 H new ATOM 0 HA LYS A 38 89.722 0.941 -2.178 1.00 0.00 H new ATOM 0 HB2 LYS A 38 92.224 -0.655 -1.427 1.00 0.00 H new ATOM 0 HB3 LYS A 38 92.222 0.449 -2.788 1.00 0.00 H new ATOM 0 HG2 LYS A 38 91.389 1.273 0.040 1.00 0.00 H new ATOM 0 HG3 LYS A 38 93.017 1.471 -0.577 1.00 0.00 H new ATOM 0 HD2 LYS A 38 91.694 2.662 -2.627 1.00 0.00 H new ATOM 0 HD3 LYS A 38 90.492 2.924 -1.379 1.00 0.00 H new ATOM 0 HE2 LYS A 38 92.490 3.789 0.092 1.00 0.00 H new ATOM 0 HE3 LYS A 38 93.391 3.867 -1.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 92.291 5.971 -0.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 91.648 5.284 -2.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 90.775 5.208 -0.895 1.00 0.00 H new ATOM 638 N ASP A 39 89.787 -2.160 -3.091 1.00 0.00 N ATOM 639 CA ASP A 39 89.583 -3.052 -4.272 1.00 0.00 C ATOM 640 C ASP A 39 90.941 -3.510 -4.809 1.00 0.00 C ATOM 641 O ASP A 39 91.058 -4.557 -5.410 1.00 0.00 O ATOM 642 CB ASP A 39 88.815 -2.310 -5.376 1.00 0.00 C ATOM 643 CG ASP A 39 87.966 -3.305 -6.173 1.00 0.00 C ATOM 644 OD1 ASP A 39 88.538 -4.055 -6.946 1.00 0.00 O ATOM 645 OD2 ASP A 39 86.759 -3.299 -5.995 1.00 0.00 O ATOM 0 H ASP A 39 89.711 -2.620 -2.184 1.00 0.00 H new ATOM 0 HA ASP A 39 89.001 -3.920 -3.962 1.00 0.00 H new ATOM 0 HB2 ASP A 39 88.177 -1.543 -4.936 1.00 0.00 H new ATOM 0 HB3 ASP A 39 89.514 -1.801 -6.039 1.00 0.00 H new ATOM 650 N LEU A 40 91.970 -2.737 -4.597 1.00 0.00 N ATOM 651 CA LEU A 40 93.316 -3.138 -5.098 1.00 0.00 C ATOM 652 C LEU A 40 94.386 -2.605 -4.140 1.00 0.00 C ATOM 653 O LEU A 40 94.287 -1.506 -3.631 1.00 0.00 O ATOM 654 CB LEU A 40 93.533 -2.555 -6.509 1.00 0.00 C ATOM 655 CG LEU A 40 93.880 -3.658 -7.524 1.00 0.00 C ATOM 656 CD1 LEU A 40 95.194 -4.356 -7.140 1.00 0.00 C ATOM 657 CD2 LEU A 40 92.741 -4.683 -7.585 1.00 0.00 C ATOM 0 H LEU A 40 91.938 -1.847 -4.100 1.00 0.00 H new ATOM 0 HA LEU A 40 93.385 -4.225 -5.149 1.00 0.00 H new ATOM 0 HB2 LEU A 40 92.632 -2.032 -6.831 1.00 0.00 H new ATOM 0 HB3 LEU A 40 94.336 -1.819 -6.481 1.00 0.00 H new ATOM 0 HG LEU A 40 94.008 -3.200 -8.505 1.00 0.00 H new ATOM 0 HD11 LEU A 40 95.421 -5.132 -7.871 1.00 0.00 H new ATOM 0 HD12 LEU A 40 96.003 -3.625 -7.124 1.00 0.00 H new ATOM 0 HD13 LEU A 40 95.092 -4.806 -6.153 1.00 0.00 H new ATOM 0 HD21 LEU A 40 92.991 -5.462 -8.305 1.00 0.00 H new ATOM 0 HD22 LEU A 40 92.601 -5.130 -6.601 1.00 0.00 H new ATOM 0 HD23 LEU A 40 91.821 -4.186 -7.893 1.00 0.00 H new ATOM 669 N ASN A 41 95.406 -3.379 -3.890 1.00 0.00 N ATOM 670 CA ASN A 41 96.482 -2.926 -2.967 1.00 0.00 C ATOM 671 C ASN A 41 97.780 -3.648 -3.321 1.00 0.00 C ATOM 672 O ASN A 41 97.850 -4.858 -3.310 1.00 0.00 O ATOM 673 CB ASN A 41 96.091 -3.256 -1.527 1.00 0.00 C ATOM 674 CG ASN A 41 94.840 -2.464 -1.145 1.00 0.00 C ATOM 675 OD1 ASN A 41 93.733 -2.928 -1.335 1.00 0.00 O ATOM 676 ND2 ASN A 41 94.969 -1.280 -0.612 1.00 0.00 N ATOM 0 H ASN A 41 95.540 -4.309 -4.287 1.00 0.00 H new ATOM 0 HA ASN A 41 96.622 -1.849 -3.065 1.00 0.00 H new ATOM 0 HB2 ASN A 41 95.903 -4.325 -1.426 1.00 0.00 H new ATOM 0 HB3 ASN A 41 96.910 -3.011 -0.851 1.00 0.00 H new ATOM 0 HD21 ASN A 41 94.141 -0.744 -0.355 1.00 0.00 H new ATOM 0 HD22 ASN A 41 95.898 -0.891 -0.453 1.00 0.00 H new ATOM 683 N THR A 42 98.807 -2.914 -3.642 1.00 0.00 N ATOM 684 CA THR A 42 100.101 -3.557 -4.003 1.00 0.00 C ATOM 685 C THR A 42 101.058 -3.473 -2.812 1.00 0.00 C ATOM 686 O THR A 42 100.982 -2.570 -2.005 1.00 0.00 O ATOM 687 CB THR A 42 100.702 -2.821 -5.214 1.00 0.00 C ATOM 688 OG1 THR A 42 100.103 -1.539 -5.325 1.00 0.00 O ATOM 689 CG2 THR A 42 100.438 -3.607 -6.505 1.00 0.00 C ATOM 0 H THR A 42 98.807 -1.894 -3.670 1.00 0.00 H new ATOM 0 HA THR A 42 99.941 -4.605 -4.257 1.00 0.00 H new ATOM 0 HB THR A 42 101.778 -2.726 -5.069 1.00 0.00 H new ATOM 0 HG1 THR A 42 100.785 -0.879 -5.571 1.00 0.00 H new ATOM 0 HG21 THR A 42 100.870 -3.072 -7.351 1.00 0.00 H new ATOM 0 HG22 THR A 42 100.893 -4.595 -6.429 1.00 0.00 H new ATOM 0 HG23 THR A 42 99.363 -3.713 -6.653 1.00 0.00 H new ATOM 697 N PHE A 43 101.957 -4.412 -2.701 1.00 0.00 N ATOM 698 CA PHE A 43 102.931 -4.401 -1.574 1.00 0.00 C ATOM 699 C PHE A 43 104.320 -4.709 -2.132 1.00 0.00 C ATOM 700 O PHE A 43 104.455 -5.191 -3.237 1.00 0.00 O ATOM 701 CB PHE A 43 102.555 -5.468 -0.543 1.00 0.00 C ATOM 702 CG PHE A 43 101.216 -5.141 0.080 1.00 0.00 C ATOM 703 CD1 PHE A 43 100.044 -5.283 -0.669 1.00 0.00 C ATOM 704 CD2 PHE A 43 101.147 -4.713 1.413 1.00 0.00 C ATOM 705 CE1 PHE A 43 98.803 -4.998 -0.088 1.00 0.00 C ATOM 706 CE2 PHE A 43 99.905 -4.431 1.995 1.00 0.00 C ATOM 707 CZ PHE A 43 98.734 -4.573 1.243 1.00 0.00 C ATOM 0 H PHE A 43 102.059 -5.193 -3.349 1.00 0.00 H new ATOM 0 HA PHE A 43 102.921 -3.424 -1.091 1.00 0.00 H new ATOM 0 HB2 PHE A 43 102.513 -6.447 -1.020 1.00 0.00 H new ATOM 0 HB3 PHE A 43 103.321 -5.523 0.231 1.00 0.00 H new ATOM 0 HD1 PHE A 43 100.096 -5.613 -1.696 1.00 0.00 H new ATOM 0 HD2 PHE A 43 102.052 -4.601 1.991 1.00 0.00 H new ATOM 0 HE1 PHE A 43 97.898 -5.106 -0.668 1.00 0.00 H new ATOM 0 HE2 PHE A 43 99.851 -4.104 3.023 1.00 0.00 H new ATOM 0 HZ PHE A 43 97.776 -4.354 1.690 1.00 0.00 H new ATOM 717 N LEU A 44 105.348 -4.445 -1.375 1.00 0.00 N ATOM 718 CA LEU A 44 106.735 -4.729 -1.849 1.00 0.00 C ATOM 719 C LEU A 44 107.367 -5.715 -0.865 1.00 0.00 C ATOM 720 O LEU A 44 106.979 -5.763 0.284 1.00 0.00 O ATOM 721 CB LEU A 44 107.535 -3.420 -1.920 1.00 0.00 C ATOM 722 CG LEU A 44 106.787 -2.413 -2.808 1.00 0.00 C ATOM 723 CD1 LEU A 44 107.605 -1.122 -2.953 1.00 0.00 C ATOM 724 CD2 LEU A 44 106.571 -3.025 -4.190 1.00 0.00 C ATOM 0 H LEU A 44 105.288 -4.041 -0.440 1.00 0.00 H new ATOM 0 HA LEU A 44 106.729 -5.164 -2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 44 107.671 -3.009 -0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 44 108.529 -3.610 -2.324 1.00 0.00 H new ATOM 0 HG LEU A 44 105.828 -2.178 -2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 44 107.064 -0.417 -3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 44 107.764 -0.680 -1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 44 108.569 -1.351 -3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 44 106.041 -2.314 -4.824 1.00 0.00 H new ATOM 0 HD22 LEU A 44 107.536 -3.261 -4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 44 105.982 -3.937 -4.096 1.00 0.00 H new ATOM 736 N HIS A 45 108.313 -6.524 -1.283 1.00 0.00 N ATOM 737 CA HIS A 45 108.901 -7.509 -0.313 1.00 0.00 C ATOM 738 C HIS A 45 110.359 -7.171 -0.023 1.00 0.00 C ATOM 739 O HIS A 45 111.262 -7.904 -0.375 1.00 0.00 O ATOM 740 CB HIS A 45 108.807 -8.933 -0.879 1.00 0.00 C ATOM 741 CG HIS A 45 108.728 -9.922 0.254 1.00 0.00 C ATOM 742 ND1 HIS A 45 107.816 -10.969 0.260 1.00 0.00 N ATOM 743 CD2 HIS A 45 109.440 -10.038 1.422 1.00 0.00 C ATOM 744 CE1 HIS A 45 108.002 -11.662 1.399 1.00 0.00 C ATOM 745 NE2 HIS A 45 108.978 -11.136 2.139 1.00 0.00 N ATOM 0 H HIS A 45 108.697 -6.548 -2.228 1.00 0.00 H new ATOM 0 HA HIS A 45 108.333 -7.452 0.616 1.00 0.00 H new ATOM 0 HB2 HIS A 45 107.928 -9.024 -1.517 1.00 0.00 H new ATOM 0 HB3 HIS A 45 109.676 -9.146 -1.501 1.00 0.00 H new ATOM 0 HD1 HIS A 45 107.130 -11.175 -0.466 1.00 0.00 H new ATOM 0 HD2 HIS A 45 110.236 -9.378 1.735 1.00 0.00 H new ATOM 0 HE1 HIS A 45 107.431 -12.535 1.678 1.00 0.00 H new ATOM 754 N GLU A 46 110.598 -6.072 0.629 1.00 0.00 N ATOM 755 CA GLU A 46 111.998 -5.696 0.955 1.00 0.00 C ATOM 756 C GLU A 46 111.992 -4.904 2.272 1.00 0.00 C ATOM 757 O GLU A 46 111.183 -4.019 2.452 1.00 0.00 O ATOM 758 CB GLU A 46 112.554 -4.846 -0.192 1.00 0.00 C ATOM 759 CG GLU A 46 114.022 -4.510 0.069 1.00 0.00 C ATOM 760 CD GLU A 46 114.885 -5.744 -0.202 1.00 0.00 C ATOM 761 OE1 GLU A 46 114.326 -6.765 -0.568 1.00 0.00 O ATOM 762 OE2 GLU A 46 116.091 -5.647 -0.038 1.00 0.00 O ATOM 0 H GLU A 46 109.885 -5.417 0.951 1.00 0.00 H new ATOM 0 HA GLU A 46 112.627 -6.578 1.075 1.00 0.00 H new ATOM 0 HB2 GLU A 46 112.458 -5.385 -1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 46 111.974 -3.928 -0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 46 114.337 -3.686 -0.571 1.00 0.00 H new ATOM 0 HG3 GLU A 46 114.153 -4.181 1.100 1.00 0.00 H new ATOM 769 N PRO A 47 112.863 -5.222 3.205 1.00 0.00 N ATOM 770 CA PRO A 47 112.908 -4.510 4.515 1.00 0.00 C ATOM 771 C PRO A 47 112.948 -2.989 4.357 1.00 0.00 C ATOM 772 O PRO A 47 113.782 -2.443 3.662 1.00 0.00 O ATOM 773 CB PRO A 47 114.192 -5.000 5.177 1.00 0.00 C ATOM 774 CG PRO A 47 114.515 -6.306 4.524 1.00 0.00 C ATOM 775 CD PRO A 47 113.883 -6.284 3.127 1.00 0.00 C ATOM 0 HA PRO A 47 112.013 -4.719 5.100 1.00 0.00 H new ATOM 0 HB2 PRO A 47 115.001 -4.283 5.039 1.00 0.00 H new ATOM 0 HB3 PRO A 47 114.055 -5.123 6.251 1.00 0.00 H new ATOM 0 HG2 PRO A 47 115.594 -6.445 4.456 1.00 0.00 H new ATOM 0 HG3 PRO A 47 114.123 -7.137 5.111 1.00 0.00 H new ATOM 0 HD2 PRO A 47 114.625 -6.067 2.358 1.00 0.00 H new ATOM 0 HD3 PRO A 47 113.437 -7.247 2.877 1.00 0.00 H new ATOM 783 N PHE A 48 112.050 -2.310 5.007 1.00 0.00 N ATOM 784 CA PHE A 48 112.002 -0.822 4.927 1.00 0.00 C ATOM 785 C PHE A 48 113.407 -0.256 5.045 1.00 0.00 C ATOM 786 O PHE A 48 113.655 0.857 4.666 1.00 0.00 O ATOM 787 CB PHE A 48 111.097 -0.298 6.040 1.00 0.00 C ATOM 788 CG PHE A 48 110.030 -1.344 6.294 1.00 0.00 C ATOM 789 CD1 PHE A 48 109.529 -2.095 5.218 1.00 0.00 C ATOM 790 CD2 PHE A 48 109.568 -1.597 7.592 1.00 0.00 C ATOM 791 CE1 PHE A 48 108.580 -3.089 5.437 1.00 0.00 C ATOM 792 CE2 PHE A 48 108.602 -2.594 7.805 1.00 0.00 C ATOM 793 CZ PHE A 48 108.113 -3.339 6.727 1.00 0.00 C ATOM 0 H PHE A 48 111.334 -2.728 5.601 1.00 0.00 H new ATOM 0 HA PHE A 48 111.595 -0.507 3.966 1.00 0.00 H new ATOM 0 HB2 PHE A 48 111.673 -0.111 6.946 1.00 0.00 H new ATOM 0 HB3 PHE A 48 110.643 0.650 5.750 1.00 0.00 H new ATOM 0 HD1 PHE A 48 109.882 -1.900 4.216 1.00 0.00 H new ATOM 0 HD2 PHE A 48 109.953 -1.028 8.425 1.00 0.00 H new ATOM 0 HE1 PHE A 48 108.204 -3.668 4.606 1.00 0.00 H new ATOM 0 HE2 PHE A 48 108.236 -2.786 8.803 1.00 0.00 H new ATOM 0 HZ PHE A 48 107.373 -4.108 6.894 1.00 0.00 H new ATOM 803 N SER A 49 114.331 -1.017 5.548 1.00 0.00 N ATOM 804 CA SER A 49 115.725 -0.513 5.650 1.00 0.00 C ATOM 805 C SER A 49 116.350 -0.556 4.254 1.00 0.00 C ATOM 806 O SER A 49 117.103 0.320 3.866 1.00 0.00 O ATOM 807 CB SER A 49 116.526 -1.401 6.602 1.00 0.00 C ATOM 808 OG SER A 49 117.870 -0.940 6.655 1.00 0.00 O ATOM 0 H SER A 49 114.183 -1.965 5.893 1.00 0.00 H new ATOM 0 HA SER A 49 115.731 0.507 6.035 1.00 0.00 H new ATOM 0 HB2 SER A 49 116.083 -1.380 7.597 1.00 0.00 H new ATOM 0 HB3 SER A 49 116.498 -2.436 6.263 1.00 0.00 H new ATOM 0 HG SER A 49 118.386 -1.506 7.266 1.00 0.00 H new ATOM 814 N SER A 50 116.017 -1.559 3.480 1.00 0.00 N ATOM 815 CA SER A 50 116.570 -1.649 2.104 1.00 0.00 C ATOM 816 C SER A 50 115.686 -0.809 1.188 1.00 0.00 C ATOM 817 O SER A 50 116.164 -0.064 0.360 1.00 0.00 O ATOM 818 CB SER A 50 116.583 -3.110 1.647 1.00 0.00 C ATOM 819 OG SER A 50 117.919 -3.597 1.679 1.00 0.00 O ATOM 0 H SER A 50 115.387 -2.316 3.746 1.00 0.00 H new ATOM 0 HA SER A 50 117.594 -1.277 2.075 1.00 0.00 H new ATOM 0 HB2 SER A 50 115.948 -3.712 2.296 1.00 0.00 H new ATOM 0 HB3 SER A 50 116.177 -3.192 0.639 1.00 0.00 H new ATOM 0 HG SER A 50 117.933 -4.533 1.389 1.00 0.00 H new ATOM 825 N VAL A 51 114.394 -0.895 1.361 1.00 0.00 N ATOM 826 CA VAL A 51 113.482 -0.066 0.529 1.00 0.00 C ATOM 827 C VAL A 51 113.759 1.386 0.902 1.00 0.00 C ATOM 828 O VAL A 51 113.661 2.289 0.096 1.00 0.00 O ATOM 829 CB VAL A 51 112.019 -0.414 0.848 1.00 0.00 C ATOM 830 CG1 VAL A 51 111.147 -0.284 -0.414 1.00 0.00 C ATOM 831 CG2 VAL A 51 111.944 -1.851 1.374 1.00 0.00 C ATOM 0 H VAL A 51 113.935 -1.502 2.040 1.00 0.00 H new ATOM 0 HA VAL A 51 113.647 -0.243 -0.534 1.00 0.00 H new ATOM 0 HB VAL A 51 111.648 0.279 1.603 1.00 0.00 H new ATOM 0 HG11 VAL A 51 110.114 -0.534 -0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 51 111.195 0.740 -0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 51 111.514 -0.966 -1.181 1.00 0.00 H new ATOM 0 HG21 VAL A 51 110.908 -2.102 1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 51 112.325 -2.536 0.617 1.00 0.00 H new ATOM 0 HG23 VAL A 51 112.546 -1.939 2.279 1.00 0.00 H new ATOM 841 N ALA A 52 114.129 1.598 2.137 1.00 0.00 N ATOM 842 CA ALA A 52 114.449 2.968 2.607 1.00 0.00 C ATOM 843 C ALA A 52 115.576 3.504 1.731 1.00 0.00 C ATOM 844 O ALA A 52 115.458 4.539 1.106 1.00 0.00 O ATOM 845 CB ALA A 52 114.916 2.915 4.066 1.00 0.00 C ATOM 0 H ALA A 52 114.223 0.869 2.844 1.00 0.00 H new ATOM 0 HA ALA A 52 113.571 3.611 2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 52 115.151 3.922 4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 52 114.124 2.495 4.686 1.00 0.00 H new ATOM 0 HB3 ALA A 52 115.806 2.290 4.141 1.00 0.00 H new ATOM 851 N ALA A 53 116.666 2.785 1.664 1.00 0.00 N ATOM 852 CA ALA A 53 117.796 3.232 0.807 1.00 0.00 C ATOM 853 C ALA A 53 117.334 3.216 -0.649 1.00 0.00 C ATOM 854 O ALA A 53 117.754 4.023 -1.454 1.00 0.00 O ATOM 855 CB ALA A 53 118.984 2.284 0.981 1.00 0.00 C ATOM 0 H ALA A 53 116.819 1.910 2.166 1.00 0.00 H new ATOM 0 HA ALA A 53 118.105 4.238 1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 53 119.809 2.616 0.351 1.00 0.00 H new ATOM 0 HB2 ALA A 53 119.300 2.285 2.024 1.00 0.00 H new ATOM 0 HB3 ALA A 53 118.690 1.275 0.692 1.00 0.00 H new ATOM 861 N THR A 54 116.455 2.310 -0.988 1.00 0.00 N ATOM 862 CA THR A 54 115.951 2.256 -2.385 1.00 0.00 C ATOM 863 C THR A 54 115.279 3.587 -2.695 1.00 0.00 C ATOM 864 O THR A 54 115.344 4.088 -3.801 1.00 0.00 O ATOM 865 CB THR A 54 114.928 1.118 -2.534 1.00 0.00 C ATOM 866 OG1 THR A 54 115.473 -0.077 -1.994 1.00 0.00 O ATOM 867 CG2 THR A 54 114.598 0.904 -4.013 1.00 0.00 C ATOM 0 H THR A 54 116.067 1.608 -0.357 1.00 0.00 H new ATOM 0 HA THR A 54 116.776 2.073 -3.073 1.00 0.00 H new ATOM 0 HB THR A 54 114.016 1.382 -1.999 1.00 0.00 H new ATOM 0 HG1 THR A 54 115.618 0.035 -1.031 1.00 0.00 H new ATOM 0 HG21 THR A 54 113.873 0.096 -4.111 1.00 0.00 H new ATOM 0 HG22 THR A 54 114.179 1.820 -4.429 1.00 0.00 H new ATOM 0 HG23 THR A 54 115.507 0.643 -4.555 1.00 0.00 H new ATOM 875 N CYS A 55 114.639 4.178 -1.722 1.00 0.00 N ATOM 876 CA CYS A 55 113.975 5.476 -1.978 1.00 0.00 C ATOM 877 C CYS A 55 115.027 6.585 -1.990 1.00 0.00 C ATOM 878 O CYS A 55 114.730 7.740 -1.754 1.00 0.00 O ATOM 879 CB CYS A 55 112.921 5.748 -0.904 1.00 0.00 C ATOM 880 SG CYS A 55 111.576 6.723 -1.625 1.00 0.00 S ATOM 0 H CYS A 55 114.551 3.818 -0.772 1.00 0.00 H new ATOM 0 HA CYS A 55 113.475 5.446 -2.946 1.00 0.00 H new ATOM 0 HB2 CYS A 55 112.534 4.808 -0.510 1.00 0.00 H new ATOM 0 HB3 CYS A 55 113.367 6.285 -0.067 1.00 0.00 H new ATOM 885 N GLN A 56 116.257 6.236 -2.266 1.00 0.00 N ATOM 886 CA GLN A 56 117.345 7.257 -2.299 1.00 0.00 C ATOM 887 C GLN A 56 117.901 7.379 -3.722 1.00 0.00 C ATOM 888 O GLN A 56 118.635 8.298 -4.028 1.00 0.00 O ATOM 889 CB GLN A 56 118.468 6.829 -1.352 1.00 0.00 C ATOM 890 CG GLN A 56 119.411 8.010 -1.111 1.00 0.00 C ATOM 891 CD GLN A 56 120.463 7.619 -0.071 1.00 0.00 C ATOM 892 OE1 GLN A 56 120.211 7.676 1.116 1.00 0.00 O ATOM 893 NE2 GLN A 56 121.641 7.222 -0.470 1.00 0.00 N ATOM 0 H GLN A 56 116.555 5.282 -2.471 1.00 0.00 H new ATOM 0 HA GLN A 56 116.944 8.221 -1.986 1.00 0.00 H new ATOM 0 HB2 GLN A 56 118.049 6.486 -0.406 1.00 0.00 H new ATOM 0 HB3 GLN A 56 119.019 5.991 -1.780 1.00 0.00 H new ATOM 0 HG2 GLN A 56 119.896 8.298 -2.044 1.00 0.00 H new ATOM 0 HG3 GLN A 56 118.846 8.875 -0.765 1.00 0.00 H new ATOM 0 HE21 GLN A 56 121.853 7.174 -1.467 1.00 0.00 H new ATOM 0 HE22 GLN A 56 122.350 6.960 0.215 1.00 0.00 H new ATOM 902 N THR A 57 117.566 6.467 -4.599 1.00 0.00 N ATOM 903 CA THR A 57 118.096 6.562 -5.996 1.00 0.00 C ATOM 904 C THR A 57 117.438 7.749 -6.707 1.00 0.00 C ATOM 905 O THR A 57 116.383 8.205 -6.316 1.00 0.00 O ATOM 906 CB THR A 57 117.790 5.267 -6.766 1.00 0.00 C ATOM 907 OG1 THR A 57 117.326 5.587 -8.071 1.00 0.00 O ATOM 908 CG2 THR A 57 116.717 4.466 -6.032 1.00 0.00 C ATOM 0 H THR A 57 116.957 5.670 -4.414 1.00 0.00 H new ATOM 0 HA THR A 57 119.176 6.706 -5.961 1.00 0.00 H new ATOM 0 HB THR A 57 118.700 4.672 -6.836 1.00 0.00 H new ATOM 0 HG1 THR A 57 117.133 4.761 -8.561 1.00 0.00 H new ATOM 0 HG21 THR A 57 116.506 3.550 -6.584 1.00 0.00 H new ATOM 0 HG22 THR A 57 117.071 4.214 -5.032 1.00 0.00 H new ATOM 0 HG23 THR A 57 115.807 5.061 -5.955 1.00 0.00 H new ATOM 916 N PRO A 58 118.054 8.245 -7.749 1.00 0.00 N ATOM 917 CA PRO A 58 117.519 9.393 -8.526 1.00 0.00 C ATOM 918 C PRO A 58 115.990 9.360 -8.613 1.00 0.00 C ATOM 919 O PRO A 58 115.408 8.417 -9.112 1.00 0.00 O ATOM 920 CB PRO A 58 118.153 9.197 -9.902 1.00 0.00 C ATOM 921 CG PRO A 58 119.471 8.534 -9.632 1.00 0.00 C ATOM 922 CD PRO A 58 119.330 7.768 -8.306 1.00 0.00 C ATOM 0 HA PRO A 58 117.752 10.356 -8.072 1.00 0.00 H new ATOM 0 HB2 PRO A 58 117.524 8.578 -10.542 1.00 0.00 H new ATOM 0 HB3 PRO A 58 118.288 10.150 -10.414 1.00 0.00 H new ATOM 0 HG2 PRO A 58 119.733 7.855 -10.443 1.00 0.00 H new ATOM 0 HG3 PRO A 58 120.268 9.275 -9.566 1.00 0.00 H new ATOM 0 HD2 PRO A 58 119.316 6.690 -8.468 1.00 0.00 H new ATOM 0 HD3 PRO A 58 120.162 7.979 -7.634 1.00 0.00 H new ATOM 930 N LYS A 59 115.334 10.374 -8.118 1.00 0.00 N ATOM 931 CA LYS A 59 113.844 10.386 -8.159 1.00 0.00 C ATOM 932 C LYS A 59 113.354 10.891 -9.517 1.00 0.00 C ATOM 933 O LYS A 59 114.068 10.864 -10.500 1.00 0.00 O ATOM 934 CB LYS A 59 113.305 11.298 -7.052 1.00 0.00 C ATOM 935 CG LYS A 59 114.020 12.654 -7.090 1.00 0.00 C ATOM 936 CD LYS A 59 115.069 12.714 -5.977 1.00 0.00 C ATOM 937 CE LYS A 59 116.056 13.847 -6.262 1.00 0.00 C ATOM 938 NZ LYS A 59 115.306 15.114 -6.492 1.00 0.00 N ATOM 0 H LYS A 59 115.764 11.193 -7.688 1.00 0.00 H new ATOM 0 HA LYS A 59 113.481 9.370 -8.006 1.00 0.00 H new ATOM 0 HB2 LYS A 59 112.232 11.441 -7.178 1.00 0.00 H new ATOM 0 HB3 LYS A 59 113.452 10.828 -6.080 1.00 0.00 H new ATOM 0 HG2 LYS A 59 114.496 12.798 -8.060 1.00 0.00 H new ATOM 0 HG3 LYS A 59 113.298 13.461 -6.966 1.00 0.00 H new ATOM 0 HD2 LYS A 59 114.584 12.875 -5.014 1.00 0.00 H new ATOM 0 HD3 LYS A 59 115.599 11.764 -5.912 1.00 0.00 H new ATOM 0 HE2 LYS A 59 116.742 13.965 -5.423 1.00 0.00 H new ATOM 0 HE3 LYS A 59 116.660 13.606 -7.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 115.917 15.925 -6.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 115.012 15.167 -7.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 114.465 15.135 -5.881 1.00 0.00 H new ATOM 952 N ILE A 60 112.130 11.337 -9.573 1.00 0.00 N ATOM 953 CA ILE A 60 111.560 11.833 -10.857 1.00 0.00 C ATOM 954 C ILE A 60 110.418 12.805 -10.550 1.00 0.00 C ATOM 955 O ILE A 60 109.726 12.661 -9.564 1.00 0.00 O ATOM 956 CB ILE A 60 111.016 10.641 -11.667 1.00 0.00 C ATOM 957 CG1 ILE A 60 110.834 9.423 -10.739 1.00 0.00 C ATOM 958 CG2 ILE A 60 111.997 10.285 -12.790 1.00 0.00 C ATOM 959 CD1 ILE A 60 109.634 8.587 -11.192 1.00 0.00 C ATOM 0 H ILE A 60 111.494 11.379 -8.776 1.00 0.00 H new ATOM 0 HA ILE A 60 112.332 12.341 -11.435 1.00 0.00 H new ATOM 0 HB ILE A 60 110.054 10.914 -12.101 1.00 0.00 H new ATOM 0 HG12 ILE A 60 111.736 8.812 -10.748 1.00 0.00 H new ATOM 0 HG13 ILE A 60 110.686 9.758 -9.712 1.00 0.00 H new ATOM 0 HG21 ILE A 60 111.607 9.441 -13.360 1.00 0.00 H new ATOM 0 HG22 ILE A 60 112.120 11.143 -13.451 1.00 0.00 H new ATOM 0 HG23 ILE A 60 112.962 10.017 -12.359 1.00 0.00 H new ATOM 0 HD11 ILE A 60 109.516 7.730 -10.529 1.00 0.00 H new ATOM 0 HD12 ILE A 60 108.732 9.198 -11.159 1.00 0.00 H new ATOM 0 HD13 ILE A 60 109.798 8.237 -12.211 1.00 0.00 H new ATOM 971 N ALA A 61 110.214 13.791 -11.384 1.00 0.00 N ATOM 972 CA ALA A 61 109.114 14.766 -11.128 1.00 0.00 C ATOM 973 C ALA A 61 107.824 14.012 -10.808 1.00 0.00 C ATOM 974 O ALA A 61 106.996 13.783 -11.667 1.00 0.00 O ATOM 975 CB ALA A 61 108.893 15.637 -12.364 1.00 0.00 C ATOM 0 H ALA A 61 110.760 13.963 -12.228 1.00 0.00 H new ATOM 0 HA ALA A 61 109.390 15.398 -10.284 1.00 0.00 H new ATOM 0 HB1 ALA A 61 108.089 16.346 -12.170 1.00 0.00 H new ATOM 0 HB2 ALA A 61 109.809 16.181 -12.594 1.00 0.00 H new ATOM 0 HB3 ALA A 61 108.624 15.006 -13.211 1.00 0.00 H new ATOM 981 N CYS A 62 107.648 13.627 -9.576 1.00 0.00 N ATOM 982 CA CYS A 62 106.415 12.891 -9.187 1.00 0.00 C ATOM 983 C CYS A 62 105.195 13.581 -9.796 1.00 0.00 C ATOM 984 O CYS A 62 104.789 13.286 -10.902 1.00 0.00 O ATOM 985 CB CYS A 62 106.292 12.898 -7.666 1.00 0.00 C ATOM 986 SG CYS A 62 107.621 11.909 -6.952 1.00 0.00 S ATOM 0 H CYS A 62 108.310 13.792 -8.817 1.00 0.00 H new ATOM 0 HA CYS A 62 106.469 11.865 -9.550 1.00 0.00 H new ATOM 0 HB2 CYS A 62 106.343 13.920 -7.291 1.00 0.00 H new ATOM 0 HB3 CYS A 62 105.324 12.496 -7.367 1.00 0.00 H new ATOM 991 N LYS A 63 104.610 14.500 -9.081 1.00 0.00 N ATOM 992 CA LYS A 63 103.419 15.211 -9.618 1.00 0.00 C ATOM 993 C LYS A 63 103.781 15.868 -10.948 1.00 0.00 C ATOM 994 O LYS A 63 103.425 15.395 -12.009 1.00 0.00 O ATOM 995 CB LYS A 63 102.979 16.287 -8.622 1.00 0.00 C ATOM 996 CG LYS A 63 102.244 15.633 -7.451 1.00 0.00 C ATOM 997 CD LYS A 63 101.826 16.707 -6.445 1.00 0.00 C ATOM 998 CE LYS A 63 101.310 16.039 -5.170 1.00 0.00 C ATOM 999 NZ LYS A 63 100.754 17.077 -4.255 1.00 0.00 N ATOM 0 H LYS A 63 104.905 14.789 -8.148 1.00 0.00 H new ATOM 0 HA LYS A 63 102.606 14.501 -9.770 1.00 0.00 H new ATOM 0 HB2 LYS A 63 103.847 16.837 -8.258 1.00 0.00 H new ATOM 0 HB3 LYS A 63 102.328 17.009 -9.115 1.00 0.00 H new ATOM 0 HG2 LYS A 63 101.366 15.097 -7.813 1.00 0.00 H new ATOM 0 HG3 LYS A 63 102.889 14.899 -6.968 1.00 0.00 H new ATOM 0 HD2 LYS A 63 102.673 17.352 -6.213 1.00 0.00 H new ATOM 0 HD3 LYS A 63 101.051 17.341 -6.875 1.00 0.00 H new ATOM 0 HE2 LYS A 63 100.541 15.306 -5.416 1.00 0.00 H new ATOM 0 HE3 LYS A 63 102.118 15.499 -4.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 100.403 16.623 -3.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 101.499 17.760 -4.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 99.971 17.573 -4.727 1.00 0.00 H new ATOM 1013 N ASN A 64 104.492 16.953 -10.890 1.00 0.00 N ATOM 1014 CA ASN A 64 104.900 17.662 -12.133 1.00 0.00 C ATOM 1015 C ASN A 64 106.204 18.394 -11.849 1.00 0.00 C ATOM 1016 O ASN A 64 106.509 19.413 -12.437 1.00 0.00 O ATOM 1017 CB ASN A 64 103.823 18.672 -12.522 1.00 0.00 C ATOM 1018 CG ASN A 64 102.660 17.947 -13.202 1.00 0.00 C ATOM 1019 OD1 ASN A 64 102.614 17.850 -14.413 1.00 0.00 O ATOM 1020 ND2 ASN A 64 101.710 17.432 -12.470 1.00 0.00 N ATOM 0 H ASN A 64 104.813 17.386 -10.024 1.00 0.00 H new ATOM 0 HA ASN A 64 105.031 16.953 -12.950 1.00 0.00 H new ATOM 0 HB2 ASN A 64 103.468 19.199 -11.636 1.00 0.00 H new ATOM 0 HB3 ASN A 64 104.240 19.422 -13.194 1.00 0.00 H new ATOM 0 HD21 ASN A 64 100.929 16.948 -12.914 1.00 0.00 H new ATOM 0 HD22 ASN A 64 101.748 17.513 -11.454 1.00 0.00 H new ATOM 1027 N GLY A 65 106.967 17.878 -10.931 1.00 0.00 N ATOM 1028 CA GLY A 65 108.256 18.524 -10.567 1.00 0.00 C ATOM 1029 C GLY A 65 108.510 18.320 -9.074 1.00 0.00 C ATOM 1030 O GLY A 65 109.402 18.914 -8.502 1.00 0.00 O ATOM 0 H GLY A 65 106.751 17.027 -10.411 1.00 0.00 H new ATOM 0 HA2 GLY A 65 109.071 18.094 -11.150 1.00 0.00 H new ATOM 0 HA3 GLY A 65 108.223 19.588 -10.802 1.00 0.00 H new ATOM 1034 N ASP A 66 107.732 17.485 -8.432 1.00 0.00 N ATOM 1035 CA ASP A 66 107.942 17.252 -6.973 1.00 0.00 C ATOM 1036 C ASP A 66 109.268 16.516 -6.768 1.00 0.00 C ATOM 1037 O ASP A 66 110.009 16.794 -5.846 1.00 0.00 O ATOM 1038 CB ASP A 66 106.793 16.399 -6.419 1.00 0.00 C ATOM 1039 CG ASP A 66 105.942 17.232 -5.456 1.00 0.00 C ATOM 1040 OD1 ASP A 66 105.370 18.214 -5.899 1.00 0.00 O ATOM 1041 OD2 ASP A 66 105.877 16.872 -4.292 1.00 0.00 O ATOM 0 H ASP A 66 106.966 16.959 -8.852 1.00 0.00 H new ATOM 0 HA ASP A 66 107.967 18.208 -6.449 1.00 0.00 H new ATOM 0 HB2 ASP A 66 106.175 16.030 -7.238 1.00 0.00 H new ATOM 0 HB3 ASP A 66 107.193 15.526 -5.903 1.00 0.00 H new ATOM 1046 N LYS A 67 109.570 15.576 -7.620 1.00 0.00 N ATOM 1047 CA LYS A 67 110.843 14.820 -7.474 1.00 0.00 C ATOM 1048 C LYS A 67 110.852 14.103 -6.119 1.00 0.00 C ATOM 1049 O LYS A 67 111.820 14.158 -5.387 1.00 0.00 O ATOM 1050 CB LYS A 67 112.036 15.790 -7.560 1.00 0.00 C ATOM 1051 CG LYS A 67 111.663 17.013 -8.409 1.00 0.00 C ATOM 1052 CD LYS A 67 112.915 17.561 -9.100 1.00 0.00 C ATOM 1053 CE LYS A 67 112.563 18.846 -9.852 1.00 0.00 C ATOM 1054 NZ LYS A 67 113.737 19.289 -10.655 1.00 0.00 N ATOM 0 H LYS A 67 108.989 15.299 -8.411 1.00 0.00 H new ATOM 0 HA LYS A 67 110.925 14.085 -8.275 1.00 0.00 H new ATOM 0 HB2 LYS A 67 112.329 16.108 -6.559 1.00 0.00 H new ATOM 0 HB3 LYS A 67 112.896 15.283 -7.997 1.00 0.00 H new ATOM 0 HG2 LYS A 67 110.916 16.737 -9.153 1.00 0.00 H new ATOM 0 HG3 LYS A 67 111.217 17.783 -7.779 1.00 0.00 H new ATOM 0 HD2 LYS A 67 113.692 17.760 -8.362 1.00 0.00 H new ATOM 0 HD3 LYS A 67 113.315 16.820 -9.792 1.00 0.00 H new ATOM 0 HE2 LYS A 67 111.706 18.675 -10.504 1.00 0.00 H new ATOM 0 HE3 LYS A 67 112.276 19.626 -9.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 113.498 20.163 -11.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 114.543 19.468 -10.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 113.991 18.547 -11.338 1.00 0.00 H new ATOM 1068 N ASN A 68 109.773 13.442 -5.769 1.00 0.00 N ATOM 1069 CA ASN A 68 109.727 12.737 -4.446 1.00 0.00 C ATOM 1070 C ASN A 68 109.537 11.223 -4.634 1.00 0.00 C ATOM 1071 O ASN A 68 109.359 10.497 -3.667 1.00 0.00 O ATOM 1072 CB ASN A 68 108.559 13.292 -3.626 1.00 0.00 C ATOM 1073 CG ASN A 68 108.752 12.935 -2.150 1.00 0.00 C ATOM 1074 OD1 ASN A 68 108.715 11.777 -1.784 1.00 0.00 O ATOM 1075 ND2 ASN A 68 108.959 13.887 -1.283 1.00 0.00 N ATOM 0 H ASN A 68 108.929 13.360 -6.336 1.00 0.00 H new ATOM 0 HA ASN A 68 110.671 12.905 -3.928 1.00 0.00 H new ATOM 0 HB2 ASN A 68 108.500 14.374 -3.744 1.00 0.00 H new ATOM 0 HB3 ASN A 68 107.618 12.880 -3.990 1.00 0.00 H new ATOM 0 HD21 ASN A 68 109.090 13.660 -0.297 1.00 0.00 H new ATOM 0 HD22 ASN A 68 108.990 14.859 -1.591 1.00 0.00 H new ATOM 1082 N CYS A 69 109.579 10.735 -5.856 1.00 0.00 N ATOM 1083 CA CYS A 69 109.401 9.276 -6.091 1.00 0.00 C ATOM 1084 C CYS A 69 110.773 8.640 -6.276 1.00 0.00 C ATOM 1085 O CYS A 69 111.752 9.319 -6.493 1.00 0.00 O ATOM 1086 CB CYS A 69 108.554 9.058 -7.345 1.00 0.00 C ATOM 1087 SG CYS A 69 107.016 10.002 -7.209 1.00 0.00 S ATOM 0 H CYS A 69 109.730 11.292 -6.697 1.00 0.00 H new ATOM 0 HA CYS A 69 108.895 8.820 -5.240 1.00 0.00 H new ATOM 0 HB2 CYS A 69 109.108 9.372 -8.230 1.00 0.00 H new ATOM 0 HB3 CYS A 69 108.332 7.998 -7.467 1.00 0.00 H new ATOM 1092 N HIS A 70 110.861 7.348 -6.189 1.00 0.00 N ATOM 1093 CA HIS A 70 112.185 6.687 -6.354 1.00 0.00 C ATOM 1094 C HIS A 70 111.973 5.300 -6.927 1.00 0.00 C ATOM 1095 O HIS A 70 111.327 4.467 -6.327 1.00 0.00 O ATOM 1096 CB HIS A 70 112.860 6.544 -4.994 1.00 0.00 C ATOM 1097 CG HIS A 70 113.568 7.814 -4.616 1.00 0.00 C ATOM 1098 ND1 HIS A 70 114.949 7.889 -4.513 1.00 0.00 N ATOM 1099 CD2 HIS A 70 113.099 9.058 -4.293 1.00 0.00 C ATOM 1100 CE1 HIS A 70 115.260 9.145 -4.141 1.00 0.00 C ATOM 1101 NE2 HIS A 70 114.168 9.895 -3.994 1.00 0.00 N ATOM 0 H HIS A 70 110.078 6.719 -6.011 1.00 0.00 H new ATOM 0 HA HIS A 70 112.808 7.287 -7.017 1.00 0.00 H new ATOM 0 HB2 HIS A 70 112.115 6.298 -4.237 1.00 0.00 H new ATOM 0 HB3 HIS A 70 113.572 5.719 -5.021 1.00 0.00 H new ATOM 0 HD2 HIS A 70 112.058 9.346 -4.273 1.00 0.00 H new ATOM 0 HE1 HIS A 70 116.267 9.500 -3.982 1.00 0.00 H new ATOM 0 HE2 HIS A 70 114.126 10.877 -3.720 1.00 0.00 H new ATOM 1110 N GLN A 71 112.517 5.041 -8.072 1.00 0.00 N ATOM 1111 CA GLN A 71 112.343 3.696 -8.683 1.00 0.00 C ATOM 1112 C GLN A 71 113.516 2.792 -8.305 1.00 0.00 C ATOM 1113 O GLN A 71 114.667 3.176 -8.368 1.00 0.00 O ATOM 1114 CB GLN A 71 112.207 3.848 -10.204 1.00 0.00 C ATOM 1115 CG GLN A 71 113.039 2.795 -10.952 1.00 0.00 C ATOM 1116 CD GLN A 71 114.516 3.197 -10.936 1.00 0.00 C ATOM 1117 OE1 GLN A 71 114.855 4.294 -10.537 1.00 0.00 O ATOM 1118 NE2 GLN A 71 115.414 2.350 -11.357 1.00 0.00 N ATOM 0 H GLN A 71 113.076 5.699 -8.616 1.00 0.00 H new ATOM 0 HA GLN A 71 111.436 3.226 -8.303 1.00 0.00 H new ATOM 0 HB2 GLN A 71 111.159 3.754 -10.488 1.00 0.00 H new ATOM 0 HB3 GLN A 71 112.529 4.846 -10.501 1.00 0.00 H new ATOM 0 HG2 GLN A 71 112.913 1.819 -10.484 1.00 0.00 H new ATOM 0 HG3 GLN A 71 112.688 2.704 -11.980 1.00 0.00 H new ATOM 0 HE21 GLN A 71 115.130 1.429 -11.692 1.00 0.00 H new ATOM 0 HE22 GLN A 71 116.401 2.608 -11.351 1.00 0.00 H new ATOM 1127 N SER A 72 113.216 1.587 -7.903 1.00 0.00 N ATOM 1128 CA SER A 72 114.287 0.634 -7.510 1.00 0.00 C ATOM 1129 C SER A 72 115.306 0.518 -8.644 1.00 0.00 C ATOM 1130 O SER A 72 114.957 0.512 -9.808 1.00 0.00 O ATOM 1131 CB SER A 72 113.669 -0.738 -7.238 1.00 0.00 C ATOM 1132 OG SER A 72 114.629 -1.749 -7.514 1.00 0.00 O ATOM 0 H SER A 72 112.267 1.221 -7.830 1.00 0.00 H new ATOM 0 HA SER A 72 114.785 0.995 -6.610 1.00 0.00 H new ATOM 0 HB2 SER A 72 113.343 -0.803 -6.200 1.00 0.00 H new ATOM 0 HB3 SER A 72 112.785 -0.881 -7.859 1.00 0.00 H new ATOM 0 HG SER A 72 114.207 -2.470 -8.026 1.00 0.00 H new ATOM 1138 N HIS A 73 116.563 0.424 -8.315 1.00 0.00 N ATOM 1139 CA HIS A 73 117.604 0.307 -9.373 1.00 0.00 C ATOM 1140 C HIS A 73 117.582 -1.107 -9.953 1.00 0.00 C ATOM 1141 O HIS A 73 118.558 -1.583 -10.497 1.00 0.00 O ATOM 1142 CB HIS A 73 118.975 0.579 -8.759 1.00 0.00 C ATOM 1143 CG HIS A 73 119.963 0.904 -9.846 1.00 0.00 C ATOM 1144 ND1 HIS A 73 119.829 2.023 -10.657 1.00 0.00 N ATOM 1145 CD2 HIS A 73 121.104 0.267 -10.270 1.00 0.00 C ATOM 1146 CE1 HIS A 73 120.864 2.025 -11.519 1.00 0.00 C ATOM 1147 NE2 HIS A 73 121.667 0.978 -11.323 1.00 0.00 N ATOM 0 H HIS A 73 116.915 0.423 -7.358 1.00 0.00 H new ATOM 0 HA HIS A 73 117.405 1.029 -10.165 1.00 0.00 H new ATOM 0 HB2 HIS A 73 118.910 1.408 -8.054 1.00 0.00 H new ATOM 0 HB3 HIS A 73 119.312 -0.292 -8.197 1.00 0.00 H new ATOM 0 HD2 HIS A 73 121.502 -0.645 -9.850 1.00 0.00 H new ATOM 0 HE1 HIS A 73 121.024 2.780 -12.275 1.00 0.00 H new ATOM 0 HE2 HIS A 73 122.517 0.747 -11.838 1.00 0.00 H new ATOM 1156 N GLY A 74 116.475 -1.783 -9.836 1.00 0.00 N ATOM 1157 CA GLY A 74 116.390 -3.169 -10.376 1.00 0.00 C ATOM 1158 C GLY A 74 115.061 -3.800 -9.961 1.00 0.00 C ATOM 1159 O GLY A 74 114.222 -3.160 -9.358 1.00 0.00 O ATOM 0 H GLY A 74 115.625 -1.437 -9.390 1.00 0.00 H new ATOM 0 HA2 GLY A 74 116.473 -3.152 -11.463 1.00 0.00 H new ATOM 0 HA3 GLY A 74 117.221 -3.767 -10.002 1.00 0.00 H new ATOM 1163 N PRO A 75 114.871 -5.049 -10.287 1.00 0.00 N ATOM 1164 CA PRO A 75 113.623 -5.789 -9.952 1.00 0.00 C ATOM 1165 C PRO A 75 113.581 -6.239 -8.487 1.00 0.00 C ATOM 1166 O PRO A 75 114.448 -6.954 -8.026 1.00 0.00 O ATOM 1167 CB PRO A 75 113.669 -7.000 -10.887 1.00 0.00 C ATOM 1168 CG PRO A 75 115.124 -7.253 -11.124 1.00 0.00 C ATOM 1169 CD PRO A 75 115.831 -5.897 -11.015 1.00 0.00 C ATOM 0 HA PRO A 75 112.736 -5.169 -10.078 1.00 0.00 H new ATOM 0 HB2 PRO A 75 113.187 -7.866 -10.434 1.00 0.00 H new ATOM 0 HB3 PRO A 75 113.147 -6.797 -11.822 1.00 0.00 H new ATOM 0 HG2 PRO A 75 115.519 -7.955 -10.390 1.00 0.00 H new ATOM 0 HG3 PRO A 75 115.285 -7.695 -12.107 1.00 0.00 H new ATOM 0 HD2 PRO A 75 116.775 -5.982 -10.477 1.00 0.00 H new ATOM 0 HD3 PRO A 75 116.060 -5.486 -11.998 1.00 0.00 H new ATOM 1177 N VAL A 76 112.574 -5.833 -7.755 1.00 0.00 N ATOM 1178 CA VAL A 76 112.470 -6.244 -6.324 1.00 0.00 C ATOM 1179 C VAL A 76 111.341 -7.263 -6.196 1.00 0.00 C ATOM 1180 O VAL A 76 110.299 -7.128 -6.810 1.00 0.00 O ATOM 1181 CB VAL A 76 112.154 -5.017 -5.450 1.00 0.00 C ATOM 1182 CG1 VAL A 76 111.359 -4.000 -6.261 1.00 0.00 C ATOM 1183 CG2 VAL A 76 111.343 -5.443 -4.220 1.00 0.00 C ATOM 0 H VAL A 76 111.819 -5.234 -8.088 1.00 0.00 H new ATOM 0 HA VAL A 76 113.413 -6.680 -5.993 1.00 0.00 H new ATOM 0 HB VAL A 76 113.090 -4.565 -5.120 1.00 0.00 H new ATOM 0 HG11 VAL A 76 111.137 -3.133 -5.639 1.00 0.00 H new ATOM 0 HG12 VAL A 76 111.944 -3.687 -7.126 1.00 0.00 H new ATOM 0 HG13 VAL A 76 110.427 -4.453 -6.599 1.00 0.00 H new ATOM 0 HG21 VAL A 76 111.124 -4.568 -3.608 1.00 0.00 H new ATOM 0 HG22 VAL A 76 110.409 -5.904 -4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 76 111.919 -6.160 -3.635 1.00 0.00 H new ATOM 1193 N SER A 77 111.527 -8.272 -5.395 1.00 0.00 N ATOM 1194 CA SER A 77 110.448 -9.276 -5.223 1.00 0.00 C ATOM 1195 C SER A 77 109.254 -8.577 -4.579 1.00 0.00 C ATOM 1196 O SER A 77 109.093 -8.586 -3.383 1.00 0.00 O ATOM 1197 CB SER A 77 110.936 -10.407 -4.316 1.00 0.00 C ATOM 1198 OG SER A 77 112.155 -10.928 -4.829 1.00 0.00 O ATOM 0 H SER A 77 112.375 -8.443 -4.855 1.00 0.00 H new ATOM 0 HA SER A 77 110.165 -9.700 -6.187 1.00 0.00 H new ATOM 0 HB2 SER A 77 111.084 -10.037 -3.301 1.00 0.00 H new ATOM 0 HB3 SER A 77 110.185 -11.195 -4.262 1.00 0.00 H new ATOM 0 HG SER A 77 112.471 -11.652 -4.249 1.00 0.00 H new ATOM 1204 N LEU A 78 108.424 -7.956 -5.362 1.00 0.00 N ATOM 1205 CA LEU A 78 107.252 -7.241 -4.790 1.00 0.00 C ATOM 1206 C LEU A 78 106.039 -8.169 -4.773 1.00 0.00 C ATOM 1207 O LEU A 78 106.112 -9.312 -5.179 1.00 0.00 O ATOM 1208 CB LEU A 78 106.945 -6.020 -5.645 1.00 0.00 C ATOM 1209 CG LEU A 78 106.574 -6.454 -7.066 1.00 0.00 C ATOM 1210 CD1 LEU A 78 105.104 -6.899 -7.133 1.00 0.00 C ATOM 1211 CD2 LEU A 78 106.788 -5.271 -8.005 1.00 0.00 C ATOM 0 H LEU A 78 108.505 -7.912 -6.378 1.00 0.00 H new ATOM 0 HA LEU A 78 107.479 -6.929 -3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 78 106.125 -5.454 -5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 78 107.811 -5.358 -5.673 1.00 0.00 H new ATOM 0 HG LEU A 78 107.201 -7.295 -7.360 1.00 0.00 H new ATOM 0 HD11 LEU A 78 104.862 -7.203 -8.151 1.00 0.00 H new ATOM 0 HD12 LEU A 78 104.947 -7.739 -6.456 1.00 0.00 H new ATOM 0 HD13 LEU A 78 104.459 -6.071 -6.839 1.00 0.00 H new ATOM 0 HD21 LEU A 78 106.528 -5.563 -9.023 1.00 0.00 H new ATOM 0 HD22 LEU A 78 106.156 -4.440 -7.693 1.00 0.00 H new ATOM 0 HD23 LEU A 78 107.833 -4.964 -7.971 1.00 0.00 H new ATOM 1223 N THR A 79 104.924 -7.687 -4.297 1.00 0.00 N ATOM 1224 CA THR A 79 103.701 -8.535 -4.240 1.00 0.00 C ATOM 1225 C THR A 79 102.473 -7.707 -4.616 1.00 0.00 C ATOM 1226 O THR A 79 102.007 -6.888 -3.853 1.00 0.00 O ATOM 1227 CB THR A 79 103.547 -9.073 -2.818 1.00 0.00 C ATOM 1228 OG1 THR A 79 104.311 -10.261 -2.682 1.00 0.00 O ATOM 1229 CG2 THR A 79 102.080 -9.374 -2.518 1.00 0.00 C ATOM 0 H THR A 79 104.807 -6.737 -3.943 1.00 0.00 H new ATOM 0 HA THR A 79 103.792 -9.362 -4.944 1.00 0.00 H new ATOM 0 HB THR A 79 103.902 -8.320 -2.114 1.00 0.00 H new ATOM 0 HG1 THR A 79 105.227 -10.033 -2.418 1.00 0.00 H new ATOM 0 HG21 THR A 79 101.988 -9.756 -1.501 1.00 0.00 H new ATOM 0 HG22 THR A 79 101.494 -8.461 -2.617 1.00 0.00 H new ATOM 0 HG23 THR A 79 101.710 -10.120 -3.221 1.00 0.00 H new ATOM 1237 N MET A 80 101.934 -7.923 -5.783 1.00 0.00 N ATOM 1238 CA MET A 80 100.725 -7.153 -6.193 1.00 0.00 C ATOM 1239 C MET A 80 99.466 -7.873 -5.705 1.00 0.00 C ATOM 1240 O MET A 80 99.098 -8.912 -6.218 1.00 0.00 O ATOM 1241 CB MET A 80 100.675 -7.036 -7.720 1.00 0.00 C ATOM 1242 CG MET A 80 102.082 -6.795 -8.262 1.00 0.00 C ATOM 1243 SD MET A 80 102.007 -6.573 -10.057 1.00 0.00 S ATOM 1244 CE MET A 80 101.672 -4.794 -10.057 1.00 0.00 C ATOM 0 H MET A 80 102.276 -8.596 -6.469 1.00 0.00 H new ATOM 0 HA MET A 80 100.774 -6.157 -5.753 1.00 0.00 H new ATOM 0 HB2 MET A 80 100.259 -7.947 -8.151 1.00 0.00 H new ATOM 0 HB3 MET A 80 100.017 -6.217 -8.011 1.00 0.00 H new ATOM 0 HG2 MET A 80 102.518 -5.912 -7.794 1.00 0.00 H new ATOM 0 HG3 MET A 80 102.728 -7.638 -8.016 1.00 0.00 H new ATOM 0 HE1 MET A 80 101.084 -4.535 -10.937 1.00 0.00 H new ATOM 0 HE2 MET A 80 101.116 -4.528 -9.158 1.00 0.00 H new ATOM 0 HE3 MET A 80 102.614 -4.246 -10.076 1.00 0.00 H new ATOM 1254 N CYS A 81 98.794 -7.328 -4.724 1.00 0.00 N ATOM 1255 CA CYS A 81 97.554 -7.983 -4.223 1.00 0.00 C ATOM 1256 C CYS A 81 96.343 -7.340 -4.889 1.00 0.00 C ATOM 1257 O CYS A 81 96.365 -6.177 -5.235 1.00 0.00 O ATOM 1258 CB CYS A 81 97.439 -7.795 -2.713 1.00 0.00 C ATOM 1259 SG CYS A 81 99.050 -8.051 -1.942 1.00 0.00 S ATOM 0 H CYS A 81 99.051 -6.461 -4.251 1.00 0.00 H new ATOM 0 HA CYS A 81 97.594 -9.047 -4.457 1.00 0.00 H new ATOM 0 HB2 CYS A 81 97.073 -6.793 -2.489 1.00 0.00 H new ATOM 0 HB3 CYS A 81 96.714 -8.498 -2.304 1.00 0.00 H new ATOM 1264 N LYS A 82 95.281 -8.081 -5.068 1.00 0.00 N ATOM 1265 CA LYS A 82 94.076 -7.506 -5.702 1.00 0.00 C ATOM 1266 C LYS A 82 92.843 -7.955 -4.915 1.00 0.00 C ATOM 1267 O LYS A 82 92.854 -8.984 -4.269 1.00 0.00 O ATOM 1268 CB LYS A 82 93.990 -7.992 -7.155 1.00 0.00 C ATOM 1269 CG LYS A 82 93.037 -9.182 -7.243 1.00 0.00 C ATOM 1270 CD LYS A 82 93.186 -9.861 -8.606 1.00 0.00 C ATOM 1271 CE LYS A 82 92.316 -11.119 -8.648 1.00 0.00 C ATOM 1272 NZ LYS A 82 90.933 -10.781 -8.206 1.00 0.00 N ATOM 0 H LYS A 82 95.204 -9.062 -4.799 1.00 0.00 H new ATOM 0 HA LYS A 82 94.127 -6.417 -5.698 1.00 0.00 H new ATOM 0 HB2 LYS A 82 93.640 -7.185 -7.799 1.00 0.00 H new ATOM 0 HB3 LYS A 82 94.979 -8.278 -7.512 1.00 0.00 H new ATOM 0 HG2 LYS A 82 93.253 -9.893 -6.446 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.009 -8.848 -7.102 1.00 0.00 H new ATOM 0 HD2 LYS A 82 92.891 -9.175 -9.400 1.00 0.00 H new ATOM 0 HD3 LYS A 82 94.230 -10.122 -8.782 1.00 0.00 H new ATOM 0 HE2 LYS A 82 92.297 -11.527 -9.658 1.00 0.00 H new ATOM 0 HE3 LYS A 82 92.738 -11.888 -8.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 90.320 -11.614 -8.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 90.949 -10.491 -7.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 90.563 -10.002 -8.787 1.00 0.00 H new ATOM 1286 N LEU A 83 91.777 -7.206 -4.961 1.00 0.00 N ATOM 1287 CA LEU A 83 90.565 -7.625 -4.211 1.00 0.00 C ATOM 1288 C LEU A 83 89.903 -8.776 -4.953 1.00 0.00 C ATOM 1289 O LEU A 83 89.342 -8.611 -6.018 1.00 0.00 O ATOM 1290 CB LEU A 83 89.576 -6.461 -4.072 1.00 0.00 C ATOM 1291 CG LEU A 83 88.252 -6.967 -3.478 1.00 0.00 C ATOM 1292 CD1 LEU A 83 88.532 -7.866 -2.277 1.00 0.00 C ATOM 1293 CD2 LEU A 83 87.408 -5.781 -3.007 1.00 0.00 C ATOM 0 H LEU A 83 91.694 -6.332 -5.480 1.00 0.00 H new ATOM 0 HA LEU A 83 90.858 -7.941 -3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 83 90.000 -5.687 -3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 83 89.397 -6.006 -5.046 1.00 0.00 H new ATOM 0 HG LEU A 83 87.717 -7.526 -4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 83 87.589 -8.221 -1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 83 89.133 -8.718 -2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 83 89.074 -7.301 -1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 83 86.471 -6.146 -2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 83 87.955 -5.225 -2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 83 87.196 -5.126 -3.853 1.00 0.00 H new ATOM 1305 N THR A 84 89.973 -9.942 -4.392 1.00 0.00 N ATOM 1306 CA THR A 84 89.359 -11.122 -5.051 1.00 0.00 C ATOM 1307 C THR A 84 87.840 -10.955 -5.069 1.00 0.00 C ATOM 1308 O THR A 84 87.215 -11.096 -6.100 1.00 0.00 O ATOM 1309 CB THR A 84 89.741 -12.399 -4.295 1.00 0.00 C ATOM 1310 OG1 THR A 84 89.074 -12.425 -3.043 1.00 0.00 O ATOM 1311 CG2 THR A 84 91.261 -12.440 -4.072 1.00 0.00 C ATOM 0 H THR A 84 90.431 -10.132 -3.501 1.00 0.00 H new ATOM 0 HA THR A 84 89.725 -11.200 -6.075 1.00 0.00 H new ATOM 0 HB THR A 84 89.444 -13.267 -4.883 1.00 0.00 H new ATOM 0 HG1 THR A 84 89.198 -11.566 -2.589 1.00 0.00 H new ATOM 0 HG21 THR A 84 91.525 -13.350 -3.534 1.00 0.00 H new ATOM 0 HG22 THR A 84 91.771 -12.427 -5.035 1.00 0.00 H new ATOM 0 HG23 THR A 84 91.567 -11.572 -3.488 1.00 0.00 H new ATOM 1319 N SER A 85 87.234 -10.640 -3.947 1.00 0.00 N ATOM 1320 CA SER A 85 85.745 -10.456 -3.951 1.00 0.00 C ATOM 1321 C SER A 85 85.180 -10.489 -2.525 1.00 0.00 C ATOM 1322 O SER A 85 85.752 -11.071 -1.626 1.00 0.00 O ATOM 1323 CB SER A 85 85.091 -11.575 -4.773 1.00 0.00 C ATOM 1324 OG SER A 85 85.934 -12.720 -4.761 1.00 0.00 O ATOM 0 H SER A 85 87.694 -10.505 -3.047 1.00 0.00 H new ATOM 0 HA SER A 85 85.525 -9.484 -4.392 1.00 0.00 H new ATOM 0 HB2 SER A 85 84.114 -11.824 -4.358 1.00 0.00 H new ATOM 0 HB3 SER A 85 84.926 -11.241 -5.797 1.00 0.00 H new ATOM 0 HG SER A 85 86.506 -12.714 -5.557 1.00 0.00 H new ATOM 1330 N GLY A 86 84.043 -9.868 -2.327 1.00 0.00 N ATOM 1331 CA GLY A 86 83.404 -9.854 -0.981 1.00 0.00 C ATOM 1332 C GLY A 86 82.646 -8.537 -0.800 1.00 0.00 C ATOM 1333 O GLY A 86 81.443 -8.526 -0.679 1.00 0.00 O ATOM 0 H GLY A 86 83.528 -9.366 -3.050 1.00 0.00 H new ATOM 0 HA2 GLY A 86 82.721 -10.698 -0.880 1.00 0.00 H new ATOM 0 HA3 GLY A 86 84.161 -9.962 -0.204 1.00 0.00 H new ATOM 1337 N LYS A 87 83.368 -7.442 -0.786 1.00 0.00 N ATOM 1338 CA LYS A 87 82.774 -6.074 -0.622 1.00 0.00 C ATOM 1339 C LYS A 87 83.772 -5.222 0.163 1.00 0.00 C ATOM 1340 O LYS A 87 84.936 -5.160 -0.173 1.00 0.00 O ATOM 1341 CB LYS A 87 81.441 -6.137 0.138 1.00 0.00 C ATOM 1342 CG LYS A 87 80.301 -6.417 -0.845 1.00 0.00 C ATOM 1343 CD LYS A 87 79.482 -5.143 -1.074 1.00 0.00 C ATOM 1344 CE LYS A 87 78.343 -5.437 -2.053 1.00 0.00 C ATOM 1345 NZ LYS A 87 77.478 -6.516 -1.499 1.00 0.00 N ATOM 0 H LYS A 87 84.383 -7.440 -0.885 1.00 0.00 H new ATOM 0 HA LYS A 87 82.577 -5.642 -1.603 1.00 0.00 H new ATOM 0 HB2 LYS A 87 81.480 -6.918 0.897 1.00 0.00 H new ATOM 0 HB3 LYS A 87 81.263 -5.196 0.658 1.00 0.00 H new ATOM 0 HG2 LYS A 87 80.706 -6.774 -1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 87 79.659 -7.207 -0.455 1.00 0.00 H new ATOM 0 HD2 LYS A 87 79.078 -4.782 -0.128 1.00 0.00 H new ATOM 0 HD3 LYS A 87 80.121 -4.353 -1.470 1.00 0.00 H new ATOM 0 HE2 LYS A 87 77.754 -4.536 -2.224 1.00 0.00 H new ATOM 0 HE3 LYS A 87 78.748 -5.741 -3.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 76.480 -6.295 -1.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 77.725 -7.422 -1.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 77.624 -6.585 -0.472 1.00 0.00 H new ATOM 1359 N TYR A 88 83.339 -4.577 1.211 1.00 0.00 N ATOM 1360 CA TYR A 88 84.286 -3.755 2.017 1.00 0.00 C ATOM 1361 C TYR A 88 84.517 -4.432 3.376 1.00 0.00 C ATOM 1362 O TYR A 88 85.633 -4.504 3.852 1.00 0.00 O ATOM 1363 CB TYR A 88 83.741 -2.331 2.212 1.00 0.00 C ATOM 1364 CG TYR A 88 84.136 -1.838 3.583 1.00 0.00 C ATOM 1365 CD1 TYR A 88 85.466 -1.951 4.007 1.00 0.00 C ATOM 1366 CD2 TYR A 88 83.170 -1.310 4.439 1.00 0.00 C ATOM 1367 CE1 TYR A 88 85.825 -1.540 5.293 1.00 0.00 C ATOM 1368 CE2 TYR A 88 83.530 -0.889 5.724 1.00 0.00 C ATOM 1369 CZ TYR A 88 84.857 -1.009 6.154 1.00 0.00 C ATOM 1370 OH TYR A 88 85.210 -0.606 7.425 1.00 0.00 O ATOM 0 H TYR A 88 82.375 -4.583 1.543 1.00 0.00 H new ATOM 0 HA TYR A 88 85.234 -3.681 1.485 1.00 0.00 H new ATOM 0 HB2 TYR A 88 84.138 -1.667 1.444 1.00 0.00 H new ATOM 0 HB3 TYR A 88 82.656 -2.325 2.108 1.00 0.00 H new ATOM 0 HD1 TYR A 88 86.213 -2.355 3.340 1.00 0.00 H new ATOM 0 HD2 TYR A 88 82.145 -1.226 4.110 1.00 0.00 H new ATOM 0 HE1 TYR A 88 86.849 -1.632 5.623 1.00 0.00 H new ATOM 0 HE2 TYR A 88 82.784 -0.471 6.384 1.00 0.00 H new ATOM 0 HH TYR A 88 84.419 -0.261 7.890 1.00 0.00 H new ATOM 1380 N PRO A 89 83.484 -4.925 4.006 1.00 0.00 N ATOM 1381 CA PRO A 89 83.605 -5.593 5.321 1.00 0.00 C ATOM 1382 C PRO A 89 83.868 -7.096 5.172 1.00 0.00 C ATOM 1383 O PRO A 89 84.076 -7.801 6.140 1.00 0.00 O ATOM 1384 CB PRO A 89 82.241 -5.337 5.955 1.00 0.00 C ATOM 1385 CG PRO A 89 81.278 -5.287 4.806 1.00 0.00 C ATOM 1386 CD PRO A 89 82.085 -4.912 3.550 1.00 0.00 C ATOM 0 HA PRO A 89 84.440 -5.218 5.913 1.00 0.00 H new ATOM 0 HB2 PRO A 89 81.977 -6.129 6.656 1.00 0.00 H new ATOM 0 HB3 PRO A 89 82.236 -4.402 6.514 1.00 0.00 H new ATOM 0 HG2 PRO A 89 80.787 -6.251 4.674 1.00 0.00 H new ATOM 0 HG3 PRO A 89 80.494 -4.553 4.993 1.00 0.00 H new ATOM 0 HD2 PRO A 89 81.922 -5.627 2.743 1.00 0.00 H new ATOM 0 HD3 PRO A 89 81.799 -3.931 3.170 1.00 0.00 H new ATOM 1394 N ASN A 90 83.854 -7.591 3.959 1.00 0.00 N ATOM 1395 CA ASN A 90 84.095 -9.047 3.734 1.00 0.00 C ATOM 1396 C ASN A 90 84.944 -9.235 2.474 1.00 0.00 C ATOM 1397 O ASN A 90 84.846 -10.236 1.796 1.00 0.00 O ATOM 1398 CB ASN A 90 82.748 -9.751 3.542 1.00 0.00 C ATOM 1399 CG ASN A 90 82.849 -11.204 4.015 1.00 0.00 C ATOM 1400 OD1 ASN A 90 82.753 -12.121 3.223 1.00 0.00 O ATOM 1401 ND2 ASN A 90 83.040 -11.453 5.281 1.00 0.00 N ATOM 0 H ASN A 90 83.685 -7.046 3.113 1.00 0.00 H new ATOM 0 HA ASN A 90 84.618 -9.470 4.592 1.00 0.00 H new ATOM 0 HB2 ASN A 90 81.972 -9.230 4.102 1.00 0.00 H new ATOM 0 HB3 ASN A 90 82.458 -9.720 2.492 1.00 0.00 H new ATOM 0 HD21 ASN A 90 83.109 -12.417 5.606 1.00 0.00 H new ATOM 0 HD22 ASN A 90 83.121 -10.683 5.946 1.00 0.00 H new ATOM 1408 N CYS A 91 85.765 -8.276 2.153 1.00 0.00 N ATOM 1409 CA CYS A 91 86.606 -8.383 0.928 1.00 0.00 C ATOM 1410 C CYS A 91 87.849 -9.227 1.209 1.00 0.00 C ATOM 1411 O CYS A 91 88.604 -8.965 2.124 1.00 0.00 O ATOM 1412 CB CYS A 91 87.026 -6.973 0.503 1.00 0.00 C ATOM 1413 SG CYS A 91 86.641 -5.812 1.832 1.00 0.00 S ATOM 0 H CYS A 91 85.891 -7.417 2.689 1.00 0.00 H new ATOM 0 HA CYS A 91 86.035 -8.863 0.133 1.00 0.00 H new ATOM 0 HB2 CYS A 91 88.093 -6.950 0.282 1.00 0.00 H new ATOM 0 HB3 CYS A 91 86.505 -6.685 -0.410 1.00 0.00 H new ATOM 1418 N ARG A 92 88.070 -10.227 0.399 1.00 0.00 N ATOM 1419 CA ARG A 92 89.268 -11.095 0.567 1.00 0.00 C ATOM 1420 C ARG A 92 90.206 -10.821 -0.607 1.00 0.00 C ATOM 1421 O ARG A 92 89.771 -10.714 -1.743 1.00 0.00 O ATOM 1422 CB ARG A 92 88.847 -12.571 0.571 1.00 0.00 C ATOM 1423 CG ARG A 92 87.565 -12.742 -0.246 1.00 0.00 C ATOM 1424 CD ARG A 92 87.277 -14.232 -0.440 1.00 0.00 C ATOM 1425 NE ARG A 92 85.928 -14.402 -1.049 1.00 0.00 N ATOM 1426 CZ ARG A 92 85.307 -15.545 -0.950 1.00 0.00 C ATOM 1427 NH1 ARG A 92 85.866 -16.540 -0.316 1.00 0.00 N ATOM 1428 NH2 ARG A 92 84.125 -15.694 -1.484 1.00 0.00 N ATOM 0 H ARG A 92 87.463 -10.481 -0.381 1.00 0.00 H new ATOM 0 HA ARG A 92 89.768 -10.881 1.512 1.00 0.00 H new ATOM 0 HB2 ARG A 92 89.642 -13.187 0.152 1.00 0.00 H new ATOM 0 HB3 ARG A 92 88.686 -12.911 1.594 1.00 0.00 H new ATOM 0 HG2 ARG A 92 86.730 -12.263 0.264 1.00 0.00 H new ATOM 0 HG3 ARG A 92 87.670 -12.252 -1.214 1.00 0.00 H new ATOM 0 HD2 ARG A 92 88.036 -14.680 -1.081 1.00 0.00 H new ATOM 0 HD3 ARG A 92 87.323 -14.750 0.518 1.00 0.00 H new ATOM 0 HE ARG A 92 85.490 -13.625 -1.543 1.00 0.00 H new ATOM 0 HH11 ARG A 92 86.789 -16.424 0.102 1.00 0.00 H new ATOM 0 HH12 ARG A 92 85.380 -17.433 -0.239 1.00 0.00 H new ATOM 0 HH21 ARG A 92 83.687 -14.917 -1.979 1.00 0.00 H new ATOM 0 HH22 ARG A 92 83.639 -16.588 -1.407 1.00 0.00 H new ATOM 1442 N TYR A 93 91.481 -10.675 -0.343 1.00 0.00 N ATOM 1443 CA TYR A 93 92.444 -10.373 -1.436 1.00 0.00 C ATOM 1444 C TYR A 93 93.373 -11.558 -1.672 1.00 0.00 C ATOM 1445 O TYR A 93 93.524 -12.431 -0.840 1.00 0.00 O ATOM 1446 CB TYR A 93 93.290 -9.165 -1.038 1.00 0.00 C ATOM 1447 CG TYR A 93 92.396 -7.978 -0.787 1.00 0.00 C ATOM 1448 CD1 TYR A 93 91.536 -7.966 0.320 1.00 0.00 C ATOM 1449 CD2 TYR A 93 92.427 -6.885 -1.659 1.00 0.00 C ATOM 1450 CE1 TYR A 93 90.712 -6.863 0.553 1.00 0.00 C ATOM 1451 CE2 TYR A 93 91.603 -5.783 -1.424 1.00 0.00 C ATOM 1452 CZ TYR A 93 90.748 -5.771 -0.320 1.00 0.00 C ATOM 1453 OH TYR A 93 89.947 -4.679 -0.090 1.00 0.00 O ATOM 0 H TYR A 93 91.893 -10.753 0.587 1.00 0.00 H new ATOM 0 HA TYR A 93 91.884 -10.167 -2.348 1.00 0.00 H new ATOM 0 HB2 TYR A 93 93.868 -9.393 -0.142 1.00 0.00 H new ATOM 0 HB3 TYR A 93 94.005 -8.933 -1.828 1.00 0.00 H new ATOM 0 HD1 TYR A 93 91.511 -8.810 0.993 1.00 0.00 H new ATOM 0 HD2 TYR A 93 93.088 -6.894 -2.513 1.00 0.00 H new ATOM 0 HE1 TYR A 93 90.049 -6.853 1.405 1.00 0.00 H new ATOM 0 HE2 TYR A 93 91.627 -4.939 -2.097 1.00 0.00 H new ATOM 0 HH TYR A 93 89.991 -4.435 0.858 1.00 0.00 H new ATOM 1463 N LYS A 94 94.020 -11.563 -2.801 1.00 0.00 N ATOM 1464 CA LYS A 94 94.982 -12.643 -3.133 1.00 0.00 C ATOM 1465 C LYS A 94 96.347 -11.988 -3.320 1.00 0.00 C ATOM 1466 O LYS A 94 96.456 -10.933 -3.918 1.00 0.00 O ATOM 1467 CB LYS A 94 94.557 -13.340 -4.434 1.00 0.00 C ATOM 1468 CG LYS A 94 93.761 -14.611 -4.111 1.00 0.00 C ATOM 1469 CD LYS A 94 94.718 -15.734 -3.694 1.00 0.00 C ATOM 1470 CE LYS A 94 93.999 -17.081 -3.796 1.00 0.00 C ATOM 1471 NZ LYS A 94 94.837 -18.140 -3.166 1.00 0.00 N ATOM 0 H LYS A 94 93.919 -10.848 -3.522 1.00 0.00 H new ATOM 0 HA LYS A 94 95.014 -13.390 -2.340 1.00 0.00 H new ATOM 0 HB2 LYS A 94 93.951 -12.664 -5.037 1.00 0.00 H new ATOM 0 HB3 LYS A 94 95.437 -13.592 -5.026 1.00 0.00 H new ATOM 0 HG2 LYS A 94 93.050 -14.411 -3.310 1.00 0.00 H new ATOM 0 HG3 LYS A 94 93.182 -14.919 -4.982 1.00 0.00 H new ATOM 0 HD2 LYS A 94 95.600 -15.731 -4.334 1.00 0.00 H new ATOM 0 HD3 LYS A 94 95.064 -15.571 -2.673 1.00 0.00 H new ATOM 0 HE2 LYS A 94 93.030 -17.026 -3.300 1.00 0.00 H new ATOM 0 HE3 LYS A 94 93.809 -17.326 -4.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 94.349 -19.056 -3.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 95.752 -18.197 -3.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 94.996 -17.907 -2.165 1.00 0.00 H new ATOM 1485 N GLU A 95 97.381 -12.585 -2.801 1.00 0.00 N ATOM 1486 CA GLU A 95 98.732 -11.977 -2.935 1.00 0.00 C ATOM 1487 C GLU A 95 99.425 -12.528 -4.183 1.00 0.00 C ATOM 1488 O GLU A 95 99.539 -13.724 -4.367 1.00 0.00 O ATOM 1489 CB GLU A 95 99.555 -12.301 -1.676 1.00 0.00 C ATOM 1490 CG GLU A 95 100.355 -13.590 -1.878 1.00 0.00 C ATOM 1491 CD GLU A 95 100.924 -14.053 -0.535 1.00 0.00 C ATOM 1492 OE1 GLU A 95 101.750 -13.341 0.013 1.00 0.00 O ATOM 1493 OE2 GLU A 95 100.525 -15.111 -0.078 1.00 0.00 O ATOM 0 H GLU A 95 97.349 -13.467 -2.290 1.00 0.00 H new ATOM 0 HA GLU A 95 98.644 -10.895 -3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 95 100.232 -11.476 -1.454 1.00 0.00 H new ATOM 0 HB3 GLU A 95 98.892 -12.408 -0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 95 99.716 -14.365 -2.301 1.00 0.00 H new ATOM 0 HG3 GLU A 95 101.164 -13.421 -2.589 1.00 0.00 H new ATOM 1500 N LYS A 96 99.898 -11.664 -5.039 1.00 0.00 N ATOM 1501 CA LYS A 96 100.598 -12.136 -6.267 1.00 0.00 C ATOM 1502 C LYS A 96 102.069 -11.736 -6.173 1.00 0.00 C ATOM 1503 O LYS A 96 102.415 -10.581 -6.288 1.00 0.00 O ATOM 1504 CB LYS A 96 99.967 -11.476 -7.496 1.00 0.00 C ATOM 1505 CG LYS A 96 100.403 -12.222 -8.759 1.00 0.00 C ATOM 1506 CD LYS A 96 99.799 -11.541 -9.989 1.00 0.00 C ATOM 1507 CE LYS A 96 100.119 -12.365 -11.238 1.00 0.00 C ATOM 1508 NZ LYS A 96 101.546 -12.795 -11.197 1.00 0.00 N ATOM 0 H LYS A 96 99.830 -10.651 -4.941 1.00 0.00 H new ATOM 0 HA LYS A 96 100.511 -13.219 -6.356 1.00 0.00 H new ATOM 0 HB2 LYS A 96 98.880 -11.489 -7.411 1.00 0.00 H new ATOM 0 HB3 LYS A 96 100.270 -10.431 -7.556 1.00 0.00 H new ATOM 0 HG2 LYS A 96 101.491 -12.230 -8.832 1.00 0.00 H new ATOM 0 HG3 LYS A 96 100.079 -13.262 -8.710 1.00 0.00 H new ATOM 0 HD2 LYS A 96 98.720 -11.444 -9.871 1.00 0.00 H new ATOM 0 HD3 LYS A 96 100.200 -10.533 -10.093 1.00 0.00 H new ATOM 0 HE2 LYS A 96 99.467 -13.237 -11.289 1.00 0.00 H new ATOM 0 HE3 LYS A 96 99.932 -11.774 -12.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 101.855 -13.064 -12.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 102.135 -12.011 -10.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 101.645 -13.611 -10.559 1.00 0.00 H new ATOM 1522 N ARG A 97 102.937 -12.682 -5.958 1.00 0.00 N ATOM 1523 CA ARG A 97 104.385 -12.349 -5.845 1.00 0.00 C ATOM 1524 C ARG A 97 104.965 -12.035 -7.225 1.00 0.00 C ATOM 1525 O ARG A 97 105.124 -12.909 -8.054 1.00 0.00 O ATOM 1526 CB ARG A 97 105.140 -13.535 -5.239 1.00 0.00 C ATOM 1527 CG ARG A 97 106.648 -13.348 -5.450 1.00 0.00 C ATOM 1528 CD ARG A 97 107.419 -14.138 -4.391 1.00 0.00 C ATOM 1529 NE ARG A 97 108.832 -14.312 -4.831 1.00 0.00 N ATOM 1530 CZ ARG A 97 109.592 -15.198 -4.248 1.00 0.00 C ATOM 1531 NH1 ARG A 97 109.115 -15.931 -3.280 1.00 0.00 N ATOM 1532 NH2 ARG A 97 110.830 -15.350 -4.633 1.00 0.00 N ATOM 0 H ARG A 97 102.708 -13.671 -5.855 1.00 0.00 H new ATOM 0 HA ARG A 97 104.495 -11.475 -5.203 1.00 0.00 H new ATOM 0 HB2 ARG A 97 104.919 -13.614 -4.175 1.00 0.00 H new ATOM 0 HB3 ARG A 97 104.810 -14.464 -5.703 1.00 0.00 H new ATOM 0 HG2 ARG A 97 106.930 -13.686 -6.447 1.00 0.00 H new ATOM 0 HG3 ARG A 97 106.905 -12.291 -5.388 1.00 0.00 H new ATOM 0 HD2 ARG A 97 107.386 -13.614 -3.436 1.00 0.00 H new ATOM 0 HD3 ARG A 97 106.953 -15.111 -4.237 1.00 0.00 H new ATOM 0 HE ARG A 97 109.205 -13.739 -5.588 1.00 0.00 H new ATOM 0 HH11 ARG A 97 108.148 -15.812 -2.979 1.00 0.00 H new ATOM 0 HH12 ARG A 97 109.709 -16.624 -2.824 1.00 0.00 H new ATOM 0 HH21 ARG A 97 111.203 -14.776 -5.389 1.00 0.00 H new ATOM 0 HH22 ARG A 97 111.424 -16.043 -4.177 1.00 0.00 H new ATOM 1546 N GLN A 98 105.301 -10.795 -7.467 1.00 0.00 N ATOM 1547 CA GLN A 98 105.897 -10.420 -8.785 1.00 0.00 C ATOM 1548 C GLN A 98 107.288 -9.828 -8.537 1.00 0.00 C ATOM 1549 O GLN A 98 107.630 -9.496 -7.425 1.00 0.00 O ATOM 1550 CB GLN A 98 104.998 -9.382 -9.475 1.00 0.00 C ATOM 1551 CG GLN A 98 104.632 -9.861 -10.884 1.00 0.00 C ATOM 1552 CD GLN A 98 105.907 -10.085 -11.698 1.00 0.00 C ATOM 1553 OE1 GLN A 98 106.852 -9.330 -11.589 1.00 0.00 O ATOM 1554 NE2 GLN A 98 105.975 -11.100 -12.516 1.00 0.00 N ATOM 0 H GLN A 98 105.189 -10.024 -6.808 1.00 0.00 H new ATOM 0 HA GLN A 98 105.979 -11.296 -9.428 1.00 0.00 H new ATOM 0 HB2 GLN A 98 104.093 -9.225 -8.888 1.00 0.00 H new ATOM 0 HB3 GLN A 98 105.512 -8.422 -9.530 1.00 0.00 H new ATOM 0 HG2 GLN A 98 104.058 -10.786 -10.827 1.00 0.00 H new ATOM 0 HG3 GLN A 98 103.999 -9.123 -11.377 1.00 0.00 H new ATOM 0 HE21 GLN A 98 105.182 -11.735 -12.608 1.00 0.00 H new ATOM 0 HE22 GLN A 98 106.821 -11.258 -13.063 1.00 0.00 H new ATOM 1563 N ASN A 99 108.091 -9.697 -9.558 1.00 0.00 N ATOM 1564 CA ASN A 99 109.459 -9.118 -9.373 1.00 0.00 C ATOM 1565 C ASN A 99 109.676 -8.009 -10.396 1.00 0.00 C ATOM 1566 O ASN A 99 109.836 -8.258 -11.574 1.00 0.00 O ATOM 1567 CB ASN A 99 110.508 -10.213 -9.577 1.00 0.00 C ATOM 1568 CG ASN A 99 110.098 -11.465 -8.800 1.00 0.00 C ATOM 1569 OD1 ASN A 99 110.455 -12.567 -9.167 1.00 0.00 O ATOM 1570 ND2 ASN A 99 109.358 -11.343 -7.732 1.00 0.00 N ATOM 0 H ASN A 99 107.861 -9.965 -10.515 1.00 0.00 H new ATOM 0 HA ASN A 99 109.552 -8.711 -8.366 1.00 0.00 H new ATOM 0 HB2 ASN A 99 110.604 -10.446 -10.637 1.00 0.00 H new ATOM 0 HB3 ASN A 99 111.483 -9.865 -9.237 1.00 0.00 H new ATOM 0 HD21 ASN A 99 109.080 -12.172 -7.207 1.00 0.00 H new ATOM 0 HD22 ASN A 99 109.058 -10.419 -7.423 1.00 0.00 H new ATOM 1577 N LYS A 100 109.696 -6.786 -9.950 1.00 0.00 N ATOM 1578 CA LYS A 100 109.915 -5.652 -10.889 1.00 0.00 C ATOM 1579 C LYS A 100 110.415 -4.449 -10.098 1.00 0.00 C ATOM 1580 O LYS A 100 110.254 -4.372 -8.898 1.00 0.00 O ATOM 1581 CB LYS A 100 108.609 -5.275 -11.609 1.00 0.00 C ATOM 1582 CG LYS A 100 107.558 -6.377 -11.438 1.00 0.00 C ATOM 1583 CD LYS A 100 106.201 -5.872 -11.948 1.00 0.00 C ATOM 1584 CE LYS A 100 105.930 -6.431 -13.348 1.00 0.00 C ATOM 1585 NZ LYS A 100 105.865 -7.918 -13.285 1.00 0.00 N ATOM 0 H LYS A 100 109.570 -6.521 -8.973 1.00 0.00 H new ATOM 0 HA LYS A 100 110.649 -5.951 -11.638 1.00 0.00 H new ATOM 0 HB2 LYS A 100 108.226 -4.336 -11.210 1.00 0.00 H new ATOM 0 HB3 LYS A 100 108.806 -5.115 -12.669 1.00 0.00 H new ATOM 0 HG2 LYS A 100 107.857 -7.269 -11.989 1.00 0.00 H new ATOM 0 HG3 LYS A 100 107.481 -6.662 -10.389 1.00 0.00 H new ATOM 0 HD2 LYS A 100 105.409 -6.179 -11.265 1.00 0.00 H new ATOM 0 HD3 LYS A 100 106.195 -4.782 -11.974 1.00 0.00 H new ATOM 0 HE2 LYS A 100 104.993 -6.031 -13.736 1.00 0.00 H new ATOM 0 HE3 LYS A 100 106.717 -6.119 -14.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 106.137 -8.317 -14.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 106.517 -8.263 -12.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 104.895 -8.214 -13.053 1.00 0.00 H new ATOM 1599 N SER A 101 111.005 -3.505 -10.766 1.00 0.00 N ATOM 1600 CA SER A 101 111.504 -2.297 -10.056 1.00 0.00 C ATOM 1601 C SER A 101 110.347 -1.313 -9.923 1.00 0.00 C ATOM 1602 O SER A 101 109.805 -0.853 -10.901 1.00 0.00 O ATOM 1603 CB SER A 101 112.646 -1.664 -10.854 1.00 0.00 C ATOM 1604 OG SER A 101 113.333 -2.679 -11.574 1.00 0.00 O ATOM 0 H SER A 101 111.165 -3.515 -11.773 1.00 0.00 H new ATOM 0 HA SER A 101 111.881 -2.564 -9.069 1.00 0.00 H new ATOM 0 HB2 SER A 101 112.253 -0.916 -11.542 1.00 0.00 H new ATOM 0 HB3 SER A 101 113.333 -1.150 -10.182 1.00 0.00 H new ATOM 0 HG SER A 101 114.065 -2.278 -12.087 1.00 0.00 H new ATOM 1610 N TYR A 102 109.941 -1.007 -8.725 1.00 0.00 N ATOM 1611 CA TYR A 102 108.791 -0.080 -8.549 1.00 0.00 C ATOM 1612 C TYR A 102 109.273 1.311 -8.200 1.00 0.00 C ATOM 1613 O TYR A 102 110.451 1.584 -8.172 1.00 0.00 O ATOM 1614 CB TYR A 102 107.945 -0.579 -7.392 1.00 0.00 C ATOM 1615 CG TYR A 102 108.857 -0.913 -6.230 1.00 0.00 C ATOM 1616 CD1 TYR A 102 109.682 0.069 -5.651 1.00 0.00 C ATOM 1617 CD2 TYR A 102 108.868 -2.207 -5.720 1.00 0.00 C ATOM 1618 CE1 TYR A 102 110.510 -0.260 -4.573 1.00 0.00 C ATOM 1619 CE2 TYR A 102 109.688 -2.530 -4.638 1.00 0.00 C ATOM 1620 CZ TYR A 102 110.513 -1.559 -4.066 1.00 0.00 C ATOM 1621 OH TYR A 102 111.324 -1.883 -2.999 1.00 0.00 O ATOM 0 H TYR A 102 110.355 -1.358 -7.861 1.00 0.00 H new ATOM 0 HA TYR A 102 108.223 -0.045 -9.479 1.00 0.00 H new ATOM 0 HB2 TYR A 102 107.222 0.181 -7.098 1.00 0.00 H new ATOM 0 HB3 TYR A 102 107.377 -1.460 -7.692 1.00 0.00 H new ATOM 0 HD1 TYR A 102 109.676 1.077 -6.039 1.00 0.00 H new ATOM 0 HD2 TYR A 102 108.239 -2.965 -6.163 1.00 0.00 H new ATOM 0 HE1 TYR A 102 111.148 0.493 -4.133 1.00 0.00 H new ATOM 0 HE2 TYR A 102 109.685 -3.535 -4.241 1.00 0.00 H new ATOM 0 HH TYR A 102 112.149 -1.355 -3.043 1.00 0.00 H new ATOM 1631 N VAL A 103 108.349 2.183 -7.904 1.00 0.00 N ATOM 1632 CA VAL A 103 108.712 3.572 -7.517 1.00 0.00 C ATOM 1633 C VAL A 103 108.010 3.936 -6.225 1.00 0.00 C ATOM 1634 O VAL A 103 106.809 4.110 -6.184 1.00 0.00 O ATOM 1635 CB VAL A 103 108.272 4.541 -8.598 1.00 0.00 C ATOM 1636 CG1 VAL A 103 109.241 5.731 -8.669 1.00 0.00 C ATOM 1637 CG2 VAL A 103 108.245 3.789 -9.915 1.00 0.00 C ATOM 0 H VAL A 103 107.348 1.989 -7.914 1.00 0.00 H new ATOM 0 HA VAL A 103 109.793 3.632 -7.387 1.00 0.00 H new ATOM 0 HB VAL A 103 107.281 4.936 -8.376 1.00 0.00 H new ATOM 0 HG11 VAL A 103 108.915 6.420 -9.448 1.00 0.00 H new ATOM 0 HG12 VAL A 103 109.253 6.248 -7.710 1.00 0.00 H new ATOM 0 HG13 VAL A 103 110.244 5.371 -8.899 1.00 0.00 H new ATOM 0 HG21 VAL A 103 107.931 4.463 -10.712 1.00 0.00 H new ATOM 0 HG22 VAL A 103 109.241 3.405 -10.135 1.00 0.00 H new ATOM 0 HG23 VAL A 103 107.543 2.958 -9.845 1.00 0.00 H new ATOM 1647 N VAL A 104 108.754 4.072 -5.177 1.00 0.00 N ATOM 1648 CA VAL A 104 108.140 4.454 -3.877 1.00 0.00 C ATOM 1649 C VAL A 104 108.635 5.855 -3.504 1.00 0.00 C ATOM 1650 O VAL A 104 109.750 6.227 -3.812 1.00 0.00 O ATOM 1651 CB VAL A 104 108.499 3.416 -2.786 1.00 0.00 C ATOM 1652 CG1 VAL A 104 109.417 2.341 -3.366 1.00 0.00 C ATOM 1653 CG2 VAL A 104 109.199 4.089 -1.601 1.00 0.00 C ATOM 0 H VAL A 104 109.765 3.936 -5.158 1.00 0.00 H new ATOM 0 HA VAL A 104 107.053 4.468 -3.960 1.00 0.00 H new ATOM 0 HB VAL A 104 107.572 2.960 -2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 104 109.664 1.616 -2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 104 108.911 1.835 -4.188 1.00 0.00 H new ATOM 0 HG13 VAL A 104 110.333 2.804 -3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 104 109.441 3.339 -0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 104 110.116 4.568 -1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 104 108.539 4.839 -1.167 1.00 0.00 H new ATOM 1663 N ALA A 105 107.818 6.639 -2.852 1.00 0.00 N ATOM 1664 CA ALA A 105 108.254 8.011 -2.477 1.00 0.00 C ATOM 1665 C ALA A 105 108.881 7.965 -1.092 1.00 0.00 C ATOM 1666 O ALA A 105 108.779 6.978 -0.391 1.00 0.00 O ATOM 1667 CB ALA A 105 107.049 8.955 -2.473 1.00 0.00 C ATOM 0 H ALA A 105 106.872 6.388 -2.565 1.00 0.00 H new ATOM 0 HA ALA A 105 108.984 8.378 -3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 105 107.374 9.958 -2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 105 106.602 8.978 -3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 105 106.312 8.601 -1.752 1.00 0.00 H new ATOM 1673 N CYS A 106 109.562 9.007 -0.700 1.00 0.00 N ATOM 1674 CA CYS A 106 110.223 8.982 0.642 1.00 0.00 C ATOM 1675 C CYS A 106 109.875 10.232 1.455 1.00 0.00 C ATOM 1676 O CYS A 106 109.561 11.274 0.915 1.00 0.00 O ATOM 1677 CB CYS A 106 111.744 8.899 0.450 1.00 0.00 C ATOM 1678 SG CYS A 106 112.122 8.638 -1.299 1.00 0.00 S ATOM 0 H CYS A 106 109.690 9.863 -1.239 1.00 0.00 H new ATOM 0 HA CYS A 106 109.864 8.111 1.191 1.00 0.00 H new ATOM 0 HB2 CYS A 106 112.216 9.817 0.801 1.00 0.00 H new ATOM 0 HB3 CYS A 106 112.152 8.083 1.046 1.00 0.00 H new ATOM 1683 N LYS A 107 109.938 10.127 2.761 1.00 0.00 N ATOM 1684 CA LYS A 107 109.621 11.301 3.625 1.00 0.00 C ATOM 1685 C LYS A 107 110.413 11.202 4.932 1.00 0.00 C ATOM 1686 O LYS A 107 110.870 10.138 5.314 1.00 0.00 O ATOM 1687 CB LYS A 107 108.119 11.313 3.941 1.00 0.00 C ATOM 1688 CG LYS A 107 107.381 12.132 2.880 1.00 0.00 C ATOM 1689 CD LYS A 107 105.904 12.259 3.263 1.00 0.00 C ATOM 1690 CE LYS A 107 105.088 12.658 2.032 1.00 0.00 C ATOM 1691 NZ LYS A 107 103.692 12.978 2.443 1.00 0.00 N ATOM 0 H LYS A 107 110.196 9.277 3.263 1.00 0.00 H new ATOM 0 HA LYS A 107 109.892 12.219 3.103 1.00 0.00 H new ATOM 0 HB2 LYS A 107 107.733 10.294 3.963 1.00 0.00 H new ATOM 0 HB3 LYS A 107 107.948 11.740 4.929 1.00 0.00 H new ATOM 0 HG2 LYS A 107 107.830 13.121 2.792 1.00 0.00 H new ATOM 0 HG3 LYS A 107 107.474 11.652 1.906 1.00 0.00 H new ATOM 0 HD2 LYS A 107 105.539 11.313 3.663 1.00 0.00 H new ATOM 0 HD3 LYS A 107 105.784 13.005 4.049 1.00 0.00 H new ATOM 0 HE2 LYS A 107 105.542 13.521 1.546 1.00 0.00 H new ATOM 0 HE3 LYS A 107 105.087 11.846 1.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 103.137 13.249 1.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 103.261 12.143 2.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 103.702 13.766 3.122 1.00 0.00 H new ATOM 1705 N PRO A 108 110.569 12.306 5.615 1.00 0.00 N ATOM 1706 CA PRO A 108 111.305 12.346 6.909 1.00 0.00 C ATOM 1707 C PRO A 108 110.580 11.540 8.001 1.00 0.00 C ATOM 1708 O PRO A 108 109.379 11.646 8.158 1.00 0.00 O ATOM 1709 CB PRO A 108 111.341 13.838 7.273 1.00 0.00 C ATOM 1710 CG PRO A 108 110.225 14.463 6.502 1.00 0.00 C ATOM 1711 CD PRO A 108 110.069 13.637 5.228 1.00 0.00 C ATOM 0 HA PRO A 108 112.297 11.903 6.827 1.00 0.00 H new ATOM 0 HB2 PRO A 108 111.208 13.984 8.345 1.00 0.00 H new ATOM 0 HB3 PRO A 108 112.300 14.284 7.008 1.00 0.00 H new ATOM 0 HG2 PRO A 108 109.302 14.460 7.082 1.00 0.00 H new ATOM 0 HG3 PRO A 108 110.450 15.503 6.266 1.00 0.00 H new ATOM 0 HD2 PRO A 108 109.030 13.596 4.902 1.00 0.00 H new ATOM 0 HD3 PRO A 108 110.645 14.058 4.404 1.00 0.00 H new ATOM 1719 N PRO A 109 111.301 10.749 8.754 1.00 0.00 N ATOM 1720 CA PRO A 109 110.712 9.926 9.847 1.00 0.00 C ATOM 1721 C PRO A 109 109.778 10.760 10.731 1.00 0.00 C ATOM 1722 O PRO A 109 110.215 11.585 11.508 1.00 0.00 O ATOM 1723 CB PRO A 109 111.929 9.438 10.641 1.00 0.00 C ATOM 1724 CG PRO A 109 113.103 9.542 9.724 1.00 0.00 C ATOM 1725 CD PRO A 109 112.752 10.562 8.643 1.00 0.00 C ATOM 0 HA PRO A 109 110.102 9.107 9.467 1.00 0.00 H new ATOM 0 HB2 PRO A 109 112.079 10.045 11.534 1.00 0.00 H new ATOM 0 HB3 PRO A 109 111.788 8.410 10.975 1.00 0.00 H new ATOM 0 HG2 PRO A 109 113.991 9.855 10.273 1.00 0.00 H new ATOM 0 HG3 PRO A 109 113.328 8.573 9.278 1.00 0.00 H new ATOM 0 HD2 PRO A 109 113.284 11.501 8.798 1.00 0.00 H new ATOM 0 HD3 PRO A 109 113.029 10.199 7.653 1.00 0.00 H new ATOM 1733 N GLN A 110 108.493 10.558 10.606 1.00 0.00 N ATOM 1734 CA GLN A 110 107.526 11.345 11.423 1.00 0.00 C ATOM 1735 C GLN A 110 107.965 11.349 12.889 1.00 0.00 C ATOM 1736 O GLN A 110 108.803 12.129 13.294 1.00 0.00 O ATOM 1737 CB GLN A 110 106.136 10.715 11.308 1.00 0.00 C ATOM 1738 CG GLN A 110 105.728 10.639 9.837 1.00 0.00 C ATOM 1739 CD GLN A 110 105.348 12.034 9.338 1.00 0.00 C ATOM 1740 OE1 GLN A 110 106.206 12.854 9.077 1.00 0.00 O ATOM 1741 NE2 GLN A 110 104.087 12.341 9.194 1.00 0.00 N ATOM 0 H GLN A 110 108.071 9.880 9.971 1.00 0.00 H new ATOM 0 HA GLN A 110 107.496 12.371 11.056 1.00 0.00 H new ATOM 0 HB2 GLN A 110 106.140 9.717 11.747 1.00 0.00 H new ATOM 0 HB3 GLN A 110 105.410 11.306 11.867 1.00 0.00 H new ATOM 0 HG2 GLN A 110 106.549 10.240 9.241 1.00 0.00 H new ATOM 0 HG3 GLN A 110 104.886 9.957 9.717 1.00 0.00 H new ATOM 0 HE21 GLN A 110 103.366 11.653 9.413 1.00 0.00 H new ATOM 0 HE22 GLN A 110 103.823 13.269 8.863 1.00 0.00 H new ATOM 1750 N LYS A 111 107.400 10.483 13.686 1.00 0.00 N ATOM 1751 CA LYS A 111 107.775 10.427 15.129 1.00 0.00 C ATOM 1752 C LYS A 111 108.032 8.974 15.527 1.00 0.00 C ATOM 1753 O LYS A 111 108.685 8.698 16.513 1.00 0.00 O ATOM 1754 CB LYS A 111 106.633 10.992 15.979 1.00 0.00 C ATOM 1755 CG LYS A 111 105.279 10.598 15.369 1.00 0.00 C ATOM 1756 CD LYS A 111 104.751 11.734 14.482 1.00 0.00 C ATOM 1757 CE LYS A 111 104.008 12.760 15.343 1.00 0.00 C ATOM 1758 NZ LYS A 111 103.472 13.843 14.472 1.00 0.00 N ATOM 0 H LYS A 111 106.691 9.808 13.399 1.00 0.00 H new ATOM 0 HA LYS A 111 108.676 11.018 15.294 1.00 0.00 H new ATOM 0 HB2 LYS A 111 106.706 10.613 16.999 1.00 0.00 H new ATOM 0 HB3 LYS A 111 106.714 12.078 16.036 1.00 0.00 H new ATOM 0 HG2 LYS A 111 105.387 9.687 14.781 1.00 0.00 H new ATOM 0 HG3 LYS A 111 104.563 10.382 16.162 1.00 0.00 H new ATOM 0 HD2 LYS A 111 105.578 12.215 13.960 1.00 0.00 H new ATOM 0 HD3 LYS A 111 104.083 11.333 13.720 1.00 0.00 H new ATOM 0 HE2 LYS A 111 103.194 12.276 15.883 1.00 0.00 H new ATOM 0 HE3 LYS A 111 104.681 13.179 16.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 102.967 14.540 15.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 104.258 14.310 13.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 102.816 13.436 13.775 1.00 0.00 H new ATOM 1772 N LYS A 112 107.537 8.042 14.760 1.00 0.00 N ATOM 1773 CA LYS A 112 107.769 6.618 15.088 1.00 0.00 C ATOM 1774 C LYS A 112 109.168 6.260 14.606 1.00 0.00 C ATOM 1775 O LYS A 112 109.846 5.441 15.193 1.00 0.00 O ATOM 1776 CB LYS A 112 106.714 5.752 14.380 1.00 0.00 C ATOM 1777 CG LYS A 112 106.043 4.823 15.391 1.00 0.00 C ATOM 1778 CD LYS A 112 107.029 3.734 15.824 1.00 0.00 C ATOM 1779 CE LYS A 112 106.293 2.680 16.653 1.00 0.00 C ATOM 1780 NZ LYS A 112 105.828 3.289 17.932 1.00 0.00 N ATOM 0 H LYS A 112 106.982 8.211 13.921 1.00 0.00 H new ATOM 0 HA LYS A 112 107.687 6.442 16.161 1.00 0.00 H new ATOM 0 HB2 LYS A 112 105.967 6.388 13.906 1.00 0.00 H new ATOM 0 HB3 LYS A 112 107.182 5.166 13.589 1.00 0.00 H new ATOM 0 HG2 LYS A 112 105.711 5.393 16.259 1.00 0.00 H new ATOM 0 HG3 LYS A 112 105.156 4.369 14.950 1.00 0.00 H new ATOM 0 HD2 LYS A 112 107.484 3.271 14.948 1.00 0.00 H new ATOM 0 HD3 LYS A 112 107.838 4.172 16.409 1.00 0.00 H new ATOM 0 HE2 LYS A 112 105.443 2.290 16.093 1.00 0.00 H new ATOM 0 HE3 LYS A 112 106.953 1.837 16.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 105.496 2.540 18.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 106.615 3.803 18.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 105.048 3.950 17.739 1.00 0.00 H new ATOM 1794 N ASP A 113 109.607 6.902 13.550 1.00 0.00 N ATOM 1795 CA ASP A 113 110.975 6.655 13.009 1.00 0.00 C ATOM 1796 C ASP A 113 111.548 5.335 13.537 1.00 0.00 C ATOM 1797 O ASP A 113 112.074 5.265 14.630 1.00 0.00 O ATOM 1798 CB ASP A 113 111.870 7.821 13.433 1.00 0.00 C ATOM 1799 CG ASP A 113 112.152 7.744 14.935 1.00 0.00 C ATOM 1800 OD1 ASP A 113 111.219 7.496 15.681 1.00 0.00 O ATOM 1801 OD2 ASP A 113 113.296 7.934 15.314 1.00 0.00 O ATOM 0 H ASP A 113 109.065 7.596 13.035 1.00 0.00 H new ATOM 0 HA ASP A 113 110.929 6.581 11.922 1.00 0.00 H new ATOM 0 HB2 ASP A 113 112.807 7.792 12.877 1.00 0.00 H new ATOM 0 HB3 ASP A 113 111.386 8.768 13.193 1.00 0.00 H new ATOM 1806 N SER A 114 111.450 4.286 12.772 1.00 0.00 N ATOM 1807 CA SER A 114 111.990 2.983 13.243 1.00 0.00 C ATOM 1808 C SER A 114 113.446 3.165 13.671 1.00 0.00 C ATOM 1809 O SER A 114 113.944 2.459 14.525 1.00 0.00 O ATOM 1810 CB SER A 114 111.887 1.944 12.119 1.00 0.00 C ATOM 1811 OG SER A 114 110.831 1.040 12.416 1.00 0.00 O ATOM 0 H SER A 114 111.022 4.274 11.846 1.00 0.00 H new ATOM 0 HA SER A 114 111.411 2.630 14.096 1.00 0.00 H new ATOM 0 HB2 SER A 114 111.701 2.439 11.166 1.00 0.00 H new ATOM 0 HB3 SER A 114 112.828 1.403 12.020 1.00 0.00 H new ATOM 0 HG SER A 114 110.759 0.374 11.700 1.00 0.00 H new ATOM 1817 N GLN A 115 114.129 4.114 13.092 1.00 0.00 N ATOM 1818 CA GLN A 115 115.550 4.353 13.469 1.00 0.00 C ATOM 1819 C GLN A 115 115.888 5.830 13.267 1.00 0.00 C ATOM 1820 O GLN A 115 116.359 6.492 14.168 1.00 0.00 O ATOM 1821 CB GLN A 115 116.475 3.509 12.583 1.00 0.00 C ATOM 1822 CG GLN A 115 115.910 2.097 12.436 1.00 0.00 C ATOM 1823 CD GLN A 115 116.907 1.226 11.669 1.00 0.00 C ATOM 1824 OE1 GLN A 115 116.655 0.062 11.427 1.00 0.00 O ATOM 1825 NE2 GLN A 115 118.038 1.744 11.273 1.00 0.00 N ATOM 0 H GLN A 115 113.762 4.736 12.372 1.00 0.00 H new ATOM 0 HA GLN A 115 115.691 4.076 14.514 1.00 0.00 H new ATOM 0 HB2 GLN A 115 116.576 3.973 11.602 1.00 0.00 H new ATOM 0 HB3 GLN A 115 117.473 3.467 13.020 1.00 0.00 H new ATOM 0 HG2 GLN A 115 115.716 1.667 13.419 1.00 0.00 H new ATOM 0 HG3 GLN A 115 114.957 2.128 11.908 1.00 0.00 H new ATOM 0 HE21 GLN A 115 118.250 2.721 11.476 1.00 0.00 H new ATOM 0 HE22 GLN A 115 118.709 1.172 10.761 1.00 0.00 H new ATOM 1834 N GLN A 116 115.651 6.341 12.085 1.00 0.00 N ATOM 1835 CA GLN A 116 115.963 7.781 11.794 1.00 0.00 C ATOM 1836 C GLN A 116 116.085 7.992 10.278 1.00 0.00 C ATOM 1837 O GLN A 116 116.046 9.106 9.799 1.00 0.00 O ATOM 1838 CB GLN A 116 117.301 8.170 12.437 1.00 0.00 C ATOM 1839 CG GLN A 116 118.347 7.085 12.140 1.00 0.00 C ATOM 1840 CD GLN A 116 119.742 7.714 12.095 1.00 0.00 C ATOM 1841 OE1 GLN A 116 120.225 8.072 11.039 1.00 0.00 O ATOM 1842 NE2 GLN A 116 120.414 7.863 13.203 1.00 0.00 N ATOM 0 H GLN A 116 115.253 5.822 11.302 1.00 0.00 H new ATOM 0 HA GLN A 116 115.159 8.395 12.199 1.00 0.00 H new ATOM 0 HB2 GLN A 116 117.638 9.131 12.048 1.00 0.00 H new ATOM 0 HB3 GLN A 116 117.179 8.287 13.514 1.00 0.00 H new ATOM 0 HG2 GLN A 116 118.311 6.311 12.907 1.00 0.00 H new ATOM 0 HG3 GLN A 116 118.124 6.602 11.189 1.00 0.00 H new ATOM 0 HE21 GLN A 116 120.009 7.563 14.090 1.00 0.00 H new ATOM 0 HE22 GLN A 116 121.345 8.280 13.183 1.00 0.00 H new ATOM 1851 N PHE A 117 116.251 6.926 9.537 1.00 0.00 N ATOM 1852 CA PHE A 117 116.400 7.012 8.044 1.00 0.00 C ATOM 1853 C PHE A 117 116.584 8.455 7.563 1.00 0.00 C ATOM 1854 O PHE A 117 117.669 8.844 7.186 1.00 0.00 O ATOM 1855 CB PHE A 117 115.163 6.419 7.376 1.00 0.00 C ATOM 1856 CG PHE A 117 114.777 5.151 8.093 1.00 0.00 C ATOM 1857 CD1 PHE A 117 114.088 5.219 9.307 1.00 0.00 C ATOM 1858 CD2 PHE A 117 115.111 3.908 7.546 1.00 0.00 C ATOM 1859 CE1 PHE A 117 113.731 4.044 9.974 1.00 0.00 C ATOM 1860 CE2 PHE A 117 114.755 2.732 8.213 1.00 0.00 C ATOM 1861 CZ PHE A 117 114.064 2.799 9.428 1.00 0.00 C ATOM 0 H PHE A 117 116.291 5.977 9.909 1.00 0.00 H new ATOM 0 HA PHE A 117 117.294 6.451 7.771 1.00 0.00 H new ATOM 0 HB2 PHE A 117 114.340 7.133 7.406 1.00 0.00 H new ATOM 0 HB3 PHE A 117 115.366 6.210 6.326 1.00 0.00 H new ATOM 0 HD1 PHE A 117 113.832 6.179 9.730 1.00 0.00 H new ATOM 0 HD2 PHE A 117 115.644 3.857 6.608 1.00 0.00 H new ATOM 0 HE1 PHE A 117 113.198 4.097 10.912 1.00 0.00 H new ATOM 0 HE2 PHE A 117 115.013 1.772 7.791 1.00 0.00 H new ATOM 0 HZ PHE A 117 113.788 1.891 9.944 1.00 0.00 H new ATOM 1871 N HIS A 118 115.518 9.228 7.539 1.00 0.00 N ATOM 1872 CA HIS A 118 115.588 10.649 7.044 1.00 0.00 C ATOM 1873 C HIS A 118 115.007 10.672 5.634 1.00 0.00 C ATOM 1874 O HIS A 118 115.235 11.580 4.861 1.00 0.00 O ATOM 1875 CB HIS A 118 117.033 11.169 7.011 1.00 0.00 C ATOM 1876 CG HIS A 118 117.021 12.667 6.880 1.00 0.00 C ATOM 1877 ND1 HIS A 118 117.703 13.327 5.867 1.00 0.00 N ATOM 1878 CD2 HIS A 118 116.414 13.649 7.626 1.00 0.00 C ATOM 1879 CE1 HIS A 118 117.492 14.647 6.029 1.00 0.00 C ATOM 1880 NE2 HIS A 118 116.715 14.894 7.085 1.00 0.00 N ATOM 0 H HIS A 118 114.591 8.932 7.845 1.00 0.00 H new ATOM 0 HA HIS A 118 115.026 11.294 7.719 1.00 0.00 H new ATOM 0 HB2 HIS A 118 117.557 10.877 7.921 1.00 0.00 H new ATOM 0 HB3 HIS A 118 117.572 10.724 6.175 1.00 0.00 H new ATOM 0 HD2 HIS A 118 115.799 13.480 8.497 1.00 0.00 H new ATOM 0 HE1 HIS A 118 117.901 15.411 5.384 1.00 0.00 H new ATOM 0 HE2 HIS A 118 116.406 15.805 7.424 1.00 0.00 H new ATOM 1889 N LEU A 119 114.257 9.654 5.316 1.00 0.00 N ATOM 1890 CA LEU A 119 113.628 9.528 3.963 1.00 0.00 C ATOM 1891 C LEU A 119 112.892 8.191 3.920 1.00 0.00 C ATOM 1892 O LEU A 119 112.830 7.516 2.917 1.00 0.00 O ATOM 1893 CB LEU A 119 114.714 9.595 2.865 1.00 0.00 C ATOM 1894 CG LEU A 119 115.520 8.268 2.696 1.00 0.00 C ATOM 1895 CD1 LEU A 119 115.421 7.347 3.925 1.00 0.00 C ATOM 1896 CD2 LEU A 119 115.041 7.498 1.452 1.00 0.00 C ATOM 0 H LEU A 119 114.046 8.883 5.950 1.00 0.00 H new ATOM 0 HA LEU A 119 112.929 10.345 3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 119 114.242 9.847 1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 119 115.407 10.403 3.101 1.00 0.00 H new ATOM 0 HG LEU A 119 116.564 8.559 2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 119 116.001 6.441 3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 119 115.814 7.865 4.800 1.00 0.00 H new ATOM 0 HD13 LEU A 119 114.378 7.082 4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 119 115.614 6.577 1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 119 113.983 7.257 1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 119 115.186 8.114 0.565 1.00 0.00 H new ATOM 1908 N VAL A 120 112.366 7.808 5.042 1.00 0.00 N ATOM 1909 CA VAL A 120 111.652 6.510 5.173 1.00 0.00 C ATOM 1910 C VAL A 120 110.826 6.193 3.914 1.00 0.00 C ATOM 1911 O VAL A 120 110.417 7.084 3.197 1.00 0.00 O ATOM 1912 CB VAL A 120 110.748 6.619 6.403 1.00 0.00 C ATOM 1913 CG1 VAL A 120 111.617 6.971 7.616 1.00 0.00 C ATOM 1914 CG2 VAL A 120 109.696 7.727 6.191 1.00 0.00 C ATOM 0 H VAL A 120 112.401 8.356 5.902 1.00 0.00 H new ATOM 0 HA VAL A 120 112.367 5.695 5.286 1.00 0.00 H new ATOM 0 HB VAL A 120 110.234 5.672 6.565 1.00 0.00 H new ATOM 0 HG11 VAL A 120 110.988 7.053 8.503 1.00 0.00 H new ATOM 0 HG12 VAL A 120 112.361 6.189 7.770 1.00 0.00 H new ATOM 0 HG13 VAL A 120 112.120 7.921 7.439 1.00 0.00 H new ATOM 0 HG21 VAL A 120 109.058 7.796 7.072 1.00 0.00 H new ATOM 0 HG22 VAL A 120 110.199 8.681 6.031 1.00 0.00 H new ATOM 0 HG23 VAL A 120 109.087 7.488 5.319 1.00 0.00 H new ATOM 1924 N PRO A 121 110.564 4.926 3.656 1.00 0.00 N ATOM 1925 CA PRO A 121 109.755 4.496 2.482 1.00 0.00 C ATOM 1926 C PRO A 121 108.282 4.740 2.783 1.00 0.00 C ATOM 1927 O PRO A 121 107.637 3.968 3.463 1.00 0.00 O ATOM 1928 CB PRO A 121 110.068 3.006 2.354 1.00 0.00 C ATOM 1929 CG PRO A 121 110.381 2.560 3.742 1.00 0.00 C ATOM 1930 CD PRO A 121 111.001 3.766 4.456 1.00 0.00 C ATOM 0 HA PRO A 121 109.979 5.034 1.561 1.00 0.00 H new ATOM 0 HB2 PRO A 121 109.220 2.458 1.945 1.00 0.00 H new ATOM 0 HB3 PRO A 121 110.911 2.835 1.684 1.00 0.00 H new ATOM 0 HG2 PRO A 121 109.479 2.227 4.255 1.00 0.00 H new ATOM 0 HG3 PRO A 121 111.072 1.717 3.732 1.00 0.00 H new ATOM 0 HD2 PRO A 121 110.654 3.840 5.487 1.00 0.00 H new ATOM 0 HD3 PRO A 121 112.088 3.693 4.490 1.00 0.00 H new ATOM 1938 N VAL A 122 107.777 5.854 2.350 1.00 0.00 N ATOM 1939 CA VAL A 122 106.379 6.228 2.678 1.00 0.00 C ATOM 1940 C VAL A 122 105.375 5.764 1.614 1.00 0.00 C ATOM 1941 O VAL A 122 104.681 4.789 1.800 1.00 0.00 O ATOM 1942 CB VAL A 122 106.337 7.763 2.860 1.00 0.00 C ATOM 1943 CG1 VAL A 122 107.548 8.390 2.179 1.00 0.00 C ATOM 1944 CG2 VAL A 122 105.076 8.369 2.250 1.00 0.00 C ATOM 0 H VAL A 122 108.279 6.531 1.775 1.00 0.00 H new ATOM 0 HA VAL A 122 106.078 5.723 3.596 1.00 0.00 H new ATOM 0 HB VAL A 122 106.342 7.968 3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 122 107.518 9.472 2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 122 108.461 7.997 2.626 1.00 0.00 H new ATOM 0 HG13 VAL A 122 107.532 8.150 1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 122 105.083 9.449 2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 122 105.046 8.149 1.183 1.00 0.00 H new ATOM 0 HG23 VAL A 122 104.197 7.942 2.733 1.00 0.00 H new ATOM 1954 N HIS A 123 105.235 6.485 0.543 1.00 0.00 N ATOM 1955 CA HIS A 123 104.206 6.115 -0.469 1.00 0.00 C ATOM 1956 C HIS A 123 104.762 5.203 -1.557 1.00 0.00 C ATOM 1957 O HIS A 123 105.953 5.029 -1.708 1.00 0.00 O ATOM 1958 CB HIS A 123 103.677 7.398 -1.116 1.00 0.00 C ATOM 1959 CG HIS A 123 102.401 7.109 -1.859 1.00 0.00 C ATOM 1960 ND1 HIS A 123 101.162 7.110 -1.234 1.00 0.00 N ATOM 1961 CD2 HIS A 123 102.155 6.818 -3.178 1.00 0.00 C ATOM 1962 CE1 HIS A 123 100.235 6.829 -2.169 1.00 0.00 C ATOM 1963 NE2 HIS A 123 100.789 6.642 -3.368 1.00 0.00 N ATOM 0 H HIS A 123 105.786 7.314 0.321 1.00 0.00 H new ATOM 0 HA HIS A 123 103.413 5.569 0.042 1.00 0.00 H new ATOM 0 HB2 HIS A 123 103.499 8.154 -0.352 1.00 0.00 H new ATOM 0 HB3 HIS A 123 104.422 7.805 -1.800 1.00 0.00 H new ATOM 0 HD1 HIS A 123 100.986 7.291 -0.246 1.00 0.00 H new ATOM 0 HD2 HIS A 123 102.907 6.738 -3.949 1.00 0.00 H new ATOM 0 HE1 HIS A 123 99.175 6.763 -1.973 1.00 0.00 H new ATOM 1972 N LEU A 124 103.874 4.647 -2.335 1.00 0.00 N ATOM 1973 CA LEU A 124 104.270 3.768 -3.464 1.00 0.00 C ATOM 1974 C LEU A 124 103.775 4.451 -4.738 1.00 0.00 C ATOM 1975 O LEU A 124 102.586 4.578 -4.954 1.00 0.00 O ATOM 1976 CB LEU A 124 103.609 2.393 -3.309 1.00 0.00 C ATOM 1977 CG LEU A 124 104.100 1.454 -4.432 1.00 0.00 C ATOM 1978 CD1 LEU A 124 104.330 0.043 -3.880 1.00 0.00 C ATOM 1979 CD2 LEU A 124 103.054 1.390 -5.553 1.00 0.00 C ATOM 0 H LEU A 124 102.867 4.771 -2.230 1.00 0.00 H new ATOM 0 HA LEU A 124 105.349 3.618 -3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 124 103.852 1.969 -2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 124 102.524 2.492 -3.352 1.00 0.00 H new ATOM 0 HG LEU A 124 105.038 1.845 -4.826 1.00 0.00 H new ATOM 0 HD11 LEU A 124 104.676 -0.609 -4.682 1.00 0.00 H new ATOM 0 HD12 LEU A 124 105.082 0.079 -3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 124 103.396 -0.345 -3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 124 103.407 0.726 -6.342 1.00 0.00 H new ATOM 0 HD22 LEU A 124 102.114 1.010 -5.152 1.00 0.00 H new ATOM 0 HD23 LEU A 124 102.897 2.388 -5.962 1.00 0.00 H new ATOM 1991 N ASP A 125 104.659 4.936 -5.566 1.00 0.00 N ATOM 1992 CA ASP A 125 104.193 5.650 -6.786 1.00 0.00 C ATOM 1993 C ASP A 125 103.658 4.655 -7.817 1.00 0.00 C ATOM 1994 O ASP A 125 102.506 4.711 -8.199 1.00 0.00 O ATOM 1995 CB ASP A 125 105.355 6.459 -7.376 1.00 0.00 C ATOM 1996 CG ASP A 125 104.996 7.947 -7.381 1.00 0.00 C ATOM 1997 OD1 ASP A 125 104.702 8.469 -6.318 1.00 0.00 O ATOM 1998 OD2 ASP A 125 105.021 8.539 -8.447 1.00 0.00 O ATOM 0 H ASP A 125 105.671 4.870 -5.453 1.00 0.00 H new ATOM 0 HA ASP A 125 103.383 6.328 -6.517 1.00 0.00 H new ATOM 0 HB2 ASP A 125 106.260 6.295 -6.790 1.00 0.00 H new ATOM 0 HB3 ASP A 125 105.567 6.123 -8.391 1.00 0.00 H new ATOM 2003 N ARG A 126 104.473 3.751 -8.280 1.00 0.00 N ATOM 2004 CA ARG A 126 103.979 2.777 -9.291 1.00 0.00 C ATOM 2005 C ARG A 126 104.860 1.534 -9.307 1.00 0.00 C ATOM 2006 O ARG A 126 105.812 1.422 -8.566 1.00 0.00 O ATOM 2007 CB ARG A 126 103.980 3.416 -10.682 1.00 0.00 C ATOM 2008 CG ARG A 126 105.302 4.151 -10.946 1.00 0.00 C ATOM 2009 CD ARG A 126 105.049 5.351 -11.863 1.00 0.00 C ATOM 2010 NE ARG A 126 104.415 4.885 -13.128 1.00 0.00 N ATOM 2011 CZ ARG A 126 105.145 4.338 -14.061 1.00 0.00 C ATOM 2012 NH1 ARG A 126 106.431 4.199 -13.886 1.00 0.00 N ATOM 2013 NH2 ARG A 126 104.589 3.930 -15.169 1.00 0.00 N ATOM 0 H ARG A 126 105.450 3.644 -8.006 1.00 0.00 H new ATOM 0 HA ARG A 126 102.962 2.491 -9.023 1.00 0.00 H new ATOM 0 HB2 ARG A 126 103.829 2.647 -11.440 1.00 0.00 H new ATOM 0 HB3 ARG A 126 103.148 4.115 -10.766 1.00 0.00 H new ATOM 0 HG2 ARG A 126 105.738 4.486 -10.005 1.00 0.00 H new ATOM 0 HG3 ARG A 126 106.021 3.473 -11.407 1.00 0.00 H new ATOM 0 HD2 ARG A 126 104.403 6.073 -11.364 1.00 0.00 H new ATOM 0 HD3 ARG A 126 105.988 5.860 -12.080 1.00 0.00 H new ATOM 0 HE ARG A 126 103.410 4.994 -13.265 1.00 0.00 H new ATOM 0 HH11 ARG A 126 106.865 4.518 -13.020 1.00 0.00 H new ATOM 0 HH12 ARG A 126 107.002 3.771 -14.615 1.00 0.00 H new ATOM 0 HH21 ARG A 126 103.584 4.039 -15.305 1.00 0.00 H new ATOM 0 HH22 ARG A 126 105.159 3.502 -15.898 1.00 0.00 H new ATOM 2027 N VAL A 127 104.534 0.592 -10.148 1.00 0.00 N ATOM 2028 CA VAL A 127 105.332 -0.662 -10.229 1.00 0.00 C ATOM 2029 C VAL A 127 105.918 -0.789 -11.639 1.00 0.00 C ATOM 2030 O VAL A 127 105.236 -0.581 -12.622 1.00 0.00 O ATOM 2031 CB VAL A 127 104.420 -1.854 -9.920 1.00 0.00 C ATOM 2032 CG1 VAL A 127 105.181 -2.878 -9.081 1.00 0.00 C ATOM 2033 CG2 VAL A 127 103.207 -1.362 -9.127 1.00 0.00 C ATOM 0 H VAL A 127 103.741 0.639 -10.788 1.00 0.00 H new ATOM 0 HA VAL A 127 106.147 -0.642 -9.506 1.00 0.00 H new ATOM 0 HB VAL A 127 104.096 -2.316 -10.853 1.00 0.00 H new ATOM 0 HG11 VAL A 127 104.531 -3.725 -8.862 1.00 0.00 H new ATOM 0 HG12 VAL A 127 106.054 -3.224 -9.634 1.00 0.00 H new ATOM 0 HG13 VAL A 127 105.502 -2.417 -8.147 1.00 0.00 H new ATOM 0 HG21 VAL A 127 102.553 -2.204 -8.903 1.00 0.00 H new ATOM 0 HG22 VAL A 127 103.542 -0.905 -8.196 1.00 0.00 H new ATOM 0 HG23 VAL A 127 102.661 -0.625 -9.717 1.00 0.00 H new ATOM 2043 N LEU A 128 107.181 -1.114 -11.744 1.00 0.00 N ATOM 2044 CA LEU A 128 107.820 -1.239 -13.087 1.00 0.00 C ATOM 2045 C LEU A 128 108.438 -2.632 -13.228 1.00 0.00 C ATOM 2046 O LEU A 128 109.443 -2.881 -12.584 1.00 0.00 O ATOM 2047 CB LEU A 128 108.915 -0.166 -13.217 1.00 0.00 C ATOM 2048 CG LEU A 128 108.808 0.540 -14.574 1.00 0.00 C ATOM 2049 CD1 LEU A 128 107.697 1.592 -14.525 1.00 0.00 C ATOM 2050 CD2 LEU A 128 110.138 1.225 -14.890 1.00 0.00 C ATOM 2051 OXT LEU A 128 107.894 -3.426 -13.979 1.00 0.00 O ATOM 0 H LEU A 128 107.799 -1.299 -10.954 1.00 0.00 H new ATOM 0 HA LEU A 128 107.075 -1.099 -13.871 1.00 0.00 H new ATOM 0 HB2 LEU A 128 108.818 0.562 -12.412 1.00 0.00 H new ATOM 0 HB3 LEU A 128 109.898 -0.625 -13.115 1.00 0.00 H new ATOM 0 HG LEU A 128 108.576 -0.193 -15.346 1.00 0.00 H new ATOM 0 HD11 LEU A 128 107.625 2.091 -15.492 1.00 0.00 H new ATOM 0 HD12 LEU A 128 106.748 1.108 -14.295 1.00 0.00 H new ATOM 0 HD13 LEU A 128 107.926 2.327 -13.754 1.00 0.00 H new ATOM 0 HD21 LEU A 128 110.068 1.729 -15.854 1.00 0.00 H new ATOM 0 HD22 LEU A 128 110.364 1.956 -14.114 1.00 0.00 H new ATOM 0 HD23 LEU A 128 110.932 0.479 -14.928 1.00 0.00 H new