USER MOD reduce.3.24.130724 H: found=0, std=0, add=991, rem=0, adj=44 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 27 MET CE :methyl -165:sc= -4.02! (180deg=-3.91!) USER MOD Set 1.2: A 41 ASN : amide:sc= -5.18! C(o=-12!,f=-24!) USER MOD Set 1.3: A 93 TYR OH : rot 48:sc= -3.07! USER MOD Set 2.1: A 80 MET CE :methyl -178:sc=-0.00345 (180deg=-0.00736) USER MOD Set 2.2: A 98 GLN : amide:sc= -0.275 X(o=-0.28,f=-0.48) USER MOD Set 3.1: A 17 GLN :FLIP amide:sc= -7.41! C(o=-18!,f=-11!) USER MOD Set 3.2: A 45 HIS :FLIP no HD1:sc= -0.398 F(o=-12,f=-11) USER MOD Set 3.3: A 79 THR OG1 : rot 53:sc= -3.1! USER MOD Set 4.1: A 57 THR OG1 : rot -170:sc= -0.702 USER MOD Set 4.2: A 73 HIS : no HE2:sc= -2 K(o=-2.7,f=-4.5!) USER MOD Set 5.1: A 15 HIS :FLIP no HE2:sc= -11! C(o=-14!,f=-13!) USER MOD Set 5.2: A 42 THR OG1 : rot 180:sc= -1.79 USER MOD Set 6.1: A 9 GLN : amide:sc= 0.642 K(o=-1.6,f=-22!) USER MOD Set 6.2: A 12 LYS NZ :NH3+ 144:sc= -2.21! (180deg=-5.44!) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -80:sc= -3.03! USER MOD Single : A 7 SER OG : rot 180:sc= -0.254 USER MOD Single : A 8 SER OG : rot 52:sc= 0.367 USER MOD Single : A 14 GLN : amide:sc= -11.4! C(o=-11!,f=-15!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -96:sc= -0.144! USER MOD Single : A 21 GLN : amide:sc= -2.08! C(o=-2.1!,f=-2.2!) USER MOD Single : A 24 ASN : amide:sc= -5.26! C(o=-5.3!,f=-9.9!) USER MOD Single : A 25 SER OG : rot 142:sc= -0.454 USER MOD Single : A 28 LYS NZ :NH3+ 158:sc= 0.552 (180deg=0.34) USER MOD Single : A 29 ASN : amide:sc= -0.018 K(o=-0.018,f=-0.52) USER MOD Single : A 31 ASN : amide:sc= -4.95! C(o=-4.9!,f=-9.4!) USER MOD Single : A 32 LYS NZ :NH3+ 159:sc= -0.0281 (180deg=-0.237) USER MOD Single : A 33 HIS : no HD1:sc= -0.584 X(o=-0.58,f=-0.62) USER MOD Single : A 34 THR OG1 : rot -84:sc= 0.107 USER MOD Single : A 35 LYS NZ :NH3+ -160:sc= -0.0175 (180deg=-0.366) USER MOD Single : A 38 LYS NZ :NH3+ -164:sc=-0.000568 (180deg=-0.108) 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 36:sc= 0.0132 USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 159:sc= -0.168 (180deg=-0.883) USER MOD Single : A 64 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.48) USER MOD Single : A 67 LYS NZ :NH3+ 150:sc= -0.124 (180deg=-1.13!) USER MOD Single : A 68 ASN : amide:sc= -2.44! C(o=-2.4!,f=-2.4!) USER MOD Single : A 70 HIS : no HD1:sc= -14.9! C(o=-15!,f=-18!) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.0147 F(o=-1.6!,f=-0.015) USER MOD Single : A 72 SER OG : rot 93:sc= 0.048 USER MOD Single : A 77 SER OG : rot 180:sc= -0.16 USER MOD Single : A 82 LYS NZ :NH3+ 162:sc= -0.0047 (180deg=-0.26) USER MOD Single : A 84 THR OG1 : rot -52:sc= -0.354! USER MOD Single : A 85 SER OG : rot 90:sc= 0.833 USER MOD Single : A 87 LYS NZ :NH3+ -155:sc= -0.124 (180deg=-0.884) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.516 USER MOD Single : A 90 ASN : amide:sc= -0.0311 X(o=-0.031,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 157:sc= -0.0497 (180deg=-0.334) USER MOD Single : A 96 LYS NZ :NH3+ -148:sc= -0.322 (180deg=-1.45!) USER MOD Single : A 99 ASN :FLIP amide:sc= -1.43 F(o=-4.6!,f=-1.4) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= -2.84! USER MOD Single : A 102 TYR OH : rot 150:sc= -1.38 USER MOD Single : A 107 LYS NZ :NH3+ 171:sc= -1.44 (180deg=-1.63) USER MOD Single : A 110 GLN : amide:sc= -0.649 X(o=-0.65,f=-0.15) USER MOD Single : A 111 LYS NZ :NH3+ 141:sc= -4.05! (180deg=-6.66!) USER MOD Single : A 112 LYS NZ :NH3+ 134:sc= -0.0951 (180deg=-0.854) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.0411 X(o=-0.041,f=-0.041) USER MOD Single : A 116 GLN : amide:sc= -0.0148 X(o=-0.015,f=0) USER MOD Single : A 118 HIS : no HD1:sc= -9.05! C(o=-9!,f=-8.9!) USER MOD Single : A 123 HIS : no HE2:sc= -6.66! C(o=-6.7!,f=-6.8!) USER MOD ----------------------------------------------------------------- ATOM 85 N MET A 5 101.902 5.857 13.687 1.00 0.00 N ATOM 86 CA MET A 5 101.808 5.432 12.263 1.00 0.00 C ATOM 87 C MET A 5 102.554 6.435 11.382 1.00 0.00 C ATOM 88 O MET A 5 101.960 7.121 10.575 1.00 0.00 O ATOM 89 CB MET A 5 100.338 5.386 11.833 1.00 0.00 C ATOM 90 CG MET A 5 99.508 4.679 12.903 1.00 0.00 C ATOM 91 SD MET A 5 97.854 4.334 12.253 1.00 0.00 S ATOM 92 CE MET A 5 97.087 5.899 12.741 1.00 0.00 C ATOM 0 HA MET A 5 102.252 4.442 12.155 1.00 0.00 H new ATOM 0 HB2 MET A 5 99.963 6.398 11.678 1.00 0.00 H new ATOM 0 HB3 MET A 5 100.244 4.862 10.882 1.00 0.00 H new ATOM 0 HG2 MET A 5 99.994 3.750 13.201 1.00 0.00 H new ATOM 0 HG3 MET A 5 99.437 5.302 13.795 1.00 0.00 H new ATOM 0 HE1 MET A 5 96.042 5.904 12.432 1.00 0.00 H new ATOM 0 HE2 MET A 5 97.146 6.011 13.824 1.00 0.00 H new ATOM 0 HE3 MET A 5 97.611 6.726 12.262 1.00 0.00 H new ATOM 102 N THR A 6 103.850 6.521 11.521 1.00 0.00 N ATOM 103 CA THR A 6 104.625 7.474 10.676 1.00 0.00 C ATOM 104 C THR A 6 104.132 7.357 9.229 1.00 0.00 C ATOM 105 O THR A 6 103.449 6.417 8.874 1.00 0.00 O ATOM 106 CB THR A 6 106.120 7.124 10.763 1.00 0.00 C ATOM 107 OG1 THR A 6 106.669 7.715 11.931 1.00 0.00 O ATOM 108 CG2 THR A 6 106.868 7.652 9.537 1.00 0.00 C ATOM 0 H THR A 6 104.404 5.974 12.181 1.00 0.00 H new ATOM 0 HA THR A 6 104.483 8.497 11.024 1.00 0.00 H new ATOM 0 HB THR A 6 106.226 6.040 10.801 1.00 0.00 H new ATOM 0 HG1 THR A 6 106.857 8.662 11.761 1.00 0.00 H new ATOM 0 HG21 THR A 6 107.924 7.395 9.617 1.00 0.00 H new ATOM 0 HG22 THR A 6 106.452 7.202 8.635 1.00 0.00 H new ATOM 0 HG23 THR A 6 106.761 8.736 9.485 1.00 0.00 H new ATOM 116 N SER A 7 104.465 8.298 8.390 1.00 0.00 N ATOM 117 CA SER A 7 104.003 8.220 6.975 1.00 0.00 C ATOM 118 C SER A 7 104.337 6.836 6.425 1.00 0.00 C ATOM 119 O SER A 7 103.471 6.093 6.008 1.00 0.00 O ATOM 120 CB SER A 7 104.715 9.288 6.144 1.00 0.00 C ATOM 121 OG SER A 7 104.433 10.571 6.687 1.00 0.00 O ATOM 0 H SER A 7 105.033 9.113 8.620 1.00 0.00 H new ATOM 0 HA SER A 7 102.927 8.389 6.926 1.00 0.00 H new ATOM 0 HB2 SER A 7 105.790 9.109 6.144 1.00 0.00 H new ATOM 0 HB3 SER A 7 104.384 9.239 5.107 1.00 0.00 H new ATOM 0 HG SER A 7 104.889 11.258 6.158 1.00 0.00 H new ATOM 127 N SER A 8 105.590 6.480 6.436 1.00 0.00 N ATOM 128 CA SER A 8 105.991 5.140 5.931 1.00 0.00 C ATOM 129 C SER A 8 105.294 4.059 6.740 1.00 0.00 C ATOM 130 O SER A 8 104.852 3.070 6.206 1.00 0.00 O ATOM 131 CB SER A 8 107.497 4.974 6.074 1.00 0.00 C ATOM 132 OG SER A 8 107.843 3.616 5.843 1.00 0.00 O ATOM 0 H SER A 8 106.356 7.062 6.774 1.00 0.00 H new ATOM 0 HA SER A 8 105.707 5.052 4.882 1.00 0.00 H new ATOM 0 HB2 SER A 8 108.015 5.619 5.364 1.00 0.00 H new ATOM 0 HB3 SER A 8 107.815 5.278 7.071 1.00 0.00 H new ATOM 0 HG SER A 8 107.458 3.321 4.991 1.00 0.00 H new ATOM 138 N GLN A 9 105.194 4.231 8.024 1.00 0.00 N ATOM 139 CA GLN A 9 104.521 3.190 8.846 1.00 0.00 C ATOM 140 C GLN A 9 103.130 2.920 8.273 1.00 0.00 C ATOM 141 O GLN A 9 102.766 1.795 8.014 1.00 0.00 O ATOM 142 CB GLN A 9 104.402 3.675 10.289 1.00 0.00 C ATOM 143 CG GLN A 9 105.698 3.364 11.040 1.00 0.00 C ATOM 144 CD GLN A 9 105.675 1.915 11.530 1.00 0.00 C ATOM 145 OE1 GLN A 9 104.999 1.080 10.962 1.00 0.00 O ATOM 146 NE2 GLN A 9 106.391 1.578 12.568 1.00 0.00 N ATOM 0 H GLN A 9 105.545 5.039 8.538 1.00 0.00 H new ATOM 0 HA GLN A 9 105.106 2.271 8.827 1.00 0.00 H new ATOM 0 HB2 GLN A 9 104.206 4.747 10.309 1.00 0.00 H new ATOM 0 HB3 GLN A 9 103.559 3.188 10.779 1.00 0.00 H new ATOM 0 HG2 GLN A 9 106.556 3.523 10.386 1.00 0.00 H new ATOM 0 HG3 GLN A 9 105.811 4.042 11.886 1.00 0.00 H new ATOM 0 HE21 GLN A 9 106.959 2.278 13.045 1.00 0.00 H new ATOM 0 HE22 GLN A 9 106.383 0.614 12.902 1.00 0.00 H new ATOM 155 N TRP A 10 102.353 3.941 8.058 1.00 0.00 N ATOM 156 CA TRP A 10 100.995 3.724 7.488 1.00 0.00 C ATOM 157 C TRP A 10 101.136 2.978 6.160 1.00 0.00 C ATOM 158 O TRP A 10 100.320 2.153 5.795 1.00 0.00 O ATOM 159 CB TRP A 10 100.319 5.090 7.271 1.00 0.00 C ATOM 160 CG TRP A 10 99.439 5.071 6.055 1.00 0.00 C ATOM 161 CD1 TRP A 10 99.452 6.010 5.080 1.00 0.00 C ATOM 162 CD2 TRP A 10 98.420 4.099 5.669 1.00 0.00 C ATOM 163 NE1 TRP A 10 98.510 5.678 4.123 1.00 0.00 N ATOM 164 CE2 TRP A 10 97.848 4.510 4.440 1.00 0.00 C ATOM 165 CE3 TRP A 10 97.939 2.915 6.256 1.00 0.00 C ATOM 166 CZ2 TRP A 10 96.838 3.770 3.821 1.00 0.00 C ATOM 167 CZ3 TRP A 10 96.925 2.172 5.632 1.00 0.00 C ATOM 168 CH2 TRP A 10 96.381 2.601 4.420 1.00 0.00 C ATOM 0 H TRP A 10 102.596 4.913 8.251 1.00 0.00 H new ATOM 0 HA TRP A 10 100.382 3.132 8.167 1.00 0.00 H new ATOM 0 HB2 TRP A 10 99.726 5.349 8.148 1.00 0.00 H new ATOM 0 HB3 TRP A 10 101.080 5.862 7.161 1.00 0.00 H new ATOM 0 HD1 TRP A 10 100.094 6.878 5.054 1.00 0.00 H new ATOM 0 HE1 TRP A 10 98.327 6.230 3.285 1.00 0.00 H new ATOM 0 HE3 TRP A 10 98.353 2.575 7.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 96.415 4.103 2.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 96.564 1.264 6.092 1.00 0.00 H new ATOM 0 HH2 TRP A 10 95.602 2.023 3.946 1.00 0.00 H new ATOM 179 N PHE A 11 102.170 3.270 5.435 1.00 0.00 N ATOM 180 CA PHE A 11 102.370 2.603 4.120 1.00 0.00 C ATOM 181 C PHE A 11 102.978 1.212 4.291 1.00 0.00 C ATOM 182 O PHE A 11 103.025 0.444 3.360 1.00 0.00 O ATOM 183 CB PHE A 11 103.263 3.468 3.224 1.00 0.00 C ATOM 184 CG PHE A 11 102.446 3.924 2.041 1.00 0.00 C ATOM 185 CD1 PHE A 11 101.607 5.034 2.165 1.00 0.00 C ATOM 186 CD2 PHE A 11 102.512 3.223 0.832 1.00 0.00 C ATOM 187 CE1 PHE A 11 100.831 5.448 1.081 1.00 0.00 C ATOM 188 CE2 PHE A 11 101.739 3.638 -0.255 1.00 0.00 C ATOM 189 CZ PHE A 11 100.896 4.750 -0.132 1.00 0.00 C ATOM 0 H PHE A 11 102.891 3.944 5.694 1.00 0.00 H new ATOM 0 HA PHE A 11 101.395 2.485 3.647 1.00 0.00 H new ATOM 0 HB2 PHE A 11 103.640 4.327 3.779 1.00 0.00 H new ATOM 0 HB3 PHE A 11 104.131 2.899 2.890 1.00 0.00 H new ATOM 0 HD1 PHE A 11 101.559 5.572 3.100 1.00 0.00 H new ATOM 0 HD2 PHE A 11 103.159 2.363 0.739 1.00 0.00 H new ATOM 0 HE1 PHE A 11 100.181 6.305 1.177 1.00 0.00 H new ATOM 0 HE2 PHE A 11 101.791 3.101 -1.191 1.00 0.00 H new ATOM 0 HZ PHE A 11 100.297 5.069 -0.972 1.00 0.00 H new ATOM 199 N LYS A 12 103.427 0.861 5.459 1.00 0.00 N ATOM 200 CA LYS A 12 103.986 -0.506 5.630 1.00 0.00 C ATOM 201 C LYS A 12 102.816 -1.420 5.981 1.00 0.00 C ATOM 202 O LYS A 12 102.789 -2.582 5.670 1.00 0.00 O ATOM 203 CB LYS A 12 105.073 -0.520 6.723 1.00 0.00 C ATOM 204 CG LYS A 12 104.456 -0.612 8.130 1.00 0.00 C ATOM 205 CD LYS A 12 104.352 -2.075 8.584 1.00 0.00 C ATOM 206 CE LYS A 12 104.293 -2.135 10.114 1.00 0.00 C ATOM 207 NZ LYS A 12 103.563 -0.943 10.632 1.00 0.00 N ATOM 0 H LYS A 12 103.433 1.450 6.292 1.00 0.00 H new ATOM 0 HA LYS A 12 104.471 -0.851 4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 12 105.742 -1.365 6.562 1.00 0.00 H new ATOM 0 HB3 LYS A 12 105.678 0.384 6.648 1.00 0.00 H new ATOM 0 HG2 LYS A 12 105.066 -0.049 8.837 1.00 0.00 H new ATOM 0 HG3 LYS A 12 103.466 -0.155 8.129 1.00 0.00 H new ATOM 0 HD2 LYS A 12 103.461 -2.536 8.157 1.00 0.00 H new ATOM 0 HD3 LYS A 12 105.210 -2.641 8.221 1.00 0.00 H new ATOM 0 HE2 LYS A 12 103.792 -3.049 10.433 1.00 0.00 H new ATOM 0 HE3 LYS A 12 105.302 -2.164 10.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 103.002 -1.214 11.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 104.247 -0.207 10.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 102.930 -0.575 9.893 1.00 0.00 H new ATOM 221 N ILE A 13 101.814 -0.878 6.577 1.00 0.00 N ATOM 222 CA ILE A 13 100.620 -1.697 6.896 1.00 0.00 C ATOM 223 C ILE A 13 99.765 -1.731 5.637 1.00 0.00 C ATOM 224 O ILE A 13 98.923 -2.588 5.455 1.00 0.00 O ATOM 225 CB ILE A 13 99.843 -1.074 8.067 1.00 0.00 C ATOM 226 CG1 ILE A 13 99.857 0.459 7.945 1.00 0.00 C ATOM 227 CG2 ILE A 13 100.494 -1.501 9.390 1.00 0.00 C ATOM 228 CD1 ILE A 13 99.585 1.118 9.306 1.00 0.00 C ATOM 0 H ILE A 13 101.762 0.100 6.862 1.00 0.00 H new ATOM 0 HA ILE A 13 100.902 -2.705 7.198 1.00 0.00 H new ATOM 0 HB ILE A 13 98.809 -1.419 8.044 1.00 0.00 H new ATOM 0 HG12 ILE A 13 100.823 0.789 7.563 1.00 0.00 H new ATOM 0 HG13 ILE A 13 99.104 0.778 7.225 1.00 0.00 H new ATOM 0 HG21 ILE A 13 99.946 -1.061 10.224 1.00 0.00 H new ATOM 0 HG22 ILE A 13 100.471 -2.588 9.473 1.00 0.00 H new ATOM 0 HG23 ILE A 13 101.528 -1.158 9.414 1.00 0.00 H new ATOM 0 HD11 ILE A 13 99.600 2.202 9.195 1.00 0.00 H new ATOM 0 HD12 ILE A 13 98.608 0.804 9.673 1.00 0.00 H new ATOM 0 HD13 ILE A 13 100.354 0.816 10.017 1.00 0.00 H new ATOM 240 N GLN A 14 99.999 -0.791 4.758 1.00 0.00 N ATOM 241 CA GLN A 14 99.237 -0.724 3.484 1.00 0.00 C ATOM 242 C GLN A 14 100.094 -1.276 2.327 1.00 0.00 C ATOM 243 O GLN A 14 99.607 -1.477 1.232 1.00 0.00 O ATOM 244 CB GLN A 14 98.864 0.752 3.222 1.00 0.00 C ATOM 245 CG GLN A 14 99.520 1.249 1.944 1.00 0.00 C ATOM 246 CD GLN A 14 99.259 2.747 1.781 1.00 0.00 C ATOM 247 OE1 GLN A 14 99.522 3.523 2.678 1.00 0.00 O ATOM 248 NE2 GLN A 14 98.748 3.191 0.665 1.00 0.00 N ATOM 0 H GLN A 14 100.698 -0.057 4.875 1.00 0.00 H new ATOM 0 HA GLN A 14 98.332 -1.328 3.552 1.00 0.00 H new ATOM 0 HB2 GLN A 14 97.781 0.851 3.144 1.00 0.00 H new ATOM 0 HB3 GLN A 14 99.181 1.368 4.064 1.00 0.00 H new ATOM 0 HG2 GLN A 14 100.593 1.058 1.976 1.00 0.00 H new ATOM 0 HG3 GLN A 14 99.125 0.705 1.086 1.00 0.00 H new ATOM 0 HE21 GLN A 14 98.527 2.541 -0.089 1.00 0.00 H new ATOM 0 HE22 GLN A 14 98.570 4.188 0.547 1.00 0.00 H new ATOM 257 N HIS A 15 101.373 -1.478 2.537 1.00 0.00 N ATOM 258 CA HIS A 15 102.238 -1.955 1.413 1.00 0.00 C ATOM 259 C HIS A 15 103.426 -2.793 1.922 1.00 0.00 C ATOM 260 O HIS A 15 104.425 -2.922 1.241 1.00 0.00 O ATOM 261 CB HIS A 15 102.785 -0.719 0.681 1.00 0.00 C ATOM 262 CG HIS A 15 102.243 -0.659 -0.718 1.00 0.00 C ATOM 263 ND1 HIS A 15 101.034 -0.242 -1.211 1.00 0.00 N flip ATOM 264 CD2 HIS A 15 102.988 -1.054 -1.819 1.00 0.00 C flip ATOM 265 CE1 HIS A 15 101.027 -0.374 -2.594 1.00 0.00 C flip ATOM 266 NE2 HIS A 15 102.225 -0.866 -2.911 1.00 0.00 N flip ATOM 0 H HIS A 15 101.850 -1.335 3.427 1.00 0.00 H new ATOM 0 HA HIS A 15 101.640 -2.585 0.754 1.00 0.00 H new ATOM 0 HB2 HIS A 15 102.509 0.185 1.224 1.00 0.00 H new ATOM 0 HB3 HIS A 15 103.874 -0.756 0.655 1.00 0.00 H new ATOM 0 HD1 HIS A 15 100.259 0.111 -0.649 1.00 0.00 H new ATOM 0 HD2 HIS A 15 103.996 -1.442 -1.803 1.00 0.00 H new ATOM 0 HE1 HIS A 15 100.221 -0.130 -3.270 1.00 0.00 H new ATOM 275 N MET A 16 103.343 -3.367 3.089 1.00 0.00 N ATOM 276 CA MET A 16 104.494 -4.190 3.588 1.00 0.00 C ATOM 277 C MET A 16 104.244 -5.667 3.294 1.00 0.00 C ATOM 278 O MET A 16 103.235 -6.227 3.672 1.00 0.00 O ATOM 279 CB MET A 16 104.690 -4.003 5.105 1.00 0.00 C ATOM 280 CG MET A 16 103.676 -4.847 5.892 1.00 0.00 C ATOM 281 SD MET A 16 104.310 -6.534 6.085 1.00 0.00 S ATOM 282 CE MET A 16 104.776 -6.415 7.830 1.00 0.00 C ATOM 0 H MET A 16 102.541 -3.307 3.717 1.00 0.00 H new ATOM 0 HA MET A 16 105.395 -3.856 3.073 1.00 0.00 H new ATOM 0 HB2 MET A 16 105.704 -4.290 5.384 1.00 0.00 H new ATOM 0 HB3 MET A 16 104.574 -2.951 5.365 1.00 0.00 H new ATOM 0 HG2 MET A 16 103.497 -4.401 6.870 1.00 0.00 H new ATOM 0 HG3 MET A 16 102.719 -4.865 5.370 1.00 0.00 H new ATOM 0 HE1 MET A 16 105.197 -7.365 8.160 1.00 0.00 H new ATOM 0 HE2 MET A 16 105.518 -5.626 7.956 1.00 0.00 H new ATOM 0 HE3 MET A 16 103.894 -6.182 8.427 1.00 0.00 H new ATOM 292 N GLN A 17 105.168 -6.306 2.631 1.00 0.00 N ATOM 293 CA GLN A 17 105.002 -7.750 2.330 1.00 0.00 C ATOM 294 C GLN A 17 105.907 -8.613 3.241 1.00 0.00 C ATOM 295 O GLN A 17 105.735 -9.814 3.301 1.00 0.00 O ATOM 296 CB GLN A 17 105.343 -8.014 0.862 1.00 0.00 C ATOM 297 CG GLN A 17 104.783 -9.378 0.452 1.00 0.00 C ATOM 298 CD GLN A 17 105.655 -9.986 -0.648 1.00 0.00 C ATOM 299 OE1 GLN A 17 105.967 -9.267 -1.692 1.00 0.00 O flip ATOM 300 NE2 GLN A 17 106.057 -11.129 -0.557 1.00 0.00 N flip ATOM 0 H GLN A 17 106.031 -5.887 2.285 1.00 0.00 H new ATOM 0 HA GLN A 17 103.964 -8.024 2.519 1.00 0.00 H new ATOM 0 HB2 GLN A 17 104.922 -7.231 0.232 1.00 0.00 H new ATOM 0 HB3 GLN A 17 106.423 -7.993 0.718 1.00 0.00 H new ATOM 0 HG2 GLN A 17 104.753 -10.043 1.315 1.00 0.00 H new ATOM 0 HG3 GLN A 17 103.758 -9.269 0.098 1.00 0.00 H new ATOM 0 HE21 GLN A 17 105.814 -11.692 0.258 1.00 0.00 H new ATOM 0 HE22 GLN A 17 106.638 -11.526 -1.296 1.00 0.00 H new ATOM 309 N PRO A 18 106.858 -8.038 3.960 1.00 0.00 N ATOM 310 CA PRO A 18 107.743 -8.836 4.855 1.00 0.00 C ATOM 311 C PRO A 18 106.950 -9.878 5.651 1.00 0.00 C ATOM 312 O PRO A 18 107.475 -10.899 6.046 1.00 0.00 O ATOM 313 CB PRO A 18 108.357 -7.788 5.788 1.00 0.00 C ATOM 314 CG PRO A 18 108.379 -6.523 4.993 1.00 0.00 C ATOM 315 CD PRO A 18 107.202 -6.603 4.014 1.00 0.00 C ATOM 0 HA PRO A 18 108.490 -9.403 4.300 1.00 0.00 H new ATOM 0 HB2 PRO A 18 107.764 -7.673 6.696 1.00 0.00 H new ATOM 0 HB3 PRO A 18 109.362 -8.076 6.098 1.00 0.00 H new ATOM 0 HG2 PRO A 18 108.284 -5.654 5.644 1.00 0.00 H new ATOM 0 HG3 PRO A 18 109.323 -6.418 4.457 1.00 0.00 H new ATOM 0 HD2 PRO A 18 106.358 -6.006 4.359 1.00 0.00 H new ATOM 0 HD3 PRO A 18 107.479 -6.225 3.030 1.00 0.00 H new ATOM 323 N SER A 19 105.685 -9.624 5.879 1.00 0.00 N ATOM 324 CA SER A 19 104.839 -10.592 6.643 1.00 0.00 C ATOM 325 C SER A 19 103.609 -9.865 7.200 1.00 0.00 C ATOM 326 O SER A 19 103.468 -9.694 8.395 1.00 0.00 O ATOM 327 CB SER A 19 105.647 -11.189 7.803 1.00 0.00 C ATOM 328 OG SER A 19 106.617 -10.243 8.234 1.00 0.00 O ATOM 0 H SER A 19 105.200 -8.783 5.567 1.00 0.00 H new ATOM 0 HA SER A 19 104.521 -11.394 5.977 1.00 0.00 H new ATOM 0 HB2 SER A 19 104.984 -11.449 8.628 1.00 0.00 H new ATOM 0 HB3 SER A 19 106.136 -12.110 7.485 1.00 0.00 H new ATOM 0 HG SER A 19 107.475 -10.433 7.799 1.00 0.00 H new ATOM 334 N PRO A 20 102.723 -9.440 6.337 1.00 0.00 N ATOM 335 CA PRO A 20 101.484 -8.721 6.741 1.00 0.00 C ATOM 336 C PRO A 20 100.370 -9.684 7.170 1.00 0.00 C ATOM 337 O PRO A 20 99.463 -9.308 7.880 1.00 0.00 O ATOM 338 CB PRO A 20 101.089 -7.970 5.473 1.00 0.00 C ATOM 339 CG PRO A 20 101.595 -8.812 4.344 1.00 0.00 C ATOM 340 CD PRO A 20 102.806 -9.595 4.876 1.00 0.00 C ATOM 0 HA PRO A 20 101.644 -8.073 7.603 1.00 0.00 H new ATOM 0 HB2 PRO A 20 100.008 -7.839 5.413 1.00 0.00 H new ATOM 0 HB3 PRO A 20 101.532 -6.974 5.451 1.00 0.00 H new ATOM 0 HG2 PRO A 20 100.820 -9.493 3.993 1.00 0.00 H new ATOM 0 HG3 PRO A 20 101.880 -8.189 3.496 1.00 0.00 H new ATOM 0 HD2 PRO A 20 102.761 -10.644 4.584 1.00 0.00 H new ATOM 0 HD3 PRO A 20 103.742 -9.195 4.486 1.00 0.00 H new ATOM 348 N GLN A 21 100.452 -10.920 6.735 1.00 0.00 N ATOM 349 CA GLN A 21 99.426 -11.961 7.088 1.00 0.00 C ATOM 350 C GLN A 21 98.420 -12.108 5.945 1.00 0.00 C ATOM 351 O GLN A 21 97.226 -12.023 6.145 1.00 0.00 O ATOM 352 CB GLN A 21 98.673 -11.600 8.377 1.00 0.00 C ATOM 353 CG GLN A 21 99.669 -11.374 9.529 1.00 0.00 C ATOM 354 CD GLN A 21 99.255 -10.144 10.341 1.00 0.00 C ATOM 355 OE1 GLN A 21 98.089 -9.952 10.623 1.00 0.00 O ATOM 356 NE2 GLN A 21 100.168 -9.297 10.732 1.00 0.00 N ATOM 0 H GLN A 21 101.204 -11.261 6.136 1.00 0.00 H new ATOM 0 HA GLN A 21 99.953 -12.902 7.249 1.00 0.00 H new ATOM 0 HB2 GLN A 21 98.078 -10.701 8.219 1.00 0.00 H new ATOM 0 HB3 GLN A 21 97.979 -12.399 8.638 1.00 0.00 H new ATOM 0 HG2 GLN A 21 99.699 -12.253 10.173 1.00 0.00 H new ATOM 0 HG3 GLN A 21 100.674 -11.236 9.131 1.00 0.00 H new ATOM 0 HE21 GLN A 21 101.147 -9.457 10.496 1.00 0.00 H new ATOM 0 HE22 GLN A 21 99.902 -8.475 11.274 1.00 0.00 H new ATOM 365 N ALA A 22 98.893 -12.335 4.749 1.00 0.00 N ATOM 366 CA ALA A 22 97.969 -12.497 3.591 1.00 0.00 C ATOM 367 C ALA A 22 97.412 -11.145 3.181 1.00 0.00 C ATOM 368 O ALA A 22 96.934 -10.385 4.000 1.00 0.00 O ATOM 369 CB ALA A 22 96.794 -13.405 3.972 1.00 0.00 C ATOM 0 H ALA A 22 99.885 -12.415 4.524 1.00 0.00 H new ATOM 0 HA ALA A 22 98.528 -12.940 2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 22 96.127 -13.515 3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 22 97.171 -14.384 4.266 1.00 0.00 H new ATOM 0 HB3 ALA A 22 96.247 -12.962 4.804 1.00 0.00 H new ATOM 375 N CYS A 23 97.437 -10.845 1.919 1.00 0.00 N ATOM 376 CA CYS A 23 96.871 -9.554 1.477 1.00 0.00 C ATOM 377 C CYS A 23 95.436 -9.487 1.951 1.00 0.00 C ATOM 378 O CYS A 23 94.901 -8.436 2.202 1.00 0.00 O ATOM 379 CB CYS A 23 96.881 -9.468 -0.031 1.00 0.00 C ATOM 380 SG CYS A 23 98.565 -9.716 -0.638 1.00 0.00 S ATOM 0 H CYS A 23 97.822 -11.434 1.181 1.00 0.00 H new ATOM 0 HA CYS A 23 97.463 -8.735 1.886 1.00 0.00 H new ATOM 0 HB2 CYS A 23 96.216 -10.222 -0.453 1.00 0.00 H new ATOM 0 HB3 CYS A 23 96.506 -8.496 -0.353 1.00 0.00 H new ATOM 385 N ASN A 24 94.802 -10.609 2.076 1.00 0.00 N ATOM 386 CA ASN A 24 93.399 -10.590 2.549 1.00 0.00 C ATOM 387 C ASN A 24 93.354 -9.791 3.855 1.00 0.00 C ATOM 388 O ASN A 24 92.567 -8.884 4.014 1.00 0.00 O ATOM 389 CB ASN A 24 92.907 -12.026 2.793 1.00 0.00 C ATOM 390 CG ASN A 24 93.856 -13.023 2.122 1.00 0.00 C ATOM 391 OD1 ASN A 24 94.398 -12.750 1.070 1.00 0.00 O ATOM 392 ND2 ASN A 24 94.080 -14.175 2.691 1.00 0.00 N ATOM 0 H ASN A 24 95.188 -11.531 1.874 1.00 0.00 H new ATOM 0 HA ASN A 24 92.753 -10.130 1.801 1.00 0.00 H new ATOM 0 HB2 ASN A 24 92.854 -12.225 3.863 1.00 0.00 H new ATOM 0 HB3 ASN A 24 91.899 -12.147 2.396 1.00 0.00 H new ATOM 0 HD21 ASN A 24 94.710 -14.846 2.252 1.00 0.00 H new ATOM 0 HD22 ASN A 24 93.625 -14.404 3.575 1.00 0.00 H new ATOM 399 N SER A 25 94.211 -10.118 4.783 1.00 0.00 N ATOM 400 CA SER A 25 94.229 -9.384 6.082 1.00 0.00 C ATOM 401 C SER A 25 95.010 -8.074 5.932 1.00 0.00 C ATOM 402 O SER A 25 94.668 -7.058 6.508 1.00 0.00 O ATOM 403 CB SER A 25 94.895 -10.265 7.143 1.00 0.00 C ATOM 404 OG SER A 25 96.081 -9.634 7.611 1.00 0.00 O ATOM 0 H SER A 25 94.902 -10.864 4.698 1.00 0.00 H new ATOM 0 HA SER A 25 93.208 -9.151 6.384 1.00 0.00 H new ATOM 0 HB2 SER A 25 94.209 -10.434 7.973 1.00 0.00 H new ATOM 0 HB3 SER A 25 95.133 -11.242 6.722 1.00 0.00 H new ATOM 0 HG SER A 25 96.173 -9.785 8.575 1.00 0.00 H new ATOM 410 N ALA A 26 96.051 -8.089 5.154 1.00 0.00 N ATOM 411 CA ALA A 26 96.851 -6.850 4.953 1.00 0.00 C ATOM 412 C ALA A 26 95.938 -5.771 4.407 1.00 0.00 C ATOM 413 O ALA A 26 96.033 -4.612 4.759 1.00 0.00 O ATOM 414 CB ALA A 26 97.953 -7.128 3.942 1.00 0.00 C ATOM 0 H ALA A 26 96.385 -8.908 4.646 1.00 0.00 H new ATOM 0 HA ALA A 26 97.292 -6.529 5.897 1.00 0.00 H new ATOM 0 HB1 ALA A 26 98.543 -6.224 3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 26 98.597 -7.924 4.316 1.00 0.00 H new ATOM 0 HB3 ALA A 26 97.509 -7.435 2.995 1.00 0.00 H new ATOM 420 N MET A 27 95.053 -6.155 3.545 1.00 0.00 N ATOM 421 CA MET A 27 94.120 -5.180 2.956 1.00 0.00 C ATOM 422 C MET A 27 93.009 -4.899 3.965 1.00 0.00 C ATOM 423 O MET A 27 92.411 -3.841 3.970 1.00 0.00 O ATOM 424 CB MET A 27 93.537 -5.757 1.667 1.00 0.00 C ATOM 425 CG MET A 27 93.176 -4.611 0.717 1.00 0.00 C ATOM 426 SD MET A 27 91.625 -3.848 1.258 1.00 0.00 S ATOM 427 CE MET A 27 91.741 -2.342 0.261 1.00 0.00 C ATOM 0 H MET A 27 94.937 -7.115 3.221 1.00 0.00 H new ATOM 0 HA MET A 27 94.637 -4.250 2.720 1.00 0.00 H new ATOM 0 HB2 MET A 27 94.259 -6.423 1.194 1.00 0.00 H new ATOM 0 HB3 MET A 27 92.652 -6.353 1.889 1.00 0.00 H new ATOM 0 HG2 MET A 27 93.974 -3.869 0.705 1.00 0.00 H new ATOM 0 HG3 MET A 27 93.074 -4.986 -0.301 1.00 0.00 H new ATOM 0 HE1 MET A 27 91.028 -1.605 0.630 1.00 0.00 H new ATOM 0 HE2 MET A 27 92.750 -1.936 0.331 1.00 0.00 H new ATOM 0 HE3 MET A 27 91.515 -2.576 -0.779 1.00 0.00 H new ATOM 437 N LYS A 28 92.735 -5.841 4.827 1.00 0.00 N ATOM 438 CA LYS A 28 91.666 -5.624 5.844 1.00 0.00 C ATOM 439 C LYS A 28 92.033 -4.427 6.722 1.00 0.00 C ATOM 440 O LYS A 28 91.173 -3.705 7.185 1.00 0.00 O ATOM 441 CB LYS A 28 91.519 -6.866 6.727 1.00 0.00 C ATOM 442 CG LYS A 28 90.758 -7.960 5.970 1.00 0.00 C ATOM 443 CD LYS A 28 89.292 -7.549 5.750 1.00 0.00 C ATOM 444 CE LYS A 28 89.020 -7.410 4.247 1.00 0.00 C ATOM 445 NZ LYS A 28 87.573 -7.130 4.026 1.00 0.00 N ATOM 0 H LYS A 28 93.202 -6.747 4.871 1.00 0.00 H new ATOM 0 HA LYS A 28 90.724 -5.434 5.331 1.00 0.00 H new ATOM 0 HB2 LYS A 28 92.503 -7.232 7.020 1.00 0.00 H new ATOM 0 HB3 LYS A 28 90.988 -6.610 7.644 1.00 0.00 H new ATOM 0 HG2 LYS A 28 91.237 -8.145 5.009 1.00 0.00 H new ATOM 0 HG3 LYS A 28 90.799 -8.893 6.531 1.00 0.00 H new ATOM 0 HD2 LYS A 28 88.625 -8.294 6.184 1.00 0.00 H new ATOM 0 HD3 LYS A 28 89.088 -6.606 6.256 1.00 0.00 H new ATOM 0 HE2 LYS A 28 89.625 -6.604 3.830 1.00 0.00 H new ATOM 0 HE3 LYS A 28 89.307 -8.325 3.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 87.445 -6.677 3.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 87.039 -8.022 4.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 87.224 -6.495 4.772 1.00 0.00 H new ATOM 459 N ASN A 29 93.297 -4.201 6.957 1.00 0.00 N ATOM 460 CA ASN A 29 93.680 -3.034 7.806 1.00 0.00 C ATOM 461 C ASN A 29 93.456 -1.753 7.003 1.00 0.00 C ATOM 462 O ASN A 29 93.363 -0.662 7.534 1.00 0.00 O ATOM 463 CB ASN A 29 95.157 -3.146 8.193 1.00 0.00 C ATOM 464 CG ASN A 29 95.526 -2.000 9.137 1.00 0.00 C ATOM 465 OD1 ASN A 29 96.383 -1.196 8.829 1.00 0.00 O ATOM 466 ND2 ASN A 29 94.912 -1.892 10.283 1.00 0.00 N ATOM 0 H ASN A 29 94.071 -4.764 6.605 1.00 0.00 H new ATOM 0 HA ASN A 29 93.075 -3.016 8.712 1.00 0.00 H new ATOM 0 HB2 ASN A 29 95.345 -4.105 8.677 1.00 0.00 H new ATOM 0 HB3 ASN A 29 95.781 -3.111 7.300 1.00 0.00 H new ATOM 0 HD21 ASN A 29 95.152 -1.132 10.920 1.00 0.00 H new ATOM 0 HD22 ASN A 29 94.192 -2.567 10.542 1.00 0.00 H new ATOM 473 N ILE A 30 93.368 -1.892 5.716 1.00 0.00 N ATOM 474 CA ILE A 30 93.158 -0.712 4.837 1.00 0.00 C ATOM 475 C ILE A 30 91.663 -0.450 4.703 1.00 0.00 C ATOM 476 O ILE A 30 91.229 0.674 4.579 1.00 0.00 O ATOM 477 CB ILE A 30 93.763 -1.021 3.465 1.00 0.00 C ATOM 478 CG1 ILE A 30 94.975 -1.942 3.659 1.00 0.00 C ATOM 479 CG2 ILE A 30 94.187 0.275 2.752 1.00 0.00 C ATOM 480 CD1 ILE A 30 95.985 -1.305 4.616 1.00 0.00 C ATOM 0 H ILE A 30 93.433 -2.785 5.227 1.00 0.00 H new ATOM 0 HA ILE A 30 93.635 0.172 5.259 1.00 0.00 H new ATOM 0 HB ILE A 30 93.017 -1.515 2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 30 94.648 -2.904 4.053 1.00 0.00 H new ATOM 0 HG13 ILE A 30 95.449 -2.136 2.697 1.00 0.00 H new ATOM 0 HG21 ILE A 30 94.614 0.032 1.779 1.00 0.00 H new ATOM 0 HG22 ILE A 30 93.317 0.917 2.616 1.00 0.00 H new ATOM 0 HG23 ILE A 30 94.931 0.795 3.355 1.00 0.00 H new ATOM 0 HD11 ILE A 30 96.838 -1.972 4.742 1.00 0.00 H new ATOM 0 HD12 ILE A 30 96.325 -0.354 4.206 1.00 0.00 H new ATOM 0 HD13 ILE A 30 95.512 -1.134 5.583 1.00 0.00 H new ATOM 492 N ASN A 31 90.871 -1.482 4.740 1.00 0.00 N ATOM 493 CA ASN A 31 89.404 -1.285 4.631 1.00 0.00 C ATOM 494 C ASN A 31 88.911 -0.647 5.927 1.00 0.00 C ATOM 495 O ASN A 31 87.873 -0.018 5.971 1.00 0.00 O ATOM 496 CB ASN A 31 88.720 -2.642 4.406 1.00 0.00 C ATOM 497 CG ASN A 31 88.280 -3.247 5.743 1.00 0.00 C ATOM 498 OD1 ASN A 31 88.963 -3.114 6.739 1.00 0.00 O ATOM 499 ND2 ASN A 31 87.159 -3.912 5.806 1.00 0.00 N ATOM 0 H ASN A 31 91.176 -2.450 4.841 1.00 0.00 H new ATOM 0 HA ASN A 31 89.165 -0.636 3.789 1.00 0.00 H new ATOM 0 HB2 ASN A 31 87.855 -2.517 3.754 1.00 0.00 H new ATOM 0 HB3 ASN A 31 89.405 -3.322 3.900 1.00 0.00 H new ATOM 0 HD21 ASN A 31 86.857 -4.320 6.691 1.00 0.00 H new ATOM 0 HD22 ASN A 31 86.585 -4.024 4.970 1.00 0.00 H new ATOM 506 N LYS A 32 89.662 -0.796 6.983 1.00 0.00 N ATOM 507 CA LYS A 32 89.248 -0.192 8.276 1.00 0.00 C ATOM 508 C LYS A 32 89.747 1.253 8.320 1.00 0.00 C ATOM 509 O LYS A 32 89.104 2.126 8.867 1.00 0.00 O ATOM 510 CB LYS A 32 89.823 -1.020 9.443 1.00 0.00 C ATOM 511 CG LYS A 32 91.242 -0.557 9.813 1.00 0.00 C ATOM 512 CD LYS A 32 91.177 0.516 10.911 1.00 0.00 C ATOM 513 CE LYS A 32 91.152 -0.156 12.286 1.00 0.00 C ATOM 514 NZ LYS A 32 92.512 -0.667 12.615 1.00 0.00 N ATOM 0 H LYS A 32 90.543 -1.310 7.005 1.00 0.00 H new ATOM 0 HA LYS A 32 88.162 -0.194 8.370 1.00 0.00 H new ATOM 0 HB2 LYS A 32 89.171 -0.929 10.312 1.00 0.00 H new ATOM 0 HB3 LYS A 32 89.843 -2.075 9.168 1.00 0.00 H new ATOM 0 HG2 LYS A 32 91.832 -1.406 10.158 1.00 0.00 H new ATOM 0 HG3 LYS A 32 91.744 -0.157 8.932 1.00 0.00 H new ATOM 0 HD2 LYS A 32 92.038 1.180 10.836 1.00 0.00 H new ATOM 0 HD3 LYS A 32 90.287 1.131 10.780 1.00 0.00 H new ATOM 0 HE2 LYS A 32 90.826 0.556 13.044 1.00 0.00 H new ATOM 0 HE3 LYS A 32 90.434 -0.976 12.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 92.596 -0.794 13.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 92.664 -1.580 12.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 93.227 0.015 12.291 1.00 0.00 H new ATOM 528 N HIS A 33 90.889 1.513 7.738 1.00 0.00 N ATOM 529 CA HIS A 33 91.421 2.903 7.741 1.00 0.00 C ATOM 530 C HIS A 33 90.832 3.678 6.559 1.00 0.00 C ATOM 531 O HIS A 33 90.931 4.887 6.487 1.00 0.00 O ATOM 532 CB HIS A 33 92.947 2.862 7.627 1.00 0.00 C ATOM 533 CG HIS A 33 93.552 2.656 8.989 1.00 0.00 C ATOM 534 ND1 HIS A 33 93.422 3.592 10.006 1.00 0.00 N ATOM 535 CD2 HIS A 33 94.294 1.628 9.518 1.00 0.00 C ATOM 536 CE1 HIS A 33 94.070 3.112 11.084 1.00 0.00 C ATOM 537 NE2 HIS A 33 94.617 1.921 10.838 1.00 0.00 N ATOM 0 H HIS A 33 91.472 0.824 7.263 1.00 0.00 H new ATOM 0 HA HIS A 33 91.142 3.401 8.670 1.00 0.00 H new ATOM 0 HB2 HIS A 33 93.250 2.056 6.958 1.00 0.00 H new ATOM 0 HB3 HIS A 33 93.314 3.792 7.192 1.00 0.00 H new ATOM 0 HD2 HIS A 33 94.582 0.731 8.990 1.00 0.00 H new ATOM 0 HE1 HIS A 33 94.138 3.628 12.031 1.00 0.00 H new ATOM 0 HE2 HIS A 33 95.159 1.346 11.483 1.00 0.00 H new ATOM 546 N THR A 34 90.217 2.990 5.636 1.00 0.00 N ATOM 547 CA THR A 34 89.612 3.675 4.455 1.00 0.00 C ATOM 548 C THR A 34 88.105 3.425 4.453 1.00 0.00 C ATOM 549 O THR A 34 87.378 3.957 3.638 1.00 0.00 O ATOM 550 CB THR A 34 90.216 3.110 3.165 1.00 0.00 C ATOM 551 OG1 THR A 34 89.833 1.750 3.022 1.00 0.00 O ATOM 552 CG2 THR A 34 91.741 3.210 3.220 1.00 0.00 C ATOM 0 H THR A 34 90.106 1.976 5.648 1.00 0.00 H new ATOM 0 HA THR A 34 89.814 4.745 4.511 1.00 0.00 H new ATOM 0 HB THR A 34 89.851 3.684 2.313 1.00 0.00 H new ATOM 0 HG1 THR A 34 90.444 1.182 3.537 1.00 0.00 H new ATOM 0 HG21 THR A 34 92.165 2.807 2.300 1.00 0.00 H new ATOM 0 HG22 THR A 34 92.033 4.255 3.327 1.00 0.00 H new ATOM 0 HG23 THR A 34 92.113 2.640 4.071 1.00 0.00 H new ATOM 560 N LYS A 35 87.629 2.615 5.359 1.00 0.00 N ATOM 561 CA LYS A 35 86.165 2.329 5.403 1.00 0.00 C ATOM 562 C LYS A 35 85.697 1.870 4.019 1.00 0.00 C ATOM 563 O LYS A 35 84.552 2.042 3.648 1.00 0.00 O ATOM 564 CB LYS A 35 85.408 3.598 5.803 1.00 0.00 C ATOM 565 CG LYS A 35 86.119 4.272 6.979 1.00 0.00 C ATOM 566 CD LYS A 35 86.199 3.297 8.157 1.00 0.00 C ATOM 567 CE LYS A 35 86.528 4.067 9.437 1.00 0.00 C ATOM 568 NZ LYS A 35 87.723 4.927 9.206 1.00 0.00 N ATOM 0 H LYS A 35 88.187 2.140 6.068 1.00 0.00 H new ATOM 0 HA LYS A 35 85.968 1.545 6.134 1.00 0.00 H new ATOM 0 HB2 LYS A 35 85.354 4.283 4.957 1.00 0.00 H new ATOM 0 HB3 LYS A 35 84.383 3.350 6.079 1.00 0.00 H new ATOM 0 HG2 LYS A 35 87.121 4.582 6.682 1.00 0.00 H new ATOM 0 HG3 LYS A 35 85.581 5.172 7.275 1.00 0.00 H new ATOM 0 HD2 LYS A 35 85.252 2.770 8.271 1.00 0.00 H new ATOM 0 HD3 LYS A 35 86.963 2.543 7.967 1.00 0.00 H new ATOM 0 HE2 LYS A 35 85.677 4.680 9.734 1.00 0.00 H new ATOM 0 HE3 LYS A 35 86.720 3.371 10.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 88.150 5.181 10.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 88.418 4.409 8.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 87.436 5.792 8.706 1.00 0.00 H new ATOM 582 N ARG A 36 86.578 1.288 3.253 1.00 0.00 N ATOM 583 CA ARG A 36 86.202 0.813 1.890 1.00 0.00 C ATOM 584 C ARG A 36 87.318 -0.089 1.362 1.00 0.00 C ATOM 585 O ARG A 36 88.467 0.070 1.722 1.00 0.00 O ATOM 586 CB ARG A 36 86.032 2.020 0.961 1.00 0.00 C ATOM 587 CG ARG A 36 86.305 1.609 -0.492 1.00 0.00 C ATOM 588 CD ARG A 36 85.212 0.661 -0.994 1.00 0.00 C ATOM 589 NE ARG A 36 84.524 1.277 -2.164 1.00 0.00 N ATOM 590 CZ ARG A 36 85.086 1.248 -3.342 1.00 0.00 C ATOM 591 NH1 ARG A 36 86.251 0.680 -3.494 1.00 0.00 N ATOM 592 NH2 ARG A 36 84.483 1.786 -4.366 1.00 0.00 N ATOM 0 H ARG A 36 87.550 1.120 3.514 1.00 0.00 H new ATOM 0 HA ARG A 36 85.265 0.258 1.931 1.00 0.00 H new ATOM 0 HB2 ARG A 36 85.021 2.418 1.051 1.00 0.00 H new ATOM 0 HB3 ARG A 36 86.716 2.816 1.257 1.00 0.00 H new ATOM 0 HG2 ARG A 36 86.346 2.495 -1.126 1.00 0.00 H new ATOM 0 HG3 ARG A 36 87.278 1.122 -0.562 1.00 0.00 H new ATOM 0 HD2 ARG A 36 85.648 -0.297 -1.277 1.00 0.00 H new ATOM 0 HD3 ARG A 36 84.494 0.462 -0.199 1.00 0.00 H new ATOM 0 HE ARG A 36 83.614 1.721 -2.044 1.00 0.00 H new ATOM 0 HH11 ARG A 36 86.722 0.259 -2.693 1.00 0.00 H new ATOM 0 HH12 ARG A 36 86.691 0.657 -4.414 1.00 0.00 H new ATOM 0 HH21 ARG A 36 83.572 2.229 -4.246 1.00 0.00 H new ATOM 0 HH22 ARG A 36 84.922 1.763 -5.286 1.00 0.00 H new ATOM 606 N CYS A 37 87.009 -1.028 0.502 1.00 0.00 N ATOM 607 CA CYS A 37 88.083 -1.902 -0.030 1.00 0.00 C ATOM 608 C CYS A 37 88.634 -1.313 -1.329 1.00 0.00 C ATOM 609 O CYS A 37 88.074 -1.484 -2.393 1.00 0.00 O ATOM 610 CB CYS A 37 87.528 -3.297 -0.281 1.00 0.00 C ATOM 611 SG CYS A 37 87.855 -4.320 1.179 1.00 0.00 S ATOM 0 H CYS A 37 86.070 -1.221 0.153 1.00 0.00 H new ATOM 0 HA CYS A 37 88.892 -1.966 0.698 1.00 0.00 H new ATOM 0 HB2 CYS A 37 86.457 -3.248 -0.477 1.00 0.00 H new ATOM 0 HB3 CYS A 37 87.994 -3.737 -1.163 1.00 0.00 H new ATOM 616 N LYS A 38 89.728 -0.612 -1.226 1.00 0.00 N ATOM 617 CA LYS A 38 90.371 0.020 -2.419 1.00 0.00 C ATOM 618 C LYS A 38 90.217 -0.859 -3.670 1.00 0.00 C ATOM 619 O LYS A 38 90.401 -0.392 -4.773 1.00 0.00 O ATOM 620 CB LYS A 38 91.864 0.219 -2.131 1.00 0.00 C ATOM 621 CG LYS A 38 92.041 1.229 -0.988 1.00 0.00 C ATOM 622 CD LYS A 38 92.068 2.657 -1.548 1.00 0.00 C ATOM 623 CE LYS A 38 93.495 3.025 -1.962 1.00 0.00 C ATOM 624 NZ LYS A 38 94.295 3.355 -0.749 1.00 0.00 N ATOM 0 H LYS A 38 90.217 -0.445 -0.346 1.00 0.00 H new ATOM 0 HA LYS A 38 89.881 0.975 -2.608 1.00 0.00 H new ATOM 0 HB2 LYS A 38 92.322 -0.733 -1.862 1.00 0.00 H new ATOM 0 HB3 LYS A 38 92.372 0.576 -3.027 1.00 0.00 H new ATOM 0 HG2 LYS A 38 91.226 1.126 -0.272 1.00 0.00 H new ATOM 0 HG3 LYS A 38 92.966 1.023 -0.450 1.00 0.00 H new ATOM 0 HD2 LYS A 38 91.400 2.734 -2.406 1.00 0.00 H new ATOM 0 HD3 LYS A 38 91.705 3.359 -0.797 1.00 0.00 H new ATOM 0 HE2 LYS A 38 93.955 2.195 -2.499 1.00 0.00 H new ATOM 0 HE3 LYS A 38 93.479 3.876 -2.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 95.161 3.858 -1.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 93.733 3.960 -0.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 94.550 2.478 -0.252 1.00 0.00 H new ATOM 638 N ASP A 39 89.886 -2.119 -3.517 1.00 0.00 N ATOM 639 CA ASP A 39 89.726 -3.005 -4.708 1.00 0.00 C ATOM 640 C ASP A 39 91.102 -3.475 -5.193 1.00 0.00 C ATOM 641 O ASP A 39 91.224 -4.494 -5.842 1.00 0.00 O ATOM 642 CB ASP A 39 88.980 -2.261 -5.836 1.00 0.00 C ATOM 643 CG ASP A 39 89.964 -1.749 -6.896 1.00 0.00 C ATOM 644 OD1 ASP A 39 90.579 -2.573 -7.552 1.00 0.00 O ATOM 645 OD2 ASP A 39 90.078 -0.543 -7.038 1.00 0.00 O ATOM 0 H ASP A 39 89.720 -2.570 -2.617 1.00 0.00 H new ATOM 0 HA ASP A 39 89.135 -3.876 -4.425 1.00 0.00 H new ATOM 0 HB2 ASP A 39 88.254 -2.929 -6.300 1.00 0.00 H new ATOM 0 HB3 ASP A 39 88.421 -1.424 -5.418 1.00 0.00 H new ATOM 650 N LEU A 40 92.142 -2.747 -4.881 1.00 0.00 N ATOM 651 CA LEU A 40 93.503 -3.167 -5.329 1.00 0.00 C ATOM 652 C LEU A 40 94.553 -2.617 -4.355 1.00 0.00 C ATOM 653 O LEU A 40 94.517 -1.465 -3.971 1.00 0.00 O ATOM 654 CB LEU A 40 93.767 -2.617 -6.745 1.00 0.00 C ATOM 655 CG LEU A 40 94.211 -3.733 -7.709 1.00 0.00 C ATOM 656 CD1 LEU A 40 95.488 -4.424 -7.201 1.00 0.00 C ATOM 657 CD2 LEU A 40 93.084 -4.761 -7.862 1.00 0.00 C ATOM 0 H LEU A 40 92.109 -1.884 -4.338 1.00 0.00 H new ATOM 0 HA LEU A 40 93.564 -4.255 -5.347 1.00 0.00 H new ATOM 0 HB2 LEU A 40 92.863 -2.143 -7.127 1.00 0.00 H new ATOM 0 HB3 LEU A 40 94.536 -1.846 -6.700 1.00 0.00 H new ATOM 0 HG LEU A 40 94.430 -3.286 -8.679 1.00 0.00 H new ATOM 0 HD11 LEU A 40 95.780 -5.208 -7.900 1.00 0.00 H new ATOM 0 HD12 LEU A 40 96.291 -3.691 -7.121 1.00 0.00 H new ATOM 0 HD13 LEU A 40 95.299 -4.863 -6.221 1.00 0.00 H new ATOM 0 HD21 LEU A 40 93.401 -5.549 -8.545 1.00 0.00 H new ATOM 0 HD22 LEU A 40 92.853 -5.195 -6.889 1.00 0.00 H new ATOM 0 HD23 LEU A 40 92.196 -4.271 -8.261 1.00 0.00 H new ATOM 669 N ASN A 41 95.491 -3.435 -3.960 1.00 0.00 N ATOM 670 CA ASN A 41 96.552 -2.972 -3.018 1.00 0.00 C ATOM 671 C ASN A 41 97.849 -3.723 -3.320 1.00 0.00 C ATOM 672 O ASN A 41 97.864 -4.931 -3.429 1.00 0.00 O ATOM 673 CB ASN A 41 96.119 -3.254 -1.579 1.00 0.00 C ATOM 674 CG ASN A 41 94.900 -2.396 -1.239 1.00 0.00 C ATOM 675 OD1 ASN A 41 93.830 -2.599 -1.777 1.00 0.00 O ATOM 676 ND2 ASN A 41 95.018 -1.436 -0.362 1.00 0.00 N ATOM 0 H ASN A 41 95.569 -4.410 -4.251 1.00 0.00 H new ATOM 0 HA ASN A 41 96.710 -1.901 -3.140 1.00 0.00 H new ATOM 0 HB2 ASN A 41 95.879 -4.310 -1.460 1.00 0.00 H new ATOM 0 HB3 ASN A 41 96.936 -3.034 -0.892 1.00 0.00 H new ATOM 0 HD21 ASN A 41 94.212 -0.857 -0.129 1.00 0.00 H new ATOM 0 HD22 ASN A 41 95.916 -1.266 0.090 1.00 0.00 H new ATOM 683 N THR A 42 98.936 -3.016 -3.464 1.00 0.00 N ATOM 684 CA THR A 42 100.234 -3.688 -3.766 1.00 0.00 C ATOM 685 C THR A 42 101.134 -3.642 -2.532 1.00 0.00 C ATOM 686 O THR A 42 101.024 -2.767 -1.698 1.00 0.00 O ATOM 687 CB THR A 42 100.928 -2.970 -4.933 1.00 0.00 C ATOM 688 OG1 THR A 42 100.519 -1.610 -4.958 1.00 0.00 O ATOM 689 CG2 THR A 42 100.557 -3.637 -6.262 1.00 0.00 C ATOM 0 H THR A 42 98.983 -2.000 -3.386 1.00 0.00 H new ATOM 0 HA THR A 42 100.047 -4.726 -4.040 1.00 0.00 H new ATOM 0 HB THR A 42 102.008 -3.030 -4.796 1.00 0.00 H new ATOM 0 HG1 THR A 42 100.962 -1.149 -5.701 1.00 0.00 H new ATOM 0 HG21 THR A 42 101.055 -3.118 -7.081 1.00 0.00 H new ATOM 0 HG22 THR A 42 100.874 -4.680 -6.247 1.00 0.00 H new ATOM 0 HG23 THR A 42 99.478 -3.588 -6.405 1.00 0.00 H new ATOM 697 N PHE A 43 102.022 -4.587 -2.415 1.00 0.00 N ATOM 698 CA PHE A 43 102.945 -4.621 -1.246 1.00 0.00 C ATOM 699 C PHE A 43 104.354 -4.955 -1.754 1.00 0.00 C ATOM 700 O PHE A 43 104.512 -5.507 -2.821 1.00 0.00 O ATOM 701 CB PHE A 43 102.467 -5.689 -0.252 1.00 0.00 C ATOM 702 CG PHE A 43 101.104 -5.309 0.302 1.00 0.00 C ATOM 703 CD1 PHE A 43 99.965 -5.384 -0.513 1.00 0.00 C ATOM 704 CD2 PHE A 43 100.977 -4.885 1.633 1.00 0.00 C ATOM 705 CE1 PHE A 43 98.708 -5.035 0.002 1.00 0.00 C ATOM 706 CE2 PHE A 43 99.719 -4.537 2.146 1.00 0.00 C ATOM 707 CZ PHE A 43 98.587 -4.612 1.329 1.00 0.00 C ATOM 0 H PHE A 43 102.150 -5.345 -3.085 1.00 0.00 H new ATOM 0 HA PHE A 43 102.959 -3.656 -0.739 1.00 0.00 H new ATOM 0 HB2 PHE A 43 102.410 -6.659 -0.746 1.00 0.00 H new ATOM 0 HB3 PHE A 43 103.185 -5.788 0.562 1.00 0.00 H new ATOM 0 HD1 PHE A 43 100.056 -5.711 -1.538 1.00 0.00 H new ATOM 0 HD2 PHE A 43 101.851 -4.826 2.265 1.00 0.00 H new ATOM 0 HE1 PHE A 43 97.832 -5.093 -0.627 1.00 0.00 H new ATOM 0 HE2 PHE A 43 99.625 -4.211 3.171 1.00 0.00 H new ATOM 0 HZ PHE A 43 97.618 -4.343 1.723 1.00 0.00 H new ATOM 717 N LEU A 44 105.378 -4.622 -1.008 1.00 0.00 N ATOM 718 CA LEU A 44 106.777 -4.921 -1.457 1.00 0.00 C ATOM 719 C LEU A 44 107.432 -5.847 -0.422 1.00 0.00 C ATOM 720 O LEU A 44 107.065 -5.830 0.736 1.00 0.00 O ATOM 721 CB LEU A 44 107.568 -3.606 -1.597 1.00 0.00 C ATOM 722 CG LEU A 44 106.844 -2.667 -2.575 1.00 0.00 C ATOM 723 CD1 LEU A 44 107.652 -1.377 -2.774 1.00 0.00 C ATOM 724 CD2 LEU A 44 106.690 -3.366 -3.923 1.00 0.00 C ATOM 0 H LEU A 44 105.307 -4.154 -0.104 1.00 0.00 H new ATOM 0 HA LEU A 44 106.769 -5.416 -2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 44 107.669 -3.126 -0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 44 108.576 -3.813 -1.956 1.00 0.00 H new ATOM 0 HG LEU A 44 105.866 -2.418 -2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 44 107.127 -0.722 -3.469 1.00 0.00 H new ATOM 0 HD12 LEU A 44 107.770 -0.870 -1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 44 108.634 -1.622 -3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 44 106.177 -2.703 -4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 44 107.675 -3.616 -4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 44 106.108 -4.279 -3.795 1.00 0.00 H new ATOM 736 N HIS A 45 108.382 -6.671 -0.818 1.00 0.00 N ATOM 737 CA HIS A 45 109.011 -7.604 0.183 1.00 0.00 C ATOM 738 C HIS A 45 110.439 -7.183 0.492 1.00 0.00 C ATOM 739 O HIS A 45 111.389 -7.867 0.166 1.00 0.00 O ATOM 740 CB HIS A 45 109.019 -9.040 -0.349 1.00 0.00 C ATOM 741 CG HIS A 45 109.111 -10.004 0.803 1.00 0.00 C ATOM 742 ND1 HIS A 45 108.148 -10.596 1.584 1.00 0.00 N flip ATOM 743 CD2 HIS A 45 110.327 -10.472 1.281 1.00 0.00 C flip ATOM 744 CE1 HIS A 45 108.756 -11.417 2.527 1.00 0.00 C flip ATOM 745 NE2 HIS A 45 110.067 -11.308 2.304 1.00 0.00 N flip ATOM 0 H HIS A 45 108.743 -6.738 -1.770 1.00 0.00 H new ATOM 0 HA HIS A 45 108.417 -7.557 1.096 1.00 0.00 H new ATOM 0 HB2 HIS A 45 108.113 -9.231 -0.924 1.00 0.00 H new ATOM 0 HB3 HIS A 45 109.862 -9.184 -1.025 1.00 0.00 H new ATOM 0 HD2 HIS A 45 111.304 -10.213 0.901 1.00 0.00 H new ATOM 0 HE1 HIS A 45 108.269 -12.017 3.282 1.00 0.00 H new ATOM 0 HE2 HIS A 45 110.783 -11.797 2.841 1.00 0.00 H new ATOM 754 N GLU A 46 110.594 -6.076 1.141 1.00 0.00 N ATOM 755 CA GLU A 46 111.950 -5.612 1.504 1.00 0.00 C ATOM 756 C GLU A 46 111.832 -4.812 2.809 1.00 0.00 C ATOM 757 O GLU A 46 110.995 -3.943 2.920 1.00 0.00 O ATOM 758 CB GLU A 46 112.492 -4.739 0.368 1.00 0.00 C ATOM 759 CG GLU A 46 113.939 -4.346 0.661 1.00 0.00 C ATOM 760 CD GLU A 46 114.871 -5.501 0.288 1.00 0.00 C ATOM 761 OE1 GLU A 46 114.374 -6.598 0.092 1.00 0.00 O ATOM 762 OE2 GLU A 46 116.066 -5.269 0.206 1.00 0.00 O ATOM 0 H GLU A 46 109.833 -5.466 1.439 1.00 0.00 H new ATOM 0 HA GLU A 46 112.637 -6.446 1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 46 112.437 -5.280 -0.577 1.00 0.00 H new ATOM 0 HB3 GLU A 46 111.878 -3.845 0.260 1.00 0.00 H new ATOM 0 HG2 GLU A 46 114.206 -3.453 0.095 1.00 0.00 H new ATOM 0 HG3 GLU A 46 114.053 -4.100 1.717 1.00 0.00 H new ATOM 769 N PRO A 47 112.627 -5.108 3.810 1.00 0.00 N ATOM 770 CA PRO A 47 112.549 -4.383 5.109 1.00 0.00 C ATOM 771 C PRO A 47 112.584 -2.865 4.927 1.00 0.00 C ATOM 772 O PRO A 47 113.456 -2.328 4.275 1.00 0.00 O ATOM 773 CB PRO A 47 113.780 -4.847 5.884 1.00 0.00 C ATOM 774 CG PRO A 47 114.176 -6.155 5.273 1.00 0.00 C ATOM 775 CD PRO A 47 113.669 -6.150 3.826 1.00 0.00 C ATOM 0 HA PRO A 47 111.612 -4.598 5.623 1.00 0.00 H new ATOM 0 HB2 PRO A 47 114.588 -4.119 5.808 1.00 0.00 H new ATOM 0 HB3 PRO A 47 113.554 -4.963 6.944 1.00 0.00 H new ATOM 0 HG2 PRO A 47 115.258 -6.281 5.301 1.00 0.00 H new ATOM 0 HG3 PRO A 47 113.744 -6.986 5.830 1.00 0.00 H new ATOM 0 HD2 PRO A 47 114.471 -5.922 3.124 1.00 0.00 H new ATOM 0 HD3 PRO A 47 113.265 -7.122 3.543 1.00 0.00 H new ATOM 783 N PHE A 48 111.641 -2.174 5.504 1.00 0.00 N ATOM 784 CA PHE A 48 111.604 -0.688 5.383 1.00 0.00 C ATOM 785 C PHE A 48 113.009 -0.124 5.541 1.00 0.00 C ATOM 786 O PHE A 48 113.281 0.975 5.138 1.00 0.00 O ATOM 787 CB PHE A 48 110.677 -0.124 6.453 1.00 0.00 C ATOM 788 CG PHE A 48 109.598 -1.150 6.716 1.00 0.00 C ATOM 789 CD1 PHE A 48 108.998 -1.814 5.636 1.00 0.00 C ATOM 790 CD2 PHE A 48 109.212 -1.458 8.026 1.00 0.00 C ATOM 791 CE1 PHE A 48 108.015 -2.778 5.864 1.00 0.00 C ATOM 792 CE2 PHE A 48 108.227 -2.429 8.254 1.00 0.00 C ATOM 793 CZ PHE A 48 107.629 -3.088 7.172 1.00 0.00 C ATOM 0 H PHE A 48 110.887 -2.578 6.060 1.00 0.00 H new ATOM 0 HA PHE A 48 111.228 -0.405 4.400 1.00 0.00 H new ATOM 0 HB2 PHE A 48 111.233 0.089 7.366 1.00 0.00 H new ATOM 0 HB3 PHE A 48 110.237 0.816 6.121 1.00 0.00 H new ATOM 0 HD1 PHE A 48 109.297 -1.579 4.625 1.00 0.00 H new ATOM 0 HD2 PHE A 48 109.672 -0.948 8.860 1.00 0.00 H new ATOM 0 HE1 PHE A 48 107.552 -3.285 5.030 1.00 0.00 H new ATOM 0 HE2 PHE A 48 107.929 -2.669 9.264 1.00 0.00 H new ATOM 0 HZ PHE A 48 106.870 -3.836 7.348 1.00 0.00 H new ATOM 803 N SER A 49 113.904 -0.874 6.114 1.00 0.00 N ATOM 804 CA SER A 49 115.296 -0.377 6.269 1.00 0.00 C ATOM 805 C SER A 49 115.996 -0.471 4.912 1.00 0.00 C ATOM 806 O SER A 49 116.771 0.390 4.535 1.00 0.00 O ATOM 807 CB SER A 49 116.039 -1.237 7.293 1.00 0.00 C ATOM 808 OG SER A 49 115.349 -1.190 8.535 1.00 0.00 O ATOM 0 H SER A 49 113.732 -1.810 6.482 1.00 0.00 H new ATOM 0 HA SER A 49 115.289 0.656 6.616 1.00 0.00 H new ATOM 0 HB2 SER A 49 116.106 -2.266 6.940 1.00 0.00 H new ATOM 0 HB3 SER A 49 117.060 -0.875 7.417 1.00 0.00 H new ATOM 0 HG SER A 49 115.822 -1.742 9.193 1.00 0.00 H new ATOM 814 N SER A 50 115.707 -1.501 4.158 1.00 0.00 N ATOM 815 CA SER A 50 116.338 -1.637 2.819 1.00 0.00 C ATOM 816 C SER A 50 115.497 -0.842 1.823 1.00 0.00 C ATOM 817 O SER A 50 116.017 -0.141 0.983 1.00 0.00 O ATOM 818 CB SER A 50 116.402 -3.113 2.420 1.00 0.00 C ATOM 819 OG SER A 50 117.726 -3.591 2.620 1.00 0.00 O ATOM 0 H SER A 50 115.063 -2.249 4.414 1.00 0.00 H new ATOM 0 HA SER A 50 117.358 -1.252 2.832 1.00 0.00 H new ATOM 0 HB2 SER A 50 115.698 -3.695 3.015 1.00 0.00 H new ATOM 0 HB3 SER A 50 116.112 -3.233 1.376 1.00 0.00 H new ATOM 0 HG SER A 50 117.774 -4.537 2.368 1.00 0.00 H new ATOM 825 N VAL A 51 114.196 -0.910 1.940 1.00 0.00 N ATOM 826 CA VAL A 51 113.333 -0.111 1.029 1.00 0.00 C ATOM 827 C VAL A 51 113.616 1.350 1.352 1.00 0.00 C ATOM 828 O VAL A 51 113.593 2.217 0.502 1.00 0.00 O ATOM 829 CB VAL A 51 111.850 -0.418 1.292 1.00 0.00 C ATOM 830 CG1 VAL A 51 111.068 -0.382 -0.025 1.00 0.00 C ATOM 831 CG2 VAL A 51 111.716 -1.806 1.921 1.00 0.00 C ATOM 0 H VAL A 51 113.699 -1.481 2.623 1.00 0.00 H new ATOM 0 HA VAL A 51 113.542 -0.344 -0.015 1.00 0.00 H new ATOM 0 HB VAL A 51 111.447 0.333 1.972 1.00 0.00 H new ATOM 0 HG11 VAL A 51 110.018 -0.600 0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 51 111.156 0.608 -0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 51 111.473 -1.128 -0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 51 110.664 -2.021 2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 51 112.125 -2.554 1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 51 112.263 -1.833 2.863 1.00 0.00 H new ATOM 841 N ALA A 52 113.906 1.609 2.601 1.00 0.00 N ATOM 842 CA ALA A 52 114.224 2.991 3.033 1.00 0.00 C ATOM 843 C ALA A 52 115.401 3.478 2.192 1.00 0.00 C ATOM 844 O ALA A 52 115.332 4.494 1.530 1.00 0.00 O ATOM 845 CB ALA A 52 114.620 2.988 4.514 1.00 0.00 C ATOM 0 H ALA A 52 113.935 0.910 3.343 1.00 0.00 H new ATOM 0 HA ALA A 52 113.360 3.643 2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 52 114.854 4.005 4.830 1.00 0.00 H new ATOM 0 HB2 ALA A 52 113.793 2.603 5.111 1.00 0.00 H new ATOM 0 HB3 ALA A 52 115.495 2.354 4.655 1.00 0.00 H new ATOM 851 N ALA A 53 116.479 2.738 2.201 1.00 0.00 N ATOM 852 CA ALA A 53 117.659 3.135 1.387 1.00 0.00 C ATOM 853 C ALA A 53 117.280 3.056 -0.091 1.00 0.00 C ATOM 854 O ALA A 53 117.754 3.823 -0.905 1.00 0.00 O ATOM 855 CB ALA A 53 118.824 2.185 1.670 1.00 0.00 C ATOM 0 H ALA A 53 116.590 1.877 2.737 1.00 0.00 H new ATOM 0 HA ALA A 53 117.961 4.151 1.641 1.00 0.00 H new ATOM 0 HB1 ALA A 53 119.687 2.479 1.072 1.00 0.00 H new ATOM 0 HB2 ALA A 53 119.083 2.232 2.728 1.00 0.00 H new ATOM 0 HB3 ALA A 53 118.534 1.166 1.412 1.00 0.00 H new ATOM 861 N THR A 54 116.414 2.143 -0.441 1.00 0.00 N ATOM 862 CA THR A 54 115.991 2.033 -1.862 1.00 0.00 C ATOM 863 C THR A 54 115.363 3.358 -2.266 1.00 0.00 C ATOM 864 O THR A 54 115.499 3.812 -3.385 1.00 0.00 O ATOM 865 CB THR A 54 114.958 0.904 -2.021 1.00 0.00 C ATOM 866 OG1 THR A 54 115.447 -0.273 -1.394 1.00 0.00 O ATOM 867 CG2 THR A 54 114.711 0.624 -3.506 1.00 0.00 C ATOM 0 H THR A 54 115.984 1.472 0.195 1.00 0.00 H new ATOM 0 HA THR A 54 116.851 1.806 -2.493 1.00 0.00 H new ATOM 0 HB THR A 54 114.021 1.209 -1.555 1.00 0.00 H new ATOM 0 HG1 THR A 54 115.942 -0.030 -0.584 1.00 0.00 H new ATOM 0 HG21 THR A 54 113.978 -0.177 -3.608 1.00 0.00 H new ATOM 0 HG22 THR A 54 114.333 1.525 -3.988 1.00 0.00 H new ATOM 0 HG23 THR A 54 115.645 0.324 -3.980 1.00 0.00 H new ATOM 875 N CYS A 55 114.680 3.999 -1.356 1.00 0.00 N ATOM 876 CA CYS A 55 114.055 5.294 -1.701 1.00 0.00 C ATOM 877 C CYS A 55 115.119 6.390 -1.678 1.00 0.00 C ATOM 878 O CYS A 55 114.826 7.553 -1.482 1.00 0.00 O ATOM 879 CB CYS A 55 112.932 5.615 -0.715 1.00 0.00 C ATOM 880 SG CYS A 55 111.667 6.593 -1.562 1.00 0.00 S ATOM 0 H CYS A 55 114.532 3.680 -0.398 1.00 0.00 H new ATOM 0 HA CYS A 55 113.625 5.236 -2.701 1.00 0.00 H new ATOM 0 HB2 CYS A 55 112.498 4.694 -0.326 1.00 0.00 H new ATOM 0 HB3 CYS A 55 113.326 6.167 0.138 1.00 0.00 H new ATOM 885 N GLN A 56 116.357 6.020 -1.882 1.00 0.00 N ATOM 886 CA GLN A 56 117.459 7.025 -1.879 1.00 0.00 C ATOM 887 C GLN A 56 118.130 7.059 -3.257 1.00 0.00 C ATOM 888 O GLN A 56 118.919 7.936 -3.545 1.00 0.00 O ATOM 889 CB GLN A 56 118.494 6.638 -0.821 1.00 0.00 C ATOM 890 CG GLN A 56 119.432 7.820 -0.565 1.00 0.00 C ATOM 891 CD GLN A 56 120.388 7.475 0.578 1.00 0.00 C ATOM 892 OE1 GLN A 56 120.759 6.331 0.751 1.00 0.00 O ATOM 893 NE2 GLN A 56 120.806 8.423 1.371 1.00 0.00 N ATOM 0 H GLN A 56 116.652 5.059 -2.051 1.00 0.00 H new ATOM 0 HA GLN A 56 117.050 8.010 -1.651 1.00 0.00 H new ATOM 0 HB2 GLN A 56 117.994 6.351 0.104 1.00 0.00 H new ATOM 0 HB3 GLN A 56 119.066 5.773 -1.156 1.00 0.00 H new ATOM 0 HG2 GLN A 56 119.997 8.052 -1.468 1.00 0.00 H new ATOM 0 HG3 GLN A 56 118.854 8.709 -0.314 1.00 0.00 H new ATOM 0 HE21 GLN A 56 120.495 9.383 1.226 1.00 0.00 H new ATOM 0 HE22 GLN A 56 121.444 8.204 2.136 1.00 0.00 H new ATOM 902 N THR A 57 117.829 6.116 -4.114 1.00 0.00 N ATOM 903 CA THR A 57 118.469 6.123 -5.467 1.00 0.00 C ATOM 904 C THR A 57 117.903 7.286 -6.289 1.00 0.00 C ATOM 905 O THR A 57 116.831 7.782 -6.014 1.00 0.00 O ATOM 906 CB THR A 57 118.191 4.797 -6.191 1.00 0.00 C ATOM 907 OG1 THR A 57 117.858 5.056 -7.548 1.00 0.00 O ATOM 908 CG2 THR A 57 117.030 4.069 -5.517 1.00 0.00 C ATOM 0 H THR A 57 117.177 5.351 -3.940 1.00 0.00 H new ATOM 0 HA THR A 57 119.546 6.243 -5.353 1.00 0.00 H new ATOM 0 HB THR A 57 119.084 4.173 -6.145 1.00 0.00 H new ATOM 0 HG1 THR A 57 117.529 4.233 -7.967 1.00 0.00 H new ATOM 0 HG21 THR A 57 116.839 3.130 -6.036 1.00 0.00 H new ATOM 0 HG22 THR A 57 117.284 3.864 -4.477 1.00 0.00 H new ATOM 0 HG23 THR A 57 116.137 4.693 -5.556 1.00 0.00 H new ATOM 916 N PRO A 58 118.620 7.717 -7.295 1.00 0.00 N ATOM 917 CA PRO A 58 118.185 8.835 -8.171 1.00 0.00 C ATOM 918 C PRO A 58 116.667 8.846 -8.382 1.00 0.00 C ATOM 919 O PRO A 58 116.108 7.954 -8.989 1.00 0.00 O ATOM 920 CB PRO A 58 118.921 8.546 -9.478 1.00 0.00 C ATOM 921 CG PRO A 58 120.193 7.867 -9.067 1.00 0.00 C ATOM 922 CD PRO A 58 119.927 7.185 -7.714 1.00 0.00 C ATOM 0 HA PRO A 58 118.411 9.814 -7.748 1.00 0.00 H new ATOM 0 HB2 PRO A 58 118.327 7.908 -10.132 1.00 0.00 H new ATOM 0 HB3 PRO A 58 119.124 9.465 -10.028 1.00 0.00 H new ATOM 0 HG2 PRO A 58 120.497 7.134 -9.814 1.00 0.00 H new ATOM 0 HG3 PRO A 58 121.005 8.590 -8.981 1.00 0.00 H new ATOM 0 HD2 PRO A 58 119.903 6.100 -7.813 1.00 0.00 H new ATOM 0 HD3 PRO A 58 120.705 7.422 -6.988 1.00 0.00 H new ATOM 930 N LYS A 59 115.997 9.845 -7.876 1.00 0.00 N ATOM 931 CA LYS A 59 114.516 9.906 -8.036 1.00 0.00 C ATOM 932 C LYS A 59 114.147 10.303 -9.468 1.00 0.00 C ATOM 933 O LYS A 59 114.943 10.201 -10.381 1.00 0.00 O ATOM 934 CB LYS A 59 113.924 10.928 -7.052 1.00 0.00 C ATOM 935 CG LYS A 59 114.827 12.166 -6.925 1.00 0.00 C ATOM 936 CD LYS A 59 115.360 12.613 -8.298 1.00 0.00 C ATOM 937 CE LYS A 59 116.219 13.875 -8.137 1.00 0.00 C ATOM 938 NZ LYS A 59 117.659 13.509 -8.249 1.00 0.00 N ATOM 0 H LYS A 59 116.410 10.621 -7.359 1.00 0.00 H new ATOM 0 HA LYS A 59 114.105 8.918 -7.826 1.00 0.00 H new ATOM 0 HB2 LYS A 59 112.933 11.231 -7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 59 113.799 10.464 -6.074 1.00 0.00 H new ATOM 0 HG2 LYS A 59 114.267 12.981 -6.467 1.00 0.00 H new ATOM 0 HG3 LYS A 59 115.664 11.942 -6.263 1.00 0.00 H new ATOM 0 HD2 LYS A 59 115.951 11.814 -8.746 1.00 0.00 H new ATOM 0 HD3 LYS A 59 114.528 12.812 -8.974 1.00 0.00 H new ATOM 0 HE2 LYS A 59 115.958 14.607 -8.902 1.00 0.00 H new ATOM 0 HE3 LYS A 59 116.024 14.340 -7.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 118.244 14.362 -8.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 117.902 12.825 -7.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 117.838 13.084 -9.181 1.00 0.00 H new ATOM 952 N ILE A 60 112.936 10.749 -9.663 1.00 0.00 N ATOM 953 CA ILE A 60 112.485 11.152 -11.023 1.00 0.00 C ATOM 954 C ILE A 60 111.353 12.174 -10.886 1.00 0.00 C ATOM 955 O ILE A 60 110.715 12.265 -9.857 1.00 0.00 O ATOM 956 CB ILE A 60 111.977 9.915 -11.787 1.00 0.00 C ATOM 957 CG1 ILE A 60 111.709 8.766 -10.796 1.00 0.00 C ATOM 958 CG2 ILE A 60 113.030 9.470 -12.807 1.00 0.00 C ATOM 959 CD1 ILE A 60 110.563 7.888 -11.306 1.00 0.00 C ATOM 0 H ILE A 60 112.234 10.852 -8.930 1.00 0.00 H new ATOM 0 HA ILE A 60 113.316 11.593 -11.573 1.00 0.00 H new ATOM 0 HB ILE A 60 111.053 10.170 -12.306 1.00 0.00 H new ATOM 0 HG12 ILE A 60 112.610 8.165 -10.671 1.00 0.00 H new ATOM 0 HG13 ILE A 60 111.458 9.172 -9.816 1.00 0.00 H new ATOM 0 HG21 ILE A 60 112.667 8.595 -13.346 1.00 0.00 H new ATOM 0 HG22 ILE A 60 113.217 10.279 -13.513 1.00 0.00 H new ATOM 0 HG23 ILE A 60 113.956 9.219 -12.289 1.00 0.00 H new ATOM 0 HD11 ILE A 60 110.382 7.079 -10.598 1.00 0.00 H new ATOM 0 HD12 ILE A 60 109.660 8.491 -11.407 1.00 0.00 H new ATOM 0 HD13 ILE A 60 110.830 7.468 -12.276 1.00 0.00 H new ATOM 971 N ALA A 61 111.098 12.942 -11.910 1.00 0.00 N ATOM 972 CA ALA A 61 110.005 13.953 -11.824 1.00 0.00 C ATOM 973 C ALA A 61 108.701 13.260 -11.433 1.00 0.00 C ATOM 974 O ALA A 61 107.875 12.953 -12.269 1.00 0.00 O ATOM 975 CB ALA A 61 109.825 14.641 -13.178 1.00 0.00 C ATOM 0 H ALA A 61 111.597 12.914 -12.799 1.00 0.00 H new ATOM 0 HA ALA A 61 110.266 14.698 -11.073 1.00 0.00 H new ATOM 0 HB1 ALA A 61 109.025 15.378 -13.108 1.00 0.00 H new ATOM 0 HB2 ALA A 61 110.753 15.138 -13.460 1.00 0.00 H new ATOM 0 HB3 ALA A 61 109.568 13.898 -13.933 1.00 0.00 H new ATOM 981 N CYS A 62 108.511 13.016 -10.166 1.00 0.00 N ATOM 982 CA CYS A 62 107.261 12.347 -9.709 1.00 0.00 C ATOM 983 C CYS A 62 106.062 12.960 -10.433 1.00 0.00 C ATOM 984 O CYS A 62 105.497 12.371 -11.332 1.00 0.00 O ATOM 985 CB CYS A 62 107.106 12.560 -8.205 1.00 0.00 C ATOM 986 SG CYS A 62 108.290 11.526 -7.324 1.00 0.00 S ATOM 0 H CYS A 62 109.171 13.252 -9.425 1.00 0.00 H new ATOM 0 HA CYS A 62 107.311 11.281 -9.930 1.00 0.00 H new ATOM 0 HB2 CYS A 62 107.269 13.609 -7.957 1.00 0.00 H new ATOM 0 HB3 CYS A 62 106.091 12.313 -7.895 1.00 0.00 H new ATOM 991 N LYS A 63 105.676 14.144 -10.049 1.00 0.00 N ATOM 992 CA LYS A 63 104.520 14.802 -10.716 1.00 0.00 C ATOM 993 C LYS A 63 104.982 15.391 -12.047 1.00 0.00 C ATOM 994 O LYS A 63 104.636 14.915 -13.109 1.00 0.00 O ATOM 995 CB LYS A 63 103.987 15.923 -9.819 1.00 0.00 C ATOM 996 CG LYS A 63 103.110 15.331 -8.707 1.00 0.00 C ATOM 997 CD LYS A 63 101.670 15.179 -9.206 1.00 0.00 C ATOM 998 CE LYS A 63 100.792 14.641 -8.075 1.00 0.00 C ATOM 999 NZ LYS A 63 100.855 15.571 -6.912 1.00 0.00 N ATOM 0 H LYS A 63 106.112 14.684 -9.302 1.00 0.00 H new ATOM 0 HA LYS A 63 103.730 14.072 -10.891 1.00 0.00 H new ATOM 0 HB2 LYS A 63 104.818 16.477 -9.382 1.00 0.00 H new ATOM 0 HB3 LYS A 63 103.408 16.631 -10.412 1.00 0.00 H new ATOM 0 HG2 LYS A 63 103.502 14.362 -8.400 1.00 0.00 H new ATOM 0 HG3 LYS A 63 103.134 15.977 -7.830 1.00 0.00 H new ATOM 0 HD2 LYS A 63 101.290 16.141 -9.550 1.00 0.00 H new ATOM 0 HD3 LYS A 63 101.639 14.501 -10.059 1.00 0.00 H new ATOM 0 HE2 LYS A 63 99.762 14.539 -8.417 1.00 0.00 H new ATOM 0 HE3 LYS A 63 101.130 13.648 -7.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 100.025 15.423 -6.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 101.721 15.387 -6.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 100.863 16.553 -7.253 1.00 0.00 H new ATOM 1013 N ASN A 64 105.771 16.422 -11.986 1.00 0.00 N ATOM 1014 CA ASN A 64 106.283 17.063 -13.227 1.00 0.00 C ATOM 1015 C ASN A 64 107.653 17.653 -12.917 1.00 0.00 C ATOM 1016 O ASN A 64 108.129 18.552 -13.581 1.00 0.00 O ATOM 1017 CB ASN A 64 105.328 18.176 -13.658 1.00 0.00 C ATOM 1018 CG ASN A 64 105.601 18.550 -15.117 1.00 0.00 C ATOM 1019 OD1 ASN A 64 106.301 19.505 -15.391 1.00 0.00 O ATOM 1020 ND2 ASN A 64 105.074 17.833 -16.071 1.00 0.00 N ATOM 0 H ASN A 64 106.088 16.855 -11.118 1.00 0.00 H new ATOM 0 HA ASN A 64 106.357 16.333 -14.033 1.00 0.00 H new ATOM 0 HB2 ASN A 64 104.295 17.847 -13.543 1.00 0.00 H new ATOM 0 HB3 ASN A 64 105.458 19.049 -13.018 1.00 0.00 H new ATOM 0 HD21 ASN A 64 105.250 18.074 -17.046 1.00 0.00 H new ATOM 0 HD22 ASN A 64 104.486 17.031 -15.841 1.00 0.00 H new ATOM 1027 N GLY A 65 108.280 17.148 -11.894 1.00 0.00 N ATOM 1028 CA GLY A 65 109.619 17.661 -11.497 1.00 0.00 C ATOM 1029 C GLY A 65 109.733 17.633 -9.973 1.00 0.00 C ATOM 1030 O GLY A 65 110.608 18.248 -9.397 1.00 0.00 O ATOM 0 H GLY A 65 107.918 16.394 -11.310 1.00 0.00 H new ATOM 0 HA2 GLY A 65 110.403 17.050 -11.944 1.00 0.00 H new ATOM 0 HA3 GLY A 65 109.757 18.677 -11.866 1.00 0.00 H new ATOM 1034 N ASP A 66 108.854 16.925 -9.310 1.00 0.00 N ATOM 1035 CA ASP A 66 108.922 16.864 -7.821 1.00 0.00 C ATOM 1036 C ASP A 66 110.210 16.158 -7.400 1.00 0.00 C ATOM 1037 O ASP A 66 110.883 16.571 -6.477 1.00 0.00 O ATOM 1038 CB ASP A 66 107.718 16.079 -7.285 1.00 0.00 C ATOM 1039 CG ASP A 66 106.792 17.012 -6.499 1.00 0.00 C ATOM 1040 OD1 ASP A 66 107.299 17.782 -5.699 1.00 0.00 O ATOM 1041 OD2 ASP A 66 105.593 16.941 -6.711 1.00 0.00 O ATOM 0 H ASP A 66 108.096 16.390 -9.734 1.00 0.00 H new ATOM 0 HA ASP A 66 108.908 17.876 -7.416 1.00 0.00 H new ATOM 0 HB2 ASP A 66 107.173 15.624 -8.112 1.00 0.00 H new ATOM 0 HB3 ASP A 66 108.059 15.267 -6.643 1.00 0.00 H new ATOM 1046 N LYS A 67 110.553 15.091 -8.066 1.00 0.00 N ATOM 1047 CA LYS A 67 111.790 14.352 -7.700 1.00 0.00 C ATOM 1048 C LYS A 67 111.599 13.706 -6.325 1.00 0.00 C ATOM 1049 O LYS A 67 112.436 13.825 -5.453 1.00 0.00 O ATOM 1050 CB LYS A 67 112.980 15.322 -7.653 1.00 0.00 C ATOM 1051 CG LYS A 67 112.798 16.434 -8.698 1.00 0.00 C ATOM 1052 CD LYS A 67 114.162 16.835 -9.268 1.00 0.00 C ATOM 1053 CE LYS A 67 114.039 18.178 -9.991 1.00 0.00 C ATOM 1054 NZ LYS A 67 113.633 19.231 -9.019 1.00 0.00 N ATOM 0 H LYS A 67 110.029 14.700 -8.848 1.00 0.00 H new ATOM 0 HA LYS A 67 111.989 13.581 -8.444 1.00 0.00 H new ATOM 0 HB2 LYS A 67 113.064 15.758 -6.658 1.00 0.00 H new ATOM 0 HB3 LYS A 67 113.907 14.782 -7.844 1.00 0.00 H new ATOM 0 HG2 LYS A 67 112.145 16.089 -9.500 1.00 0.00 H new ATOM 0 HG3 LYS A 67 112.315 17.299 -8.243 1.00 0.00 H new ATOM 0 HD2 LYS A 67 114.896 16.908 -8.465 1.00 0.00 H new ATOM 0 HD3 LYS A 67 114.519 16.070 -9.958 1.00 0.00 H new ATOM 0 HE2 LYS A 67 114.990 18.442 -10.453 1.00 0.00 H new ATOM 0 HE3 LYS A 67 113.304 18.105 -10.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 114.020 20.149 -9.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 112.595 19.288 -8.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 114.000 18.993 -8.076 1.00 0.00 H new ATOM 1068 N ASN A 68 110.491 13.039 -6.117 1.00 0.00 N ATOM 1069 CA ASN A 68 110.240 12.401 -4.785 1.00 0.00 C ATOM 1070 C ASN A 68 110.027 10.884 -4.926 1.00 0.00 C ATOM 1071 O ASN A 68 109.802 10.199 -3.939 1.00 0.00 O ATOM 1072 CB ASN A 68 108.991 13.028 -4.159 1.00 0.00 C ATOM 1073 CG ASN A 68 108.978 12.755 -2.654 1.00 0.00 C ATOM 1074 OD1 ASN A 68 108.972 11.616 -2.231 1.00 0.00 O ATOM 1075 ND2 ASN A 68 108.975 13.759 -1.820 1.00 0.00 N ATOM 0 H ASN A 68 109.752 12.908 -6.807 1.00 0.00 H new ATOM 0 HA ASN A 68 111.111 12.568 -4.151 1.00 0.00 H new ATOM 0 HB2 ASN A 68 108.980 14.102 -4.344 1.00 0.00 H new ATOM 0 HB3 ASN A 68 108.094 12.615 -4.621 1.00 0.00 H new ATOM 0 HD21 ASN A 68 108.968 13.587 -0.815 1.00 0.00 H new ATOM 0 HD22 ASN A 68 108.980 14.716 -2.174 1.00 0.00 H new ATOM 1082 N CYS A 69 110.097 10.347 -6.127 1.00 0.00 N ATOM 1083 CA CYS A 69 109.897 8.884 -6.307 1.00 0.00 C ATOM 1084 C CYS A 69 111.262 8.214 -6.389 1.00 0.00 C ATOM 1085 O CYS A 69 112.262 8.862 -6.605 1.00 0.00 O ATOM 1086 CB CYS A 69 109.113 8.628 -7.595 1.00 0.00 C ATOM 1087 SG CYS A 69 107.616 9.645 -7.604 1.00 0.00 S ATOM 0 H CYS A 69 110.284 10.866 -6.985 1.00 0.00 H new ATOM 0 HA CYS A 69 109.335 8.476 -5.467 1.00 0.00 H new ATOM 0 HB2 CYS A 69 109.730 8.864 -8.462 1.00 0.00 H new ATOM 0 HB3 CYS A 69 108.849 7.573 -7.669 1.00 0.00 H new ATOM 1092 N HIS A 70 111.320 6.928 -6.214 1.00 0.00 N ATOM 1093 CA HIS A 70 112.634 6.231 -6.273 1.00 0.00 C ATOM 1094 C HIS A 70 112.416 4.821 -6.789 1.00 0.00 C ATOM 1095 O HIS A 70 111.709 4.039 -6.190 1.00 0.00 O ATOM 1096 CB HIS A 70 113.227 6.142 -4.872 1.00 0.00 C ATOM 1097 CG HIS A 70 113.911 7.427 -4.503 1.00 0.00 C ATOM 1098 ND1 HIS A 70 115.281 7.505 -4.296 1.00 0.00 N ATOM 1099 CD2 HIS A 70 113.427 8.688 -4.282 1.00 0.00 C ATOM 1100 CE1 HIS A 70 115.570 8.777 -3.964 1.00 0.00 C ATOM 1101 NE2 HIS A 70 114.475 9.537 -3.942 1.00 0.00 N ATOM 0 H HIS A 70 110.516 6.327 -6.033 1.00 0.00 H new ATOM 0 HA HIS A 70 113.309 6.781 -6.928 1.00 0.00 H new ATOM 0 HB2 HIS A 70 112.439 5.924 -4.151 1.00 0.00 H new ATOM 0 HB3 HIS A 70 113.939 5.318 -4.825 1.00 0.00 H new ATOM 0 HD2 HIS A 70 112.390 8.979 -4.360 1.00 0.00 H new ATOM 0 HE1 HIS A 70 116.564 9.137 -3.743 1.00 0.00 H new ATOM 0 HE2 HIS A 70 114.418 10.531 -3.722 1.00 0.00 H new ATOM 1110 N GLN A 71 113.015 4.489 -7.888 1.00 0.00 N ATOM 1111 CA GLN A 71 112.831 3.120 -8.443 1.00 0.00 C ATOM 1112 C GLN A 71 113.965 2.202 -7.987 1.00 0.00 C ATOM 1113 O GLN A 71 115.132 2.521 -8.105 1.00 0.00 O ATOM 1114 CB GLN A 71 112.763 3.201 -9.972 1.00 0.00 C ATOM 1115 CG GLN A 71 113.579 2.075 -10.620 1.00 0.00 C ATOM 1116 CD GLN A 71 113.334 2.072 -12.130 1.00 0.00 C ATOM 1117 OE1 GLN A 71 112.448 2.886 -12.636 1.00 0.00 O flip ATOM 1118 NE2 GLN A 71 113.954 1.322 -12.856 1.00 0.00 N flip ATOM 0 H GLN A 71 113.625 5.102 -8.430 1.00 0.00 H new ATOM 0 HA GLN A 71 111.897 2.697 -8.072 1.00 0.00 H new ATOM 0 HB2 GLN A 71 111.725 3.136 -10.297 1.00 0.00 H new ATOM 0 HB3 GLN A 71 113.141 4.167 -10.306 1.00 0.00 H new ATOM 0 HG2 GLN A 71 114.640 2.215 -10.413 1.00 0.00 H new ATOM 0 HG3 GLN A 71 113.295 1.113 -10.193 1.00 0.00 H new ATOM 0 HE21 GLN A 71 114.646 0.686 -12.460 1.00 0.00 H new ATOM 0 HE22 GLN A 71 113.783 1.328 -13.861 1.00 0.00 H new ATOM 1127 N SER A 72 113.616 1.055 -7.471 1.00 0.00 N ATOM 1128 CA SER A 72 114.649 0.092 -7.005 1.00 0.00 C ATOM 1129 C SER A 72 115.704 -0.086 -8.099 1.00 0.00 C ATOM 1130 O SER A 72 115.391 -0.150 -9.272 1.00 0.00 O ATOM 1131 CB SER A 72 113.988 -1.256 -6.712 1.00 0.00 C ATOM 1132 OG SER A 72 113.352 -1.202 -5.442 1.00 0.00 O ATOM 0 H SER A 72 112.652 0.743 -7.352 1.00 0.00 H new ATOM 0 HA SER A 72 115.122 0.471 -6.099 1.00 0.00 H new ATOM 0 HB2 SER A 72 113.259 -1.492 -7.487 1.00 0.00 H new ATOM 0 HB3 SER A 72 114.734 -2.050 -6.724 1.00 0.00 H new ATOM 0 HG SER A 72 112.415 -0.939 -5.556 1.00 0.00 H new ATOM 1138 N HIS A 73 116.951 -0.170 -7.728 1.00 0.00 N ATOM 1139 CA HIS A 73 118.021 -0.348 -8.749 1.00 0.00 C ATOM 1140 C HIS A 73 117.991 -1.789 -9.265 1.00 0.00 C ATOM 1141 O HIS A 73 118.990 -2.325 -9.702 1.00 0.00 O ATOM 1142 CB HIS A 73 119.382 -0.065 -8.108 1.00 0.00 C ATOM 1143 CG HIS A 73 119.725 1.394 -8.252 1.00 0.00 C ATOM 1144 ND1 HIS A 73 119.421 2.117 -9.397 1.00 0.00 N ATOM 1145 CD2 HIS A 73 120.351 2.277 -7.406 1.00 0.00 C ATOM 1146 CE1 HIS A 73 119.860 3.376 -9.211 1.00 0.00 C ATOM 1147 NE2 HIS A 73 120.434 3.523 -8.016 1.00 0.00 N ATOM 0 H HIS A 73 117.276 -0.123 -6.762 1.00 0.00 H new ATOM 0 HA HIS A 73 117.858 0.340 -9.578 1.00 0.00 H new ATOM 0 HB2 HIS A 73 119.361 -0.340 -7.053 1.00 0.00 H new ATOM 0 HB3 HIS A 73 120.150 -0.676 -8.581 1.00 0.00 H new ATOM 0 HD1 HIS A 73 118.950 1.759 -10.228 1.00 0.00 H new ATOM 0 HD2 HIS A 73 120.721 2.040 -6.420 1.00 0.00 H new ATOM 0 HE1 HIS A 73 119.760 4.168 -9.938 1.00 0.00 H new ATOM 1156 N GLY A 74 116.853 -2.419 -9.217 1.00 0.00 N ATOM 1157 CA GLY A 74 116.763 -3.825 -9.703 1.00 0.00 C ATOM 1158 C GLY A 74 115.399 -4.409 -9.332 1.00 0.00 C ATOM 1159 O GLY A 74 114.551 -3.729 -8.790 1.00 0.00 O ATOM 0 H GLY A 74 115.982 -2.024 -8.863 1.00 0.00 H new ATOM 0 HA2 GLY A 74 116.902 -3.857 -10.784 1.00 0.00 H new ATOM 0 HA3 GLY A 74 117.559 -4.425 -9.262 1.00 0.00 H new ATOM 1163 N PRO A 75 115.193 -5.663 -9.629 1.00 0.00 N ATOM 1164 CA PRO A 75 113.912 -6.362 -9.333 1.00 0.00 C ATOM 1165 C PRO A 75 113.790 -6.763 -7.858 1.00 0.00 C ATOM 1166 O PRO A 75 114.622 -7.476 -7.331 1.00 0.00 O ATOM 1167 CB PRO A 75 113.972 -7.603 -10.225 1.00 0.00 C ATOM 1168 CG PRO A 75 115.429 -7.898 -10.383 1.00 0.00 C ATOM 1169 CD PRO A 75 116.163 -6.555 -10.285 1.00 0.00 C ATOM 0 HA PRO A 75 113.048 -5.726 -9.523 1.00 0.00 H new ATOM 0 HB2 PRO A 75 113.447 -8.442 -9.769 1.00 0.00 H new ATOM 0 HB3 PRO A 75 113.500 -7.418 -11.190 1.00 0.00 H new ATOM 0 HG2 PRO A 75 115.771 -8.584 -9.608 1.00 0.00 H new ATOM 0 HG3 PRO A 75 115.625 -8.377 -11.342 1.00 0.00 H new ATOM 0 HD2 PRO A 75 117.080 -6.644 -9.703 1.00 0.00 H new ATOM 0 HD3 PRO A 75 116.445 -6.182 -11.270 1.00 0.00 H new ATOM 1177 N VAL A 76 112.754 -6.319 -7.189 1.00 0.00 N ATOM 1178 CA VAL A 76 112.574 -6.683 -5.754 1.00 0.00 C ATOM 1179 C VAL A 76 111.409 -7.665 -5.649 1.00 0.00 C ATOM 1180 O VAL A 76 110.401 -7.519 -6.316 1.00 0.00 O ATOM 1181 CB VAL A 76 112.264 -5.417 -4.934 1.00 0.00 C ATOM 1182 CG1 VAL A 76 111.518 -4.411 -5.805 1.00 0.00 C ATOM 1183 CG2 VAL A 76 111.409 -5.780 -3.713 1.00 0.00 C ATOM 0 H VAL A 76 112.026 -5.720 -7.578 1.00 0.00 H new ATOM 0 HA VAL A 76 113.484 -7.140 -5.365 1.00 0.00 H new ATOM 0 HB VAL A 76 113.200 -4.975 -4.593 1.00 0.00 H new ATOM 0 HG11 VAL A 76 111.300 -3.516 -5.222 1.00 0.00 H new ATOM 0 HG12 VAL A 76 112.135 -4.144 -6.663 1.00 0.00 H new ATOM 0 HG13 VAL A 76 110.585 -4.853 -6.154 1.00 0.00 H new ATOM 0 HG21 VAL A 76 111.194 -4.879 -3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 76 110.474 -6.230 -4.045 1.00 0.00 H new ATOM 0 HG23 VAL A 76 111.951 -6.489 -3.087 1.00 0.00 H new ATOM 1193 N SER A 77 111.530 -8.659 -4.816 1.00 0.00 N ATOM 1194 CA SER A 77 110.418 -9.635 -4.670 1.00 0.00 C ATOM 1195 C SER A 77 109.210 -8.902 -4.093 1.00 0.00 C ATOM 1196 O SER A 77 108.995 -8.884 -2.906 1.00 0.00 O ATOM 1197 CB SER A 77 110.840 -10.758 -3.721 1.00 0.00 C ATOM 1198 OG SER A 77 111.453 -10.194 -2.570 1.00 0.00 O ATOM 0 H SER A 77 112.347 -8.837 -4.232 1.00 0.00 H new ATOM 0 HA SER A 77 110.168 -10.068 -5.639 1.00 0.00 H new ATOM 0 HB2 SER A 77 109.972 -11.351 -3.432 1.00 0.00 H new ATOM 0 HB3 SER A 77 111.534 -11.433 -4.223 1.00 0.00 H new ATOM 0 HG SER A 77 111.723 -10.911 -1.959 1.00 0.00 H new ATOM 1204 N LEU A 78 108.427 -8.283 -4.925 1.00 0.00 N ATOM 1205 CA LEU A 78 107.244 -7.539 -4.421 1.00 0.00 C ATOM 1206 C LEU A 78 106.015 -8.444 -4.448 1.00 0.00 C ATOM 1207 O LEU A 78 106.083 -9.591 -4.841 1.00 0.00 O ATOM 1208 CB LEU A 78 107.002 -6.330 -5.312 1.00 0.00 C ATOM 1209 CG LEU A 78 106.657 -6.789 -6.732 1.00 0.00 C ATOM 1210 CD1 LEU A 78 105.172 -7.168 -6.832 1.00 0.00 C ATOM 1211 CD2 LEU A 78 106.955 -5.647 -7.698 1.00 0.00 C ATOM 0 H LEU A 78 108.555 -8.260 -5.937 1.00 0.00 H new ATOM 0 HA LEU A 78 107.426 -7.214 -3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 78 106.189 -5.727 -4.908 1.00 0.00 H new ATOM 0 HB3 LEU A 78 107.890 -5.698 -5.331 1.00 0.00 H new ATOM 0 HG LEU A 78 107.254 -7.666 -6.982 1.00 0.00 H new ATOM 0 HD11 LEU A 78 104.947 -7.491 -7.848 1.00 0.00 H new ATOM 0 HD12 LEU A 78 104.956 -7.979 -6.137 1.00 0.00 H new ATOM 0 HD13 LEU A 78 104.558 -6.303 -6.582 1.00 0.00 H new ATOM 0 HD21 LEU A 78 106.714 -5.958 -8.715 1.00 0.00 H new ATOM 0 HD22 LEU A 78 106.352 -4.779 -7.432 1.00 0.00 H new ATOM 0 HD23 LEU A 78 108.012 -5.387 -7.639 1.00 0.00 H new ATOM 1223 N THR A 79 104.890 -7.932 -4.033 1.00 0.00 N ATOM 1224 CA THR A 79 103.647 -8.749 -4.031 1.00 0.00 C ATOM 1225 C THR A 79 102.461 -7.883 -4.446 1.00 0.00 C ATOM 1226 O THR A 79 102.013 -7.032 -3.706 1.00 0.00 O ATOM 1227 CB THR A 79 103.412 -9.296 -2.625 1.00 0.00 C ATOM 1228 OG1 THR A 79 104.093 -10.535 -2.485 1.00 0.00 O ATOM 1229 CG2 THR A 79 101.921 -9.510 -2.377 1.00 0.00 C ATOM 0 H THR A 79 104.779 -6.977 -3.693 1.00 0.00 H new ATOM 0 HA THR A 79 103.751 -9.574 -4.736 1.00 0.00 H new ATOM 0 HB THR A 79 103.790 -8.576 -1.899 1.00 0.00 H new ATOM 0 HG1 THR A 79 105.032 -10.423 -2.742 1.00 0.00 H new ATOM 0 HG21 THR A 79 101.772 -9.900 -1.370 1.00 0.00 H new ATOM 0 HG22 THR A 79 101.395 -8.561 -2.480 1.00 0.00 H new ATOM 0 HG23 THR A 79 101.530 -10.222 -3.104 1.00 0.00 H new ATOM 1237 N MET A 80 101.940 -8.101 -5.616 1.00 0.00 N ATOM 1238 CA MET A 80 100.769 -7.295 -6.057 1.00 0.00 C ATOM 1239 C MET A 80 99.481 -7.984 -5.600 1.00 0.00 C ATOM 1240 O MET A 80 99.099 -9.013 -6.123 1.00 0.00 O ATOM 1241 CB MET A 80 100.764 -7.176 -7.583 1.00 0.00 C ATOM 1242 CG MET A 80 102.183 -6.907 -8.080 1.00 0.00 C ATOM 1243 SD MET A 80 102.120 -6.291 -9.781 1.00 0.00 S ATOM 1244 CE MET A 80 101.935 -7.894 -10.598 1.00 0.00 C ATOM 0 H MET A 80 102.270 -8.797 -6.284 1.00 0.00 H new ATOM 0 HA MET A 80 100.832 -6.299 -5.619 1.00 0.00 H new ATOM 0 HB2 MET A 80 100.380 -8.094 -8.028 1.00 0.00 H new ATOM 0 HB3 MET A 80 100.100 -6.369 -7.893 1.00 0.00 H new ATOM 0 HG2 MET A 80 102.673 -6.177 -7.436 1.00 0.00 H new ATOM 0 HG3 MET A 80 102.775 -7.821 -8.035 1.00 0.00 H new ATOM 0 HE1 MET A 80 101.911 -7.751 -11.678 1.00 0.00 H new ATOM 0 HE2 MET A 80 102.776 -8.535 -10.335 1.00 0.00 H new ATOM 0 HE3 MET A 80 101.006 -8.363 -10.273 1.00 0.00 H new ATOM 1254 N CYS A 81 98.803 -7.428 -4.629 1.00 0.00 N ATOM 1255 CA CYS A 81 97.539 -8.056 -4.158 1.00 0.00 C ATOM 1256 C CYS A 81 96.366 -7.423 -4.895 1.00 0.00 C ATOM 1257 O CYS A 81 96.400 -6.259 -5.236 1.00 0.00 O ATOM 1258 CB CYS A 81 97.363 -7.817 -2.662 1.00 0.00 C ATOM 1259 SG CYS A 81 98.927 -8.111 -1.806 1.00 0.00 S ATOM 0 H CYS A 81 99.071 -6.571 -4.146 1.00 0.00 H new ATOM 0 HA CYS A 81 97.578 -9.128 -4.352 1.00 0.00 H new ATOM 0 HB2 CYS A 81 97.028 -6.795 -2.485 1.00 0.00 H new ATOM 0 HB3 CYS A 81 96.592 -8.479 -2.267 1.00 0.00 H new ATOM 1264 N LYS A 82 95.325 -8.172 -5.144 1.00 0.00 N ATOM 1265 CA LYS A 82 94.160 -7.602 -5.853 1.00 0.00 C ATOM 1266 C LYS A 82 92.882 -8.008 -5.119 1.00 0.00 C ATOM 1267 O LYS A 82 92.841 -9.016 -4.443 1.00 0.00 O ATOM 1268 CB LYS A 82 94.138 -8.127 -7.295 1.00 0.00 C ATOM 1269 CG LYS A 82 93.178 -9.311 -7.396 1.00 0.00 C ATOM 1270 CD LYS A 82 93.391 -10.034 -8.728 1.00 0.00 C ATOM 1271 CE LYS A 82 92.326 -11.119 -8.896 1.00 0.00 C ATOM 1272 NZ LYS A 82 91.011 -10.483 -9.190 1.00 0.00 N ATOM 0 H LYS A 82 95.238 -9.154 -4.884 1.00 0.00 H new ATOM 0 HA LYS A 82 94.228 -6.514 -5.875 1.00 0.00 H new ATOM 0 HB2 LYS A 82 93.827 -7.335 -7.976 1.00 0.00 H new ATOM 0 HB3 LYS A 82 95.140 -8.432 -7.597 1.00 0.00 H new ATOM 0 HG2 LYS A 82 93.345 -9.999 -6.567 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.148 -8.964 -7.320 1.00 0.00 H new ATOM 0 HD2 LYS A 82 93.335 -9.323 -9.553 1.00 0.00 H new ATOM 0 HD3 LYS A 82 94.386 -10.478 -8.758 1.00 0.00 H new ATOM 0 HE2 LYS A 82 92.604 -11.795 -9.705 1.00 0.00 H new ATOM 0 HE3 LYS A 82 92.257 -11.719 -7.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 90.367 -11.190 -9.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 90.602 -10.109 -8.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 91.145 -9.705 -9.867 1.00 0.00 H new ATOM 1286 N LEU A 83 91.835 -7.243 -5.248 1.00 0.00 N ATOM 1287 CA LEU A 83 90.576 -7.617 -4.554 1.00 0.00 C ATOM 1288 C LEU A 83 89.927 -8.768 -5.306 1.00 0.00 C ATOM 1289 O LEU A 83 89.423 -8.613 -6.401 1.00 0.00 O ATOM 1290 CB LEU A 83 89.613 -6.425 -4.492 1.00 0.00 C ATOM 1291 CG LEU A 83 88.241 -6.881 -3.970 1.00 0.00 C ATOM 1292 CD1 LEU A 83 88.421 -7.788 -2.755 1.00 0.00 C ATOM 1293 CD2 LEU A 83 87.419 -5.662 -3.543 1.00 0.00 C ATOM 0 H LEU A 83 91.797 -6.385 -5.798 1.00 0.00 H new ATOM 0 HA LEU A 83 90.806 -7.919 -3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 83 90.020 -5.652 -3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 83 89.505 -5.983 -5.482 1.00 0.00 H new ATOM 0 HG LEU A 83 87.728 -7.421 -4.766 1.00 0.00 H new ATOM 0 HD11 LEU A 83 87.444 -8.107 -2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 83 89.006 -8.663 -3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 83 88.941 -7.243 -1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 83 86.447 -5.990 -3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 83 87.946 -5.127 -2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 83 87.278 -5.001 -4.398 1.00 0.00 H new ATOM 1305 N THR A 84 89.944 -9.923 -4.719 1.00 0.00 N ATOM 1306 CA THR A 84 89.337 -11.103 -5.381 1.00 0.00 C ATOM 1307 C THR A 84 87.825 -10.907 -5.462 1.00 0.00 C ATOM 1308 O THR A 84 87.234 -11.072 -6.509 1.00 0.00 O ATOM 1309 CB THR A 84 89.666 -12.371 -4.586 1.00 0.00 C ATOM 1310 OG1 THR A 84 88.957 -12.355 -3.357 1.00 0.00 O ATOM 1311 CG2 THR A 84 91.177 -12.438 -4.311 1.00 0.00 C ATOM 0 H THR A 84 90.355 -10.103 -3.803 1.00 0.00 H new ATOM 0 HA THR A 84 89.741 -11.210 -6.388 1.00 0.00 H new ATOM 0 HB THR A 84 89.371 -13.246 -5.165 1.00 0.00 H new ATOM 0 HG1 THR A 84 89.127 -11.509 -2.892 1.00 0.00 H new ATOM 0 HG21 THR A 84 91.404 -13.342 -3.746 1.00 0.00 H new ATOM 0 HG22 THR A 84 91.719 -12.456 -5.257 1.00 0.00 H new ATOM 0 HG23 THR A 84 91.481 -11.564 -3.735 1.00 0.00 H new ATOM 1319 N SER A 85 87.188 -10.535 -4.375 1.00 0.00 N ATOM 1320 CA SER A 85 85.705 -10.316 -4.437 1.00 0.00 C ATOM 1321 C SER A 85 85.090 -10.295 -3.033 1.00 0.00 C ATOM 1322 O SER A 85 85.668 -10.763 -2.074 1.00 0.00 O ATOM 1323 CB SER A 85 85.049 -11.436 -5.251 1.00 0.00 C ATOM 1324 OG SER A 85 84.927 -11.022 -6.606 1.00 0.00 O ATOM 0 H SER A 85 87.620 -10.376 -3.465 1.00 0.00 H new ATOM 0 HA SER A 85 85.527 -9.352 -4.913 1.00 0.00 H new ATOM 0 HB2 SER A 85 85.647 -12.345 -5.189 1.00 0.00 H new ATOM 0 HB3 SER A 85 84.067 -11.672 -4.841 1.00 0.00 H new ATOM 0 HG SER A 85 85.730 -11.285 -7.102 1.00 0.00 H new ATOM 1330 N GLY A 86 83.903 -9.753 -2.924 1.00 0.00 N ATOM 1331 CA GLY A 86 83.204 -9.687 -1.611 1.00 0.00 C ATOM 1332 C GLY A 86 82.469 -8.350 -1.506 1.00 0.00 C ATOM 1333 O GLY A 86 81.263 -8.310 -1.421 1.00 0.00 O ATOM 0 H GLY A 86 83.384 -9.348 -3.703 1.00 0.00 H new ATOM 0 HA2 GLY A 86 82.499 -10.513 -1.518 1.00 0.00 H new ATOM 0 HA3 GLY A 86 83.922 -9.787 -0.797 1.00 0.00 H new ATOM 1337 N LYS A 87 83.214 -7.270 -1.519 1.00 0.00 N ATOM 1338 CA LYS A 87 82.647 -5.883 -1.431 1.00 0.00 C ATOM 1339 C LYS A 87 83.615 -5.031 -0.609 1.00 0.00 C ATOM 1340 O LYS A 87 84.797 -5.000 -0.877 1.00 0.00 O ATOM 1341 CB LYS A 87 81.268 -5.890 -0.758 1.00 0.00 C ATOM 1342 CG LYS A 87 80.188 -6.188 -1.802 1.00 0.00 C ATOM 1343 CD LYS A 87 79.431 -4.904 -2.155 1.00 0.00 C ATOM 1344 CE LYS A 87 78.422 -5.195 -3.267 1.00 0.00 C ATOM 1345 NZ LYS A 87 79.137 -5.737 -4.457 1.00 0.00 N ATOM 0 H LYS A 87 84.231 -7.294 -1.590 1.00 0.00 H new ATOM 0 HA LYS A 87 82.524 -5.477 -2.435 1.00 0.00 H new ATOM 0 HB2 LYS A 87 81.241 -6.641 0.032 1.00 0.00 H new ATOM 0 HB3 LYS A 87 81.077 -4.926 -0.288 1.00 0.00 H new ATOM 0 HG2 LYS A 87 80.643 -6.609 -2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 87 79.494 -6.935 -1.416 1.00 0.00 H new ATOM 0 HD2 LYS A 87 78.917 -4.519 -1.275 1.00 0.00 H new ATOM 0 HD3 LYS A 87 80.131 -4.133 -2.477 1.00 0.00 H new ATOM 0 HE2 LYS A 87 77.678 -5.911 -2.919 1.00 0.00 H new ATOM 0 HE3 LYS A 87 77.887 -4.284 -3.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 78.581 -5.544 -5.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 80.069 -5.282 -4.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 79.261 -6.764 -4.349 1.00 0.00 H new ATOM 1359 N TYR A 88 83.134 -4.352 0.395 1.00 0.00 N ATOM 1360 CA TYR A 88 84.043 -3.527 1.237 1.00 0.00 C ATOM 1361 C TYR A 88 84.184 -4.179 2.622 1.00 0.00 C ATOM 1362 O TYR A 88 85.269 -4.257 3.163 1.00 0.00 O ATOM 1363 CB TYR A 88 83.504 -2.092 1.367 1.00 0.00 C ATOM 1364 CG TYR A 88 83.795 -1.574 2.755 1.00 0.00 C ATOM 1365 CD1 TYR A 88 85.087 -1.686 3.285 1.00 0.00 C ATOM 1366 CD2 TYR A 88 82.770 -1.019 3.522 1.00 0.00 C ATOM 1367 CE1 TYR A 88 85.351 -1.238 4.583 1.00 0.00 C ATOM 1368 CE2 TYR A 88 83.031 -0.577 4.823 1.00 0.00 C ATOM 1369 CZ TYR A 88 84.321 -0.688 5.355 1.00 0.00 C ATOM 1370 OH TYR A 88 84.578 -0.253 6.639 1.00 0.00 O ATOM 0 H TYR A 88 82.151 -4.333 0.668 1.00 0.00 H new ATOM 0 HA TYR A 88 85.023 -3.476 0.764 1.00 0.00 H new ATOM 0 HB2 TYR A 88 83.969 -1.448 0.621 1.00 0.00 H new ATOM 0 HB3 TYR A 88 82.431 -2.076 1.178 1.00 0.00 H new ATOM 0 HD1 TYR A 88 85.879 -2.118 2.691 1.00 0.00 H new ATOM 0 HD2 TYR A 88 81.775 -0.931 3.111 1.00 0.00 H new ATOM 0 HE1 TYR A 88 86.349 -1.316 4.989 1.00 0.00 H new ATOM 0 HE2 TYR A 88 82.237 -0.150 5.417 1.00 0.00 H new ATOM 0 HH TYR A 88 83.755 0.102 7.035 1.00 0.00 H new ATOM 1380 N PRO A 89 83.107 -4.646 3.198 1.00 0.00 N ATOM 1381 CA PRO A 89 83.140 -5.290 4.531 1.00 0.00 C ATOM 1382 C PRO A 89 83.395 -6.801 4.434 1.00 0.00 C ATOM 1383 O PRO A 89 83.536 -7.482 5.430 1.00 0.00 O ATOM 1384 CB PRO A 89 81.740 -5.010 5.075 1.00 0.00 C ATOM 1385 CG PRO A 89 80.852 -4.967 3.868 1.00 0.00 C ATOM 1386 CD PRO A 89 81.739 -4.621 2.659 1.00 0.00 C ATOM 0 HA PRO A 89 83.943 -4.910 5.162 1.00 0.00 H new ATOM 0 HB2 PRO A 89 81.424 -5.789 5.769 1.00 0.00 H new ATOM 0 HB3 PRO A 89 81.710 -4.066 5.620 1.00 0.00 H new ATOM 0 HG2 PRO A 89 80.358 -5.927 3.720 1.00 0.00 H new ATOM 0 HG3 PRO A 89 80.067 -4.221 3.995 1.00 0.00 H new ATOM 0 HD2 PRO A 89 81.615 -5.345 1.854 1.00 0.00 H new ATOM 0 HD3 PRO A 89 81.490 -3.642 2.249 1.00 0.00 H new ATOM 1394 N ASN A 90 83.445 -7.328 3.236 1.00 0.00 N ATOM 1395 CA ASN A 90 83.680 -8.795 3.067 1.00 0.00 C ATOM 1396 C ASN A 90 84.591 -9.034 1.860 1.00 0.00 C ATOM 1397 O ASN A 90 84.514 -10.055 1.209 1.00 0.00 O ATOM 1398 CB ASN A 90 82.335 -9.488 2.825 1.00 0.00 C ATOM 1399 CG ASN A 90 82.375 -10.911 3.388 1.00 0.00 C ATOM 1400 OD1 ASN A 90 82.344 -11.872 2.645 1.00 0.00 O ATOM 1401 ND2 ASN A 90 82.443 -11.087 4.679 1.00 0.00 N ATOM 0 H ASN A 90 83.333 -6.805 2.367 1.00 0.00 H new ATOM 0 HA ASN A 90 84.153 -9.196 3.963 1.00 0.00 H new ATOM 0 HB2 ASN A 90 81.533 -8.922 3.300 1.00 0.00 H new ATOM 0 HB3 ASN A 90 82.117 -9.516 1.757 1.00 0.00 H new ATOM 0 HD21 ASN A 90 82.470 -12.031 5.064 1.00 0.00 H new ATOM 0 HD22 ASN A 90 82.469 -10.281 5.303 1.00 0.00 H new ATOM 1408 N CYS A 91 85.439 -8.096 1.551 1.00 0.00 N ATOM 1409 CA CYS A 91 86.340 -8.248 0.376 1.00 0.00 C ATOM 1410 C CYS A 91 87.559 -9.096 0.741 1.00 0.00 C ATOM 1411 O CYS A 91 88.270 -8.816 1.686 1.00 0.00 O ATOM 1412 CB CYS A 91 86.795 -6.854 -0.064 1.00 0.00 C ATOM 1413 SG CYS A 91 86.348 -5.654 1.209 1.00 0.00 S ATOM 0 H CYS A 91 85.548 -7.223 2.066 1.00 0.00 H new ATOM 0 HA CYS A 91 85.806 -8.748 -0.432 1.00 0.00 H new ATOM 0 HB2 CYS A 91 87.873 -6.845 -0.227 1.00 0.00 H new ATOM 0 HB3 CYS A 91 86.327 -6.588 -1.012 1.00 0.00 H new ATOM 1418 N ARG A 92 87.812 -10.121 -0.029 1.00 0.00 N ATOM 1419 CA ARG A 92 88.993 -10.995 0.223 1.00 0.00 C ATOM 1420 C ARG A 92 89.998 -10.754 -0.902 1.00 0.00 C ATOM 1421 O ARG A 92 89.620 -10.610 -2.055 1.00 0.00 O ATOM 1422 CB ARG A 92 88.558 -12.466 0.235 1.00 0.00 C ATOM 1423 CG ARG A 92 87.333 -12.647 -0.664 1.00 0.00 C ATOM 1424 CD ARG A 92 87.125 -14.135 -0.952 1.00 0.00 C ATOM 1425 NE ARG A 92 85.846 -14.324 -1.691 1.00 0.00 N ATOM 1426 CZ ARG A 92 85.449 -15.525 -2.013 1.00 0.00 C ATOM 1427 NH1 ARG A 92 86.173 -16.561 -1.687 1.00 0.00 N ATOM 1428 NH2 ARG A 92 84.328 -15.690 -2.661 1.00 0.00 N ATOM 0 H ARG A 92 87.243 -10.392 -0.831 1.00 0.00 H new ATOM 0 HA ARG A 92 89.443 -10.764 1.189 1.00 0.00 H new ATOM 0 HB2 ARG A 92 89.374 -13.100 -0.113 1.00 0.00 H new ATOM 0 HB3 ARG A 92 88.324 -12.778 1.253 1.00 0.00 H new ATOM 0 HG2 ARG A 92 86.449 -12.233 -0.179 1.00 0.00 H new ATOM 0 HG3 ARG A 92 87.470 -12.101 -1.597 1.00 0.00 H new ATOM 0 HD2 ARG A 92 87.957 -14.522 -1.539 1.00 0.00 H new ATOM 0 HD3 ARG A 92 87.105 -14.698 -0.019 1.00 0.00 H new ATOM 0 HE ARG A 92 85.280 -13.515 -1.946 1.00 0.00 H new ATOM 0 HH11 ARG A 92 87.049 -16.432 -1.181 1.00 0.00 H new ATOM 0 HH12 ARG A 92 85.863 -17.500 -1.939 1.00 0.00 H new ATOM 0 HH21 ARG A 92 83.762 -14.880 -2.916 1.00 0.00 H new ATOM 0 HH22 ARG A 92 84.018 -16.629 -2.913 1.00 0.00 H new ATOM 1442 N TYR A 93 91.266 -10.675 -0.580 1.00 0.00 N ATOM 1443 CA TYR A 93 92.290 -10.407 -1.626 1.00 0.00 C ATOM 1444 C TYR A 93 93.200 -11.614 -1.816 1.00 0.00 C ATOM 1445 O TYR A 93 93.288 -12.491 -0.981 1.00 0.00 O ATOM 1446 CB TYR A 93 93.143 -9.216 -1.193 1.00 0.00 C ATOM 1447 CG TYR A 93 92.256 -8.013 -1.017 1.00 0.00 C ATOM 1448 CD1 TYR A 93 91.339 -7.969 0.040 1.00 0.00 C ATOM 1449 CD2 TYR A 93 92.343 -6.945 -1.914 1.00 0.00 C ATOM 1450 CE1 TYR A 93 90.512 -6.857 0.200 1.00 0.00 C ATOM 1451 CE2 TYR A 93 91.514 -5.834 -1.755 1.00 0.00 C ATOM 1452 CZ TYR A 93 90.600 -5.790 -0.699 1.00 0.00 C ATOM 1453 OH TYR A 93 89.790 -4.693 -0.543 1.00 0.00 O ATOM 0 H TYR A 93 91.632 -10.785 0.365 1.00 0.00 H new ATOM 0 HA TYR A 93 91.780 -10.197 -2.566 1.00 0.00 H new ATOM 0 HB2 TYR A 93 93.659 -9.442 -0.260 1.00 0.00 H new ATOM 0 HB3 TYR A 93 93.910 -9.012 -1.940 1.00 0.00 H new ATOM 0 HD1 TYR A 93 91.272 -8.796 0.731 1.00 0.00 H new ATOM 0 HD2 TYR A 93 93.051 -6.979 -2.729 1.00 0.00 H new ATOM 0 HE1 TYR A 93 89.806 -6.820 1.016 1.00 0.00 H new ATOM 0 HE2 TYR A 93 91.579 -5.008 -2.448 1.00 0.00 H new ATOM 0 HH TYR A 93 89.813 -4.399 0.392 1.00 0.00 H new ATOM 1463 N LYS A 94 93.899 -11.631 -2.912 1.00 0.00 N ATOM 1464 CA LYS A 94 94.851 -12.731 -3.204 1.00 0.00 C ATOM 1465 C LYS A 94 96.232 -12.101 -3.337 1.00 0.00 C ATOM 1466 O LYS A 94 96.384 -11.045 -3.925 1.00 0.00 O ATOM 1467 CB LYS A 94 94.463 -13.423 -4.519 1.00 0.00 C ATOM 1468 CG LYS A 94 93.622 -14.671 -4.226 1.00 0.00 C ATOM 1469 CD LYS A 94 94.530 -15.816 -3.761 1.00 0.00 C ATOM 1470 CE LYS A 94 93.784 -17.145 -3.892 1.00 0.00 C ATOM 1471 NZ LYS A 94 93.692 -17.524 -5.331 1.00 0.00 N ATOM 0 H LYS A 94 93.849 -10.912 -3.633 1.00 0.00 H new ATOM 0 HA LYS A 94 94.838 -13.479 -2.411 1.00 0.00 H new ATOM 0 HB2 LYS A 94 93.900 -12.735 -5.149 1.00 0.00 H new ATOM 0 HB3 LYS A 94 95.360 -13.701 -5.072 1.00 0.00 H new ATOM 0 HG2 LYS A 94 92.881 -14.449 -3.458 1.00 0.00 H new ATOM 0 HG3 LYS A 94 93.075 -14.970 -5.120 1.00 0.00 H new ATOM 0 HD2 LYS A 94 95.441 -15.838 -4.359 1.00 0.00 H new ATOM 0 HD3 LYS A 94 94.832 -15.657 -2.726 1.00 0.00 H new ATOM 0 HE2 LYS A 94 94.304 -17.923 -3.333 1.00 0.00 H new ATOM 0 HE3 LYS A 94 92.786 -17.058 -3.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 93.555 -18.552 -5.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 92.887 -17.032 -5.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 94.570 -17.252 -5.818 1.00 0.00 H new ATOM 1485 N GLU A 95 97.235 -12.719 -2.784 1.00 0.00 N ATOM 1486 CA GLU A 95 98.598 -12.133 -2.866 1.00 0.00 C ATOM 1487 C GLU A 95 99.326 -12.687 -4.092 1.00 0.00 C ATOM 1488 O GLU A 95 99.466 -13.882 -4.261 1.00 0.00 O ATOM 1489 CB GLU A 95 99.370 -12.474 -1.579 1.00 0.00 C ATOM 1490 CG GLU A 95 100.165 -13.769 -1.761 1.00 0.00 C ATOM 1491 CD GLU A 95 100.698 -14.236 -0.405 1.00 0.00 C ATOM 1492 OE1 GLU A 95 100.496 -13.524 0.565 1.00 0.00 O ATOM 1493 OE2 GLU A 95 101.299 -15.297 -0.360 1.00 0.00 O ATOM 0 H GLU A 95 97.170 -13.603 -2.280 1.00 0.00 H new ATOM 0 HA GLU A 95 98.531 -11.050 -2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 95 100.046 -11.657 -1.326 1.00 0.00 H new ATOM 0 HB3 GLU A 95 98.674 -12.581 -0.747 1.00 0.00 H new ATOM 0 HG2 GLU A 95 99.530 -14.539 -2.199 1.00 0.00 H new ATOM 0 HG3 GLU A 95 100.992 -13.606 -2.452 1.00 0.00 H new ATOM 1500 N LYS A 96 99.802 -11.823 -4.944 1.00 0.00 N ATOM 1501 CA LYS A 96 100.539 -12.292 -6.151 1.00 0.00 C ATOM 1502 C LYS A 96 102.012 -11.933 -5.980 1.00 0.00 C ATOM 1503 O LYS A 96 102.390 -10.784 -6.053 1.00 0.00 O ATOM 1504 CB LYS A 96 99.981 -11.590 -7.392 1.00 0.00 C ATOM 1505 CG LYS A 96 100.470 -12.312 -8.651 1.00 0.00 C ATOM 1506 CD LYS A 96 100.053 -11.525 -9.900 1.00 0.00 C ATOM 1507 CE LYS A 96 98.603 -11.857 -10.263 1.00 0.00 C ATOM 1508 NZ LYS A 96 98.470 -13.324 -10.494 1.00 0.00 N ATOM 0 H LYS A 96 99.713 -10.811 -4.857 1.00 0.00 H new ATOM 0 HA LYS A 96 100.425 -13.369 -6.270 1.00 0.00 H new ATOM 0 HB2 LYS A 96 98.891 -11.587 -7.362 1.00 0.00 H new ATOM 0 HB3 LYS A 96 100.302 -10.549 -7.409 1.00 0.00 H new ATOM 0 HG2 LYS A 96 101.555 -12.417 -8.622 1.00 0.00 H new ATOM 0 HG3 LYS A 96 100.053 -13.318 -8.689 1.00 0.00 H new ATOM 0 HD2 LYS A 96 100.156 -10.455 -9.718 1.00 0.00 H new ATOM 0 HD3 LYS A 96 100.711 -11.772 -10.733 1.00 0.00 H new ATOM 0 HE2 LYS A 96 97.935 -11.543 -9.461 1.00 0.00 H new ATOM 0 HE3 LYS A 96 98.307 -11.309 -11.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 97.740 -13.497 -11.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 99.379 -13.707 -10.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 98.198 -13.792 -9.606 1.00 0.00 H new ATOM 1522 N ARG A 97 102.846 -12.903 -5.744 1.00 0.00 N ATOM 1523 CA ARG A 97 104.292 -12.603 -5.553 1.00 0.00 C ATOM 1524 C ARG A 97 104.956 -12.333 -6.902 1.00 0.00 C ATOM 1525 O ARG A 97 105.157 -13.230 -7.697 1.00 0.00 O ATOM 1526 CB ARG A 97 104.978 -13.797 -4.882 1.00 0.00 C ATOM 1527 CG ARG A 97 106.500 -13.640 -4.985 1.00 0.00 C ATOM 1528 CD ARG A 97 107.179 -14.538 -3.949 1.00 0.00 C ATOM 1529 NE ARG A 97 106.686 -15.935 -4.102 1.00 0.00 N ATOM 1530 CZ ARG A 97 107.086 -16.863 -3.276 1.00 0.00 C ATOM 1531 NH1 ARG A 97 107.919 -16.566 -2.316 1.00 0.00 N ATOM 1532 NH2 ARG A 97 106.654 -18.087 -3.409 1.00 0.00 N ATOM 0 H ARG A 97 102.592 -13.888 -5.675 1.00 0.00 H new ATOM 0 HA ARG A 97 104.389 -11.719 -4.923 1.00 0.00 H new ATOM 0 HB2 ARG A 97 104.679 -13.861 -3.836 1.00 0.00 H new ATOM 0 HB3 ARG A 97 104.665 -14.725 -5.360 1.00 0.00 H new ATOM 0 HG2 ARG A 97 106.836 -13.905 -5.987 1.00 0.00 H new ATOM 0 HG3 ARG A 97 106.781 -12.600 -4.819 1.00 0.00 H new ATOM 0 HD2 ARG A 97 108.261 -14.507 -4.079 1.00 0.00 H new ATOM 0 HD3 ARG A 97 106.968 -14.175 -2.943 1.00 0.00 H new ATOM 0 HE ARG A 97 106.035 -16.167 -4.853 1.00 0.00 H new ATOM 0 HH11 ARG A 97 108.257 -15.609 -2.212 1.00 0.00 H new ATOM 0 HH12 ARG A 97 108.232 -17.291 -1.670 1.00 0.00 H new ATOM 0 HH21 ARG A 97 106.003 -18.319 -4.159 1.00 0.00 H new ATOM 0 HH22 ARG A 97 106.967 -18.811 -2.763 1.00 0.00 H new ATOM 1546 N GLN A 98 105.320 -11.103 -7.154 1.00 0.00 N ATOM 1547 CA GLN A 98 106.000 -10.769 -8.440 1.00 0.00 C ATOM 1548 C GLN A 98 107.390 -10.211 -8.122 1.00 0.00 C ATOM 1549 O GLN A 98 107.673 -9.849 -7.003 1.00 0.00 O ATOM 1550 CB GLN A 98 105.177 -9.719 -9.200 1.00 0.00 C ATOM 1551 CG GLN A 98 105.336 -9.930 -10.708 1.00 0.00 C ATOM 1552 CD GLN A 98 104.598 -11.203 -11.127 1.00 0.00 C ATOM 1553 OE1 GLN A 98 103.424 -11.356 -10.855 1.00 0.00 O ATOM 1554 NE2 GLN A 98 105.242 -12.130 -11.782 1.00 0.00 N ATOM 0 H GLN A 98 105.175 -10.314 -6.524 1.00 0.00 H new ATOM 0 HA GLN A 98 106.091 -11.660 -9.061 1.00 0.00 H new ATOM 0 HB2 GLN A 98 104.126 -9.796 -8.921 1.00 0.00 H new ATOM 0 HB3 GLN A 98 105.507 -8.717 -8.927 1.00 0.00 H new ATOM 0 HG2 GLN A 98 104.938 -9.072 -11.250 1.00 0.00 H new ATOM 0 HG3 GLN A 98 106.392 -10.008 -10.965 1.00 0.00 H new ATOM 0 HE21 GLN A 98 106.228 -12.002 -12.010 1.00 0.00 H new ATOM 0 HE22 GLN A 98 104.760 -12.983 -12.065 1.00 0.00 H new ATOM 1563 N ASN A 99 108.258 -10.139 -9.094 1.00 0.00 N ATOM 1564 CA ASN A 99 109.628 -9.595 -8.844 1.00 0.00 C ATOM 1565 C ASN A 99 109.935 -8.532 -9.890 1.00 0.00 C ATOM 1566 O ASN A 99 110.157 -8.829 -11.047 1.00 0.00 O ATOM 1567 CB ASN A 99 110.655 -10.725 -8.946 1.00 0.00 C ATOM 1568 CG ASN A 99 110.320 -11.814 -7.925 1.00 0.00 C ATOM 1569 OD1 ASN A 99 109.149 -12.389 -7.964 1.00 0.00 O flip ATOM 1570 ND2 ASN A 99 111.131 -12.145 -7.084 1.00 0.00 N flip ATOM 0 H ASN A 99 108.079 -10.434 -10.054 1.00 0.00 H new ATOM 0 HA ASN A 99 109.675 -9.157 -7.847 1.00 0.00 H new ATOM 0 HB2 ASN A 99 110.653 -11.143 -9.953 1.00 0.00 H new ATOM 0 HB3 ASN A 99 111.657 -10.337 -8.764 1.00 0.00 H new ATOM 0 HD21 ASN A 99 112.046 -11.696 -7.053 1.00 0.00 H new ATOM 0 HD22 ASN A 99 110.897 -12.872 -6.408 1.00 0.00 H new ATOM 1577 N LYS A 100 109.959 -7.296 -9.490 1.00 0.00 N ATOM 1578 CA LYS A 100 110.258 -6.205 -10.455 1.00 0.00 C ATOM 1579 C LYS A 100 110.741 -4.985 -9.681 1.00 0.00 C ATOM 1580 O LYS A 100 110.518 -4.862 -8.494 1.00 0.00 O ATOM 1581 CB LYS A 100 109.002 -5.828 -11.260 1.00 0.00 C ATOM 1582 CG LYS A 100 107.915 -6.898 -11.105 1.00 0.00 C ATOM 1583 CD LYS A 100 106.604 -6.392 -11.722 1.00 0.00 C ATOM 1584 CE LYS A 100 106.349 -7.098 -13.057 1.00 0.00 C ATOM 1585 NZ LYS A 100 105.063 -6.616 -13.636 1.00 0.00 N ATOM 0 H LYS A 100 109.784 -6.992 -8.532 1.00 0.00 H new ATOM 0 HA LYS A 100 111.025 -6.547 -11.150 1.00 0.00 H new ATOM 0 HB2 LYS A 100 108.622 -4.865 -10.920 1.00 0.00 H new ATOM 0 HB3 LYS A 100 109.260 -5.715 -12.313 1.00 0.00 H new ATOM 0 HG2 LYS A 100 108.227 -7.821 -11.594 1.00 0.00 H new ATOM 0 HG3 LYS A 100 107.767 -7.130 -10.050 1.00 0.00 H new ATOM 0 HD2 LYS A 100 105.775 -6.577 -11.039 1.00 0.00 H new ATOM 0 HD3 LYS A 100 106.656 -5.314 -11.875 1.00 0.00 H new ATOM 0 HE2 LYS A 100 107.168 -6.899 -13.748 1.00 0.00 H new ATOM 0 HE3 LYS A 100 106.312 -8.177 -12.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 104.889 -7.095 -14.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 104.285 -6.827 -12.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 105.116 -5.589 -13.792 1.00 0.00 H new ATOM 1599 N SER A 101 111.389 -4.078 -10.346 1.00 0.00 N ATOM 1600 CA SER A 101 111.876 -2.858 -9.649 1.00 0.00 C ATOM 1601 C SER A 101 110.730 -1.853 -9.595 1.00 0.00 C ATOM 1602 O SER A 101 110.230 -1.422 -10.610 1.00 0.00 O ATOM 1603 CB SER A 101 113.059 -2.267 -10.418 1.00 0.00 C ATOM 1604 OG SER A 101 113.767 -3.315 -11.066 1.00 0.00 O ATOM 0 H SER A 101 111.604 -4.126 -11.342 1.00 0.00 H new ATOM 0 HA SER A 101 112.206 -3.101 -8.639 1.00 0.00 H new ATOM 0 HB2 SER A 101 112.705 -1.543 -11.152 1.00 0.00 H new ATOM 0 HB3 SER A 101 113.721 -1.733 -9.736 1.00 0.00 H new ATOM 0 HG SER A 101 114.525 -2.940 -11.561 1.00 0.00 H new ATOM 1610 N TYR A 102 110.288 -1.492 -8.424 1.00 0.00 N ATOM 1611 CA TYR A 102 109.152 -0.538 -8.328 1.00 0.00 C ATOM 1612 C TYR A 102 109.657 0.854 -8.021 1.00 0.00 C ATOM 1613 O TYR A 102 110.841 1.094 -7.949 1.00 0.00 O ATOM 1614 CB TYR A 102 108.249 -0.968 -7.182 1.00 0.00 C ATOM 1615 CG TYR A 102 109.105 -1.276 -5.971 1.00 0.00 C ATOM 1616 CD1 TYR A 102 109.934 -0.292 -5.402 1.00 0.00 C ATOM 1617 CD2 TYR A 102 109.060 -2.548 -5.407 1.00 0.00 C ATOM 1618 CE1 TYR A 102 110.710 -0.597 -4.278 1.00 0.00 C ATOM 1619 CE2 TYR A 102 109.829 -2.846 -4.282 1.00 0.00 C ATOM 1620 CZ TYR A 102 110.658 -1.873 -3.719 1.00 0.00 C ATOM 1621 OH TYR A 102 111.419 -2.174 -2.609 1.00 0.00 O ATOM 0 H TYR A 102 110.663 -1.815 -7.532 1.00 0.00 H new ATOM 0 HA TYR A 102 108.615 -0.534 -9.277 1.00 0.00 H new ATOM 0 HB2 TYR A 102 107.535 -0.178 -6.948 1.00 0.00 H new ATOM 0 HB3 TYR A 102 107.670 -1.846 -7.468 1.00 0.00 H new ATOM 0 HD1 TYR A 102 109.972 0.698 -5.832 1.00 0.00 H new ATOM 0 HD2 TYR A 102 108.427 -3.307 -5.842 1.00 0.00 H new ATOM 0 HE1 TYR A 102 111.350 0.157 -3.843 1.00 0.00 H new ATOM 0 HE2 TYR A 102 109.783 -3.832 -3.845 1.00 0.00 H new ATOM 0 HH TYR A 102 110.962 -2.856 -2.074 1.00 0.00 H new ATOM 1631 N VAL A 103 108.749 1.767 -7.812 1.00 0.00 N ATOM 1632 CA VAL A 103 109.140 3.158 -7.475 1.00 0.00 C ATOM 1633 C VAL A 103 108.378 3.607 -6.247 1.00 0.00 C ATOM 1634 O VAL A 103 107.183 3.820 -6.286 1.00 0.00 O ATOM 1635 CB VAL A 103 108.800 4.080 -8.630 1.00 0.00 C ATOM 1636 CG1 VAL A 103 109.806 5.239 -8.699 1.00 0.00 C ATOM 1637 CG2 VAL A 103 108.835 3.260 -9.908 1.00 0.00 C ATOM 0 H VAL A 103 107.743 1.603 -7.862 1.00 0.00 H new ATOM 0 HA VAL A 103 110.212 3.194 -7.283 1.00 0.00 H new ATOM 0 HB VAL A 103 107.809 4.512 -8.493 1.00 0.00 H new ATOM 0 HG11 VAL A 103 109.551 5.893 -9.532 1.00 0.00 H new ATOM 0 HG12 VAL A 103 109.772 5.806 -7.769 1.00 0.00 H new ATOM 0 HG13 VAL A 103 110.810 4.841 -8.845 1.00 0.00 H new ATOM 0 HG21 VAL A 103 108.594 3.899 -10.757 1.00 0.00 H new ATOM 0 HG22 VAL A 103 109.831 2.838 -10.043 1.00 0.00 H new ATOM 0 HG23 VAL A 103 108.105 2.453 -9.843 1.00 0.00 H new ATOM 1647 N VAL A 104 109.064 3.765 -5.166 1.00 0.00 N ATOM 1648 CA VAL A 104 108.391 4.220 -3.921 1.00 0.00 C ATOM 1649 C VAL A 104 108.890 5.629 -3.587 1.00 0.00 C ATOM 1650 O VAL A 104 110.027 5.969 -3.848 1.00 0.00 O ATOM 1651 CB VAL A 104 108.670 3.229 -2.768 1.00 0.00 C ATOM 1652 CG1 VAL A 104 109.613 2.123 -3.241 1.00 0.00 C ATOM 1653 CG2 VAL A 104 109.296 3.950 -1.571 1.00 0.00 C ATOM 0 H VAL A 104 110.067 3.600 -5.083 1.00 0.00 H new ATOM 0 HA VAL A 104 107.311 4.251 -4.063 1.00 0.00 H new ATOM 0 HB VAL A 104 107.720 2.792 -2.460 1.00 0.00 H new ATOM 0 HG11 VAL A 104 109.802 1.431 -2.421 1.00 0.00 H new ATOM 0 HG12 VAL A 104 109.155 1.585 -4.071 1.00 0.00 H new ATOM 0 HG13 VAL A 104 110.555 2.563 -3.569 1.00 0.00 H new ATOM 0 HG21 VAL A 104 109.484 3.233 -0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 104 110.237 4.410 -1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 104 108.614 4.721 -1.214 1.00 0.00 H new ATOM 1663 N ALA A 105 108.051 6.457 -3.021 1.00 0.00 N ATOM 1664 CA ALA A 105 108.486 7.839 -2.687 1.00 0.00 C ATOM 1665 C ALA A 105 109.020 7.859 -1.262 1.00 0.00 C ATOM 1666 O ALA A 105 108.860 6.909 -0.520 1.00 0.00 O ATOM 1667 CB ALA A 105 107.303 8.802 -2.817 1.00 0.00 C ATOM 0 H ALA A 105 107.086 6.234 -2.777 1.00 0.00 H new ATOM 0 HA ALA A 105 109.270 8.154 -3.375 1.00 0.00 H new ATOM 0 HB1 ALA A 105 107.628 9.813 -2.571 1.00 0.00 H new ATOM 0 HB2 ALA A 105 106.927 8.781 -3.840 1.00 0.00 H new ATOM 0 HB3 ALA A 105 106.510 8.499 -2.133 1.00 0.00 H new ATOM 1673 N CYS A 106 109.687 8.914 -0.881 1.00 0.00 N ATOM 1674 CA CYS A 106 110.260 8.956 0.501 1.00 0.00 C ATOM 1675 C CYS A 106 109.873 10.249 1.222 1.00 0.00 C ATOM 1676 O CYS A 106 109.605 11.264 0.610 1.00 0.00 O ATOM 1677 CB CYS A 106 111.789 8.859 0.409 1.00 0.00 C ATOM 1678 SG CYS A 106 112.269 8.500 -1.297 1.00 0.00 S ATOM 0 H CYS A 106 109.860 9.739 -1.455 1.00 0.00 H new ATOM 0 HA CYS A 106 109.859 8.118 1.071 1.00 0.00 H new ATOM 0 HB2 CYS A 106 112.244 9.794 0.737 1.00 0.00 H new ATOM 0 HB3 CYS A 106 112.155 8.076 1.073 1.00 0.00 H new ATOM 1683 N LYS A 107 109.855 10.213 2.533 1.00 0.00 N ATOM 1684 CA LYS A 107 109.501 11.433 3.314 1.00 0.00 C ATOM 1685 C LYS A 107 110.230 11.406 4.661 1.00 0.00 C ATOM 1686 O LYS A 107 110.665 10.364 5.127 1.00 0.00 O ATOM 1687 CB LYS A 107 107.982 11.472 3.556 1.00 0.00 C ATOM 1688 CG LYS A 107 107.291 12.300 2.457 1.00 0.00 C ATOM 1689 CD LYS A 107 106.064 13.021 3.031 1.00 0.00 C ATOM 1690 CE LYS A 107 104.952 12.009 3.318 1.00 0.00 C ATOM 1691 NZ LYS A 107 104.220 11.706 2.056 1.00 0.00 N ATOM 0 H LYS A 107 110.071 9.389 3.094 1.00 0.00 H new ATOM 0 HA LYS A 107 109.800 12.319 2.754 1.00 0.00 H new ATOM 0 HB2 LYS A 107 107.581 10.458 3.564 1.00 0.00 H new ATOM 0 HB3 LYS A 107 107.773 11.905 4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 107 107.990 13.028 2.046 1.00 0.00 H new ATOM 0 HG3 LYS A 107 106.989 11.649 1.637 1.00 0.00 H new ATOM 0 HD2 LYS A 107 106.335 13.546 3.947 1.00 0.00 H new ATOM 0 HD3 LYS A 107 105.710 13.773 2.326 1.00 0.00 H new ATOM 0 HE2 LYS A 107 105.376 11.095 3.734 1.00 0.00 H new ATOM 0 HE3 LYS A 107 104.264 12.409 4.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 103.569 10.911 2.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 103.679 12.543 1.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 104.901 11.452 1.312 1.00 0.00 H new ATOM 1705 N PRO A 108 110.357 12.550 5.285 1.00 0.00 N ATOM 1706 CA PRO A 108 111.031 12.672 6.606 1.00 0.00 C ATOM 1707 C PRO A 108 110.231 11.974 7.720 1.00 0.00 C ATOM 1708 O PRO A 108 109.031 12.135 7.818 1.00 0.00 O ATOM 1709 CB PRO A 108 111.092 14.186 6.856 1.00 0.00 C ATOM 1710 CG PRO A 108 110.011 14.770 6.008 1.00 0.00 C ATOM 1711 CD PRO A 108 109.876 13.854 4.794 1.00 0.00 C ATOM 0 HA PRO A 108 112.013 12.198 6.607 1.00 0.00 H new ATOM 0 HB2 PRO A 108 110.934 14.417 7.909 1.00 0.00 H new ATOM 0 HB3 PRO A 108 112.067 14.590 6.584 1.00 0.00 H new ATOM 0 HG2 PRO A 108 109.072 14.826 6.559 1.00 0.00 H new ATOM 0 HG3 PRO A 108 110.262 15.786 5.703 1.00 0.00 H new ATOM 0 HD2 PRO A 108 108.844 13.796 4.449 1.00 0.00 H new ATOM 0 HD3 PRO A 108 110.473 14.211 3.955 1.00 0.00 H new ATOM 1719 N PRO A 109 110.890 11.211 8.554 1.00 0.00 N ATOM 1720 CA PRO A 109 110.226 10.489 9.674 1.00 0.00 C ATOM 1721 C PRO A 109 109.287 11.410 10.460 1.00 0.00 C ATOM 1722 O PRO A 109 109.722 12.268 11.202 1.00 0.00 O ATOM 1723 CB PRO A 109 111.392 10.025 10.553 1.00 0.00 C ATOM 1724 CG PRO A 109 112.594 9.989 9.669 1.00 0.00 C ATOM 1725 CD PRO A 109 112.335 10.960 8.518 1.00 0.00 C ATOM 0 HA PRO A 109 109.602 9.667 9.323 1.00 0.00 H new ATOM 0 HB2 PRO A 109 111.544 10.708 11.389 1.00 0.00 H new ATOM 0 HB3 PRO A 109 111.192 9.041 10.977 1.00 0.00 H new ATOM 0 HG2 PRO A 109 113.488 10.277 10.222 1.00 0.00 H new ATOM 0 HG3 PRO A 109 112.764 8.981 9.291 1.00 0.00 H new ATOM 0 HD2 PRO A 109 112.900 11.884 8.646 1.00 0.00 H new ATOM 0 HD3 PRO A 109 112.638 10.531 7.563 1.00 0.00 H new ATOM 1733 N GLN A 110 108.001 11.243 10.300 1.00 0.00 N ATOM 1734 CA GLN A 110 107.040 12.113 11.035 1.00 0.00 C ATOM 1735 C GLN A 110 107.448 12.187 12.505 1.00 0.00 C ATOM 1736 O GLN A 110 108.232 13.024 12.904 1.00 0.00 O ATOM 1737 CB GLN A 110 105.630 11.523 10.934 1.00 0.00 C ATOM 1738 CG GLN A 110 105.265 11.295 9.468 1.00 0.00 C ATOM 1739 CD GLN A 110 104.846 12.621 8.829 1.00 0.00 C ATOM 1740 OE1 GLN A 110 103.672 12.880 8.656 1.00 0.00 O ATOM 1741 NE2 GLN A 110 105.763 13.476 8.469 1.00 0.00 N ATOM 0 H GLN A 110 107.576 10.542 9.693 1.00 0.00 H new ATOM 0 HA GLN A 110 107.049 13.111 10.598 1.00 0.00 H new ATOM 0 HB2 GLN A 110 105.580 10.581 11.481 1.00 0.00 H new ATOM 0 HB3 GLN A 110 104.910 12.198 11.396 1.00 0.00 H new ATOM 0 HG2 GLN A 110 106.116 10.875 8.932 1.00 0.00 H new ATOM 0 HG3 GLN A 110 104.453 10.572 9.394 1.00 0.00 H new ATOM 0 HE21 GLN A 110 106.749 13.258 8.614 1.00 0.00 H new ATOM 0 HE22 GLN A 110 105.494 14.363 8.042 1.00 0.00 H new ATOM 1750 N LYS A 111 106.919 11.308 13.308 1.00 0.00 N ATOM 1751 CA LYS A 111 107.261 11.301 14.755 1.00 0.00 C ATOM 1752 C LYS A 111 107.531 9.863 15.188 1.00 0.00 C ATOM 1753 O LYS A 111 108.341 9.607 16.055 1.00 0.00 O ATOM 1754 CB LYS A 111 106.086 11.860 15.556 1.00 0.00 C ATOM 1755 CG LYS A 111 104.838 11.003 15.306 1.00 0.00 C ATOM 1756 CD LYS A 111 103.581 11.845 15.530 1.00 0.00 C ATOM 1757 CE LYS A 111 103.532 12.317 16.984 1.00 0.00 C ATOM 1758 NZ LYS A 111 104.523 13.413 17.184 1.00 0.00 N ATOM 0 H LYS A 111 106.258 10.587 13.020 1.00 0.00 H new ATOM 0 HA LYS A 111 108.144 11.915 14.932 1.00 0.00 H new ATOM 0 HB2 LYS A 111 106.328 11.867 16.619 1.00 0.00 H new ATOM 0 HB3 LYS A 111 105.894 12.893 15.266 1.00 0.00 H new ATOM 0 HG2 LYS A 111 104.850 10.614 14.288 1.00 0.00 H new ATOM 0 HG3 LYS A 111 104.835 10.143 15.976 1.00 0.00 H new ATOM 0 HD2 LYS A 111 103.582 12.703 14.858 1.00 0.00 H new ATOM 0 HD3 LYS A 111 102.692 11.259 15.297 1.00 0.00 H new ATOM 0 HE2 LYS A 111 102.530 12.669 17.230 1.00 0.00 H new ATOM 0 HE3 LYS A 111 103.752 11.486 17.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 104.119 14.136 17.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 105.388 13.025 17.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 104.755 13.843 16.266 1.00 0.00 H new ATOM 1772 N LYS A 112 106.860 8.919 14.585 1.00 0.00 N ATOM 1773 CA LYS A 112 107.088 7.502 14.963 1.00 0.00 C ATOM 1774 C LYS A 112 108.522 7.119 14.594 1.00 0.00 C ATOM 1775 O LYS A 112 109.156 6.354 15.290 1.00 0.00 O ATOM 1776 CB LYS A 112 106.082 6.603 14.225 1.00 0.00 C ATOM 1777 CG LYS A 112 105.428 5.636 15.214 1.00 0.00 C ATOM 1778 CD LYS A 112 106.453 4.593 15.664 1.00 0.00 C ATOM 1779 CE LYS A 112 105.759 3.530 16.518 1.00 0.00 C ATOM 1780 NZ LYS A 112 104.727 2.832 15.700 1.00 0.00 N ATOM 0 H LYS A 112 106.168 9.070 13.851 1.00 0.00 H new ATOM 0 HA LYS A 112 106.945 7.370 16.036 1.00 0.00 H new ATOM 0 HB2 LYS A 112 105.320 7.215 13.742 1.00 0.00 H new ATOM 0 HB3 LYS A 112 106.589 6.045 13.438 1.00 0.00 H new ATOM 0 HG2 LYS A 112 105.048 6.183 16.077 1.00 0.00 H new ATOM 0 HG3 LYS A 112 104.574 5.144 14.747 1.00 0.00 H new ATOM 0 HD2 LYS A 112 106.920 4.129 14.796 1.00 0.00 H new ATOM 0 HD3 LYS A 112 107.248 5.072 16.236 1.00 0.00 H new ATOM 0 HE2 LYS A 112 106.490 2.812 16.890 1.00 0.00 H new ATOM 0 HE3 LYS A 112 105.296 3.993 17.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 104.806 1.805 15.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 103.780 3.150 15.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 104.873 3.053 14.694 1.00 0.00 H new ATOM 1794 N ASP A 113 109.039 7.663 13.512 1.00 0.00 N ATOM 1795 CA ASP A 113 110.449 7.353 13.089 1.00 0.00 C ATOM 1796 C ASP A 113 110.941 6.055 13.737 1.00 0.00 C ATOM 1797 O ASP A 113 111.289 6.025 14.901 1.00 0.00 O ATOM 1798 CB ASP A 113 111.362 8.503 13.518 1.00 0.00 C ATOM 1799 CG ASP A 113 112.737 8.335 12.871 1.00 0.00 C ATOM 1800 OD1 ASP A 113 113.264 7.236 12.923 1.00 0.00 O ATOM 1801 OD2 ASP A 113 113.239 9.308 12.335 1.00 0.00 O ATOM 0 H ASP A 113 108.543 8.311 12.901 1.00 0.00 H new ATOM 0 HA ASP A 113 110.470 7.231 12.006 1.00 0.00 H new ATOM 0 HB2 ASP A 113 110.925 9.457 13.224 1.00 0.00 H new ATOM 0 HB3 ASP A 113 111.459 8.518 14.604 1.00 0.00 H new ATOM 1806 N SER A 114 110.972 4.982 12.998 1.00 0.00 N ATOM 1807 CA SER A 114 111.433 3.697 13.588 1.00 0.00 C ATOM 1808 C SER A 114 112.877 3.819 14.080 1.00 0.00 C ATOM 1809 O SER A 114 113.341 3.004 14.851 1.00 0.00 O ATOM 1810 CB SER A 114 111.316 2.573 12.553 1.00 0.00 C ATOM 1811 OG SER A 114 110.372 1.614 13.012 1.00 0.00 O ATOM 0 H SER A 114 110.699 4.940 12.016 1.00 0.00 H new ATOM 0 HA SER A 114 110.799 3.458 14.442 1.00 0.00 H new ATOM 0 HB2 SER A 114 111.002 2.979 11.591 1.00 0.00 H new ATOM 0 HB3 SER A 114 112.286 2.101 12.399 1.00 0.00 H new ATOM 0 HG SER A 114 110.291 0.893 12.353 1.00 0.00 H new ATOM 1817 N GLN A 115 113.594 4.825 13.660 1.00 0.00 N ATOM 1818 CA GLN A 115 114.996 4.958 14.143 1.00 0.00 C ATOM 1819 C GLN A 115 115.584 6.313 13.743 1.00 0.00 C ATOM 1820 O GLN A 115 116.063 7.047 14.582 1.00 0.00 O ATOM 1821 CB GLN A 115 115.859 3.832 13.557 1.00 0.00 C ATOM 1822 CG GLN A 115 115.385 3.491 12.144 1.00 0.00 C ATOM 1823 CD GLN A 115 116.361 2.503 11.504 1.00 0.00 C ATOM 1824 OE1 GLN A 115 117.330 2.901 10.887 1.00 0.00 O ATOM 1825 NE2 GLN A 115 116.147 1.221 11.624 1.00 0.00 N ATOM 0 H GLN A 115 113.277 5.549 13.015 1.00 0.00 H new ATOM 0 HA GLN A 115 114.991 4.888 15.231 1.00 0.00 H new ATOM 0 HB2 GLN A 115 116.905 4.138 13.535 1.00 0.00 H new ATOM 0 HB3 GLN A 115 115.799 2.949 14.193 1.00 0.00 H new ATOM 0 HG2 GLN A 115 114.385 3.060 12.179 1.00 0.00 H new ATOM 0 HG3 GLN A 115 115.321 4.397 11.542 1.00 0.00 H new ATOM 0 HE21 GLN A 115 115.334 0.886 12.141 1.00 0.00 H new ATOM 0 HE22 GLN A 115 116.792 0.554 11.200 1.00 0.00 H new ATOM 1834 N GLN A 116 115.570 6.646 12.476 1.00 0.00 N ATOM 1835 CA GLN A 116 116.163 7.959 12.043 1.00 0.00 C ATOM 1836 C GLN A 116 116.418 7.969 10.530 1.00 0.00 C ATOM 1837 O GLN A 116 117.323 8.625 10.056 1.00 0.00 O ATOM 1838 CB GLN A 116 117.513 8.157 12.739 1.00 0.00 C ATOM 1839 CG GLN A 116 118.327 6.859 12.629 1.00 0.00 C ATOM 1840 CD GLN A 116 119.819 7.175 12.753 1.00 0.00 C ATOM 1841 OE1 GLN A 116 120.464 6.760 13.696 1.00 0.00 O ATOM 1842 NE2 GLN A 116 120.399 7.896 11.833 1.00 0.00 N ATOM 0 H GLN A 116 115.179 6.075 11.726 1.00 0.00 H new ATOM 0 HA GLN A 116 115.461 8.751 12.305 1.00 0.00 H new ATOM 0 HB2 GLN A 116 118.056 8.982 12.279 1.00 0.00 H new ATOM 0 HB3 GLN A 116 117.362 8.419 13.786 1.00 0.00 H new ATOM 0 HG2 GLN A 116 118.027 6.162 13.412 1.00 0.00 H new ATOM 0 HG3 GLN A 116 118.126 6.372 11.675 1.00 0.00 H new ATOM 0 HE21 GLN A 116 119.858 8.244 11.042 1.00 0.00 H new ATOM 0 HE22 GLN A 116 121.393 8.111 11.905 1.00 0.00 H new ATOM 1851 N PHE A 117 115.656 7.241 9.771 1.00 0.00 N ATOM 1852 CA PHE A 117 115.891 7.208 8.294 1.00 0.00 C ATOM 1853 C PHE A 117 116.136 8.615 7.743 1.00 0.00 C ATOM 1854 O PHE A 117 117.233 8.928 7.331 1.00 0.00 O ATOM 1855 CB PHE A 117 114.677 6.601 7.602 1.00 0.00 C ATOM 1856 CG PHE A 117 114.253 5.381 8.373 1.00 0.00 C ATOM 1857 CD1 PHE A 117 113.497 5.521 9.540 1.00 0.00 C ATOM 1858 CD2 PHE A 117 114.633 4.110 7.932 1.00 0.00 C ATOM 1859 CE1 PHE A 117 113.117 4.392 10.265 1.00 0.00 C ATOM 1860 CE2 PHE A 117 114.253 2.979 8.656 1.00 0.00 C ATOM 1861 CZ PHE A 117 113.495 3.117 9.823 1.00 0.00 C ATOM 0 H PHE A 117 114.881 6.666 10.102 1.00 0.00 H new ATOM 0 HA PHE A 117 116.777 6.603 8.101 1.00 0.00 H new ATOM 0 HB2 PHE A 117 113.863 7.325 7.560 1.00 0.00 H new ATOM 0 HB3 PHE A 117 114.920 6.334 6.574 1.00 0.00 H new ATOM 0 HD1 PHE A 117 113.207 6.504 9.881 1.00 0.00 H new ATOM 0 HD2 PHE A 117 115.220 4.003 7.032 1.00 0.00 H new ATOM 0 HE1 PHE A 117 112.532 4.500 11.166 1.00 0.00 H new ATOM 0 HE2 PHE A 117 114.545 1.997 8.315 1.00 0.00 H new ATOM 0 HZ PHE A 117 113.201 2.242 10.383 1.00 0.00 H new ATOM 1871 N HIS A 118 115.115 9.443 7.698 1.00 0.00 N ATOM 1872 CA HIS A 118 115.258 10.833 7.133 1.00 0.00 C ATOM 1873 C HIS A 118 114.763 10.798 5.692 1.00 0.00 C ATOM 1874 O HIS A 118 115.061 11.659 4.889 1.00 0.00 O ATOM 1875 CB HIS A 118 116.715 11.316 7.162 1.00 0.00 C ATOM 1876 CG HIS A 118 117.287 11.127 8.541 1.00 0.00 C ATOM 1877 ND1 HIS A 118 116.561 11.414 9.689 1.00 0.00 N ATOM 1878 CD2 HIS A 118 118.514 10.685 8.974 1.00 0.00 C ATOM 1879 CE1 HIS A 118 117.349 11.145 10.746 1.00 0.00 C ATOM 1880 NE2 HIS A 118 118.547 10.699 10.363 1.00 0.00 N ATOM 0 H HIS A 118 114.178 9.215 8.031 1.00 0.00 H new ATOM 0 HA HIS A 118 114.676 11.526 7.740 1.00 0.00 H new ATOM 0 HB2 HIS A 118 117.306 10.761 6.434 1.00 0.00 H new ATOM 0 HB3 HIS A 118 116.765 12.367 6.878 1.00 0.00 H new ATOM 0 HD2 HIS A 118 119.327 10.375 8.334 1.00 0.00 H new ATOM 0 HE1 HIS A 118 117.049 11.274 11.776 1.00 0.00 H new ATOM 0 HE2 HIS A 118 119.324 10.426 10.964 1.00 0.00 H new ATOM 1889 N LEU A 119 114.007 9.783 5.381 1.00 0.00 N ATOM 1890 CA LEU A 119 113.453 9.600 4.002 1.00 0.00 C ATOM 1891 C LEU A 119 112.697 8.275 3.987 1.00 0.00 C ATOM 1892 O LEU A 119 112.677 7.549 3.018 1.00 0.00 O ATOM 1893 CB LEU A 119 114.601 9.593 2.966 1.00 0.00 C ATOM 1894 CG LEU A 119 115.391 8.247 2.911 1.00 0.00 C ATOM 1895 CD1 LEU A 119 115.206 7.393 4.177 1.00 0.00 C ATOM 1896 CD2 LEU A 119 114.970 7.421 1.681 1.00 0.00 C ATOM 0 H LEU A 119 113.741 9.051 6.040 1.00 0.00 H new ATOM 0 HA LEU A 119 112.781 10.417 3.739 1.00 0.00 H new ATOM 0 HB2 LEU A 119 114.189 9.802 1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 119 115.294 10.401 3.200 1.00 0.00 H new ATOM 0 HG LEU A 119 116.445 8.516 2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 119 115.778 6.470 4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 119 115.558 7.949 5.046 1.00 0.00 H new ATOM 0 HD13 LEU A 119 114.150 7.153 4.303 1.00 0.00 H new ATOM 0 HD21 LEU A 119 115.532 6.487 1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 119 113.904 7.202 1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 119 115.176 7.989 0.774 1.00 0.00 H new ATOM 1908 N VAL A 120 112.102 7.963 5.095 1.00 0.00 N ATOM 1909 CA VAL A 120 111.356 6.687 5.259 1.00 0.00 C ATOM 1910 C VAL A 120 110.617 6.299 3.967 1.00 0.00 C ATOM 1911 O VAL A 120 110.288 7.146 3.161 1.00 0.00 O ATOM 1912 CB VAL A 120 110.366 6.896 6.404 1.00 0.00 C ATOM 1913 CG1 VAL A 120 111.151 7.296 7.659 1.00 0.00 C ATOM 1914 CG2 VAL A 120 109.377 8.022 6.043 1.00 0.00 C ATOM 0 H VAL A 120 112.100 8.558 5.924 1.00 0.00 H new ATOM 0 HA VAL A 120 112.044 5.871 5.480 1.00 0.00 H new ATOM 0 HB VAL A 120 109.808 5.976 6.582 1.00 0.00 H new ATOM 0 HG11 VAL A 120 110.459 7.449 8.487 1.00 0.00 H new ATOM 0 HG12 VAL A 120 111.855 6.504 7.916 1.00 0.00 H new ATOM 0 HG13 VAL A 120 111.698 8.219 7.467 1.00 0.00 H new ATOM 0 HG21 VAL A 120 108.674 8.166 6.864 1.00 0.00 H new ATOM 0 HG22 VAL A 120 109.927 8.947 5.870 1.00 0.00 H new ATOM 0 HG23 VAL A 120 108.830 7.750 5.140 1.00 0.00 H new ATOM 1924 N PRO A 121 110.339 5.023 3.777 1.00 0.00 N ATOM 1925 CA PRO A 121 109.608 4.539 2.576 1.00 0.00 C ATOM 1926 C PRO A 121 108.124 4.828 2.756 1.00 0.00 C ATOM 1927 O PRO A 121 107.414 4.114 3.436 1.00 0.00 O ATOM 1928 CB PRO A 121 109.895 3.038 2.553 1.00 0.00 C ATOM 1929 CG PRO A 121 110.121 2.664 3.980 1.00 0.00 C ATOM 1930 CD PRO A 121 110.678 3.908 4.682 1.00 0.00 C ATOM 0 HA PRO A 121 109.910 5.017 1.644 1.00 0.00 H new ATOM 0 HB2 PRO A 121 109.059 2.483 2.128 1.00 0.00 H new ATOM 0 HB3 PRO A 121 110.770 2.813 1.943 1.00 0.00 H new ATOM 0 HG2 PRO A 121 109.191 2.341 4.447 1.00 0.00 H new ATOM 0 HG3 PRO A 121 110.821 1.832 4.055 1.00 0.00 H new ATOM 0 HD2 PRO A 121 110.228 4.044 5.666 1.00 0.00 H new ATOM 0 HD3 PRO A 121 111.755 3.831 4.832 1.00 0.00 H new ATOM 1938 N VAL A 122 107.676 5.919 2.217 1.00 0.00 N ATOM 1939 CA VAL A 122 106.266 6.330 2.419 1.00 0.00 C ATOM 1940 C VAL A 122 105.335 5.823 1.311 1.00 0.00 C ATOM 1941 O VAL A 122 104.610 4.873 1.498 1.00 0.00 O ATOM 1942 CB VAL A 122 106.230 7.870 2.517 1.00 0.00 C ATOM 1943 CG1 VAL A 122 107.487 8.450 1.876 1.00 0.00 C ATOM 1944 CG2 VAL A 122 105.011 8.444 1.800 1.00 0.00 C ATOM 0 H VAL A 122 108.231 6.550 1.639 1.00 0.00 H new ATOM 0 HA VAL A 122 105.895 5.879 3.339 1.00 0.00 H new ATOM 0 HB VAL A 122 106.176 8.137 3.572 1.00 0.00 H new ATOM 0 HG11 VAL A 122 107.462 9.538 1.945 1.00 0.00 H new ATOM 0 HG12 VAL A 122 108.368 8.074 2.396 1.00 0.00 H new ATOM 0 HG13 VAL A 122 107.531 8.154 0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 122 105.015 9.530 1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 122 105.043 8.165 0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 122 104.102 8.047 2.253 1.00 0.00 H new ATOM 1954 N HIS A 123 105.289 6.489 0.196 1.00 0.00 N ATOM 1955 CA HIS A 123 104.324 6.085 -0.868 1.00 0.00 C ATOM 1956 C HIS A 123 104.946 5.145 -1.894 1.00 0.00 C ATOM 1957 O HIS A 123 106.129 4.877 -1.896 1.00 0.00 O ATOM 1958 CB HIS A 123 103.837 7.348 -1.581 1.00 0.00 C ATOM 1959 CG HIS A 123 102.666 7.020 -2.465 1.00 0.00 C ATOM 1960 ND1 HIS A 123 101.371 6.925 -1.974 1.00 0.00 N ATOM 1961 CD2 HIS A 123 102.575 6.774 -3.812 1.00 0.00 C ATOM 1962 CE1 HIS A 123 100.564 6.632 -3.011 1.00 0.00 C ATOM 1963 NE2 HIS A 123 101.249 6.530 -4.151 1.00 0.00 N ATOM 0 H HIS A 123 105.874 7.294 -0.028 1.00 0.00 H new ATOM 0 HA HIS A 123 103.502 5.550 -0.392 1.00 0.00 H new ATOM 0 HB2 HIS A 123 103.550 8.102 -0.848 1.00 0.00 H new ATOM 0 HB3 HIS A 123 104.645 7.774 -2.176 1.00 0.00 H new ATOM 0 HD1 HIS A 123 101.083 7.054 -1.004 1.00 0.00 H new ATOM 0 HD2 HIS A 123 103.406 6.770 -4.502 1.00 0.00 H new ATOM 0 HE1 HIS A 123 99.496 6.496 -2.930 1.00 0.00 H new ATOM 1972 N LEU A 124 104.120 4.666 -2.783 1.00 0.00 N ATOM 1973 CA LEU A 124 104.576 3.762 -3.868 1.00 0.00 C ATOM 1974 C LEU A 124 104.171 4.415 -5.188 1.00 0.00 C ATOM 1975 O LEU A 124 103.002 4.497 -5.511 1.00 0.00 O ATOM 1976 CB LEU A 124 103.889 2.402 -3.729 1.00 0.00 C ATOM 1977 CG LEU A 124 104.319 1.483 -4.895 1.00 0.00 C ATOM 1978 CD1 LEU A 124 105.069 0.258 -4.356 1.00 0.00 C ATOM 1979 CD2 LEU A 124 103.084 1.024 -5.685 1.00 0.00 C ATOM 0 H LEU A 124 103.121 4.872 -2.800 1.00 0.00 H new ATOM 0 HA LEU A 124 105.654 3.606 -3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 124 104.154 1.945 -2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 124 102.806 2.528 -3.732 1.00 0.00 H new ATOM 0 HG LEU A 124 104.981 2.044 -5.555 1.00 0.00 H new ATOM 0 HD11 LEU A 124 105.366 -0.381 -5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 124 105.956 0.584 -3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 124 104.418 -0.301 -3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 124 103.396 0.377 -6.505 1.00 0.00 H new ATOM 0 HD22 LEU A 124 102.413 0.475 -5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 124 102.565 1.894 -6.087 1.00 0.00 H new ATOM 1991 N ASP A 125 105.109 4.918 -5.941 1.00 0.00 N ATOM 1992 CA ASP A 125 104.733 5.599 -7.211 1.00 0.00 C ATOM 1993 C ASP A 125 104.220 4.579 -8.229 1.00 0.00 C ATOM 1994 O ASP A 125 103.209 4.790 -8.869 1.00 0.00 O ATOM 1995 CB ASP A 125 105.947 6.348 -7.773 1.00 0.00 C ATOM 1996 CG ASP A 125 105.528 7.759 -8.194 1.00 0.00 C ATOM 1997 OD1 ASP A 125 105.035 8.486 -7.348 1.00 0.00 O ATOM 1998 OD2 ASP A 125 105.709 8.087 -9.355 1.00 0.00 O ATOM 0 H ASP A 125 106.108 4.888 -5.736 1.00 0.00 H new ATOM 0 HA ASP A 125 103.935 6.314 -7.009 1.00 0.00 H new ATOM 0 HB2 ASP A 125 106.735 6.400 -7.022 1.00 0.00 H new ATOM 0 HB3 ASP A 125 106.357 5.809 -8.627 1.00 0.00 H new ATOM 2003 N ARG A 126 104.900 3.479 -8.395 1.00 0.00 N ATOM 2004 CA ARG A 126 104.425 2.472 -9.384 1.00 0.00 C ATOM 2005 C ARG A 126 105.280 1.214 -9.316 1.00 0.00 C ATOM 2006 O ARG A 126 106.201 1.115 -8.536 1.00 0.00 O ATOM 2007 CB ARG A 126 104.498 3.051 -10.798 1.00 0.00 C ATOM 2008 CG ARG A 126 105.863 3.706 -11.050 1.00 0.00 C ATOM 2009 CD ARG A 126 105.697 4.887 -12.010 1.00 0.00 C ATOM 2010 NE ARG A 126 107.034 5.468 -12.318 1.00 0.00 N ATOM 2011 CZ ARG A 126 107.121 6.644 -12.878 1.00 0.00 C ATOM 2012 NH1 ARG A 126 106.037 7.310 -13.169 1.00 0.00 N ATOM 2013 NH2 ARG A 126 108.292 7.153 -13.148 1.00 0.00 N ATOM 0 H ARG A 126 105.755 3.235 -7.895 1.00 0.00 H new ATOM 0 HA ARG A 126 103.393 2.218 -9.144 1.00 0.00 H new ATOM 0 HB2 ARG A 126 104.329 2.260 -11.529 1.00 0.00 H new ATOM 0 HB3 ARG A 126 103.706 3.787 -10.936 1.00 0.00 H new ATOM 0 HG2 ARG A 126 106.293 4.047 -10.108 1.00 0.00 H new ATOM 0 HG3 ARG A 126 106.555 2.977 -11.471 1.00 0.00 H new ATOM 0 HD2 ARG A 126 105.211 4.557 -12.929 1.00 0.00 H new ATOM 0 HD3 ARG A 126 105.053 5.645 -11.563 1.00 0.00 H new ATOM 0 HE ARG A 126 107.881 4.947 -12.091 1.00 0.00 H new ATOM 0 HH11 ARG A 126 105.122 6.912 -12.959 1.00 0.00 H new ATOM 0 HH12 ARG A 126 106.105 8.229 -13.607 1.00 0.00 H new ATOM 0 HH21 ARG A 126 109.139 6.632 -12.921 1.00 0.00 H new ATOM 0 HH22 ARG A 126 108.360 8.072 -13.586 1.00 0.00 H new ATOM 2027 N VAL A 127 104.969 0.246 -10.134 1.00 0.00 N ATOM 2028 CA VAL A 127 105.748 -1.023 -10.138 1.00 0.00 C ATOM 2029 C VAL A 127 106.401 -1.200 -11.513 1.00 0.00 C ATOM 2030 O VAL A 127 105.798 -0.927 -12.532 1.00 0.00 O ATOM 2031 CB VAL A 127 104.800 -2.191 -9.844 1.00 0.00 C ATOM 2032 CG1 VAL A 127 105.508 -3.213 -8.956 1.00 0.00 C ATOM 2033 CG2 VAL A 127 103.565 -1.663 -9.111 1.00 0.00 C ATOM 0 H VAL A 127 104.202 0.281 -10.805 1.00 0.00 H new ATOM 0 HA VAL A 127 106.525 -0.996 -9.374 1.00 0.00 H new ATOM 0 HB VAL A 127 104.504 -2.664 -10.781 1.00 0.00 H new ATOM 0 HG11 VAL A 127 104.833 -4.043 -8.747 1.00 0.00 H new ATOM 0 HG12 VAL A 127 106.395 -3.586 -9.467 1.00 0.00 H new ATOM 0 HG13 VAL A 127 105.801 -2.740 -8.019 1.00 0.00 H new ATOM 0 HG21 VAL A 127 102.887 -2.489 -8.899 1.00 0.00 H new ATOM 0 HG22 VAL A 127 103.870 -1.195 -8.175 1.00 0.00 H new ATOM 0 HG23 VAL A 127 103.057 -0.928 -9.736 1.00 0.00 H new ATOM 2043 N LEU A 128 107.631 -1.644 -11.551 1.00 0.00 N ATOM 2044 CA LEU A 128 108.326 -1.826 -12.862 1.00 0.00 C ATOM 2045 C LEU A 128 108.915 -3.238 -12.932 1.00 0.00 C ATOM 2046 O LEU A 128 108.361 -4.053 -13.651 1.00 0.00 O ATOM 2047 CB LEU A 128 109.454 -0.784 -12.986 1.00 0.00 C ATOM 2048 CG LEU A 128 109.430 -0.126 -14.370 1.00 0.00 C ATOM 2049 CD1 LEU A 128 109.560 -1.202 -15.452 1.00 0.00 C ATOM 2050 CD2 LEU A 128 108.120 0.653 -14.555 1.00 0.00 C ATOM 2051 OXT LEU A 128 109.910 -3.478 -12.268 1.00 0.00 O ATOM 0 H LEU A 128 108.185 -1.889 -10.730 1.00 0.00 H new ATOM 0 HA LEU A 128 107.617 -1.691 -13.679 1.00 0.00 H new ATOM 0 HB2 LEU A 128 109.340 -0.023 -12.214 1.00 0.00 H new ATOM 0 HB3 LEU A 128 110.419 -1.263 -12.822 1.00 0.00 H new ATOM 0 HG LEU A 128 110.266 0.568 -14.454 1.00 0.00 H new ATOM 0 HD11 LEU A 128 109.543 -0.733 -16.436 1.00 0.00 H new ATOM 0 HD12 LEU A 128 110.501 -1.737 -15.322 1.00 0.00 H new ATOM 0 HD13 LEU A 128 108.729 -1.903 -15.370 1.00 0.00 H new ATOM 0 HD21 LEU A 128 108.109 1.118 -15.541 1.00 0.00 H new ATOM 0 HD22 LEU A 128 107.275 -0.030 -14.467 1.00 0.00 H new ATOM 0 HD23 LEU A 128 108.044 1.425 -13.789 1.00 0.00 H new