USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1087 hydrogens (9 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 NoAdj-H: B 512 PTR HN2 : B 512 PTR N : B 511 GLN C :(H bumps) USER MOD NoAdj-H: B 512 PTR H : B 512 PTR N : B 511 GLN C :(H bumps) USER MOD Set 1.1: A 69 SER OG : rot -69:sc= 2.24 USER MOD Set 1.2: A 70 ASN : amide:sc= -0.4 K(o=1.5,f=-1.8!) USER MOD Set 1.3: B 501 MET CE :methyl 155:sc= -1.56! (180deg=-2.29!) USER MOD Set 1.4: B 502 THR OG1 : rot -143:sc= 1.18 USER MOD Set 2.1: A 99 ASN : amide:sc= -0.0731 X(o=-7.3,f=-7.6!) USER MOD Set 2.2: A 102 GLN : amide:sc= -7.26! C(o=-7.3!,f=-11!) USER MOD Set 3.1: A 76 SER OG : rot 171:sc= 1.22 USER MOD Set 3.2: A 80 CYS SG : rot -67:sc= -0.424! USER MOD Set 4.1: A 54 SER OG : rot 42:sc= 0.619 USER MOD Set 4.2: A 56 LYS NZ :NH3+ -109:sc= -0.163 (180deg=-2.22!) USER MOD Set 5.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 58 HIS : no HD1:sc= -4.84! C(o=-4.8!,f=-13!) USER MOD Single : A 8 SER OG : rot 28:sc= 0.0281 USER MOD Single : A 9 HIS : no HD1:sc= -0.309 X(o=-0.31,f=-0.32) USER MOD Single : A 10 MET CE :methyl 160:sc= -0.212 (180deg=-0.877) USER MOD Single : A 12 THR OG1 : rot 84:sc= -0.808 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HD1:sc= -5.9! C(o=-5.9!,f=-10!) USER MOD Single : A 19 ASN : amide:sc= -0.533 K(o=-0.53,f=-3.1!) USER MOD Single : A 20 LYS NZ :NH3+ 143:sc= 0.978 (180deg=-0.178) USER MOD Single : A 22 LYS NZ :NH3+ 142:sc= 0.666 (180deg=0.139) USER MOD Single : A 25 ASN : amide:sc= 1.07 K(o=1.1,f=-0.36) USER MOD Single : A 31 ASN : amide:sc=-0.00696 K(o=-0.007,f=-1.6) USER MOD Single : A 35 SER OG : rot 41:sc= 0.0439 USER MOD Single : A 38 MET CE :methyl 162:sc= -11.1! (180deg=-13.9!) USER MOD Single : A 41 THR OG1 : rot -75:sc= 1.35 USER MOD Single : A 48 TYR OH : rot 51:sc= 1.28 USER MOD Single : A 49 THR OG1 : rot -80:sc= -1.97! USER MOD Single : A 51 LYS NZ :NH3+ 142:sc= 0.825 (180deg=-1.36) USER MOD Single : A 59 TYR OH : rot 77:sc= -1.96! USER MOD Single : A 61 CYS SG : rot 49:sc= -3.11! USER MOD Single : A 65 TYR OH : rot -87:sc= 0.388 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 60:sc= -3.61! USER MOD Single : A 81 GLN : amide:sc= -2.69! C(o=-2.7!,f=-5.9!) USER MOD Single : A 82 THR OG1 : rot -17:sc= 1.14 USER MOD Single : A 84 GLN : amide:sc= -0.764 K(o=-0.76,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -151:sc= -1.21 (180deg=-3.22!) USER MOD Single : A 91 CYS SG : rot 65:sc= -5.04! USER MOD Single : A 100 MET CE :methyl -171:sc= -5.32! (180deg=-5.65!) USER MOD Single : A 105 MET CE :methyl -115:sc= -4.72! (180deg=-8.79!) USER MOD Single : A 106 GLN : amide:sc= -2.85! K(o=-2.8!,f=-1.2) USER MOD Single : A 107 ASN : amide:sc= 0.82 K(o=0.82,f=-0.16) USER MOD Single : A 108 ASN : amide:sc= -4.08! C(o=-4.1!,f=-3.6!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 ASN : amide:sc= -0.475 K(o=-0.47,f=-3.6!) USER MOD Single : A 122 ASN : amide:sc=-0.00848 X(o=-0.0085,f=0) USER MOD Single : B 503 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 509 ASN : amide:sc= -6.67! C(o=-6.7!,f=-5!) USER MOD Single : B 511 GLN : amide:sc= -1.81! C(o=-1.8!,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 8 7.489 20.652 15.053 1.00 0.00 N ATOM 2 CA SER A 8 6.098 21.024 15.377 1.00 0.00 C ATOM 3 C SER A 8 5.104 20.247 14.518 1.00 0.00 C ATOM 4 O SER A 8 4.008 19.917 14.976 1.00 0.00 O ATOM 5 CB SER A 8 5.898 22.530 15.195 1.00 0.00 C ATOM 6 OG SER A 8 6.710 23.262 16.101 1.00 0.00 O ATOM 0 HA SER A 8 5.912 20.766 16.420 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.143 22.812 14.171 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.850 22.784 15.353 1.00 0.00 H new ATOM 0 HG SER A 8 7.510 22.740 16.318 1.00 0.00 H new ATOM 14 N HIS A 9 5.476 19.941 13.276 1.00 0.00 N ATOM 15 CA HIS A 9 4.587 19.186 12.405 1.00 0.00 C ATOM 16 C HIS A 9 5.334 18.102 11.632 1.00 0.00 C ATOM 17 O HIS A 9 6.067 18.380 10.684 1.00 0.00 O ATOM 18 CB HIS A 9 3.804 20.106 11.458 1.00 0.00 C ATOM 19 CG HIS A 9 4.597 20.792 10.386 1.00 0.00 C ATOM 20 ND1 HIS A 9 4.354 20.598 9.045 1.00 0.00 N ATOM 21 CD2 HIS A 9 5.617 21.678 10.452 1.00 0.00 C ATOM 22 CE1 HIS A 9 5.189 21.326 8.337 1.00 0.00 C ATOM 23 NE2 HIS A 9 5.969 21.997 9.163 1.00 0.00 N ATOM 0 H HIS A 9 6.370 20.200 12.859 1.00 0.00 H new ATOM 0 HA HIS A 9 3.864 18.686 13.049 1.00 0.00 H new ATOM 0 HB2 HIS A 9 3.021 19.517 10.980 1.00 0.00 H new ATOM 0 HB3 HIS A 9 3.308 20.870 12.057 1.00 0.00 H new ATOM 0 HD2 HIS A 9 6.071 22.064 11.353 1.00 0.00 H new ATOM 0 HE1 HIS A 9 5.230 21.368 7.259 1.00 0.00 H new ATOM 0 HE2 HIS A 9 6.709 22.644 8.890 1.00 0.00 H new ATOM 32 N MET A 10 5.165 16.865 12.067 1.00 0.00 N ATOM 33 CA MET A 10 5.711 15.718 11.352 1.00 0.00 C ATOM 34 C MET A 10 4.606 14.718 11.073 1.00 0.00 C ATOM 35 O MET A 10 4.495 14.186 9.969 1.00 0.00 O ATOM 36 CB MET A 10 6.829 15.042 12.148 1.00 0.00 C ATOM 37 CG MET A 10 8.110 15.854 12.231 1.00 0.00 C ATOM 38 SD MET A 10 9.439 14.967 13.069 1.00 0.00 S ATOM 39 CE MET A 10 9.646 13.551 11.989 1.00 0.00 C ATOM 0 H MET A 10 4.652 16.626 12.916 1.00 0.00 H new ATOM 0 HA MET A 10 6.134 16.075 10.413 1.00 0.00 H new ATOM 0 HB2 MET A 10 6.472 14.843 13.158 1.00 0.00 H new ATOM 0 HB3 MET A 10 7.052 14.077 11.693 1.00 0.00 H new ATOM 0 HG2 MET A 10 8.433 16.120 11.225 1.00 0.00 H new ATOM 0 HG3 MET A 10 7.911 16.787 12.759 1.00 0.00 H new ATOM 0 HE1 MET A 10 10.628 13.108 12.154 1.00 0.00 H new ATOM 0 HE2 MET A 10 8.874 12.812 12.206 1.00 0.00 H new ATOM 0 HE3 MET A 10 9.561 13.870 10.950 1.00 0.00 H new ATOM 49 N ASP A 11 3.779 14.483 12.079 1.00 0.00 N ATOM 50 CA ASP A 11 2.660 13.565 11.955 1.00 0.00 C ATOM 51 C ASP A 11 1.367 14.253 12.366 1.00 0.00 C ATOM 52 O ASP A 11 0.358 13.598 12.616 1.00 0.00 O ATOM 53 CB ASP A 11 2.880 12.311 12.803 1.00 0.00 C ATOM 54 CG ASP A 11 2.886 12.603 14.289 1.00 0.00 C ATOM 55 OD1 ASP A 11 3.924 13.057 14.807 1.00 0.00 O ATOM 56 OD2 ASP A 11 1.847 12.388 14.949 1.00 0.00 O ATOM 0 H ASP A 11 3.864 14.919 12.997 1.00 0.00 H new ATOM 0 HA ASP A 11 2.586 13.261 10.911 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.096 11.586 12.583 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.828 11.850 12.524 1.00 0.00 H new ATOM 61 N THR A 12 1.399 15.580 12.426 1.00 0.00 N ATOM 62 CA THR A 12 0.194 16.369 12.655 1.00 0.00 C ATOM 63 C THR A 12 -0.568 16.460 11.344 1.00 0.00 C ATOM 64 O THR A 12 -0.865 17.543 10.837 1.00 0.00 O ATOM 65 CB THR A 12 0.530 17.784 13.162 1.00 0.00 C ATOM 66 OG1 THR A 12 1.540 18.375 12.338 1.00 0.00 O ATOM 67 CG2 THR A 12 0.999 17.761 14.600 1.00 0.00 C ATOM 0 H THR A 12 2.249 16.133 12.319 1.00 0.00 H new ATOM 0 HA THR A 12 -0.409 15.883 13.422 1.00 0.00 H new ATOM 0 HB THR A 12 -0.382 18.379 13.110 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.123 18.779 11.548 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.227 18.776 14.925 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.214 17.346 15.232 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.894 17.144 14.681 1.00 0.00 H new ATOM 75 N VAL A 13 -0.862 15.297 10.801 1.00 0.00 N ATOM 76 CA VAL A 13 -1.291 15.173 9.433 1.00 0.00 C ATOM 77 C VAL A 13 -2.770 15.495 9.283 1.00 0.00 C ATOM 78 O VAL A 13 -3.587 15.182 10.151 1.00 0.00 O ATOM 79 CB VAL A 13 -0.957 13.763 8.915 1.00 0.00 C ATOM 80 CG1 VAL A 13 -2.142 12.815 8.996 1.00 0.00 C ATOM 81 CG2 VAL A 13 -0.384 13.834 7.518 1.00 0.00 C ATOM 0 H VAL A 13 -0.808 14.410 11.302 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.753 15.901 8.826 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.196 13.345 9.573 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.851 11.835 8.618 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.464 12.723 10.033 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.963 13.206 8.395 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.154 12.828 7.168 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.112 14.293 6.849 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.527 14.432 7.528 1.00 0.00 H new ATOM 91 N PRO A 14 -3.111 16.161 8.179 1.00 0.00 N ATOM 92 CA PRO A 14 -4.484 16.552 7.874 1.00 0.00 C ATOM 93 C PRO A 14 -5.375 15.344 7.623 1.00 0.00 C ATOM 94 O PRO A 14 -4.939 14.338 7.045 1.00 0.00 O ATOM 95 CB PRO A 14 -4.351 17.387 6.592 1.00 0.00 C ATOM 96 CG PRO A 14 -2.899 17.701 6.463 1.00 0.00 C ATOM 97 CD PRO A 14 -2.173 16.589 7.138 1.00 0.00 C ATOM 0 HA PRO A 14 -4.945 17.093 8.700 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.710 16.833 5.725 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.945 18.299 6.656 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -2.608 17.776 5.415 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.665 18.658 6.928 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.943 15.779 6.446 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.227 16.925 7.562 1.00 0.00 H new ATOM 105 N ASP A 15 -6.621 15.455 8.076 1.00 0.00 N ATOM 106 CA ASP A 15 -7.637 14.429 7.857 1.00 0.00 C ATOM 107 C ASP A 15 -7.730 14.075 6.381 1.00 0.00 C ATOM 108 O ASP A 15 -8.007 12.928 6.022 1.00 0.00 O ATOM 109 CB ASP A 15 -8.998 14.911 8.365 1.00 0.00 C ATOM 110 CG ASP A 15 -10.099 13.890 8.150 1.00 0.00 C ATOM 111 OD1 ASP A 15 -10.252 12.988 8.995 1.00 0.00 O ATOM 112 OD2 ASP A 15 -10.828 13.991 7.141 1.00 0.00 O ATOM 0 H ASP A 15 -6.955 16.260 8.606 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.347 13.537 8.413 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.924 15.141 9.428 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.263 15.838 7.856 1.00 0.00 H new ATOM 117 N ASN A 16 -7.494 15.061 5.526 1.00 0.00 N ATOM 118 CA ASN A 16 -7.417 14.816 4.099 1.00 0.00 C ATOM 119 C ASN A 16 -6.274 15.600 3.456 1.00 0.00 C ATOM 120 O ASN A 16 -6.131 16.809 3.637 1.00 0.00 O ATOM 121 CB ASN A 16 -8.751 15.120 3.403 1.00 0.00 C ATOM 122 CG ASN A 16 -9.234 16.543 3.600 1.00 0.00 C ATOM 123 OD1 ASN A 16 -9.949 16.841 4.555 1.00 0.00 O ATOM 124 ND2 ASN A 16 -8.876 17.424 2.685 1.00 0.00 N ATOM 0 H ASN A 16 -7.353 16.034 5.798 1.00 0.00 H new ATOM 0 HA ASN A 16 -7.207 13.755 3.966 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -8.645 14.927 2.335 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -9.510 14.433 3.778 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.194 18.391 2.756 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.281 17.138 1.907 1.00 0.00 H new ATOM 131 N HIS A 17 -5.443 14.865 2.741 1.00 0.00 N ATOM 132 CA HIS A 17 -4.380 15.417 1.912 1.00 0.00 C ATOM 133 C HIS A 17 -4.083 14.370 0.852 1.00 0.00 C ATOM 134 O HIS A 17 -4.574 13.258 0.987 1.00 0.00 O ATOM 135 CB HIS A 17 -3.116 15.797 2.731 1.00 0.00 C ATOM 136 CG HIS A 17 -2.375 14.658 3.391 1.00 0.00 C ATOM 137 ND1 HIS A 17 -1.437 13.889 2.737 1.00 0.00 N ATOM 138 CD2 HIS A 17 -2.419 14.175 4.661 1.00 0.00 C ATOM 139 CE1 HIS A 17 -0.951 12.986 3.566 1.00 0.00 C ATOM 140 NE2 HIS A 17 -1.529 13.131 4.735 1.00 0.00 N ATOM 0 H HIS A 17 -5.486 13.846 2.718 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.698 16.355 1.458 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -2.424 16.317 2.069 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.411 16.506 3.504 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.040 14.544 5.464 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -0.201 12.248 3.323 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -1.348 12.562 5.562 1.00 0.00 H new ATOM 149 N ARG A 18 -3.312 14.703 -0.184 1.00 0.00 N ATOM 150 CA ARG A 18 -3.092 13.784 -1.315 1.00 0.00 C ATOM 151 C ARG A 18 -2.821 12.368 -0.853 1.00 0.00 C ATOM 152 O ARG A 18 -3.545 11.443 -1.186 1.00 0.00 O ATOM 153 CB ARG A 18 -1.916 14.223 -2.173 1.00 0.00 C ATOM 154 CG ARG A 18 -1.749 13.353 -3.403 1.00 0.00 C ATOM 155 CD ARG A 18 -2.952 13.412 -4.327 1.00 0.00 C ATOM 156 NE ARG A 18 -3.044 14.667 -5.069 1.00 0.00 N ATOM 157 CZ ARG A 18 -3.296 14.725 -6.378 1.00 0.00 C ATOM 158 NH1 ARG A 18 -3.397 13.605 -7.083 1.00 0.00 N ATOM 159 NH2 ARG A 18 -3.414 15.895 -6.987 1.00 0.00 N ATOM 0 H ARG A 18 -2.829 15.597 -0.269 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.013 13.810 -1.898 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.059 15.259 -2.480 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.003 14.189 -1.579 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.860 13.669 -3.949 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.583 12.321 -3.094 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.902 12.583 -5.033 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.860 13.276 -3.740 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.909 15.542 -4.562 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.282 12.701 -6.624 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.590 13.648 -8.084 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.312 16.759 -6.455 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.607 15.932 -7.988 1.00 0.00 H new ATOM 173 N ASN A 19 -1.777 12.214 -0.086 1.00 0.00 N ATOM 174 CA ASN A 19 -1.327 10.902 0.326 1.00 0.00 C ATOM 175 C ASN A 19 -2.291 10.244 1.321 1.00 0.00 C ATOM 176 O ASN A 19 -2.277 9.032 1.498 1.00 0.00 O ATOM 177 CB ASN A 19 0.073 11.025 0.910 1.00 0.00 C ATOM 178 CG ASN A 19 1.145 11.293 -0.137 1.00 0.00 C ATOM 179 OD1 ASN A 19 0.911 11.985 -1.133 1.00 0.00 O ATOM 180 ND2 ASN A 19 2.329 10.749 0.080 1.00 0.00 N ATOM 0 H ASN A 19 -1.214 12.985 0.272 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.304 10.250 -0.547 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.083 11.831 1.643 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.318 10.106 1.443 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.087 10.895 -0.587 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.485 10.183 0.914 1.00 0.00 H new ATOM 187 N LYS A 20 -3.138 11.041 1.954 1.00 0.00 N ATOM 188 CA LYS A 20 -4.151 10.527 2.865 1.00 0.00 C ATOM 189 C LYS A 20 -5.436 10.273 2.080 1.00 0.00 C ATOM 190 O LYS A 20 -6.169 11.207 1.750 1.00 0.00 O ATOM 191 CB LYS A 20 -4.395 11.583 3.954 1.00 0.00 C ATOM 192 CG LYS A 20 -5.491 11.235 4.935 1.00 0.00 C ATOM 193 CD LYS A 20 -5.032 10.225 5.946 1.00 0.00 C ATOM 194 CE LYS A 20 -4.431 10.845 7.181 1.00 0.00 C ATOM 195 NZ LYS A 20 -5.413 11.661 7.947 1.00 0.00 N ATOM 0 H LYS A 20 -3.144 12.056 1.852 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.826 9.594 3.325 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.468 11.738 4.506 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.642 12.530 3.474 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.821 12.139 5.447 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.352 10.843 4.394 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.878 9.602 6.236 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.296 9.568 5.483 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.038 10.058 7.824 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.587 11.473 6.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.241 11.545 8.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.307 12.663 7.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.378 11.345 7.721 1.00 0.00 H new ATOM 209 N PHE A 21 -5.716 9.012 1.795 1.00 0.00 N ATOM 210 CA PHE A 21 -6.921 8.651 1.053 1.00 0.00 C ATOM 211 C PHE A 21 -7.875 7.821 1.894 1.00 0.00 C ATOM 212 O PHE A 21 -7.514 6.754 2.363 1.00 0.00 O ATOM 213 CB PHE A 21 -6.538 7.863 -0.201 1.00 0.00 C ATOM 214 CG PHE A 21 -6.034 8.701 -1.340 1.00 0.00 C ATOM 215 CD1 PHE A 21 -6.446 10.013 -1.521 1.00 0.00 C ATOM 216 CD2 PHE A 21 -5.138 8.163 -2.237 1.00 0.00 C ATOM 217 CE1 PHE A 21 -5.963 10.761 -2.578 1.00 0.00 C ATOM 218 CE2 PHE A 21 -4.657 8.897 -3.282 1.00 0.00 C ATOM 219 CZ PHE A 21 -5.063 10.199 -3.461 1.00 0.00 C ATOM 0 H PHE A 21 -5.130 8.221 2.063 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.429 9.576 0.778 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.771 7.136 0.064 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.408 7.300 -0.539 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.150 10.454 -0.830 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.810 7.142 -2.111 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.289 11.782 -2.713 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.954 8.454 -3.972 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.680 10.778 -4.288 1.00 0.00 H new ATOM 229 N LYS A 22 -9.091 8.307 2.087 1.00 0.00 N ATOM 230 CA LYS A 22 -10.119 7.507 2.740 1.00 0.00 C ATOM 231 C LYS A 22 -10.492 6.318 1.870 1.00 0.00 C ATOM 232 O LYS A 22 -11.179 6.457 0.857 1.00 0.00 O ATOM 233 CB LYS A 22 -11.356 8.337 3.036 1.00 0.00 C ATOM 234 CG LYS A 22 -11.341 9.027 4.377 1.00 0.00 C ATOM 235 CD LYS A 22 -11.527 8.061 5.538 1.00 0.00 C ATOM 236 CE LYS A 22 -12.944 7.536 5.612 1.00 0.00 C ATOM 237 NZ LYS A 22 -13.186 6.774 6.867 1.00 0.00 N ATOM 0 H LYS A 22 -9.390 9.241 1.805 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.713 7.148 3.686 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.468 9.090 2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.232 7.691 2.984 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.396 9.556 4.498 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.132 9.777 4.404 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.835 7.226 5.430 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.276 8.563 6.472 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.644 8.369 5.552 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.139 6.894 4.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.145 6.974 7.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.091 5.756 6.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.491 7.059 7.586 1.00 0.00 H new ATOM 251 N VAL A 23 -10.017 5.158 2.265 1.00 0.00 N ATOM 252 CA VAL A 23 -10.319 3.930 1.570 1.00 0.00 C ATOM 253 C VAL A 23 -11.417 3.205 2.305 1.00 0.00 C ATOM 254 O VAL A 23 -11.989 3.725 3.255 1.00 0.00 O ATOM 255 CB VAL A 23 -9.064 3.025 1.482 1.00 0.00 C ATOM 256 CG1 VAL A 23 -7.918 3.762 0.817 1.00 0.00 C ATOM 257 CG2 VAL A 23 -8.647 2.558 2.865 1.00 0.00 C ATOM 0 H VAL A 23 -9.411 5.041 3.077 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.642 4.168 0.556 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.316 2.154 0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.047 3.109 0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.211 4.057 -0.191 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.671 4.651 1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.764 1.924 2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.416 3.423 3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.460 1.992 3.318 1.00 0.00 H new ATOM 267 N ILE A 24 -11.743 2.033 1.847 1.00 0.00 N ATOM 268 CA ILE A 24 -12.704 1.224 2.534 1.00 0.00 C ATOM 269 C ILE A 24 -12.138 -0.155 2.740 1.00 0.00 C ATOM 270 O ILE A 24 -12.046 -0.912 1.788 1.00 0.00 O ATOM 271 CB ILE A 24 -14.001 1.111 1.742 1.00 0.00 C ATOM 272 CG1 ILE A 24 -14.539 2.476 1.378 1.00 0.00 C ATOM 273 CG2 ILE A 24 -15.036 0.374 2.535 1.00 0.00 C ATOM 274 CD1 ILE A 24 -15.603 2.406 0.300 1.00 0.00 C ATOM 0 H ILE A 24 -11.357 1.616 1.000 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.922 1.696 3.492 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.779 0.562 0.827 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -14.956 2.949 2.267 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.719 3.108 1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -15.956 0.302 1.955 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.673 -0.628 2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -15.233 0.910 3.463 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -15.958 3.411 0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -15.180 1.959 -0.600 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -16.437 1.797 0.650 1.00 0.00 H new ATOM 286 N ASN A 25 -11.729 -0.493 3.947 1.00 0.00 N ATOM 287 CA ASN A 25 -11.171 -1.812 4.146 1.00 0.00 C ATOM 288 C ASN A 25 -12.268 -2.839 3.900 1.00 0.00 C ATOM 289 O ASN A 25 -13.309 -2.846 4.569 1.00 0.00 O ATOM 290 CB ASN A 25 -10.495 -1.963 5.528 1.00 0.00 C ATOM 291 CG ASN A 25 -11.229 -2.873 6.499 1.00 0.00 C ATOM 292 OD1 ASN A 25 -11.077 -4.093 6.465 1.00 0.00 O ATOM 293 ND2 ASN A 25 -11.997 -2.282 7.396 1.00 0.00 N ATOM 0 H ASN A 25 -11.770 0.102 4.774 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.366 -1.981 3.430 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.486 -2.348 5.383 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.398 -0.976 5.979 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.489 -2.840 8.093 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.098 -1.267 7.392 1.00 0.00 H new ATOM 300 N VAL A 26 -12.053 -3.644 2.872 1.00 0.00 N ATOM 301 CA VAL A 26 -13.069 -4.542 2.355 1.00 0.00 C ATOM 302 C VAL A 26 -12.455 -5.919 2.143 1.00 0.00 C ATOM 303 O VAL A 26 -11.402 -6.040 1.524 1.00 0.00 O ATOM 304 CB VAL A 26 -13.636 -3.990 1.020 1.00 0.00 C ATOM 305 CG1 VAL A 26 -14.425 -2.709 1.256 1.00 0.00 C ATOM 306 CG2 VAL A 26 -12.529 -3.726 0.022 1.00 0.00 C ATOM 0 H VAL A 26 -11.165 -3.692 2.372 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.889 -4.620 3.069 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.302 -4.750 0.610 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.813 -2.340 0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.255 -2.912 1.933 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.773 -1.956 1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.957 -3.340 -0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.835 -2.993 0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.996 -4.654 -0.184 1.00 0.00 H new ATOM 316 N ASP A 27 -13.086 -6.966 2.648 1.00 0.00 N ATOM 317 CA ASP A 27 -12.443 -8.269 2.584 1.00 0.00 C ATOM 318 C ASP A 27 -13.291 -9.326 1.890 1.00 0.00 C ATOM 319 O ASP A 27 -14.448 -9.546 2.245 1.00 0.00 O ATOM 320 CB ASP A 27 -12.040 -8.744 3.981 1.00 0.00 C ATOM 321 CG ASP A 27 -11.318 -10.076 3.954 1.00 0.00 C ATOM 322 OD1 ASP A 27 -10.220 -10.154 3.364 1.00 0.00 O ATOM 323 OD2 ASP A 27 -11.842 -11.050 4.532 1.00 0.00 O ATOM 0 H ASP A 27 -14.005 -6.946 3.090 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.549 -8.137 1.975 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.398 -7.995 4.445 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.931 -8.829 4.603 1.00 0.00 H new ATOM 328 N ASP A 28 -12.670 -9.951 0.883 1.00 0.00 N ATOM 329 CA ASP A 28 -13.208 -11.101 0.124 1.00 0.00 C ATOM 330 C ASP A 28 -14.602 -10.863 -0.472 1.00 0.00 C ATOM 331 O ASP A 28 -15.169 -11.741 -1.113 1.00 0.00 O ATOM 332 CB ASP A 28 -13.227 -12.348 1.013 1.00 0.00 C ATOM 333 CG ASP A 28 -13.431 -13.632 0.230 1.00 0.00 C ATOM 334 OD1 ASP A 28 -12.474 -14.086 -0.435 1.00 0.00 O ATOM 335 OD2 ASP A 28 -14.548 -14.192 0.271 1.00 0.00 O ATOM 0 H ASP A 28 -11.747 -9.665 0.558 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.538 -11.243 -0.724 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.288 -12.410 1.563 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.023 -12.249 1.751 1.00 0.00 H new ATOM 340 N ASP A 29 -15.129 -9.665 -0.316 1.00 0.00 N ATOM 341 CA ASP A 29 -16.449 -9.341 -0.843 1.00 0.00 C ATOM 342 C ASP A 29 -16.471 -7.916 -1.366 1.00 0.00 C ATOM 343 O ASP A 29 -17.447 -7.471 -1.963 1.00 0.00 O ATOM 344 CB ASP A 29 -17.523 -9.498 0.236 1.00 0.00 C ATOM 345 CG ASP A 29 -17.790 -10.941 0.603 1.00 0.00 C ATOM 346 OD1 ASP A 29 -18.529 -11.624 -0.134 1.00 0.00 O ATOM 347 OD2 ASP A 29 -17.278 -11.394 1.647 1.00 0.00 O ATOM 0 H ASP A 29 -14.667 -8.897 0.171 1.00 0.00 H new ATOM 0 HA ASP A 29 -16.662 -10.033 -1.657 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -17.215 -8.954 1.129 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -18.449 -9.041 -0.113 1.00 0.00 H new ATOM 352 N GLY A 30 -15.363 -7.212 -1.158 1.00 0.00 N ATOM 353 CA GLY A 30 -15.342 -5.777 -1.366 1.00 0.00 C ATOM 354 C GLY A 30 -16.271 -5.120 -0.380 1.00 0.00 C ATOM 355 O GLY A 30 -16.793 -4.032 -0.614 1.00 0.00 O ATOM 0 H GLY A 30 -14.477 -7.612 -0.848 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.329 -5.394 -1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.648 -5.541 -2.385 1.00 0.00 H new ATOM 359 N ASN A 31 -16.447 -5.805 0.745 1.00 0.00 N ATOM 360 CA ASN A 31 -17.392 -5.407 1.765 1.00 0.00 C ATOM 361 C ASN A 31 -16.753 -4.410 2.691 1.00 0.00 C ATOM 362 O ASN A 31 -15.781 -4.747 3.357 1.00 0.00 O ATOM 363 CB ASN A 31 -17.830 -6.629 2.572 1.00 0.00 C ATOM 364 CG ASN A 31 -19.140 -6.426 3.307 1.00 0.00 C ATOM 365 OD1 ASN A 31 -19.535 -5.301 3.621 1.00 0.00 O ATOM 366 ND2 ASN A 31 -19.811 -7.522 3.613 1.00 0.00 N ATOM 0 H ASN A 31 -15.932 -6.656 0.970 1.00 0.00 H new ATOM 0 HA ASN A 31 -18.260 -4.956 1.284 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -17.927 -7.483 1.901 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -17.052 -6.877 3.294 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -20.689 -7.455 4.127 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -19.451 -8.435 3.335 1.00 0.00 H new ATOM 373 N GLU A 32 -17.245 -3.174 2.665 1.00 0.00 N ATOM 374 CA GLU A 32 -16.824 -2.152 3.607 1.00 0.00 C ATOM 375 C GLU A 32 -16.885 -2.678 5.046 1.00 0.00 C ATOM 376 O GLU A 32 -17.895 -2.526 5.732 1.00 0.00 O ATOM 377 CB GLU A 32 -17.733 -0.925 3.473 1.00 0.00 C ATOM 378 CG GLU A 32 -18.163 -0.665 2.041 1.00 0.00 C ATOM 379 CD GLU A 32 -19.098 0.507 1.881 1.00 0.00 C ATOM 380 OE1 GLU A 32 -20.316 0.340 2.093 1.00 0.00 O ATOM 381 OE2 GLU A 32 -18.622 1.589 1.504 1.00 0.00 O ATOM 0 H GLU A 32 -17.943 -2.858 1.992 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.794 -1.877 3.381 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.618 -1.065 4.094 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -17.211 -0.048 3.856 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.275 -0.493 1.432 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -18.649 -1.559 1.651 1.00 0.00 H new ATOM 388 N LEU A 33 -15.805 -3.300 5.487 1.00 0.00 N ATOM 389 CA LEU A 33 -15.712 -3.862 6.826 1.00 0.00 C ATOM 390 C LEU A 33 -15.156 -2.819 7.780 1.00 0.00 C ATOM 391 O LEU A 33 -14.648 -3.130 8.857 1.00 0.00 O ATOM 392 CB LEU A 33 -14.819 -5.110 6.805 1.00 0.00 C ATOM 393 CG LEU A 33 -15.531 -6.456 6.599 1.00 0.00 C ATOM 394 CD1 LEU A 33 -16.836 -6.276 5.865 1.00 0.00 C ATOM 395 CD2 LEU A 33 -14.652 -7.395 5.797 1.00 0.00 C ATOM 0 H LEU A 33 -14.964 -3.431 4.925 1.00 0.00 H new ATOM 0 HA LEU A 33 -16.705 -4.154 7.169 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.081 -4.989 6.012 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.271 -5.154 7.746 1.00 0.00 H new ATOM 0 HG LEU A 33 -15.730 -6.876 7.585 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -17.317 -7.246 5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -17.490 -5.622 6.441 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.646 -5.831 4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -15.167 -8.345 5.658 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.439 -6.952 4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -13.717 -7.564 6.332 1.00 0.00 H new ATOM 407 N GLY A 34 -15.273 -1.573 7.370 1.00 0.00 N ATOM 408 CA GLY A 34 -14.726 -0.475 8.123 1.00 0.00 C ATOM 409 C GLY A 34 -13.969 0.450 7.211 1.00 0.00 C ATOM 410 O GLY A 34 -12.764 0.279 7.006 1.00 0.00 O ATOM 0 H GLY A 34 -15.748 -1.299 6.510 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.528 0.069 8.622 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.064 -0.852 8.902 1.00 0.00 H new ATOM 414 N SER A 35 -14.672 1.403 6.620 1.00 0.00 N ATOM 415 CA SER A 35 -14.052 2.275 5.653 1.00 0.00 C ATOM 416 C SER A 35 -12.937 3.083 6.306 1.00 0.00 C ATOM 417 O SER A 35 -13.160 3.881 7.218 1.00 0.00 O ATOM 418 CB SER A 35 -15.090 3.152 4.956 1.00 0.00 C ATOM 419 OG SER A 35 -15.896 3.854 5.889 1.00 0.00 O ATOM 0 H SER A 35 -15.660 1.586 6.794 1.00 0.00 H new ATOM 0 HA SER A 35 -13.593 1.668 4.873 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.585 3.864 4.303 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.724 2.532 4.322 1.00 0.00 H new ATOM 0 HG SER A 35 -15.336 4.181 6.624 1.00 0.00 H new ATOM 425 N GLY A 36 -11.733 2.853 5.817 1.00 0.00 N ATOM 426 CA GLY A 36 -10.546 3.323 6.480 1.00 0.00 C ATOM 427 C GLY A 36 -9.898 4.493 5.775 1.00 0.00 C ATOM 428 O GLY A 36 -10.517 5.189 4.979 1.00 0.00 O ATOM 0 H GLY A 36 -11.558 2.338 4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.798 3.615 7.500 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.828 2.506 6.550 1.00 0.00 H new ATOM 432 N ILE A 37 -8.651 4.704 6.105 1.00 0.00 N ATOM 433 CA ILE A 37 -7.773 5.613 5.400 1.00 0.00 C ATOM 434 C ILE A 37 -6.673 4.792 4.808 1.00 0.00 C ATOM 435 O ILE A 37 -6.412 3.720 5.284 1.00 0.00 O ATOM 436 CB ILE A 37 -7.117 6.609 6.381 1.00 0.00 C ATOM 437 CG1 ILE A 37 -8.069 7.685 6.840 1.00 0.00 C ATOM 438 CG2 ILE A 37 -5.889 7.297 5.814 1.00 0.00 C ATOM 439 CD1 ILE A 37 -8.394 8.709 5.767 1.00 0.00 C ATOM 0 H ILE A 37 -8.202 4.237 6.893 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.344 6.162 4.651 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.822 5.985 7.224 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.995 7.219 7.178 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.638 8.197 7.700 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.480 7.982 6.557 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.138 6.549 5.558 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.165 7.855 4.919 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.084 9.451 6.169 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.477 9.203 5.445 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.855 8.209 4.915 1.00 0.00 H new ATOM 451 N MET A 38 -6.047 5.264 3.789 1.00 0.00 N ATOM 452 CA MET A 38 -4.802 4.701 3.399 1.00 0.00 C ATOM 453 C MET A 38 -3.812 5.825 3.223 1.00 0.00 C ATOM 454 O MET A 38 -3.701 6.436 2.162 1.00 0.00 O ATOM 455 CB MET A 38 -4.970 3.843 2.172 1.00 0.00 C ATOM 456 CG MET A 38 -3.768 3.011 1.881 1.00 0.00 C ATOM 457 SD MET A 38 -3.405 1.881 3.217 1.00 0.00 S ATOM 458 CE MET A 38 -5.018 1.133 3.337 1.00 0.00 C ATOM 0 H MET A 38 -6.375 6.037 3.210 1.00 0.00 H new ATOM 0 HA MET A 38 -4.414 4.032 4.167 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.834 3.192 2.305 1.00 0.00 H new ATOM 0 HB3 MET A 38 -5.181 4.481 1.314 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.930 2.448 0.962 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.909 3.660 1.710 1.00 0.00 H new ATOM 0 HE1 MET A 38 -4.943 0.190 3.879 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.692 1.805 3.869 1.00 0.00 H new ATOM 0 HE3 MET A 38 -5.408 0.946 2.336 1.00 0.00 H new ATOM 468 N GLU A 39 -3.140 6.119 4.324 1.00 0.00 N ATOM 469 CA GLU A 39 -2.220 7.218 4.419 1.00 0.00 C ATOM 470 C GLU A 39 -0.901 6.806 3.786 1.00 0.00 C ATOM 471 O GLU A 39 -0.072 6.138 4.412 1.00 0.00 O ATOM 472 CB GLU A 39 -2.009 7.527 5.891 1.00 0.00 C ATOM 473 CG GLU A 39 -0.903 8.521 6.180 1.00 0.00 C ATOM 474 CD GLU A 39 -1.415 9.835 6.726 1.00 0.00 C ATOM 475 OE1 GLU A 39 -1.684 9.902 7.941 1.00 0.00 O ATOM 476 OE2 GLU A 39 -1.559 10.803 5.943 1.00 0.00 O ATOM 0 H GLU A 39 -3.227 5.584 5.188 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.607 8.098 3.905 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.941 7.912 6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.788 6.597 6.415 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.207 8.083 6.896 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.343 8.708 5.264 1.00 0.00 H new ATOM 483 N LEU A 40 -0.733 7.161 2.539 1.00 0.00 N ATOM 484 CA LEU A 40 0.435 6.772 1.793 1.00 0.00 C ATOM 485 C LEU A 40 1.646 7.613 2.172 1.00 0.00 C ATOM 486 O LEU A 40 1.717 8.792 1.854 1.00 0.00 O ATOM 487 CB LEU A 40 0.144 6.896 0.302 1.00 0.00 C ATOM 488 CG LEU A 40 -0.214 5.588 -0.398 1.00 0.00 C ATOM 489 CD1 LEU A 40 -0.504 5.845 -1.856 1.00 0.00 C ATOM 490 CD2 LEU A 40 0.939 4.608 -0.269 1.00 0.00 C ATOM 0 H LEU A 40 -1.400 7.726 2.013 1.00 0.00 H new ATOM 0 HA LEU A 40 0.672 5.736 2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.677 7.600 0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.018 7.325 -0.189 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.102 5.164 0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.758 4.906 -2.347 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.340 6.539 -1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.377 6.276 -2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.681 3.675 -0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.831 5.033 -0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.134 4.412 0.785 1.00 0.00 H new ATOM 502 N THR A 41 2.594 7.014 2.870 1.00 0.00 N ATOM 503 CA THR A 41 3.824 7.715 3.186 1.00 0.00 C ATOM 504 C THR A 41 5.006 7.067 2.480 1.00 0.00 C ATOM 505 O THR A 41 4.816 6.265 1.566 1.00 0.00 O ATOM 506 CB THR A 41 4.101 7.763 4.689 1.00 0.00 C ATOM 507 OG1 THR A 41 4.382 6.453 5.195 1.00 0.00 O ATOM 508 CG2 THR A 41 2.925 8.370 5.435 1.00 0.00 C ATOM 0 H THR A 41 2.538 6.059 3.224 1.00 0.00 H new ATOM 0 HA THR A 41 3.696 8.739 2.835 1.00 0.00 H new ATOM 0 HB THR A 41 4.976 8.393 4.849 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.548 5.942 5.262 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.144 8.394 6.502 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.752 9.385 5.077 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.034 7.767 5.261 1.00 0.00 H new ATOM 516 N ASP A 42 6.214 7.409 2.921 1.00 0.00 N ATOM 517 CA ASP A 42 7.443 6.911 2.306 1.00 0.00 C ATOM 518 C ASP A 42 7.516 5.413 2.378 1.00 0.00 C ATOM 519 O ASP A 42 7.809 4.751 1.389 1.00 0.00 O ATOM 520 CB ASP A 42 8.678 7.481 3.000 1.00 0.00 C ATOM 521 CG ASP A 42 8.441 8.862 3.572 1.00 0.00 C ATOM 522 OD1 ASP A 42 7.883 8.956 4.682 1.00 0.00 O ATOM 523 OD2 ASP A 42 8.810 9.864 2.924 1.00 0.00 O ATOM 0 H ASP A 42 6.369 8.036 3.711 1.00 0.00 H new ATOM 0 HA ASP A 42 7.424 7.231 1.264 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.983 6.808 3.801 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.503 7.523 2.288 1.00 0.00 H new ATOM 528 N THR A 43 7.271 4.861 3.543 1.00 0.00 N ATOM 529 CA THR A 43 7.479 3.448 3.693 1.00 0.00 C ATOM 530 C THR A 43 6.305 2.744 4.331 1.00 0.00 C ATOM 531 O THR A 43 6.263 1.522 4.333 1.00 0.00 O ATOM 532 CB THR A 43 8.714 3.135 4.536 1.00 0.00 C ATOM 533 OG1 THR A 43 8.470 3.422 5.917 1.00 0.00 O ATOM 534 CG2 THR A 43 9.914 3.931 4.072 1.00 0.00 C ATOM 0 H THR A 43 6.939 5.352 4.373 1.00 0.00 H new ATOM 0 HA THR A 43 7.612 3.082 2.675 1.00 0.00 H new ATOM 0 HB THR A 43 8.926 2.073 4.415 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.272 3.214 6.441 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.776 3.685 4.692 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.133 3.686 3.033 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.699 4.996 4.156 1.00 0.00 H new ATOM 542 N GLU A 44 5.369 3.475 4.901 1.00 0.00 N ATOM 543 CA GLU A 44 4.244 2.822 5.530 1.00 0.00 C ATOM 544 C GLU A 44 2.925 3.359 5.039 1.00 0.00 C ATOM 545 O GLU A 44 2.665 4.561 5.024 1.00 0.00 O ATOM 546 CB GLU A 44 4.318 2.876 7.053 1.00 0.00 C ATOM 547 CG GLU A 44 4.868 1.600 7.659 1.00 0.00 C ATOM 548 CD GLU A 44 5.230 1.728 9.121 1.00 0.00 C ATOM 549 OE1 GLU A 44 4.313 1.830 9.958 1.00 0.00 O ATOM 550 OE2 GLU A 44 6.434 1.676 9.443 1.00 0.00 O ATOM 0 H GLU A 44 5.364 4.494 4.941 1.00 0.00 H new ATOM 0 HA GLU A 44 4.304 1.774 5.236 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.946 3.715 7.352 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.322 3.064 7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.130 0.806 7.545 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.753 1.295 7.100 1.00 0.00 H new ATOM 557 N LEU A 45 2.110 2.428 4.629 1.00 0.00 N ATOM 558 CA LEU A 45 0.762 2.684 4.222 1.00 0.00 C ATOM 559 C LEU A 45 -0.128 2.682 5.436 1.00 0.00 C ATOM 560 O LEU A 45 -0.620 1.645 5.875 1.00 0.00 O ATOM 561 CB LEU A 45 0.368 1.601 3.230 1.00 0.00 C ATOM 562 CG LEU A 45 0.556 1.952 1.785 1.00 0.00 C ATOM 563 CD1 LEU A 45 1.007 0.743 1.007 1.00 0.00 C ATOM 564 CD2 LEU A 45 -0.736 2.443 1.229 1.00 0.00 C ATOM 0 H LEU A 45 2.375 1.445 4.568 1.00 0.00 H new ATOM 0 HA LEU A 45 0.662 3.658 3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.949 0.705 3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.680 1.348 3.391 1.00 0.00 H new ATOM 0 HG LEU A 45 1.317 2.728 1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.139 1.013 -0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.953 0.382 1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.255 -0.042 1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.606 2.700 0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.492 1.663 1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.058 3.326 1.781 1.00 0.00 H new ATOM 576 N ILE A 46 -0.307 3.859 5.994 1.00 0.00 N ATOM 577 CA ILE A 46 -0.979 3.993 7.261 1.00 0.00 C ATOM 578 C ILE A 46 -2.509 4.012 7.044 1.00 0.00 C ATOM 579 O ILE A 46 -3.114 5.054 6.828 1.00 0.00 O ATOM 580 CB ILE A 46 -0.484 5.267 8.015 1.00 0.00 C ATOM 581 CG1 ILE A 46 1.026 5.241 8.212 1.00 0.00 C ATOM 582 CG2 ILE A 46 -1.170 5.373 9.335 1.00 0.00 C ATOM 583 CD1 ILE A 46 1.561 3.861 8.382 1.00 0.00 C ATOM 0 H ILE A 46 0.006 4.739 5.585 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.738 3.134 7.888 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.729 6.138 7.408 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.508 5.710 7.354 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.284 5.837 9.088 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.820 6.264 9.856 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.247 5.442 9.181 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.945 4.491 9.934 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.642 3.904 8.518 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.103 3.398 9.256 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.330 3.270 7.496 1.00 0.00 H new ATOM 595 N LEU A 47 -3.125 2.836 7.107 1.00 0.00 N ATOM 596 CA LEU A 47 -4.570 2.691 6.922 1.00 0.00 C ATOM 597 C LEU A 47 -5.309 3.092 8.200 1.00 0.00 C ATOM 598 O LEU A 47 -5.211 2.395 9.200 1.00 0.00 O ATOM 599 CB LEU A 47 -4.924 1.231 6.663 1.00 0.00 C ATOM 600 CG LEU A 47 -6.397 0.844 6.907 1.00 0.00 C ATOM 601 CD1 LEU A 47 -7.293 1.106 5.704 1.00 0.00 C ATOM 602 CD2 LEU A 47 -6.457 -0.606 7.251 1.00 0.00 C ATOM 0 H LEU A 47 -2.641 1.957 7.287 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.858 3.324 6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.672 0.994 5.629 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.294 0.606 7.296 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.767 1.467 7.721 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.316 0.812 5.941 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.268 2.167 5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.937 0.526 4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.493 -0.896 7.427 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.051 -1.193 6.427 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.871 -0.791 8.151 1.00 0.00 H new ATOM 614 N TYR A 48 -6.068 4.164 8.196 1.00 0.00 N ATOM 615 CA TYR A 48 -6.818 4.500 9.408 1.00 0.00 C ATOM 616 C TYR A 48 -8.148 3.778 9.383 1.00 0.00 C ATOM 617 O TYR A 48 -9.085 4.246 8.750 1.00 0.00 O ATOM 618 CB TYR A 48 -7.082 6.000 9.581 1.00 0.00 C ATOM 619 CG TYR A 48 -5.848 6.802 9.809 1.00 0.00 C ATOM 620 CD1 TYR A 48 -4.854 6.722 8.899 1.00 0.00 C ATOM 621 CD2 TYR A 48 -5.681 7.627 10.909 1.00 0.00 C ATOM 622 CE1 TYR A 48 -3.709 7.417 9.029 1.00 0.00 C ATOM 623 CE2 TYR A 48 -4.515 8.352 11.067 1.00 0.00 C ATOM 624 CZ TYR A 48 -3.523 8.243 10.116 1.00 0.00 C ATOM 625 OH TYR A 48 -2.352 8.953 10.256 1.00 0.00 O ATOM 0 H TYR A 48 -6.188 4.801 7.409 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.199 4.187 10.249 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.590 6.375 8.693 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -7.760 6.146 10.422 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.982 6.080 8.040 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.466 7.704 11.647 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.935 7.327 8.281 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.383 8.995 11.924 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.161 9.436 9.425 1.00 0.00 H new ATOM 635 N THR A 49 -8.244 2.655 10.068 1.00 0.00 N ATOM 636 CA THR A 49 -9.497 1.908 10.089 1.00 0.00 C ATOM 637 C THR A 49 -10.553 2.664 10.878 1.00 0.00 C ATOM 638 O THR A 49 -10.305 3.780 11.344 1.00 0.00 O ATOM 639 CB THR A 49 -9.339 0.521 10.697 1.00 0.00 C ATOM 640 OG1 THR A 49 -8.626 0.615 11.917 1.00 0.00 O ATOM 641 CG2 THR A 49 -8.627 -0.402 9.742 1.00 0.00 C ATOM 0 H THR A 49 -7.486 2.241 10.611 1.00 0.00 H new ATOM 0 HA THR A 49 -9.805 1.795 9.050 1.00 0.00 H new ATOM 0 HB THR A 49 -10.328 0.107 10.892 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.667 0.690 11.730 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.525 -1.387 10.197 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.202 -0.486 8.820 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.638 -0.002 9.518 1.00 0.00 H new ATOM 649 N ARG A 50 -11.720 2.072 11.053 1.00 0.00 N ATOM 650 CA ARG A 50 -12.750 2.724 11.829 1.00 0.00 C ATOM 651 C ARG A 50 -12.429 2.660 13.313 1.00 0.00 C ATOM 652 O ARG A 50 -12.125 3.675 13.932 1.00 0.00 O ATOM 653 CB ARG A 50 -14.106 2.105 11.553 1.00 0.00 C ATOM 654 CG ARG A 50 -15.086 3.080 10.930 1.00 0.00 C ATOM 655 CD ARG A 50 -15.468 4.204 11.883 1.00 0.00 C ATOM 656 NE ARG A 50 -14.498 5.303 11.872 1.00 0.00 N ATOM 657 CZ ARG A 50 -14.721 6.503 12.403 1.00 0.00 C ATOM 658 NH1 ARG A 50 -15.887 6.778 12.973 1.00 0.00 N ATOM 659 NH2 ARG A 50 -13.774 7.432 12.357 1.00 0.00 N ATOM 0 H ARG A 50 -11.973 1.159 10.675 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.784 3.772 11.530 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.981 1.250 10.889 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.523 1.725 12.486 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.648 3.505 10.027 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.985 2.544 10.626 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.451 4.588 11.611 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.550 3.806 12.895 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.594 5.138 11.429 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -16.619 6.068 13.006 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.052 7.699 13.378 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.878 7.225 11.915 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -13.942 8.352 12.763 1.00 0.00 H new ATOM 673 N LYS A 51 -12.495 1.471 13.876 1.00 0.00 N ATOM 674 CA LYS A 51 -12.275 1.285 15.301 1.00 0.00 C ATOM 675 C LYS A 51 -11.050 0.424 15.599 1.00 0.00 C ATOM 676 O LYS A 51 -10.820 0.022 16.738 1.00 0.00 O ATOM 677 CB LYS A 51 -13.537 0.726 15.904 1.00 0.00 C ATOM 678 CG LYS A 51 -14.636 1.772 15.952 1.00 0.00 C ATOM 679 CD LYS A 51 -14.467 2.689 17.153 1.00 0.00 C ATOM 680 CE LYS A 51 -13.620 3.921 16.871 1.00 0.00 C ATOM 681 NZ LYS A 51 -13.986 4.608 15.607 1.00 0.00 N ATOM 0 H LYS A 51 -12.701 0.611 13.367 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.052 2.248 15.760 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.873 -0.131 15.320 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.332 0.364 16.912 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.621 2.362 15.035 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.608 1.281 15.999 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.451 3.007 17.497 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.012 2.125 17.967 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.722 4.621 17.700 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.571 3.630 16.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.918 5.637 15.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.336 4.312 14.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.960 4.356 15.345 1.00 0.00 H new ATOM 695 N ARG A 52 -10.279 0.135 14.562 1.00 0.00 N ATOM 696 CA ARG A 52 -9.058 -0.646 14.691 1.00 0.00 C ATOM 697 C ARG A 52 -7.822 0.275 14.654 1.00 0.00 C ATOM 698 O ARG A 52 -6.677 -0.179 14.749 1.00 0.00 O ATOM 699 CB ARG A 52 -9.047 -1.687 13.563 1.00 0.00 C ATOM 700 CG ARG A 52 -7.770 -2.498 13.426 1.00 0.00 C ATOM 701 CD ARG A 52 -7.484 -3.320 14.673 1.00 0.00 C ATOM 702 NE ARG A 52 -8.180 -4.606 14.659 1.00 0.00 N ATOM 703 CZ ARG A 52 -7.702 -5.720 15.216 1.00 0.00 C ATOM 704 NH1 ARG A 52 -6.568 -5.690 15.911 1.00 0.00 N ATOM 705 NH2 ARG A 52 -8.366 -6.862 15.095 1.00 0.00 N ATOM 0 H ARG A 52 -10.482 0.435 13.608 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.024 -1.162 15.650 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.877 -2.375 13.721 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.233 -1.175 12.619 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.852 -3.161 12.565 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.933 -1.827 13.233 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.411 -3.491 14.755 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.785 -2.755 15.555 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.087 -4.654 14.195 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.060 -4.812 16.020 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.207 -6.545 16.335 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.243 -6.889 14.575 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.999 -7.713 15.521 1.00 0.00 H new ATOM 719 N ASP A 53 -8.090 1.580 14.531 1.00 0.00 N ATOM 720 CA ASP A 53 -7.063 2.618 14.501 1.00 0.00 C ATOM 721 C ASP A 53 -6.164 2.512 13.267 1.00 0.00 C ATOM 722 O ASP A 53 -6.318 1.622 12.431 1.00 0.00 O ATOM 723 CB ASP A 53 -6.276 2.584 15.814 1.00 0.00 C ATOM 724 CG ASP A 53 -4.953 3.335 15.803 1.00 0.00 C ATOM 725 OD1 ASP A 53 -4.970 4.582 15.688 1.00 0.00 O ATOM 726 OD2 ASP A 53 -3.889 2.683 15.882 1.00 0.00 O ATOM 0 H ASP A 53 -9.039 1.945 14.449 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.546 3.591 14.414 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.903 2.998 16.604 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.081 1.544 16.074 1.00 0.00 H new ATOM 731 N SER A 54 -5.283 3.481 13.139 1.00 0.00 N ATOM 732 CA SER A 54 -4.306 3.532 12.071 1.00 0.00 C ATOM 733 C SER A 54 -3.480 2.258 12.017 1.00 0.00 C ATOM 734 O SER A 54 -2.540 2.062 12.787 1.00 0.00 O ATOM 735 CB SER A 54 -3.394 4.738 12.244 1.00 0.00 C ATOM 736 OG SER A 54 -2.803 4.753 13.534 1.00 0.00 O ATOM 0 H SER A 54 -5.224 4.269 13.784 1.00 0.00 H new ATOM 0 HA SER A 54 -4.847 3.626 11.129 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.613 4.719 11.484 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.965 5.654 12.092 1.00 0.00 H new ATOM 0 HG SER A 54 -2.524 3.845 13.777 1.00 0.00 H new ATOM 742 N VAL A 55 -3.871 1.405 11.106 1.00 0.00 N ATOM 743 CA VAL A 55 -3.101 0.245 10.730 1.00 0.00 C ATOM 744 C VAL A 55 -1.998 0.710 9.804 1.00 0.00 C ATOM 745 O VAL A 55 -2.078 1.806 9.265 1.00 0.00 O ATOM 746 CB VAL A 55 -3.962 -0.768 9.981 1.00 0.00 C ATOM 747 CG1 VAL A 55 -3.243 -2.064 9.824 1.00 0.00 C ATOM 748 CG2 VAL A 55 -5.278 -1.003 10.673 1.00 0.00 C ATOM 0 H VAL A 55 -4.749 1.498 10.595 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.707 -0.232 11.627 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.163 -0.346 8.996 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.877 -2.769 9.287 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.323 -1.904 9.263 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.002 -2.468 10.807 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.861 -1.730 10.108 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.098 -1.384 11.678 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.829 -0.065 10.735 1.00 0.00 H new ATOM 758 N LYS A 56 -0.968 -0.081 9.618 1.00 0.00 N ATOM 759 CA LYS A 56 0.140 0.370 8.781 1.00 0.00 C ATOM 760 C LYS A 56 0.610 -0.741 7.843 1.00 0.00 C ATOM 761 O LYS A 56 0.589 -1.917 8.213 1.00 0.00 O ATOM 762 CB LYS A 56 1.361 0.824 9.586 1.00 0.00 C ATOM 763 CG LYS A 56 1.146 1.355 11.003 1.00 0.00 C ATOM 764 CD LYS A 56 0.105 2.444 11.163 1.00 0.00 C ATOM 765 CE LYS A 56 0.776 3.738 11.572 1.00 0.00 C ATOM 766 NZ LYS A 56 -0.104 4.622 12.379 1.00 0.00 N ATOM 0 H LYS A 56 -0.865 -1.014 10.017 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.257 1.219 8.224 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.048 -0.020 9.649 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.864 1.603 9.013 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.866 0.518 11.643 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.098 1.735 11.374 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.435 2.584 10.227 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.629 2.151 11.914 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.674 3.509 12.145 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.096 4.273 10.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.381 5.448 11.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.955 4.097 12.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.407 4.941 13.227 1.00 0.00 H new ATOM 780 N TRP A 57 1.052 -0.367 6.641 1.00 0.00 N ATOM 781 CA TRP A 57 1.667 -1.321 5.723 1.00 0.00 C ATOM 782 C TRP A 57 2.993 -0.849 5.186 1.00 0.00 C ATOM 783 O TRP A 57 3.061 0.028 4.333 1.00 0.00 O ATOM 784 CB TRP A 57 0.739 -1.696 4.586 1.00 0.00 C ATOM 785 CG TRP A 57 -0.134 -2.809 5.018 1.00 0.00 C ATOM 786 CD1 TRP A 57 0.147 -4.136 4.934 1.00 0.00 C ATOM 787 CD2 TRP A 57 -1.398 -2.698 5.651 1.00 0.00 C ATOM 788 NE1 TRP A 57 -0.885 -4.866 5.461 1.00 0.00 N ATOM 789 CE2 TRP A 57 -1.848 -4.003 5.909 1.00 0.00 C ATOM 790 CE3 TRP A 57 -2.199 -1.621 6.013 1.00 0.00 C ATOM 791 CZ2 TRP A 57 -3.065 -4.254 6.519 1.00 0.00 C ATOM 792 CZ3 TRP A 57 -3.404 -1.874 6.614 1.00 0.00 C ATOM 793 CH2 TRP A 57 -3.827 -3.177 6.864 1.00 0.00 C ATOM 0 H TRP A 57 0.995 0.587 6.284 1.00 0.00 H new ATOM 0 HA TRP A 57 1.858 -2.215 6.317 1.00 0.00 H new ATOM 0 HB2 TRP A 57 0.135 -0.836 4.295 1.00 0.00 H new ATOM 0 HB3 TRP A 57 1.318 -1.991 3.710 1.00 0.00 H new ATOM 0 HD1 TRP A 57 1.050 -4.553 4.514 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.929 -5.884 5.511 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.878 -0.607 5.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.398 -5.263 6.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -4.038 -1.047 6.899 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -4.782 -3.338 7.343 1.00 0.00 H new ATOM 804 N HIS A 58 4.056 -1.456 5.679 1.00 0.00 N ATOM 805 CA HIS A 58 5.382 -1.087 5.250 1.00 0.00 C ATOM 806 C HIS A 58 5.640 -1.579 3.818 1.00 0.00 C ATOM 807 O HIS A 58 5.234 -2.670 3.428 1.00 0.00 O ATOM 808 CB HIS A 58 6.446 -1.622 6.213 1.00 0.00 C ATOM 809 CG HIS A 58 7.772 -0.990 5.968 1.00 0.00 C ATOM 810 ND1 HIS A 58 8.692 -1.507 5.088 1.00 0.00 N ATOM 811 CD2 HIS A 58 8.270 0.189 6.388 1.00 0.00 C ATOM 812 CE1 HIS A 58 9.694 -0.654 4.951 1.00 0.00 C ATOM 813 NE2 HIS A 58 9.463 0.379 5.739 1.00 0.00 N ATOM 0 H HIS A 58 4.023 -2.203 6.373 1.00 0.00 H new ATOM 0 HA HIS A 58 5.449 0.001 5.257 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.136 -1.433 7.241 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.530 -2.703 6.099 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.815 0.859 7.102 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.551 -0.781 4.307 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.074 1.189 5.848 1.00 0.00 H new ATOM 822 N TYR A 59 6.319 -0.735 3.054 1.00 0.00 N ATOM 823 CA TYR A 59 6.579 -0.945 1.629 1.00 0.00 C ATOM 824 C TYR A 59 7.418 -2.185 1.360 1.00 0.00 C ATOM 825 O TYR A 59 7.316 -2.798 0.301 1.00 0.00 O ATOM 826 CB TYR A 59 7.296 0.282 1.085 1.00 0.00 C ATOM 827 CG TYR A 59 6.367 1.385 0.689 1.00 0.00 C ATOM 828 CD1 TYR A 59 5.255 1.662 1.449 1.00 0.00 C ATOM 829 CD2 TYR A 59 6.581 2.116 -0.456 1.00 0.00 C ATOM 830 CE1 TYR A 59 4.372 2.649 1.091 1.00 0.00 C ATOM 831 CE2 TYR A 59 5.716 3.112 -0.829 1.00 0.00 C ATOM 832 CZ TYR A 59 4.615 3.379 -0.054 1.00 0.00 C ATOM 833 OH TYR A 59 3.764 4.381 -0.428 1.00 0.00 O ATOM 0 H TYR A 59 6.715 0.135 3.411 1.00 0.00 H new ATOM 0 HA TYR A 59 5.621 -1.098 1.131 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.989 0.654 1.840 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.893 -0.008 0.220 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.073 1.090 2.347 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.443 1.902 -1.070 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.500 2.851 1.696 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.900 3.683 -1.727 1.00 0.00 H new ATOM 0 HH TYR A 59 3.926 5.172 0.127 1.00 0.00 H new ATOM 843 N LEU A 60 8.239 -2.545 2.328 1.00 0.00 N ATOM 844 CA LEU A 60 9.059 -3.750 2.255 1.00 0.00 C ATOM 845 C LEU A 60 8.226 -4.963 2.605 1.00 0.00 C ATOM 846 O LEU A 60 8.745 -6.012 2.987 1.00 0.00 O ATOM 847 CB LEU A 60 10.269 -3.645 3.181 1.00 0.00 C ATOM 848 CG LEU A 60 11.582 -3.295 2.491 1.00 0.00 C ATOM 849 CD1 LEU A 60 12.073 -4.449 1.624 1.00 0.00 C ATOM 850 CD2 LEU A 60 11.401 -2.053 1.663 1.00 0.00 C ATOM 0 H LEU A 60 8.360 -2.013 3.190 1.00 0.00 H new ATOM 0 HA LEU A 60 9.427 -3.856 1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.062 -2.890 3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.392 -4.595 3.702 1.00 0.00 H new ATOM 0 HG LEU A 60 12.338 -3.111 3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.011 -4.170 1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.231 -5.330 2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.328 -4.673 0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.341 -1.804 1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.632 -2.226 0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.099 -1.227 2.307 1.00 0.00 H new ATOM 862 N CYS A 61 6.927 -4.790 2.534 1.00 0.00 N ATOM 863 CA CYS A 61 6.012 -5.857 2.831 1.00 0.00 C ATOM 864 C CYS A 61 4.999 -6.012 1.703 1.00 0.00 C ATOM 865 O CYS A 61 4.451 -7.092 1.510 1.00 0.00 O ATOM 866 CB CYS A 61 5.310 -5.578 4.160 1.00 0.00 C ATOM 867 SG CYS A 61 4.518 -7.018 4.900 1.00 0.00 S ATOM 0 H CYS A 61 6.481 -3.911 2.270 1.00 0.00 H new ATOM 0 HA CYS A 61 6.565 -6.792 2.919 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.039 -5.177 4.865 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.558 -4.805 4.004 1.00 0.00 H new ATOM 0 HG CYS A 61 5.353 -8.015 4.911 1.00 0.00 H new ATOM 873 N LEU A 62 4.774 -4.936 0.950 1.00 0.00 N ATOM 874 CA LEU A 62 3.817 -4.945 -0.156 1.00 0.00 C ATOM 875 C LEU A 62 4.297 -5.817 -1.318 1.00 0.00 C ATOM 876 O LEU A 62 4.819 -5.298 -2.291 1.00 0.00 O ATOM 877 CB LEU A 62 3.613 -3.529 -0.708 1.00 0.00 C ATOM 878 CG LEU A 62 2.864 -2.498 0.152 1.00 0.00 C ATOM 879 CD1 LEU A 62 1.817 -1.815 -0.692 1.00 0.00 C ATOM 880 CD2 LEU A 62 2.205 -3.105 1.375 1.00 0.00 C ATOM 0 H LEU A 62 5.245 -4.042 1.087 1.00 0.00 H new ATOM 0 HA LEU A 62 2.887 -5.345 0.248 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.597 -3.118 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.080 -3.618 -1.655 1.00 0.00 H new ATOM 0 HG LEU A 62 3.605 -1.784 0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.283 -1.083 -0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.298 -1.311 -1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.113 -2.557 -1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.694 -2.324 1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.483 -3.859 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.964 -3.569 2.005 1.00 0.00 H new ATOM 892 N ARG A 63 4.099 -7.124 -1.234 1.00 0.00 N ATOM 893 CA ARG A 63 4.463 -8.020 -2.328 1.00 0.00 C ATOM 894 C ARG A 63 3.733 -7.634 -3.604 1.00 0.00 C ATOM 895 O ARG A 63 4.361 -7.415 -4.635 1.00 0.00 O ATOM 896 CB ARG A 63 4.133 -9.475 -2.012 1.00 0.00 C ATOM 897 CG ARG A 63 4.988 -10.111 -0.936 1.00 0.00 C ATOM 898 CD ARG A 63 4.718 -11.603 -0.883 1.00 0.00 C ATOM 899 NE ARG A 63 5.366 -12.262 0.245 1.00 0.00 N ATOM 900 CZ ARG A 63 4.810 -13.268 0.913 1.00 0.00 C ATOM 901 NH1 ARG A 63 3.626 -13.738 0.537 1.00 0.00 N ATOM 902 NH2 ARG A 63 5.439 -13.813 1.942 1.00 0.00 N ATOM 0 H ARG A 63 3.690 -7.589 -0.424 1.00 0.00 H new ATOM 0 HA ARG A 63 5.540 -7.922 -2.461 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.088 -9.536 -1.707 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.233 -10.060 -2.926 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.043 -9.930 -1.142 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.769 -9.658 0.031 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.642 -11.770 -0.824 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.062 -12.062 -1.810 1.00 0.00 H new ATOM 0 HE ARG A 63 6.288 -11.936 0.535 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.145 -13.327 -0.263 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.198 -14.510 1.048 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.354 -13.461 2.225 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.009 -14.585 2.452 1.00 0.00 H new ATOM 916 N ARG A 64 2.406 -7.557 -3.534 1.00 0.00 N ATOM 917 CA ARG A 64 1.628 -7.203 -4.717 1.00 0.00 C ATOM 918 C ARG A 64 0.526 -6.199 -4.400 1.00 0.00 C ATOM 919 O ARG A 64 -0.387 -6.480 -3.649 1.00 0.00 O ATOM 920 CB ARG A 64 1.066 -8.457 -5.404 1.00 0.00 C ATOM 921 CG ARG A 64 0.028 -9.261 -4.659 1.00 0.00 C ATOM 922 CD ARG A 64 -0.497 -10.379 -5.548 1.00 0.00 C ATOM 923 NE ARG A 64 0.575 -11.179 -6.147 1.00 0.00 N ATOM 924 CZ ARG A 64 0.700 -12.502 -6.017 1.00 0.00 C ATOM 925 NH1 ARG A 64 -0.068 -13.175 -5.172 1.00 0.00 N ATOM 926 NH2 ARG A 64 1.618 -13.152 -6.722 1.00 0.00 N ATOM 0 H ARG A 64 1.858 -7.730 -2.691 1.00 0.00 H new ATOM 0 HA ARG A 64 2.307 -6.714 -5.415 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.633 -8.152 -6.357 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.902 -9.118 -5.631 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.462 -9.680 -3.751 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.793 -8.614 -4.350 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.145 -11.030 -4.961 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.110 -9.949 -6.340 1.00 0.00 H new ATOM 0 HE ARG A 64 1.276 -10.690 -6.703 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.764 -12.682 -4.612 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.037 -14.186 -5.082 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.226 -12.641 -7.362 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.715 -14.163 -6.624 1.00 0.00 H new ATOM 940 N TYR A 65 0.593 -5.047 -5.039 1.00 0.00 N ATOM 941 CA TYR A 65 -0.282 -3.924 -4.726 1.00 0.00 C ATOM 942 C TYR A 65 -0.946 -3.407 -5.977 1.00 0.00 C ATOM 943 O TYR A 65 -0.326 -3.347 -7.030 1.00 0.00 O ATOM 944 CB TYR A 65 0.505 -2.815 -4.030 1.00 0.00 C ATOM 945 CG TYR A 65 1.762 -2.392 -4.759 1.00 0.00 C ATOM 946 CD1 TYR A 65 2.850 -3.244 -4.860 1.00 0.00 C ATOM 947 CD2 TYR A 65 1.873 -1.130 -5.322 1.00 0.00 C ATOM 948 CE1 TYR A 65 3.997 -2.855 -5.511 1.00 0.00 C ATOM 949 CE2 TYR A 65 3.011 -0.739 -5.958 1.00 0.00 C ATOM 950 CZ TYR A 65 4.073 -1.598 -6.061 1.00 0.00 C ATOM 951 OH TYR A 65 5.218 -1.195 -6.712 1.00 0.00 O ATOM 0 H TYR A 65 1.255 -4.859 -5.792 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.061 -4.269 -4.046 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.142 -1.946 -3.911 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.775 -3.151 -3.029 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.796 -4.229 -4.421 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.041 -0.445 -5.255 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.833 -3.534 -5.590 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.077 0.252 -6.383 1.00 0.00 H new ATOM 0 HH TYR A 65 5.848 -0.819 -6.063 1.00 0.00 H new ATOM 961 N GLY A 66 -2.207 -3.038 -5.864 1.00 0.00 N ATOM 962 CA GLY A 66 -2.986 -2.830 -7.049 1.00 0.00 C ATOM 963 C GLY A 66 -4.039 -1.776 -6.944 1.00 0.00 C ATOM 964 O GLY A 66 -4.129 -1.026 -5.973 1.00 0.00 O ATOM 0 H GLY A 66 -2.697 -2.881 -4.983 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.313 -2.568 -7.865 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.464 -3.772 -7.320 1.00 0.00 H new ATOM 968 N TYR A 67 -4.880 -1.824 -7.944 1.00 0.00 N ATOM 969 CA TYR A 67 -5.923 -0.857 -8.183 1.00 0.00 C ATOM 970 C TYR A 67 -6.905 -1.450 -9.182 1.00 0.00 C ATOM 971 O TYR A 67 -6.509 -1.914 -10.253 1.00 0.00 O ATOM 972 CB TYR A 67 -5.334 0.432 -8.768 1.00 0.00 C ATOM 973 CG TYR A 67 -6.254 1.102 -9.766 1.00 0.00 C ATOM 974 CD1 TYR A 67 -7.515 1.524 -9.382 1.00 0.00 C ATOM 975 CD2 TYR A 67 -5.875 1.289 -11.088 1.00 0.00 C ATOM 976 CE1 TYR A 67 -8.378 2.111 -10.275 1.00 0.00 C ATOM 977 CE2 TYR A 67 -6.732 1.883 -11.993 1.00 0.00 C ATOM 978 CZ TYR A 67 -7.984 2.290 -11.581 1.00 0.00 C ATOM 979 OH TYR A 67 -8.849 2.868 -12.479 1.00 0.00 O ATOM 0 H TYR A 67 -4.857 -2.567 -8.643 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.421 -0.620 -7.243 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.118 1.127 -7.957 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.385 0.204 -9.253 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.827 1.389 -8.357 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.897 0.966 -11.413 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.359 2.430 -9.954 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.424 2.028 -13.018 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.419 2.924 -13.358 1.00 0.00 H new ATOM 989 N ASP A 68 -8.162 -1.463 -8.820 1.00 0.00 N ATOM 990 CA ASP A 68 -9.222 -1.665 -9.770 1.00 0.00 C ATOM 991 C ASP A 68 -10.363 -0.752 -9.365 1.00 0.00 C ATOM 992 O ASP A 68 -10.209 -0.091 -8.355 1.00 0.00 O ATOM 993 CB ASP A 68 -9.624 -3.123 -9.866 1.00 0.00 C ATOM 994 CG ASP A 68 -10.592 -3.370 -11.030 1.00 0.00 C ATOM 995 OD1 ASP A 68 -10.114 -3.631 -12.159 1.00 0.00 O ATOM 996 OD2 ASP A 68 -11.828 -3.285 -10.843 1.00 0.00 O ATOM 0 H ASP A 68 -8.478 -1.334 -7.859 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.895 -1.409 -10.778 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.734 -3.738 -9.997 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.092 -3.434 -8.932 1.00 0.00 H new ATOM 1001 N SER A 69 -11.411 -0.611 -10.184 1.00 0.00 N ATOM 1002 CA SER A 69 -12.568 0.235 -9.873 1.00 0.00 C ATOM 1003 C SER A 69 -12.760 0.489 -8.364 1.00 0.00 C ATOM 1004 O SER A 69 -13.299 -0.355 -7.646 1.00 0.00 O ATOM 1005 CB SER A 69 -13.834 -0.383 -10.475 1.00 0.00 C ATOM 1006 OG SER A 69 -13.888 -1.783 -10.239 1.00 0.00 O ATOM 0 H SER A 69 -11.481 -1.083 -11.086 1.00 0.00 H new ATOM 0 HA SER A 69 -12.374 1.210 -10.320 1.00 0.00 H new ATOM 0 HB2 SER A 69 -14.714 0.095 -10.045 1.00 0.00 H new ATOM 0 HB3 SER A 69 -13.860 -0.192 -11.548 1.00 0.00 H new ATOM 0 HG SER A 69 -13.192 -2.230 -10.764 1.00 0.00 H new ATOM 1012 N ASN A 70 -12.295 1.670 -7.919 1.00 0.00 N ATOM 1013 CA ASN A 70 -12.269 2.077 -6.496 1.00 0.00 C ATOM 1014 C ASN A 70 -11.866 0.952 -5.532 1.00 0.00 C ATOM 1015 O ASN A 70 -12.370 0.866 -4.422 1.00 0.00 O ATOM 1016 CB ASN A 70 -13.583 2.710 -6.044 1.00 0.00 C ATOM 1017 CG ASN A 70 -14.813 1.856 -6.281 1.00 0.00 C ATOM 1018 OD1 ASN A 70 -15.221 1.059 -5.434 1.00 0.00 O ATOM 1019 ND2 ASN A 70 -15.430 2.043 -7.429 1.00 0.00 N ATOM 0 H ASN A 70 -11.920 2.382 -8.545 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.485 2.833 -6.448 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.514 2.936 -4.980 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.711 3.659 -6.564 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -16.278 1.519 -7.644 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.060 2.712 -8.104 1.00 0.00 H new ATOM 1026 N LEU A 71 -10.934 0.121 -5.950 1.00 0.00 N ATOM 1027 CA LEU A 71 -10.388 -0.933 -5.110 1.00 0.00 C ATOM 1028 C LEU A 71 -8.851 -0.860 -5.172 1.00 0.00 C ATOM 1029 O LEU A 71 -8.270 -1.142 -6.215 1.00 0.00 O ATOM 1030 CB LEU A 71 -10.852 -2.307 -5.652 1.00 0.00 C ATOM 1031 CG LEU A 71 -11.695 -3.208 -4.722 1.00 0.00 C ATOM 1032 CD1 LEU A 71 -11.385 -4.693 -4.877 1.00 0.00 C ATOM 1033 CD2 LEU A 71 -11.543 -2.835 -3.268 1.00 0.00 C ATOM 0 H LEU A 71 -10.530 0.155 -6.886 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.731 -0.811 -4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.430 -2.130 -6.559 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.964 -2.867 -5.944 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.724 -3.034 -5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.011 -5.269 -4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.586 -5.002 -5.903 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.335 -4.872 -4.644 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.155 -3.498 -2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.498 -2.933 -2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.866 -1.804 -3.121 1.00 0.00 H new ATOM 1045 N PHE A 72 -8.186 -0.489 -4.084 1.00 0.00 N ATOM 1046 CA PHE A 72 -6.720 -0.513 -4.048 1.00 0.00 C ATOM 1047 C PHE A 72 -6.283 -1.655 -3.155 1.00 0.00 C ATOM 1048 O PHE A 72 -6.891 -1.901 -2.122 1.00 0.00 O ATOM 1049 CB PHE A 72 -6.112 0.831 -3.575 1.00 0.00 C ATOM 1050 CG PHE A 72 -5.081 0.725 -2.485 1.00 0.00 C ATOM 1051 CD1 PHE A 72 -5.467 0.736 -1.164 1.00 0.00 C ATOM 1052 CD2 PHE A 72 -3.721 0.628 -2.776 1.00 0.00 C ATOM 1053 CE1 PHE A 72 -4.524 0.655 -0.171 1.00 0.00 C ATOM 1054 CE2 PHE A 72 -2.795 0.552 -1.785 1.00 0.00 C ATOM 1055 CZ PHE A 72 -3.191 0.568 -0.495 1.00 0.00 C ATOM 0 H PHE A 72 -8.628 -0.171 -3.222 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.349 -0.664 -5.062 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.659 1.327 -4.433 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.921 1.473 -3.226 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.514 0.809 -0.909 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.398 0.613 -3.807 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.829 0.660 0.865 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.745 0.479 -2.029 1.00 0.00 H new ATOM 0 HZ PHE A 72 -2.453 0.512 0.291 1.00 0.00 H new ATOM 1065 N SER A 73 -5.253 -2.364 -3.547 1.00 0.00 N ATOM 1066 CA SER A 73 -4.852 -3.538 -2.806 1.00 0.00 C ATOM 1067 C SER A 73 -3.348 -3.593 -2.593 1.00 0.00 C ATOM 1068 O SER A 73 -2.599 -2.843 -3.215 1.00 0.00 O ATOM 1069 CB SER A 73 -5.320 -4.780 -3.545 1.00 0.00 C ATOM 1070 OG SER A 73 -4.891 -5.967 -2.904 1.00 0.00 O ATOM 0 H SER A 73 -4.682 -2.154 -4.365 1.00 0.00 H new ATOM 0 HA SER A 73 -5.315 -3.491 -1.821 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.408 -4.775 -3.611 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.939 -4.760 -4.566 1.00 0.00 H new ATOM 0 HG SER A 73 -5.252 -5.996 -1.993 1.00 0.00 H new ATOM 1076 N PHE A 74 -2.932 -4.469 -1.691 1.00 0.00 N ATOM 1077 CA PHE A 74 -1.535 -4.818 -1.517 1.00 0.00 C ATOM 1078 C PHE A 74 -1.416 -6.161 -0.785 1.00 0.00 C ATOM 1079 O PHE A 74 -2.228 -6.487 0.083 1.00 0.00 O ATOM 1080 CB PHE A 74 -0.761 -3.711 -0.802 1.00 0.00 C ATOM 1081 CG PHE A 74 -1.387 -3.186 0.447 1.00 0.00 C ATOM 1082 CD1 PHE A 74 -1.680 -4.037 1.491 1.00 0.00 C ATOM 1083 CD2 PHE A 74 -1.655 -1.831 0.591 1.00 0.00 C ATOM 1084 CE1 PHE A 74 -2.234 -3.563 2.647 1.00 0.00 C ATOM 1085 CE2 PHE A 74 -2.203 -1.355 1.760 1.00 0.00 C ATOM 1086 CZ PHE A 74 -2.492 -2.219 2.783 1.00 0.00 C ATOM 0 H PHE A 74 -3.561 -4.960 -1.056 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.082 -4.925 -2.503 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.233 -4.087 -0.558 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -0.626 -2.881 -1.496 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.469 -5.092 1.394 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.433 -1.149 -0.217 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.469 -4.243 3.453 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.405 -0.300 1.871 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.924 -1.844 3.699 1.00 0.00 H new ATOM 1096 N GLU A 75 -0.440 -6.955 -1.186 1.00 0.00 N ATOM 1097 CA GLU A 75 -0.174 -8.240 -0.568 1.00 0.00 C ATOM 1098 C GLU A 75 0.968 -8.107 0.400 1.00 0.00 C ATOM 1099 O GLU A 75 2.116 -8.101 -0.014 1.00 0.00 O ATOM 1100 CB GLU A 75 0.187 -9.277 -1.613 1.00 0.00 C ATOM 1101 CG GLU A 75 0.483 -10.657 -1.048 1.00 0.00 C ATOM 1102 CD GLU A 75 0.833 -11.658 -2.129 1.00 0.00 C ATOM 1103 OE1 GLU A 75 2.002 -11.694 -2.559 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -0.060 -12.415 -2.555 1.00 0.00 O ATOM 0 H GLU A 75 0.193 -6.725 -1.952 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.076 -8.561 -0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.633 -9.358 -2.327 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.059 -8.929 -2.167 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.308 -10.588 -0.339 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.385 -11.014 -0.493 1.00 0.00 H new ATOM 1111 N SER A 76 0.677 -7.992 1.674 1.00 0.00 N ATOM 1112 CA SER A 76 1.737 -7.828 2.635 1.00 0.00 C ATOM 1113 C SER A 76 2.333 -9.195 2.973 1.00 0.00 C ATOM 1114 O SER A 76 1.622 -10.114 3.378 1.00 0.00 O ATOM 1115 CB SER A 76 1.201 -7.102 3.870 1.00 0.00 C ATOM 1116 OG SER A 76 0.237 -7.885 4.560 1.00 0.00 O ATOM 0 H SER A 76 -0.266 -8.009 2.062 1.00 0.00 H new ATOM 0 HA SER A 76 2.537 -7.215 2.220 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.027 -6.866 4.541 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.754 -6.154 3.570 1.00 0.00 H new ATOM 0 HG SER A 76 0.028 -7.464 5.420 1.00 0.00 H new ATOM 1122 N GLY A 77 3.646 -9.312 2.800 1.00 0.00 N ATOM 1123 CA GLY A 77 4.317 -10.594 2.937 1.00 0.00 C ATOM 1124 C GLY A 77 4.788 -10.870 4.344 1.00 0.00 C ATOM 1125 O GLY A 77 5.729 -11.631 4.557 1.00 0.00 O ATOM 0 H GLY A 77 4.263 -8.534 2.565 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.638 -11.388 2.626 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.172 -10.623 2.262 1.00 0.00 H new ATOM 1129 N ARG A 78 4.151 -10.217 5.290 1.00 0.00 N ATOM 1130 CA ARG A 78 4.379 -10.452 6.704 1.00 0.00 C ATOM 1131 C ARG A 78 3.052 -10.330 7.407 1.00 0.00 C ATOM 1132 O ARG A 78 2.031 -10.067 6.766 1.00 0.00 O ATOM 1133 CB ARG A 78 5.352 -9.432 7.299 1.00 0.00 C ATOM 1134 CG ARG A 78 6.769 -9.534 6.775 1.00 0.00 C ATOM 1135 CD ARG A 78 7.664 -8.456 7.367 1.00 0.00 C ATOM 1136 NE ARG A 78 9.019 -8.529 6.827 1.00 0.00 N ATOM 1137 CZ ARG A 78 9.966 -7.618 7.043 1.00 0.00 C ATOM 1138 NH1 ARG A 78 9.721 -6.555 7.799 1.00 0.00 N ATOM 1139 NH2 ARG A 78 11.170 -7.780 6.515 1.00 0.00 N ATOM 0 H ARG A 78 3.452 -9.499 5.100 1.00 0.00 H new ATOM 0 HA ARG A 78 4.816 -11.442 6.833 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.975 -8.429 7.097 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.369 -9.554 8.382 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.176 -10.517 7.013 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.763 -9.446 5.689 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.240 -7.474 7.157 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.697 -8.564 8.451 1.00 0.00 H new ATOM 0 HE ARG A 78 9.256 -9.332 6.245 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.801 -6.430 8.221 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.453 -5.863 7.958 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.370 -8.601 5.944 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.897 -7.083 6.679 1.00 0.00 H new ATOM 1153 N ARG A 79 3.046 -10.494 8.710 1.00 0.00 N ATOM 1154 CA ARG A 79 1.839 -10.257 9.452 1.00 0.00 C ATOM 1155 C ARG A 79 1.750 -8.801 9.829 1.00 0.00 C ATOM 1156 O ARG A 79 2.751 -8.135 10.094 1.00 0.00 O ATOM 1157 CB ARG A 79 1.741 -11.131 10.680 1.00 0.00 C ATOM 1158 CG ARG A 79 1.536 -12.592 10.340 1.00 0.00 C ATOM 1159 CD ARG A 79 1.632 -13.456 11.572 1.00 0.00 C ATOM 1160 NE ARG A 79 1.240 -14.837 11.308 1.00 0.00 N ATOM 1161 CZ ARG A 79 1.681 -15.880 12.004 1.00 0.00 C ATOM 1162 NH1 ARG A 79 2.619 -15.718 12.931 1.00 0.00 N ATOM 1163 NH2 ARG A 79 1.198 -17.089 11.755 1.00 0.00 N ATOM 0 H ARG A 79 3.850 -10.785 9.266 1.00 0.00 H new ATOM 0 HA ARG A 79 0.998 -10.519 8.810 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.650 -11.024 11.271 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.914 -10.787 11.301 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.560 -12.726 9.873 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.284 -12.907 9.612 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.654 -13.436 11.949 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.996 -13.043 12.354 1.00 0.00 H new ATOM 0 HE ARG A 79 0.588 -15.012 10.543 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.003 -14.791 13.111 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.955 -16.521 13.463 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.490 -17.216 11.031 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.534 -17.892 12.287 1.00 0.00 H new ATOM 1177 N CYS A 80 0.540 -8.335 9.853 1.00 0.00 N ATOM 1178 CA CYS A 80 0.238 -6.943 10.078 1.00 0.00 C ATOM 1179 C CYS A 80 -1.026 -6.866 10.910 1.00 0.00 C ATOM 1180 O CYS A 80 -1.664 -7.896 11.139 1.00 0.00 O ATOM 1181 CB CYS A 80 0.075 -6.224 8.739 1.00 0.00 C ATOM 1182 SG CYS A 80 -0.710 -7.233 7.466 1.00 0.00 S ATOM 0 H CYS A 80 -0.286 -8.917 9.715 1.00 0.00 H new ATOM 0 HA CYS A 80 1.049 -6.450 10.614 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.517 -5.321 8.891 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.056 -5.907 8.385 1.00 0.00 H new ATOM 0 HG CYS A 80 0.079 -8.215 7.143 1.00 0.00 H new ATOM 1188 N GLN A 81 -1.376 -5.674 11.364 1.00 0.00 N ATOM 1189 CA GLN A 81 -2.570 -5.465 12.183 1.00 0.00 C ATOM 1190 C GLN A 81 -3.777 -6.237 11.663 1.00 0.00 C ATOM 1191 O GLN A 81 -4.352 -7.055 12.377 1.00 0.00 O ATOM 1192 CB GLN A 81 -2.909 -3.995 12.199 1.00 0.00 C ATOM 1193 CG GLN A 81 -4.066 -3.642 13.095 1.00 0.00 C ATOM 1194 CD GLN A 81 -3.732 -3.719 14.570 1.00 0.00 C ATOM 1195 OE1 GLN A 81 -2.933 -4.549 15.003 1.00 0.00 O ATOM 1196 NE2 GLN A 81 -4.340 -2.846 15.347 1.00 0.00 N ATOM 0 H GLN A 81 -0.846 -4.823 11.179 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.345 -5.831 13.185 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.031 -3.434 12.519 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.139 -3.675 11.183 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.403 -2.633 12.859 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.898 -4.314 12.883 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.995 -2.175 14.945 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.155 -2.841 16.350 1.00 0.00 H new ATOM 1205 N THR A 82 -4.160 -5.982 10.422 1.00 0.00 N ATOM 1206 CA THR A 82 -5.386 -6.552 9.899 1.00 0.00 C ATOM 1207 C THR A 82 -5.240 -7.023 8.444 1.00 0.00 C ATOM 1208 O THR A 82 -6.230 -7.199 7.739 1.00 0.00 O ATOM 1209 CB THR A 82 -6.552 -5.538 10.055 1.00 0.00 C ATOM 1210 OG1 THR A 82 -7.762 -6.030 9.464 1.00 0.00 O ATOM 1211 CG2 THR A 82 -6.189 -4.192 9.450 1.00 0.00 C ATOM 0 H THR A 82 -3.646 -5.392 9.768 1.00 0.00 H new ATOM 0 HA THR A 82 -5.615 -7.443 10.484 1.00 0.00 H new ATOM 0 HB THR A 82 -6.723 -5.408 11.124 1.00 0.00 H new ATOM 0 HG1 THR A 82 -7.552 -6.771 8.858 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.023 -3.501 9.573 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.309 -3.792 9.954 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.974 -4.316 8.389 1.00 0.00 H new ATOM 1219 N GLY A 83 -4.009 -7.261 8.003 1.00 0.00 N ATOM 1220 CA GLY A 83 -3.796 -7.636 6.616 1.00 0.00 C ATOM 1221 C GLY A 83 -3.565 -9.122 6.430 1.00 0.00 C ATOM 1222 O GLY A 83 -4.346 -9.795 5.756 1.00 0.00 O ATOM 0 H GLY A 83 -3.165 -7.202 8.572 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.661 -7.333 6.027 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.937 -7.089 6.226 1.00 0.00 H new ATOM 1226 N GLN A 84 -2.465 -9.610 7.007 1.00 0.00 N ATOM 1227 CA GLN A 84 -2.060 -11.025 6.941 1.00 0.00 C ATOM 1228 C GLN A 84 -1.594 -11.454 5.540 1.00 0.00 C ATOM 1229 O GLN A 84 -0.798 -12.387 5.406 1.00 0.00 O ATOM 1230 CB GLN A 84 -3.182 -11.938 7.446 1.00 0.00 C ATOM 1231 CG GLN A 84 -3.480 -11.749 8.926 1.00 0.00 C ATOM 1232 CD GLN A 84 -4.569 -12.666 9.446 1.00 0.00 C ATOM 1233 OE1 GLN A 84 -4.555 -13.060 10.611 1.00 0.00 O ATOM 1234 NE2 GLN A 84 -5.520 -13.014 8.597 1.00 0.00 N ATOM 0 H GLN A 84 -1.819 -9.030 7.542 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.197 -11.130 7.599 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.087 -11.744 6.871 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -2.906 -12.977 7.266 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.568 -11.921 9.497 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -3.774 -10.714 9.100 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -5.499 -12.668 7.638 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -6.275 -13.629 8.901 1.00 0.00 H new ATOM 1243 N GLY A 85 -2.072 -10.774 4.508 1.00 0.00 N ATOM 1244 CA GLY A 85 -1.678 -11.090 3.146 1.00 0.00 C ATOM 1245 C GLY A 85 -2.210 -10.064 2.170 1.00 0.00 C ATOM 1246 O GLY A 85 -2.013 -8.863 2.367 1.00 0.00 O ATOM 0 H GLY A 85 -2.732 -10.001 4.589 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.591 -11.130 3.079 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.050 -12.079 2.877 1.00 0.00 H new ATOM 1250 N ILE A 86 -2.881 -10.522 1.117 1.00 0.00 N ATOM 1251 CA ILE A 86 -3.586 -9.618 0.221 1.00 0.00 C ATOM 1252 C ILE A 86 -4.719 -8.940 0.970 1.00 0.00 C ATOM 1253 O ILE A 86 -5.700 -9.580 1.352 1.00 0.00 O ATOM 1254 CB ILE A 86 -4.159 -10.325 -1.016 1.00 0.00 C ATOM 1255 CG1 ILE A 86 -3.011 -10.841 -1.878 1.00 0.00 C ATOM 1256 CG2 ILE A 86 -5.035 -9.363 -1.799 1.00 0.00 C ATOM 1257 CD1 ILE A 86 -3.191 -10.648 -3.364 1.00 0.00 C ATOM 0 H ILE A 86 -2.950 -11.508 0.866 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.856 -8.888 -0.128 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.773 -11.171 -0.708 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.093 -10.341 -1.571 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.877 -11.904 -1.679 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.439 -9.870 -2.675 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.855 -9.021 -1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.441 -8.506 -2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.324 -11.046 -3.890 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.088 -11.173 -3.693 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.292 -9.585 -3.583 1.00 0.00 H new ATOM 1269 N PHE A 87 -4.569 -7.658 1.211 1.00 0.00 N ATOM 1270 CA PHE A 87 -5.597 -6.897 1.880 1.00 0.00 C ATOM 1271 C PHE A 87 -5.939 -5.699 1.027 1.00 0.00 C ATOM 1272 O PHE A 87 -5.144 -4.772 0.874 1.00 0.00 O ATOM 1273 CB PHE A 87 -5.123 -6.491 3.280 1.00 0.00 C ATOM 1274 CG PHE A 87 -6.199 -5.989 4.212 1.00 0.00 C ATOM 1275 CD1 PHE A 87 -7.516 -6.419 4.117 1.00 0.00 C ATOM 1276 CD2 PHE A 87 -5.872 -5.089 5.208 1.00 0.00 C ATOM 1277 CE1 PHE A 87 -8.477 -5.950 5.002 1.00 0.00 C ATOM 1278 CE2 PHE A 87 -6.823 -4.623 6.091 1.00 0.00 C ATOM 1279 CZ PHE A 87 -8.123 -5.048 5.992 1.00 0.00 C ATOM 0 H PHE A 87 -3.742 -7.120 0.953 1.00 0.00 H new ATOM 0 HA PHE A 87 -6.497 -7.498 2.010 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.638 -7.350 3.743 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.365 -5.714 3.177 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.795 -7.124 3.348 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.852 -4.744 5.297 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.499 -6.288 4.919 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.543 -3.921 6.863 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.868 -4.681 6.683 1.00 0.00 H new ATOM 1289 N ALA A 88 -7.108 -5.761 0.430 1.00 0.00 N ATOM 1290 CA ALA A 88 -7.541 -4.739 -0.484 1.00 0.00 C ATOM 1291 C ALA A 88 -8.535 -3.807 0.196 1.00 0.00 C ATOM 1292 O ALA A 88 -9.300 -4.216 1.074 1.00 0.00 O ATOM 1293 CB ALA A 88 -8.144 -5.373 -1.716 1.00 0.00 C ATOM 0 H ALA A 88 -7.778 -6.518 0.566 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.680 -4.145 -0.790 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.470 -4.593 -2.404 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.398 -6.000 -2.205 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -9.000 -5.984 -1.429 1.00 0.00 H new ATOM 1299 N PHE A 89 -8.512 -2.553 -0.199 1.00 0.00 N ATOM 1300 CA PHE A 89 -9.422 -1.573 0.339 1.00 0.00 C ATOM 1301 C PHE A 89 -10.094 -0.882 -0.800 1.00 0.00 C ATOM 1302 O PHE A 89 -9.459 -0.519 -1.785 1.00 0.00 O ATOM 1303 CB PHE A 89 -8.726 -0.531 1.203 1.00 0.00 C ATOM 1304 CG PHE A 89 -7.656 -1.108 2.043 1.00 0.00 C ATOM 1305 CD1 PHE A 89 -6.429 -1.297 1.491 1.00 0.00 C ATOM 1306 CD2 PHE A 89 -7.871 -1.469 3.356 1.00 0.00 C ATOM 1307 CE1 PHE A 89 -5.415 -1.844 2.214 1.00 0.00 C ATOM 1308 CE2 PHE A 89 -6.856 -2.018 4.101 1.00 0.00 C ATOM 1309 CZ PHE A 89 -5.621 -2.210 3.526 1.00 0.00 C ATOM 0 H PHE A 89 -7.865 -2.188 -0.898 1.00 0.00 H new ATOM 0 HA PHE A 89 -10.136 -2.096 0.975 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.302 0.242 0.562 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.463 -0.045 1.843 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.256 -1.009 0.464 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.843 -1.319 3.802 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.447 -1.992 1.759 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.026 -2.297 5.130 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.817 -2.646 4.100 1.00 0.00 H new ATOM 1319 N LYS A 90 -11.365 -0.697 -0.659 1.00 0.00 N ATOM 1320 CA LYS A 90 -12.142 -0.060 -1.667 1.00 0.00 C ATOM 1321 C LYS A 90 -11.859 1.434 -1.617 1.00 0.00 C ATOM 1322 O LYS A 90 -12.540 2.194 -0.938 1.00 0.00 O ATOM 1323 CB LYS A 90 -13.592 -0.360 -1.408 1.00 0.00 C ATOM 1324 CG LYS A 90 -14.446 -0.523 -2.634 1.00 0.00 C ATOM 1325 CD LYS A 90 -15.703 -1.296 -2.321 1.00 0.00 C ATOM 1326 CE LYS A 90 -16.396 -0.689 -1.132 1.00 0.00 C ATOM 1327 NZ LYS A 90 -17.667 -1.384 -0.816 1.00 0.00 N ATOM 0 H LYS A 90 -11.895 -0.985 0.163 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.888 -0.425 -2.662 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.656 -1.274 -0.817 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.009 0.443 -0.800 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.708 0.458 -3.032 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.880 -1.041 -3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -16.369 -1.288 -3.184 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.458 -2.338 -2.117 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.735 -0.731 -0.266 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.598 0.364 -1.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -18.328 -0.714 -0.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -18.086 -1.756 -1.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -17.479 -2.170 -0.161 1.00 0.00 H new ATOM 1341 N CYS A 91 -10.813 1.830 -2.309 1.00 0.00 N ATOM 1342 CA CYS A 91 -10.361 3.205 -2.285 1.00 0.00 C ATOM 1343 C CYS A 91 -10.825 3.899 -3.550 1.00 0.00 C ATOM 1344 O CYS A 91 -10.512 3.449 -4.645 1.00 0.00 O ATOM 1345 CB CYS A 91 -8.834 3.291 -2.198 1.00 0.00 C ATOM 1346 SG CYS A 91 -8.223 4.993 -2.183 1.00 0.00 S ATOM 0 H CYS A 91 -10.255 1.214 -2.900 1.00 0.00 H new ATOM 0 HA CYS A 91 -10.781 3.689 -1.403 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -8.498 2.782 -1.295 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -8.397 2.761 -3.044 1.00 0.00 H new ATOM 0 HG CYS A 91 -8.628 5.590 -1.102 1.00 0.00 H new ATOM 1352 N ALA A 92 -11.557 4.989 -3.425 1.00 0.00 N ATOM 1353 CA ALA A 92 -12.035 5.679 -4.610 1.00 0.00 C ATOM 1354 C ALA A 92 -10.889 6.378 -5.324 1.00 0.00 C ATOM 1355 O ALA A 92 -10.977 6.699 -6.505 1.00 0.00 O ATOM 1356 CB ALA A 92 -13.146 6.645 -4.285 1.00 0.00 C ATOM 0 H ALA A 92 -11.830 5.410 -2.537 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.450 4.929 -5.284 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -13.476 7.141 -5.198 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -13.982 6.103 -3.844 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.784 7.391 -3.577 1.00 0.00 H new ATOM 1362 N ARG A 93 -9.812 6.619 -4.597 1.00 0.00 N ATOM 1363 CA ARG A 93 -8.558 7.005 -5.216 1.00 0.00 C ATOM 1364 C ARG A 93 -7.642 5.806 -5.292 1.00 0.00 C ATOM 1365 O ARG A 93 -6.460 5.950 -5.125 1.00 0.00 O ATOM 1366 CB ARG A 93 -7.852 8.132 -4.450 1.00 0.00 C ATOM 1367 CG ARG A 93 -7.872 9.472 -5.170 1.00 0.00 C ATOM 1368 CD ARG A 93 -9.266 9.846 -5.632 1.00 0.00 C ATOM 1369 NE ARG A 93 -9.241 10.899 -6.638 1.00 0.00 N ATOM 1370 CZ ARG A 93 -10.315 11.573 -7.024 1.00 0.00 C ATOM 1371 NH1 ARG A 93 -11.480 11.357 -6.428 1.00 0.00 N ATOM 1372 NH2 ARG A 93 -10.224 12.465 -7.998 1.00 0.00 N ATOM 0 H ARG A 93 -9.781 6.554 -3.580 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.788 7.376 -6.215 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -8.325 8.247 -3.475 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.817 7.843 -4.270 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.490 10.247 -4.505 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.203 9.432 -6.030 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -9.761 8.965 -6.041 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.856 10.175 -4.777 1.00 0.00 H new ATOM 0 HE ARG A 93 -8.346 11.131 -7.070 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -11.548 10.673 -5.674 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -12.308 11.875 -6.723 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -9.327 12.634 -8.452 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -11.051 12.983 -8.294 1.00 0.00 H new ATOM 1386 N ALA A 94 -8.198 4.621 -5.520 1.00 0.00 N ATOM 1387 CA ALA A 94 -7.392 3.406 -5.644 1.00 0.00 C ATOM 1388 C ALA A 94 -6.278 3.612 -6.636 1.00 0.00 C ATOM 1389 O ALA A 94 -5.113 3.445 -6.325 1.00 0.00 O ATOM 1390 CB ALA A 94 -8.228 2.256 -6.150 1.00 0.00 C ATOM 0 H ALA A 94 -9.202 4.473 -5.623 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.995 3.183 -4.654 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.607 1.364 -6.234 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.044 2.066 -5.453 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.637 2.507 -7.129 1.00 0.00 H new ATOM 1396 N GLU A 95 -6.686 3.941 -7.849 1.00 0.00 N ATOM 1397 CA GLU A 95 -5.761 4.263 -8.936 1.00 0.00 C ATOM 1398 C GLU A 95 -4.685 5.215 -8.461 1.00 0.00 C ATOM 1399 O GLU A 95 -3.494 4.968 -8.607 1.00 0.00 O ATOM 1400 CB GLU A 95 -6.511 4.907 -10.102 1.00 0.00 C ATOM 1401 CG GLU A 95 -7.678 5.786 -9.680 1.00 0.00 C ATOM 1402 CD GLU A 95 -8.062 6.782 -10.746 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -8.844 6.431 -11.650 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -7.576 7.926 -10.686 1.00 0.00 O ATOM 0 H GLU A 95 -7.669 3.994 -8.115 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.299 3.332 -9.266 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.811 5.506 -10.684 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.881 4.121 -10.760 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.537 5.157 -9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.416 6.319 -8.766 1.00 0.00 H new ATOM 1411 N GLU A 96 -5.149 6.302 -7.900 1.00 0.00 N ATOM 1412 CA GLU A 96 -4.310 7.356 -7.379 1.00 0.00 C ATOM 1413 C GLU A 96 -3.402 6.845 -6.272 1.00 0.00 C ATOM 1414 O GLU A 96 -2.200 7.080 -6.282 1.00 0.00 O ATOM 1415 CB GLU A 96 -5.222 8.434 -6.850 1.00 0.00 C ATOM 1416 CG GLU A 96 -4.598 9.798 -6.860 1.00 0.00 C ATOM 1417 CD GLU A 96 -4.029 10.173 -8.206 1.00 0.00 C ATOM 1418 OE1 GLU A 96 -4.818 10.524 -9.111 1.00 0.00 O ATOM 1419 OE2 GLU A 96 -2.795 10.143 -8.361 1.00 0.00 O ATOM 0 H GLU A 96 -6.146 6.485 -7.789 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.664 7.741 -8.168 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.133 8.455 -7.448 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.515 8.184 -5.830 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.345 10.536 -6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.805 9.835 -6.113 1.00 0.00 H new ATOM 1426 N LEU A 97 -4.003 6.142 -5.331 1.00 0.00 N ATOM 1427 CA LEU A 97 -3.324 5.591 -4.195 1.00 0.00 C ATOM 1428 C LEU A 97 -2.302 4.577 -4.627 1.00 0.00 C ATOM 1429 O LEU A 97 -1.119 4.740 -4.376 1.00 0.00 O ATOM 1430 CB LEU A 97 -4.347 4.935 -3.292 1.00 0.00 C ATOM 1431 CG LEU A 97 -3.943 4.909 -1.844 1.00 0.00 C ATOM 1432 CD1 LEU A 97 -5.149 4.945 -0.986 1.00 0.00 C ATOM 1433 CD2 LEU A 97 -3.200 3.646 -1.558 1.00 0.00 C ATOM 0 H LEU A 97 -5.002 5.938 -5.344 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.807 6.389 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.295 5.464 -3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.517 3.913 -3.632 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.313 5.774 -1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.851 4.926 0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.711 5.857 -1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.774 4.079 -1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.907 3.626 -0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.841 2.791 -1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.309 3.598 -2.185 1.00 0.00 H new ATOM 1445 N PHE A 98 -2.773 3.535 -5.282 1.00 0.00 N ATOM 1446 CA PHE A 98 -1.904 2.508 -5.792 1.00 0.00 C ATOM 1447 C PHE A 98 -0.723 3.149 -6.514 1.00 0.00 C ATOM 1448 O PHE A 98 0.422 2.887 -6.176 1.00 0.00 O ATOM 1449 CB PHE A 98 -2.677 1.572 -6.729 1.00 0.00 C ATOM 1450 CG PHE A 98 -1.777 0.864 -7.674 1.00 0.00 C ATOM 1451 CD1 PHE A 98 -0.811 0.038 -7.175 1.00 0.00 C ATOM 1452 CD2 PHE A 98 -1.844 1.081 -9.040 1.00 0.00 C ATOM 1453 CE1 PHE A 98 0.092 -0.562 -7.999 1.00 0.00 C ATOM 1454 CE2 PHE A 98 -0.950 0.460 -9.886 1.00 0.00 C ATOM 1455 CZ PHE A 98 0.027 -0.360 -9.357 1.00 0.00 C ATOM 0 H PHE A 98 -3.763 3.382 -5.472 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.524 1.912 -4.962 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.229 0.841 -6.137 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -3.412 2.148 -7.291 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.762 -0.142 -6.111 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.599 1.739 -9.444 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.861 -1.198 -7.585 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.013 0.614 -10.953 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.740 -0.842 -10.010 1.00 0.00 H new ATOM 1465 N ASN A 99 -1.033 4.011 -7.482 1.00 0.00 N ATOM 1466 CA ASN A 99 -0.022 4.796 -8.207 1.00 0.00 C ATOM 1467 C ASN A 99 0.909 5.476 -7.256 1.00 0.00 C ATOM 1468 O ASN A 99 2.086 5.154 -7.246 1.00 0.00 O ATOM 1469 CB ASN A 99 -0.683 5.852 -9.098 1.00 0.00 C ATOM 1470 CG ASN A 99 0.214 6.296 -10.245 1.00 0.00 C ATOM 1471 OD1 ASN A 99 1.096 5.560 -10.690 1.00 0.00 O ATOM 1472 ND2 ASN A 99 -0.017 7.496 -10.749 1.00 0.00 N ATOM 0 H ASN A 99 -1.990 4.188 -7.789 1.00 0.00 H new ATOM 0 HA ASN A 99 0.542 4.101 -8.830 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -1.612 5.450 -9.503 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.948 6.719 -8.492 1.00 0.00 H new ATOM 0 HD21 ASN A 99 0.543 7.838 -11.530 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -0.755 8.080 -10.357 1.00 0.00 H new ATOM 1479 N MET A 100 0.373 6.379 -6.446 1.00 0.00 N ATOM 1480 CA MET A 100 1.164 7.146 -5.501 1.00 0.00 C ATOM 1481 C MET A 100 2.111 6.210 -4.772 1.00 0.00 C ATOM 1482 O MET A 100 3.319 6.400 -4.787 1.00 0.00 O ATOM 1483 CB MET A 100 0.234 7.846 -4.520 1.00 0.00 C ATOM 1484 CG MET A 100 0.924 8.832 -3.604 1.00 0.00 C ATOM 1485 SD MET A 100 0.122 8.959 -2.014 1.00 0.00 S ATOM 1486 CE MET A 100 -1.527 9.318 -2.551 1.00 0.00 C ATOM 0 H MET A 100 -0.623 6.598 -6.428 1.00 0.00 H new ATOM 0 HA MET A 100 1.751 7.902 -6.023 1.00 0.00 H new ATOM 0 HB2 MET A 100 -0.540 8.370 -5.081 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.268 7.093 -3.912 1.00 0.00 H new ATOM 0 HG2 MET A 100 1.961 8.527 -3.462 1.00 0.00 H new ATOM 0 HG3 MET A 100 0.942 9.813 -4.078 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.139 9.588 -1.691 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.507 10.148 -3.257 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.951 8.439 -3.036 1.00 0.00 H new ATOM 1496 N LEU A 101 1.533 5.184 -4.179 1.00 0.00 N ATOM 1497 CA LEU A 101 2.280 4.077 -3.590 1.00 0.00 C ATOM 1498 C LEU A 101 3.408 3.571 -4.498 1.00 0.00 C ATOM 1499 O LEU A 101 4.564 3.572 -4.081 1.00 0.00 O ATOM 1500 CB LEU A 101 1.295 2.949 -3.257 1.00 0.00 C ATOM 1501 CG LEU A 101 1.858 1.542 -3.112 1.00 0.00 C ATOM 1502 CD1 LEU A 101 2.896 1.465 -2.020 1.00 0.00 C ATOM 1503 CD2 LEU A 101 0.725 0.580 -2.832 1.00 0.00 C ATOM 0 H LEU A 101 0.521 5.089 -4.089 1.00 0.00 H new ATOM 0 HA LEU A 101 2.768 4.434 -2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.791 3.207 -2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.533 2.927 -4.036 1.00 0.00 H new ATOM 0 HG LEU A 101 2.352 1.270 -4.045 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.273 0.445 -1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.719 2.141 -2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.447 1.753 -1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.122 -0.430 -2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.222 0.869 -1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.013 0.606 -3.657 1.00 0.00 H new ATOM 1515 N GLN A 102 3.095 3.141 -5.730 1.00 0.00 N ATOM 1516 CA GLN A 102 4.138 2.613 -6.615 1.00 0.00 C ATOM 1517 C GLN A 102 5.231 3.663 -6.836 1.00 0.00 C ATOM 1518 O GLN A 102 6.411 3.330 -6.928 1.00 0.00 O ATOM 1519 CB GLN A 102 3.633 2.132 -7.986 1.00 0.00 C ATOM 1520 CG GLN A 102 2.169 2.073 -8.187 1.00 0.00 C ATOM 1521 CD GLN A 102 1.828 2.251 -9.650 1.00 0.00 C ATOM 1522 OE1 GLN A 102 0.771 2.755 -10.015 1.00 0.00 O ATOM 1523 NE2 GLN A 102 2.751 1.857 -10.497 1.00 0.00 N ATOM 0 H GLN A 102 2.155 3.148 -6.126 1.00 0.00 H new ATOM 0 HA GLN A 102 4.528 1.736 -6.098 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.052 2.788 -8.749 1.00 0.00 H new ATOM 0 HB3 GLN A 102 4.038 1.136 -8.164 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.785 1.117 -7.832 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.683 2.850 -7.597 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.617 1.442 -10.152 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.602 1.966 -11.500 1.00 0.00 H new ATOM 1532 N GLU A 103 4.836 4.940 -6.906 1.00 0.00 N ATOM 1533 CA GLU A 103 5.801 6.024 -7.084 1.00 0.00 C ATOM 1534 C GLU A 103 6.603 6.243 -5.821 1.00 0.00 C ATOM 1535 O GLU A 103 7.807 6.413 -5.890 1.00 0.00 O ATOM 1536 CB GLU A 103 5.149 7.355 -7.470 1.00 0.00 C ATOM 1537 CG GLU A 103 3.672 7.297 -7.719 1.00 0.00 C ATOM 1538 CD GLU A 103 3.131 8.579 -8.304 1.00 0.00 C ATOM 1539 OE1 GLU A 103 2.987 9.568 -7.554 1.00 0.00 O ATOM 1540 OE2 GLU A 103 2.864 8.607 -9.523 1.00 0.00 O ATOM 0 H GLU A 103 3.864 5.243 -6.843 1.00 0.00 H new ATOM 0 HA GLU A 103 6.446 5.707 -7.903 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.339 8.077 -6.676 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.638 7.733 -8.368 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.454 6.472 -8.397 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.157 7.084 -6.782 1.00 0.00 H new ATOM 1547 N ILE A 104 5.949 6.266 -4.670 1.00 0.00 N ATOM 1548 CA ILE A 104 6.673 6.374 -3.416 1.00 0.00 C ATOM 1549 C ILE A 104 7.673 5.234 -3.312 1.00 0.00 C ATOM 1550 O ILE A 104 8.812 5.428 -2.888 1.00 0.00 O ATOM 1551 CB ILE A 104 5.756 6.377 -2.186 1.00 0.00 C ATOM 1552 CG1 ILE A 104 5.015 7.696 -2.086 1.00 0.00 C ATOM 1553 CG2 ILE A 104 6.578 6.169 -0.946 1.00 0.00 C ATOM 1554 CD1 ILE A 104 3.526 7.562 -2.148 1.00 0.00 C ATOM 0 H ILE A 104 4.934 6.212 -4.579 1.00 0.00 H new ATOM 0 HA ILE A 104 7.186 7.336 -3.424 1.00 0.00 H new ATOM 0 HB ILE A 104 5.030 5.570 -2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.287 8.184 -1.150 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.345 8.349 -2.894 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.926 6.171 -0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.096 5.212 -1.009 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.309 6.972 -0.855 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.068 8.548 -2.070 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.241 7.104 -3.095 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.182 6.936 -1.324 1.00 0.00 H new ATOM 1566 N MET A 105 7.243 4.058 -3.750 1.00 0.00 N ATOM 1567 CA MET A 105 8.111 2.894 -3.815 1.00 0.00 C ATOM 1568 C MET A 105 9.364 3.195 -4.636 1.00 0.00 C ATOM 1569 O MET A 105 10.464 2.743 -4.320 1.00 0.00 O ATOM 1570 CB MET A 105 7.376 1.713 -4.427 1.00 0.00 C ATOM 1571 CG MET A 105 6.292 1.142 -3.537 1.00 0.00 C ATOM 1572 SD MET A 105 6.000 -0.590 -3.880 1.00 0.00 S ATOM 1573 CE MET A 105 5.079 -1.042 -2.428 1.00 0.00 C ATOM 0 H MET A 105 6.289 3.886 -4.068 1.00 0.00 H new ATOM 0 HA MET A 105 8.408 2.643 -2.797 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.931 2.024 -5.372 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.096 0.928 -4.657 1.00 0.00 H new ATOM 0 HG2 MET A 105 6.577 1.263 -2.492 1.00 0.00 H new ATOM 0 HG3 MET A 105 5.369 1.703 -3.682 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.652 -1.762 -1.843 1.00 0.00 H new ATOM 0 HE2 MET A 105 4.890 -0.153 -1.826 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.130 -1.489 -2.724 1.00 0.00 H new ATOM 1583 N GLN A 106 9.173 3.975 -5.687 1.00 0.00 N ATOM 1584 CA GLN A 106 10.245 4.345 -6.597 1.00 0.00 C ATOM 1585 C GLN A 106 11.070 5.508 -6.058 1.00 0.00 C ATOM 1586 O GLN A 106 12.298 5.464 -6.020 1.00 0.00 O ATOM 1587 CB GLN A 106 9.640 4.718 -7.938 1.00 0.00 C ATOM 1588 CG GLN A 106 9.055 3.527 -8.643 1.00 0.00 C ATOM 1589 CD GLN A 106 10.125 2.546 -9.048 1.00 0.00 C ATOM 1590 OE1 GLN A 106 10.642 2.584 -10.164 1.00 0.00 O ATOM 1591 NE2 GLN A 106 10.495 1.683 -8.130 1.00 0.00 N ATOM 0 H GLN A 106 8.266 4.371 -5.934 1.00 0.00 H new ATOM 0 HA GLN A 106 10.917 3.493 -6.705 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.864 5.468 -7.789 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.406 5.172 -8.567 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.335 3.033 -7.990 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.509 3.858 -9.527 1.00 0.00 H new ATOM 0 HE21 GLN A 106 10.041 1.684 -7.217 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.236 1.012 -8.330 1.00 0.00 H new ATOM 1600 N ASN A 107 10.366 6.531 -5.612 1.00 0.00 N ATOM 1601 CA ASN A 107 10.965 7.811 -5.272 1.00 0.00 C ATOM 1602 C ASN A 107 11.506 7.840 -3.843 1.00 0.00 C ATOM 1603 O ASN A 107 12.223 8.766 -3.467 1.00 0.00 O ATOM 1604 CB ASN A 107 9.936 8.920 -5.480 1.00 0.00 C ATOM 1605 CG ASN A 107 9.600 9.143 -6.946 1.00 0.00 C ATOM 1606 OD1 ASN A 107 10.257 9.921 -7.637 1.00 0.00 O ATOM 1607 ND2 ASN A 107 8.572 8.463 -7.429 1.00 0.00 N ATOM 0 H ASN A 107 9.356 6.499 -5.474 1.00 0.00 H new ATOM 0 HA ASN A 107 11.819 7.969 -5.931 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.025 8.671 -4.937 1.00 0.00 H new ATOM 0 HB3 ASN A 107 10.317 9.848 -5.054 1.00 0.00 H new ATOM 0 HD21 ASN A 107 8.300 8.575 -8.406 1.00 0.00 H new ATOM 0 HD22 ASN A 107 8.052 7.827 -6.824 1.00 0.00 H new ATOM 1614 N ASN A 108 11.165 6.840 -3.041 1.00 0.00 N ATOM 1615 CA ASN A 108 11.715 6.754 -1.692 1.00 0.00 C ATOM 1616 C ASN A 108 12.696 5.612 -1.565 1.00 0.00 C ATOM 1617 O ASN A 108 13.613 5.677 -0.750 1.00 0.00 O ATOM 1618 CB ASN A 108 10.628 6.633 -0.617 1.00 0.00 C ATOM 1619 CG ASN A 108 9.947 7.962 -0.365 1.00 0.00 C ATOM 1620 OD1 ASN A 108 10.357 8.721 0.510 1.00 0.00 O ATOM 1621 ND2 ASN A 108 8.918 8.268 -1.138 1.00 0.00 N ATOM 0 H ASN A 108 10.522 6.089 -3.293 1.00 0.00 H new ATOM 0 HA ASN A 108 12.243 7.693 -1.523 1.00 0.00 H new ATOM 0 HB2 ASN A 108 9.887 5.897 -0.928 1.00 0.00 H new ATOM 0 HB3 ASN A 108 11.070 6.268 0.310 1.00 0.00 H new ATOM 0 HD21 ASN A 108 8.437 9.159 -1.018 1.00 0.00 H new ATOM 0 HD22 ASN A 108 8.606 7.613 -1.854 1.00 0.00 H new ATOM 1628 N SER A 109 12.496 4.563 -2.368 1.00 0.00 N ATOM 1629 CA SER A 109 13.318 3.345 -2.308 1.00 0.00 C ATOM 1630 C SER A 109 13.047 2.573 -1.011 1.00 0.00 C ATOM 1631 O SER A 109 13.145 1.345 -0.977 1.00 0.00 O ATOM 1632 CB SER A 109 14.802 3.690 -2.444 1.00 0.00 C ATOM 1633 OG SER A 109 15.019 4.506 -3.582 1.00 0.00 O ATOM 0 H SER A 109 11.763 4.531 -3.077 1.00 0.00 H new ATOM 0 HA SER A 109 13.044 2.702 -3.145 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.145 4.207 -1.548 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.388 2.775 -2.528 1.00 0.00 H new ATOM 0 HG SER A 109 15.973 4.720 -3.654 1.00 0.00 H new ATOM 1639 N ILE A 110 12.682 3.313 0.036 1.00 0.00 N ATOM 1640 CA ILE A 110 12.179 2.758 1.278 1.00 0.00 C ATOM 1641 C ILE A 110 13.266 2.075 2.101 1.00 0.00 C ATOM 1642 O ILE A 110 13.565 0.891 1.925 1.00 0.00 O ATOM 1643 CB ILE A 110 10.990 1.813 1.055 1.00 0.00 C ATOM 1644 CG1 ILE A 110 9.781 2.591 0.568 1.00 0.00 C ATOM 1645 CG2 ILE A 110 10.646 1.109 2.337 1.00 0.00 C ATOM 1646 CD1 ILE A 110 9.868 3.113 -0.841 1.00 0.00 C ATOM 0 H ILE A 110 12.731 4.332 0.038 1.00 0.00 H new ATOM 0 HA ILE A 110 11.822 3.610 1.856 1.00 0.00 H new ATOM 0 HB ILE A 110 11.269 1.078 0.300 1.00 0.00 H new ATOM 0 HG12 ILE A 110 8.903 1.949 0.645 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.619 3.434 1.239 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.801 0.441 2.170 1.00 0.00 H new ATOM 0 HG22 ILE A 110 11.505 0.530 2.676 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.382 1.845 3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.953 3.652 -1.086 1.00 0.00 H new ATOM 0 HD12 ILE A 110 10.721 3.787 -0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 110 9.993 2.279 -1.531 1.00 0.00 H new ATOM 1658 N ASN A 111 13.864 2.843 2.996 1.00 0.00 N ATOM 1659 CA ASN A 111 14.759 2.294 3.998 1.00 0.00 C ATOM 1660 C ASN A 111 14.281 2.713 5.367 1.00 0.00 C ATOM 1661 O ASN A 111 13.745 3.810 5.538 1.00 0.00 O ATOM 1662 CB ASN A 111 16.207 2.768 3.799 1.00 0.00 C ATOM 1663 CG ASN A 111 16.786 2.348 2.460 1.00 0.00 C ATOM 1664 OD1 ASN A 111 16.560 2.997 1.436 1.00 0.00 O ATOM 1665 ND2 ASN A 111 17.569 1.283 2.463 1.00 0.00 N ATOM 0 H ASN A 111 13.744 3.855 3.048 1.00 0.00 H new ATOM 0 HA ASN A 111 14.749 1.208 3.900 1.00 0.00 H new ATOM 0 HB2 ASN A 111 16.243 3.854 3.880 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.829 2.368 4.600 1.00 0.00 H new ATOM 0 HD21 ASN A 111 18.010 0.972 1.598 1.00 0.00 H new ATOM 0 HD22 ASN A 111 17.732 0.772 3.331 1.00 0.00 H new ATOM 1672 N VAL A 112 14.432 1.832 6.331 1.00 0.00 N ATOM 1673 CA VAL A 112 14.122 2.158 7.701 1.00 0.00 C ATOM 1674 C VAL A 112 15.408 2.186 8.493 1.00 0.00 C ATOM 1675 O VAL A 112 15.722 1.227 9.197 1.00 0.00 O ATOM 1676 CB VAL A 112 13.153 1.144 8.326 1.00 0.00 C ATOM 1677 CG1 VAL A 112 12.616 1.663 9.652 1.00 0.00 C ATOM 1678 CG2 VAL A 112 12.018 0.835 7.371 1.00 0.00 C ATOM 0 H VAL A 112 14.769 0.880 6.188 1.00 0.00 H new ATOM 0 HA VAL A 112 13.633 3.132 7.722 1.00 0.00 H new ATOM 0 HB VAL A 112 13.699 0.220 8.518 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.931 0.930 10.079 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.445 1.829 10.340 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.087 2.602 9.488 1.00 0.00 H new ATOM 0 HG21 VAL A 112 11.341 0.115 7.831 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.473 1.752 7.145 1.00 0.00 H new ATOM 0 HG23 VAL A 112 12.422 0.416 6.449 1.00 0.00 H new ATOM 1688 N VAL A 113 16.144 3.288 8.323 1.00 0.00 N ATOM 1689 CA VAL A 113 17.463 3.532 8.924 1.00 0.00 C ATOM 1690 C VAL A 113 18.486 2.427 8.629 1.00 0.00 C ATOM 1691 O VAL A 113 19.430 2.637 7.869 1.00 0.00 O ATOM 1692 CB VAL A 113 17.416 3.839 10.457 1.00 0.00 C ATOM 1693 CG1 VAL A 113 16.866 2.697 11.316 1.00 0.00 C ATOM 1694 CG2 VAL A 113 18.785 4.217 10.925 1.00 0.00 C ATOM 0 H VAL A 113 15.828 4.065 7.742 1.00 0.00 H new ATOM 0 HA VAL A 113 17.806 4.439 8.426 1.00 0.00 H new ATOM 0 HB VAL A 113 16.715 4.664 10.584 1.00 0.00 H new ATOM 0 HG11 VAL A 113 16.869 2.996 12.364 1.00 0.00 H new ATOM 0 HG12 VAL A 113 15.846 2.468 11.007 1.00 0.00 H new ATOM 0 HG13 VAL A 113 17.491 1.813 11.189 1.00 0.00 H new ATOM 0 HG21 VAL A 113 18.758 4.432 11.993 1.00 0.00 H new ATOM 0 HG22 VAL A 113 19.474 3.393 10.738 1.00 0.00 H new ATOM 0 HG23 VAL A 113 19.123 5.102 10.385 1.00 0.00 H new ATOM 1704 N GLU A 114 18.279 1.270 9.215 1.00 0.00 N ATOM 1705 CA GLU A 114 19.206 0.167 9.142 1.00 0.00 C ATOM 1706 C GLU A 114 19.319 -0.383 7.729 1.00 0.00 C ATOM 1707 O GLU A 114 18.320 -0.511 7.016 1.00 0.00 O ATOM 1708 CB GLU A 114 18.745 -0.927 10.087 1.00 0.00 C ATOM 1709 CG GLU A 114 19.012 -0.627 11.530 1.00 0.00 C ATOM 1710 CD GLU A 114 18.574 -1.755 12.436 1.00 0.00 C ATOM 1711 OE1 GLU A 114 17.357 -1.914 12.653 1.00 0.00 O ATOM 1712 OE2 GLU A 114 19.448 -2.498 12.927 1.00 0.00 O ATOM 0 H GLU A 114 17.445 1.067 9.766 1.00 0.00 H new ATOM 0 HA GLU A 114 20.193 0.527 9.432 1.00 0.00 H new ATOM 0 HB2 GLU A 114 17.676 -1.087 9.950 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.243 -1.859 9.820 1.00 0.00 H new ATOM 0 HG2 GLU A 114 20.077 -0.443 11.670 1.00 0.00 H new ATOM 0 HG3 GLU A 114 18.490 0.287 11.812 1.00 0.00 H new ATOM 1719 N GLU A 115 20.538 -0.687 7.328 1.00 0.00 N ATOM 1720 CA GLU A 115 20.795 -1.293 6.049 1.00 0.00 C ATOM 1721 C GLU A 115 20.688 -2.809 6.150 1.00 0.00 C ATOM 1722 O GLU A 115 21.311 -3.423 7.019 1.00 0.00 O ATOM 1723 CB GLU A 115 22.194 -0.913 5.582 1.00 0.00 C ATOM 1724 CG GLU A 115 22.471 -1.330 4.161 1.00 0.00 C ATOM 1725 CD GLU A 115 23.875 -0.998 3.715 1.00 0.00 C ATOM 1726 OE1 GLU A 115 24.782 -1.828 3.932 1.00 0.00 O ATOM 1727 OE2 GLU A 115 24.080 0.094 3.142 1.00 0.00 O ATOM 0 H GLU A 115 21.375 -0.518 7.885 1.00 0.00 H new ATOM 0 HA GLU A 115 20.056 -0.935 5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 115 22.320 0.166 5.670 1.00 0.00 H new ATOM 0 HB3 GLU A 115 22.929 -1.375 6.241 1.00 0.00 H new ATOM 0 HG2 GLU A 115 22.309 -2.403 4.064 1.00 0.00 H new ATOM 0 HG3 GLU A 115 21.759 -0.839 3.498 1.00 0.00 H new ATOM 1734 N PRO A 116 19.883 -3.435 5.282 1.00 0.00 N ATOM 1735 CA PRO A 116 19.832 -4.895 5.150 1.00 0.00 C ATOM 1736 C PRO A 116 21.092 -5.449 4.480 1.00 0.00 C ATOM 1737 O PRO A 116 21.009 -6.339 3.629 1.00 0.00 O ATOM 1738 CB PRO A 116 18.611 -5.150 4.262 1.00 0.00 C ATOM 1739 CG PRO A 116 17.890 -3.854 4.190 1.00 0.00 C ATOM 1740 CD PRO A 116 18.922 -2.782 4.388 1.00 0.00 C ATOM 0 HA PRO A 116 19.769 -5.384 6.122 1.00 0.00 H new ATOM 0 HB2 PRO A 116 18.912 -5.487 3.270 1.00 0.00 H new ATOM 0 HB3 PRO A 116 17.976 -5.929 4.684 1.00 0.00 H new ATOM 0 HG2 PRO A 116 17.392 -3.740 3.227 1.00 0.00 H new ATOM 0 HG3 PRO A 116 17.118 -3.796 4.957 1.00 0.00 H new ATOM 0 HD2 PRO A 116 19.382 -2.481 3.447 1.00 0.00 H new ATOM 0 HD3 PRO A 116 18.495 -1.884 4.835 1.00 0.00 H new ATOM 1748 N VAL A 117 22.245 -4.920 4.921 1.00 0.00 N ATOM 1749 CA VAL A 117 23.570 -5.146 4.326 1.00 0.00 C ATOM 1750 C VAL A 117 23.550 -5.148 2.801 1.00 0.00 C ATOM 1751 O VAL A 117 23.155 -6.119 2.153 1.00 0.00 O ATOM 1752 CB VAL A 117 24.292 -6.403 4.879 1.00 0.00 C ATOM 1753 CG1 VAL A 117 24.577 -6.243 6.364 1.00 0.00 C ATOM 1754 CG2 VAL A 117 23.484 -7.653 4.632 1.00 0.00 C ATOM 0 H VAL A 117 22.280 -4.301 5.731 1.00 0.00 H new ATOM 0 HA VAL A 117 24.159 -4.284 4.639 1.00 0.00 H new ATOM 0 HB VAL A 117 25.238 -6.504 4.348 1.00 0.00 H new ATOM 0 HG11 VAL A 117 25.084 -7.134 6.735 1.00 0.00 H new ATOM 0 HG12 VAL A 117 25.213 -5.372 6.521 1.00 0.00 H new ATOM 0 HG13 VAL A 117 23.639 -6.108 6.902 1.00 0.00 H new ATOM 0 HG21 VAL A 117 24.017 -8.516 5.031 1.00 0.00 H new ATOM 0 HG22 VAL A 117 22.516 -7.564 5.126 1.00 0.00 H new ATOM 0 HG23 VAL A 117 23.334 -7.783 3.560 1.00 0.00 H new ATOM 1764 N VAL A 118 23.977 -4.032 2.233 1.00 0.00 N ATOM 1765 CA VAL A 118 24.080 -3.913 0.791 1.00 0.00 C ATOM 1766 C VAL A 118 25.075 -4.944 0.268 1.00 0.00 C ATOM 1767 O VAL A 118 26.240 -4.960 0.672 1.00 0.00 O ATOM 1768 CB VAL A 118 24.474 -2.486 0.346 1.00 0.00 C ATOM 1769 CG1 VAL A 118 25.836 -2.076 0.881 1.00 0.00 C ATOM 1770 CG2 VAL A 118 24.429 -2.389 -1.166 1.00 0.00 C ATOM 0 H VAL A 118 24.257 -3.198 2.749 1.00 0.00 H new ATOM 0 HA VAL A 118 23.096 -4.107 0.364 1.00 0.00 H new ATOM 0 HB VAL A 118 23.751 -1.789 0.769 1.00 0.00 H new ATOM 0 HG11 VAL A 118 26.071 -1.067 0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 118 25.821 -2.099 1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 118 26.594 -2.767 0.514 1.00 0.00 H new ATOM 0 HG21 VAL A 118 24.707 -1.381 -1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 118 25.127 -3.106 -1.598 1.00 0.00 H new ATOM 0 HG23 VAL A 118 23.420 -2.609 -1.515 1.00 0.00 H new ATOM 1780 N GLU A 119 24.588 -5.816 -0.609 1.00 0.00 N ATOM 1781 CA GLU A 119 25.335 -6.986 -1.059 1.00 0.00 C ATOM 1782 C GLU A 119 25.482 -7.980 0.092 1.00 0.00 C ATOM 1783 O GLU A 119 26.331 -7.818 0.971 1.00 0.00 O ATOM 1784 CB GLU A 119 26.711 -6.601 -1.617 1.00 0.00 C ATOM 1785 CG GLU A 119 27.443 -7.758 -2.273 1.00 0.00 C ATOM 1786 CD GLU A 119 26.710 -8.285 -3.486 1.00 0.00 C ATOM 1787 OE1 GLU A 119 25.768 -9.090 -3.319 1.00 0.00 O ATOM 1788 OE2 GLU A 119 27.061 -7.889 -4.615 1.00 0.00 O ATOM 0 H GLU A 119 23.662 -5.731 -1.029 1.00 0.00 H new ATOM 0 HA GLU A 119 24.776 -7.453 -1.870 1.00 0.00 H new ATOM 0 HB2 GLU A 119 26.588 -5.799 -2.345 1.00 0.00 H new ATOM 0 HB3 GLU A 119 27.325 -6.205 -0.808 1.00 0.00 H new ATOM 0 HG2 GLU A 119 28.441 -7.434 -2.567 1.00 0.00 H new ATOM 0 HG3 GLU A 119 27.569 -8.563 -1.549 1.00 0.00 H new ATOM 1795 N ARG A 120 24.635 -9.004 0.090 1.00 0.00 N ATOM 1796 CA ARG A 120 24.632 -10.002 1.154 1.00 0.00 C ATOM 1797 C ARG A 120 25.846 -10.922 1.058 1.00 0.00 C ATOM 1798 O ARG A 120 25.754 -12.052 0.580 1.00 0.00 O ATOM 1799 CB ARG A 120 23.342 -10.826 1.127 1.00 0.00 C ATOM 1800 CG ARG A 120 22.273 -10.330 2.089 1.00 0.00 C ATOM 1801 CD ARG A 120 21.773 -8.942 1.724 1.00 0.00 C ATOM 1802 NE ARG A 120 21.109 -8.922 0.424 1.00 0.00 N ATOM 1803 CZ ARG A 120 20.716 -7.813 -0.198 1.00 0.00 C ATOM 1804 NH1 ARG A 120 20.993 -6.617 0.312 1.00 0.00 N ATOM 1805 NH2 ARG A 120 20.066 -7.905 -1.345 1.00 0.00 N ATOM 0 H ARG A 120 23.940 -9.165 -0.639 1.00 0.00 H new ATOM 0 HA ARG A 120 24.685 -9.467 2.102 1.00 0.00 H new ATOM 0 HB2 ARG A 120 22.938 -10.817 0.115 1.00 0.00 H new ATOM 0 HB3 ARG A 120 23.580 -11.863 1.366 1.00 0.00 H new ATOM 0 HG2 ARG A 120 21.435 -11.028 2.090 1.00 0.00 H new ATOM 0 HG3 ARG A 120 22.676 -10.315 3.101 1.00 0.00 H new ATOM 0 HD2 ARG A 120 21.080 -8.594 2.490 1.00 0.00 H new ATOM 0 HD3 ARG A 120 22.612 -8.246 1.713 1.00 0.00 H new ATOM 0 HE ARG A 120 20.935 -9.815 -0.037 1.00 0.00 H new ATOM 0 HH11 ARG A 120 21.511 -6.543 1.188 1.00 0.00 H new ATOM 0 HH12 ARG A 120 20.687 -5.773 -0.172 1.00 0.00 H new ATOM 0 HH21 ARG A 120 19.869 -8.821 -1.747 1.00 0.00 H new ATOM 0 HH22 ARG A 120 19.761 -7.060 -1.828 1.00 0.00 H new ATOM 1819 N ASN A 121 26.984 -10.411 1.502 1.00 0.00 N ATOM 1820 CA ASN A 121 28.210 -11.192 1.582 1.00 0.00 C ATOM 1821 C ASN A 121 28.618 -11.369 3.039 1.00 0.00 C ATOM 1822 O ASN A 121 29.751 -11.745 3.348 1.00 0.00 O ATOM 1823 CB ASN A 121 29.339 -10.513 0.789 1.00 0.00 C ATOM 1824 CG ASN A 121 29.614 -9.079 1.227 1.00 0.00 C ATOM 1825 OD1 ASN A 121 29.434 -8.714 2.390 1.00 0.00 O ATOM 1826 ND2 ASN A 121 30.046 -8.253 0.291 1.00 0.00 N ATOM 0 H ASN A 121 27.084 -9.446 1.816 1.00 0.00 H new ATOM 0 HA ASN A 121 28.028 -12.173 1.143 1.00 0.00 H new ATOM 0 HB2 ASN A 121 30.252 -11.099 0.898 1.00 0.00 H new ATOM 0 HB3 ASN A 121 29.082 -10.518 -0.270 1.00 0.00 H new ATOM 0 HD21 ASN A 121 30.242 -7.279 0.521 1.00 0.00 H new ATOM 0 HD22 ASN A 121 30.184 -8.589 -0.662 1.00 0.00 H new ATOM 1833 N ASN A 122 27.682 -11.080 3.931 1.00 0.00 N ATOM 1834 CA ASN A 122 27.926 -11.168 5.362 1.00 0.00 C ATOM 1835 C ASN A 122 27.008 -12.208 5.981 1.00 0.00 C ATOM 1836 O ASN A 122 25.819 -11.896 6.201 1.00 0.00 O ATOM 1837 CB ASN A 122 27.716 -9.803 6.028 1.00 0.00 C ATOM 1838 CG ASN A 122 27.939 -9.844 7.529 1.00 0.00 C ATOM 1839 OD1 ASN A 122 29.069 -9.728 8.002 1.00 0.00 O ATOM 1840 ND2 ASN A 122 26.866 -9.982 8.293 1.00 0.00 N ATOM 1841 OXT ASN A 122 27.470 -13.340 6.226 1.00 0.00 O ATOM 0 H ASN A 122 26.739 -10.780 3.685 1.00 0.00 H new ATOM 0 HA ASN A 122 28.961 -11.471 5.524 1.00 0.00 H new ATOM 0 HB2 ASN A 122 28.397 -9.077 5.583 1.00 0.00 H new ATOM 0 HB3 ASN A 122 26.703 -9.456 5.824 1.00 0.00 H new ATOM 0 HD21 ASN A 122 26.961 -9.995 9.308 1.00 0.00 H new ATOM 0 HD22 ASN A 122 25.944 -10.076 7.866 1.00 0.00 H new TER 1848 ASN A 122 ATOM 1849 N GLY B 493 -5.079 -13.608 -12.919 1.00 0.00 N ATOM 1850 CA GLY B 493 -4.019 -14.376 -12.226 1.00 0.00 C ATOM 1851 C GLY B 493 -4.047 -14.147 -10.731 1.00 0.00 C ATOM 1852 O GLY B 493 -4.928 -13.450 -10.232 1.00 0.00 O ATOM 0 HA2 GLY B 493 -4.145 -15.439 -12.434 1.00 0.00 H new ATOM 0 HA3 GLY B 493 -3.044 -14.088 -12.620 1.00 0.00 H new ATOM 1858 N PRO B 494 -3.081 -14.713 -9.989 1.00 0.00 N ATOM 1859 CA PRO B 494 -3.020 -14.592 -8.530 1.00 0.00 C ATOM 1860 C PRO B 494 -2.775 -13.158 -8.087 1.00 0.00 C ATOM 1861 O PRO B 494 -3.096 -12.783 -6.957 1.00 0.00 O ATOM 1862 CB PRO B 494 -1.829 -15.473 -8.134 1.00 0.00 C ATOM 1863 CG PRO B 494 -1.566 -16.333 -9.322 1.00 0.00 C ATOM 1864 CD PRO B 494 -1.974 -15.520 -10.511 1.00 0.00 C ATOM 0 HA PRO B 494 -3.958 -14.891 -8.063 1.00 0.00 H new ATOM 0 HB2 PRO B 494 -0.957 -14.868 -7.885 1.00 0.00 H new ATOM 0 HB3 PRO B 494 -2.060 -16.075 -7.255 1.00 0.00 H new ATOM 0 HG2 PRO B 494 -0.513 -16.609 -9.380 1.00 0.00 H new ATOM 0 HG3 PRO B 494 -2.136 -17.260 -9.268 1.00 0.00 H new ATOM 0 HD2 PRO B 494 -1.157 -14.898 -10.875 1.00 0.00 H new ATOM 0 HD3 PRO B 494 -2.290 -16.150 -11.343 1.00 0.00 H new ATOM 1872 N ASP B 495 -2.203 -12.362 -8.984 1.00 0.00 N ATOM 1873 CA ASP B 495 -1.907 -10.972 -8.684 1.00 0.00 C ATOM 1874 C ASP B 495 -3.184 -10.189 -8.504 1.00 0.00 C ATOM 1875 O ASP B 495 -3.364 -9.508 -7.505 1.00 0.00 O ATOM 1876 CB ASP B 495 -1.059 -10.341 -9.788 1.00 0.00 C ATOM 1877 CG ASP B 495 0.345 -10.896 -9.821 1.00 0.00 C ATOM 1878 OD1 ASP B 495 1.211 -10.379 -9.086 1.00 0.00 O ATOM 1879 OD2 ASP B 495 0.595 -11.853 -10.582 1.00 0.00 O ATOM 0 H ASP B 495 -1.937 -12.658 -9.923 1.00 0.00 H new ATOM 0 HA ASP B 495 -1.338 -10.943 -7.755 1.00 0.00 H new ATOM 0 HB2 ASP B 495 -1.537 -10.511 -10.753 1.00 0.00 H new ATOM 0 HB3 ASP B 495 -1.017 -9.262 -9.639 1.00 0.00 H new ATOM 1884 N ALA B 496 -4.106 -10.302 -9.427 1.00 0.00 N ATOM 1885 CA ALA B 496 -5.360 -9.631 -9.226 1.00 0.00 C ATOM 1886 C ALA B 496 -6.039 -10.210 -8.013 1.00 0.00 C ATOM 1887 O ALA B 496 -6.263 -11.415 -7.907 1.00 0.00 O ATOM 1888 CB ALA B 496 -6.252 -9.671 -10.442 1.00 0.00 C ATOM 0 H ALA B 496 -4.017 -10.832 -10.294 1.00 0.00 H new ATOM 0 HA ALA B 496 -5.156 -8.574 -9.057 1.00 0.00 H new ATOM 0 HB1 ALA B 496 -7.184 -9.148 -10.227 1.00 0.00 H new ATOM 0 HB2 ALA B 496 -5.748 -9.187 -11.279 1.00 0.00 H new ATOM 0 HB3 ALA B 496 -6.469 -10.708 -10.700 1.00 0.00 H new ATOM 1894 N VAL B 497 -6.254 -9.344 -7.057 1.00 0.00 N ATOM 1895 CA VAL B 497 -6.992 -9.698 -5.861 1.00 0.00 C ATOM 1896 C VAL B 497 -8.457 -9.499 -6.139 1.00 0.00 C ATOM 1897 O VAL B 497 -8.908 -8.395 -6.408 1.00 0.00 O ATOM 1898 CB VAL B 497 -6.532 -8.862 -4.620 1.00 0.00 C ATOM 1899 CG1 VAL B 497 -5.325 -8.041 -4.973 1.00 0.00 C ATOM 1900 CG2 VAL B 497 -7.634 -7.955 -4.082 1.00 0.00 C ATOM 0 H VAL B 497 -5.927 -8.378 -7.080 1.00 0.00 H new ATOM 0 HA VAL B 497 -6.796 -10.741 -5.612 1.00 0.00 H new ATOM 0 HB VAL B 497 -6.283 -9.572 -3.831 1.00 0.00 H new ATOM 0 HG11 VAL B 497 -5.012 -7.462 -4.104 1.00 0.00 H new ATOM 0 HG12 VAL B 497 -4.514 -8.701 -5.282 1.00 0.00 H new ATOM 0 HG13 VAL B 497 -5.572 -7.363 -5.790 1.00 0.00 H new ATOM 0 HG21 VAL B 497 -7.260 -7.399 -3.222 1.00 0.00 H new ATOM 0 HG22 VAL B 497 -7.942 -7.256 -4.860 1.00 0.00 H new ATOM 0 HG23 VAL B 497 -8.488 -8.561 -3.779 1.00 0.00 H new ATOM 1910 N ILE B 498 -9.220 -10.554 -6.149 1.00 0.00 N ATOM 1911 CA ILE B 498 -10.580 -10.367 -6.537 1.00 0.00 C ATOM 1912 C ILE B 498 -11.394 -10.196 -5.295 1.00 0.00 C ATOM 1913 O ILE B 498 -12.036 -11.133 -4.811 1.00 0.00 O ATOM 1914 CB ILE B 498 -11.199 -11.459 -7.430 1.00 0.00 C ATOM 1915 CG1 ILE B 498 -10.337 -11.889 -8.638 1.00 0.00 C ATOM 1916 CG2 ILE B 498 -12.545 -10.955 -7.948 1.00 0.00 C ATOM 1917 CD1 ILE B 498 -8.989 -11.252 -8.770 1.00 0.00 C ATOM 0 H ILE B 498 -8.941 -11.504 -5.906 1.00 0.00 H new ATOM 0 HA ILE B 498 -10.588 -9.483 -7.174 1.00 0.00 H new ATOM 0 HB ILE B 498 -11.291 -12.344 -6.800 1.00 0.00 H new ATOM 0 HG12 ILE B 498 -10.198 -12.969 -8.588 1.00 0.00 H new ATOM 0 HG13 ILE B 498 -10.901 -11.682 -9.548 1.00 0.00 H new ATOM 0 HG21 ILE B 498 -12.999 -11.716 -8.583 1.00 0.00 H new ATOM 0 HG22 ILE B 498 -13.204 -10.746 -7.105 1.00 0.00 H new ATOM 0 HG23 ILE B 498 -12.394 -10.043 -8.526 1.00 0.00 H new ATOM 0 HD11 ILE B 498 -8.488 -11.640 -9.657 1.00 0.00 H new ATOM 0 HD12 ILE B 498 -9.104 -10.172 -8.862 1.00 0.00 H new ATOM 0 HD13 ILE B 498 -8.391 -11.479 -7.887 1.00 0.00 H new ATOM 1929 N ILE B 499 -11.359 -8.989 -4.760 1.00 0.00 N ATOM 1930 CA ILE B 499 -12.003 -8.753 -3.507 1.00 0.00 C ATOM 1931 C ILE B 499 -13.472 -8.455 -3.771 1.00 0.00 C ATOM 1932 O ILE B 499 -13.871 -7.313 -4.002 1.00 0.00 O ATOM 1933 CB ILE B 499 -11.280 -7.638 -2.690 1.00 0.00 C ATOM 1934 CG1 ILE B 499 -10.083 -8.206 -1.912 1.00 0.00 C ATOM 1935 CG2 ILE B 499 -12.226 -6.926 -1.745 1.00 0.00 C ATOM 1936 CD1 ILE B 499 -10.154 -9.692 -1.637 1.00 0.00 C ATOM 0 H ILE B 499 -10.898 -8.179 -5.174 1.00 0.00 H new ATOM 0 HA ILE B 499 -11.942 -9.642 -2.879 1.00 0.00 H new ATOM 0 HB ILE B 499 -10.913 -6.908 -3.411 1.00 0.00 H new ATOM 0 HG12 ILE B 499 -9.171 -7.997 -2.472 1.00 0.00 H new ATOM 0 HG13 ILE B 499 -10.001 -7.678 -0.962 1.00 0.00 H new ATOM 0 HG21 ILE B 499 -11.682 -6.158 -1.196 1.00 0.00 H new ATOM 0 HG22 ILE B 499 -13.031 -6.463 -2.316 1.00 0.00 H new ATOM 0 HG23 ILE B 499 -12.647 -7.645 -1.042 1.00 0.00 H new ATOM 0 HD11 ILE B 499 -9.267 -10.002 -1.084 1.00 0.00 H new ATOM 0 HD12 ILE B 499 -11.044 -9.911 -1.048 1.00 0.00 H new ATOM 0 HD13 ILE B 499 -10.201 -10.235 -2.581 1.00 0.00 H new ATOM 1948 N GLY B 500 -14.241 -9.547 -3.779 1.00 0.00 N ATOM 1949 CA GLY B 500 -15.680 -9.512 -3.998 1.00 0.00 C ATOM 1950 C GLY B 500 -16.122 -8.573 -5.093 1.00 0.00 C ATOM 1951 O GLY B 500 -16.162 -8.943 -6.266 1.00 0.00 O ATOM 0 H GLY B 500 -13.874 -10.487 -3.632 1.00 0.00 H new ATOM 0 HA2 GLY B 500 -16.023 -10.518 -4.239 1.00 0.00 H new ATOM 0 HA3 GLY B 500 -16.170 -9.222 -3.068 1.00 0.00 H new ATOM 1955 N MET B 501 -16.470 -7.363 -4.677 1.00 0.00 N ATOM 1956 CA MET B 501 -16.911 -6.308 -5.552 1.00 0.00 C ATOM 1957 C MET B 501 -15.996 -6.149 -6.763 1.00 0.00 C ATOM 1958 O MET B 501 -16.476 -5.983 -7.884 1.00 0.00 O ATOM 1959 CB MET B 501 -16.965 -5.014 -4.738 1.00 0.00 C ATOM 1960 CG MET B 501 -17.840 -3.947 -5.337 1.00 0.00 C ATOM 1961 SD MET B 501 -17.061 -3.035 -6.687 1.00 0.00 S ATOM 1962 CE MET B 501 -15.721 -2.204 -5.829 1.00 0.00 C ATOM 0 H MET B 501 -16.450 -7.090 -3.694 1.00 0.00 H new ATOM 0 HA MET B 501 -17.898 -6.554 -5.944 1.00 0.00 H new ATOM 0 HB2 MET B 501 -17.325 -5.243 -3.735 1.00 0.00 H new ATOM 0 HB3 MET B 501 -15.954 -4.622 -4.632 1.00 0.00 H new ATOM 0 HG2 MET B 501 -18.757 -4.407 -5.704 1.00 0.00 H new ATOM 0 HG3 MET B 501 -18.127 -3.244 -4.555 1.00 0.00 H new ATOM 0 HE1 MET B 501 -14.920 -1.982 -6.534 1.00 0.00 H new ATOM 0 HE2 MET B 501 -16.089 -1.275 -5.393 1.00 0.00 H new ATOM 0 HE3 MET B 501 -15.339 -2.850 -5.038 1.00 0.00 H new ATOM 1972 N THR B 502 -14.684 -6.214 -6.556 1.00 0.00 N ATOM 1973 CA THR B 502 -13.767 -5.928 -7.648 1.00 0.00 C ATOM 1974 C THR B 502 -12.490 -6.766 -7.637 1.00 0.00 C ATOM 1975 O THR B 502 -11.945 -7.097 -6.588 1.00 0.00 O ATOM 1976 CB THR B 502 -13.446 -4.422 -7.647 1.00 0.00 C ATOM 1977 OG1 THR B 502 -14.414 -3.708 -8.420 1.00 0.00 O ATOM 1978 CG2 THR B 502 -12.073 -4.126 -8.177 1.00 0.00 C ATOM 0 H THR B 502 -14.244 -6.455 -5.668 1.00 0.00 H new ATOM 0 HA THR B 502 -14.271 -6.211 -8.572 1.00 0.00 H new ATOM 0 HB THR B 502 -13.480 -4.095 -6.608 1.00 0.00 H new ATOM 0 HG1 THR B 502 -13.973 -2.980 -8.906 1.00 0.00 H new ATOM 0 HG21 THR B 502 -11.898 -3.050 -8.154 1.00 0.00 H new ATOM 0 HG22 THR B 502 -11.328 -4.628 -7.559 1.00 0.00 H new ATOM 0 HG23 THR B 502 -11.994 -4.485 -9.203 1.00 0.00 H new ATOM 1986 N LYS B 503 -12.043 -7.123 -8.841 1.00 0.00 N ATOM 1987 CA LYS B 503 -10.766 -7.765 -9.038 1.00 0.00 C ATOM 1988 C LYS B 503 -9.652 -6.745 -9.202 1.00 0.00 C ATOM 1989 O LYS B 503 -9.659 -5.967 -10.144 1.00 0.00 O ATOM 1990 CB LYS B 503 -10.832 -8.694 -10.246 1.00 0.00 C ATOM 1991 CG LYS B 503 -9.532 -8.791 -11.025 1.00 0.00 C ATOM 1992 CD LYS B 503 -9.420 -10.085 -11.811 1.00 0.00 C ATOM 1993 CE LYS B 503 -10.754 -10.531 -12.379 1.00 0.00 C ATOM 1994 NZ LYS B 503 -10.631 -11.813 -13.120 1.00 0.00 N ATOM 0 H LYS B 503 -12.566 -6.970 -9.703 1.00 0.00 H new ATOM 0 HA LYS B 503 -10.539 -8.355 -8.150 1.00 0.00 H new ATOM 0 HB2 LYS B 503 -11.117 -9.691 -9.909 1.00 0.00 H new ATOM 0 HB3 LYS B 503 -11.619 -8.347 -10.915 1.00 0.00 H new ATOM 0 HG2 LYS B 503 -9.459 -7.946 -11.710 1.00 0.00 H new ATOM 0 HG3 LYS B 503 -8.692 -8.715 -10.335 1.00 0.00 H new ATOM 0 HD2 LYS B 503 -8.707 -9.953 -12.625 1.00 0.00 H new ATOM 0 HD3 LYS B 503 -9.023 -10.867 -11.164 1.00 0.00 H new ATOM 0 HE2 LYS B 503 -11.475 -10.646 -11.570 1.00 0.00 H new ATOM 0 HE3 LYS B 503 -11.142 -9.761 -13.045 1.00 0.00 H new ATOM 0 HZ1 LYS B 503 -11.561 -12.088 -13.495 1.00 0.00 H new ATOM 0 HZ2 LYS B 503 -9.962 -11.696 -13.907 1.00 0.00 H new ATOM 0 HZ3 LYS B 503 -10.284 -12.553 -12.477 1.00 0.00 H new ATOM 2008 N ILE B 504 -8.687 -6.779 -8.291 1.00 0.00 N ATOM 2009 CA ILE B 504 -7.620 -5.811 -8.260 1.00 0.00 C ATOM 2010 C ILE B 504 -6.367 -6.332 -8.895 1.00 0.00 C ATOM 2011 O ILE B 504 -5.619 -7.078 -8.280 1.00 0.00 O ATOM 2012 CB ILE B 504 -7.254 -5.409 -6.841 1.00 0.00 C ATOM 2013 CG1 ILE B 504 -8.487 -4.965 -6.105 1.00 0.00 C ATOM 2014 CG2 ILE B 504 -6.259 -4.284 -6.887 1.00 0.00 C ATOM 2015 CD1 ILE B 504 -8.175 -4.145 -4.890 1.00 0.00 C ATOM 0 H ILE B 504 -8.631 -7.484 -7.556 1.00 0.00 H new ATOM 0 HA ILE B 504 -8.002 -4.954 -8.815 1.00 0.00 H new ATOM 0 HB ILE B 504 -6.817 -6.262 -6.322 1.00 0.00 H new ATOM 0 HG12 ILE B 504 -9.117 -4.383 -6.778 1.00 0.00 H new ATOM 0 HG13 ILE B 504 -9.063 -5.842 -5.808 1.00 0.00 H new ATOM 0 HG21 ILE B 504 -5.993 -3.992 -5.871 1.00 0.00 H new ATOM 0 HG22 ILE B 504 -5.364 -4.611 -7.417 1.00 0.00 H new ATOM 0 HG23 ILE B 504 -6.697 -3.432 -7.407 1.00 0.00 H new ATOM 0 HD11 ILE B 504 -9.104 -3.853 -4.400 1.00 0.00 H new ATOM 0 HD12 ILE B 504 -7.570 -4.733 -4.200 1.00 0.00 H new ATOM 0 HD13 ILE B 504 -7.624 -3.252 -5.185 1.00 0.00 H new ATOM 2027 N PRO B 505 -6.082 -5.879 -10.093 1.00 0.00 N ATOM 2028 CA PRO B 505 -4.892 -6.272 -10.800 1.00 0.00 C ATOM 2029 C PRO B 505 -3.699 -5.534 -10.215 1.00 0.00 C ATOM 2030 O PRO B 505 -3.469 -4.351 -10.490 1.00 0.00 O ATOM 2031 CB PRO B 505 -5.213 -5.861 -12.227 1.00 0.00 C ATOM 2032 CG PRO B 505 -6.083 -4.667 -12.078 1.00 0.00 C ATOM 2033 CD PRO B 505 -6.862 -4.883 -10.822 1.00 0.00 C ATOM 0 HA PRO B 505 -4.632 -7.329 -10.735 1.00 0.00 H new ATOM 0 HB2 PRO B 505 -4.308 -5.626 -12.787 1.00 0.00 H new ATOM 0 HB3 PRO B 505 -5.723 -6.660 -12.766 1.00 0.00 H new ATOM 0 HG2 PRO B 505 -5.488 -3.755 -12.017 1.00 0.00 H new ATOM 0 HG3 PRO B 505 -6.747 -4.558 -12.936 1.00 0.00 H new ATOM 0 HD2 PRO B 505 -6.965 -3.960 -10.252 1.00 0.00 H new ATOM 0 HD3 PRO B 505 -7.870 -5.241 -11.033 1.00 0.00 H new ATOM 2041 N VAL B 506 -3.007 -6.213 -9.321 1.00 0.00 N ATOM 2042 CA VAL B 506 -1.911 -5.606 -8.599 1.00 0.00 C ATOM 2043 C VAL B 506 -0.573 -5.794 -9.313 1.00 0.00 C ATOM 2044 O VAL B 506 -0.470 -6.502 -10.318 1.00 0.00 O ATOM 2045 CB VAL B 506 -1.812 -6.208 -7.190 1.00 0.00 C ATOM 2046 CG1 VAL B 506 -3.118 -6.068 -6.422 1.00 0.00 C ATOM 2047 CG2 VAL B 506 -1.450 -7.651 -7.288 1.00 0.00 C ATOM 0 H VAL B 506 -3.186 -7.187 -9.078 1.00 0.00 H new ATOM 0 HA VAL B 506 -2.119 -4.538 -8.543 1.00 0.00 H new ATOM 0 HB VAL B 506 -1.042 -5.660 -6.648 1.00 0.00 H new ATOM 0 HG11 VAL B 506 -3.006 -6.506 -5.430 1.00 0.00 H new ATOM 0 HG12 VAL B 506 -3.372 -5.012 -6.325 1.00 0.00 H new ATOM 0 HG13 VAL B 506 -3.913 -6.585 -6.959 1.00 0.00 H new ATOM 0 HG21 VAL B 506 -1.380 -8.077 -6.287 1.00 0.00 H new ATOM 0 HG22 VAL B 506 -2.216 -8.180 -7.855 1.00 0.00 H new ATOM 0 HG23 VAL B 506 -0.489 -7.752 -7.793 1.00 0.00 H new ATOM 2057 N ILE B 507 0.438 -5.135 -8.774 1.00 0.00 N ATOM 2058 CA ILE B 507 1.799 -5.191 -9.281 1.00 0.00 C ATOM 2059 C ILE B 507 2.736 -5.523 -8.128 1.00 0.00 C ATOM 2060 O ILE B 507 2.352 -5.383 -6.973 1.00 0.00 O ATOM 2061 CB ILE B 507 2.204 -3.853 -9.926 1.00 0.00 C ATOM 2062 CG1 ILE B 507 2.455 -2.814 -8.869 1.00 0.00 C ATOM 2063 CG2 ILE B 507 1.085 -3.355 -10.813 1.00 0.00 C ATOM 2064 CD1 ILE B 507 3.070 -1.540 -9.391 1.00 0.00 C ATOM 0 H ILE B 507 0.334 -4.534 -7.956 1.00 0.00 H new ATOM 0 HA ILE B 507 1.864 -5.962 -10.049 1.00 0.00 H new ATOM 0 HB ILE B 507 3.111 -4.017 -10.507 1.00 0.00 H new ATOM 0 HG12 ILE B 507 1.511 -2.575 -8.379 1.00 0.00 H new ATOM 0 HG13 ILE B 507 3.111 -3.236 -8.108 1.00 0.00 H new ATOM 0 HG21 ILE B 507 1.375 -2.408 -11.268 1.00 0.00 H new ATOM 0 HG22 ILE B 507 0.887 -4.088 -11.595 1.00 0.00 H new ATOM 0 HG23 ILE B 507 0.185 -3.210 -10.216 1.00 0.00 H new ATOM 0 HD11 ILE B 507 3.219 -0.843 -8.566 1.00 0.00 H new ATOM 0 HD12 ILE B 507 4.031 -1.763 -9.855 1.00 0.00 H new ATOM 0 HD13 ILE B 507 2.406 -1.091 -10.130 1.00 0.00 H new ATOM 2076 N GLU B 508 3.943 -5.968 -8.418 1.00 0.00 N ATOM 2077 CA GLU B 508 4.842 -6.410 -7.360 1.00 0.00 C ATOM 2078 C GLU B 508 5.913 -5.364 -7.068 1.00 0.00 C ATOM 2079 O GLU B 508 6.456 -4.738 -7.982 1.00 0.00 O ATOM 2080 CB GLU B 508 5.441 -7.766 -7.721 1.00 0.00 C ATOM 2081 CG GLU B 508 4.380 -8.845 -7.856 1.00 0.00 C ATOM 2082 CD GLU B 508 4.942 -10.191 -8.250 1.00 0.00 C ATOM 2083 OE1 GLU B 508 5.600 -10.841 -7.414 1.00 0.00 O ATOM 2084 OE2 GLU B 508 4.715 -10.613 -9.403 1.00 0.00 O ATOM 0 H GLU B 508 4.324 -6.034 -9.362 1.00 0.00 H new ATOM 0 HA GLU B 508 4.272 -6.530 -6.439 1.00 0.00 H new ATOM 0 HB2 GLU B 508 5.991 -7.680 -8.658 1.00 0.00 H new ATOM 0 HB3 GLU B 508 6.159 -8.059 -6.956 1.00 0.00 H new ATOM 0 HG2 GLU B 508 3.850 -8.944 -6.909 1.00 0.00 H new ATOM 0 HG3 GLU B 508 3.647 -8.533 -8.600 1.00 0.00 H new ATOM 2091 N ASN B 509 6.197 -5.180 -5.777 1.00 0.00 N ATOM 2092 CA ASN B 509 7.007 -4.056 -5.301 1.00 0.00 C ATOM 2093 C ASN B 509 8.472 -4.172 -5.694 1.00 0.00 C ATOM 2094 O ASN B 509 9.078 -5.241 -5.614 1.00 0.00 O ATOM 2095 CB ASN B 509 6.895 -3.905 -3.778 1.00 0.00 C ATOM 2096 CG ASN B 509 7.577 -5.009 -2.985 1.00 0.00 C ATOM 2097 OD1 ASN B 509 7.701 -6.147 -3.432 1.00 0.00 O ATOM 2098 ND2 ASN B 509 8.000 -4.679 -1.778 1.00 0.00 N ATOM 0 H ASN B 509 5.874 -5.802 -5.036 1.00 0.00 H new ATOM 0 HA ASN B 509 6.605 -3.168 -5.789 1.00 0.00 H new ATOM 0 HB2 ASN B 509 7.326 -2.947 -3.488 1.00 0.00 H new ATOM 0 HB3 ASN B 509 5.840 -3.876 -3.505 1.00 0.00 H new ATOM 0 HD21 ASN B 509 8.446 -5.379 -1.185 1.00 0.00 H new ATOM 0 HD22 ASN B 509 7.881 -3.724 -1.439 1.00 0.00 H new ATOM 2105 N PRO B 510 9.064 -3.050 -6.122 1.00 0.00 N ATOM 2106 CA PRO B 510 10.490 -2.970 -6.413 1.00 0.00 C ATOM 2107 C PRO B 510 11.339 -2.917 -5.146 1.00 0.00 C ATOM 2108 O PRO B 510 12.553 -2.810 -5.223 1.00 0.00 O ATOM 2109 CB PRO B 510 10.640 -1.658 -7.196 1.00 0.00 C ATOM 2110 CG PRO B 510 9.251 -1.183 -7.471 1.00 0.00 C ATOM 2111 CD PRO B 510 8.391 -1.775 -6.399 1.00 0.00 C ATOM 0 HA PRO B 510 10.831 -3.849 -6.960 1.00 0.00 H new ATOM 0 HB2 PRO B 510 11.198 -0.920 -6.619 1.00 0.00 H new ATOM 0 HB3 PRO B 510 11.189 -1.818 -8.124 1.00 0.00 H new ATOM 0 HG2 PRO B 510 9.201 -0.094 -7.454 1.00 0.00 H new ATOM 0 HG3 PRO B 510 8.918 -1.502 -8.459 1.00 0.00 H new ATOM 0 HD2 PRO B 510 8.348 -1.138 -5.515 1.00 0.00 H new ATOM 0 HD3 PRO B 510 7.365 -1.922 -6.736 1.00 0.00 H new ATOM 2119 N GLN B 511 10.702 -2.977 -3.978 1.00 0.00 N ATOM 2120 CA GLN B 511 11.442 -2.973 -2.718 1.00 0.00 C ATOM 2121 C GLN B 511 12.152 -4.308 -2.529 1.00 0.00 C ATOM 2122 O GLN B 511 13.324 -4.357 -2.170 1.00 0.00 O ATOM 2123 CB GLN B 511 10.517 -2.701 -1.524 1.00 0.00 C ATOM 2124 CG GLN B 511 10.031 -1.258 -1.378 1.00 0.00 C ATOM 2125 CD GLN B 511 10.137 -0.444 -2.650 1.00 0.00 C ATOM 2126 OE1 GLN B 511 9.241 -0.466 -3.486 1.00 0.00 O ATOM 2127 NE2 GLN B 511 11.225 0.295 -2.794 1.00 0.00 N ATOM 0 H GLN B 511 9.688 -3.028 -3.878 1.00 0.00 H new ATOM 0 HA GLN B 511 12.178 -2.170 -2.763 1.00 0.00 H new ATOM 0 HB2 GLN B 511 9.646 -3.352 -1.606 1.00 0.00 H new ATOM 0 HB3 GLN B 511 11.040 -2.983 -0.610 1.00 0.00 H new ATOM 0 HG2 GLN B 511 8.992 -1.266 -1.049 1.00 0.00 H new ATOM 0 HG3 GLN B 511 10.609 -0.768 -0.595 1.00 0.00 H new ATOM 0 HE21 GLN B 511 11.948 0.285 -2.074 1.00 0.00 H new ATOM 0 HE22 GLN B 511 11.341 0.875 -3.625 1.00 0.00 H new HETATM 2136 N PTR B 512 11.436 -5.389 -2.811 1.00 0.00 N HETATM 2137 CA PTR B 512 11.976 -6.738 -2.665 1.00 0.00 C HETATM 2138 C PTR B 512 13.092 -7.003 -3.660 1.00 0.00 C HETATM 2139 O PTR B 512 13.971 -7.833 -3.422 1.00 0.00 O HETATM 2140 CB PTR B 512 10.870 -7.776 -2.856 1.00 0.00 C HETATM 2141 CG PTR B 512 9.963 -7.928 -1.661 1.00 0.00 C HETATM 2142 CD1 PTR B 512 9.847 -6.918 -0.719 1.00 0.00 C HETATM 2143 CD2 PTR B 512 9.231 -9.087 -1.472 1.00 0.00 C HETATM 2144 CE1 PTR B 512 9.035 -7.056 0.373 1.00 0.00 C HETATM 2145 CE2 PTR B 512 8.408 -9.236 -0.379 1.00 0.00 C HETATM 2146 CZ PTR B 512 8.313 -8.220 0.543 1.00 0.00 C HETATM 2147 OH PTR B 512 7.507 -8.375 1.643 1.00 0.00 O HETATM 2148 P PTR B 512 8.123 -9.136 2.937 1.00 0.00 P HETATM 2149 O1P PTR B 512 9.596 -8.784 2.922 1.00 0.00 O HETATM 2150 O2P PTR B 512 7.692 -10.653 2.722 1.00 0.00 O HETATM 2151 O3P PTR B 512 7.461 -8.416 4.086 1.00 0.00 O HETATM 0 HE2 PTR B 512 7.835 -10.154 -0.245 1.00 0.00 H new HETATM 0 HE1 PTR B 512 8.959 -6.252 1.105 1.00 0.00 H new HETATM 0 HD2 PTR B 512 9.307 -9.895 -2.200 1.00 0.00 H new HETATM 0 HD1 PTR B 512 10.414 -5.996 -0.851 1.00 0.00 H new HETATM 0 HB3 PTR B 512 10.270 -7.498 -3.722 1.00 0.00 H new HETATM 0 HB2 PTR B 512 11.325 -8.741 -3.080 1.00 0.00 H new HETATM 0 HA PTR B 512 12.386 -6.818 -1.658 1.00 0.00 H new ATOM 2161 N PHE B 513 13.057 -6.298 -4.775 1.00 0.00 N ATOM 2162 CA PHE B 513 14.039 -6.491 -5.825 1.00 0.00 C ATOM 2163 C PHE B 513 14.746 -5.186 -6.152 1.00 0.00 C ATOM 2164 O PHE B 513 15.196 -4.969 -7.275 1.00 0.00 O ATOM 2165 CB PHE B 513 13.372 -7.079 -7.056 1.00 0.00 C ATOM 2166 CG PHE B 513 12.842 -8.450 -6.818 1.00 0.00 C ATOM 2167 CD1 PHE B 513 13.691 -9.523 -6.933 1.00 0.00 C ATOM 2168 CD2 PHE B 513 11.516 -8.670 -6.483 1.00 0.00 C ATOM 2169 CE1 PHE B 513 13.243 -10.801 -6.720 1.00 0.00 C ATOM 2170 CE2 PHE B 513 11.054 -9.954 -6.266 1.00 0.00 C ATOM 2171 CZ PHE B 513 11.921 -11.024 -6.386 1.00 0.00 C ATOM 0 H PHE B 513 12.357 -5.584 -4.977 1.00 0.00 H new ATOM 0 HA PHE B 513 14.795 -7.193 -5.474 1.00 0.00 H new ATOM 0 HB2 PHE B 513 12.557 -6.427 -7.370 1.00 0.00 H new ATOM 0 HB3 PHE B 513 14.090 -7.108 -7.875 1.00 0.00 H new ATOM 0 HD1 PHE B 513 14.726 -9.358 -7.195 1.00 0.00 H new ATOM 0 HD2 PHE B 513 10.839 -7.833 -6.391 1.00 0.00 H new ATOM 0 HE1 PHE B 513 13.924 -11.634 -6.813 1.00 0.00 H new ATOM 0 HE2 PHE B 513 10.020 -10.121 -6.004 1.00 0.00 H new ATOM 0 HZ PHE B 513 11.566 -12.030 -6.219 1.00 0.00 H new ATOM 2181 N GLY B 514 14.838 -4.322 -5.151 1.00 0.00 N ATOM 2182 CA GLY B 514 15.503 -3.048 -5.321 1.00 0.00 C ATOM 2183 C GLY B 514 16.484 -2.774 -4.209 1.00 0.00 C ATOM 2184 O GLY B 514 17.049 -1.682 -4.119 1.00 0.00 O ATOM 0 H GLY B 514 14.460 -4.484 -4.217 1.00 0.00 H new ATOM 0 HA2 GLY B 514 16.026 -3.036 -6.278 1.00 0.00 H new ATOM 0 HA3 GLY B 514 14.759 -2.252 -5.354 1.00 0.00 H new ATOM 2188 N ILE B 515 16.687 -3.767 -3.359 1.00 0.00 N ATOM 2189 CA ILE B 515 17.633 -3.662 -2.263 1.00 0.00 C ATOM 2190 C ILE B 515 18.810 -4.591 -2.536 1.00 0.00 C ATOM 2191 O ILE B 515 18.779 -5.753 -2.084 1.00 0.00 O ATOM 2192 CB ILE B 515 16.981 -4.029 -0.905 1.00 0.00 C ATOM 2193 CG1 ILE B 515 15.754 -3.148 -0.632 1.00 0.00 C ATOM 2194 CG2 ILE B 515 17.988 -3.899 0.231 1.00 0.00 C ATOM 2195 CD1 ILE B 515 16.063 -1.669 -0.534 1.00 0.00 C ATOM 2196 OXT ILE B 515 19.741 -4.169 -3.251 1.00 0.00 O ATOM 0 H ILE B 515 16.203 -4.664 -3.409 1.00 0.00 H new ATOM 0 HA ILE B 515 17.971 -2.628 -2.197 1.00 0.00 H new ATOM 0 HB ILE B 515 16.654 -5.067 -0.960 1.00 0.00 H new ATOM 0 HG12 ILE B 515 15.024 -3.304 -1.427 1.00 0.00 H new ATOM 0 HG13 ILE B 515 15.287 -3.473 0.298 1.00 0.00 H new ATOM 0 HG21 ILE B 515 17.509 -4.161 1.174 1.00 0.00 H new ATOM 0 HG22 ILE B 515 18.828 -4.571 0.052 1.00 0.00 H new ATOM 0 HG23 ILE B 515 18.349 -2.872 0.281 1.00 0.00 H new ATOM 0 HD11 ILE B 515 15.143 -1.117 -0.340 1.00 0.00 H new ATOM 0 HD12 ILE B 515 16.767 -1.498 0.280 1.00 0.00 H new ATOM 0 HD13 ILE B 515 16.501 -1.326 -1.471 1.00 0.00 H new TER 2208 ILE B 515