USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 597 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 34 SER OG : rot -58:sc= 1.19 USER MOD Set 1.2: A 37 GLN : amide:sc= -0.781 K(o=0.41,f=-6.7!) USER MOD Set 2.1: A 13 SER OG : rot 104:sc= 0.157 USER MOD Set 2.2: A 29 SER OG : rot -76:sc= 0.27 USER MOD Single : A 1 GLY N :NH3+ -133:sc= 1.35 (180deg=0.87) USER MOD Single : A 2 HIS : no HE2:sc= -0.0667 K(o=-0.067,f=-0.76) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-0.24) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.902 K(o=-0.9,f=-16!) USER MOD Single : A 11 GLN : amide:sc= -0.867 K(o=-0.87,f=0) USER MOD Single : A 14 HIS : no HE2:sc= -1.97! X(o=-2!,f=-2.1) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.32) USER MOD Single : A 24 TYR OH : rot -155:sc= 0.184 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 1.05 K(o=1,f=-2!) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 40 GLN : amide:sc= -2.76! C(o=-2.8!,f=-1.7!) USER MOD Single : A 44 ASN : amide:sc= -0.07 K(o=-0.07,f=-1.2!) USER MOD Single : A 45 LYS NZ :NH3+ 168:sc= -0.0268 (180deg=-0.212) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 168:sc= 0 (180deg=-0.0128) USER MOD Single : A 52 THR OG1 : rot -12:sc= 1.12 USER MOD Single : A 53 SER OG : rot -121:sc= 1.27 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0149 USER MOD Single : A 55 GLN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 150:sc= 1.24 (180deg=0.953) USER MOD Single : A 63 LYS NZ :NH3+ -125:sc= -0.275 (180deg=-2.13!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 148:sc= -2.11 (180deg=-4.84!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 155:sc= -0.241 (180deg=-1.05) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 166:sc= -0.0232 (180deg=-0.197) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.620 -4.866 -0.893 1.00 0.00 N ATOM 2 CA GLY A 1 17.753 -3.476 -0.461 1.00 0.00 C ATOM 3 C GLY A 1 16.560 -3.014 0.343 1.00 0.00 C ATOM 4 O GLY A 1 15.728 -3.830 0.750 1.00 0.00 O ATOM 0 H1 GLY A 1 18.504 -5.377 -0.697 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.838 -5.317 -0.376 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.423 -4.895 -1.914 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.657 -3.368 0.138 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.871 -2.835 -1.335 1.00 0.00 H new ATOM 10 N HIS A 2 16.465 -1.712 0.568 1.00 0.00 N ATOM 11 CA HIS A 2 15.427 -1.142 1.430 1.00 0.00 C ATOM 12 C HIS A 2 14.220 -0.679 0.624 1.00 0.00 C ATOM 13 O HIS A 2 13.177 -0.354 1.194 1.00 0.00 O ATOM 14 CB HIS A 2 15.990 0.057 2.260 1.00 0.00 C ATOM 15 CG HIS A 2 16.221 1.348 1.482 1.00 0.00 C ATOM 16 ND1 HIS A 2 17.303 1.590 0.662 1.00 0.00 N ATOM 17 CD2 HIS A 2 15.449 2.466 1.410 1.00 0.00 C ATOM 18 CE1 HIS A 2 17.156 2.808 0.131 1.00 0.00 C ATOM 19 NE2 HIS A 2 16.045 3.386 0.557 1.00 0.00 N ATOM 0 H HIS A 2 17.097 -1.021 0.164 1.00 0.00 H new ATOM 0 HA HIS A 2 15.107 -1.932 2.110 1.00 0.00 H new ATOM 0 HB2 HIS A 2 15.300 0.265 3.077 1.00 0.00 H new ATOM 0 HB3 HIS A 2 16.934 -0.248 2.710 1.00 0.00 H new ATOM 0 HD1 HIS A 2 18.080 0.951 0.491 1.00 0.00 H new ATOM 0 HD2 HIS A 2 14.517 2.615 1.935 1.00 0.00 H new ATOM 0 HE1 HIS A 2 17.854 3.262 -0.557 1.00 0.00 H new ATOM 27 N MET A 3 14.370 -0.621 -0.679 1.00 0.00 N ATOM 28 CA MET A 3 13.327 -0.090 -1.527 1.00 0.00 C ATOM 29 C MET A 3 12.082 -0.968 -1.592 1.00 0.00 C ATOM 30 O MET A 3 12.117 -2.139 -1.255 1.00 0.00 O ATOM 31 CB MET A 3 13.843 0.296 -2.898 1.00 0.00 C ATOM 32 CG MET A 3 14.735 1.523 -2.870 1.00 0.00 C ATOM 33 SD MET A 3 15.281 2.049 -4.496 1.00 0.00 S ATOM 34 CE MET A 3 16.111 3.562 -4.042 1.00 0.00 C ATOM 0 H MET A 3 15.204 -0.935 -1.175 1.00 0.00 H new ATOM 0 HA MET A 3 12.998 0.830 -1.044 1.00 0.00 H new ATOM 0 HB2 MET A 3 14.399 -0.541 -3.320 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.997 0.483 -3.559 1.00 0.00 H new ATOM 0 HG2 MET A 3 14.197 2.343 -2.394 1.00 0.00 H new ATOM 0 HG3 MET A 3 15.608 1.313 -2.252 1.00 0.00 H new ATOM 0 HE1 MET A 3 16.520 4.035 -4.935 1.00 0.00 H new ATOM 0 HE2 MET A 3 15.401 4.238 -3.566 1.00 0.00 H new ATOM 0 HE3 MET A 3 16.920 3.339 -3.347 1.00 0.00 H new ATOM 44 N VAL A 4 10.999 -0.405 -2.084 1.00 0.00 N ATOM 45 CA VAL A 4 9.693 -1.060 -2.012 1.00 0.00 C ATOM 46 C VAL A 4 9.578 -2.228 -2.960 1.00 0.00 C ATOM 47 O VAL A 4 8.895 -3.201 -2.680 1.00 0.00 O ATOM 48 CB VAL A 4 8.542 -0.065 -2.241 1.00 0.00 C ATOM 49 CG1 VAL A 4 8.776 1.130 -1.399 1.00 0.00 C ATOM 50 CG2 VAL A 4 8.392 0.342 -3.686 1.00 0.00 C ATOM 0 H VAL A 4 10.989 0.507 -2.541 1.00 0.00 H new ATOM 0 HA VAL A 4 9.609 -1.453 -0.999 1.00 0.00 H new ATOM 0 HB VAL A 4 7.612 -0.561 -1.964 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.968 1.846 -1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.808 0.835 -0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.725 1.590 -1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.564 1.044 -3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.312 0.817 -4.028 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.192 -0.540 -4.294 1.00 0.00 H new ATOM 60 N HIS A 5 10.291 -2.156 -4.059 1.00 0.00 N ATOM 61 CA HIS A 5 10.292 -3.228 -5.041 1.00 0.00 C ATOM 62 C HIS A 5 11.054 -4.456 -4.498 1.00 0.00 C ATOM 63 O HIS A 5 11.023 -5.544 -5.080 1.00 0.00 O ATOM 64 CB HIS A 5 10.878 -2.747 -6.388 1.00 0.00 C ATOM 65 CG HIS A 5 12.167 -2.001 -6.275 1.00 0.00 C ATOM 66 ND1 HIS A 5 12.240 -0.637 -6.323 1.00 0.00 N ATOM 67 CD2 HIS A 5 13.430 -2.437 -6.075 1.00 0.00 C ATOM 68 CE1 HIS A 5 13.496 -0.282 -6.142 1.00 0.00 C ATOM 69 NE2 HIS A 5 14.275 -1.338 -5.989 1.00 0.00 N ATOM 0 H HIS A 5 10.884 -1.362 -4.302 1.00 0.00 H new ATOM 0 HA HIS A 5 9.260 -3.528 -5.225 1.00 0.00 H new ATOM 0 HB2 HIS A 5 11.030 -3.613 -7.033 1.00 0.00 H new ATOM 0 HB3 HIS A 5 10.145 -2.107 -6.880 1.00 0.00 H new ATOM 0 HD2 HIS A 5 13.733 -3.471 -5.995 1.00 0.00 H new ATOM 0 HE1 HIS A 5 13.844 0.740 -6.121 1.00 0.00 H new ATOM 0 HE2 HIS A 5 15.284 -1.345 -5.839 1.00 0.00 H new ATOM 77 N GLU A 6 11.722 -4.245 -3.369 1.00 0.00 N ATOM 78 CA GLU A 6 12.497 -5.257 -2.686 1.00 0.00 C ATOM 79 C GLU A 6 11.638 -5.946 -1.631 1.00 0.00 C ATOM 80 O GLU A 6 12.046 -6.955 -1.049 1.00 0.00 O ATOM 81 CB GLU A 6 13.689 -4.600 -1.999 1.00 0.00 C ATOM 82 CG GLU A 6 14.657 -3.921 -2.943 1.00 0.00 C ATOM 83 CD GLU A 6 15.432 -4.914 -3.739 1.00 0.00 C ATOM 84 OE1 GLU A 6 16.491 -5.337 -3.261 1.00 0.00 O ATOM 85 OE2 GLU A 6 14.999 -5.297 -4.850 1.00 0.00 O ATOM 0 H GLU A 6 11.735 -3.341 -2.897 1.00 0.00 H new ATOM 0 HA GLU A 6 12.841 -5.993 -3.413 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.321 -3.864 -1.284 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.227 -5.357 -1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.108 -3.262 -3.616 1.00 0.00 H new ATOM 0 HG3 GLU A 6 15.343 -3.295 -2.373 1.00 0.00 H new ATOM 92 N TRP A 7 10.460 -5.390 -1.372 1.00 0.00 N ATOM 93 CA TRP A 7 9.545 -5.931 -0.379 1.00 0.00 C ATOM 94 C TRP A 7 8.779 -7.077 -0.965 1.00 0.00 C ATOM 95 O TRP A 7 8.490 -7.086 -2.159 1.00 0.00 O ATOM 96 CB TRP A 7 8.549 -4.879 0.098 1.00 0.00 C ATOM 97 CG TRP A 7 9.165 -3.702 0.784 1.00 0.00 C ATOM 98 CD1 TRP A 7 10.426 -3.604 1.302 1.00 0.00 C ATOM 99 CD2 TRP A 7 8.520 -2.470 1.074 1.00 0.00 C ATOM 100 NE1 TRP A 7 10.610 -2.369 1.848 1.00 0.00 N ATOM 101 CE2 TRP A 7 9.452 -1.656 1.730 1.00 0.00 C ATOM 102 CE3 TRP A 7 7.245 -1.971 0.827 1.00 0.00 C ATOM 103 CZ2 TRP A 7 9.150 -0.373 2.146 1.00 0.00 C ATOM 104 CZ3 TRP A 7 6.944 -0.698 1.245 1.00 0.00 C ATOM 105 CH2 TRP A 7 7.894 0.093 1.900 1.00 0.00 C ATOM 0 H TRP A 7 10.115 -4.554 -1.844 1.00 0.00 H new ATOM 0 HA TRP A 7 10.143 -6.262 0.470 1.00 0.00 H new ATOM 0 HB2 TRP A 7 7.977 -4.524 -0.759 1.00 0.00 H new ATOM 0 HB3 TRP A 7 7.842 -5.351 0.780 1.00 0.00 H new ATOM 0 HD1 TRP A 7 11.167 -4.389 1.282 1.00 0.00 H new ATOM 0 HE1 TRP A 7 11.473 -2.032 2.275 1.00 0.00 H new ATOM 0 HE3 TRP A 7 6.507 -2.572 0.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 9.884 0.239 2.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 5.956 -0.300 1.065 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.627 1.091 2.216 1.00 0.00 H new ATOM 116 N SER A 8 8.462 -8.037 -0.149 1.00 0.00 N ATOM 117 CA SER A 8 7.730 -9.159 -0.599 1.00 0.00 C ATOM 118 C SER A 8 6.271 -9.108 -0.150 1.00 0.00 C ATOM 119 O SER A 8 5.399 -8.804 -0.932 1.00 0.00 O ATOM 120 CB SER A 8 8.420 -10.432 -0.144 1.00 0.00 C ATOM 121 OG SER A 8 9.723 -10.521 -0.720 1.00 0.00 O ATOM 0 H SER A 8 8.707 -8.055 0.841 1.00 0.00 H new ATOM 0 HA SER A 8 7.709 -9.145 -1.689 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.494 -10.445 0.943 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.827 -11.299 -0.434 1.00 0.00 H new ATOM 0 HG SER A 8 10.159 -11.345 -0.418 1.00 0.00 H new ATOM 127 N VAL A 9 6.018 -9.356 1.112 1.00 0.00 N ATOM 128 CA VAL A 9 4.638 -9.448 1.596 1.00 0.00 C ATOM 129 C VAL A 9 4.510 -8.801 2.963 1.00 0.00 C ATOM 130 O VAL A 9 3.660 -7.959 3.201 1.00 0.00 O ATOM 131 CB VAL A 9 4.215 -10.950 1.702 1.00 0.00 C ATOM 132 CG1 VAL A 9 2.917 -11.114 2.425 1.00 0.00 C ATOM 133 CG2 VAL A 9 4.147 -11.620 0.338 1.00 0.00 C ATOM 0 H VAL A 9 6.733 -9.498 1.826 1.00 0.00 H new ATOM 0 HA VAL A 9 3.990 -8.927 0.891 1.00 0.00 H new ATOM 0 HB VAL A 9 4.992 -11.446 2.283 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.660 -12.172 2.476 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.010 -10.714 3.435 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.133 -10.576 1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.850 -12.662 0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.416 -11.104 -0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.126 -11.575 -0.139 1.00 0.00 H new ATOM 143 N GLN A 10 5.380 -9.192 3.820 1.00 0.00 N ATOM 144 CA GLN A 10 5.423 -8.751 5.189 1.00 0.00 C ATOM 145 C GLN A 10 5.980 -7.338 5.299 1.00 0.00 C ATOM 146 O GLN A 10 5.756 -6.633 6.276 1.00 0.00 O ATOM 147 CB GLN A 10 6.288 -9.730 5.999 1.00 0.00 C ATOM 148 CG GLN A 10 7.846 -9.698 5.808 1.00 0.00 C ATOM 149 CD GLN A 10 8.426 -9.861 4.369 1.00 0.00 C ATOM 150 OE1 GLN A 10 7.889 -9.401 3.349 1.00 0.00 O ATOM 151 NE2 GLN A 10 9.493 -10.550 4.281 1.00 0.00 N ATOM 0 H GLN A 10 6.119 -9.857 3.589 1.00 0.00 H new ATOM 0 HA GLN A 10 4.408 -8.734 5.587 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.081 -9.557 7.055 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.948 -10.740 5.769 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.209 -8.750 6.206 1.00 0.00 H new ATOM 0 HG3 GLN A 10 8.272 -10.487 6.428 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.929 -10.925 5.124 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.912 -10.727 3.368 1.00 0.00 H new ATOM 160 N GLN A 11 6.712 -6.944 4.287 1.00 0.00 N ATOM 161 CA GLN A 11 7.365 -5.669 4.273 1.00 0.00 C ATOM 162 C GLN A 11 6.536 -4.576 3.635 1.00 0.00 C ATOM 163 O GLN A 11 6.834 -3.401 3.791 1.00 0.00 O ATOM 164 CB GLN A 11 8.762 -5.796 3.679 1.00 0.00 C ATOM 165 CG GLN A 11 9.696 -6.554 4.613 1.00 0.00 C ATOM 166 CD GLN A 11 11.147 -6.577 4.203 1.00 0.00 C ATOM 167 OE1 GLN A 11 12.027 -6.608 5.059 1.00 0.00 O ATOM 168 NE2 GLN A 11 11.417 -6.632 2.939 1.00 0.00 N ATOM 0 H GLN A 11 6.869 -7.504 3.449 1.00 0.00 H new ATOM 0 HA GLN A 11 7.477 -5.345 5.308 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.706 -6.312 2.721 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.167 -4.803 3.483 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.624 -6.112 5.607 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.343 -7.582 4.695 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.661 -6.604 2.254 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.385 -6.704 2.627 1.00 0.00 H new ATOM 177 N VAL A 12 5.457 -4.959 2.979 1.00 0.00 N ATOM 178 CA VAL A 12 4.566 -3.985 2.348 1.00 0.00 C ATOM 179 C VAL A 12 3.746 -3.282 3.452 1.00 0.00 C ATOM 180 O VAL A 12 3.337 -2.118 3.327 1.00 0.00 O ATOM 181 CB VAL A 12 3.599 -4.687 1.318 1.00 0.00 C ATOM 182 CG1 VAL A 12 2.425 -5.385 1.984 1.00 0.00 C ATOM 183 CG2 VAL A 12 3.133 -3.729 0.248 1.00 0.00 C ATOM 0 H VAL A 12 5.171 -5.932 2.865 1.00 0.00 H new ATOM 0 HA VAL A 12 5.161 -3.255 1.799 1.00 0.00 H new ATOM 0 HB VAL A 12 4.188 -5.467 0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.797 -5.848 1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.796 -6.152 2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.838 -4.656 2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.469 -4.249 -0.442 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.598 -2.899 0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.995 -3.346 -0.298 1.00 0.00 H new ATOM 193 N SER A 13 3.586 -3.994 4.553 1.00 0.00 N ATOM 194 CA SER A 13 2.799 -3.576 5.668 1.00 0.00 C ATOM 195 C SER A 13 3.450 -2.406 6.407 1.00 0.00 C ATOM 196 O SER A 13 2.749 -1.544 6.950 1.00 0.00 O ATOM 197 CB SER A 13 2.651 -4.779 6.576 1.00 0.00 C ATOM 198 OG SER A 13 2.708 -5.969 5.772 1.00 0.00 O ATOM 0 H SER A 13 4.020 -4.907 4.686 1.00 0.00 H new ATOM 0 HA SER A 13 1.825 -3.219 5.334 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.444 -4.789 7.323 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.705 -4.732 7.116 1.00 0.00 H new ATOM 0 HG SER A 13 3.586 -6.392 5.876 1.00 0.00 H new ATOM 204 N HIS A 14 4.787 -2.337 6.355 1.00 0.00 N ATOM 205 CA HIS A 14 5.536 -1.295 7.069 1.00 0.00 C ATOM 206 C HIS A 14 5.181 0.072 6.520 1.00 0.00 C ATOM 207 O HIS A 14 5.169 1.067 7.252 1.00 0.00 O ATOM 208 CB HIS A 14 7.057 -1.516 6.986 1.00 0.00 C ATOM 209 CG HIS A 14 7.529 -2.866 7.448 1.00 0.00 C ATOM 210 ND1 HIS A 14 7.096 -3.497 8.597 1.00 0.00 N ATOM 211 CD2 HIS A 14 8.393 -3.723 6.860 1.00 0.00 C ATOM 212 CE1 HIS A 14 7.691 -4.687 8.665 1.00 0.00 C ATOM 213 NE2 HIS A 14 8.495 -4.877 7.629 1.00 0.00 N ATOM 0 H HIS A 14 5.370 -2.988 5.828 1.00 0.00 H new ATOM 0 HA HIS A 14 5.252 -1.352 8.120 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.374 -1.371 5.953 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.553 -0.751 7.583 1.00 0.00 H new ATOM 0 HD1 HIS A 14 6.436 -3.118 9.276 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.922 -3.540 5.936 1.00 0.00 H new ATOM 0 HE1 HIS A 14 7.538 -5.402 9.460 1.00 0.00 H new ATOM 221 N TRP A 15 4.889 0.116 5.233 1.00 0.00 N ATOM 222 CA TRP A 15 4.440 1.330 4.611 1.00 0.00 C ATOM 223 C TRP A 15 3.051 1.668 5.109 1.00 0.00 C ATOM 224 O TRP A 15 2.868 2.696 5.730 1.00 0.00 O ATOM 225 CB TRP A 15 4.475 1.212 3.077 1.00 0.00 C ATOM 226 CG TRP A 15 3.680 2.271 2.354 1.00 0.00 C ATOM 227 CD1 TRP A 15 3.941 3.613 2.269 1.00 0.00 C ATOM 228 CD2 TRP A 15 2.484 2.051 1.607 1.00 0.00 C ATOM 229 NE1 TRP A 15 2.964 4.231 1.527 1.00 0.00 N ATOM 230 CE2 TRP A 15 2.061 3.290 1.106 1.00 0.00 C ATOM 231 CE3 TRP A 15 1.727 0.917 1.320 1.00 0.00 C ATOM 232 CZ2 TRP A 15 0.914 3.420 0.334 1.00 0.00 C ATOM 233 CZ3 TRP A 15 0.596 1.059 0.552 1.00 0.00 C ATOM 234 CH2 TRP A 15 0.206 2.291 0.076 1.00 0.00 C ATOM 0 H TRP A 15 4.958 -0.683 4.603 1.00 0.00 H new ATOM 0 HA TRP A 15 5.116 2.141 4.883 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.512 1.262 2.744 1.00 0.00 H new ATOM 0 HB3 TRP A 15 4.095 0.231 2.791 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.788 4.111 2.718 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.918 5.229 1.322 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.023 -0.053 1.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.598 4.380 -0.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 0.002 0.188 0.317 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.691 2.361 -0.521 1.00 0.00 H new ATOM 245 N LEU A 16 2.109 0.740 4.896 1.00 0.00 N ATOM 246 CA LEU A 16 0.686 0.903 5.250 1.00 0.00 C ATOM 247 C LEU A 16 0.494 1.446 6.657 1.00 0.00 C ATOM 248 O LEU A 16 -0.207 2.440 6.859 1.00 0.00 O ATOM 249 CB LEU A 16 -0.022 -0.434 5.129 1.00 0.00 C ATOM 250 CG LEU A 16 -0.195 -0.990 3.710 1.00 0.00 C ATOM 251 CD1 LEU A 16 -0.506 -2.455 3.755 1.00 0.00 C ATOM 252 CD2 LEU A 16 -1.329 -0.282 2.998 1.00 0.00 C ATOM 0 H LEU A 16 2.314 -0.162 4.466 1.00 0.00 H new ATOM 0 HA LEU A 16 0.261 1.629 4.557 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.530 -1.167 5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.009 -0.340 5.581 1.00 0.00 H new ATOM 0 HG LEU A 16 0.739 -0.826 3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.626 -2.833 2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.310 -2.985 4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.429 -2.614 4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.438 -0.689 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.256 -0.431 3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.111 0.784 2.936 1.00 0.00 H new ATOM 264 N VAL A 17 1.146 0.832 7.614 1.00 0.00 N ATOM 265 CA VAL A 17 1.033 1.225 9.012 1.00 0.00 C ATOM 266 C VAL A 17 1.489 2.682 9.218 1.00 0.00 C ATOM 267 O VAL A 17 0.911 3.419 10.027 1.00 0.00 O ATOM 268 CB VAL A 17 1.857 0.272 9.906 1.00 0.00 C ATOM 269 CG1 VAL A 17 1.804 0.664 11.377 1.00 0.00 C ATOM 270 CG2 VAL A 17 1.377 -1.148 9.743 1.00 0.00 C ATOM 0 H VAL A 17 1.773 0.044 7.453 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.017 1.157 9.298 1.00 0.00 H new ATOM 0 HB VAL A 17 2.894 0.351 9.580 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.399 -0.037 11.962 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.204 1.670 11.500 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.771 0.640 11.723 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.968 -1.807 10.379 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.327 -1.212 10.029 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.489 -1.453 8.702 1.00 0.00 H new ATOM 280 N GLY A 18 2.421 3.120 8.391 1.00 0.00 N ATOM 281 CA GLY A 18 2.998 4.438 8.515 1.00 0.00 C ATOM 282 C GLY A 18 2.010 5.526 8.173 1.00 0.00 C ATOM 283 O GLY A 18 2.104 6.643 8.678 1.00 0.00 O ATOM 0 H GLY A 18 2.796 2.570 7.618 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.356 4.582 9.534 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.865 4.517 7.859 1.00 0.00 H new ATOM 287 N LEU A 19 1.049 5.198 7.332 1.00 0.00 N ATOM 288 CA LEU A 19 0.032 6.153 6.952 1.00 0.00 C ATOM 289 C LEU A 19 -1.309 5.833 7.590 1.00 0.00 C ATOM 290 O LEU A 19 -2.320 6.372 7.175 1.00 0.00 O ATOM 291 CB LEU A 19 -0.129 6.288 5.422 1.00 0.00 C ATOM 292 CG LEU A 19 -0.364 5.013 4.623 1.00 0.00 C ATOM 293 CD1 LEU A 19 -1.101 5.313 3.357 1.00 0.00 C ATOM 294 CD2 LEU A 19 0.934 4.384 4.259 1.00 0.00 C ATOM 0 H LEU A 19 0.953 4.279 6.901 1.00 0.00 H new ATOM 0 HA LEU A 19 0.380 7.114 7.330 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.963 6.963 5.230 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.767 6.769 5.031 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.951 4.337 5.246 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.259 4.389 2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.065 5.763 3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.517 6.006 2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.750 3.474 3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.518 5.079 3.656 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.486 4.138 5.166 1.00 0.00 H new ATOM 306 N SER A 20 -1.293 4.973 8.625 1.00 0.00 N ATOM 307 CA SER A 20 -2.512 4.554 9.361 1.00 0.00 C ATOM 308 C SER A 20 -3.403 3.637 8.505 1.00 0.00 C ATOM 309 O SER A 20 -4.584 3.479 8.754 1.00 0.00 O ATOM 310 CB SER A 20 -3.285 5.780 9.889 1.00 0.00 C ATOM 311 OG SER A 20 -2.422 6.614 10.658 1.00 0.00 O ATOM 0 H SER A 20 -0.437 4.546 8.979 1.00 0.00 H new ATOM 0 HA SER A 20 -2.197 3.969 10.225 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.699 6.345 9.054 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.126 5.453 10.500 1.00 0.00 H new ATOM 0 HG SER A 20 -2.923 7.389 10.986 1.00 0.00 H new ATOM 317 N LEU A 21 -2.776 2.967 7.569 1.00 0.00 N ATOM 318 CA LEU A 21 -3.412 2.050 6.636 1.00 0.00 C ATOM 319 C LEU A 21 -3.160 0.611 7.049 1.00 0.00 C ATOM 320 O LEU A 21 -3.298 -0.298 6.242 1.00 0.00 O ATOM 321 CB LEU A 21 -2.859 2.284 5.220 1.00 0.00 C ATOM 322 CG LEU A 21 -3.587 3.269 4.300 1.00 0.00 C ATOM 323 CD1 LEU A 21 -4.719 2.584 3.616 1.00 0.00 C ATOM 324 CD2 LEU A 21 -4.096 4.498 5.046 1.00 0.00 C ATOM 0 H LEU A 21 -1.769 3.044 7.425 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.486 2.234 6.644 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.828 2.625 5.320 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.828 1.319 4.713 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.864 3.616 3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.232 3.291 2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.337 1.754 3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.419 2.205 4.361 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.604 5.163 4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.793 4.188 5.824 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.255 5.022 5.500 1.00 0.00 H new ATOM 336 N ASP A 22 -2.795 0.407 8.322 1.00 0.00 N ATOM 337 CA ASP A 22 -2.605 -0.952 8.900 1.00 0.00 C ATOM 338 C ASP A 22 -3.823 -1.835 8.648 1.00 0.00 C ATOM 339 O ASP A 22 -3.705 -3.032 8.446 1.00 0.00 O ATOM 340 CB ASP A 22 -2.328 -0.869 10.399 1.00 0.00 C ATOM 341 CG ASP A 22 -2.229 -2.229 11.069 1.00 0.00 C ATOM 342 OD1 ASP A 22 -1.456 -3.077 10.618 1.00 0.00 O ATOM 343 OD2 ASP A 22 -2.925 -2.455 12.076 1.00 0.00 O ATOM 0 H ASP A 22 -2.622 1.164 8.983 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.744 -1.401 8.405 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.398 -0.324 10.560 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.121 -0.294 10.876 1.00 0.00 H new ATOM 348 N GLN A 23 -4.975 -1.202 8.584 1.00 0.00 N ATOM 349 CA GLN A 23 -6.253 -1.859 8.297 1.00 0.00 C ATOM 350 C GLN A 23 -6.234 -2.583 6.928 1.00 0.00 C ATOM 351 O GLN A 23 -6.978 -3.531 6.707 1.00 0.00 O ATOM 352 CB GLN A 23 -7.363 -0.807 8.350 1.00 0.00 C ATOM 353 CG GLN A 23 -7.185 0.325 7.367 1.00 0.00 C ATOM 354 CD GLN A 23 -7.634 1.637 7.936 1.00 0.00 C ATOM 355 OE1 GLN A 23 -8.542 1.714 8.764 1.00 0.00 O ATOM 356 NE2 GLN A 23 -6.998 2.662 7.526 1.00 0.00 N ATOM 0 H GLN A 23 -5.062 -0.196 8.731 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.436 -2.627 9.048 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.320 -1.293 8.159 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.411 -0.395 9.358 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.136 0.394 7.080 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.750 0.110 6.460 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.251 2.558 6.839 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.235 3.587 7.885 1.00 0.00 H new ATOM 365 N TYR A 24 -5.350 -2.149 6.042 1.00 0.00 N ATOM 366 CA TYR A 24 -5.227 -2.723 4.717 1.00 0.00 C ATOM 367 C TYR A 24 -4.266 -3.897 4.685 1.00 0.00 C ATOM 368 O TYR A 24 -4.380 -4.754 3.807 1.00 0.00 O ATOM 369 CB TYR A 24 -4.796 -1.669 3.704 1.00 0.00 C ATOM 370 CG TYR A 24 -5.916 -1.124 2.835 1.00 0.00 C ATOM 371 CD1 TYR A 24 -6.790 -0.140 3.279 1.00 0.00 C ATOM 372 CD2 TYR A 24 -6.083 -1.604 1.546 1.00 0.00 C ATOM 373 CE1 TYR A 24 -7.789 0.341 2.456 1.00 0.00 C ATOM 374 CE2 TYR A 24 -7.071 -1.130 0.721 1.00 0.00 C ATOM 375 CZ TYR A 24 -7.924 -0.159 1.172 1.00 0.00 C ATOM 376 OH TYR A 24 -8.921 0.314 0.329 1.00 0.00 O ATOM 0 H TYR A 24 -4.698 -1.387 6.225 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.215 -3.096 4.445 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.334 -0.839 4.239 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.030 -2.098 3.058 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.687 0.253 4.279 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.417 -2.372 1.181 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.463 1.105 2.813 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.175 -1.521 -0.280 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.134 -0.369 -0.341 1.00 0.00 H new ATOM 386 N VAL A 25 -3.341 -3.957 5.657 1.00 0.00 N ATOM 387 CA VAL A 25 -2.323 -5.048 5.722 1.00 0.00 C ATOM 388 C VAL A 25 -2.994 -6.421 5.707 1.00 0.00 C ATOM 389 O VAL A 25 -2.514 -7.356 5.052 1.00 0.00 O ATOM 390 CB VAL A 25 -1.388 -4.943 6.977 1.00 0.00 C ATOM 391 CG1 VAL A 25 -0.407 -6.089 7.023 1.00 0.00 C ATOM 392 CG2 VAL A 25 -0.674 -3.607 7.011 1.00 0.00 C ATOM 0 H VAL A 25 -3.267 -3.273 6.410 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.700 -4.928 4.835 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.014 -5.009 7.867 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.228 -5.989 7.904 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.951 -7.032 7.073 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.212 -6.074 6.126 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.032 -3.560 7.891 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.067 -3.496 6.113 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.409 -2.803 7.054 1.00 0.00 H new ATOM 402 N SER A 26 -4.140 -6.480 6.366 1.00 0.00 N ATOM 403 CA SER A 26 -4.976 -7.660 6.504 1.00 0.00 C ATOM 404 C SER A 26 -5.173 -8.378 5.155 1.00 0.00 C ATOM 405 O SER A 26 -5.097 -9.605 5.081 1.00 0.00 O ATOM 406 CB SER A 26 -6.331 -7.201 7.075 1.00 0.00 C ATOM 407 OG SER A 26 -7.192 -8.281 7.399 1.00 0.00 O ATOM 0 H SER A 26 -4.531 -5.667 6.842 1.00 0.00 H new ATOM 0 HA SER A 26 -4.496 -8.376 7.171 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.158 -6.601 7.969 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.825 -6.555 6.349 1.00 0.00 H new ATOM 0 HG SER A 26 -8.034 -7.932 7.758 1.00 0.00 H new ATOM 413 N GLU A 27 -5.371 -7.612 4.101 1.00 0.00 N ATOM 414 CA GLU A 27 -5.586 -8.189 2.801 1.00 0.00 C ATOM 415 C GLU A 27 -4.359 -7.970 1.900 1.00 0.00 C ATOM 416 O GLU A 27 -4.076 -8.789 1.038 1.00 0.00 O ATOM 417 CB GLU A 27 -6.863 -7.632 2.179 1.00 0.00 C ATOM 418 CG GLU A 27 -7.248 -8.230 0.829 1.00 0.00 C ATOM 419 CD GLU A 27 -7.578 -9.701 0.852 1.00 0.00 C ATOM 420 OE1 GLU A 27 -8.118 -10.199 1.857 1.00 0.00 O ATOM 421 OE2 GLU A 27 -7.383 -10.372 -0.184 1.00 0.00 O ATOM 0 H GLU A 27 -5.386 -6.592 4.125 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.717 -9.266 2.907 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.686 -7.791 2.876 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.749 -6.554 2.061 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.109 -7.686 0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.427 -8.068 0.130 1.00 0.00 H new ATOM 428 N PHE A 28 -3.607 -6.880 2.129 1.00 0.00 N ATOM 429 CA PHE A 28 -2.372 -6.601 1.360 1.00 0.00 C ATOM 430 C PHE A 28 -1.417 -7.786 1.423 1.00 0.00 C ATOM 431 O PHE A 28 -0.937 -8.282 0.398 1.00 0.00 O ATOM 432 CB PHE A 28 -1.670 -5.346 1.888 1.00 0.00 C ATOM 433 CG PHE A 28 -1.810 -4.122 1.014 1.00 0.00 C ATOM 434 CD1 PHE A 28 -3.035 -3.525 0.806 1.00 0.00 C ATOM 435 CD2 PHE A 28 -0.694 -3.563 0.403 1.00 0.00 C ATOM 436 CE1 PHE A 28 -3.147 -2.400 0.004 1.00 0.00 C ATOM 437 CE2 PHE A 28 -0.806 -2.441 -0.393 1.00 0.00 C ATOM 438 CZ PHE A 28 -2.037 -1.863 -0.588 1.00 0.00 C ATOM 0 H PHE A 28 -3.827 -6.178 2.836 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.660 -6.432 0.322 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.066 -5.115 2.877 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.610 -5.566 2.012 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.917 -3.938 1.273 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.276 -4.013 0.553 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.114 -1.946 -0.154 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.071 -2.019 -0.861 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.128 -0.984 -1.209 1.00 0.00 H new ATOM 448 N SER A 29 -1.238 -8.303 2.607 1.00 0.00 N ATOM 449 CA SER A 29 -0.338 -9.400 2.813 1.00 0.00 C ATOM 450 C SER A 29 -1.022 -10.746 2.491 1.00 0.00 C ATOM 451 O SER A 29 -0.378 -11.788 2.438 1.00 0.00 O ATOM 452 CB SER A 29 0.205 -9.354 4.240 1.00 0.00 C ATOM 453 OG SER A 29 0.847 -8.100 4.487 1.00 0.00 O ATOM 0 H SER A 29 -1.709 -7.977 3.451 1.00 0.00 H new ATOM 0 HA SER A 29 0.505 -9.310 2.127 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.608 -9.500 4.951 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.912 -10.169 4.394 1.00 0.00 H new ATOM 0 HG SER A 29 1.725 -8.091 4.052 1.00 0.00 H new ATOM 459 N ALA A 30 -2.318 -10.698 2.216 1.00 0.00 N ATOM 460 CA ALA A 30 -3.061 -11.890 1.877 1.00 0.00 C ATOM 461 C ALA A 30 -2.920 -12.174 0.403 1.00 0.00 C ATOM 462 O ALA A 30 -2.785 -13.325 -0.010 1.00 0.00 O ATOM 463 CB ALA A 30 -4.530 -11.757 2.256 1.00 0.00 C ATOM 0 H ALA A 30 -2.872 -9.842 2.223 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.650 -12.724 2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.059 -12.671 1.987 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.615 -11.591 3.330 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.968 -10.914 1.723 1.00 0.00 H new ATOM 469 N GLN A 31 -2.897 -11.112 -0.402 1.00 0.00 N ATOM 470 CA GLN A 31 -2.797 -11.286 -1.861 1.00 0.00 C ATOM 471 C GLN A 31 -1.353 -11.274 -2.289 1.00 0.00 C ATOM 472 O GLN A 31 -1.056 -11.398 -3.481 1.00 0.00 O ATOM 473 CB GLN A 31 -3.536 -10.199 -2.644 1.00 0.00 C ATOM 474 CG GLN A 31 -4.674 -9.563 -1.910 1.00 0.00 C ATOM 475 CD GLN A 31 -5.626 -8.803 -2.820 1.00 0.00 C ATOM 476 OE1 GLN A 31 -5.229 -8.256 -3.858 1.00 0.00 O ATOM 477 NE2 GLN A 31 -6.874 -8.783 -2.454 1.00 0.00 N ATOM 0 H GLN A 31 -2.945 -10.144 -0.085 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.265 -12.245 -2.084 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.823 -9.423 -2.923 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.915 -10.632 -3.570 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.230 -10.334 -1.377 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.277 -8.880 -1.159 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.160 -9.246 -1.591 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.567 -8.304 -3.030 1.00 0.00 H new ATOM 486 N ASN A 32 -0.461 -11.131 -1.308 1.00 0.00 N ATOM 487 CA ASN A 32 0.985 -11.067 -1.530 1.00 0.00 C ATOM 488 C ASN A 32 1.329 -9.808 -2.293 1.00 0.00 C ATOM 489 O ASN A 32 2.209 -9.803 -3.161 1.00 0.00 O ATOM 490 CB ASN A 32 1.513 -12.315 -2.266 1.00 0.00 C ATOM 491 CG ASN A 32 1.223 -13.604 -1.529 1.00 0.00 C ATOM 492 OD1 ASN A 32 1.999 -14.045 -0.690 1.00 0.00 O ATOM 493 ND2 ASN A 32 0.114 -14.231 -1.853 1.00 0.00 N ATOM 0 H ASN A 32 -0.725 -11.055 -0.326 1.00 0.00 H new ATOM 0 HA ASN A 32 1.475 -11.043 -0.556 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.064 -12.362 -3.258 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.589 -12.218 -2.407 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.123 -15.114 -1.401 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.509 -13.834 -2.556 1.00 0.00 H new ATOM 500 N ILE A 33 0.631 -8.730 -1.948 1.00 0.00 N ATOM 501 CA ILE A 33 0.848 -7.442 -2.559 1.00 0.00 C ATOM 502 C ILE A 33 2.226 -6.939 -2.140 1.00 0.00 C ATOM 503 O ILE A 33 2.472 -6.753 -0.961 1.00 0.00 O ATOM 504 CB ILE A 33 -0.231 -6.400 -2.102 1.00 0.00 C ATOM 505 CG1 ILE A 33 -1.653 -6.840 -2.509 1.00 0.00 C ATOM 506 CG2 ILE A 33 0.070 -5.005 -2.655 1.00 0.00 C ATOM 507 CD1 ILE A 33 -1.871 -6.977 -4.010 1.00 0.00 C ATOM 0 H ILE A 33 -0.099 -8.735 -1.236 1.00 0.00 H new ATOM 0 HA ILE A 33 0.777 -7.552 -3.641 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.187 -6.355 -1.014 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.872 -7.797 -2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.369 -6.118 -2.116 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.697 -4.307 -2.319 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.044 -4.674 -2.296 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.077 -5.039 -3.744 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.897 -7.290 -4.202 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.688 -6.017 -4.493 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.184 -7.722 -4.411 1.00 0.00 H new ATOM 519 N SER A 34 3.120 -6.782 -3.076 1.00 0.00 N ATOM 520 CA SER A 34 4.427 -6.276 -2.755 1.00 0.00 C ATOM 521 C SER A 34 4.531 -4.839 -3.236 1.00 0.00 C ATOM 522 O SER A 34 3.520 -4.230 -3.634 1.00 0.00 O ATOM 523 CB SER A 34 5.504 -7.124 -3.433 1.00 0.00 C ATOM 524 OG SER A 34 5.429 -7.011 -4.844 1.00 0.00 O ATOM 0 H SER A 34 2.970 -6.995 -4.062 1.00 0.00 H new ATOM 0 HA SER A 34 4.577 -6.319 -1.676 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.489 -6.807 -3.092 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.386 -8.168 -3.142 1.00 0.00 H new ATOM 0 HG SER A 34 4.537 -7.282 -5.147 1.00 0.00 H new ATOM 530 N GLY A 35 5.757 -4.318 -3.263 1.00 0.00 N ATOM 531 CA GLY A 35 6.010 -2.987 -3.747 1.00 0.00 C ATOM 532 C GLY A 35 5.656 -2.868 -5.209 1.00 0.00 C ATOM 533 O GLY A 35 5.304 -1.792 -5.678 1.00 0.00 O ATOM 0 H GLY A 35 6.591 -4.815 -2.949 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.429 -2.269 -3.169 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.061 -2.737 -3.602 1.00 0.00 H new ATOM 537 N GLU A 36 5.692 -4.009 -5.905 1.00 0.00 N ATOM 538 CA GLU A 36 5.340 -4.101 -7.305 1.00 0.00 C ATOM 539 C GLU A 36 3.938 -3.585 -7.514 1.00 0.00 C ATOM 540 O GLU A 36 3.686 -2.762 -8.389 1.00 0.00 O ATOM 541 CB GLU A 36 5.419 -5.555 -7.763 1.00 0.00 C ATOM 542 CG GLU A 36 5.214 -5.726 -9.245 1.00 0.00 C ATOM 543 CD GLU A 36 6.256 -5.000 -10.031 1.00 0.00 C ATOM 544 OE1 GLU A 36 7.406 -5.450 -10.055 1.00 0.00 O ATOM 545 OE2 GLU A 36 5.955 -3.966 -10.632 1.00 0.00 O ATOM 0 H GLU A 36 5.972 -4.901 -5.496 1.00 0.00 H new ATOM 0 HA GLU A 36 6.038 -3.499 -7.887 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.392 -5.962 -7.489 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.668 -6.138 -7.230 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.240 -6.786 -9.497 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.226 -5.357 -9.521 1.00 0.00 H new ATOM 552 N GLN A 37 3.044 -4.014 -6.664 1.00 0.00 N ATOM 553 CA GLN A 37 1.669 -3.636 -6.793 1.00 0.00 C ATOM 554 C GLN A 37 1.347 -2.411 -5.989 1.00 0.00 C ATOM 555 O GLN A 37 0.334 -1.791 -6.210 1.00 0.00 O ATOM 556 CB GLN A 37 0.677 -4.787 -6.506 1.00 0.00 C ATOM 557 CG GLN A 37 1.222 -6.019 -5.807 1.00 0.00 C ATOM 558 CD GLN A 37 2.173 -6.861 -6.635 1.00 0.00 C ATOM 559 OE1 GLN A 37 3.048 -7.511 -6.084 1.00 0.00 O ATOM 560 NE2 GLN A 37 2.030 -6.848 -7.937 1.00 0.00 N ATOM 0 H GLN A 37 3.247 -4.627 -5.874 1.00 0.00 H new ATOM 0 HA GLN A 37 1.534 -3.387 -7.846 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.136 -4.388 -5.900 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.243 -5.102 -7.455 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.736 -5.705 -4.899 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.383 -6.643 -5.498 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.288 -6.293 -8.363 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.661 -7.393 -8.525 1.00 0.00 H new ATOM 569 N LEU A 38 2.235 -2.066 -5.088 1.00 0.00 N ATOM 570 CA LEU A 38 2.091 -0.903 -4.226 1.00 0.00 C ATOM 571 C LEU A 38 2.229 0.370 -5.073 1.00 0.00 C ATOM 572 O LEU A 38 1.386 1.256 -5.033 1.00 0.00 O ATOM 573 CB LEU A 38 3.199 -0.968 -3.154 1.00 0.00 C ATOM 574 CG LEU A 38 3.029 -0.163 -1.861 1.00 0.00 C ATOM 575 CD1 LEU A 38 4.185 -0.452 -0.937 1.00 0.00 C ATOM 576 CD2 LEU A 38 2.965 1.320 -2.115 1.00 0.00 C ATOM 0 H LEU A 38 3.095 -2.590 -4.925 1.00 0.00 H new ATOM 0 HA LEU A 38 1.114 -0.890 -3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.327 -2.014 -2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.129 -0.646 -3.622 1.00 0.00 H new ATOM 0 HG LEU A 38 2.084 -0.466 -1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.067 0.119 -0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.207 -1.516 -0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.119 -0.168 -1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.844 1.846 -1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.886 1.647 -2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.118 1.542 -2.764 1.00 0.00 H new ATOM 588 N LEU A 39 3.278 0.423 -5.853 1.00 0.00 N ATOM 589 CA LEU A 39 3.581 1.588 -6.673 1.00 0.00 C ATOM 590 C LEU A 39 2.503 1.826 -7.723 1.00 0.00 C ATOM 591 O LEU A 39 2.047 2.955 -7.930 1.00 0.00 O ATOM 592 CB LEU A 39 4.933 1.376 -7.335 1.00 0.00 C ATOM 593 CG LEU A 39 6.116 1.236 -6.375 1.00 0.00 C ATOM 594 CD1 LEU A 39 7.319 0.625 -7.091 1.00 0.00 C ATOM 595 CD2 LEU A 39 6.471 2.601 -5.784 1.00 0.00 C ATOM 0 H LEU A 39 3.953 -0.337 -5.944 1.00 0.00 H new ATOM 0 HA LEU A 39 3.611 2.473 -6.038 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.880 0.480 -7.953 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.127 2.214 -8.004 1.00 0.00 H new ATOM 0 HG LEU A 39 5.834 0.567 -5.562 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.150 0.533 -6.392 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.054 -0.362 -7.471 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.612 1.267 -7.922 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.314 2.494 -5.101 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.740 3.287 -6.588 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.613 2.997 -5.241 1.00 0.00 H new ATOM 607 N GLN A 40 2.061 0.764 -8.342 1.00 0.00 N ATOM 608 CA GLN A 40 1.084 0.873 -9.417 1.00 0.00 C ATOM 609 C GLN A 40 -0.392 0.759 -8.911 1.00 0.00 C ATOM 610 O GLN A 40 -1.329 0.601 -9.711 1.00 0.00 O ATOM 611 CB GLN A 40 1.439 -0.119 -10.562 1.00 0.00 C ATOM 612 CG GLN A 40 1.326 -1.597 -10.218 1.00 0.00 C ATOM 613 CD GLN A 40 -0.060 -2.133 -10.439 1.00 0.00 C ATOM 614 OE1 GLN A 40 -0.767 -1.693 -11.333 1.00 0.00 O ATOM 615 NE2 GLN A 40 -0.470 -3.045 -9.624 1.00 0.00 N ATOM 0 H GLN A 40 2.355 -0.189 -8.128 1.00 0.00 H new ATOM 0 HA GLN A 40 1.141 1.879 -9.834 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.787 0.088 -11.411 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.460 0.082 -10.887 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.032 -2.163 -10.825 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.609 -1.747 -9.176 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.149 -3.388 -8.889 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.413 -3.423 -9.714 1.00 0.00 H new ATOM 624 N LEU A 41 -0.588 0.893 -7.585 1.00 0.00 N ATOM 625 CA LEU A 41 -1.928 0.877 -6.973 1.00 0.00 C ATOM 626 C LEU A 41 -2.844 1.945 -7.552 1.00 0.00 C ATOM 627 O LEU A 41 -2.381 2.963 -8.102 1.00 0.00 O ATOM 628 CB LEU A 41 -1.860 1.118 -5.474 1.00 0.00 C ATOM 629 CG LEU A 41 -1.468 -0.037 -4.587 1.00 0.00 C ATOM 630 CD1 LEU A 41 -1.230 0.490 -3.220 1.00 0.00 C ATOM 631 CD2 LEU A 41 -2.579 -1.069 -4.527 1.00 0.00 C ATOM 0 H LEU A 41 0.171 1.014 -6.915 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.328 -0.113 -7.189 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.153 1.929 -5.298 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.838 1.472 -5.148 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.572 -0.512 -4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.945 -0.328 -2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.429 1.229 -3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.141 0.957 -2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.275 -1.893 -3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.482 -0.608 -4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.779 -1.447 -5.530 1.00 0.00 H new ATOM 643 N ASP A 42 -4.124 1.721 -7.399 1.00 0.00 N ATOM 644 CA ASP A 42 -5.160 2.636 -7.821 1.00 0.00 C ATOM 645 C ASP A 42 -6.430 2.175 -7.141 1.00 0.00 C ATOM 646 O ASP A 42 -6.385 1.185 -6.378 1.00 0.00 O ATOM 647 CB ASP A 42 -5.353 2.633 -9.355 1.00 0.00 C ATOM 648 CG ASP A 42 -6.128 1.443 -9.875 1.00 0.00 C ATOM 649 OD1 ASP A 42 -5.588 0.325 -9.915 1.00 0.00 O ATOM 650 OD2 ASP A 42 -7.307 1.615 -10.246 1.00 0.00 O ATOM 0 H ASP A 42 -4.488 0.873 -6.965 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.891 3.657 -7.549 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.870 3.547 -9.648 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.374 2.654 -9.834 1.00 0.00 H new ATOM 655 N GLY A 43 -7.540 2.855 -7.401 1.00 0.00 N ATOM 656 CA GLY A 43 -8.807 2.504 -6.804 1.00 0.00 C ATOM 657 C GLY A 43 -9.212 1.081 -7.055 1.00 0.00 C ATOM 658 O GLY A 43 -9.664 0.423 -6.141 1.00 0.00 O ATOM 0 H GLY A 43 -7.580 3.658 -8.028 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.753 2.674 -5.729 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.579 3.167 -7.193 1.00 0.00 H new ATOM 662 N ASN A 44 -8.999 0.590 -8.275 1.00 0.00 N ATOM 663 CA ASN A 44 -9.362 -0.771 -8.651 1.00 0.00 C ATOM 664 C ASN A 44 -8.739 -1.768 -7.743 1.00 0.00 C ATOM 665 O ASN A 44 -9.415 -2.675 -7.257 1.00 0.00 O ATOM 666 CB ASN A 44 -8.999 -1.076 -10.093 1.00 0.00 C ATOM 667 CG ASN A 44 -9.933 -0.424 -11.091 1.00 0.00 C ATOM 668 OD1 ASN A 44 -11.126 -0.229 -10.818 1.00 0.00 O ATOM 669 ND2 ASN A 44 -9.420 -0.081 -12.238 1.00 0.00 N ATOM 0 H ASN A 44 -8.570 1.126 -9.029 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.445 -0.844 -8.555 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.980 -0.739 -10.284 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.011 -2.155 -10.244 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.005 0.363 -12.946 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.433 -0.257 -12.428 1.00 0.00 H new ATOM 676 N LYS A 45 -7.468 -1.591 -7.478 1.00 0.00 N ATOM 677 CA LYS A 45 -6.777 -2.458 -6.566 1.00 0.00 C ATOM 678 C LYS A 45 -7.316 -2.296 -5.160 1.00 0.00 C ATOM 679 O LYS A 45 -7.630 -3.259 -4.521 1.00 0.00 O ATOM 680 CB LYS A 45 -5.276 -2.228 -6.586 1.00 0.00 C ATOM 681 CG LYS A 45 -4.693 -2.232 -7.963 1.00 0.00 C ATOM 682 CD LYS A 45 -3.248 -2.725 -7.962 1.00 0.00 C ATOM 683 CE LYS A 45 -3.134 -4.199 -7.573 1.00 0.00 C ATOM 684 NZ LYS A 45 -3.857 -5.085 -8.511 1.00 0.00 N ATOM 0 H LYS A 45 -6.893 -0.852 -7.883 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.956 -3.481 -6.898 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.056 -1.273 -6.109 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.789 -3.001 -5.991 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.295 -2.869 -8.611 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.734 -1.225 -8.379 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.817 -2.579 -8.952 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.662 -2.123 -7.268 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.082 -4.485 -7.544 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.530 -4.339 -6.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.589 -6.074 -8.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.882 -4.974 -8.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.610 -4.831 -9.489 1.00 0.00 H new ATOM 698 N LEU A 46 -7.499 -1.061 -4.722 1.00 0.00 N ATOM 699 CA LEU A 46 -7.998 -0.768 -3.363 1.00 0.00 C ATOM 700 C LEU A 46 -9.398 -1.361 -3.134 1.00 0.00 C ATOM 701 O LEU A 46 -9.823 -1.610 -1.976 1.00 0.00 O ATOM 702 CB LEU A 46 -8.023 0.741 -3.129 1.00 0.00 C ATOM 703 CG LEU A 46 -6.671 1.462 -3.241 1.00 0.00 C ATOM 704 CD1 LEU A 46 -6.838 2.958 -3.059 1.00 0.00 C ATOM 705 CD2 LEU A 46 -5.666 0.903 -2.239 1.00 0.00 C ATOM 0 H LEU A 46 -7.311 -0.230 -5.284 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.318 -1.234 -2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.712 1.189 -3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.431 0.928 -2.136 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.280 1.284 -4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.867 3.445 -3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.506 3.346 -3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.262 3.160 -2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.718 1.432 -2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.049 1.036 -1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.512 -0.159 -2.432 1.00 0.00 H new ATOM 717 N LYS A 47 -10.105 -1.563 -4.221 1.00 0.00 N ATOM 718 CA LYS A 47 -11.402 -2.173 -4.214 1.00 0.00 C ATOM 719 C LYS A 47 -11.265 -3.698 -4.245 1.00 0.00 C ATOM 720 O LYS A 47 -11.977 -4.403 -3.535 1.00 0.00 O ATOM 721 CB LYS A 47 -12.231 -1.659 -5.397 1.00 0.00 C ATOM 722 CG LYS A 47 -12.499 -0.152 -5.346 1.00 0.00 C ATOM 723 CD LYS A 47 -12.987 0.403 -6.688 1.00 0.00 C ATOM 724 CE LYS A 47 -14.334 -0.183 -7.095 1.00 0.00 C ATOM 725 NZ LYS A 47 -14.809 0.357 -8.387 1.00 0.00 N ATOM 0 H LYS A 47 -9.782 -1.300 -5.152 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.925 -1.902 -3.296 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.711 -1.896 -6.325 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.183 -2.189 -5.421 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.244 0.055 -4.578 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.586 0.366 -5.052 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.069 1.488 -6.623 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.249 0.185 -7.460 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.251 -1.268 -7.165 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.071 0.031 -6.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.728 -0.069 -8.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.914 1.389 -8.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.120 0.131 -9.132 1.00 0.00 H new ATOM 739 N ALA A 48 -10.309 -4.190 -5.026 1.00 0.00 N ATOM 740 CA ALA A 48 -10.048 -5.633 -5.160 1.00 0.00 C ATOM 741 C ALA A 48 -9.372 -6.187 -3.901 1.00 0.00 C ATOM 742 O ALA A 48 -9.286 -7.393 -3.692 1.00 0.00 O ATOM 743 CB ALA A 48 -9.209 -5.922 -6.396 1.00 0.00 C ATOM 0 H ALA A 48 -9.689 -3.606 -5.587 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.007 -6.137 -5.278 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.030 -6.995 -6.472 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.739 -5.579 -7.284 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.255 -5.400 -6.319 1.00 0.00 H new ATOM 749 N LEU A 49 -8.888 -5.281 -3.080 1.00 0.00 N ATOM 750 CA LEU A 49 -8.357 -5.600 -1.763 1.00 0.00 C ATOM 751 C LEU A 49 -9.502 -5.884 -0.782 1.00 0.00 C ATOM 752 O LEU A 49 -9.277 -6.048 0.398 1.00 0.00 O ATOM 753 CB LEU A 49 -7.487 -4.437 -1.228 1.00 0.00 C ATOM 754 CG LEU A 49 -5.944 -4.511 -1.425 1.00 0.00 C ATOM 755 CD1 LEU A 49 -5.353 -5.677 -0.683 1.00 0.00 C ATOM 756 CD2 LEU A 49 -5.547 -4.589 -2.881 1.00 0.00 C ATOM 0 H LEU A 49 -8.849 -4.287 -3.307 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.735 -6.490 -1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.837 -3.518 -1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.681 -4.343 -0.159 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.545 -3.583 -1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.275 -5.700 -0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.561 -5.574 0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.794 -6.604 -1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.461 -4.639 -2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.985 -5.481 -3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.909 -3.704 -3.405 1.00 0.00 H new ATOM 768 N GLY A 50 -10.744 -5.863 -1.290 1.00 0.00 N ATOM 769 CA GLY A 50 -11.924 -6.165 -0.486 1.00 0.00 C ATOM 770 C GLY A 50 -12.134 -5.173 0.622 1.00 0.00 C ATOM 771 O GLY A 50 -12.839 -5.439 1.590 1.00 0.00 O ATOM 0 H GLY A 50 -10.951 -5.637 -2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.804 -6.178 -1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.824 -7.164 -0.061 1.00 0.00 H new ATOM 775 N MET A 51 -11.524 -4.037 0.478 1.00 0.00 N ATOM 776 CA MET A 51 -11.569 -3.031 1.480 1.00 0.00 C ATOM 777 C MET A 51 -12.498 -1.930 1.120 1.00 0.00 C ATOM 778 O MET A 51 -13.468 -1.702 1.812 1.00 0.00 O ATOM 779 CB MET A 51 -10.201 -2.503 1.725 1.00 0.00 C ATOM 780 CG MET A 51 -9.297 -3.467 2.468 1.00 0.00 C ATOM 781 SD MET A 51 -9.924 -3.872 4.101 1.00 0.00 S ATOM 782 CE MET A 51 -8.787 -5.175 4.570 1.00 0.00 C ATOM 0 H MET A 51 -10.978 -3.785 -0.346 1.00 0.00 H new ATOM 0 HA MET A 51 -11.950 -3.485 2.395 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.742 -2.253 0.769 1.00 0.00 H new ATOM 0 HB3 MET A 51 -10.276 -1.577 2.295 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.189 -4.382 1.886 1.00 0.00 H new ATOM 0 HG3 MET A 51 -8.303 -3.030 2.561 1.00 0.00 H new ATOM 0 HE1 MET A 51 -8.899 -5.391 5.633 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.005 -6.073 3.992 1.00 0.00 H new ATOM 0 HE3 MET A 51 -7.764 -4.855 4.371 1.00 0.00 H new ATOM 792 N THR A 52 -12.181 -1.225 0.022 1.00 0.00 N ATOM 793 CA THR A 52 -13.011 -0.141 -0.544 1.00 0.00 C ATOM 794 C THR A 52 -13.271 0.998 0.482 1.00 0.00 C ATOM 795 O THR A 52 -14.193 1.808 0.323 1.00 0.00 O ATOM 796 CB THR A 52 -14.355 -0.733 -1.095 1.00 0.00 C ATOM 797 OG1 THR A 52 -15.236 -1.172 -0.028 1.00 0.00 O ATOM 798 CG2 THR A 52 -14.039 -1.937 -1.959 1.00 0.00 C ATOM 0 H THR A 52 -11.326 -1.393 -0.509 1.00 0.00 H new ATOM 0 HA THR A 52 -12.459 0.310 -1.369 1.00 0.00 H new ATOM 0 HB THR A 52 -14.856 0.054 -1.659 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.743 -1.185 0.819 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.966 -2.358 -2.349 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.402 -1.632 -2.789 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.522 -2.688 -1.362 1.00 0.00 H new ATOM 806 N SER A 53 -12.394 1.074 1.466 1.00 0.00 N ATOM 807 CA SER A 53 -12.504 1.972 2.591 1.00 0.00 C ATOM 808 C SER A 53 -12.504 3.431 2.137 1.00 0.00 C ATOM 809 O SER A 53 -11.544 3.896 1.531 1.00 0.00 O ATOM 810 CB SER A 53 -11.344 1.683 3.536 1.00 0.00 C ATOM 811 OG SER A 53 -11.385 2.465 4.704 1.00 0.00 O ATOM 0 H SER A 53 -11.558 0.490 1.501 1.00 0.00 H new ATOM 0 HA SER A 53 -13.451 1.810 3.107 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.359 0.628 3.810 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.404 1.864 3.016 1.00 0.00 H new ATOM 0 HG SER A 53 -10.565 2.998 4.770 1.00 0.00 H new ATOM 817 N SER A 54 -13.593 4.122 2.431 1.00 0.00 N ATOM 818 CA SER A 54 -13.829 5.496 2.022 1.00 0.00 C ATOM 819 C SER A 54 -12.682 6.467 2.413 1.00 0.00 C ATOM 820 O SER A 54 -12.303 7.323 1.613 1.00 0.00 O ATOM 821 CB SER A 54 -15.165 5.944 2.600 1.00 0.00 C ATOM 822 OG SER A 54 -16.171 4.972 2.294 1.00 0.00 O ATOM 0 H SER A 54 -14.360 3.730 2.977 1.00 0.00 H new ATOM 0 HA SER A 54 -13.858 5.527 0.933 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.082 6.069 3.680 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.444 6.914 2.188 1.00 0.00 H new ATOM 0 HG SER A 54 -17.030 5.261 2.668 1.00 0.00 H new ATOM 828 N GLN A 55 -12.128 6.323 3.626 1.00 0.00 N ATOM 829 CA GLN A 55 -11.002 7.169 4.045 1.00 0.00 C ATOM 830 C GLN A 55 -9.798 6.873 3.200 1.00 0.00 C ATOM 831 O GLN A 55 -9.179 7.760 2.596 1.00 0.00 O ATOM 832 CB GLN A 55 -10.592 6.896 5.500 1.00 0.00 C ATOM 833 CG GLN A 55 -9.280 7.587 5.875 1.00 0.00 C ATOM 834 CD GLN A 55 -8.696 7.134 7.188 1.00 0.00 C ATOM 835 OE1 GLN A 55 -8.988 7.704 8.237 1.00 0.00 O ATOM 836 NE2 GLN A 55 -7.868 6.107 7.152 1.00 0.00 N ATOM 0 H GLN A 55 -12.434 5.643 4.322 1.00 0.00 H new ATOM 0 HA GLN A 55 -11.331 8.202 3.938 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.383 7.237 6.168 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.489 5.821 5.650 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.550 7.409 5.085 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.448 8.663 5.917 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.649 5.659 6.262 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.447 5.761 8.014 1.00 0.00 H new ATOM 845 N ASP A 56 -9.498 5.618 3.144 1.00 0.00 N ATOM 846 CA ASP A 56 -8.294 5.143 2.563 1.00 0.00 C ATOM 847 C ASP A 56 -8.266 5.390 1.092 1.00 0.00 C ATOM 848 O ASP A 56 -7.253 5.794 0.563 1.00 0.00 O ATOM 849 CB ASP A 56 -8.085 3.702 2.930 1.00 0.00 C ATOM 850 CG ASP A 56 -8.058 3.539 4.446 1.00 0.00 C ATOM 851 OD1 ASP A 56 -7.310 4.266 5.120 1.00 0.00 O ATOM 852 OD2 ASP A 56 -8.826 2.714 4.981 1.00 0.00 O ATOM 0 H ASP A 56 -10.099 4.880 3.510 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.451 5.703 2.968 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.883 3.093 2.506 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.149 3.343 2.502 1.00 0.00 H new ATOM 857 N ARG A 57 -9.413 5.277 0.453 1.00 0.00 N ATOM 858 CA ARG A 57 -9.564 5.572 -0.972 1.00 0.00 C ATOM 859 C ARG A 57 -9.168 7.011 -1.317 1.00 0.00 C ATOM 860 O ARG A 57 -8.991 7.342 -2.485 1.00 0.00 O ATOM 861 CB ARG A 57 -10.985 5.271 -1.436 1.00 0.00 C ATOM 862 CG ARG A 57 -11.265 3.792 -1.613 1.00 0.00 C ATOM 863 CD ARG A 57 -10.597 3.257 -2.872 1.00 0.00 C ATOM 864 NE ARG A 57 -11.256 3.749 -4.093 1.00 0.00 N ATOM 865 CZ ARG A 57 -10.735 4.597 -4.996 1.00 0.00 C ATOM 866 NH1 ARG A 57 -9.573 5.209 -4.769 1.00 0.00 N ATOM 867 NH2 ARG A 57 -11.398 4.854 -6.108 1.00 0.00 N ATOM 0 H ARG A 57 -10.277 4.976 0.904 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.875 4.919 -1.509 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -11.689 5.681 -0.712 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -11.165 5.782 -2.382 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.903 3.243 -0.744 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.341 3.626 -1.669 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.548 3.553 -2.881 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.620 2.167 -2.861 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.202 3.413 -4.271 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.067 5.036 -3.901 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.190 5.850 -5.464 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.300 4.410 -6.278 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.008 5.497 -6.797 1.00 0.00 H new ATOM 881 N ALA A 58 -9.047 7.847 -0.313 1.00 0.00 N ATOM 882 CA ALA A 58 -8.564 9.188 -0.496 1.00 0.00 C ATOM 883 C ALA A 58 -7.136 9.342 0.067 1.00 0.00 C ATOM 884 O ALA A 58 -6.302 10.045 -0.514 1.00 0.00 O ATOM 885 CB ALA A 58 -9.511 10.182 0.145 1.00 0.00 C ATOM 0 H ALA A 58 -9.281 7.613 0.652 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.523 9.395 -1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.131 11.193 -0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.496 10.094 -0.313 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.588 9.975 1.212 1.00 0.00 H new ATOM 891 N LEU A 59 -6.843 8.656 1.163 1.00 0.00 N ATOM 892 CA LEU A 59 -5.542 8.798 1.818 1.00 0.00 C ATOM 893 C LEU A 59 -4.429 7.979 1.174 1.00 0.00 C ATOM 894 O LEU A 59 -3.399 8.541 0.771 1.00 0.00 O ATOM 895 CB LEU A 59 -5.581 8.490 3.304 1.00 0.00 C ATOM 896 CG LEU A 59 -4.231 8.705 4.004 1.00 0.00 C ATOM 897 CD1 LEU A 59 -3.750 10.132 3.829 1.00 0.00 C ATOM 898 CD2 LEU A 59 -4.287 8.346 5.459 1.00 0.00 C ATOM 0 H LEU A 59 -7.479 8.000 1.617 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.309 9.854 1.681 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.333 9.120 3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.895 7.456 3.446 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.516 8.034 3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.792 10.258 4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.631 10.348 2.767 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.480 10.817 4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.310 8.514 5.913 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.031 8.967 5.959 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.560 7.296 5.564 1.00 0.00 H new ATOM 910 N VAL A 60 -4.605 6.658 1.081 1.00 0.00 N ATOM 911 CA VAL A 60 -3.575 5.802 0.479 1.00 0.00 C ATOM 912 C VAL A 60 -3.343 6.197 -0.982 1.00 0.00 C ATOM 913 O VAL A 60 -2.266 6.039 -1.519 1.00 0.00 O ATOM 914 CB VAL A 60 -3.868 4.262 0.620 1.00 0.00 C ATOM 915 CG1 VAL A 60 -5.185 3.863 0.046 1.00 0.00 C ATOM 916 CG2 VAL A 60 -2.796 3.463 -0.033 1.00 0.00 C ATOM 0 H VAL A 60 -5.435 6.163 1.408 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.659 5.973 1.045 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.895 4.058 1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.328 2.790 0.174 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.983 4.399 0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.208 4.108 -1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.017 2.401 0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.746 3.717 -1.092 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.839 3.685 0.439 1.00 0.00 H new ATOM 926 N LYS A 61 -4.330 6.860 -1.539 1.00 0.00 N ATOM 927 CA LYS A 61 -4.296 7.316 -2.926 1.00 0.00 C ATOM 928 C LYS A 61 -3.303 8.432 -3.091 1.00 0.00 C ATOM 929 O LYS A 61 -2.745 8.637 -4.161 1.00 0.00 O ATOM 930 CB LYS A 61 -5.672 7.772 -3.405 1.00 0.00 C ATOM 931 CG LYS A 61 -6.424 6.754 -4.254 1.00 0.00 C ATOM 932 CD LYS A 61 -5.671 6.413 -5.548 1.00 0.00 C ATOM 933 CE LYS A 61 -5.391 7.646 -6.426 1.00 0.00 C ATOM 934 NZ LYS A 61 -6.623 8.303 -6.924 1.00 0.00 N ATOM 0 H LYS A 61 -5.189 7.104 -1.046 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.989 6.468 -3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.281 8.019 -2.535 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.555 8.689 -3.982 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.580 5.844 -3.675 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.410 7.147 -4.502 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.726 5.932 -5.296 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.253 5.691 -6.121 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.809 8.367 -5.852 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.778 7.346 -7.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.367 9.125 -7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.169 7.628 -7.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.199 8.618 -6.117 1.00 0.00 H new ATOM 948 N LYS A 62 -3.078 9.126 -2.020 1.00 0.00 N ATOM 949 CA LYS A 62 -2.132 10.195 -2.000 1.00 0.00 C ATOM 950 C LYS A 62 -0.775 9.635 -1.690 1.00 0.00 C ATOM 951 O LYS A 62 0.207 9.972 -2.326 1.00 0.00 O ATOM 952 CB LYS A 62 -2.546 11.269 -0.973 1.00 0.00 C ATOM 953 CG LYS A 62 -1.463 12.293 -0.668 1.00 0.00 C ATOM 954 CD LYS A 62 -1.965 13.419 0.218 1.00 0.00 C ATOM 955 CE LYS A 62 -0.818 14.316 0.689 1.00 0.00 C ATOM 956 NZ LYS A 62 0.046 14.782 -0.422 1.00 0.00 N ATOM 0 H LYS A 62 -3.549 8.965 -1.130 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.102 10.679 -2.976 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.428 11.790 -1.345 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.835 10.776 -0.045 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.624 11.797 -0.180 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.087 12.710 -1.602 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.694 14.016 -0.329 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.480 13.001 1.083 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.230 15.181 1.209 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.210 13.770 1.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.444 15.713 -0.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.819 14.102 -0.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.518 14.858 -1.292 1.00 0.00 H new ATOM 970 N LYS A 63 -0.754 8.708 -0.778 1.00 0.00 N ATOM 971 CA LYS A 63 0.473 8.157 -0.305 1.00 0.00 C ATOM 972 C LYS A 63 1.145 7.313 -1.350 1.00 0.00 C ATOM 973 O LYS A 63 2.311 7.441 -1.549 1.00 0.00 O ATOM 974 CB LYS A 63 0.259 7.331 0.928 1.00 0.00 C ATOM 975 CG LYS A 63 1.292 7.606 2.006 1.00 0.00 C ATOM 976 CD LYS A 63 1.131 8.994 2.598 1.00 0.00 C ATOM 977 CE LYS A 63 -0.224 9.183 3.296 1.00 0.00 C ATOM 978 NZ LYS A 63 -0.281 10.497 3.971 1.00 0.00 N ATOM 0 H LYS A 63 -1.589 8.315 -0.344 1.00 0.00 H new ATOM 0 HA LYS A 63 1.119 9.002 -0.066 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.736 7.530 1.325 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.290 6.274 0.662 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.200 6.861 2.796 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.292 7.504 1.586 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.933 9.175 3.314 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.235 9.737 1.807 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.029 9.108 2.565 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.379 8.387 4.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.518 10.362 4.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.643 10.967 3.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.009 11.088 3.520 1.00 0.00 H new ATOM 992 N LEU A 64 0.384 6.484 -2.040 1.00 0.00 N ATOM 993 CA LEU A 64 0.946 5.545 -3.014 1.00 0.00 C ATOM 994 C LEU A 64 1.662 6.269 -4.152 1.00 0.00 C ATOM 995 O LEU A 64 2.648 5.774 -4.698 1.00 0.00 O ATOM 996 CB LEU A 64 -0.150 4.576 -3.532 1.00 0.00 C ATOM 997 CG LEU A 64 -1.246 5.129 -4.478 1.00 0.00 C ATOM 998 CD1 LEU A 64 -0.787 5.146 -5.935 1.00 0.00 C ATOM 999 CD2 LEU A 64 -2.535 4.346 -4.324 1.00 0.00 C ATOM 0 H LEU A 64 -0.631 6.436 -1.949 1.00 0.00 H new ATOM 0 HA LEU A 64 1.704 4.946 -2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.350 3.757 -4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.649 4.147 -2.663 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.435 6.163 -4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.585 5.541 -6.563 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.096 5.778 -6.031 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.544 4.132 -6.252 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.290 4.752 -4.998 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.356 3.299 -4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.887 4.424 -3.295 1.00 0.00 H new ATOM 1011 N LYS A 65 1.206 7.460 -4.471 1.00 0.00 N ATOM 1012 CA LYS A 65 1.811 8.191 -5.572 1.00 0.00 C ATOM 1013 C LYS A 65 3.041 8.977 -5.143 1.00 0.00 C ATOM 1014 O LYS A 65 3.869 9.330 -5.960 1.00 0.00 O ATOM 1015 CB LYS A 65 0.800 9.062 -6.324 1.00 0.00 C ATOM 1016 CG LYS A 65 0.010 10.018 -5.460 1.00 0.00 C ATOM 1017 CD LYS A 65 -0.942 10.840 -6.297 1.00 0.00 C ATOM 1018 CE LYS A 65 -1.870 11.664 -5.428 1.00 0.00 C ATOM 1019 NZ LYS A 65 -2.774 12.502 -6.226 1.00 0.00 N ATOM 0 H LYS A 65 0.438 7.937 -4.000 1.00 0.00 H new ATOM 0 HA LYS A 65 2.157 7.439 -6.281 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.332 9.637 -7.082 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.102 8.410 -6.850 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.549 9.459 -4.709 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.692 10.678 -4.924 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.375 11.499 -6.954 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.529 10.181 -6.936 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.457 11.000 -4.794 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.279 12.297 -4.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.391 13.049 -5.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.215 13.154 -6.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.357 11.897 -6.840 1.00 0.00 H new ATOM 1033 N GLU A 66 3.177 9.220 -3.866 1.00 0.00 N ATOM 1034 CA GLU A 66 4.334 9.943 -3.375 1.00 0.00 C ATOM 1035 C GLU A 66 5.241 9.034 -2.550 1.00 0.00 C ATOM 1036 O GLU A 66 6.334 9.424 -2.145 1.00 0.00 O ATOM 1037 CB GLU A 66 3.905 11.183 -2.597 1.00 0.00 C ATOM 1038 CG GLU A 66 3.008 10.901 -1.412 1.00 0.00 C ATOM 1039 CD GLU A 66 2.481 12.169 -0.795 1.00 0.00 C ATOM 1040 OE1 GLU A 66 1.576 12.805 -1.368 1.00 0.00 O ATOM 1041 OE2 GLU A 66 2.975 12.567 0.276 1.00 0.00 O ATOM 0 H GLU A 66 2.511 8.934 -3.148 1.00 0.00 H new ATOM 0 HA GLU A 66 4.917 10.281 -4.231 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.797 11.703 -2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.387 11.861 -3.275 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.173 10.277 -1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.562 10.335 -0.663 1.00 0.00 H new ATOM 1048 N MET A 67 4.808 7.795 -2.356 1.00 0.00 N ATOM 1049 CA MET A 67 5.549 6.810 -1.578 1.00 0.00 C ATOM 1050 C MET A 67 6.824 6.471 -2.286 1.00 0.00 C ATOM 1051 O MET A 67 7.823 6.220 -1.667 1.00 0.00 O ATOM 1052 CB MET A 67 4.685 5.553 -1.278 1.00 0.00 C ATOM 1053 CG MET A 67 4.644 4.454 -2.336 1.00 0.00 C ATOM 1054 SD MET A 67 6.066 3.349 -2.240 1.00 0.00 S ATOM 1055 CE MET A 67 5.916 2.777 -0.539 1.00 0.00 C ATOM 0 H MET A 67 3.929 7.443 -2.735 1.00 0.00 H new ATOM 0 HA MET A 67 5.802 7.238 -0.608 1.00 0.00 H new ATOM 0 HB2 MET A 67 5.046 5.111 -0.349 1.00 0.00 H new ATOM 0 HB3 MET A 67 3.662 5.884 -1.098 1.00 0.00 H new ATOM 0 HG2 MET A 67 3.729 3.874 -2.217 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.607 4.909 -3.326 1.00 0.00 H new ATOM 0 HE1 MET A 67 6.286 1.755 -0.465 1.00 0.00 H new ATOM 0 HE2 MET A 67 6.501 3.423 0.115 1.00 0.00 H new ATOM 0 HE3 MET A 67 4.869 2.807 -0.236 1.00 0.00 H new ATOM 1065 N LYS A 68 6.797 6.587 -3.593 1.00 0.00 N ATOM 1066 CA LYS A 68 7.963 6.327 -4.424 1.00 0.00 C ATOM 1067 C LYS A 68 9.032 7.407 -4.262 1.00 0.00 C ATOM 1068 O LYS A 68 10.153 7.279 -4.752 1.00 0.00 O ATOM 1069 CB LYS A 68 7.542 6.153 -5.875 1.00 0.00 C ATOM 1070 CG LYS A 68 6.686 7.280 -6.441 1.00 0.00 C ATOM 1071 CD LYS A 68 6.197 6.934 -7.838 1.00 0.00 C ATOM 1072 CE LYS A 68 5.236 7.981 -8.373 1.00 0.00 C ATOM 1073 NZ LYS A 68 4.710 7.623 -9.701 1.00 0.00 N ATOM 0 H LYS A 68 5.967 6.865 -4.117 1.00 0.00 H new ATOM 0 HA LYS A 68 8.420 5.396 -4.089 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.438 6.056 -6.488 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.990 5.218 -5.967 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.833 7.460 -5.786 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.265 8.203 -6.471 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.050 6.846 -8.511 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.703 5.962 -7.820 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.407 8.102 -7.676 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.745 8.943 -8.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.059 8.365 -10.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.498 7.533 -10.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.201 6.718 -9.640 1.00 0.00 H new ATOM 1087 N MET A 69 8.675 8.468 -3.581 1.00 0.00 N ATOM 1088 CA MET A 69 9.601 9.515 -3.259 1.00 0.00 C ATOM 1089 C MET A 69 9.888 9.496 -1.759 1.00 0.00 C ATOM 1090 O MET A 69 10.895 10.014 -1.303 1.00 0.00 O ATOM 1091 CB MET A 69 8.986 10.861 -3.614 1.00 0.00 C ATOM 1092 CG MET A 69 8.397 10.912 -5.004 1.00 0.00 C ATOM 1093 SD MET A 69 7.799 12.551 -5.456 1.00 0.00 S ATOM 1094 CE MET A 69 9.315 13.502 -5.334 1.00 0.00 C ATOM 0 H MET A 69 7.729 8.626 -3.235 1.00 0.00 H new ATOM 0 HA MET A 69 10.523 9.363 -3.820 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.206 11.096 -2.890 1.00 0.00 H new ATOM 0 HB3 MET A 69 9.749 11.634 -3.524 1.00 0.00 H new ATOM 0 HG2 MET A 69 9.151 10.595 -5.724 1.00 0.00 H new ATOM 0 HG3 MET A 69 7.574 10.200 -5.070 1.00 0.00 H new ATOM 0 HE1 MET A 69 9.246 14.380 -5.976 1.00 0.00 H new ATOM 0 HE2 MET A 69 9.464 13.818 -4.302 1.00 0.00 H new ATOM 0 HE3 MET A 69 10.157 12.886 -5.650 1.00 0.00 H new ATOM 1104 N SER A 70 9.019 8.852 -1.009 1.00 0.00 N ATOM 1105 CA SER A 70 9.078 8.925 0.443 1.00 0.00 C ATOM 1106 C SER A 70 9.673 7.662 1.071 1.00 0.00 C ATOM 1107 O SER A 70 10.257 7.725 2.154 1.00 0.00 O ATOM 1108 CB SER A 70 7.667 9.190 1.001 1.00 0.00 C ATOM 1109 OG SER A 70 7.682 9.435 2.401 1.00 0.00 O ATOM 0 H SER A 70 8.264 8.272 -1.375 1.00 0.00 H new ATOM 0 HA SER A 70 9.743 9.748 0.707 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.230 10.047 0.488 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.028 8.333 0.790 1.00 0.00 H new ATOM 0 HG SER A 70 6.768 9.600 2.714 1.00 0.00 H new ATOM 1115 N LEU A 71 9.556 6.530 0.379 1.00 0.00 N ATOM 1116 CA LEU A 71 9.982 5.216 0.896 1.00 0.00 C ATOM 1117 C LEU A 71 11.431 5.194 1.384 1.00 0.00 C ATOM 1118 O LEU A 71 11.758 4.512 2.350 1.00 0.00 O ATOM 1119 CB LEU A 71 9.709 4.094 -0.145 1.00 0.00 C ATOM 1120 CG LEU A 71 10.591 3.963 -1.447 1.00 0.00 C ATOM 1121 CD1 LEU A 71 10.805 5.250 -2.206 1.00 0.00 C ATOM 1122 CD2 LEU A 71 11.893 3.225 -1.204 1.00 0.00 C ATOM 0 H LEU A 71 9.162 6.491 -0.561 1.00 0.00 H new ATOM 0 HA LEU A 71 9.373 5.021 1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 71 9.777 3.144 0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.674 4.204 -0.470 1.00 0.00 H new ATOM 0 HG LEU A 71 9.984 3.346 -2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 71 11.422 5.057 -3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.842 5.651 -2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 71 11.306 5.973 -1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 71 12.457 3.166 -2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 71 12.480 3.759 -0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.679 2.218 -0.845 1.00 0.00 H new ATOM 1134 N GLU A 72 12.265 5.967 0.733 1.00 0.00 N ATOM 1135 CA GLU A 72 13.659 6.061 1.057 1.00 0.00 C ATOM 1136 C GLU A 72 13.855 6.729 2.407 1.00 0.00 C ATOM 1137 O GLU A 72 14.704 6.328 3.208 1.00 0.00 O ATOM 1138 CB GLU A 72 14.371 6.870 -0.043 1.00 0.00 C ATOM 1139 CG GLU A 72 15.658 7.548 0.407 1.00 0.00 C ATOM 1140 CD GLU A 72 16.397 8.235 -0.707 1.00 0.00 C ATOM 1141 OE1 GLU A 72 17.184 7.577 -1.437 1.00 0.00 O ATOM 1142 OE2 GLU A 72 16.217 9.457 -0.889 1.00 0.00 O ATOM 0 H GLU A 72 11.985 6.557 -0.050 1.00 0.00 H new ATOM 0 HA GLU A 72 14.083 5.059 1.114 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.597 6.205 -0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.686 7.630 -0.418 1.00 0.00 H new ATOM 0 HG2 GLU A 72 15.423 8.279 1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 72 16.312 6.803 0.861 1.00 0.00 H new ATOM 1149 N LYS A 73 13.025 7.699 2.665 1.00 0.00 N ATOM 1150 CA LYS A 73 13.185 8.563 3.793 1.00 0.00 C ATOM 1151 C LYS A 73 12.534 7.930 5.038 1.00 0.00 C ATOM 1152 O LYS A 73 12.894 8.265 6.178 1.00 0.00 O ATOM 1153 CB LYS A 73 12.540 9.912 3.461 1.00 0.00 C ATOM 1154 CG LYS A 73 12.938 10.439 2.075 1.00 0.00 C ATOM 1155 CD LYS A 73 12.201 11.714 1.689 1.00 0.00 C ATOM 1156 CE LYS A 73 12.641 12.917 2.507 1.00 0.00 C ATOM 1157 NZ LYS A 73 14.051 13.281 2.262 1.00 0.00 N ATOM 0 H LYS A 73 12.210 7.912 2.090 1.00 0.00 H new ATOM 0 HA LYS A 73 14.242 8.712 4.012 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.456 9.812 3.509 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.826 10.642 4.218 1.00 0.00 H new ATOM 0 HG2 LYS A 73 14.011 10.627 2.059 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.738 9.670 1.329 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.367 11.919 0.631 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.129 11.563 1.820 1.00 0.00 H new ATOM 0 HE2 LYS A 73 12.003 13.768 2.269 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.503 12.702 3.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 14.237 14.229 2.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 14.674 12.590 2.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.237 13.282 1.239 1.00 0.00 H new ATOM 1171 N ALA A 74 11.594 7.015 4.779 1.00 0.00 N ATOM 1172 CA ALA A 74 10.852 6.248 5.788 1.00 0.00 C ATOM 1173 C ALA A 74 9.956 7.150 6.632 1.00 0.00 C ATOM 1174 O ALA A 74 10.218 7.344 7.823 1.00 0.00 O ATOM 1175 CB ALA A 74 11.790 5.404 6.661 1.00 0.00 C ATOM 1176 OXT ALA A 74 8.982 7.709 6.084 1.00 0.00 O ATOM 0 H ALA A 74 11.318 6.779 3.826 1.00 0.00 H new ATOM 0 HA ALA A 74 10.201 5.556 5.253 1.00 0.00 H new ATOM 0 HB1 ALA A 74 11.204 4.851 7.395 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.339 4.703 6.033 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.494 6.058 7.176 1.00 0.00 H new TER 1182 ALA A 74