USER MOD reduce.3.24.130724 H: found=0, std=0, add=991, rem=0, adj=39 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 -173:sc= -0.517 (180deg=-0.566) USER MOD Set 1.2: A 41 ASN : amide:sc= -8.07! C(o=-12!,f=-15!) USER MOD Set 1.3: A 93 TYR OH : rot 0:sc= -3.73! USER MOD Set 2.1: A 84 THR OG1 : rot -47:sc= -0.632! USER MOD Set 2.2: A 85 SER OG : rot -101:sc= -0.412! USER MOD Set 3.1: A 80 MET CE :methyl -116:sc= -0.26 (180deg=-0.122) USER MOD Set 3.2: A 98 GLN : amide:sc= -2.21 K(o=-2.5,f=-12!) USER MOD Set 4.1: A 17 GLN : amide:sc= -13.4! C(o=-21!,f=-19!) USER MOD Set 4.2: A 45 HIS : no HE2:sc= -2.08! C(o=-21!,f=-31!) USER MOD Set 4.3: A 79 THR OG1 : rot -150:sc= -5.62! USER MOD Set 5.1: A 54 THR OG1 : rot 137:sc= 0.0668 USER MOD Set 5.2: A 72 SER OG : rot -40:sc= 0.289 USER MOD Set 6.1: A 15 HIS : no HD1:sc= -11! C(o=-12!,f=-9.6!) USER MOD Set 6.2: A 42 THR OG1 : rot 180:sc= -1.05 USER MOD Set 7.1: A 9 GLN : amide:sc= 0.179 K(o=-3.6,f=-6.5) USER MOD Set 7.2: A 12 LYS NZ :NH3+ -131:sc= -3.81! (180deg=-5.12!) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -110:sc= -2.66! USER MOD Single : A 7 SER OG : rot 120:sc= -0.675 USER MOD Single : A 8 SER OG : rot 15:sc= -9.08! USER MOD Single : A 14 GLN : amide:sc= -11.8! C(o=-12!,f=-7.9!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 57:sc= 0.76 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 24 ASN : amide:sc= -11.5! C(o=-11!,f=-4.9!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -103:sc= 0.404 (180deg=-2.2!) USER MOD Single : A 29 ASN : amide:sc= -2.48 K(o=-2.5,f=-3.5!) USER MOD Single : A 31 ASN : amide:sc= -4.93! C(o=-4.9!,f=-7.3!) USER MOD Single : A 32 LYS NZ :NH3+ 161:sc=-0.00362 (180deg=-0.139) USER MOD Single : A 33 HIS : no HD1:sc= -3.84! C(o=-3.8!,f=-4.1!) USER MOD Single : A 34 THR OG1 : rot -92:sc= 0.117 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0.524 (180deg=0.524) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.738 USER MOD Single : A 59 LYS NZ :NH3+ -176:sc= -2.16! (180deg=-2.22!) USER MOD Single : A 63 LYS NZ :NH3+ -109:sc= -1.81 (180deg=-2.16) USER MOD Single : A 64 ASN : amide:sc= -2.69! C(o=-2.7!,f=-3.1!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -1.15 K(o=-1.1,f=-2.7!) USER MOD Single : A 70 HIS : no HE2:sc= -17! C(o=-15!,f=-22!) USER MOD Single : A 71 GLN : amide:sc= -0.421 X(o=-0.42,f=-0.023) USER MOD Single : A 73 HIS : no HE2:sc= -1.31 K(o=-1.3,f=-2.6!) USER MOD Single : A 77 SER OG : rot -69:sc= 0.3 USER MOD Single : A 82 LYS NZ :NH3+ -106:sc= -3.18! (180deg=-5.89!) USER MOD Single : A 87 LYS NZ :NH3+ -148:sc= -0.254 (180deg=-1.33!) USER MOD Single : A 88 TYR OH : rot 13:sc= -0.615 USER MOD Single : A 90 ASN : amide:sc= -3.51! K(o=-3.5!,f=-1.2) USER MOD Single : A 94 LYS NZ :NH3+ 158:sc= -0.15 (180deg=-0.579) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.756 K(o=-0.76,f=-3!) USER MOD Single : A 100 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.017) USER MOD Single : A 101 SER OG : rot 180:sc= -1.28 USER MOD Single : A 102 TYR OH : rot -51:sc= -1.1 USER MOD Single : A 107 LYS NZ :NH3+ 145:sc= -0.378 (180deg=-1.48!) USER MOD Single : A 110 GLN : amide:sc= -0.0282 X(o=-0.028,f=0) USER MOD Single : A 111 LYS NZ :NH3+ -135:sc= -0.288 (180deg=-1.41!) USER MOD Single : A 112 LYS NZ :NH3+ 163:sc= -0.0937 (180deg=-0.798) USER MOD Single : A 114 SER OG : rot 170:sc= -0.64 USER MOD Single : A 115 GLN : amide:sc= -2.1! K(o=-2.1!,f=1.4) USER MOD Single : A 116 GLN : amide:sc=-0.00947 K(o=-0.0095,f=-0.87) USER MOD Single : A 118 HIS : no HD1:sc= -0.172 K(o=-0.17,f=-0.74) USER MOD Single : A 123 HIS : no HE2:sc= -6.16! C(o=-6.2!,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 85 N MET A 5 102.417 5.186 13.859 1.00 0.00 N ATOM 86 CA MET A 5 102.085 4.949 12.426 1.00 0.00 C ATOM 87 C MET A 5 102.826 5.960 11.552 1.00 0.00 C ATOM 88 O MET A 5 102.235 6.623 10.723 1.00 0.00 O ATOM 89 CB MET A 5 100.578 5.113 12.218 1.00 0.00 C ATOM 90 CG MET A 5 99.829 4.289 13.263 1.00 0.00 C ATOM 91 SD MET A 5 98.088 4.150 12.788 1.00 0.00 S ATOM 92 CE MET A 5 97.732 2.613 13.676 1.00 0.00 C ATOM 0 HA MET A 5 102.387 3.939 12.150 1.00 0.00 H new ATOM 0 HB2 MET A 5 100.301 6.164 12.300 1.00 0.00 H new ATOM 0 HB3 MET A 5 100.301 4.788 11.215 1.00 0.00 H new ATOM 0 HG2 MET A 5 100.274 3.298 13.347 1.00 0.00 H new ATOM 0 HG3 MET A 5 99.913 4.761 14.242 1.00 0.00 H new ATOM 0 HE1 MET A 5 96.690 2.335 13.519 1.00 0.00 H new ATOM 0 HE2 MET A 5 98.379 1.819 13.303 1.00 0.00 H new ATOM 0 HE3 MET A 5 97.912 2.758 14.741 1.00 0.00 H new ATOM 102 N THR A 6 104.118 6.075 11.717 1.00 0.00 N ATOM 103 CA THR A 6 104.893 7.033 10.876 1.00 0.00 C ATOM 104 C THR A 6 104.423 6.893 9.423 1.00 0.00 C ATOM 105 O THR A 6 103.822 5.907 9.055 1.00 0.00 O ATOM 106 CB THR A 6 106.390 6.706 10.987 1.00 0.00 C ATOM 107 OG1 THR A 6 106.923 7.346 12.137 1.00 0.00 O ATOM 108 CG2 THR A 6 107.138 7.198 9.747 1.00 0.00 C ATOM 0 H THR A 6 104.668 5.548 12.396 1.00 0.00 H new ATOM 0 HA THR A 6 104.732 8.057 11.213 1.00 0.00 H new ATOM 0 HB THR A 6 106.511 5.626 11.067 1.00 0.00 H new ATOM 0 HG1 THR A 6 107.520 8.072 11.860 1.00 0.00 H new ATOM 0 HG21 THR A 6 108.197 6.958 9.842 1.00 0.00 H new ATOM 0 HG22 THR A 6 106.734 6.710 8.860 1.00 0.00 H new ATOM 0 HG23 THR A 6 107.017 8.277 9.654 1.00 0.00 H new ATOM 116 N SER A 7 104.683 7.865 8.595 1.00 0.00 N ATOM 117 CA SER A 7 104.236 7.764 7.174 1.00 0.00 C ATOM 118 C SER A 7 104.601 6.381 6.627 1.00 0.00 C ATOM 119 O SER A 7 103.751 5.628 6.195 1.00 0.00 O ATOM 120 CB SER A 7 104.933 8.842 6.343 1.00 0.00 C ATOM 121 OG SER A 7 104.293 8.945 5.077 1.00 0.00 O ATOM 0 H SER A 7 105.182 8.721 8.836 1.00 0.00 H new ATOM 0 HA SER A 7 103.157 7.906 7.118 1.00 0.00 H new ATOM 0 HB2 SER A 7 104.894 9.800 6.862 1.00 0.00 H new ATOM 0 HB3 SER A 7 105.986 8.593 6.212 1.00 0.00 H new ATOM 0 HG SER A 7 103.941 9.852 4.961 1.00 0.00 H new ATOM 127 N SER A 8 105.859 6.045 6.651 1.00 0.00 N ATOM 128 CA SER A 8 106.294 4.712 6.141 1.00 0.00 C ATOM 129 C SER A 8 105.672 3.602 6.978 1.00 0.00 C ATOM 130 O SER A 8 105.451 2.511 6.501 1.00 0.00 O ATOM 131 CB SER A 8 107.810 4.611 6.230 1.00 0.00 C ATOM 132 OG SER A 8 108.392 5.477 5.265 1.00 0.00 O ATOM 0 H SER A 8 106.610 6.638 7.003 1.00 0.00 H new ATOM 0 HA SER A 8 105.971 4.605 5.105 1.00 0.00 H new ATOM 0 HB2 SER A 8 108.147 4.883 7.230 1.00 0.00 H new ATOM 0 HB3 SER A 8 108.129 3.584 6.054 1.00 0.00 H new ATOM 0 HG SER A 8 107.714 6.104 4.937 1.00 0.00 H new ATOM 138 N GLN A 9 105.393 3.859 8.220 1.00 0.00 N ATOM 139 CA GLN A 9 104.787 2.798 9.067 1.00 0.00 C ATOM 140 C GLN A 9 103.363 2.524 8.587 1.00 0.00 C ATOM 141 O GLN A 9 102.948 1.394 8.451 1.00 0.00 O ATOM 142 CB GLN A 9 104.768 3.255 10.521 1.00 0.00 C ATOM 143 CG GLN A 9 106.120 2.949 11.162 1.00 0.00 C ATOM 144 CD GLN A 9 106.174 1.476 11.574 1.00 0.00 C ATOM 145 OE1 GLN A 9 105.309 1.000 12.282 1.00 0.00 O ATOM 146 NE2 GLN A 9 107.160 0.731 11.157 1.00 0.00 N ATOM 0 H GLN A 9 105.556 4.752 8.685 1.00 0.00 H new ATOM 0 HA GLN A 9 105.376 1.884 8.990 1.00 0.00 H new ATOM 0 HB2 GLN A 9 104.560 4.323 10.576 1.00 0.00 H new ATOM 0 HB3 GLN A 9 103.971 2.747 11.064 1.00 0.00 H new ATOM 0 HG2 GLN A 9 106.924 3.170 10.460 1.00 0.00 H new ATOM 0 HG3 GLN A 9 106.273 3.586 12.033 1.00 0.00 H new ATOM 0 HE21 GLN A 9 107.886 1.131 10.563 1.00 0.00 H new ATOM 0 HE22 GLN A 9 107.205 -0.252 11.425 1.00 0.00 H new ATOM 155 N TRP A 10 102.613 3.549 8.315 1.00 0.00 N ATOM 156 CA TRP A 10 101.227 3.336 7.830 1.00 0.00 C ATOM 157 C TRP A 10 101.299 2.702 6.440 1.00 0.00 C ATOM 158 O TRP A 10 100.486 1.880 6.063 1.00 0.00 O ATOM 159 CB TRP A 10 100.501 4.693 7.778 1.00 0.00 C ATOM 160 CG TRP A 10 99.512 4.731 6.651 1.00 0.00 C ATOM 161 CD1 TRP A 10 99.377 5.759 5.781 1.00 0.00 C ATOM 162 CD2 TRP A 10 98.523 3.732 6.258 1.00 0.00 C ATOM 163 NE1 TRP A 10 98.373 5.455 4.881 1.00 0.00 N ATOM 164 CE2 TRP A 10 97.818 4.218 5.132 1.00 0.00 C ATOM 165 CE3 TRP A 10 98.173 2.465 6.760 1.00 0.00 C ATOM 166 CZ2 TRP A 10 96.804 3.474 4.528 1.00 0.00 C ATOM 167 CZ3 TRP A 10 97.156 1.714 6.153 1.00 0.00 C ATOM 168 CH2 TRP A 10 96.474 2.218 5.041 1.00 0.00 C ATOM 0 H TRP A 10 102.899 4.524 8.407 1.00 0.00 H new ATOM 0 HA TRP A 10 100.675 2.675 8.497 1.00 0.00 H new ATOM 0 HB2 TRP A 10 99.988 4.871 8.723 1.00 0.00 H new ATOM 0 HB3 TRP A 10 101.229 5.495 7.655 1.00 0.00 H new ATOM 0 HD1 TRP A 10 99.959 6.669 5.789 1.00 0.00 H new ATOM 0 HE1 TRP A 10 98.078 6.071 4.123 1.00 0.00 H new ATOM 0 HE3 TRP A 10 98.692 2.068 7.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 96.278 3.867 3.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 96.898 0.742 6.546 1.00 0.00 H new ATOM 0 HH2 TRP A 10 95.691 1.635 4.579 1.00 0.00 H new ATOM 179 N PHE A 11 102.279 3.076 5.679 1.00 0.00 N ATOM 180 CA PHE A 11 102.411 2.512 4.308 1.00 0.00 C ATOM 181 C PHE A 11 103.052 1.128 4.346 1.00 0.00 C ATOM 182 O PHE A 11 102.995 0.400 3.383 1.00 0.00 O ATOM 183 CB PHE A 11 103.238 3.454 3.429 1.00 0.00 C ATOM 184 CG PHE A 11 102.370 3.923 2.290 1.00 0.00 C ATOM 185 CD1 PHE A 11 101.540 5.032 2.465 1.00 0.00 C ATOM 186 CD2 PHE A 11 102.377 3.235 1.072 1.00 0.00 C ATOM 187 CE1 PHE A 11 100.715 5.458 1.425 1.00 0.00 C ATOM 188 CE2 PHE A 11 101.554 3.662 0.028 1.00 0.00 C ATOM 189 CZ PHE A 11 100.720 4.774 0.203 1.00 0.00 C ATOM 0 H PHE A 11 102.998 3.749 5.944 1.00 0.00 H new ATOM 0 HA PHE A 11 101.413 2.412 3.882 1.00 0.00 H new ATOM 0 HB2 PHE A 11 103.592 4.304 4.012 1.00 0.00 H new ATOM 0 HB3 PHE A 11 104.120 2.940 3.047 1.00 0.00 H new ATOM 0 HD1 PHE A 11 101.537 5.560 3.407 1.00 0.00 H new ATOM 0 HD2 PHE A 11 103.017 2.376 0.939 1.00 0.00 H new ATOM 0 HE1 PHE A 11 100.072 6.315 1.562 1.00 0.00 H new ATOM 0 HE2 PHE A 11 101.560 3.135 -0.915 1.00 0.00 H new ATOM 0 HZ PHE A 11 100.082 5.103 -0.604 1.00 0.00 H new ATOM 199 N LYS A 12 103.643 0.736 5.434 1.00 0.00 N ATOM 200 CA LYS A 12 104.237 -0.626 5.471 1.00 0.00 C ATOM 201 C LYS A 12 103.125 -1.591 5.870 1.00 0.00 C ATOM 202 O LYS A 12 103.093 -2.723 5.475 1.00 0.00 O ATOM 203 CB LYS A 12 105.414 -0.680 6.462 1.00 0.00 C ATOM 204 CG LYS A 12 104.911 -0.758 7.913 1.00 0.00 C ATOM 205 CD LYS A 12 104.821 -2.215 8.378 1.00 0.00 C ATOM 206 CE LYS A 12 104.849 -2.269 9.910 1.00 0.00 C ATOM 207 NZ LYS A 12 104.231 -1.032 10.466 1.00 0.00 N ATOM 0 H LYS A 12 103.741 1.287 6.287 1.00 0.00 H new ATOM 0 HA LYS A 12 104.640 -0.901 4.496 1.00 0.00 H new ATOM 0 HB2 LYS A 12 106.039 -1.546 6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 12 106.040 0.204 6.337 1.00 0.00 H new ATOM 0 HG2 LYS A 12 105.584 -0.203 8.567 1.00 0.00 H new ATOM 0 HG3 LYS A 12 103.932 -0.286 7.989 1.00 0.00 H new ATOM 0 HD2 LYS A 12 103.904 -2.670 8.005 1.00 0.00 H new ATOM 0 HD3 LYS A 12 105.652 -2.790 7.969 1.00 0.00 H new ATOM 0 HE2 LYS A 12 104.309 -3.148 10.263 1.00 0.00 H new ATOM 0 HE3 LYS A 12 105.876 -2.364 10.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 104.856 -0.627 11.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 104.093 -0.339 9.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 103.311 -1.265 10.892 1.00 0.00 H new ATOM 221 N ILE A 13 102.173 -1.129 6.602 1.00 0.00 N ATOM 222 CA ILE A 13 101.036 -2.017 6.968 1.00 0.00 C ATOM 223 C ILE A 13 100.074 -2.013 5.787 1.00 0.00 C ATOM 224 O ILE A 13 99.223 -2.869 5.644 1.00 0.00 O ATOM 225 CB ILE A 13 100.337 -1.507 8.238 1.00 0.00 C ATOM 226 CG1 ILE A 13 100.203 0.022 8.185 1.00 0.00 C ATOM 227 CG2 ILE A 13 101.155 -1.921 9.467 1.00 0.00 C ATOM 228 CD1 ILE A 13 100.063 0.603 9.601 1.00 0.00 C ATOM 0 H ILE A 13 102.123 -0.178 6.968 1.00 0.00 H new ATOM 0 HA ILE A 13 101.386 -3.027 7.179 1.00 0.00 H new ATOM 0 HB ILE A 13 99.340 -1.943 8.304 1.00 0.00 H new ATOM 0 HG12 ILE A 13 101.076 0.452 7.695 1.00 0.00 H new ATOM 0 HG13 ILE A 13 99.334 0.296 7.586 1.00 0.00 H new ATOM 0 HG21 ILE A 13 100.662 -1.561 10.370 1.00 0.00 H new ATOM 0 HG22 ILE A 13 101.231 -3.008 9.504 1.00 0.00 H new ATOM 0 HG23 ILE A 13 102.154 -1.489 9.402 1.00 0.00 H new ATOM 0 HD11 ILE A 13 99.969 1.687 9.542 1.00 0.00 H new ATOM 0 HD12 ILE A 13 99.176 0.188 10.079 1.00 0.00 H new ATOM 0 HD13 ILE A 13 100.945 0.347 10.188 1.00 0.00 H new ATOM 240 N GLN A 14 100.223 -1.034 4.938 1.00 0.00 N ATOM 241 CA GLN A 14 99.350 -0.913 3.738 1.00 0.00 C ATOM 242 C GLN A 14 100.107 -1.401 2.484 1.00 0.00 C ATOM 243 O GLN A 14 99.527 -1.557 1.428 1.00 0.00 O ATOM 244 CB GLN A 14 98.958 0.575 3.574 1.00 0.00 C ATOM 245 CG GLN A 14 99.484 1.128 2.254 1.00 0.00 C ATOM 246 CD GLN A 14 99.142 2.616 2.146 1.00 0.00 C ATOM 247 OE1 GLN A 14 98.663 3.067 1.125 1.00 0.00 O ATOM 248 NE2 GLN A 14 99.369 3.401 3.162 1.00 0.00 N ATOM 0 H GLN A 14 100.926 -0.300 5.028 1.00 0.00 H new ATOM 0 HA GLN A 14 98.456 -1.525 3.860 1.00 0.00 H new ATOM 0 HB2 GLN A 14 97.873 0.677 3.610 1.00 0.00 H new ATOM 0 HB3 GLN A 14 99.361 1.156 4.404 1.00 0.00 H new ATOM 0 HG2 GLN A 14 100.563 0.988 2.194 1.00 0.00 H new ATOM 0 HG3 GLN A 14 99.045 0.582 1.419 1.00 0.00 H new ATOM 0 HE21 GLN A 14 99.771 3.022 4.019 1.00 0.00 H new ATOM 0 HE22 GLN A 14 99.144 4.394 3.099 1.00 0.00 H new ATOM 257 N HIS A 15 101.403 -1.589 2.569 1.00 0.00 N ATOM 258 CA HIS A 15 102.177 -1.993 1.353 1.00 0.00 C ATOM 259 C HIS A 15 103.419 -2.826 1.716 1.00 0.00 C ATOM 260 O HIS A 15 104.351 -2.913 0.942 1.00 0.00 O ATOM 261 CB HIS A 15 102.640 -0.708 0.648 1.00 0.00 C ATOM 262 CG HIS A 15 101.982 -0.587 -0.698 1.00 0.00 C ATOM 263 ND1 HIS A 15 102.676 -0.778 -1.883 1.00 0.00 N ATOM 264 CD2 HIS A 15 100.693 -0.290 -1.061 1.00 0.00 C ATOM 265 CE1 HIS A 15 101.809 -0.595 -2.895 1.00 0.00 C ATOM 266 NE2 HIS A 15 100.589 -0.295 -2.447 1.00 0.00 N ATOM 0 H HIS A 15 101.954 -1.481 3.421 1.00 0.00 H new ATOM 0 HA HIS A 15 101.538 -2.604 0.715 1.00 0.00 H new ATOM 0 HB2 HIS A 15 102.394 0.160 1.260 1.00 0.00 H new ATOM 0 HB3 HIS A 15 103.724 -0.719 0.531 1.00 0.00 H new ATOM 0 HD2 HIS A 15 99.884 -0.084 -0.376 1.00 0.00 H new ATOM 0 HE1 HIS A 15 102.068 -0.680 -3.940 1.00 0.00 H new ATOM 0 HE2 HIS A 15 99.755 -0.109 -3.004 1.00 0.00 H new ATOM 275 N MET A 16 103.452 -3.440 2.864 1.00 0.00 N ATOM 276 CA MET A 16 104.655 -4.257 3.229 1.00 0.00 C ATOM 277 C MET A 16 104.402 -5.726 2.895 1.00 0.00 C ATOM 278 O MET A 16 103.381 -6.286 3.240 1.00 0.00 O ATOM 279 CB MET A 16 104.974 -4.115 4.732 1.00 0.00 C ATOM 280 CG MET A 16 104.073 -5.032 5.577 1.00 0.00 C ATOM 281 SD MET A 16 104.632 -5.019 7.297 1.00 0.00 S ATOM 282 CE MET A 16 105.807 -6.389 7.165 1.00 0.00 C ATOM 0 H MET A 16 102.710 -3.416 3.563 1.00 0.00 H new ATOM 0 HA MET A 16 105.508 -3.893 2.656 1.00 0.00 H new ATOM 0 HB2 MET A 16 106.020 -4.363 4.910 1.00 0.00 H new ATOM 0 HB3 MET A 16 104.835 -3.079 5.040 1.00 0.00 H new ATOM 0 HG2 MET A 16 103.038 -4.695 5.518 1.00 0.00 H new ATOM 0 HG3 MET A 16 104.100 -6.048 5.183 1.00 0.00 H new ATOM 0 HE1 MET A 16 106.279 -6.558 8.133 1.00 0.00 H new ATOM 0 HE2 MET A 16 105.280 -7.292 6.855 1.00 0.00 H new ATOM 0 HE3 MET A 16 106.571 -6.143 6.427 1.00 0.00 H new ATOM 292 N GLN A 17 105.333 -6.357 2.235 1.00 0.00 N ATOM 293 CA GLN A 17 105.161 -7.793 1.895 1.00 0.00 C ATOM 294 C GLN A 17 106.105 -8.686 2.736 1.00 0.00 C ATOM 295 O GLN A 17 105.938 -9.889 2.759 1.00 0.00 O ATOM 296 CB GLN A 17 105.441 -8.007 0.407 1.00 0.00 C ATOM 297 CG GLN A 17 104.882 -9.367 -0.018 1.00 0.00 C ATOM 298 CD GLN A 17 105.730 -9.942 -1.155 1.00 0.00 C ATOM 299 OE1 GLN A 17 106.158 -11.077 -1.093 1.00 0.00 O ATOM 300 NE2 GLN A 17 105.992 -9.202 -2.197 1.00 0.00 N ATOM 0 H GLN A 17 106.207 -5.937 1.917 1.00 0.00 H new ATOM 0 HA GLN A 17 104.133 -8.075 2.122 1.00 0.00 H new ATOM 0 HB2 GLN A 17 104.982 -7.212 -0.180 1.00 0.00 H new ATOM 0 HB3 GLN A 17 106.513 -7.965 0.216 1.00 0.00 H new ATOM 0 HG2 GLN A 17 104.882 -10.052 0.830 1.00 0.00 H new ATOM 0 HG3 GLN A 17 103.847 -9.260 -0.342 1.00 0.00 H new ATOM 0 HE21 GLN A 17 105.633 -8.249 -2.249 1.00 0.00 H new ATOM 0 HE22 GLN A 17 106.556 -9.577 -2.960 1.00 0.00 H new ATOM 309 N PRO A 18 107.086 -8.138 3.435 1.00 0.00 N ATOM 310 CA PRO A 18 108.008 -8.969 4.260 1.00 0.00 C ATOM 311 C PRO A 18 107.248 -10.026 5.068 1.00 0.00 C ATOM 312 O PRO A 18 107.785 -11.059 5.415 1.00 0.00 O ATOM 313 CB PRO A 18 108.679 -7.955 5.191 1.00 0.00 C ATOM 314 CG PRO A 18 108.661 -6.664 4.441 1.00 0.00 C ATOM 315 CD PRO A 18 107.429 -6.706 3.529 1.00 0.00 C ATOM 0 HA PRO A 18 108.719 -9.526 3.649 1.00 0.00 H new ATOM 0 HB2 PRO A 18 108.140 -7.870 6.135 1.00 0.00 H new ATOM 0 HB3 PRO A 18 109.698 -8.256 5.432 1.00 0.00 H new ATOM 0 HG2 PRO A 18 108.607 -5.818 5.126 1.00 0.00 H new ATOM 0 HG3 PRO A 18 109.573 -6.543 3.856 1.00 0.00 H new ATOM 0 HD2 PRO A 18 106.606 -6.128 3.948 1.00 0.00 H new ATOM 0 HD3 PRO A 18 107.647 -6.285 2.548 1.00 0.00 H new ATOM 323 N SER A 19 105.997 -9.771 5.361 1.00 0.00 N ATOM 324 CA SER A 19 105.180 -10.749 6.142 1.00 0.00 C ATOM 325 C SER A 19 103.995 -10.018 6.784 1.00 0.00 C ATOM 326 O SER A 19 103.919 -9.882 7.990 1.00 0.00 O ATOM 327 CB SER A 19 106.040 -11.393 7.237 1.00 0.00 C ATOM 328 OG SER A 19 106.638 -12.578 6.728 1.00 0.00 O ATOM 0 H SER A 19 105.503 -8.920 5.090 1.00 0.00 H new ATOM 0 HA SER A 19 104.814 -11.528 5.474 1.00 0.00 H new ATOM 0 HB2 SER A 19 106.810 -10.696 7.567 1.00 0.00 H new ATOM 0 HB3 SER A 19 105.427 -11.626 8.107 1.00 0.00 H new ATOM 0 HG SER A 19 107.167 -12.361 5.932 1.00 0.00 H new ATOM 334 N PRO A 20 103.077 -9.549 5.981 1.00 0.00 N ATOM 335 CA PRO A 20 101.875 -8.819 6.469 1.00 0.00 C ATOM 336 C PRO A 20 100.772 -9.775 6.938 1.00 0.00 C ATOM 337 O PRO A 20 99.891 -9.394 7.677 1.00 0.00 O ATOM 338 CB PRO A 20 101.423 -8.036 5.240 1.00 0.00 C ATOM 339 CG PRO A 20 101.845 -8.869 4.070 1.00 0.00 C ATOM 340 CD PRO A 20 103.084 -9.662 4.514 1.00 0.00 C ATOM 0 HA PRO A 20 102.092 -8.191 7.333 1.00 0.00 H new ATOM 0 HB2 PRO A 20 100.344 -7.882 5.246 1.00 0.00 H new ATOM 0 HB3 PRO A 20 101.886 -7.050 5.209 1.00 0.00 H new ATOM 0 HG2 PRO A 20 101.044 -9.542 3.766 1.00 0.00 H new ATOM 0 HG3 PRO A 20 102.076 -8.240 3.211 1.00 0.00 H new ATOM 0 HD2 PRO A 20 103.027 -10.702 4.194 1.00 0.00 H new ATOM 0 HD3 PRO A 20 103.997 -9.247 4.087 1.00 0.00 H new ATOM 348 N GLN A 21 100.835 -11.010 6.501 1.00 0.00 N ATOM 349 CA GLN A 21 99.820 -12.047 6.889 1.00 0.00 C ATOM 350 C GLN A 21 98.759 -12.174 5.793 1.00 0.00 C ATOM 351 O GLN A 21 97.575 -12.105 6.052 1.00 0.00 O ATOM 352 CB GLN A 21 99.138 -11.698 8.221 1.00 0.00 C ATOM 353 CG GLN A 21 100.199 -11.407 9.300 1.00 0.00 C ATOM 354 CD GLN A 21 100.134 -12.476 10.395 1.00 0.00 C ATOM 355 OE1 GLN A 21 100.124 -13.657 10.107 1.00 0.00 O ATOM 356 NE2 GLN A 21 100.089 -12.109 11.646 1.00 0.00 N ATOM 0 H GLN A 21 101.565 -11.353 5.876 1.00 0.00 H new ATOM 0 HA GLN A 21 100.344 -12.995 7.011 1.00 0.00 H new ATOM 0 HB2 GLN A 21 98.493 -10.829 8.091 1.00 0.00 H new ATOM 0 HB3 GLN A 21 98.501 -12.523 8.540 1.00 0.00 H new ATOM 0 HG2 GLN A 21 101.192 -11.393 8.852 1.00 0.00 H new ATOM 0 HG3 GLN A 21 100.030 -10.421 9.732 1.00 0.00 H new ATOM 0 HE21 GLN A 21 100.097 -11.118 11.887 1.00 0.00 H new ATOM 0 HE22 GLN A 21 100.045 -12.813 12.383 1.00 0.00 H new ATOM 365 N ALA A 22 99.180 -12.368 4.571 1.00 0.00 N ATOM 366 CA ALA A 22 98.208 -12.513 3.449 1.00 0.00 C ATOM 367 C ALA A 22 97.651 -11.152 3.066 1.00 0.00 C ATOM 368 O ALA A 22 97.213 -10.391 3.906 1.00 0.00 O ATOM 369 CB ALA A 22 97.040 -13.412 3.869 1.00 0.00 C ATOM 0 H ALA A 22 100.161 -12.433 4.301 1.00 0.00 H new ATOM 0 HA ALA A 22 98.730 -12.958 2.602 1.00 0.00 H new ATOM 0 HB1 ALA A 22 96.339 -13.509 3.040 1.00 0.00 H new ATOM 0 HB2 ALA A 22 97.419 -14.397 4.141 1.00 0.00 H new ATOM 0 HB3 ALA A 22 96.531 -12.970 4.725 1.00 0.00 H new ATOM 375 N CYS A 23 97.632 -10.846 1.804 1.00 0.00 N ATOM 376 CA CYS A 23 97.065 -9.546 1.387 1.00 0.00 C ATOM 377 C CYS A 23 95.665 -9.443 1.948 1.00 0.00 C ATOM 378 O CYS A 23 95.173 -8.381 2.229 1.00 0.00 O ATOM 379 CB CYS A 23 96.986 -9.476 -0.120 1.00 0.00 C ATOM 380 SG CYS A 23 98.641 -9.688 -0.815 1.00 0.00 S ATOM 0 H CYS A 23 97.982 -11.437 1.050 1.00 0.00 H new ATOM 0 HA CYS A 23 97.695 -8.735 1.752 1.00 0.00 H new ATOM 0 HB2 CYS A 23 96.319 -10.251 -0.497 1.00 0.00 H new ATOM 0 HB3 CYS A 23 96.569 -8.518 -0.430 1.00 0.00 H new ATOM 385 N ASN A 24 95.009 -10.547 2.112 1.00 0.00 N ATOM 386 CA ASN A 24 93.637 -10.482 2.672 1.00 0.00 C ATOM 387 C ASN A 24 93.699 -9.726 4.006 1.00 0.00 C ATOM 388 O ASN A 24 92.929 -8.825 4.260 1.00 0.00 O ATOM 389 CB ASN A 24 93.084 -11.894 2.896 1.00 0.00 C ATOM 390 CG ASN A 24 93.585 -12.835 1.798 1.00 0.00 C ATOM 391 OD1 ASN A 24 92.800 -13.389 1.055 1.00 0.00 O ATOM 392 ND2 ASN A 24 94.866 -13.048 1.669 1.00 0.00 N ATOM 0 H ASN A 24 95.354 -11.480 1.887 1.00 0.00 H new ATOM 0 HA ASN A 24 92.977 -9.966 1.975 1.00 0.00 H new ATOM 0 HB2 ASN A 24 93.395 -12.264 3.873 1.00 0.00 H new ATOM 0 HB3 ASN A 24 91.994 -11.870 2.896 1.00 0.00 H new ATOM 0 HD21 ASN A 24 95.208 -13.679 0.944 1.00 0.00 H new ATOM 0 HD22 ASN A 24 95.526 -12.583 2.293 1.00 0.00 H new ATOM 399 N SER A 25 94.627 -10.079 4.855 1.00 0.00 N ATOM 400 CA SER A 25 94.745 -9.378 6.171 1.00 0.00 C ATOM 401 C SER A 25 95.498 -8.054 5.990 1.00 0.00 C ATOM 402 O SER A 25 95.204 -7.057 6.627 1.00 0.00 O ATOM 403 CB SER A 25 95.512 -10.267 7.151 1.00 0.00 C ATOM 404 OG SER A 25 95.238 -9.845 8.480 1.00 0.00 O ATOM 0 H SER A 25 95.309 -10.821 4.696 1.00 0.00 H new ATOM 0 HA SER A 25 93.748 -9.174 6.561 1.00 0.00 H new ATOM 0 HB2 SER A 25 95.220 -11.309 7.020 1.00 0.00 H new ATOM 0 HB3 SER A 25 96.582 -10.209 6.952 1.00 0.00 H new ATOM 0 HG SER A 25 95.727 -10.414 9.111 1.00 0.00 H new ATOM 410 N ALA A 26 96.466 -8.041 5.122 1.00 0.00 N ATOM 411 CA ALA A 26 97.251 -6.799 4.883 1.00 0.00 C ATOM 412 C ALA A 26 96.327 -5.714 4.352 1.00 0.00 C ATOM 413 O ALA A 26 96.446 -4.550 4.680 1.00 0.00 O ATOM 414 CB ALA A 26 98.317 -7.098 3.839 1.00 0.00 C ATOM 0 H ALA A 26 96.751 -8.844 4.562 1.00 0.00 H new ATOM 0 HA ALA A 26 97.712 -6.462 5.811 1.00 0.00 H new ATOM 0 HB1 ALA A 26 98.903 -6.199 3.650 1.00 0.00 H new ATOM 0 HB2 ALA A 26 98.972 -7.889 4.204 1.00 0.00 H new ATOM 0 HB3 ALA A 26 97.840 -7.421 2.914 1.00 0.00 H new ATOM 420 N MET A 27 95.415 -6.103 3.524 1.00 0.00 N ATOM 421 CA MET A 27 94.466 -5.136 2.934 1.00 0.00 C ATOM 422 C MET A 27 93.407 -4.806 3.978 1.00 0.00 C ATOM 423 O MET A 27 92.854 -3.724 4.006 1.00 0.00 O ATOM 424 CB MET A 27 93.820 -5.786 1.709 1.00 0.00 C ATOM 425 CG MET A 27 92.810 -4.839 1.045 1.00 0.00 C ATOM 426 SD MET A 27 93.281 -3.112 1.288 1.00 0.00 S ATOM 427 CE MET A 27 91.623 -2.402 1.143 1.00 0.00 C ATOM 0 H MET A 27 95.283 -7.069 3.224 1.00 0.00 H new ATOM 0 HA MET A 27 94.971 -4.219 2.632 1.00 0.00 H new ATOM 0 HB2 MET A 27 94.592 -6.060 0.990 1.00 0.00 H new ATOM 0 HB3 MET A 27 93.318 -6.707 2.005 1.00 0.00 H new ATOM 0 HG2 MET A 27 92.750 -5.056 -0.021 1.00 0.00 H new ATOM 0 HG3 MET A 27 91.818 -5.011 1.462 1.00 0.00 H new ATOM 0 HE1 MET A 27 91.692 -1.314 1.139 1.00 0.00 H new ATOM 0 HE2 MET A 27 91.162 -2.740 0.215 1.00 0.00 H new ATOM 0 HE3 MET A 27 91.014 -2.724 1.988 1.00 0.00 H new ATOM 437 N LYS A 28 93.129 -5.740 4.842 1.00 0.00 N ATOM 438 CA LYS A 28 92.110 -5.498 5.901 1.00 0.00 C ATOM 439 C LYS A 28 92.549 -4.320 6.770 1.00 0.00 C ATOM 440 O LYS A 28 91.733 -3.554 7.240 1.00 0.00 O ATOM 441 CB LYS A 28 91.973 -6.755 6.768 1.00 0.00 C ATOM 442 CG LYS A 28 91.072 -7.829 6.106 1.00 0.00 C ATOM 443 CD LYS A 28 90.714 -7.479 4.648 1.00 0.00 C ATOM 444 CE LYS A 28 90.241 -8.735 3.915 1.00 0.00 C ATOM 445 NZ LYS A 28 88.804 -8.979 4.227 1.00 0.00 N ATOM 0 H LYS A 28 93.564 -6.662 4.861 1.00 0.00 H new ATOM 0 HA LYS A 28 91.149 -5.268 5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 28 92.961 -7.176 6.953 1.00 0.00 H new ATOM 0 HB3 LYS A 28 91.557 -6.482 7.738 1.00 0.00 H new ATOM 0 HG2 LYS A 28 91.582 -8.792 6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 28 90.156 -7.938 6.686 1.00 0.00 H new ATOM 0 HD2 LYS A 28 89.933 -6.719 4.628 1.00 0.00 H new ATOM 0 HD3 LYS A 28 91.582 -7.057 4.142 1.00 0.00 H new ATOM 0 HE2 LYS A 28 90.376 -8.614 2.840 1.00 0.00 H new ATOM 0 HE3 LYS A 28 90.841 -9.593 4.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 88.725 -9.749 4.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 88.382 -8.113 4.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 88.300 -9.245 3.357 1.00 0.00 H new ATOM 459 N ASN A 29 93.825 -4.146 6.983 1.00 0.00 N ATOM 460 CA ASN A 29 94.261 -2.989 7.816 1.00 0.00 C ATOM 461 C ASN A 29 93.863 -1.705 7.086 1.00 0.00 C ATOM 462 O ASN A 29 93.530 -0.694 7.680 1.00 0.00 O ATOM 463 CB ASN A 29 95.780 -3.029 8.000 1.00 0.00 C ATOM 464 CG ASN A 29 96.207 -1.920 8.963 1.00 0.00 C ATOM 465 OD1 ASN A 29 95.517 -0.931 9.113 1.00 0.00 O ATOM 466 ND2 ASN A 29 97.323 -2.043 9.627 1.00 0.00 N ATOM 0 H ASN A 29 94.571 -4.742 6.625 1.00 0.00 H new ATOM 0 HA ASN A 29 93.789 -3.029 8.798 1.00 0.00 H new ATOM 0 HB2 ASN A 29 96.084 -4.000 8.390 1.00 0.00 H new ATOM 0 HB3 ASN A 29 96.277 -2.901 7.038 1.00 0.00 H new ATOM 0 HD21 ASN A 29 97.616 -1.309 10.272 1.00 0.00 H new ATOM 0 HD22 ASN A 29 97.902 -2.873 9.501 1.00 0.00 H new ATOM 473 N ILE A 30 93.891 -1.753 5.790 1.00 0.00 N ATOM 474 CA ILE A 30 93.522 -0.565 4.982 1.00 0.00 C ATOM 475 C ILE A 30 91.997 -0.425 4.950 1.00 0.00 C ATOM 476 O ILE A 30 91.467 0.666 4.927 1.00 0.00 O ATOM 477 CB ILE A 30 94.064 -0.766 3.566 1.00 0.00 C ATOM 478 CG1 ILE A 30 95.445 -1.430 3.670 1.00 0.00 C ATOM 479 CG2 ILE A 30 94.167 0.580 2.823 1.00 0.00 C ATOM 480 CD1 ILE A 30 96.144 -1.407 2.310 1.00 0.00 C ATOM 0 H ILE A 30 94.157 -2.575 5.248 1.00 0.00 H new ATOM 0 HA ILE A 30 93.945 0.341 5.415 1.00 0.00 H new ATOM 0 HB ILE A 30 93.385 -1.402 2.998 1.00 0.00 H new ATOM 0 HG12 ILE A 30 96.053 -0.908 4.409 1.00 0.00 H new ATOM 0 HG13 ILE A 30 95.337 -2.458 4.015 1.00 0.00 H new ATOM 0 HG21 ILE A 30 94.555 0.412 1.818 1.00 0.00 H new ATOM 0 HG22 ILE A 30 93.179 1.037 2.759 1.00 0.00 H new ATOM 0 HG23 ILE A 30 94.840 1.244 3.365 1.00 0.00 H new ATOM 0 HD11 ILE A 30 97.122 -1.880 2.396 1.00 0.00 H new ATOM 0 HD12 ILE A 30 95.541 -1.949 1.582 1.00 0.00 H new ATOM 0 HD13 ILE A 30 96.268 -0.375 1.982 1.00 0.00 H new ATOM 492 N ASN A 31 91.289 -1.522 4.960 1.00 0.00 N ATOM 493 CA ASN A 31 89.799 -1.448 4.940 1.00 0.00 C ATOM 494 C ASN A 31 89.308 -1.003 6.315 1.00 0.00 C ATOM 495 O ASN A 31 88.184 -0.576 6.479 1.00 0.00 O ATOM 496 CB ASN A 31 89.217 -2.827 4.585 1.00 0.00 C ATOM 497 CG ASN A 31 88.802 -3.581 5.854 1.00 0.00 C ATOM 498 OD1 ASN A 31 89.478 -3.522 6.861 1.00 0.00 O ATOM 499 ND2 ASN A 31 87.709 -4.293 5.845 1.00 0.00 N ATOM 0 H ASN A 31 91.677 -2.465 4.981 1.00 0.00 H new ATOM 0 HA ASN A 31 89.471 -0.729 4.189 1.00 0.00 H new ATOM 0 HB2 ASN A 31 88.355 -2.706 3.929 1.00 0.00 H new ATOM 0 HB3 ASN A 31 89.956 -3.409 4.035 1.00 0.00 H new ATOM 0 HD21 ASN A 31 87.423 -4.799 6.683 1.00 0.00 H new ATOM 0 HD22 ASN A 31 87.140 -4.343 5.000 1.00 0.00 H new ATOM 506 N LYS A 32 90.149 -1.090 7.307 1.00 0.00 N ATOM 507 CA LYS A 32 89.725 -0.664 8.666 1.00 0.00 C ATOM 508 C LYS A 32 89.913 0.847 8.781 1.00 0.00 C ATOM 509 O LYS A 32 89.127 1.535 9.403 1.00 0.00 O ATOM 510 CB LYS A 32 90.551 -1.416 9.728 1.00 0.00 C ATOM 511 CG LYS A 32 91.871 -0.685 10.029 1.00 0.00 C ATOM 512 CD LYS A 32 91.688 0.259 11.227 1.00 0.00 C ATOM 513 CE LYS A 32 91.914 -0.512 12.530 1.00 0.00 C ATOM 514 NZ LYS A 32 93.375 -0.718 12.740 1.00 0.00 N ATOM 0 H LYS A 32 91.106 -1.436 7.235 1.00 0.00 H new ATOM 0 HA LYS A 32 88.675 -0.903 8.833 1.00 0.00 H new ATOM 0 HB2 LYS A 32 89.969 -1.512 10.644 1.00 0.00 H new ATOM 0 HB3 LYS A 32 90.764 -2.426 9.378 1.00 0.00 H new ATOM 0 HG2 LYS A 32 92.657 -1.409 10.243 1.00 0.00 H new ATOM 0 HG3 LYS A 32 92.190 -0.118 9.154 1.00 0.00 H new ATOM 0 HD2 LYS A 32 92.390 1.090 11.158 1.00 0.00 H new ATOM 0 HD3 LYS A 32 90.686 0.687 11.215 1.00 0.00 H new ATOM 0 HE2 LYS A 32 91.490 0.039 13.369 1.00 0.00 H new ATOM 0 HE3 LYS A 32 91.403 -1.474 12.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 93.554 -0.940 13.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 93.703 -1.506 12.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 93.889 0.148 12.481 1.00 0.00 H new ATOM 528 N HIS A 33 90.947 1.373 8.180 1.00 0.00 N ATOM 529 CA HIS A 33 91.173 2.844 8.253 1.00 0.00 C ATOM 530 C HIS A 33 90.432 3.543 7.100 1.00 0.00 C ATOM 531 O HIS A 33 90.162 4.726 7.159 1.00 0.00 O ATOM 532 CB HIS A 33 92.684 3.125 8.190 1.00 0.00 C ATOM 533 CG HIS A 33 93.024 3.928 6.964 1.00 0.00 C ATOM 534 ND1 HIS A 33 92.887 5.308 6.918 1.00 0.00 N ATOM 535 CD2 HIS A 33 93.502 3.555 5.736 1.00 0.00 C ATOM 536 CE1 HIS A 33 93.276 5.712 5.694 1.00 0.00 C ATOM 537 NE2 HIS A 33 93.660 4.682 4.938 1.00 0.00 N ATOM 0 H HIS A 33 91.641 0.850 7.645 1.00 0.00 H new ATOM 0 HA HIS A 33 90.782 3.236 9.192 1.00 0.00 H new ATOM 0 HB2 HIS A 33 92.996 3.666 9.083 1.00 0.00 H new ATOM 0 HB3 HIS A 33 93.234 2.184 8.179 1.00 0.00 H new ATOM 0 HD2 HIS A 33 93.722 2.542 5.434 1.00 0.00 H new ATOM 0 HE1 HIS A 33 93.277 6.741 5.365 1.00 0.00 H new ATOM 0 HE2 HIS A 33 93.998 4.715 3.976 1.00 0.00 H new ATOM 546 N THR A 34 90.092 2.824 6.057 1.00 0.00 N ATOM 547 CA THR A 34 89.359 3.459 4.914 1.00 0.00 C ATOM 548 C THR A 34 87.872 3.118 5.005 1.00 0.00 C ATOM 549 O THR A 34 87.060 3.654 4.277 1.00 0.00 O ATOM 550 CB THR A 34 89.890 2.925 3.578 1.00 0.00 C ATOM 551 OG1 THR A 34 89.802 1.508 3.569 1.00 0.00 O ATOM 552 CG2 THR A 34 91.343 3.348 3.379 1.00 0.00 C ATOM 0 H THR A 34 90.289 1.829 5.947 1.00 0.00 H new ATOM 0 HA THR A 34 89.508 4.537 4.967 1.00 0.00 H new ATOM 0 HB THR A 34 89.289 3.337 2.767 1.00 0.00 H new ATOM 0 HG1 THR A 34 90.646 1.126 3.889 1.00 0.00 H new ATOM 0 HG21 THR A 34 91.707 2.962 2.427 1.00 0.00 H new ATOM 0 HG22 THR A 34 91.408 4.436 3.379 1.00 0.00 H new ATOM 0 HG23 THR A 34 91.953 2.948 4.189 1.00 0.00 H new ATOM 560 N LYS A 35 87.508 2.219 5.875 1.00 0.00 N ATOM 561 CA LYS A 35 86.071 1.841 5.984 1.00 0.00 C ATOM 562 C LYS A 35 85.581 1.369 4.611 1.00 0.00 C ATOM 563 O LYS A 35 84.421 1.500 4.272 1.00 0.00 O ATOM 564 CB LYS A 35 85.252 3.054 6.433 1.00 0.00 C ATOM 565 CG LYS A 35 85.984 3.775 7.567 1.00 0.00 C ATOM 566 CD LYS A 35 86.239 2.797 8.716 1.00 0.00 C ATOM 567 CE LYS A 35 86.605 3.577 9.980 1.00 0.00 C ATOM 568 NZ LYS A 35 86.951 2.621 11.070 1.00 0.00 N ATOM 0 H LYS A 35 88.138 1.732 6.512 1.00 0.00 H new ATOM 0 HA LYS A 35 85.952 1.042 6.716 1.00 0.00 H new ATOM 0 HB2 LYS A 35 85.100 3.734 5.594 1.00 0.00 H new ATOM 0 HB3 LYS A 35 84.265 2.735 6.768 1.00 0.00 H new ATOM 0 HG2 LYS A 35 86.929 4.180 7.204 1.00 0.00 H new ATOM 0 HG3 LYS A 35 85.390 4.618 7.919 1.00 0.00 H new ATOM 0 HD2 LYS A 35 85.351 2.190 8.895 1.00 0.00 H new ATOM 0 HD3 LYS A 35 87.045 2.112 8.452 1.00 0.00 H new ATOM 0 HE2 LYS A 35 87.448 4.239 9.781 1.00 0.00 H new ATOM 0 HE3 LYS A 35 85.770 4.207 10.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 87.200 3.150 11.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 86.135 2.007 11.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 87.760 2.038 10.776 1.00 0.00 H new ATOM 582 N ARG A 36 86.466 0.827 3.816 1.00 0.00 N ATOM 583 CA ARG A 36 86.075 0.349 2.459 1.00 0.00 C ATOM 584 C ARG A 36 87.214 -0.500 1.887 1.00 0.00 C ATOM 585 O ARG A 36 88.362 -0.316 2.237 1.00 0.00 O ATOM 586 CB ARG A 36 85.824 1.563 1.557 1.00 0.00 C ATOM 587 CG ARG A 36 86.103 1.204 0.091 1.00 0.00 C ATOM 588 CD ARG A 36 85.046 0.226 -0.430 1.00 0.00 C ATOM 589 NE ARG A 36 84.308 0.853 -1.563 1.00 0.00 N ATOM 590 CZ ARG A 36 84.921 1.089 -2.690 1.00 0.00 C ATOM 591 NH1 ARG A 36 86.181 0.776 -2.826 1.00 0.00 N ATOM 592 NH2 ARG A 36 84.275 1.639 -3.682 1.00 0.00 N ATOM 0 H ARG A 36 87.450 0.695 4.051 1.00 0.00 H new ATOM 0 HA ARG A 36 85.168 -0.252 2.515 1.00 0.00 H new ATOM 0 HB2 ARG A 36 84.793 1.899 1.666 1.00 0.00 H new ATOM 0 HB3 ARG A 36 86.463 2.391 1.864 1.00 0.00 H new ATOM 0 HG2 ARG A 36 86.102 2.108 -0.518 1.00 0.00 H new ATOM 0 HG3 ARG A 36 87.094 0.760 0.001 1.00 0.00 H new ATOM 0 HD2 ARG A 36 85.520 -0.699 -0.758 1.00 0.00 H new ATOM 0 HD3 ARG A 36 84.353 -0.037 0.369 1.00 0.00 H new ATOM 0 HE ARG A 36 83.323 1.098 -1.457 1.00 0.00 H new ATOM 0 HH11 ARG A 36 86.686 0.347 -2.051 1.00 0.00 H new ATOM 0 HH12 ARG A 36 86.660 0.961 -3.707 1.00 0.00 H new ATOM 0 HH21 ARG A 36 83.291 1.884 -3.576 1.00 0.00 H new ATOM 0 HH22 ARG A 36 84.755 1.823 -4.563 1.00 0.00 H new ATOM 606 N CYS A 37 86.922 -1.418 0.998 1.00 0.00 N ATOM 607 CA CYS A 37 88.012 -2.244 0.416 1.00 0.00 C ATOM 608 C CYS A 37 88.506 -1.599 -0.879 1.00 0.00 C ATOM 609 O CYS A 37 87.921 -1.763 -1.931 1.00 0.00 O ATOM 610 CB CYS A 37 87.490 -3.650 0.130 1.00 0.00 C ATOM 611 SG CYS A 37 87.932 -4.734 1.515 1.00 0.00 S ATOM 0 H CYS A 37 85.984 -1.626 0.656 1.00 0.00 H new ATOM 0 HA CYS A 37 88.839 -2.306 1.123 1.00 0.00 H new ATOM 0 HB2 CYS A 37 86.408 -3.631 -0.003 1.00 0.00 H new ATOM 0 HB3 CYS A 37 87.919 -4.030 -0.797 1.00 0.00 H new ATOM 616 N LYS A 38 89.576 -0.859 -0.790 1.00 0.00 N ATOM 617 CA LYS A 38 90.153 -0.175 -1.988 1.00 0.00 C ATOM 618 C LYS A 38 89.982 -1.025 -3.258 1.00 0.00 C ATOM 619 O LYS A 38 90.112 -0.520 -4.353 1.00 0.00 O ATOM 620 CB LYS A 38 91.647 0.072 -1.749 1.00 0.00 C ATOM 621 CG LYS A 38 91.834 1.252 -0.787 1.00 0.00 C ATOM 622 CD LYS A 38 91.405 2.562 -1.468 1.00 0.00 C ATOM 623 CE LYS A 38 92.266 3.718 -0.951 1.00 0.00 C ATOM 624 NZ LYS A 38 91.706 5.010 -1.437 1.00 0.00 N ATOM 0 H LYS A 38 90.086 -0.695 0.078 1.00 0.00 H new ATOM 0 HA LYS A 38 89.624 0.767 -2.133 1.00 0.00 H new ATOM 0 HB2 LYS A 38 92.111 -0.823 -1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 38 92.146 0.281 -2.695 1.00 0.00 H new ATOM 0 HG2 LYS A 38 91.244 1.092 0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 38 92.877 1.318 -0.479 1.00 0.00 H new ATOM 0 HD2 LYS A 38 91.510 2.473 -2.549 1.00 0.00 H new ATOM 0 HD3 LYS A 38 90.353 2.761 -1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 38 92.292 3.707 0.139 1.00 0.00 H new ATOM 0 HE3 LYS A 38 93.294 3.602 -1.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 92.290 5.796 -1.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 91.703 5.018 -2.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 90.733 5.120 -1.088 1.00 0.00 H new ATOM 638 N ASP A 39 89.696 -2.301 -3.132 1.00 0.00 N ATOM 639 CA ASP A 39 89.522 -3.158 -4.345 1.00 0.00 C ATOM 640 C ASP A 39 90.890 -3.601 -4.871 1.00 0.00 C ATOM 641 O ASP A 39 91.022 -4.649 -5.468 1.00 0.00 O ATOM 642 CB ASP A 39 88.770 -2.393 -5.445 1.00 0.00 C ATOM 643 CG ASP A 39 87.704 -1.495 -4.814 1.00 0.00 C ATOM 644 OD1 ASP A 39 86.822 -2.026 -4.160 1.00 0.00 O ATOM 645 OD2 ASP A 39 87.788 -0.292 -4.996 1.00 0.00 O ATOM 0 H ASP A 39 89.576 -2.783 -2.241 1.00 0.00 H new ATOM 0 HA ASP A 39 88.938 -4.035 -4.066 1.00 0.00 H new ATOM 0 HB2 ASP A 39 89.469 -1.791 -6.025 1.00 0.00 H new ATOM 0 HB3 ASP A 39 88.304 -3.095 -6.136 1.00 0.00 H new ATOM 650 N LEU A 40 91.912 -2.816 -4.656 1.00 0.00 N ATOM 651 CA LEU A 40 93.266 -3.207 -5.150 1.00 0.00 C ATOM 652 C LEU A 40 94.334 -2.669 -4.190 1.00 0.00 C ATOM 653 O LEU A 40 94.234 -1.569 -3.685 1.00 0.00 O ATOM 654 CB LEU A 40 93.482 -2.618 -6.560 1.00 0.00 C ATOM 655 CG LEU A 40 93.839 -3.715 -7.578 1.00 0.00 C ATOM 656 CD1 LEU A 40 95.153 -4.410 -7.191 1.00 0.00 C ATOM 657 CD2 LEU A 40 92.703 -4.742 -7.652 1.00 0.00 C ATOM 0 H LEU A 40 91.869 -1.925 -4.162 1.00 0.00 H new ATOM 0 HA LEU A 40 93.343 -4.293 -5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 40 92.578 -2.101 -6.882 1.00 0.00 H new ATOM 0 HB3 LEU A 40 94.280 -1.876 -6.528 1.00 0.00 H new ATOM 0 HG LEU A 40 93.972 -3.252 -8.556 1.00 0.00 H new ATOM 0 HD11 LEU A 40 95.386 -5.182 -7.924 1.00 0.00 H new ATOM 0 HD12 LEU A 40 95.959 -3.677 -7.167 1.00 0.00 H new ATOM 0 HD13 LEU A 40 95.048 -4.865 -6.206 1.00 0.00 H new ATOM 0 HD21 LEU A 40 92.960 -5.517 -8.374 1.00 0.00 H new ATOM 0 HD22 LEU A 40 92.557 -5.194 -6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 40 91.784 -4.246 -7.964 1.00 0.00 H new ATOM 669 N ASN A 41 95.356 -3.443 -3.936 1.00 0.00 N ATOM 670 CA ASN A 41 96.435 -2.989 -3.012 1.00 0.00 C ATOM 671 C ASN A 41 97.740 -3.696 -3.379 1.00 0.00 C ATOM 672 O ASN A 41 97.778 -4.897 -3.553 1.00 0.00 O ATOM 673 CB ASN A 41 96.046 -3.331 -1.574 1.00 0.00 C ATOM 674 CG ASN A 41 94.751 -2.602 -1.216 1.00 0.00 C ATOM 675 OD1 ASN A 41 93.674 -3.147 -1.361 1.00 0.00 O ATOM 676 ND2 ASN A 41 94.808 -1.383 -0.756 1.00 0.00 N ATOM 0 H ASN A 41 95.490 -4.374 -4.331 1.00 0.00 H new ATOM 0 HA ASN A 41 96.570 -1.911 -3.100 1.00 0.00 H new ATOM 0 HB2 ASN A 41 95.913 -4.408 -1.467 1.00 0.00 H new ATOM 0 HB3 ASN A 41 96.843 -3.039 -0.890 1.00 0.00 H new ATOM 0 HD21 ASN A 41 93.949 -0.887 -0.518 1.00 0.00 H new ATOM 0 HD22 ASN A 41 95.712 -0.926 -0.634 1.00 0.00 H new ATOM 683 N THR A 42 98.808 -2.958 -3.512 1.00 0.00 N ATOM 684 CA THR A 42 100.114 -3.579 -3.881 1.00 0.00 C ATOM 685 C THR A 42 101.053 -3.566 -2.671 1.00 0.00 C ATOM 686 O THR A 42 100.952 -2.729 -1.799 1.00 0.00 O ATOM 687 CB THR A 42 100.743 -2.778 -5.032 1.00 0.00 C ATOM 688 OG1 THR A 42 100.214 -1.460 -5.027 1.00 0.00 O ATOM 689 CG2 THR A 42 100.426 -3.444 -6.374 1.00 0.00 C ATOM 0 H THR A 42 98.833 -1.947 -3.381 1.00 0.00 H new ATOM 0 HA THR A 42 99.953 -4.610 -4.195 1.00 0.00 H new ATOM 0 HB THR A 42 101.824 -2.747 -4.897 1.00 0.00 H new ATOM 0 HG1 THR A 42 100.613 -0.944 -5.758 1.00 0.00 H new ATOM 0 HG21 THR A 42 100.877 -2.867 -7.182 1.00 0.00 H new ATOM 0 HG22 THR A 42 100.829 -4.457 -6.382 1.00 0.00 H new ATOM 0 HG23 THR A 42 99.346 -3.483 -6.515 1.00 0.00 H new ATOM 697 N PHE A 43 101.966 -4.497 -2.619 1.00 0.00 N ATOM 698 CA PHE A 43 102.926 -4.556 -1.478 1.00 0.00 C ATOM 699 C PHE A 43 104.321 -4.852 -2.039 1.00 0.00 C ATOM 700 O PHE A 43 104.453 -5.357 -3.132 1.00 0.00 O ATOM 701 CB PHE A 43 102.500 -5.666 -0.507 1.00 0.00 C ATOM 702 CG PHE A 43 101.156 -5.320 0.100 1.00 0.00 C ATOM 703 CD1 PHE A 43 100.001 -5.370 -0.688 1.00 0.00 C ATOM 704 CD2 PHE A 43 101.064 -4.944 1.447 1.00 0.00 C ATOM 705 CE1 PHE A 43 98.759 -5.046 -0.132 1.00 0.00 C ATOM 706 CE2 PHE A 43 99.821 -4.619 2.002 1.00 0.00 C ATOM 707 CZ PHE A 43 98.668 -4.670 1.212 1.00 0.00 C ATOM 0 H PHE A 43 102.090 -5.225 -3.323 1.00 0.00 H new ATOM 0 HA PHE A 43 102.937 -3.608 -0.940 1.00 0.00 H new ATOM 0 HB2 PHE A 43 102.439 -6.619 -1.032 1.00 0.00 H new ATOM 0 HB3 PHE A 43 103.246 -5.782 0.279 1.00 0.00 H new ATOM 0 HD1 PHE A 43 100.068 -5.659 -1.726 1.00 0.00 H new ATOM 0 HD2 PHE A 43 101.954 -4.905 2.058 1.00 0.00 H new ATOM 0 HE1 PHE A 43 97.869 -5.086 -0.742 1.00 0.00 H new ATOM 0 HE2 PHE A 43 99.752 -4.329 3.040 1.00 0.00 H new ATOM 0 HZ PHE A 43 97.708 -4.419 1.639 1.00 0.00 H new ATOM 717 N LEU A 44 105.361 -4.540 -1.308 1.00 0.00 N ATOM 718 CA LEU A 44 106.745 -4.804 -1.811 1.00 0.00 C ATOM 719 C LEU A 44 107.447 -5.755 -0.835 1.00 0.00 C ATOM 720 O LEU A 44 107.121 -5.784 0.335 1.00 0.00 O ATOM 721 CB LEU A 44 107.514 -3.478 -1.927 1.00 0.00 C ATOM 722 CG LEU A 44 106.722 -2.497 -2.803 1.00 0.00 C ATOM 723 CD1 LEU A 44 107.506 -1.189 -2.966 1.00 0.00 C ATOM 724 CD2 LEU A 44 106.491 -3.118 -4.180 1.00 0.00 C ATOM 0 H LEU A 44 105.312 -4.113 -0.383 1.00 0.00 H new ATOM 0 HA LEU A 44 106.709 -5.265 -2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 44 107.673 -3.050 -0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 44 108.499 -3.654 -2.360 1.00 0.00 H new ATOM 0 HG LEU A 44 105.765 -2.287 -2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 44 106.937 -0.499 -3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 44 107.673 -0.741 -1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 44 108.466 -1.397 -3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 44 105.929 -2.423 -4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 44 107.452 -3.330 -4.649 1.00 0.00 H new ATOM 0 HD23 LEU A 44 105.928 -4.045 -4.071 1.00 0.00 H new ATOM 736 N HIS A 45 108.394 -6.547 -1.292 1.00 0.00 N ATOM 737 CA HIS A 45 109.074 -7.499 -0.348 1.00 0.00 C ATOM 738 C HIS A 45 110.517 -7.078 -0.116 1.00 0.00 C ATOM 739 O HIS A 45 111.449 -7.746 -0.520 1.00 0.00 O ATOM 740 CB HIS A 45 109.048 -8.924 -0.914 1.00 0.00 C ATOM 741 CG HIS A 45 109.108 -9.917 0.215 1.00 0.00 C ATOM 742 ND1 HIS A 45 108.053 -10.771 0.508 1.00 0.00 N ATOM 743 CD2 HIS A 45 110.089 -10.205 1.133 1.00 0.00 C ATOM 744 CE1 HIS A 45 108.421 -11.524 1.561 1.00 0.00 C ATOM 745 NE2 HIS A 45 109.651 -11.218 1.977 1.00 0.00 N ATOM 0 H HIS A 45 108.720 -6.577 -2.258 1.00 0.00 H new ATOM 0 HA HIS A 45 108.536 -7.478 0.600 1.00 0.00 H new ATOM 0 HB2 HIS A 45 108.141 -9.077 -1.499 1.00 0.00 H new ATOM 0 HB3 HIS A 45 109.891 -9.074 -1.588 1.00 0.00 H new ATOM 0 HD1 HIS A 45 107.161 -10.819 0.015 1.00 0.00 H new ATOM 0 HD2 HIS A 45 111.052 -9.719 1.190 1.00 0.00 H new ATOM 0 HE1 HIS A 45 107.798 -12.282 2.013 1.00 0.00 H new ATOM 754 N GLU A 46 110.709 -5.984 0.549 1.00 0.00 N ATOM 755 CA GLU A 46 112.086 -5.522 0.831 1.00 0.00 C ATOM 756 C GLU A 46 112.052 -4.772 2.170 1.00 0.00 C ATOM 757 O GLU A 46 111.270 -3.864 2.345 1.00 0.00 O ATOM 758 CB GLU A 46 112.533 -4.610 -0.317 1.00 0.00 C ATOM 759 CG GLU A 46 113.851 -3.921 0.028 1.00 0.00 C ATOM 760 CD GLU A 46 114.319 -3.104 -1.179 1.00 0.00 C ATOM 761 OE1 GLU A 46 113.599 -2.200 -1.571 1.00 0.00 O ATOM 762 OE2 GLU A 46 115.387 -3.397 -1.690 1.00 0.00 O ATOM 0 H GLU A 46 109.967 -5.385 0.912 1.00 0.00 H new ATOM 0 HA GLU A 46 112.794 -6.348 0.903 1.00 0.00 H new ATOM 0 HB2 GLU A 46 112.650 -5.195 -1.229 1.00 0.00 H new ATOM 0 HB3 GLU A 46 111.766 -3.862 -0.514 1.00 0.00 H new ATOM 0 HG2 GLU A 46 113.721 -3.272 0.894 1.00 0.00 H new ATOM 0 HG3 GLU A 46 114.604 -4.662 0.296 1.00 0.00 H new ATOM 769 N PRO A 47 112.854 -5.163 3.131 1.00 0.00 N ATOM 770 CA PRO A 47 112.852 -4.504 4.465 1.00 0.00 C ATOM 771 C PRO A 47 112.888 -2.984 4.351 1.00 0.00 C ATOM 772 O PRO A 47 113.772 -2.423 3.740 1.00 0.00 O ATOM 773 CB PRO A 47 114.118 -5.007 5.148 1.00 0.00 C ATOM 774 CG PRO A 47 114.480 -6.286 4.456 1.00 0.00 C ATOM 775 CD PRO A 47 113.837 -6.256 3.061 1.00 0.00 C ATOM 0 HA PRO A 47 111.944 -4.742 5.020 1.00 0.00 H new ATOM 0 HB2 PRO A 47 114.923 -4.277 5.064 1.00 0.00 H new ATOM 0 HB3 PRO A 47 113.948 -5.173 6.212 1.00 0.00 H new ATOM 0 HG2 PRO A 47 115.563 -6.386 4.377 1.00 0.00 H new ATOM 0 HG3 PRO A 47 114.122 -7.144 5.025 1.00 0.00 H new ATOM 0 HD2 PRO A 47 114.580 -6.072 2.285 1.00 0.00 H new ATOM 0 HD3 PRO A 47 113.358 -7.206 2.824 1.00 0.00 H new ATOM 783 N PHE A 48 111.933 -2.323 4.939 1.00 0.00 N ATOM 784 CA PHE A 48 111.886 -0.833 4.882 1.00 0.00 C ATOM 785 C PHE A 48 113.290 -0.256 5.004 1.00 0.00 C ATOM 786 O PHE A 48 113.531 0.859 4.625 1.00 0.00 O ATOM 787 CB PHE A 48 110.996 -0.324 6.007 1.00 0.00 C ATOM 788 CG PHE A 48 109.921 -1.362 6.255 1.00 0.00 C ATOM 789 CD1 PHE A 48 109.303 -1.994 5.165 1.00 0.00 C ATOM 790 CD2 PHE A 48 109.549 -1.703 7.561 1.00 0.00 C ATOM 791 CE1 PHE A 48 108.317 -2.961 5.380 1.00 0.00 C ATOM 792 CE2 PHE A 48 108.559 -2.675 7.775 1.00 0.00 C ATOM 793 CZ PHE A 48 107.944 -3.302 6.685 1.00 0.00 C ATOM 0 H PHE A 48 111.172 -2.755 5.464 1.00 0.00 H new ATOM 0 HA PHE A 48 111.474 -0.514 3.924 1.00 0.00 H new ATOM 0 HB2 PHE A 48 111.581 -0.157 6.911 1.00 0.00 H new ATOM 0 HB3 PHE A 48 110.548 0.632 5.736 1.00 0.00 H new ATOM 0 HD1 PHE A 48 109.590 -1.732 4.157 1.00 0.00 H new ATOM 0 HD2 PHE A 48 110.023 -1.219 8.402 1.00 0.00 H new ATOM 0 HE1 PHE A 48 107.843 -3.445 4.539 1.00 0.00 H new ATOM 0 HE2 PHE A 48 108.271 -2.939 8.782 1.00 0.00 H new ATOM 0 HZ PHE A 48 107.182 -4.049 6.851 1.00 0.00 H new ATOM 803 N SER A 49 114.222 -1.007 5.510 1.00 0.00 N ATOM 804 CA SER A 49 115.610 -0.488 5.610 1.00 0.00 C ATOM 805 C SER A 49 116.210 -0.489 4.204 1.00 0.00 C ATOM 806 O SER A 49 116.948 0.402 3.822 1.00 0.00 O ATOM 807 CB SER A 49 116.436 -1.390 6.528 1.00 0.00 C ATOM 808 OG SER A 49 115.773 -1.521 7.778 1.00 0.00 O ATOM 0 H SER A 49 114.084 -1.956 5.858 1.00 0.00 H new ATOM 0 HA SER A 49 115.612 0.520 6.025 1.00 0.00 H new ATOM 0 HB2 SER A 49 116.570 -2.370 6.070 1.00 0.00 H new ATOM 0 HB3 SER A 49 117.430 -0.968 6.673 1.00 0.00 H new ATOM 0 HG SER A 49 116.299 -2.100 8.368 1.00 0.00 H new ATOM 814 N SER A 50 115.866 -1.472 3.414 1.00 0.00 N ATOM 815 CA SER A 50 116.384 -1.521 2.025 1.00 0.00 C ATOM 816 C SER A 50 115.472 -0.651 1.165 1.00 0.00 C ATOM 817 O SER A 50 115.929 0.195 0.425 1.00 0.00 O ATOM 818 CB SER A 50 116.388 -2.968 1.526 1.00 0.00 C ATOM 819 OG SER A 50 117.640 -3.564 1.837 1.00 0.00 O ATOM 0 H SER A 50 115.248 -2.241 3.675 1.00 0.00 H new ATOM 0 HA SER A 50 117.408 -1.150 1.974 1.00 0.00 H new ATOM 0 HB2 SER A 50 115.578 -3.529 1.993 1.00 0.00 H new ATOM 0 HB3 SER A 50 116.216 -2.995 0.450 1.00 0.00 H new ATOM 0 HG SER A 50 117.648 -4.492 1.521 1.00 0.00 H new ATOM 825 N VAL A 51 114.179 -0.813 1.293 1.00 0.00 N ATOM 826 CA VAL A 51 113.254 0.059 0.514 1.00 0.00 C ATOM 827 C VAL A 51 113.613 1.492 0.880 1.00 0.00 C ATOM 828 O VAL A 51 113.653 2.381 0.053 1.00 0.00 O ATOM 829 CB VAL A 51 111.784 -0.201 0.898 1.00 0.00 C ATOM 830 CG1 VAL A 51 110.906 -0.175 -0.356 1.00 0.00 C ATOM 831 CG2 VAL A 51 111.649 -1.563 1.564 1.00 0.00 C ATOM 0 H VAL A 51 113.730 -1.503 1.896 1.00 0.00 H new ATOM 0 HA VAL A 51 113.357 -0.139 -0.553 1.00 0.00 H new ATOM 0 HB VAL A 51 111.464 0.578 1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 51 109.868 -0.359 -0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 51 110.985 0.801 -0.835 1.00 0.00 H new ATOM 0 HG13 VAL A 51 111.239 -0.948 -1.049 1.00 0.00 H new ATOM 0 HG21 VAL A 51 110.606 -1.736 1.831 1.00 0.00 H new ATOM 0 HG22 VAL A 51 111.981 -2.340 0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 51 112.263 -1.590 2.464 1.00 0.00 H new ATOM 841 N ALA A 52 113.898 1.702 2.136 1.00 0.00 N ATOM 842 CA ALA A 52 114.287 3.051 2.607 1.00 0.00 C ATOM 843 C ALA A 52 115.419 3.542 1.710 1.00 0.00 C ATOM 844 O ALA A 52 115.392 4.639 1.190 1.00 0.00 O ATOM 845 CB ALA A 52 114.781 2.964 4.055 1.00 0.00 C ATOM 0 H ALA A 52 113.876 0.984 2.860 1.00 0.00 H new ATOM 0 HA ALA A 52 113.439 3.734 2.566 1.00 0.00 H new ATOM 0 HB1 ALA A 52 115.067 3.957 4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 52 113.984 2.574 4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 52 115.643 2.299 4.106 1.00 0.00 H new ATOM 851 N ALA A 53 116.415 2.717 1.521 1.00 0.00 N ATOM 852 CA ALA A 53 117.557 3.108 0.650 1.00 0.00 C ATOM 853 C ALA A 53 117.081 3.216 -0.803 1.00 0.00 C ATOM 854 O ALA A 53 117.578 4.022 -1.565 1.00 0.00 O ATOM 855 CB ALA A 53 118.659 2.052 0.748 1.00 0.00 C ATOM 0 H ALA A 53 116.485 1.787 1.934 1.00 0.00 H new ATOM 0 HA ALA A 53 117.947 4.072 0.976 1.00 0.00 H new ATOM 0 HB1 ALA A 53 119.495 2.338 0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 53 119.000 1.976 1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 53 118.269 1.088 0.423 1.00 0.00 H new ATOM 861 N THR A 54 116.122 2.418 -1.201 1.00 0.00 N ATOM 862 CA THR A 54 115.636 2.502 -2.608 1.00 0.00 C ATOM 863 C THR A 54 115.075 3.898 -2.844 1.00 0.00 C ATOM 864 O THR A 54 115.243 4.474 -3.899 1.00 0.00 O ATOM 865 CB THR A 54 114.536 1.456 -2.870 1.00 0.00 C ATOM 866 OG1 THR A 54 115.138 0.194 -3.122 1.00 0.00 O ATOM 867 CG2 THR A 54 113.695 1.872 -4.087 1.00 0.00 C ATOM 0 H THR A 54 115.660 1.720 -0.618 1.00 0.00 H new ATOM 0 HA THR A 54 116.466 2.303 -3.286 1.00 0.00 H new ATOM 0 HB THR A 54 113.889 1.389 -1.995 1.00 0.00 H new ATOM 0 HG1 THR A 54 114.649 -0.504 -2.638 1.00 0.00 H new ATOM 0 HG21 THR A 54 112.920 1.127 -4.265 1.00 0.00 H new ATOM 0 HG22 THR A 54 113.231 2.840 -3.895 1.00 0.00 H new ATOM 0 HG23 THR A 54 114.337 1.945 -4.965 1.00 0.00 H new ATOM 875 N CYS A 55 114.413 4.457 -1.874 1.00 0.00 N ATOM 876 CA CYS A 55 113.856 5.814 -2.072 1.00 0.00 C ATOM 877 C CYS A 55 114.982 6.834 -1.916 1.00 0.00 C ATOM 878 O CYS A 55 114.759 7.984 -1.596 1.00 0.00 O ATOM 879 CB CYS A 55 112.755 6.063 -1.046 1.00 0.00 C ATOM 880 SG CYS A 55 111.570 7.242 -1.727 1.00 0.00 S ATOM 0 H CYS A 55 114.236 4.036 -0.962 1.00 0.00 H new ATOM 0 HA CYS A 55 113.426 5.908 -3.069 1.00 0.00 H new ATOM 0 HB2 CYS A 55 112.254 5.127 -0.797 1.00 0.00 H new ATOM 0 HB3 CYS A 55 113.183 6.451 -0.122 1.00 0.00 H new ATOM 885 N GLN A 56 116.197 6.408 -2.152 1.00 0.00 N ATOM 886 CA GLN A 56 117.363 7.329 -2.035 1.00 0.00 C ATOM 887 C GLN A 56 118.016 7.491 -3.410 1.00 0.00 C ATOM 888 O GLN A 56 118.718 8.449 -3.662 1.00 0.00 O ATOM 889 CB GLN A 56 118.380 6.741 -1.053 1.00 0.00 C ATOM 890 CG GLN A 56 119.363 7.832 -0.620 1.00 0.00 C ATOM 891 CD GLN A 56 120.528 7.197 0.140 1.00 0.00 C ATOM 892 OE1 GLN A 56 120.494 6.025 0.460 1.00 0.00 O ATOM 893 NE2 GLN A 56 121.567 7.926 0.445 1.00 0.00 N ATOM 0 H GLN A 56 116.431 5.453 -2.423 1.00 0.00 H new ATOM 0 HA GLN A 56 117.029 8.301 -1.671 1.00 0.00 H new ATOM 0 HB2 GLN A 56 117.867 6.333 -0.182 1.00 0.00 H new ATOM 0 HB3 GLN A 56 118.918 5.917 -1.521 1.00 0.00 H new ATOM 0 HG2 GLN A 56 119.734 8.369 -1.493 1.00 0.00 H new ATOM 0 HG3 GLN A 56 118.857 8.562 0.012 1.00 0.00 H new ATOM 0 HE21 GLN A 56 121.596 8.910 0.177 1.00 0.00 H new ATOM 0 HE22 GLN A 56 122.350 7.512 0.952 1.00 0.00 H new ATOM 902 N THR A 57 117.786 6.567 -4.308 1.00 0.00 N ATOM 903 CA THR A 57 118.396 6.692 -5.665 1.00 0.00 C ATOM 904 C THR A 57 117.798 7.920 -6.357 1.00 0.00 C ATOM 905 O THR A 57 116.703 8.340 -6.038 1.00 0.00 O ATOM 906 CB THR A 57 118.098 5.431 -6.495 1.00 0.00 C ATOM 907 OG1 THR A 57 117.915 5.793 -7.856 1.00 0.00 O ATOM 908 CG2 THR A 57 116.831 4.755 -5.978 1.00 0.00 C ATOM 0 H THR A 57 117.208 5.739 -4.162 1.00 0.00 H new ATOM 0 HA THR A 57 119.477 6.802 -5.575 1.00 0.00 H new ATOM 0 HB THR A 57 118.936 4.740 -6.407 1.00 0.00 H new ATOM 0 HG1 THR A 57 117.727 4.990 -8.386 1.00 0.00 H new ATOM 0 HG21 THR A 57 116.627 3.863 -6.571 1.00 0.00 H new ATOM 0 HG22 THR A 57 116.969 4.473 -4.934 1.00 0.00 H new ATOM 0 HG23 THR A 57 115.991 5.445 -6.060 1.00 0.00 H new ATOM 916 N PRO A 58 118.507 8.496 -7.294 1.00 0.00 N ATOM 917 CA PRO A 58 118.037 9.695 -8.036 1.00 0.00 C ATOM 918 C PRO A 58 116.517 9.689 -8.231 1.00 0.00 C ATOM 919 O PRO A 58 115.982 8.901 -8.986 1.00 0.00 O ATOM 920 CB PRO A 58 118.767 9.572 -9.370 1.00 0.00 C ATOM 921 CG PRO A 58 120.063 8.889 -9.044 1.00 0.00 C ATOM 922 CD PRO A 58 119.837 8.071 -7.759 1.00 0.00 C ATOM 0 HA PRO A 58 118.243 10.627 -7.510 1.00 0.00 H new ATOM 0 HB2 PRO A 58 118.185 8.992 -10.086 1.00 0.00 H new ATOM 0 HB3 PRO A 58 118.939 10.551 -9.817 1.00 0.00 H new ATOM 0 HG2 PRO A 58 120.373 8.240 -9.863 1.00 0.00 H new ATOM 0 HG3 PRO A 58 120.858 9.621 -8.899 1.00 0.00 H new ATOM 0 HD2 PRO A 58 119.867 7.000 -7.958 1.00 0.00 H new ATOM 0 HD3 PRO A 58 120.605 8.278 -7.014 1.00 0.00 H new ATOM 930 N LYS A 59 115.817 10.551 -7.544 1.00 0.00 N ATOM 931 CA LYS A 59 114.334 10.578 -7.680 1.00 0.00 C ATOM 932 C LYS A 59 113.936 10.941 -9.110 1.00 0.00 C ATOM 933 O LYS A 59 114.720 10.848 -10.033 1.00 0.00 O ATOM 934 CB LYS A 59 113.730 11.602 -6.708 1.00 0.00 C ATOM 935 CG LYS A 59 114.639 12.826 -6.584 1.00 0.00 C ATOM 936 CD LYS A 59 115.022 13.354 -7.975 1.00 0.00 C ATOM 937 CE LYS A 59 115.754 14.701 -7.847 1.00 0.00 C ATOM 938 NZ LYS A 59 115.845 15.099 -6.413 1.00 0.00 N ATOM 0 H LYS A 59 116.207 11.236 -6.896 1.00 0.00 H new ATOM 0 HA LYS A 59 113.951 9.585 -7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 59 112.745 11.908 -7.059 1.00 0.00 H new ATOM 0 HB3 LYS A 59 113.591 11.144 -5.729 1.00 0.00 H new ATOM 0 HG2 LYS A 59 114.131 13.608 -6.019 1.00 0.00 H new ATOM 0 HG3 LYS A 59 115.539 12.563 -6.028 1.00 0.00 H new ATOM 0 HD2 LYS A 59 115.660 12.631 -8.484 1.00 0.00 H new ATOM 0 HD3 LYS A 59 114.127 13.474 -8.586 1.00 0.00 H new ATOM 0 HE2 LYS A 59 116.753 14.623 -8.275 1.00 0.00 H new ATOM 0 HE3 LYS A 59 115.224 15.467 -8.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 116.280 16.041 -6.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 114.891 15.125 -5.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 116.427 14.409 -5.897 1.00 0.00 H new ATOM 952 N ILE A 60 112.712 11.354 -9.290 1.00 0.00 N ATOM 953 CA ILE A 60 112.226 11.726 -10.645 1.00 0.00 C ATOM 954 C ILE A 60 111.049 12.691 -10.499 1.00 0.00 C ATOM 955 O ILE A 60 110.378 12.708 -9.487 1.00 0.00 O ATOM 956 CB ILE A 60 111.757 10.461 -11.380 1.00 0.00 C ATOM 957 CG1 ILE A 60 111.383 9.384 -10.350 1.00 0.00 C ATOM 958 CG2 ILE A 60 112.874 9.932 -12.286 1.00 0.00 C ATOM 959 CD1 ILE A 60 110.432 8.363 -10.980 1.00 0.00 C ATOM 0 H ILE A 60 112.021 11.450 -8.546 1.00 0.00 H new ATOM 0 HA ILE A 60 113.028 12.200 -11.211 1.00 0.00 H new ATOM 0 HB ILE A 60 110.889 10.706 -11.992 1.00 0.00 H new ATOM 0 HG12 ILE A 60 112.283 8.883 -9.993 1.00 0.00 H new ATOM 0 HG13 ILE A 60 110.911 9.847 -9.483 1.00 0.00 H new ATOM 0 HG21 ILE A 60 112.530 9.035 -12.802 1.00 0.00 H new ATOM 0 HG22 ILE A 60 113.139 10.694 -13.020 1.00 0.00 H new ATOM 0 HG23 ILE A 60 113.749 9.690 -11.682 1.00 0.00 H new ATOM 0 HD11 ILE A 60 110.173 7.604 -10.242 1.00 0.00 H new ATOM 0 HD12 ILE A 60 109.526 8.868 -11.315 1.00 0.00 H new ATOM 0 HD13 ILE A 60 110.919 7.889 -11.832 1.00 0.00 H new ATOM 971 N ALA A 61 110.782 13.486 -11.499 1.00 0.00 N ATOM 972 CA ALA A 61 109.634 14.430 -11.402 1.00 0.00 C ATOM 973 C ALA A 61 108.353 13.619 -11.227 1.00 0.00 C ATOM 974 O ALA A 61 107.553 13.498 -12.134 1.00 0.00 O ATOM 975 CB ALA A 61 109.538 15.267 -12.679 1.00 0.00 C ATOM 0 H ALA A 61 111.306 13.523 -12.374 1.00 0.00 H new ATOM 0 HA ALA A 61 109.776 15.098 -10.553 1.00 0.00 H new ATOM 0 HB1 ALA A 61 108.696 15.955 -12.601 1.00 0.00 H new ATOM 0 HB2 ALA A 61 110.459 15.834 -12.812 1.00 0.00 H new ATOM 0 HB3 ALA A 61 109.390 14.609 -13.535 1.00 0.00 H new ATOM 981 N CYS A 62 108.162 13.051 -10.068 1.00 0.00 N ATOM 982 CA CYS A 62 106.945 12.228 -9.820 1.00 0.00 C ATOM 983 C CYS A 62 105.723 12.898 -10.458 1.00 0.00 C ATOM 984 O CYS A 62 105.199 12.434 -11.451 1.00 0.00 O ATOM 985 CB CYS A 62 106.738 12.084 -8.309 1.00 0.00 C ATOM 986 SG CYS A 62 106.122 10.421 -7.942 1.00 0.00 S ATOM 0 H CYS A 62 108.802 13.122 -9.277 1.00 0.00 H new ATOM 0 HA CYS A 62 107.072 11.241 -10.265 1.00 0.00 H new ATOM 0 HB2 CYS A 62 107.677 12.260 -7.784 1.00 0.00 H new ATOM 0 HB3 CYS A 62 106.029 12.833 -7.955 1.00 0.00 H new ATOM 991 N LYS A 63 105.270 13.987 -9.903 1.00 0.00 N ATOM 992 CA LYS A 63 104.089 14.680 -10.488 1.00 0.00 C ATOM 993 C LYS A 63 104.530 15.455 -11.729 1.00 0.00 C ATOM 994 O LYS A 63 104.091 15.198 -12.832 1.00 0.00 O ATOM 995 CB LYS A 63 103.509 15.655 -9.458 1.00 0.00 C ATOM 996 CG LYS A 63 102.683 14.887 -8.410 1.00 0.00 C ATOM 997 CD LYS A 63 101.185 15.108 -8.651 1.00 0.00 C ATOM 998 CE LYS A 63 100.766 14.441 -9.962 1.00 0.00 C ATOM 999 NZ LYS A 63 101.162 13.004 -9.939 1.00 0.00 N ATOM 0 H LYS A 63 105.665 14.426 -9.072 1.00 0.00 H new ATOM 0 HA LYS A 63 103.329 13.948 -10.761 1.00 0.00 H new ATOM 0 HB2 LYS A 63 104.315 16.201 -8.968 1.00 0.00 H new ATOM 0 HB3 LYS A 63 102.882 16.393 -9.957 1.00 0.00 H new ATOM 0 HG2 LYS A 63 102.914 13.823 -8.463 1.00 0.00 H new ATOM 0 HG3 LYS A 63 102.951 15.222 -7.408 1.00 0.00 H new ATOM 0 HD2 LYS A 63 100.609 14.695 -7.822 1.00 0.00 H new ATOM 0 HD3 LYS A 63 100.967 16.175 -8.690 1.00 0.00 H new ATOM 0 HE2 LYS A 63 99.688 14.530 -10.099 1.00 0.00 H new ATOM 0 HE3 LYS A 63 101.237 14.945 -10.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 101.951 12.851 -10.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 101.459 12.741 -8.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 100.353 12.416 -10.224 1.00 0.00 H new ATOM 1013 N ASN A 64 105.402 16.399 -11.543 1.00 0.00 N ATOM 1014 CA ASN A 64 105.905 17.211 -12.683 1.00 0.00 C ATOM 1015 C ASN A 64 107.160 17.935 -12.212 1.00 0.00 C ATOM 1016 O ASN A 64 107.563 18.944 -12.754 1.00 0.00 O ATOM 1017 CB ASN A 64 104.844 18.233 -13.097 1.00 0.00 C ATOM 1018 CG ASN A 64 103.777 17.547 -13.952 1.00 0.00 C ATOM 1019 OD1 ASN A 64 102.691 17.271 -13.482 1.00 0.00 O ATOM 1020 ND2 ASN A 64 104.041 17.258 -15.196 1.00 0.00 N ATOM 0 H ASN A 64 105.795 16.648 -10.635 1.00 0.00 H new ATOM 0 HA ASN A 64 106.126 16.575 -13.540 1.00 0.00 H new ATOM 0 HB2 ASN A 64 104.386 18.676 -12.212 1.00 0.00 H new ATOM 0 HB3 ASN A 64 105.306 19.046 -13.657 1.00 0.00 H new ATOM 0 HD21 ASN A 64 103.336 16.801 -15.774 1.00 0.00 H new ATOM 0 HD22 ASN A 64 104.952 17.490 -15.591 1.00 0.00 H new ATOM 1027 N GLY A 65 107.766 17.415 -11.184 1.00 0.00 N ATOM 1028 CA GLY A 65 108.992 18.041 -10.624 1.00 0.00 C ATOM 1029 C GLY A 65 109.054 17.734 -9.128 1.00 0.00 C ATOM 1030 O GLY A 65 109.957 18.155 -8.433 1.00 0.00 O ATOM 0 H GLY A 65 107.459 16.570 -10.702 1.00 0.00 H new ATOM 0 HA2 GLY A 65 109.878 17.654 -11.127 1.00 0.00 H new ATOM 0 HA3 GLY A 65 108.976 19.118 -10.789 1.00 0.00 H new ATOM 1034 N ASP A 66 108.095 16.998 -8.626 1.00 0.00 N ATOM 1035 CA ASP A 66 108.098 16.662 -7.174 1.00 0.00 C ATOM 1036 C ASP A 66 109.470 16.110 -6.788 1.00 0.00 C ATOM 1037 O ASP A 66 109.989 16.398 -5.728 1.00 0.00 O ATOM 1038 CB ASP A 66 107.026 15.606 -6.890 1.00 0.00 C ATOM 1039 CG ASP A 66 105.662 16.285 -6.744 1.00 0.00 C ATOM 1040 OD1 ASP A 66 105.494 17.357 -7.301 1.00 0.00 O ATOM 1041 OD2 ASP A 66 104.811 15.721 -6.076 1.00 0.00 O ATOM 0 H ASP A 66 107.313 16.617 -9.159 1.00 0.00 H new ATOM 0 HA ASP A 66 107.886 17.558 -6.592 1.00 0.00 H new ATOM 0 HB2 ASP A 66 106.996 14.877 -7.700 1.00 0.00 H new ATOM 0 HB3 ASP A 66 107.271 15.060 -5.979 1.00 0.00 H new ATOM 1046 N LYS A 67 110.061 15.317 -7.639 1.00 0.00 N ATOM 1047 CA LYS A 67 111.398 14.749 -7.316 1.00 0.00 C ATOM 1048 C LYS A 67 111.347 14.100 -5.930 1.00 0.00 C ATOM 1049 O LYS A 67 112.183 14.348 -5.085 1.00 0.00 O ATOM 1050 CB LYS A 67 112.436 15.874 -7.322 1.00 0.00 C ATOM 1051 CG LYS A 67 112.571 16.435 -8.739 1.00 0.00 C ATOM 1052 CD LYS A 67 113.347 17.752 -8.696 1.00 0.00 C ATOM 1053 CE LYS A 67 113.624 18.229 -10.123 1.00 0.00 C ATOM 1054 NZ LYS A 67 114.078 19.648 -10.093 1.00 0.00 N ATOM 0 H LYS A 67 109.676 15.039 -8.542 1.00 0.00 H new ATOM 0 HA LYS A 67 111.673 13.998 -8.057 1.00 0.00 H new ATOM 0 HB2 LYS A 67 112.136 16.664 -6.634 1.00 0.00 H new ATOM 0 HB3 LYS A 67 113.398 15.497 -6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 67 113.087 15.718 -9.378 1.00 0.00 H new ATOM 0 HG3 LYS A 67 111.584 16.596 -9.173 1.00 0.00 H new ATOM 0 HD2 LYS A 67 112.775 18.505 -8.154 1.00 0.00 H new ATOM 0 HD3 LYS A 67 114.285 17.616 -8.158 1.00 0.00 H new ATOM 0 HE2 LYS A 67 114.386 17.602 -10.586 1.00 0.00 H new ATOM 0 HE3 LYS A 67 112.723 18.137 -10.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 114.266 19.973 -11.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 113.337 20.241 -9.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 114.948 19.722 -9.528 1.00 0.00 H new ATOM 1068 N ASN A 68 110.360 13.276 -5.692 1.00 0.00 N ATOM 1069 CA ASN A 68 110.236 12.607 -4.361 1.00 0.00 C ATOM 1070 C ASN A 68 110.040 11.098 -4.547 1.00 0.00 C ATOM 1071 O ASN A 68 109.918 10.360 -3.579 1.00 0.00 O ATOM 1072 CB ASN A 68 109.031 13.185 -3.615 1.00 0.00 C ATOM 1073 CG ASN A 68 108.911 12.517 -2.244 1.00 0.00 C ATOM 1074 OD1 ASN A 68 109.889 12.054 -1.693 1.00 0.00 O ATOM 1075 ND2 ASN A 68 107.743 12.447 -1.666 1.00 0.00 N ATOM 0 H ASN A 68 109.631 13.036 -6.364 1.00 0.00 H new ATOM 0 HA ASN A 68 111.146 12.781 -3.787 1.00 0.00 H new ATOM 0 HB2 ASN A 68 109.145 14.263 -3.497 1.00 0.00 H new ATOM 0 HB3 ASN A 68 108.120 13.022 -4.192 1.00 0.00 H new ATOM 0 HD21 ASN A 68 107.652 12.004 -0.752 1.00 0.00 H new ATOM 0 HD22 ASN A 68 106.921 12.836 -2.128 1.00 0.00 H new ATOM 1082 N CYS A 69 110.002 10.635 -5.780 1.00 0.00 N ATOM 1083 CA CYS A 69 109.807 9.183 -6.041 1.00 0.00 C ATOM 1084 C CYS A 69 111.088 8.612 -6.645 1.00 0.00 C ATOM 1085 O CYS A 69 111.803 9.289 -7.351 1.00 0.00 O ATOM 1086 CB CYS A 69 108.638 9.007 -7.008 1.00 0.00 C ATOM 1087 SG CYS A 69 107.186 9.847 -6.325 1.00 0.00 S ATOM 0 H CYS A 69 110.099 11.212 -6.616 1.00 0.00 H new ATOM 0 HA CYS A 69 109.585 8.654 -5.114 1.00 0.00 H new ATOM 0 HB2 CYS A 69 108.890 9.422 -7.984 1.00 0.00 H new ATOM 0 HB3 CYS A 69 108.427 7.948 -7.156 1.00 0.00 H new ATOM 1092 N HIS A 70 111.382 7.371 -6.369 1.00 0.00 N ATOM 1093 CA HIS A 70 112.625 6.754 -6.921 1.00 0.00 C ATOM 1094 C HIS A 70 112.368 5.270 -7.136 1.00 0.00 C ATOM 1095 O HIS A 70 111.662 4.641 -6.372 1.00 0.00 O ATOM 1096 CB HIS A 70 113.808 6.916 -5.948 1.00 0.00 C ATOM 1097 CG HIS A 70 113.568 8.044 -4.984 1.00 0.00 C ATOM 1098 ND1 HIS A 70 114.557 8.965 -4.667 1.00 0.00 N ATOM 1099 CD2 HIS A 70 112.476 8.395 -4.235 1.00 0.00 C ATOM 1100 CE1 HIS A 70 114.042 9.817 -3.761 1.00 0.00 C ATOM 1101 NE2 HIS A 70 112.779 9.512 -3.467 1.00 0.00 N ATOM 0 H HIS A 70 110.816 6.756 -5.785 1.00 0.00 H new ATOM 0 HA HIS A 70 112.879 7.252 -7.857 1.00 0.00 H new ATOM 0 HB2 HIS A 70 113.958 5.988 -5.396 1.00 0.00 H new ATOM 0 HB3 HIS A 70 114.722 7.103 -6.511 1.00 0.00 H new ATOM 0 HD1 HIS A 70 115.502 8.991 -5.051 1.00 0.00 H new ATOM 0 HD2 HIS A 70 111.526 7.882 -4.241 1.00 0.00 H new ATOM 0 HE1 HIS A 70 114.585 10.644 -3.327 1.00 0.00 H new ATOM 1110 N GLN A 71 112.923 4.707 -8.169 1.00 0.00 N ATOM 1111 CA GLN A 71 112.688 3.262 -8.432 1.00 0.00 C ATOM 1112 C GLN A 71 113.860 2.422 -7.930 1.00 0.00 C ATOM 1113 O GLN A 71 115.008 2.809 -8.005 1.00 0.00 O ATOM 1114 CB GLN A 71 112.448 3.043 -9.937 1.00 0.00 C ATOM 1115 CG GLN A 71 113.612 2.282 -10.582 1.00 0.00 C ATOM 1116 CD GLN A 71 113.472 2.334 -12.104 1.00 0.00 C ATOM 1117 OE1 GLN A 71 113.568 1.322 -12.769 1.00 0.00 O ATOM 1118 NE2 GLN A 71 113.247 3.480 -12.688 1.00 0.00 N ATOM 0 H GLN A 71 113.527 5.181 -8.840 1.00 0.00 H new ATOM 0 HA GLN A 71 111.800 2.940 -7.888 1.00 0.00 H new ATOM 0 HB2 GLN A 71 111.522 2.487 -10.083 1.00 0.00 H new ATOM 0 HB3 GLN A 71 112.322 4.006 -10.431 1.00 0.00 H new ATOM 0 HG2 GLN A 71 114.562 2.722 -10.278 1.00 0.00 H new ATOM 0 HG3 GLN A 71 113.617 1.247 -10.241 1.00 0.00 H new ATOM 0 HE21 GLN A 71 113.166 4.330 -12.130 1.00 0.00 H new ATOM 0 HE22 GLN A 71 113.152 3.525 -13.703 1.00 0.00 H new ATOM 1127 N SER A 72 113.552 1.267 -7.415 1.00 0.00 N ATOM 1128 CA SER A 72 114.608 0.349 -6.885 1.00 0.00 C ATOM 1129 C SER A 72 115.716 0.149 -7.923 1.00 0.00 C ATOM 1130 O SER A 72 116.663 -0.578 -7.698 1.00 0.00 O ATOM 1131 CB SER A 72 113.979 -1.004 -6.553 1.00 0.00 C ATOM 1132 OG SER A 72 114.886 -1.762 -5.762 1.00 0.00 O ATOM 0 H SER A 72 112.600 0.910 -7.336 1.00 0.00 H new ATOM 0 HA SER A 72 115.041 0.792 -5.988 1.00 0.00 H new ATOM 0 HB2 SER A 72 113.042 -0.860 -6.015 1.00 0.00 H new ATOM 0 HB3 SER A 72 113.741 -1.542 -7.470 1.00 0.00 H new ATOM 0 HG SER A 72 115.798 -1.638 -6.100 1.00 0.00 H new ATOM 1138 N HIS A 73 115.611 0.786 -9.053 1.00 0.00 N ATOM 1139 CA HIS A 73 116.661 0.633 -10.100 1.00 0.00 C ATOM 1140 C HIS A 73 116.987 -0.851 -10.288 1.00 0.00 C ATOM 1141 O HIS A 73 117.970 -1.206 -10.908 1.00 0.00 O ATOM 1142 CB HIS A 73 117.923 1.380 -9.667 1.00 0.00 C ATOM 1143 CG HIS A 73 118.856 1.513 -10.839 1.00 0.00 C ATOM 1144 ND1 HIS A 73 119.843 0.575 -11.111 1.00 0.00 N ATOM 1145 CD2 HIS A 73 118.966 2.468 -11.820 1.00 0.00 C ATOM 1146 CE1 HIS A 73 120.497 0.982 -12.215 1.00 0.00 C ATOM 1147 NE2 HIS A 73 120.001 2.129 -12.684 1.00 0.00 N ATOM 0 H HIS A 73 114.842 1.409 -9.299 1.00 0.00 H new ATOM 0 HA HIS A 73 116.297 1.045 -11.041 1.00 0.00 H new ATOM 0 HB2 HIS A 73 117.661 2.366 -9.284 1.00 0.00 H new ATOM 0 HB3 HIS A 73 118.415 0.843 -8.856 1.00 0.00 H new ATOM 0 HD1 HIS A 73 120.037 -0.269 -10.572 1.00 0.00 H new ATOM 0 HD2 HIS A 73 118.344 3.347 -11.907 1.00 0.00 H new ATOM 0 HE1 HIS A 73 121.320 0.447 -12.665 1.00 0.00 H new ATOM 1156 N GLY A 74 116.171 -1.720 -9.758 1.00 0.00 N ATOM 1157 CA GLY A 74 116.436 -3.178 -9.907 1.00 0.00 C ATOM 1158 C GLY A 74 115.185 -3.968 -9.498 1.00 0.00 C ATOM 1159 O GLY A 74 114.626 -3.739 -8.443 1.00 0.00 O ATOM 0 H GLY A 74 115.332 -1.483 -9.228 1.00 0.00 H new ATOM 0 HA2 GLY A 74 116.703 -3.407 -10.939 1.00 0.00 H new ATOM 0 HA3 GLY A 74 117.283 -3.470 -9.286 1.00 0.00 H new ATOM 1163 N PRO A 75 114.742 -4.892 -10.318 1.00 0.00 N ATOM 1164 CA PRO A 75 113.537 -5.716 -10.017 1.00 0.00 C ATOM 1165 C PRO A 75 113.496 -6.182 -8.557 1.00 0.00 C ATOM 1166 O PRO A 75 114.383 -6.872 -8.095 1.00 0.00 O ATOM 1167 CB PRO A 75 113.680 -6.913 -10.958 1.00 0.00 C ATOM 1168 CG PRO A 75 114.446 -6.397 -12.133 1.00 0.00 C ATOM 1169 CD PRO A 75 115.333 -5.256 -11.620 1.00 0.00 C ATOM 0 HA PRO A 75 112.614 -5.153 -10.159 1.00 0.00 H new ATOM 0 HB2 PRO A 75 114.208 -7.734 -10.473 1.00 0.00 H new ATOM 0 HB3 PRO A 75 112.705 -7.295 -11.260 1.00 0.00 H new ATOM 0 HG2 PRO A 75 115.052 -7.187 -12.577 1.00 0.00 H new ATOM 0 HG3 PRO A 75 113.769 -6.041 -12.909 1.00 0.00 H new ATOM 0 HD2 PRO A 75 116.369 -5.576 -11.511 1.00 0.00 H new ATOM 0 HD3 PRO A 75 115.331 -4.411 -12.308 1.00 0.00 H new ATOM 1177 N VAL A 76 112.471 -5.815 -7.828 1.00 0.00 N ATOM 1178 CA VAL A 76 112.372 -6.243 -6.402 1.00 0.00 C ATOM 1179 C VAL A 76 111.242 -7.264 -6.279 1.00 0.00 C ATOM 1180 O VAL A 76 110.199 -7.125 -6.890 1.00 0.00 O ATOM 1181 CB VAL A 76 112.064 -5.021 -5.519 1.00 0.00 C ATOM 1182 CG1 VAL A 76 111.258 -4.002 -6.317 1.00 0.00 C ATOM 1183 CG2 VAL A 76 111.267 -5.457 -4.283 1.00 0.00 C ATOM 0 H VAL A 76 111.699 -5.237 -8.161 1.00 0.00 H new ATOM 0 HA VAL A 76 113.313 -6.688 -6.077 1.00 0.00 H new ATOM 0 HB VAL A 76 113.001 -4.568 -5.197 1.00 0.00 H new ATOM 0 HG11 VAL A 76 111.041 -3.138 -5.689 1.00 0.00 H new ATOM 0 HG12 VAL A 76 111.833 -3.684 -7.187 1.00 0.00 H new ATOM 0 HG13 VAL A 76 110.323 -4.455 -6.646 1.00 0.00 H new ATOM 0 HG21 VAL A 76 111.053 -4.587 -3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 76 110.331 -5.918 -4.598 1.00 0.00 H new ATOM 0 HG23 VAL A 76 111.851 -6.177 -3.709 1.00 0.00 H new ATOM 1193 N SER A 77 111.432 -8.281 -5.487 1.00 0.00 N ATOM 1194 CA SER A 77 110.355 -9.292 -5.321 1.00 0.00 C ATOM 1195 C SER A 77 109.153 -8.610 -4.673 1.00 0.00 C ATOM 1196 O SER A 77 108.986 -8.635 -3.477 1.00 0.00 O ATOM 1197 CB SER A 77 110.849 -10.427 -4.422 1.00 0.00 C ATOM 1198 OG SER A 77 109.733 -11.165 -3.942 1.00 0.00 O ATOM 0 H SER A 77 112.282 -8.455 -4.951 1.00 0.00 H new ATOM 0 HA SER A 77 110.075 -9.706 -6.290 1.00 0.00 H new ATOM 0 HB2 SER A 77 111.520 -11.081 -4.978 1.00 0.00 H new ATOM 0 HB3 SER A 77 111.419 -10.022 -3.586 1.00 0.00 H new ATOM 0 HG SER A 77 109.222 -10.613 -3.314 1.00 0.00 H new ATOM 1204 N LEU A 78 108.322 -7.985 -5.453 1.00 0.00 N ATOM 1205 CA LEU A 78 107.140 -7.287 -4.881 1.00 0.00 C ATOM 1206 C LEU A 78 105.931 -8.220 -4.890 1.00 0.00 C ATOM 1207 O LEU A 78 106.008 -9.352 -5.326 1.00 0.00 O ATOM 1208 CB LEU A 78 106.832 -6.053 -5.720 1.00 0.00 C ATOM 1209 CG LEU A 78 106.442 -6.463 -7.143 1.00 0.00 C ATOM 1210 CD1 LEU A 78 104.980 -6.933 -7.192 1.00 0.00 C ATOM 1211 CD2 LEU A 78 106.613 -5.257 -8.061 1.00 0.00 C ATOM 0 H LEU A 78 108.410 -7.927 -6.468 1.00 0.00 H new ATOM 0 HA LEU A 78 107.357 -6.992 -3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 78 106.021 -5.486 -5.262 1.00 0.00 H new ATOM 0 HB3 LEU A 78 107.702 -5.397 -5.749 1.00 0.00 H new ATOM 0 HG LEU A 78 107.081 -7.285 -7.466 1.00 0.00 H new ATOM 0 HD11 LEU A 78 104.724 -7.219 -8.212 1.00 0.00 H new ATOM 0 HD12 LEU A 78 104.851 -7.790 -6.531 1.00 0.00 H new ATOM 0 HD13 LEU A 78 104.326 -6.123 -6.868 1.00 0.00 H new ATOM 0 HD21 LEU A 78 106.339 -5.533 -9.079 1.00 0.00 H new ATOM 0 HD22 LEU A 78 105.970 -4.446 -7.719 1.00 0.00 H new ATOM 0 HD23 LEU A 78 107.652 -4.929 -8.041 1.00 0.00 H new ATOM 1223 N THR A 79 104.812 -7.748 -4.416 1.00 0.00 N ATOM 1224 CA THR A 79 103.584 -8.590 -4.397 1.00 0.00 C ATOM 1225 C THR A 79 102.372 -7.733 -4.744 1.00 0.00 C ATOM 1226 O THR A 79 101.944 -6.903 -3.969 1.00 0.00 O ATOM 1227 CB THR A 79 103.404 -9.187 -3.003 1.00 0.00 C ATOM 1228 OG1 THR A 79 104.098 -10.423 -2.931 1.00 0.00 O ATOM 1229 CG2 THR A 79 101.923 -9.424 -2.710 1.00 0.00 C ATOM 0 H THR A 79 104.695 -6.808 -4.038 1.00 0.00 H new ATOM 0 HA THR A 79 103.680 -9.392 -5.129 1.00 0.00 H new ATOM 0 HB THR A 79 103.802 -8.489 -2.266 1.00 0.00 H new ATOM 0 HG1 THR A 79 103.644 -11.017 -2.298 1.00 0.00 H new ATOM 0 HG21 THR A 79 101.813 -9.850 -1.713 1.00 0.00 H new ATOM 0 HG22 THR A 79 101.386 -8.477 -2.762 1.00 0.00 H new ATOM 0 HG23 THR A 79 101.512 -10.115 -3.447 1.00 0.00 H new ATOM 1237 N MET A 80 101.803 -7.936 -5.893 1.00 0.00 N ATOM 1238 CA MET A 80 100.604 -7.140 -6.266 1.00 0.00 C ATOM 1239 C MET A 80 99.349 -7.870 -5.785 1.00 0.00 C ATOM 1240 O MET A 80 98.976 -8.899 -6.317 1.00 0.00 O ATOM 1241 CB MET A 80 100.538 -6.971 -7.786 1.00 0.00 C ATOM 1242 CG MET A 80 101.848 -6.362 -8.305 1.00 0.00 C ATOM 1243 SD MET A 80 101.478 -5.021 -9.467 1.00 0.00 S ATOM 1244 CE MET A 80 100.802 -6.045 -10.799 1.00 0.00 C ATOM 0 H MET A 80 102.113 -8.615 -6.589 1.00 0.00 H new ATOM 0 HA MET A 80 100.666 -6.157 -5.800 1.00 0.00 H new ATOM 0 HB2 MET A 80 100.364 -7.937 -8.260 1.00 0.00 H new ATOM 0 HB3 MET A 80 99.698 -6.329 -8.052 1.00 0.00 H new ATOM 0 HG2 MET A 80 102.439 -5.982 -7.472 1.00 0.00 H new ATOM 0 HG3 MET A 80 102.447 -7.128 -8.797 1.00 0.00 H new ATOM 0 HE1 MET A 80 101.440 -5.965 -11.679 1.00 0.00 H new ATOM 0 HE2 MET A 80 100.762 -7.085 -10.474 1.00 0.00 H new ATOM 0 HE3 MET A 80 99.797 -5.703 -11.047 1.00 0.00 H new ATOM 1254 N CYS A 81 98.693 -7.352 -4.782 1.00 0.00 N ATOM 1255 CA CYS A 81 97.461 -8.018 -4.280 1.00 0.00 C ATOM 1256 C CYS A 81 96.248 -7.402 -4.965 1.00 0.00 C ATOM 1257 O CYS A 81 96.257 -6.241 -5.319 1.00 0.00 O ATOM 1258 CB CYS A 81 97.328 -7.803 -2.775 1.00 0.00 C ATOM 1259 SG CYS A 81 98.925 -8.062 -1.974 1.00 0.00 S ATOM 0 H CYS A 81 98.958 -6.498 -4.291 1.00 0.00 H new ATOM 0 HA CYS A 81 97.521 -9.085 -4.494 1.00 0.00 H new ATOM 0 HB2 CYS A 81 96.970 -6.794 -2.573 1.00 0.00 H new ATOM 0 HB3 CYS A 81 96.589 -8.491 -2.364 1.00 0.00 H new ATOM 1264 N LYS A 82 95.201 -8.160 -5.153 1.00 0.00 N ATOM 1265 CA LYS A 82 93.999 -7.603 -5.808 1.00 0.00 C ATOM 1266 C LYS A 82 92.758 -8.069 -5.045 1.00 0.00 C ATOM 1267 O LYS A 82 92.770 -9.096 -4.396 1.00 0.00 O ATOM 1268 CB LYS A 82 93.944 -8.081 -7.264 1.00 0.00 C ATOM 1269 CG LYS A 82 93.026 -9.297 -7.370 1.00 0.00 C ATOM 1270 CD LYS A 82 93.227 -9.980 -8.725 1.00 0.00 C ATOM 1271 CE LYS A 82 93.043 -8.959 -9.850 1.00 0.00 C ATOM 1272 NZ LYS A 82 94.293 -8.163 -10.009 1.00 0.00 N ATOM 0 H LYS A 82 95.133 -9.140 -4.879 1.00 0.00 H new ATOM 0 HA LYS A 82 94.036 -6.514 -5.800 1.00 0.00 H new ATOM 0 HB2 LYS A 82 93.579 -7.280 -7.907 1.00 0.00 H new ATOM 0 HB3 LYS A 82 94.945 -8.337 -7.611 1.00 0.00 H new ATOM 0 HG2 LYS A 82 93.241 -9.998 -6.563 1.00 0.00 H new ATOM 0 HG3 LYS A 82 91.986 -8.990 -7.257 1.00 0.00 H new ATOM 0 HD2 LYS A 82 94.224 -10.418 -8.778 1.00 0.00 H new ATOM 0 HD3 LYS A 82 92.514 -10.796 -8.841 1.00 0.00 H new ATOM 0 HE2 LYS A 82 92.803 -9.469 -10.783 1.00 0.00 H new ATOM 0 HE3 LYS A 82 92.206 -8.299 -9.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 94.148 -7.208 -9.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 95.069 -8.629 -9.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 94.535 -8.095 -11.018 1.00 0.00 H new ATOM 1286 N LEU A 83 91.686 -7.334 -5.118 1.00 0.00 N ATOM 1287 CA LEU A 83 90.460 -7.762 -4.394 1.00 0.00 C ATOM 1288 C LEU A 83 89.823 -8.917 -5.148 1.00 0.00 C ATOM 1289 O LEU A 83 89.279 -8.758 -6.222 1.00 0.00 O ATOM 1290 CB LEU A 83 89.464 -6.602 -4.279 1.00 0.00 C ATOM 1291 CG LEU A 83 88.126 -7.105 -3.708 1.00 0.00 C ATOM 1292 CD1 LEU A 83 88.377 -8.042 -2.530 1.00 0.00 C ATOM 1293 CD2 LEU A 83 87.299 -5.918 -3.208 1.00 0.00 C ATOM 0 H LEU A 83 91.605 -6.463 -5.643 1.00 0.00 H new ATOM 0 HA LEU A 83 90.731 -8.077 -3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 83 89.873 -5.824 -3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 83 89.304 -6.152 -5.259 1.00 0.00 H new ATOM 0 HG LEU A 83 87.591 -7.634 -4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 83 87.424 -8.392 -2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 83 88.967 -8.896 -2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 83 88.920 -7.508 -1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 83 86.353 -6.278 -2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 83 87.850 -5.394 -2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 83 87.104 -5.236 -4.036 1.00 0.00 H new ATOM 1305 N THR A 84 89.892 -10.082 -4.584 1.00 0.00 N ATOM 1306 CA THR A 84 89.298 -11.267 -5.251 1.00 0.00 C ATOM 1307 C THR A 84 87.778 -11.110 -5.284 1.00 0.00 C ATOM 1308 O THR A 84 87.163 -11.270 -6.319 1.00 0.00 O ATOM 1309 CB THR A 84 89.684 -12.541 -4.493 1.00 0.00 C ATOM 1310 OG1 THR A 84 89.014 -12.571 -3.243 1.00 0.00 O ATOM 1311 CG2 THR A 84 91.204 -12.574 -4.267 1.00 0.00 C ATOM 0 H THR A 84 90.336 -10.268 -3.685 1.00 0.00 H new ATOM 0 HA THR A 84 89.676 -11.344 -6.270 1.00 0.00 H new ATOM 0 HB THR A 84 89.392 -13.411 -5.081 1.00 0.00 H new ATOM 0 HG1 THR A 84 89.101 -11.699 -2.804 1.00 0.00 H new ATOM 0 HG21 THR A 84 91.472 -13.482 -3.727 1.00 0.00 H new ATOM 0 HG22 THR A 84 91.715 -12.559 -5.229 1.00 0.00 H new ATOM 0 HG23 THR A 84 91.504 -11.704 -3.683 1.00 0.00 H new ATOM 1319 N SER A 85 87.159 -10.780 -4.173 1.00 0.00 N ATOM 1320 CA SER A 85 85.667 -10.602 -4.196 1.00 0.00 C ATOM 1321 C SER A 85 85.080 -10.628 -2.778 1.00 0.00 C ATOM 1322 O SER A 85 85.655 -11.177 -1.860 1.00 0.00 O ATOM 1323 CB SER A 85 85.027 -11.728 -5.020 1.00 0.00 C ATOM 1324 OG SER A 85 85.873 -12.870 -4.989 1.00 0.00 O ATOM 0 H SER A 85 87.608 -10.629 -3.270 1.00 0.00 H new ATOM 0 HA SER A 85 85.451 -9.632 -4.645 1.00 0.00 H new ATOM 0 HB2 SER A 85 84.045 -11.977 -4.617 1.00 0.00 H new ATOM 0 HB3 SER A 85 84.875 -11.401 -6.049 1.00 0.00 H new ATOM 0 HG SER A 85 86.385 -12.920 -5.823 1.00 0.00 H new ATOM 1330 N GLY A 86 83.919 -10.041 -2.608 1.00 0.00 N ATOM 1331 CA GLY A 86 83.257 -10.025 -1.274 1.00 0.00 C ATOM 1332 C GLY A 86 82.515 -8.699 -1.098 1.00 0.00 C ATOM 1333 O GLY A 86 81.308 -8.668 -1.033 1.00 0.00 O ATOM 0 H GLY A 86 83.400 -9.568 -3.348 1.00 0.00 H new ATOM 0 HA2 GLY A 86 82.561 -10.859 -1.190 1.00 0.00 H new ATOM 0 HA3 GLY A 86 83.999 -10.148 -0.485 1.00 0.00 H new ATOM 1337 N LYS A 87 83.253 -7.617 -1.026 1.00 0.00 N ATOM 1338 CA LYS A 87 82.670 -6.245 -0.857 1.00 0.00 C ATOM 1339 C LYS A 87 83.665 -5.407 -0.054 1.00 0.00 C ATOM 1340 O LYS A 87 84.820 -5.300 -0.411 1.00 0.00 O ATOM 1341 CB LYS A 87 81.330 -6.309 -0.112 1.00 0.00 C ATOM 1342 CG LYS A 87 80.193 -6.540 -1.113 1.00 0.00 C ATOM 1343 CD LYS A 87 79.386 -5.249 -1.314 1.00 0.00 C ATOM 1344 CE LYS A 87 78.384 -5.083 -0.169 1.00 0.00 C ATOM 1345 NZ LYS A 87 77.459 -6.252 -0.145 1.00 0.00 N ATOM 0 H LYS A 87 84.272 -7.629 -1.079 1.00 0.00 H new ATOM 0 HA LYS A 87 82.489 -5.800 -1.836 1.00 0.00 H new ATOM 0 HB2 LYS A 87 81.350 -7.114 0.623 1.00 0.00 H new ATOM 0 HB3 LYS A 87 81.163 -5.381 0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 87 80.602 -6.873 -2.067 1.00 0.00 H new ATOM 0 HG3 LYS A 87 79.538 -7.333 -0.753 1.00 0.00 H new ATOM 0 HD2 LYS A 87 80.057 -4.391 -1.350 1.00 0.00 H new ATOM 0 HD3 LYS A 87 78.860 -5.282 -2.268 1.00 0.00 H new ATOM 0 HE2 LYS A 87 78.912 -5.003 0.782 1.00 0.00 H new ATOM 0 HE3 LYS A 87 77.818 -4.160 -0.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 76.524 -5.948 0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 77.368 -6.642 -1.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 77.839 -6.982 0.491 1.00 0.00 H new ATOM 1359 N TYR A 88 83.241 -4.828 1.036 1.00 0.00 N ATOM 1360 CA TYR A 88 84.184 -4.025 1.865 1.00 0.00 C ATOM 1361 C TYR A 88 84.405 -4.733 3.209 1.00 0.00 C ATOM 1362 O TYR A 88 85.518 -4.818 3.690 1.00 0.00 O ATOM 1363 CB TYR A 88 83.644 -2.605 2.095 1.00 0.00 C ATOM 1364 CG TYR A 88 84.056 -2.147 3.473 1.00 0.00 C ATOM 1365 CD1 TYR A 88 85.394 -2.265 3.877 1.00 0.00 C ATOM 1366 CD2 TYR A 88 83.100 -1.648 4.357 1.00 0.00 C ATOM 1367 CE1 TYR A 88 85.768 -1.887 5.169 1.00 0.00 C ATOM 1368 CE2 TYR A 88 83.475 -1.260 5.648 1.00 0.00 C ATOM 1369 CZ TYR A 88 84.809 -1.384 6.056 1.00 0.00 C ATOM 1370 OH TYR A 88 85.176 -1.014 7.334 1.00 0.00 O ATOM 0 H TYR A 88 82.285 -4.876 1.388 1.00 0.00 H new ATOM 0 HA TYR A 88 85.133 -3.939 1.335 1.00 0.00 H new ATOM 0 HB2 TYR A 88 84.035 -1.925 1.338 1.00 0.00 H new ATOM 0 HB3 TYR A 88 82.558 -2.594 2.002 1.00 0.00 H new ATOM 0 HD1 TYR A 88 86.134 -2.648 3.190 1.00 0.00 H new ATOM 0 HD2 TYR A 88 82.070 -1.561 4.045 1.00 0.00 H new ATOM 0 HE1 TYR A 88 86.797 -1.983 5.483 1.00 0.00 H new ATOM 0 HE2 TYR A 88 82.736 -0.865 6.330 1.00 0.00 H new ATOM 0 HH TYR A 88 86.153 -0.969 7.394 1.00 0.00 H new ATOM 1380 N PRO A 89 83.365 -5.236 3.820 1.00 0.00 N ATOM 1381 CA PRO A 89 83.475 -5.933 5.120 1.00 0.00 C ATOM 1382 C PRO A 89 83.714 -7.436 4.937 1.00 0.00 C ATOM 1383 O PRO A 89 83.925 -8.162 5.888 1.00 0.00 O ATOM 1384 CB PRO A 89 82.112 -5.669 5.754 1.00 0.00 C ATOM 1385 CG PRO A 89 81.154 -5.593 4.602 1.00 0.00 C ATOM 1386 CD PRO A 89 81.970 -5.208 3.355 1.00 0.00 C ATOM 0 HA PRO A 89 84.314 -5.585 5.723 1.00 0.00 H new ATOM 0 HB2 PRO A 89 81.837 -6.467 6.444 1.00 0.00 H new ATOM 0 HB3 PRO A 89 82.116 -4.741 6.325 1.00 0.00 H new ATOM 0 HG2 PRO A 89 80.654 -6.550 4.454 1.00 0.00 H new ATOM 0 HG3 PRO A 89 80.377 -4.854 4.796 1.00 0.00 H new ATOM 0 HD2 PRO A 89 81.807 -5.912 2.539 1.00 0.00 H new ATOM 0 HD3 PRO A 89 81.692 -4.221 2.985 1.00 0.00 H new ATOM 1394 N ASN A 90 83.674 -7.905 3.715 1.00 0.00 N ATOM 1395 CA ASN A 90 83.891 -9.360 3.457 1.00 0.00 C ATOM 1396 C ASN A 90 84.751 -9.536 2.202 1.00 0.00 C ATOM 1397 O ASN A 90 84.671 -10.538 1.524 1.00 0.00 O ATOM 1398 CB ASN A 90 82.533 -10.034 3.233 1.00 0.00 C ATOM 1399 CG ASN A 90 82.619 -11.512 3.619 1.00 0.00 C ATOM 1400 OD1 ASN A 90 82.808 -11.841 4.773 1.00 0.00 O ATOM 1401 ND2 ASN A 90 82.486 -12.424 2.695 1.00 0.00 N ATOM 0 H ASN A 90 83.500 -7.341 2.883 1.00 0.00 H new ATOM 0 HA ASN A 90 84.397 -9.812 4.310 1.00 0.00 H new ATOM 0 HB2 ASN A 90 81.767 -9.537 3.829 1.00 0.00 H new ATOM 0 HB3 ASN A 90 82.237 -9.938 2.188 1.00 0.00 H new ATOM 0 HD21 ASN A 90 82.541 -13.412 2.942 1.00 0.00 H new ATOM 0 HD22 ASN A 90 82.327 -12.149 1.726 1.00 0.00 H new ATOM 1408 N CYS A 91 85.562 -8.565 1.886 1.00 0.00 N ATOM 1409 CA CYS A 91 86.414 -8.660 0.669 1.00 0.00 C ATOM 1410 C CYS A 91 87.667 -9.483 0.964 1.00 0.00 C ATOM 1411 O CYS A 91 88.406 -9.204 1.884 1.00 0.00 O ATOM 1412 CB CYS A 91 86.816 -7.243 0.248 1.00 0.00 C ATOM 1413 SG CYS A 91 86.447 -6.095 1.593 1.00 0.00 S ATOM 0 H CYS A 91 85.671 -7.704 2.422 1.00 0.00 H new ATOM 0 HA CYS A 91 85.859 -9.150 -0.131 1.00 0.00 H new ATOM 0 HB2 CYS A 91 87.879 -7.210 0.007 1.00 0.00 H new ATOM 0 HB3 CYS A 91 86.276 -6.952 -0.653 1.00 0.00 H new ATOM 1418 N ARG A 92 87.918 -10.485 0.163 1.00 0.00 N ATOM 1419 CA ARG A 92 89.133 -11.326 0.355 1.00 0.00 C ATOM 1420 C ARG A 92 90.094 -11.018 -0.790 1.00 0.00 C ATOM 1421 O ARG A 92 89.676 -10.857 -1.928 1.00 0.00 O ATOM 1422 CB ARG A 92 88.753 -12.813 0.332 1.00 0.00 C ATOM 1423 CG ARG A 92 87.612 -13.047 -0.669 1.00 0.00 C ATOM 1424 CD ARG A 92 86.266 -13.012 0.061 1.00 0.00 C ATOM 1425 NE ARG A 92 86.237 -14.080 1.100 1.00 0.00 N ATOM 1426 CZ ARG A 92 85.098 -14.468 1.604 1.00 0.00 C ATOM 1427 NH1 ARG A 92 83.984 -13.922 1.198 1.00 0.00 N ATOM 1428 NH2 ARG A 92 85.072 -15.403 2.514 1.00 0.00 N ATOM 0 H ARG A 92 87.327 -10.758 -0.622 1.00 0.00 H new ATOM 0 HA ARG A 92 89.599 -11.108 1.316 1.00 0.00 H new ATOM 0 HB2 ARG A 92 89.619 -13.414 0.056 1.00 0.00 H new ATOM 0 HB3 ARG A 92 88.446 -13.134 1.327 1.00 0.00 H new ATOM 0 HG2 ARG A 92 87.635 -12.283 -1.446 1.00 0.00 H new ATOM 0 HG3 ARG A 92 87.742 -14.009 -1.165 1.00 0.00 H new ATOM 0 HD2 ARG A 92 86.116 -12.036 0.523 1.00 0.00 H new ATOM 0 HD3 ARG A 92 85.451 -13.158 -0.648 1.00 0.00 H new ATOM 0 HE ARG A 92 87.107 -14.507 1.417 1.00 0.00 H new ATOM 0 HH11 ARG A 92 84.004 -13.192 0.486 1.00 0.00 H new ATOM 0 HH12 ARG A 92 83.094 -14.226 1.592 1.00 0.00 H new ATOM 0 HH21 ARG A 92 85.942 -15.830 2.831 1.00 0.00 H new ATOM 0 HH22 ARG A 92 84.182 -15.706 2.908 1.00 0.00 H new ATOM 1442 N TYR A 93 91.368 -10.901 -0.502 1.00 0.00 N ATOM 1443 CA TYR A 93 92.348 -10.568 -1.569 1.00 0.00 C ATOM 1444 C TYR A 93 93.286 -11.739 -1.827 1.00 0.00 C ATOM 1445 O TYR A 93 93.423 -12.643 -1.028 1.00 0.00 O ATOM 1446 CB TYR A 93 93.175 -9.364 -1.129 1.00 0.00 C ATOM 1447 CG TYR A 93 92.255 -8.193 -0.917 1.00 0.00 C ATOM 1448 CD1 TYR A 93 91.351 -8.199 0.151 1.00 0.00 C ATOM 1449 CD2 TYR A 93 92.300 -7.105 -1.792 1.00 0.00 C ATOM 1450 CE1 TYR A 93 90.494 -7.115 0.346 1.00 0.00 C ATOM 1451 CE2 TYR A 93 91.442 -6.023 -1.599 1.00 0.00 C ATOM 1452 CZ TYR A 93 90.541 -6.026 -0.531 1.00 0.00 C ATOM 1453 OH TYR A 93 89.707 -4.952 -0.341 1.00 0.00 O ATOM 0 H TYR A 93 91.767 -11.023 0.429 1.00 0.00 H new ATOM 0 HA TYR A 93 91.802 -10.345 -2.485 1.00 0.00 H new ATOM 0 HB2 TYR A 93 93.713 -9.592 -0.209 1.00 0.00 H new ATOM 0 HB3 TYR A 93 93.923 -9.124 -1.885 1.00 0.00 H new ATOM 0 HD1 TYR A 93 91.316 -9.043 0.824 1.00 0.00 H new ATOM 0 HD2 TYR A 93 92.998 -7.102 -2.616 1.00 0.00 H new ATOM 0 HE1 TYR A 93 89.797 -7.117 1.171 1.00 0.00 H new ATOM 0 HE2 TYR A 93 91.474 -5.182 -2.276 1.00 0.00 H new ATOM 0 HH TYR A 93 89.151 -5.106 0.451 1.00 0.00 H new ATOM 1463 N LYS A 94 93.952 -11.696 -2.940 1.00 0.00 N ATOM 1464 CA LYS A 94 94.922 -12.758 -3.299 1.00 0.00 C ATOM 1465 C LYS A 94 96.281 -12.090 -3.456 1.00 0.00 C ATOM 1466 O LYS A 94 96.390 -11.019 -4.027 1.00 0.00 O ATOM 1467 CB LYS A 94 94.508 -13.417 -4.621 1.00 0.00 C ATOM 1468 CG LYS A 94 93.756 -14.720 -4.330 1.00 0.00 C ATOM 1469 CD LYS A 94 94.749 -15.800 -3.866 1.00 0.00 C ATOM 1470 CE LYS A 94 94.888 -16.878 -4.945 1.00 0.00 C ATOM 1471 NZ LYS A 94 95.284 -16.242 -6.233 1.00 0.00 N ATOM 0 H LYS A 94 93.862 -10.952 -3.632 1.00 0.00 H new ATOM 0 HA LYS A 94 94.956 -13.530 -2.530 1.00 0.00 H new ATOM 0 HB2 LYS A 94 93.875 -12.740 -5.194 1.00 0.00 H new ATOM 0 HB3 LYS A 94 95.389 -13.621 -5.229 1.00 0.00 H new ATOM 0 HG2 LYS A 94 93.002 -14.552 -3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 94 93.231 -15.055 -5.224 1.00 0.00 H new ATOM 0 HD2 LYS A 94 95.720 -15.350 -3.662 1.00 0.00 H new ATOM 0 HD3 LYS A 94 94.403 -16.248 -2.934 1.00 0.00 H new ATOM 0 HE2 LYS A 94 95.635 -17.614 -4.645 1.00 0.00 H new ATOM 0 HE3 LYS A 94 93.945 -17.411 -5.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 95.733 -16.951 -6.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 94.440 -15.859 -6.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 95.956 -15.471 -6.047 1.00 0.00 H new ATOM 1485 N GLU A 95 97.311 -12.694 -2.942 1.00 0.00 N ATOM 1486 CA GLU A 95 98.657 -12.077 -3.047 1.00 0.00 C ATOM 1487 C GLU A 95 99.362 -12.600 -4.302 1.00 0.00 C ATOM 1488 O GLU A 95 99.537 -13.788 -4.482 1.00 0.00 O ATOM 1489 CB GLU A 95 99.461 -12.421 -1.781 1.00 0.00 C ATOM 1490 CG GLU A 95 100.304 -13.677 -2.009 1.00 0.00 C ATOM 1491 CD GLU A 95 100.901 -14.141 -0.679 1.00 0.00 C ATOM 1492 OE1 GLU A 95 101.733 -13.427 -0.144 1.00 0.00 O ATOM 1493 OE2 GLU A 95 100.515 -15.202 -0.218 1.00 0.00 O ATOM 0 H GLU A 95 97.279 -13.589 -2.453 1.00 0.00 H new ATOM 0 HA GLU A 95 98.573 -10.993 -3.129 1.00 0.00 H new ATOM 0 HB2 GLU A 95 100.108 -11.585 -1.515 1.00 0.00 H new ATOM 0 HB3 GLU A 95 98.782 -12.578 -0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 95 99.689 -14.467 -2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 95 101.100 -13.468 -2.724 1.00 0.00 H new ATOM 1500 N LYS A 96 99.772 -11.717 -5.170 1.00 0.00 N ATOM 1501 CA LYS A 96 100.474 -12.159 -6.408 1.00 0.00 C ATOM 1502 C LYS A 96 101.943 -11.757 -6.304 1.00 0.00 C ATOM 1503 O LYS A 96 102.284 -10.598 -6.394 1.00 0.00 O ATOM 1504 CB LYS A 96 99.842 -11.473 -7.621 1.00 0.00 C ATOM 1505 CG LYS A 96 100.286 -12.184 -8.901 1.00 0.00 C ATOM 1506 CD LYS A 96 99.603 -11.538 -10.108 1.00 0.00 C ATOM 1507 CE LYS A 96 99.882 -12.371 -11.360 1.00 0.00 C ATOM 1508 NZ LYS A 96 99.102 -11.824 -12.505 1.00 0.00 N ATOM 0 H LYS A 96 99.651 -10.709 -5.076 1.00 0.00 H new ATOM 0 HA LYS A 96 100.390 -13.240 -6.522 1.00 0.00 H new ATOM 0 HB2 LYS A 96 98.755 -11.495 -7.539 1.00 0.00 H new ATOM 0 HB3 LYS A 96 100.138 -10.424 -7.654 1.00 0.00 H new ATOM 0 HG2 LYS A 96 101.369 -12.122 -9.007 1.00 0.00 H new ATOM 0 HG3 LYS A 96 100.031 -13.242 -8.849 1.00 0.00 H new ATOM 0 HD2 LYS A 96 98.529 -11.468 -9.937 1.00 0.00 H new ATOM 0 HD3 LYS A 96 99.970 -10.521 -10.246 1.00 0.00 H new ATOM 0 HE2 LYS A 96 100.947 -12.354 -11.591 1.00 0.00 H new ATOM 0 HE3 LYS A 96 99.610 -13.412 -11.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 99.292 -12.390 -13.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 98.087 -11.862 -12.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 99.382 -10.837 -12.676 1.00 0.00 H new ATOM 1522 N ARG A 97 102.815 -12.703 -6.109 1.00 0.00 N ATOM 1523 CA ARG A 97 104.261 -12.364 -5.988 1.00 0.00 C ATOM 1524 C ARG A 97 104.849 -12.049 -7.363 1.00 0.00 C ATOM 1525 O ARG A 97 105.027 -12.924 -8.187 1.00 0.00 O ATOM 1526 CB ARG A 97 105.016 -13.547 -5.375 1.00 0.00 C ATOM 1527 CG ARG A 97 106.525 -13.364 -5.593 1.00 0.00 C ATOM 1528 CD ARG A 97 107.298 -14.150 -4.533 1.00 0.00 C ATOM 1529 NE ARG A 97 108.701 -14.356 -4.992 1.00 0.00 N ATOM 1530 CZ ARG A 97 109.445 -15.267 -4.428 1.00 0.00 C ATOM 1531 NH1 ARG A 97 108.961 -15.998 -3.461 1.00 0.00 N ATOM 1532 NH2 ARG A 97 110.673 -15.448 -4.830 1.00 0.00 N ATOM 0 H ARG A 97 102.592 -13.695 -6.028 1.00 0.00 H new ATOM 0 HA ARG A 97 104.363 -11.488 -5.347 1.00 0.00 H new ATOM 0 HB2 ARG A 97 104.798 -13.617 -4.309 1.00 0.00 H new ATOM 0 HB3 ARG A 97 104.683 -14.479 -5.831 1.00 0.00 H new ATOM 0 HG2 ARG A 97 106.803 -13.708 -6.589 1.00 0.00 H new ATOM 0 HG3 ARG A 97 106.785 -12.307 -5.537 1.00 0.00 H new ATOM 0 HD2 ARG A 97 107.289 -13.610 -3.586 1.00 0.00 H new ATOM 0 HD3 ARG A 97 106.817 -15.112 -4.356 1.00 0.00 H new ATOM 0 HE ARG A 97 109.079 -13.784 -5.747 1.00 0.00 H new ATOM 0 HH11 ARG A 97 108.001 -15.857 -3.146 1.00 0.00 H new ATOM 0 HH12 ARG A 97 109.543 -16.710 -3.020 1.00 0.00 H new ATOM 0 HH21 ARG A 97 111.052 -14.877 -5.586 1.00 0.00 H new ATOM 0 HH22 ARG A 97 111.254 -16.160 -4.389 1.00 0.00 H new ATOM 1546 N GLN A 98 105.177 -10.807 -7.604 1.00 0.00 N ATOM 1547 CA GLN A 98 105.785 -10.429 -8.913 1.00 0.00 C ATOM 1548 C GLN A 98 107.172 -9.835 -8.645 1.00 0.00 C ATOM 1549 O GLN A 98 107.507 -9.523 -7.524 1.00 0.00 O ATOM 1550 CB GLN A 98 104.891 -9.394 -9.616 1.00 0.00 C ATOM 1551 CG GLN A 98 104.233 -10.028 -10.846 1.00 0.00 C ATOM 1552 CD GLN A 98 103.250 -9.035 -11.468 1.00 0.00 C ATOM 1553 OE1 GLN A 98 103.105 -7.927 -10.992 1.00 0.00 O ATOM 1554 NE2 GLN A 98 102.564 -9.387 -12.521 1.00 0.00 N ATOM 0 H GLN A 98 105.049 -10.036 -6.948 1.00 0.00 H new ATOM 0 HA GLN A 98 105.876 -11.303 -9.557 1.00 0.00 H new ATOM 0 HB2 GLN A 98 104.126 -9.033 -8.928 1.00 0.00 H new ATOM 0 HB3 GLN A 98 105.485 -8.530 -9.914 1.00 0.00 H new ATOM 0 HG2 GLN A 98 104.994 -10.308 -11.575 1.00 0.00 H new ATOM 0 HG3 GLN A 98 103.712 -10.942 -10.562 1.00 0.00 H new ATOM 0 HE21 GLN A 98 102.685 -10.317 -12.921 1.00 0.00 H new ATOM 0 HE22 GLN A 98 101.907 -8.732 -12.944 1.00 0.00 H new ATOM 1563 N ASN A 99 107.978 -9.676 -9.659 1.00 0.00 N ATOM 1564 CA ASN A 99 109.342 -9.094 -9.457 1.00 0.00 C ATOM 1565 C ASN A 99 109.542 -7.970 -10.460 1.00 0.00 C ATOM 1566 O ASN A 99 109.696 -8.199 -11.643 1.00 0.00 O ATOM 1567 CB ASN A 99 110.401 -10.176 -9.681 1.00 0.00 C ATOM 1568 CG ASN A 99 110.183 -11.318 -8.686 1.00 0.00 C ATOM 1569 OD1 ASN A 99 109.146 -11.952 -8.690 1.00 0.00 O ATOM 1570 ND2 ASN A 99 111.122 -11.609 -7.829 1.00 0.00 N ATOM 0 H ASN A 99 107.753 -9.924 -10.623 1.00 0.00 H new ATOM 0 HA ASN A 99 109.437 -8.710 -8.441 1.00 0.00 H new ATOM 0 HB2 ASN A 99 110.341 -10.553 -10.702 1.00 0.00 H new ATOM 0 HB3 ASN A 99 111.399 -9.755 -9.555 1.00 0.00 H new ATOM 0 HD21 ASN A 99 110.986 -12.369 -7.162 1.00 0.00 H new ATOM 0 HD22 ASN A 99 111.992 -11.077 -7.826 1.00 0.00 H new ATOM 1577 N LYS A 100 109.540 -6.754 -9.997 1.00 0.00 N ATOM 1578 CA LYS A 100 109.720 -5.604 -10.922 1.00 0.00 C ATOM 1579 C LYS A 100 110.257 -4.414 -10.134 1.00 0.00 C ATOM 1580 O LYS A 100 110.064 -4.311 -8.940 1.00 0.00 O ATOM 1581 CB LYS A 100 108.371 -5.227 -11.559 1.00 0.00 C ATOM 1582 CG LYS A 100 107.450 -6.451 -11.635 1.00 0.00 C ATOM 1583 CD LYS A 100 106.090 -6.034 -12.197 1.00 0.00 C ATOM 1584 CE LYS A 100 105.401 -7.244 -12.835 1.00 0.00 C ATOM 1585 NZ LYS A 100 105.961 -7.473 -14.196 1.00 0.00 N ATOM 0 H LYS A 100 109.421 -6.506 -9.015 1.00 0.00 H new ATOM 0 HA LYS A 100 110.422 -5.878 -11.710 1.00 0.00 H new ATOM 0 HB2 LYS A 100 107.893 -4.441 -10.974 1.00 0.00 H new ATOM 0 HB3 LYS A 100 108.534 -4.825 -12.559 1.00 0.00 H new ATOM 0 HG2 LYS A 100 107.897 -7.217 -12.268 1.00 0.00 H new ATOM 0 HG3 LYS A 100 107.327 -6.889 -10.644 1.00 0.00 H new ATOM 0 HD2 LYS A 100 105.467 -5.626 -11.401 1.00 0.00 H new ATOM 0 HD3 LYS A 100 106.218 -5.244 -12.937 1.00 0.00 H new ATOM 0 HE2 LYS A 100 105.549 -8.129 -12.216 1.00 0.00 H new ATOM 0 HE3 LYS A 100 104.326 -7.074 -12.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 105.384 -8.180 -14.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 105.952 -6.580 -14.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 106.939 -7.818 -14.116 1.00 0.00 H new ATOM 1599 N SER A 101 110.918 -3.507 -10.793 1.00 0.00 N ATOM 1600 CA SER A 101 111.452 -2.318 -10.079 1.00 0.00 C ATOM 1601 C SER A 101 110.323 -1.305 -9.949 1.00 0.00 C ATOM 1602 O SER A 101 109.812 -0.810 -10.930 1.00 0.00 O ATOM 1603 CB SER A 101 112.604 -1.714 -10.879 1.00 0.00 C ATOM 1604 OG SER A 101 113.439 -2.757 -11.362 1.00 0.00 O ATOM 0 H SER A 101 111.111 -3.538 -11.794 1.00 0.00 H new ATOM 0 HA SER A 101 111.824 -2.598 -9.093 1.00 0.00 H new ATOM 0 HB2 SER A 101 112.215 -1.129 -11.712 1.00 0.00 H new ATOM 0 HB3 SER A 101 113.179 -1.033 -10.252 1.00 0.00 H new ATOM 0 HG SER A 101 114.178 -2.372 -11.877 1.00 0.00 H new ATOM 1610 N TYR A 102 109.908 -1.009 -8.750 1.00 0.00 N ATOM 1611 CA TYR A 102 108.785 -0.052 -8.571 1.00 0.00 C ATOM 1612 C TYR A 102 109.325 1.303 -8.188 1.00 0.00 C ATOM 1613 O TYR A 102 110.514 1.526 -8.181 1.00 0.00 O ATOM 1614 CB TYR A 102 107.902 -0.539 -7.430 1.00 0.00 C ATOM 1615 CG TYR A 102 108.781 -0.905 -6.251 1.00 0.00 C ATOM 1616 CD1 TYR A 102 109.607 0.056 -5.641 1.00 0.00 C ATOM 1617 CD2 TYR A 102 108.768 -2.210 -5.765 1.00 0.00 C ATOM 1618 CE1 TYR A 102 110.412 -0.302 -4.554 1.00 0.00 C ATOM 1619 CE2 TYR A 102 109.567 -2.562 -4.676 1.00 0.00 C ATOM 1620 CZ TYR A 102 110.393 -1.611 -4.073 1.00 0.00 C ATOM 1621 OH TYR A 102 111.183 -1.965 -2.999 1.00 0.00 O ATOM 0 H TYR A 102 110.298 -1.389 -7.887 1.00 0.00 H new ATOM 0 HA TYR A 102 108.222 0.017 -9.502 1.00 0.00 H new ATOM 0 HB2 TYR A 102 107.193 0.238 -7.144 1.00 0.00 H new ATOM 0 HB3 TYR A 102 107.318 -1.403 -7.747 1.00 0.00 H new ATOM 0 HD1 TYR A 102 109.620 1.070 -6.012 1.00 0.00 H new ATOM 0 HD2 TYR A 102 108.138 -2.952 -6.232 1.00 0.00 H new ATOM 0 HE1 TYR A 102 111.048 0.435 -4.087 1.00 0.00 H new ATOM 0 HE2 TYR A 102 109.546 -3.574 -4.298 1.00 0.00 H new ATOM 0 HH TYR A 102 112.106 -1.678 -3.163 1.00 0.00 H new ATOM 1631 N VAL A 103 108.452 2.201 -7.832 1.00 0.00 N ATOM 1632 CA VAL A 103 108.908 3.543 -7.404 1.00 0.00 C ATOM 1633 C VAL A 103 108.166 3.936 -6.147 1.00 0.00 C ATOM 1634 O VAL A 103 106.968 4.125 -6.150 1.00 0.00 O ATOM 1635 CB VAL A 103 108.635 4.568 -8.492 1.00 0.00 C ATOM 1636 CG1 VAL A 103 109.691 5.675 -8.430 1.00 0.00 C ATOM 1637 CG2 VAL A 103 108.694 3.876 -9.836 1.00 0.00 C ATOM 0 H VAL A 103 107.442 2.060 -7.820 1.00 0.00 H new ATOM 0 HA VAL A 103 109.981 3.512 -7.214 1.00 0.00 H new ATOM 0 HB VAL A 103 107.650 5.012 -8.349 1.00 0.00 H new ATOM 0 HG11 VAL A 103 109.494 6.410 -9.211 1.00 0.00 H new ATOM 0 HG12 VAL A 103 109.651 6.162 -7.455 1.00 0.00 H new ATOM 0 HG13 VAL A 103 110.680 5.243 -8.579 1.00 0.00 H new ATOM 0 HG21 VAL A 103 108.500 4.600 -10.627 1.00 0.00 H new ATOM 0 HG22 VAL A 103 109.683 3.440 -9.978 1.00 0.00 H new ATOM 0 HG23 VAL A 103 107.942 3.088 -9.873 1.00 0.00 H new ATOM 1647 N VAL A 104 108.874 4.066 -5.073 1.00 0.00 N ATOM 1648 CA VAL A 104 108.221 4.463 -3.801 1.00 0.00 C ATOM 1649 C VAL A 104 108.722 5.859 -3.424 1.00 0.00 C ATOM 1650 O VAL A 104 109.847 6.221 -3.713 1.00 0.00 O ATOM 1651 CB VAL A 104 108.530 3.422 -2.701 1.00 0.00 C ATOM 1652 CG1 VAL A 104 109.428 2.319 -3.265 1.00 0.00 C ATOM 1653 CG2 VAL A 104 109.220 4.084 -1.502 1.00 0.00 C ATOM 0 H VAL A 104 109.881 3.915 -5.017 1.00 0.00 H new ATOM 0 HA VAL A 104 107.137 4.495 -3.914 1.00 0.00 H new ATOM 0 HB VAL A 104 107.588 2.989 -2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 104 109.642 1.589 -2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 104 108.921 1.826 -4.094 1.00 0.00 H new ATOM 0 HG13 VAL A 104 110.362 2.756 -3.619 1.00 0.00 H new ATOM 0 HG21 VAL A 104 109.428 3.332 -0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 104 110.156 4.540 -1.827 1.00 0.00 H new ATOM 0 HG23 VAL A 104 108.568 4.852 -1.085 1.00 0.00 H new ATOM 1663 N ALA A 105 107.897 6.653 -2.793 1.00 0.00 N ATOM 1664 CA ALA A 105 108.332 8.021 -2.414 1.00 0.00 C ATOM 1665 C ALA A 105 108.853 7.986 -0.987 1.00 0.00 C ATOM 1666 O ALA A 105 108.672 7.012 -0.285 1.00 0.00 O ATOM 1667 CB ALA A 105 107.150 8.982 -2.524 1.00 0.00 C ATOM 0 H ALA A 105 106.943 6.410 -2.526 1.00 0.00 H new ATOM 0 HA ALA A 105 109.122 8.365 -3.082 1.00 0.00 H new ATOM 0 HB1 ALA A 105 107.470 9.986 -2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 105 106.782 8.990 -3.550 1.00 0.00 H new ATOM 0 HB3 ALA A 105 106.353 8.657 -1.855 1.00 0.00 H new ATOM 1673 N CYS A 106 109.528 9.016 -0.555 1.00 0.00 N ATOM 1674 CA CYS A 106 110.079 8.988 0.837 1.00 0.00 C ATOM 1675 C CYS A 106 109.700 10.245 1.617 1.00 0.00 C ATOM 1676 O CYS A 106 109.382 11.275 1.057 1.00 0.00 O ATOM 1677 CB CYS A 106 111.602 8.870 0.777 1.00 0.00 C ATOM 1678 SG CYS A 106 112.144 9.004 -0.937 1.00 0.00 S ATOM 0 H CYS A 106 109.721 9.862 -1.091 1.00 0.00 H new ATOM 0 HA CYS A 106 109.651 8.128 1.352 1.00 0.00 H new ATOM 0 HB2 CYS A 106 112.063 9.654 1.378 1.00 0.00 H new ATOM 0 HB3 CYS A 106 111.921 7.916 1.198 1.00 0.00 H new ATOM 1683 N LYS A 107 109.748 10.155 2.922 1.00 0.00 N ATOM 1684 CA LYS A 107 109.410 11.328 3.776 1.00 0.00 C ATOM 1685 C LYS A 107 110.223 11.268 5.073 1.00 0.00 C ATOM 1686 O LYS A 107 110.714 10.220 5.466 1.00 0.00 O ATOM 1687 CB LYS A 107 107.913 11.299 4.111 1.00 0.00 C ATOM 1688 CG LYS A 107 107.144 12.104 3.063 1.00 0.00 C ATOM 1689 CD LYS A 107 105.645 12.085 3.388 1.00 0.00 C ATOM 1690 CE LYS A 107 105.311 13.219 4.362 1.00 0.00 C ATOM 1691 NZ LYS A 107 105.672 14.526 3.744 1.00 0.00 N ATOM 0 H LYS A 107 110.009 9.312 3.434 1.00 0.00 H new ATOM 0 HA LYS A 107 109.647 12.248 3.241 1.00 0.00 H new ATOM 0 HB2 LYS A 107 107.553 10.270 4.132 1.00 0.00 H new ATOM 0 HB3 LYS A 107 107.743 11.716 5.103 1.00 0.00 H new ATOM 0 HG2 LYS A 107 107.508 13.131 3.042 1.00 0.00 H new ATOM 0 HG3 LYS A 107 107.316 11.685 2.072 1.00 0.00 H new ATOM 0 HD2 LYS A 107 105.064 12.196 2.473 1.00 0.00 H new ATOM 0 HD3 LYS A 107 105.370 11.125 3.825 1.00 0.00 H new ATOM 0 HE2 LYS A 107 104.249 13.201 4.607 1.00 0.00 H new ATOM 0 HE3 LYS A 107 105.856 13.083 5.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 104.986 15.250 4.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 106.625 14.805 4.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 105.658 14.436 2.708 1.00 0.00 H new ATOM 1705 N PRO A 108 110.354 12.388 5.739 1.00 0.00 N ATOM 1706 CA PRO A 108 111.102 12.472 7.023 1.00 0.00 C ATOM 1707 C PRO A 108 110.397 11.676 8.135 1.00 0.00 C ATOM 1708 O PRO A 108 109.202 11.794 8.320 1.00 0.00 O ATOM 1709 CB PRO A 108 111.111 13.971 7.354 1.00 0.00 C ATOM 1710 CG PRO A 108 109.969 14.554 6.590 1.00 0.00 C ATOM 1711 CD PRO A 108 109.811 13.697 5.336 1.00 0.00 C ATOM 0 HA PRO A 108 112.104 12.050 6.944 1.00 0.00 H new ATOM 0 HB2 PRO A 108 110.993 14.137 8.425 1.00 0.00 H new ATOM 0 HB3 PRO A 108 112.055 14.432 7.062 1.00 0.00 H new ATOM 0 HG2 PRO A 108 109.056 14.543 7.186 1.00 0.00 H new ATOM 0 HG3 PRO A 108 110.166 15.594 6.328 1.00 0.00 H new ATOM 0 HD2 PRO A 108 108.767 13.621 5.031 1.00 0.00 H new ATOM 0 HD3 PRO A 108 110.360 14.116 4.493 1.00 0.00 H new ATOM 1719 N PRO A 109 111.127 10.876 8.869 1.00 0.00 N ATOM 1720 CA PRO A 109 110.552 10.059 9.971 1.00 0.00 C ATOM 1721 C PRO A 109 109.647 10.899 10.882 1.00 0.00 C ATOM 1722 O PRO A 109 110.115 11.684 11.682 1.00 0.00 O ATOM 1723 CB PRO A 109 111.779 9.554 10.740 1.00 0.00 C ATOM 1724 CG PRO A 109 112.931 9.636 9.792 1.00 0.00 C ATOM 1725 CD PRO A 109 112.573 10.671 8.726 1.00 0.00 C ATOM 0 HA PRO A 109 109.923 9.251 9.598 1.00 0.00 H new ATOM 0 HB2 PRO A 109 111.960 10.163 11.626 1.00 0.00 H new ATOM 0 HB3 PRO A 109 111.629 8.530 11.082 1.00 0.00 H new ATOM 0 HG2 PRO A 109 113.841 9.926 10.318 1.00 0.00 H new ATOM 0 HG3 PRO A 109 113.122 8.665 9.335 1.00 0.00 H new ATOM 0 HD2 PRO A 109 113.121 11.601 8.879 1.00 0.00 H new ATOM 0 HD3 PRO A 109 112.824 10.313 7.728 1.00 0.00 H new ATOM 1733 N GLN A 110 108.355 10.744 10.762 1.00 0.00 N ATOM 1734 CA GLN A 110 107.425 11.539 11.617 1.00 0.00 C ATOM 1735 C GLN A 110 107.905 11.482 13.067 1.00 0.00 C ATOM 1736 O GLN A 110 108.661 12.320 13.517 1.00 0.00 O ATOM 1737 CB GLN A 110 106.011 10.952 11.529 1.00 0.00 C ATOM 1738 CG GLN A 110 105.600 10.789 10.064 1.00 0.00 C ATOM 1739 CD GLN A 110 105.102 12.128 9.516 1.00 0.00 C ATOM 1740 OE1 GLN A 110 105.684 12.678 8.602 1.00 0.00 O ATOM 1741 NE2 GLN A 110 104.041 12.680 10.039 1.00 0.00 N ATOM 0 H GLN A 110 107.904 10.102 10.110 1.00 0.00 H new ATOM 0 HA GLN A 110 107.409 12.573 11.271 1.00 0.00 H new ATOM 0 HB2 GLN A 110 105.978 9.987 12.034 1.00 0.00 H new ATOM 0 HB3 GLN A 110 105.305 11.605 12.042 1.00 0.00 H new ATOM 0 HG2 GLN A 110 106.447 10.437 9.476 1.00 0.00 H new ATOM 0 HG3 GLN A 110 104.817 10.036 9.978 1.00 0.00 H new ATOM 0 HE21 GLN A 110 103.552 12.219 10.806 1.00 0.00 H new ATOM 0 HE22 GLN A 110 103.701 13.572 9.680 1.00 0.00 H new ATOM 1750 N LYS A 111 107.478 10.488 13.793 1.00 0.00 N ATOM 1751 CA LYS A 111 107.907 10.346 15.211 1.00 0.00 C ATOM 1752 C LYS A 111 108.213 8.876 15.476 1.00 0.00 C ATOM 1753 O LYS A 111 109.119 8.542 16.214 1.00 0.00 O ATOM 1754 CB LYS A 111 106.785 10.814 16.144 1.00 0.00 C ATOM 1755 CG LYS A 111 105.418 10.451 15.545 1.00 0.00 C ATOM 1756 CD LYS A 111 104.862 11.639 14.748 1.00 0.00 C ATOM 1757 CE LYS A 111 104.142 12.606 15.694 1.00 0.00 C ATOM 1758 NZ LYS A 111 103.026 11.894 16.378 1.00 0.00 N ATOM 0 H LYS A 111 106.844 9.761 13.461 1.00 0.00 H new ATOM 0 HA LYS A 111 108.792 10.954 15.395 1.00 0.00 H new ATOM 0 HB2 LYS A 111 106.897 10.349 17.123 1.00 0.00 H new ATOM 0 HB3 LYS A 111 106.851 11.892 16.294 1.00 0.00 H new ATOM 0 HG2 LYS A 111 105.516 9.581 14.896 1.00 0.00 H new ATOM 0 HG3 LYS A 111 104.724 10.179 16.340 1.00 0.00 H new ATOM 0 HD2 LYS A 111 105.673 12.155 14.233 1.00 0.00 H new ATOM 0 HD3 LYS A 111 104.173 11.284 13.982 1.00 0.00 H new ATOM 0 HE2 LYS A 111 104.842 12.999 16.431 1.00 0.00 H new ATOM 0 HE3 LYS A 111 103.755 13.458 15.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 102.174 12.491 16.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 102.830 11.000 15.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 103.294 11.693 17.363 1.00 0.00 H new ATOM 1772 N LYS A 112 107.471 7.990 14.869 1.00 0.00 N ATOM 1773 CA LYS A 112 107.730 6.546 15.080 1.00 0.00 C ATOM 1774 C LYS A 112 109.172 6.248 14.665 1.00 0.00 C ATOM 1775 O LYS A 112 109.868 5.502 15.322 1.00 0.00 O ATOM 1776 CB LYS A 112 106.744 5.726 14.230 1.00 0.00 C ATOM 1777 CG LYS A 112 106.249 4.512 15.020 1.00 0.00 C ATOM 1778 CD LYS A 112 107.309 3.407 14.991 1.00 0.00 C ATOM 1779 CE LYS A 112 107.016 2.387 16.094 1.00 0.00 C ATOM 1780 NZ LYS A 112 105.541 2.235 16.250 1.00 0.00 N ATOM 0 H LYS A 112 106.699 8.207 14.238 1.00 0.00 H new ATOM 0 HA LYS A 112 107.592 6.279 16.128 1.00 0.00 H new ATOM 0 HB2 LYS A 112 105.898 6.349 13.938 1.00 0.00 H new ATOM 0 HB3 LYS A 112 107.230 5.398 13.311 1.00 0.00 H new ATOM 0 HG2 LYS A 112 106.037 4.799 16.050 1.00 0.00 H new ATOM 0 HG3 LYS A 112 105.316 4.145 14.593 1.00 0.00 H new ATOM 0 HD2 LYS A 112 107.310 2.916 14.018 1.00 0.00 H new ATOM 0 HD3 LYS A 112 108.301 3.836 15.133 1.00 0.00 H new ATOM 0 HE2 LYS A 112 107.467 1.426 15.845 1.00 0.00 H new ATOM 0 HE3 LYS A 112 107.460 2.714 17.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 105.336 1.360 16.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 105.162 3.049 16.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 105.096 2.189 15.311 1.00 0.00 H new ATOM 1794 N ASP A 113 109.625 6.847 13.587 1.00 0.00 N ATOM 1795 CA ASP A 113 111.033 6.628 13.114 1.00 0.00 C ATOM 1796 C ASP A 113 111.572 5.286 13.617 1.00 0.00 C ATOM 1797 O ASP A 113 111.982 5.158 14.754 1.00 0.00 O ATOM 1798 CB ASP A 113 111.922 7.755 13.642 1.00 0.00 C ATOM 1799 CG ASP A 113 113.330 7.612 13.062 1.00 0.00 C ATOM 1800 OD1 ASP A 113 113.438 7.288 11.891 1.00 0.00 O ATOM 1801 OD2 ASP A 113 114.277 7.827 13.801 1.00 0.00 O ATOM 0 H ASP A 113 109.075 7.483 13.010 1.00 0.00 H new ATOM 0 HA ASP A 113 111.038 6.621 12.024 1.00 0.00 H new ATOM 0 HB2 ASP A 113 111.501 8.722 13.368 1.00 0.00 H new ATOM 0 HB3 ASP A 113 111.961 7.721 14.731 1.00 0.00 H new ATOM 1806 N SER A 114 111.577 4.283 12.785 1.00 0.00 N ATOM 1807 CA SER A 114 112.085 2.959 13.235 1.00 0.00 C ATOM 1808 C SER A 114 113.534 3.086 13.707 1.00 0.00 C ATOM 1809 O SER A 114 114.033 2.240 14.422 1.00 0.00 O ATOM 1810 CB SER A 114 111.987 1.941 12.094 1.00 0.00 C ATOM 1811 OG SER A 114 113.161 1.139 12.075 1.00 0.00 O ATOM 0 H SER A 114 111.253 4.322 11.819 1.00 0.00 H new ATOM 0 HA SER A 114 111.474 2.611 14.068 1.00 0.00 H new ATOM 0 HB2 SER A 114 111.106 1.313 12.227 1.00 0.00 H new ATOM 0 HB3 SER A 114 111.870 2.457 11.141 1.00 0.00 H new ATOM 0 HG SER A 114 113.035 0.389 11.457 1.00 0.00 H new ATOM 1817 N GLN A 115 114.215 4.133 13.333 1.00 0.00 N ATOM 1818 CA GLN A 115 115.623 4.286 13.793 1.00 0.00 C ATOM 1819 C GLN A 115 116.150 5.681 13.451 1.00 0.00 C ATOM 1820 O GLN A 115 116.634 6.384 14.313 1.00 0.00 O ATOM 1821 CB GLN A 115 116.511 3.223 13.132 1.00 0.00 C ATOM 1822 CG GLN A 115 116.027 2.950 11.709 1.00 0.00 C ATOM 1823 CD GLN A 115 117.010 2.009 11.008 1.00 0.00 C ATOM 1824 OE1 GLN A 115 116.852 1.706 9.842 1.00 0.00 O ATOM 1825 NE2 GLN A 115 118.025 1.532 11.675 1.00 0.00 N ATOM 0 H GLN A 115 113.863 4.881 12.736 1.00 0.00 H new ATOM 0 HA GLN A 115 115.648 4.155 14.875 1.00 0.00 H new ATOM 0 HB2 GLN A 115 117.547 3.562 13.114 1.00 0.00 H new ATOM 0 HB3 GLN A 115 116.487 2.303 13.716 1.00 0.00 H new ATOM 0 HG2 GLN A 115 115.033 2.504 11.731 1.00 0.00 H new ATOM 0 HG3 GLN A 115 115.945 3.885 11.156 1.00 0.00 H new ATOM 0 HE21 GLN A 115 118.157 1.787 12.654 1.00 0.00 H new ATOM 0 HE22 GLN A 115 118.686 0.904 11.218 1.00 0.00 H new ATOM 1834 N GLN A 116 116.075 6.085 12.207 1.00 0.00 N ATOM 1835 CA GLN A 116 116.602 7.443 11.831 1.00 0.00 C ATOM 1836 C GLN A 116 116.790 7.560 10.311 1.00 0.00 C ATOM 1837 O GLN A 116 117.619 8.318 9.847 1.00 0.00 O ATOM 1838 CB GLN A 116 117.972 7.651 12.483 1.00 0.00 C ATOM 1839 CG GLN A 116 118.829 6.396 12.261 1.00 0.00 C ATOM 1840 CD GLN A 116 120.312 6.763 12.350 1.00 0.00 C ATOM 1841 OE1 GLN A 116 120.665 7.782 12.909 1.00 0.00 O ATOM 1842 NE2 GLN A 116 121.201 5.968 11.819 1.00 0.00 N ATOM 0 H GLN A 116 115.677 5.543 11.440 1.00 0.00 H new ATOM 0 HA GLN A 116 115.882 8.188 12.170 1.00 0.00 H new ATOM 0 HB2 GLN A 116 118.464 8.524 12.054 1.00 0.00 H new ATOM 0 HB3 GLN A 116 117.856 7.843 13.550 1.00 0.00 H new ATOM 0 HG2 GLN A 116 118.586 5.641 13.008 1.00 0.00 H new ATOM 0 HG3 GLN A 116 118.610 5.962 11.286 1.00 0.00 H new ATOM 0 HE21 GLN A 116 120.904 5.112 11.350 1.00 0.00 H new ATOM 0 HE22 GLN A 116 122.192 6.202 11.874 1.00 0.00 H new ATOM 1851 N PHE A 117 116.058 6.817 9.533 1.00 0.00 N ATOM 1852 CA PHE A 117 116.234 6.893 8.047 1.00 0.00 C ATOM 1853 C PHE A 117 116.412 8.344 7.588 1.00 0.00 C ATOM 1854 O PHE A 117 117.466 8.711 7.113 1.00 0.00 O ATOM 1855 CB PHE A 117 115.015 6.291 7.359 1.00 0.00 C ATOM 1856 CG PHE A 117 114.642 5.029 8.082 1.00 0.00 C ATOM 1857 CD1 PHE A 117 113.996 5.105 9.317 1.00 0.00 C ATOM 1858 CD2 PHE A 117 114.965 3.786 7.533 1.00 0.00 C ATOM 1859 CE1 PHE A 117 113.670 3.939 10.004 1.00 0.00 C ATOM 1860 CE2 PHE A 117 114.636 2.616 8.218 1.00 0.00 C ATOM 1861 CZ PHE A 117 113.988 2.690 9.454 1.00 0.00 C ATOM 0 H PHE A 117 115.346 6.161 9.854 1.00 0.00 H new ATOM 0 HA PHE A 117 117.130 6.333 7.778 1.00 0.00 H new ATOM 0 HB2 PHE A 117 114.184 6.996 7.373 1.00 0.00 H new ATOM 0 HB3 PHE A 117 115.236 6.078 6.313 1.00 0.00 H new ATOM 0 HD1 PHE A 117 113.749 6.068 9.739 1.00 0.00 H new ATOM 0 HD2 PHE A 117 115.469 3.731 6.579 1.00 0.00 H new ATOM 0 HE1 PHE A 117 113.172 3.997 10.961 1.00 0.00 H new ATOM 0 HE2 PHE A 117 114.882 1.654 7.793 1.00 0.00 H new ATOM 0 HZ PHE A 117 113.732 1.785 9.985 1.00 0.00 H new ATOM 1871 N HIS A 118 115.381 9.153 7.693 1.00 0.00 N ATOM 1872 CA HIS A 118 115.468 10.583 7.230 1.00 0.00 C ATOM 1873 C HIS A 118 114.902 10.648 5.815 1.00 0.00 C ATOM 1874 O HIS A 118 115.145 11.574 5.068 1.00 0.00 O ATOM 1875 CB HIS A 118 116.921 11.083 7.230 1.00 0.00 C ATOM 1876 CG HIS A 118 116.933 12.588 7.257 1.00 0.00 C ATOM 1877 ND1 HIS A 118 117.123 13.347 6.111 1.00 0.00 N ATOM 1878 CD2 HIS A 118 116.779 13.488 8.283 1.00 0.00 C ATOM 1879 CE1 HIS A 118 117.080 14.644 6.471 1.00 0.00 C ATOM 1880 NE2 HIS A 118 116.873 14.782 7.782 1.00 0.00 N ATOM 0 H HIS A 118 114.477 8.884 8.081 1.00 0.00 H new ATOM 0 HA HIS A 118 114.902 11.220 7.909 1.00 0.00 H new ATOM 0 HB2 HIS A 118 117.453 10.689 8.096 1.00 0.00 H new ATOM 0 HB3 HIS A 118 117.442 10.720 6.344 1.00 0.00 H new ATOM 0 HD2 HIS A 118 116.611 13.231 9.318 1.00 0.00 H new ATOM 0 HE1 HIS A 118 117.198 15.469 5.784 1.00 0.00 H new ATOM 0 HE2 HIS A 118 116.799 15.654 8.307 1.00 0.00 H new ATOM 1889 N LEU A 119 114.150 9.643 5.462 1.00 0.00 N ATOM 1890 CA LEU A 119 113.533 9.554 4.101 1.00 0.00 C ATOM 1891 C LEU A 119 112.786 8.224 4.034 1.00 0.00 C ATOM 1892 O LEU A 119 112.739 7.554 3.027 1.00 0.00 O ATOM 1893 CB LEU A 119 114.637 9.637 3.016 1.00 0.00 C ATOM 1894 CG LEU A 119 115.372 8.284 2.754 1.00 0.00 C ATOM 1895 CD1 LEU A 119 115.258 7.299 3.931 1.00 0.00 C ATOM 1896 CD2 LEU A 119 114.833 7.612 1.477 1.00 0.00 C ATOM 0 H LEU A 119 113.930 8.857 6.074 1.00 0.00 H new ATOM 0 HA LEU A 119 112.843 10.378 3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 119 114.191 9.983 2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 119 115.371 10.385 3.315 1.00 0.00 H new ATOM 0 HG LEU A 119 116.426 8.532 2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 119 115.789 6.379 3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 119 115.697 7.746 4.823 1.00 0.00 H new ATOM 0 HD13 LEU A 119 114.208 7.074 4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 119 115.358 6.671 1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 119 113.766 7.418 1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 119 114.993 8.271 0.624 1.00 0.00 H new ATOM 1908 N VAL A 120 112.237 7.840 5.146 1.00 0.00 N ATOM 1909 CA VAL A 120 111.516 6.543 5.262 1.00 0.00 C ATOM 1910 C VAL A 120 110.694 6.243 3.996 1.00 0.00 C ATOM 1911 O VAL A 120 110.294 7.142 3.287 1.00 0.00 O ATOM 1912 CB VAL A 120 110.612 6.639 6.493 1.00 0.00 C ATOM 1913 CG1 VAL A 120 111.481 6.959 7.714 1.00 0.00 C ATOM 1914 CG2 VAL A 120 109.575 7.761 6.299 1.00 0.00 C ATOM 0 H VAL A 120 112.258 8.387 6.007 1.00 0.00 H new ATOM 0 HA VAL A 120 112.226 5.723 5.369 1.00 0.00 H new ATOM 0 HB VAL A 120 110.088 5.694 6.637 1.00 0.00 H new ATOM 0 HG11 VAL A 120 110.851 7.031 8.600 1.00 0.00 H new ATOM 0 HG12 VAL A 120 112.216 6.167 7.855 1.00 0.00 H new ATOM 0 HG13 VAL A 120 111.995 7.907 7.556 1.00 0.00 H new ATOM 0 HG21 VAL A 120 108.936 7.822 7.180 1.00 0.00 H new ATOM 0 HG22 VAL A 120 110.089 8.711 6.157 1.00 0.00 H new ATOM 0 HG23 VAL A 120 108.965 7.545 5.422 1.00 0.00 H new ATOM 1924 N PRO A 121 110.434 4.977 3.718 1.00 0.00 N ATOM 1925 CA PRO A 121 109.638 4.562 2.528 1.00 0.00 C ATOM 1926 C PRO A 121 108.156 4.783 2.801 1.00 0.00 C ATOM 1927 O PRO A 121 107.502 3.987 3.445 1.00 0.00 O ATOM 1928 CB PRO A 121 109.961 3.076 2.378 1.00 0.00 C ATOM 1929 CG PRO A 121 110.258 2.609 3.762 1.00 0.00 C ATOM 1930 CD PRO A 121 110.858 3.806 4.508 1.00 0.00 C ATOM 0 HA PRO A 121 109.872 5.126 1.625 1.00 0.00 H new ATOM 0 HB2 PRO A 121 109.121 2.530 1.948 1.00 0.00 H new ATOM 0 HB3 PRO A 121 110.814 2.921 1.717 1.00 0.00 H new ATOM 0 HG2 PRO A 121 109.351 2.259 4.256 1.00 0.00 H new ATOM 0 HG3 PRO A 121 110.956 1.772 3.747 1.00 0.00 H new ATOM 0 HD2 PRO A 121 110.489 3.862 5.532 1.00 0.00 H new ATOM 0 HD3 PRO A 121 111.944 3.736 4.564 1.00 0.00 H new ATOM 1938 N VAL A 122 107.645 5.895 2.374 1.00 0.00 N ATOM 1939 CA VAL A 122 106.229 6.231 2.665 1.00 0.00 C ATOM 1940 C VAL A 122 105.277 5.781 1.549 1.00 0.00 C ATOM 1941 O VAL A 122 104.586 4.796 1.682 1.00 0.00 O ATOM 1942 CB VAL A 122 106.135 7.756 2.891 1.00 0.00 C ATOM 1943 CG1 VAL A 122 107.351 8.439 2.278 1.00 0.00 C ATOM 1944 CG2 VAL A 122 104.881 8.339 2.243 1.00 0.00 C ATOM 0 H VAL A 122 108.151 6.594 1.830 1.00 0.00 H new ATOM 0 HA VAL A 122 105.915 5.693 3.559 1.00 0.00 H new ATOM 0 HB VAL A 122 106.093 7.930 3.966 1.00 0.00 H new ATOM 0 HG11 VAL A 122 107.283 9.515 2.438 1.00 0.00 H new ATOM 0 HG12 VAL A 122 108.258 8.058 2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 122 107.383 8.233 1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 122 104.846 9.414 2.421 1.00 0.00 H new ATOM 0 HG22 VAL A 122 104.904 8.149 1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 122 103.997 7.870 2.675 1.00 0.00 H new ATOM 1954 N HIS A 123 105.176 6.528 0.492 1.00 0.00 N ATOM 1955 CA HIS A 123 104.193 6.179 -0.573 1.00 0.00 C ATOM 1956 C HIS A 123 104.796 5.296 -1.656 1.00 0.00 C ATOM 1957 O HIS A 123 105.981 5.040 -1.701 1.00 0.00 O ATOM 1958 CB HIS A 123 103.686 7.473 -1.212 1.00 0.00 C ATOM 1959 CG HIS A 123 102.467 7.187 -2.047 1.00 0.00 C ATOM 1960 ND1 HIS A 123 101.200 7.071 -1.494 1.00 0.00 N ATOM 1961 CD2 HIS A 123 102.306 6.999 -3.398 1.00 0.00 C ATOM 1962 CE1 HIS A 123 100.339 6.825 -2.500 1.00 0.00 C ATOM 1963 NE2 HIS A 123 100.963 6.772 -3.677 1.00 0.00 N ATOM 0 H HIS A 123 105.730 7.366 0.315 1.00 0.00 H new ATOM 0 HA HIS A 123 103.382 5.619 -0.108 1.00 0.00 H new ATOM 0 HB2 HIS A 123 103.445 8.201 -0.438 1.00 0.00 H new ATOM 0 HB3 HIS A 123 104.467 7.913 -1.832 1.00 0.00 H new ATOM 0 HD1 HIS A 123 100.964 7.156 -0.505 1.00 0.00 H new ATOM 0 HD2 HIS A 123 103.100 7.024 -4.130 1.00 0.00 H new ATOM 0 HE1 HIS A 123 99.276 6.688 -2.370 1.00 0.00 H new ATOM 1972 N LEU A 124 103.952 4.852 -2.544 1.00 0.00 N ATOM 1973 CA LEU A 124 104.387 4.005 -3.681 1.00 0.00 C ATOM 1974 C LEU A 124 103.997 4.744 -4.961 1.00 0.00 C ATOM 1975 O LEU A 124 102.830 4.909 -5.256 1.00 0.00 O ATOM 1976 CB LEU A 124 103.672 2.654 -3.614 1.00 0.00 C ATOM 1977 CG LEU A 124 104.050 1.808 -4.850 1.00 0.00 C ATOM 1978 CD1 LEU A 124 104.695 0.487 -4.411 1.00 0.00 C ATOM 1979 CD2 LEU A 124 102.797 1.513 -5.688 1.00 0.00 C ATOM 0 H LEU A 124 102.951 5.049 -2.525 1.00 0.00 H new ATOM 0 HA LEU A 124 105.461 3.824 -3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 124 103.951 2.128 -2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 124 102.593 2.803 -3.579 1.00 0.00 H new ATOM 0 HG LEU A 124 104.763 2.371 -5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 124 104.957 -0.100 -5.291 1.00 0.00 H new ATOM 0 HD12 LEU A 124 105.595 0.696 -3.833 1.00 0.00 H new ATOM 0 HD13 LEU A 124 103.992 -0.075 -3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 124 103.073 0.916 -6.557 1.00 0.00 H new ATOM 0 HD22 LEU A 124 102.076 0.962 -5.084 1.00 0.00 H new ATOM 0 HD23 LEU A 124 102.351 2.451 -6.019 1.00 0.00 H new ATOM 1991 N ASP A 125 104.951 5.225 -5.708 1.00 0.00 N ATOM 1992 CA ASP A 125 104.604 5.986 -6.938 1.00 0.00 C ATOM 1993 C ASP A 125 104.041 5.044 -8.002 1.00 0.00 C ATOM 1994 O ASP A 125 103.022 5.320 -8.603 1.00 0.00 O ATOM 1995 CB ASP A 125 105.860 6.694 -7.459 1.00 0.00 C ATOM 1996 CG ASP A 125 105.788 6.859 -8.982 1.00 0.00 C ATOM 1997 OD1 ASP A 125 104.699 7.083 -9.483 1.00 0.00 O ATOM 1998 OD2 ASP A 125 106.824 6.760 -9.618 1.00 0.00 O ATOM 0 H ASP A 125 105.949 5.125 -5.521 1.00 0.00 H new ATOM 0 HA ASP A 125 103.841 6.729 -6.705 1.00 0.00 H new ATOM 0 HB2 ASP A 125 105.957 7.671 -6.985 1.00 0.00 H new ATOM 0 HB3 ASP A 125 106.747 6.120 -7.191 1.00 0.00 H new ATOM 2003 N ARG A 126 104.689 3.943 -8.251 1.00 0.00 N ATOM 2004 CA ARG A 126 104.170 3.014 -9.290 1.00 0.00 C ATOM 2005 C ARG A 126 104.974 1.721 -9.294 1.00 0.00 C ATOM 2006 O ARG A 126 105.894 1.545 -8.527 1.00 0.00 O ATOM 2007 CB ARG A 126 104.280 3.670 -10.664 1.00 0.00 C ATOM 2008 CG ARG A 126 105.731 4.071 -10.937 1.00 0.00 C ATOM 2009 CD ARG A 126 105.770 5.137 -12.035 1.00 0.00 C ATOM 2010 NE ARG A 126 105.077 4.624 -13.250 1.00 0.00 N ATOM 2011 CZ ARG A 126 105.267 5.204 -14.404 1.00 0.00 C ATOM 2012 NH1 ARG A 126 106.064 6.233 -14.493 1.00 0.00 N ATOM 2013 NH2 ARG A 126 104.660 4.755 -15.468 1.00 0.00 N ATOM 0 H ARG A 126 105.547 3.648 -7.786 1.00 0.00 H new ATOM 0 HA ARG A 126 103.127 2.789 -9.066 1.00 0.00 H new ATOM 0 HB2 ARG A 126 103.933 2.981 -11.434 1.00 0.00 H new ATOM 0 HB3 ARG A 126 103.636 4.549 -10.709 1.00 0.00 H new ATOM 0 HG2 ARG A 126 106.190 4.455 -10.026 1.00 0.00 H new ATOM 0 HG3 ARG A 126 106.309 3.199 -11.242 1.00 0.00 H new ATOM 0 HD2 ARG A 126 105.288 6.051 -11.687 1.00 0.00 H new ATOM 0 HD3 ARG A 126 106.803 5.392 -12.273 1.00 0.00 H new ATOM 0 HE ARG A 126 104.454 3.819 -13.180 1.00 0.00 H new ATOM 0 HH11 ARG A 126 106.538 6.584 -13.661 1.00 0.00 H new ATOM 0 HH12 ARG A 126 106.213 6.686 -15.394 1.00 0.00 H new ATOM 0 HH21 ARG A 126 104.037 3.951 -15.398 1.00 0.00 H new ATOM 0 HH22 ARG A 126 104.809 5.208 -16.369 1.00 0.00 H new ATOM 2027 N VAL A 127 104.625 0.819 -10.166 1.00 0.00 N ATOM 2028 CA VAL A 127 105.357 -0.474 -10.255 1.00 0.00 C ATOM 2029 C VAL A 127 105.943 -0.600 -11.663 1.00 0.00 C ATOM 2030 O VAL A 127 105.260 -0.396 -12.647 1.00 0.00 O ATOM 2031 CB VAL A 127 104.392 -1.631 -9.971 1.00 0.00 C ATOM 2032 CG1 VAL A 127 105.122 -2.716 -9.179 1.00 0.00 C ATOM 2033 CG2 VAL A 127 103.213 -1.112 -9.145 1.00 0.00 C ATOM 0 H VAL A 127 103.856 0.923 -10.828 1.00 0.00 H new ATOM 0 HA VAL A 127 106.161 -0.508 -9.520 1.00 0.00 H new ATOM 0 HB VAL A 127 104.029 -2.045 -10.912 1.00 0.00 H new ATOM 0 HG11 VAL A 127 104.438 -3.540 -8.975 1.00 0.00 H new ATOM 0 HG12 VAL A 127 105.969 -3.082 -9.759 1.00 0.00 H new ATOM 0 HG13 VAL A 127 105.480 -2.300 -8.237 1.00 0.00 H new ATOM 0 HG21 VAL A 127 102.524 -1.931 -8.940 1.00 0.00 H new ATOM 0 HG22 VAL A 127 103.580 -0.703 -8.204 1.00 0.00 H new ATOM 0 HG23 VAL A 127 102.694 -0.332 -9.702 1.00 0.00 H new ATOM 2043 N LEU A 128 107.207 -0.910 -11.766 1.00 0.00 N ATOM 2044 CA LEU A 128 107.850 -1.023 -13.106 1.00 0.00 C ATOM 2045 C LEU A 128 108.502 -2.400 -13.247 1.00 0.00 C ATOM 2046 O LEU A 128 108.068 -3.154 -14.103 1.00 0.00 O ATOM 2047 CB LEU A 128 108.918 0.075 -13.230 1.00 0.00 C ATOM 2048 CG LEU A 128 108.793 0.788 -14.582 1.00 0.00 C ATOM 2049 CD1 LEU A 128 107.655 1.810 -14.527 1.00 0.00 C ATOM 2050 CD2 LEU A 128 110.105 1.510 -14.894 1.00 0.00 C ATOM 2051 OXT LEU A 128 109.424 -2.676 -12.498 1.00 0.00 O ATOM 0 H LEU A 128 107.825 -1.091 -10.975 1.00 0.00 H new ATOM 0 HA LEU A 128 107.104 -0.904 -13.892 1.00 0.00 H new ATOM 0 HB2 LEU A 128 108.805 0.795 -12.420 1.00 0.00 H new ATOM 0 HB3 LEU A 128 109.912 -0.362 -13.132 1.00 0.00 H new ATOM 0 HG LEU A 128 108.580 0.053 -15.359 1.00 0.00 H new ATOM 0 HD11 LEU A 128 107.571 2.313 -15.490 1.00 0.00 H new ATOM 0 HD12 LEU A 128 106.719 1.300 -14.301 1.00 0.00 H new ATOM 0 HD13 LEU A 128 107.864 2.546 -13.750 1.00 0.00 H new ATOM 0 HD21 LEU A 128 110.021 2.018 -15.854 1.00 0.00 H new ATOM 0 HD22 LEU A 128 110.312 2.242 -14.113 1.00 0.00 H new ATOM 0 HD23 LEU A 128 110.918 0.785 -14.937 1.00 0.00 H new