USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 927 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 78 ASN : amide:sc= -0.317! C(o=0.71!,f=-9.6!) USER MOD Set 1.2: B 80 LYS NZ :NH3+ 170:sc= 1.02 (180deg=-0.0263) USER MOD Set 2.1: B 54 ASN :FLIP amide:sc= -1.74! C(o=-5.8!,f=-3.7!) USER MOD Set 2.2: B 59 SER OG : rot -135:sc= -1.94! USER MOD Set 3.1: A 20 TYR OH : rot 95:sc= 0.643 USER MOD Set 3.2: B 97 LYS NZ :NH3+ 172:sc= 1.21 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 131:sc= 0.0515 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 4 MET CE :methyl 156:sc= 0 (180deg=-0.726) USER MOD Single : A 5 SER OG : rot -140:sc= -0.677 USER MOD Single : A 7 GLN :FLIP amide:sc= -0.999! C(o=-1.6!,f=-1!) USER MOD Single : A 23 SER OG : rot 52:sc= 0.168 USER MOD Single : B 25 HIS : no HE2:sc= 1.15 K(o=1.2,f=-5.2!) USER MOD Single : B 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 28 GLN : amide:sc= 0.0948 X(o=0.095,f=-0.15) USER MOD Single : B 34 TYR OH : rot -75:sc= 0.665 USER MOD Single : B 37 LYS NZ :NH3+ 176:sc= 0.557 (180deg=0.534) USER MOD Single : B 38 MET CE :methyl -131:sc= -1.24 (180deg=-2.15!) USER MOD Single : B 39 LYS NZ :NH3+ -176:sc= 0.817 (180deg=0.799) USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 TYR OH : rot -142:sc= 0.934 USER MOD Single : B 47 LYS NZ :NH3+ 158:sc= 1.34 (180deg=1.21) USER MOD Single : B 55 LYS NZ :NH3+ 179:sc= 2.47 (180deg=2.41) USER MOD Single : B 58 ASN :FLIP amide:sc= -0.28 F(o=-0.98,f=-0.28) USER MOD Single : B 60 LYS NZ :NH3+ 171:sc= -0.0094 (180deg=-0.117) USER MOD Single : B 65 SER OG : rot 180:sc= 0 USER MOD Single : B 67 SER OG : rot 105:sc= -0.225 USER MOD Single : B 68 TYR OH : rot 180:sc= -0.0143 USER MOD Single : B 69 ASN :FLIP amide:sc= -0.425 F(o=-1.3,f=-0.42) USER MOD Single : B 73 ASN : amide:sc= -3.36! C(o=-3.4!,f=-3.5!) USER MOD Single : B 76 TYR OH : rot 89:sc= 0.257 USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 92 ASN : amide:sc= 0.217 K(o=0.22,f=-0.38) USER MOD Single : B 100 HIS : no HE2:sc= -0.45! C(o=-0.45!,f=-6!) USER MOD Single : B 103 LYS NZ :NH3+ 143:sc= 1.21 (180deg=0.948) USER MOD Single : B 106 THR OG1 : rot 65:sc= 0.861 USER MOD Single : B 108 TYR OH : rot 180:sc= 0 USER MOD Single : B 110 TYR OH : rot -161:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.022 17.931 -6.991 1.00 0.00 N ATOM 2 CA GLY A 1 5.530 17.930 -5.597 1.00 0.00 C ATOM 3 C GLY A 1 6.460 19.097 -5.328 1.00 0.00 C ATOM 4 O GLY A 1 7.102 19.603 -6.249 1.00 0.00 O ATOM 0 H1 GLY A 1 5.144 16.985 -7.406 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.013 18.182 -6.993 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.552 18.627 -7.553 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.689 17.970 -4.905 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.057 16.995 -5.404 1.00 0.00 H new ATOM 10 N PRO A 2 6.563 19.543 -4.066 1.00 0.00 N ATOM 11 CA PRO A 2 7.391 20.697 -3.688 1.00 0.00 C ATOM 12 C PRO A 2 8.886 20.376 -3.580 1.00 0.00 C ATOM 13 O PRO A 2 9.604 21.004 -2.800 1.00 0.00 O ATOM 14 CB PRO A 2 6.827 21.086 -2.322 1.00 0.00 C ATOM 15 CG PRO A 2 6.313 19.815 -1.743 1.00 0.00 C ATOM 16 CD PRO A 2 5.852 18.971 -2.903 1.00 0.00 C ATOM 0 HA PRO A 2 7.345 21.484 -4.440 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.597 21.526 -1.688 1.00 0.00 H new ATOM 0 HB3 PRO A 2 6.032 21.826 -2.419 1.00 0.00 H new ATOM 0 HG2 PRO A 2 7.092 19.304 -1.177 1.00 0.00 H new ATOM 0 HG3 PRO A 2 5.492 20.008 -1.053 1.00 0.00 H new ATOM 0 HD2 PRO A 2 6.105 17.921 -2.758 1.00 0.00 H new ATOM 0 HD3 PRO A 2 4.771 19.024 -3.030 1.00 0.00 H new ATOM 24 N HIS A 3 9.349 19.402 -4.364 1.00 0.00 N ATOM 25 CA HIS A 3 10.767 19.038 -4.410 1.00 0.00 C ATOM 26 C HIS A 3 10.992 17.939 -5.440 1.00 0.00 C ATOM 27 O HIS A 3 11.573 18.174 -6.494 1.00 0.00 O ATOM 28 CB HIS A 3 11.281 18.577 -3.032 1.00 0.00 C ATOM 29 CG HIS A 3 12.748 18.244 -3.000 1.00 0.00 C ATOM 30 ND1 HIS A 3 13.323 17.468 -2.017 1.00 0.00 N ATOM 31 CD2 HIS A 3 13.760 18.591 -3.835 1.00 0.00 C ATOM 32 CE1 HIS A 3 14.617 17.355 -2.247 1.00 0.00 C ATOM 33 NE2 HIS A 3 14.908 18.025 -3.344 1.00 0.00 N ATOM 0 H HIS A 3 8.757 18.846 -4.981 1.00 0.00 H new ATOM 0 HA HIS A 3 11.328 19.927 -4.697 1.00 0.00 H new ATOM 0 HB2 HIS A 3 11.082 19.361 -2.302 1.00 0.00 H new ATOM 0 HB3 HIS A 3 10.714 17.700 -2.720 1.00 0.00 H new ATOM 0 HD2 HIS A 3 13.676 19.201 -4.723 1.00 0.00 H new ATOM 0 HE1 HIS A 3 15.320 16.806 -1.638 1.00 0.00 H new ATOM 0 HE2 HIS A 3 15.836 18.109 -3.760 1.00 0.00 H new ATOM 42 N MET A 4 10.524 16.743 -5.126 1.00 0.00 N ATOM 43 CA MET A 4 10.700 15.595 -6.003 1.00 0.00 C ATOM 44 C MET A 4 9.673 14.532 -5.663 1.00 0.00 C ATOM 45 O MET A 4 9.455 14.231 -4.489 1.00 0.00 O ATOM 46 CB MET A 4 12.116 15.029 -5.865 1.00 0.00 C ATOM 47 CG MET A 4 12.376 13.802 -6.722 1.00 0.00 C ATOM 48 SD MET A 4 12.017 14.084 -8.464 1.00 0.00 S ATOM 49 CE MET A 4 12.519 12.516 -9.165 1.00 0.00 C ATOM 0 H MET A 4 10.016 16.540 -4.265 1.00 0.00 H new ATOM 0 HA MET A 4 10.557 15.912 -7.036 1.00 0.00 H new ATOM 0 HB2 MET A 4 12.834 15.805 -6.131 1.00 0.00 H new ATOM 0 HB3 MET A 4 12.295 14.775 -4.820 1.00 0.00 H new ATOM 0 HG2 MET A 4 13.418 13.502 -6.614 1.00 0.00 H new ATOM 0 HG3 MET A 4 11.767 12.974 -6.359 1.00 0.00 H new ATOM 0 HE1 MET A 4 11.994 12.354 -10.106 1.00 0.00 H new ATOM 0 HE2 MET A 4 13.594 12.526 -9.346 1.00 0.00 H new ATOM 0 HE3 MET A 4 12.275 11.712 -8.470 1.00 0.00 H new ATOM 59 N SER A 5 9.027 13.990 -6.683 1.00 0.00 N ATOM 60 CA SER A 5 8.012 12.967 -6.492 1.00 0.00 C ATOM 61 C SER A 5 7.986 12.029 -7.692 1.00 0.00 C ATOM 62 O SER A 5 8.224 12.454 -8.822 1.00 0.00 O ATOM 63 CB SER A 5 6.637 13.612 -6.299 1.00 0.00 C ATOM 64 OG SER A 5 6.726 14.774 -5.489 1.00 0.00 O ATOM 0 H SER A 5 9.189 14.244 -7.658 1.00 0.00 H new ATOM 0 HA SER A 5 8.257 12.393 -5.598 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.215 13.873 -7.270 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.957 12.895 -5.838 1.00 0.00 H new ATOM 0 HG SER A 5 5.960 14.807 -4.879 1.00 0.00 H new ATOM 70 N VAL A 6 7.717 10.756 -7.444 1.00 0.00 N ATOM 71 CA VAL A 6 7.678 9.756 -8.501 1.00 0.00 C ATOM 72 C VAL A 6 6.462 8.854 -8.342 1.00 0.00 C ATOM 73 O VAL A 6 5.966 8.659 -7.235 1.00 0.00 O ATOM 74 CB VAL A 6 8.951 8.883 -8.502 1.00 0.00 C ATOM 75 CG1 VAL A 6 10.174 9.703 -8.875 1.00 0.00 C ATOM 76 CG2 VAL A 6 9.149 8.220 -7.149 1.00 0.00 C ATOM 0 H VAL A 6 7.521 10.389 -6.513 1.00 0.00 H new ATOM 0 HA VAL A 6 7.618 10.293 -9.448 1.00 0.00 H new ATOM 0 HB VAL A 6 8.822 8.104 -9.253 1.00 0.00 H new ATOM 0 HG11 VAL A 6 11.057 9.064 -8.868 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.039 10.125 -9.871 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.305 10.510 -8.154 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.052 7.609 -7.172 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.248 8.986 -6.380 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.289 7.589 -6.924 1.00 0.00 H new ATOM 86 N GLN A 7 5.986 8.301 -9.446 1.00 0.00 N ATOM 87 CA GLN A 7 4.857 7.383 -9.407 1.00 0.00 C ATOM 88 C GLN A 7 5.371 5.949 -9.399 1.00 0.00 C ATOM 89 O GLN A 7 6.333 5.623 -10.101 1.00 0.00 O ATOM 90 CB GLN A 7 3.897 7.611 -10.590 1.00 0.00 C ATOM 91 CG GLN A 7 4.417 7.152 -11.949 1.00 0.00 C ATOM 92 CD GLN A 7 5.590 7.968 -12.457 1.00 0.00 C ATOM 93 OE1 GLN A 7 6.797 7.529 -12.144 1.00 0.00 O flip ATOM 94 NE2 GLN A 7 5.410 8.983 -13.131 1.00 0.00 N flip ATOM 0 H GLN A 7 6.362 8.471 -10.379 1.00 0.00 H new ATOM 0 HA GLN A 7 4.291 7.571 -8.495 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.962 7.091 -10.383 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.665 8.674 -10.648 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.715 6.106 -11.880 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.606 7.205 -12.676 1.00 0.00 H new ATOM 0 HE21 GLN A 7 4.462 9.288 -13.351 1.00 0.00 H new ATOM 0 HE22 GLN A 7 6.209 9.519 -13.470 1.00 0.00 H new ATOM 103 N ILE A 8 4.757 5.104 -8.587 1.00 0.00 N ATOM 104 CA ILE A 8 5.210 3.728 -8.460 1.00 0.00 C ATOM 105 C ILE A 8 4.177 2.775 -9.047 1.00 0.00 C ATOM 106 O ILE A 8 3.026 2.762 -8.615 1.00 0.00 O ATOM 107 CB ILE A 8 5.461 3.328 -6.990 1.00 0.00 C ATOM 108 CG1 ILE A 8 6.015 4.505 -6.177 1.00 0.00 C ATOM 109 CG2 ILE A 8 6.425 2.149 -6.929 1.00 0.00 C ATOM 110 CD1 ILE A 8 7.351 5.019 -6.665 1.00 0.00 C ATOM 0 H ILE A 8 3.950 5.343 -8.010 1.00 0.00 H new ATOM 0 HA ILE A 8 6.151 3.658 -9.005 1.00 0.00 H new ATOM 0 HB ILE A 8 4.506 3.038 -6.551 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.293 5.321 -6.202 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.114 4.198 -5.136 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.597 1.873 -5.889 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.997 1.301 -7.463 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.372 2.429 -7.391 1.00 0.00 H new ATOM 0 HD11 ILE A 8 7.672 5.850 -6.037 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.089 4.219 -6.614 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.255 5.359 -7.696 1.00 0.00 H new ATOM 122 N PRO A 9 4.567 1.973 -10.046 1.00 0.00 N ATOM 123 CA PRO A 9 3.666 0.998 -10.655 1.00 0.00 C ATOM 124 C PRO A 9 3.361 -0.166 -9.715 1.00 0.00 C ATOM 125 O PRO A 9 4.268 -0.764 -9.129 1.00 0.00 O ATOM 126 CB PRO A 9 4.437 0.515 -11.887 1.00 0.00 C ATOM 127 CG PRO A 9 5.872 0.754 -11.563 1.00 0.00 C ATOM 128 CD PRO A 9 5.906 1.959 -10.661 1.00 0.00 C ATOM 0 HA PRO A 9 2.695 1.431 -10.896 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.247 -0.540 -12.083 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.137 1.064 -12.780 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.309 -0.114 -11.069 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.451 0.930 -12.469 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.691 1.875 -9.909 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.099 2.874 -11.222 1.00 0.00 H new ATOM 136 N VAL A 10 2.084 -0.475 -9.564 1.00 0.00 N ATOM 137 CA VAL A 10 1.663 -1.569 -8.704 1.00 0.00 C ATOM 138 C VAL A 10 1.339 -2.807 -9.529 1.00 0.00 C ATOM 139 O VAL A 10 0.563 -2.752 -10.484 1.00 0.00 O ATOM 140 CB VAL A 10 0.450 -1.179 -7.824 1.00 0.00 C ATOM 141 CG1 VAL A 10 -0.619 -0.471 -8.641 1.00 0.00 C ATOM 142 CG2 VAL A 10 -0.136 -2.402 -7.129 1.00 0.00 C ATOM 0 H VAL A 10 1.319 0.017 -10.026 1.00 0.00 H new ATOM 0 HA VAL A 10 2.496 -1.794 -8.038 1.00 0.00 H new ATOM 0 HB VAL A 10 0.807 -0.487 -7.061 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.457 -0.210 -7.995 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.202 0.436 -9.078 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.965 -1.131 -9.436 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.986 -2.100 -6.517 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.465 -3.123 -7.877 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.623 -2.859 -6.494 1.00 0.00 H new ATOM 152 N VAL A 11 1.954 -3.918 -9.163 1.00 0.00 N ATOM 153 CA VAL A 11 1.749 -5.176 -9.859 1.00 0.00 C ATOM 154 C VAL A 11 0.684 -6.000 -9.149 1.00 0.00 C ATOM 155 O VAL A 11 0.801 -6.279 -7.956 1.00 0.00 O ATOM 156 CB VAL A 11 3.061 -5.987 -9.933 1.00 0.00 C ATOM 157 CG1 VAL A 11 2.841 -7.315 -10.641 1.00 0.00 C ATOM 158 CG2 VAL A 11 4.147 -5.180 -10.629 1.00 0.00 C ATOM 0 H VAL A 11 2.605 -3.974 -8.380 1.00 0.00 H new ATOM 0 HA VAL A 11 1.420 -4.950 -10.873 1.00 0.00 H new ATOM 0 HB VAL A 11 3.387 -6.199 -8.915 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.780 -7.867 -10.680 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.099 -7.899 -10.096 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.486 -7.132 -11.655 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.065 -5.767 -10.672 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.825 -4.934 -11.641 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.330 -4.261 -10.073 1.00 0.00 H new ATOM 168 N GLU A 12 -0.365 -6.367 -9.869 1.00 0.00 N ATOM 169 CA GLU A 12 -1.423 -7.176 -9.288 1.00 0.00 C ATOM 170 C GLU A 12 -1.152 -8.652 -9.519 1.00 0.00 C ATOM 171 O GLU A 12 -1.231 -9.153 -10.643 1.00 0.00 O ATOM 172 CB GLU A 12 -2.788 -6.783 -9.846 1.00 0.00 C ATOM 173 CG GLU A 12 -3.085 -5.305 -9.688 1.00 0.00 C ATOM 174 CD GLU A 12 -4.534 -4.956 -9.950 1.00 0.00 C ATOM 175 OE1 GLU A 12 -4.992 -5.089 -11.105 1.00 0.00 O ATOM 176 OE2 GLU A 12 -5.226 -4.545 -8.992 1.00 0.00 O ATOM 0 H GLU A 12 -0.505 -6.120 -10.849 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.437 -6.991 -8.214 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.833 -7.047 -10.903 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.562 -7.360 -9.340 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.820 -4.994 -8.677 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.452 -4.739 -10.372 1.00 0.00 H new ATOM 183 N VAL A 13 -0.824 -9.332 -8.439 1.00 0.00 N ATOM 184 CA VAL A 13 -0.461 -10.745 -8.486 1.00 0.00 C ATOM 185 C VAL A 13 -1.304 -11.568 -7.522 1.00 0.00 C ATOM 186 O VAL A 13 -2.214 -11.045 -6.877 1.00 0.00 O ATOM 187 CB VAL A 13 1.030 -10.956 -8.151 1.00 0.00 C ATOM 188 CG1 VAL A 13 1.903 -10.591 -9.337 1.00 0.00 C ATOM 189 CG2 VAL A 13 1.425 -10.144 -6.925 1.00 0.00 C ATOM 0 H VAL A 13 -0.800 -8.927 -7.503 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.650 -11.081 -9.506 1.00 0.00 H new ATOM 0 HB VAL A 13 1.183 -12.012 -7.926 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.951 -10.747 -9.079 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.641 -11.219 -10.188 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.745 -9.544 -9.596 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.480 -10.307 -6.705 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.254 -9.085 -7.119 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.824 -10.458 -6.072 1.00 0.00 H new ATOM 199 N ASP A 14 -0.999 -12.855 -7.429 1.00 0.00 N ATOM 200 CA ASP A 14 -1.698 -13.748 -6.519 1.00 0.00 C ATOM 201 C ASP A 14 -0.967 -13.780 -5.187 1.00 0.00 C ATOM 202 O ASP A 14 -1.560 -14.043 -4.142 1.00 0.00 O ATOM 203 CB ASP A 14 -1.774 -15.154 -7.119 1.00 0.00 C ATOM 204 CG ASP A 14 -2.685 -16.085 -6.343 1.00 0.00 C ATOM 205 OD1 ASP A 14 -3.920 -15.968 -6.486 1.00 0.00 O ATOM 206 OD2 ASP A 14 -2.170 -16.958 -5.608 1.00 0.00 O ATOM 0 H ASP A 14 -0.266 -13.305 -7.978 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.714 -13.385 -6.362 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.127 -15.085 -8.148 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.772 -15.582 -7.154 1.00 0.00 H new ATOM 211 N GLU A 15 0.329 -13.493 -5.244 1.00 0.00 N ATOM 212 CA GLU A 15 1.161 -13.402 -4.059 1.00 0.00 C ATOM 213 C GLU A 15 2.533 -12.857 -4.434 1.00 0.00 C ATOM 214 O GLU A 15 2.852 -12.728 -5.618 1.00 0.00 O ATOM 215 CB GLU A 15 1.289 -14.765 -3.376 1.00 0.00 C ATOM 216 CG GLU A 15 2.125 -15.776 -4.139 1.00 0.00 C ATOM 217 CD GLU A 15 2.173 -17.112 -3.434 1.00 0.00 C ATOM 218 OE1 GLU A 15 3.033 -17.292 -2.544 1.00 0.00 O ATOM 219 OE2 GLU A 15 1.333 -17.982 -3.748 1.00 0.00 O ATOM 0 H GLU A 15 0.829 -13.317 -6.116 1.00 0.00 H new ATOM 0 HA GLU A 15 0.690 -12.719 -3.352 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.727 -14.622 -2.388 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.291 -15.177 -3.226 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.712 -15.908 -5.139 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.138 -15.392 -4.260 1.00 0.00 H new ATOM 226 N LEU A 16 3.334 -12.537 -3.431 1.00 0.00 N ATOM 227 CA LEU A 16 4.649 -11.972 -3.654 1.00 0.00 C ATOM 228 C LEU A 16 5.611 -13.040 -4.148 1.00 0.00 C ATOM 229 O LEU A 16 5.445 -14.224 -3.843 1.00 0.00 O ATOM 230 CB LEU A 16 5.204 -11.358 -2.364 1.00 0.00 C ATOM 231 CG LEU A 16 4.396 -10.217 -1.739 1.00 0.00 C ATOM 232 CD1 LEU A 16 3.905 -9.251 -2.797 1.00 0.00 C ATOM 233 CD2 LEU A 16 3.240 -10.748 -0.915 1.00 0.00 C ATOM 0 H LEU A 16 3.091 -12.661 -2.448 1.00 0.00 H new ATOM 0 HA LEU A 16 4.551 -11.192 -4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.299 -12.152 -1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.210 -10.990 -2.568 1.00 0.00 H new ATOM 0 HG LEU A 16 5.061 -9.673 -1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.335 -8.452 -2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.758 -8.825 -3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.268 -9.780 -3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.686 -9.913 -0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.577 -11.333 -1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.624 -11.380 -0.114 1.00 0.00 H new ATOM 245 N PRO A 17 6.621 -12.634 -4.925 1.00 0.00 N ATOM 246 CA PRO A 17 7.696 -13.529 -5.340 1.00 0.00 C ATOM 247 C PRO A 17 8.446 -14.109 -4.142 1.00 0.00 C ATOM 248 O PRO A 17 8.254 -13.691 -2.990 1.00 0.00 O ATOM 249 CB PRO A 17 8.642 -12.656 -6.162 1.00 0.00 C ATOM 250 CG PRO A 17 7.912 -11.383 -6.446 1.00 0.00 C ATOM 251 CD PRO A 17 6.771 -11.278 -5.469 1.00 0.00 C ATOM 0 HA PRO A 17 7.302 -14.378 -5.899 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.563 -12.460 -5.613 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.923 -13.156 -7.089 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.581 -10.528 -6.345 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.539 -11.377 -7.470 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.989 -10.557 -4.681 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.857 -10.945 -5.961 1.00 0.00 H new ATOM 259 N GLU A 18 9.315 -15.057 -4.422 1.00 0.00 N ATOM 260 CA GLU A 18 10.025 -15.771 -3.376 1.00 0.00 C ATOM 261 C GLU A 18 11.050 -14.874 -2.702 1.00 0.00 C ATOM 262 O GLU A 18 11.850 -14.217 -3.368 1.00 0.00 O ATOM 263 CB GLU A 18 10.694 -17.017 -3.944 1.00 0.00 C ATOM 264 CG GLU A 18 9.700 -18.031 -4.479 1.00 0.00 C ATOM 265 CD GLU A 18 10.354 -19.328 -4.885 1.00 0.00 C ATOM 266 OE1 GLU A 18 10.793 -19.441 -6.050 1.00 0.00 O ATOM 267 OE2 GLU A 18 10.436 -20.242 -4.038 1.00 0.00 O ATOM 0 H GLU A 18 9.549 -15.354 -5.369 1.00 0.00 H new ATOM 0 HA GLU A 18 9.300 -16.078 -2.622 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.374 -16.725 -4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.299 -17.484 -3.167 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.946 -18.232 -3.718 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.180 -17.606 -5.338 1.00 0.00 H new ATOM 274 N GLY A 19 11.021 -14.859 -1.381 1.00 0.00 N ATOM 275 CA GLY A 19 11.910 -14.003 -0.626 1.00 0.00 C ATOM 276 C GLY A 19 11.172 -12.875 0.071 1.00 0.00 C ATOM 277 O GLY A 19 11.765 -12.119 0.844 1.00 0.00 O ATOM 0 H GLY A 19 10.393 -15.428 -0.814 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.441 -14.599 0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.661 -13.583 -1.295 1.00 0.00 H new ATOM 281 N TYR A 20 9.877 -12.749 -0.203 1.00 0.00 N ATOM 282 CA TYR A 20 9.059 -11.739 0.462 1.00 0.00 C ATOM 283 C TYR A 20 8.444 -12.281 1.749 1.00 0.00 C ATOM 284 O TYR A 20 8.421 -13.491 1.979 1.00 0.00 O ATOM 285 CB TYR A 20 7.964 -11.225 -0.469 1.00 0.00 C ATOM 286 CG TYR A 20 8.455 -10.214 -1.480 1.00 0.00 C ATOM 287 CD1 TYR A 20 8.961 -10.614 -2.707 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.412 -8.856 -1.200 1.00 0.00 C ATOM 289 CE1 TYR A 20 9.412 -9.688 -3.625 1.00 0.00 C ATOM 290 CE2 TYR A 20 8.866 -7.925 -2.112 1.00 0.00 C ATOM 291 CZ TYR A 20 9.364 -8.346 -3.320 1.00 0.00 C ATOM 292 OH TYR A 20 9.832 -7.421 -4.219 1.00 0.00 O ATOM 0 H TYR A 20 9.374 -13.328 -0.875 1.00 0.00 H new ATOM 0 HA TYR A 20 9.714 -10.908 0.722 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.522 -12.070 -0.997 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.172 -10.773 0.129 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.003 -11.666 -2.948 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.017 -8.522 -0.252 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.801 -10.014 -4.578 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.830 -6.872 -1.877 1.00 0.00 H new ATOM 0 HH TYR A 20 9.088 -7.088 -4.763 1.00 0.00 H new ATOM 302 N ASP A 21 7.957 -11.373 2.583 1.00 0.00 N ATOM 303 CA ASP A 21 7.384 -11.736 3.873 1.00 0.00 C ATOM 304 C ASP A 21 5.901 -11.386 3.912 1.00 0.00 C ATOM 305 O ASP A 21 5.525 -10.237 4.159 1.00 0.00 O ATOM 306 CB ASP A 21 8.126 -11.015 5.001 1.00 0.00 C ATOM 307 CG ASP A 21 7.609 -11.399 6.371 1.00 0.00 C ATOM 308 OD1 ASP A 21 7.971 -12.487 6.864 1.00 0.00 O ATOM 309 OD2 ASP A 21 6.844 -10.616 6.968 1.00 0.00 O ATOM 0 H ASP A 21 7.947 -10.372 2.388 1.00 0.00 H new ATOM 0 HA ASP A 21 7.492 -12.812 4.012 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.189 -11.247 4.939 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.026 -9.938 4.867 1.00 0.00 H new ATOM 314 N ARG A 22 5.064 -12.376 3.651 1.00 0.00 N ATOM 315 CA ARG A 22 3.628 -12.163 3.565 1.00 0.00 C ATOM 316 C ARG A 22 2.920 -12.620 4.836 1.00 0.00 C ATOM 317 O ARG A 22 3.323 -13.596 5.469 1.00 0.00 O ATOM 318 CB ARG A 22 3.063 -12.896 2.345 1.00 0.00 C ATOM 319 CG ARG A 22 1.548 -12.853 2.267 1.00 0.00 C ATOM 320 CD ARG A 22 1.034 -13.154 0.872 1.00 0.00 C ATOM 321 NE ARG A 22 1.467 -14.462 0.378 1.00 0.00 N ATOM 322 CZ ARG A 22 0.685 -15.542 0.343 1.00 0.00 C ATOM 323 NH1 ARG A 22 -0.524 -15.508 0.887 1.00 0.00 N ATOM 324 NH2 ARG A 22 1.128 -16.665 -0.211 1.00 0.00 N ATOM 0 H ARG A 22 5.356 -13.341 3.494 1.00 0.00 H new ATOM 0 HA ARG A 22 3.450 -11.093 3.454 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.479 -12.454 1.440 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.389 -13.936 2.371 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.130 -13.574 2.969 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.198 -11.868 2.576 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.055 -13.114 0.875 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.380 -12.379 0.187 1.00 0.00 H new ATOM 0 HE ARG A 22 2.425 -14.553 0.040 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.858 -14.654 1.334 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.120 -16.336 0.859 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.066 -16.701 -0.610 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.530 -17.491 -0.238 1.00 0.00 H new ATOM 338 N SER A 23 1.859 -11.907 5.197 1.00 0.00 N ATOM 339 CA SER A 23 1.073 -12.237 6.372 1.00 0.00 C ATOM 340 C SER A 23 -0.332 -12.683 5.965 1.00 0.00 C ATOM 341 O SER A 23 -1.254 -11.837 5.944 1.00 0.00 O ATOM 342 CB SER A 23 1.018 -11.030 7.317 1.00 0.00 C ATOM 343 OG SER A 23 0.691 -9.837 6.615 1.00 0.00 O ATOM 344 OXT SER A 23 -0.503 -13.879 5.638 1.00 0.00 O ATOM 0 H SER A 23 1.524 -11.091 4.685 1.00 0.00 H new ATOM 0 HA SER A 23 1.547 -13.065 6.899 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.278 -11.210 8.097 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.981 -10.910 7.813 1.00 0.00 H new ATOM 0 HG SER A 23 -0.122 -9.981 6.087 1.00 0.00 H new TER 350 SER A 23 ATOM 351 N PRO B 24 -27.162 12.066 1.410 1.00 0.00 N ATOM 352 CA PRO B 24 -25.881 11.639 0.810 1.00 0.00 C ATOM 353 C PRO B 24 -24.901 12.808 0.731 1.00 0.00 C ATOM 354 O PRO B 24 -24.338 13.096 -0.327 1.00 0.00 O ATOM 355 CB PRO B 24 -26.151 11.078 -0.581 1.00 0.00 C ATOM 356 CG PRO B 24 -27.613 11.292 -0.775 1.00 0.00 C ATOM 357 CD PRO B 24 -28.213 11.420 0.607 1.00 0.00 C ATOM 0 HA PRO B 24 -25.430 10.869 1.436 1.00 0.00 H new ATOM 0 HB2 PRO B 24 -25.567 11.596 -1.341 1.00 0.00 H new ATOM 0 HB3 PRO B 24 -25.890 10.022 -0.644 1.00 0.00 H new ATOM 0 HG2 PRO B 24 -27.799 12.190 -1.364 1.00 0.00 H new ATOM 0 HG3 PRO B 24 -28.059 10.458 -1.316 1.00 0.00 H new ATOM 0 HD2 PRO B 24 -29.123 12.019 0.590 1.00 0.00 H new ATOM 0 HD3 PRO B 24 -28.481 10.445 1.015 1.00 0.00 H new ATOM 367 N HIS B 25 -24.708 13.485 1.854 1.00 0.00 N ATOM 368 CA HIS B 25 -23.794 14.617 1.913 1.00 0.00 C ATOM 369 C HIS B 25 -22.438 14.177 2.444 1.00 0.00 C ATOM 370 O HIS B 25 -21.406 14.751 2.100 1.00 0.00 O ATOM 371 CB HIS B 25 -24.369 15.722 2.806 1.00 0.00 C ATOM 372 CG HIS B 25 -23.500 16.939 2.907 1.00 0.00 C ATOM 373 ND1 HIS B 25 -22.600 17.139 3.933 1.00 0.00 N ATOM 374 CD2 HIS B 25 -23.392 18.022 2.100 1.00 0.00 C ATOM 375 CE1 HIS B 25 -21.982 18.291 3.754 1.00 0.00 C ATOM 376 NE2 HIS B 25 -22.442 18.845 2.650 1.00 0.00 N ATOM 0 H HIS B 25 -25.172 13.270 2.737 1.00 0.00 H new ATOM 0 HA HIS B 25 -23.668 15.009 0.904 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -25.345 16.016 2.420 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -24.530 15.319 3.806 1.00 0.00 H new ATOM 0 HD1 HIS B 25 -22.438 16.497 4.709 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -23.950 18.204 1.193 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -21.227 18.709 4.403 1.00 0.00 H new ATOM 385 N GLU B 26 -22.449 13.154 3.281 1.00 0.00 N ATOM 386 CA GLU B 26 -21.231 12.681 3.915 1.00 0.00 C ATOM 387 C GLU B 26 -20.531 11.645 3.042 1.00 0.00 C ATOM 388 O GLU B 26 -20.823 11.530 1.849 1.00 0.00 O ATOM 389 CB GLU B 26 -21.544 12.100 5.293 1.00 0.00 C ATOM 390 CG GLU B 26 -22.230 13.086 6.224 1.00 0.00 C ATOM 391 CD GLU B 26 -21.502 14.413 6.306 1.00 0.00 C ATOM 392 OE1 GLU B 26 -20.328 14.427 6.727 1.00 0.00 O ATOM 393 OE2 GLU B 26 -22.092 15.450 5.935 1.00 0.00 O ATOM 0 H GLU B 26 -23.289 12.635 3.537 1.00 0.00 H new ATOM 0 HA GLU B 26 -20.556 13.528 4.039 1.00 0.00 H new ATOM 0 HB2 GLU B 26 -22.180 11.223 5.173 1.00 0.00 H new ATOM 0 HB3 GLU B 26 -20.617 11.761 5.755 1.00 0.00 H new ATOM 0 HG2 GLU B 26 -23.250 13.256 5.879 1.00 0.00 H new ATOM 0 HG3 GLU B 26 -22.299 12.651 7.221 1.00 0.00 H new ATOM 400 N GLN B 27 -19.608 10.899 3.633 1.00 0.00 N ATOM 401 CA GLN B 27 -18.841 9.908 2.889 1.00 0.00 C ATOM 402 C GLN B 27 -19.746 8.815 2.338 1.00 0.00 C ATOM 403 O GLN B 27 -20.707 8.392 2.983 1.00 0.00 O ATOM 404 CB GLN B 27 -17.756 9.287 3.765 1.00 0.00 C ATOM 405 CG GLN B 27 -16.670 10.264 4.179 1.00 0.00 C ATOM 406 CD GLN B 27 -15.539 9.587 4.928 1.00 0.00 C ATOM 407 OE1 GLN B 27 -15.558 9.488 6.155 1.00 0.00 O ATOM 408 NE2 GLN B 27 -14.548 9.107 4.193 1.00 0.00 N ATOM 0 H GLN B 27 -19.372 10.960 4.623 1.00 0.00 H new ATOM 0 HA GLN B 27 -18.367 10.423 2.053 1.00 0.00 H new ATOM 0 HB2 GLN B 27 -18.218 8.871 4.660 1.00 0.00 H new ATOM 0 HB3 GLN B 27 -17.299 8.456 3.227 1.00 0.00 H new ATOM 0 HG2 GLN B 27 -16.271 10.757 3.292 1.00 0.00 H new ATOM 0 HG3 GLN B 27 -17.105 11.041 4.808 1.00 0.00 H new ATOM 0 HE21 GLN B 27 -14.570 9.209 3.178 1.00 0.00 H new ATOM 0 HE22 GLN B 27 -13.763 8.635 4.641 1.00 0.00 H new ATOM 417 N GLN B 28 -19.424 8.368 1.135 1.00 0.00 N ATOM 418 CA GLN B 28 -20.203 7.345 0.457 1.00 0.00 C ATOM 419 C GLN B 28 -19.988 5.983 1.097 1.00 0.00 C ATOM 420 O GLN B 28 -18.947 5.715 1.697 1.00 0.00 O ATOM 421 CB GLN B 28 -19.836 7.300 -1.023 1.00 0.00 C ATOM 422 CG GLN B 28 -20.337 8.504 -1.798 1.00 0.00 C ATOM 423 CD GLN B 28 -19.982 8.455 -3.273 1.00 0.00 C ATOM 424 OE1 GLN B 28 -19.773 9.488 -3.910 1.00 0.00 O ATOM 425 NE2 GLN B 28 -19.917 7.258 -3.831 1.00 0.00 N ATOM 0 H GLN B 28 -18.620 8.702 0.604 1.00 0.00 H new ATOM 0 HA GLN B 28 -21.258 7.600 0.552 1.00 0.00 H new ATOM 0 HB2 GLN B 28 -18.752 7.238 -1.121 1.00 0.00 H new ATOM 0 HB3 GLN B 28 -20.248 6.393 -1.466 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -21.420 8.570 -1.693 1.00 0.00 H new ATOM 0 HG3 GLN B 28 -19.918 9.410 -1.360 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -20.096 6.424 -3.272 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -19.687 7.169 -4.821 1.00 0.00 H new ATOM 434 N GLU B 29 -20.984 5.128 0.955 1.00 0.00 N ATOM 435 CA GLU B 29 -20.969 3.813 1.588 1.00 0.00 C ATOM 436 C GLU B 29 -20.170 2.825 0.752 1.00 0.00 C ATOM 437 O GLU B 29 -19.782 1.761 1.229 1.00 0.00 O ATOM 438 CB GLU B 29 -22.396 3.294 1.782 1.00 0.00 C ATOM 439 CG GLU B 29 -23.179 3.171 0.486 1.00 0.00 C ATOM 440 CD GLU B 29 -24.481 2.428 0.659 1.00 0.00 C ATOM 441 OE1 GLU B 29 -24.455 1.187 0.728 1.00 0.00 O ATOM 442 OE2 GLU B 29 -25.544 3.077 0.727 1.00 0.00 O ATOM 0 H GLU B 29 -21.821 5.318 0.404 1.00 0.00 H new ATOM 0 HA GLU B 29 -20.494 3.913 2.564 1.00 0.00 H new ATOM 0 HB2 GLU B 29 -22.356 2.319 2.267 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -22.929 3.964 2.457 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -23.384 4.167 0.094 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -22.568 2.656 -0.255 1.00 0.00 H new ATOM 449 N ASP B 30 -19.931 3.193 -0.496 1.00 0.00 N ATOM 450 CA ASP B 30 -19.173 2.359 -1.420 1.00 0.00 C ATOM 451 C ASP B 30 -17.680 2.633 -1.299 1.00 0.00 C ATOM 452 O ASP B 30 -16.869 2.060 -2.031 1.00 0.00 O ATOM 453 CB ASP B 30 -19.634 2.601 -2.855 1.00 0.00 C ATOM 454 CG ASP B 30 -19.560 4.058 -3.253 1.00 0.00 C ATOM 455 OD1 ASP B 30 -20.502 4.812 -2.919 1.00 0.00 O ATOM 456 OD2 ASP B 30 -18.571 4.458 -3.905 1.00 0.00 O ATOM 0 H ASP B 30 -20.254 4.073 -0.898 1.00 0.00 H new ATOM 0 HA ASP B 30 -19.354 1.316 -1.161 1.00 0.00 H new ATOM 0 HB2 ASP B 30 -19.019 2.011 -3.534 1.00 0.00 H new ATOM 0 HB3 ASP B 30 -20.660 2.249 -2.967 1.00 0.00 H new ATOM 461 N VAL B 31 -17.328 3.518 -0.379 1.00 0.00 N ATOM 462 CA VAL B 31 -15.936 3.819 -0.098 1.00 0.00 C ATOM 463 C VAL B 31 -15.310 2.667 0.677 1.00 0.00 C ATOM 464 O VAL B 31 -15.722 2.362 1.797 1.00 0.00 O ATOM 465 CB VAL B 31 -15.784 5.131 0.703 1.00 0.00 C ATOM 466 CG1 VAL B 31 -14.319 5.425 0.994 1.00 0.00 C ATOM 467 CG2 VAL B 31 -16.421 6.289 -0.050 1.00 0.00 C ATOM 0 H VAL B 31 -17.994 4.043 0.188 1.00 0.00 H new ATOM 0 HA VAL B 31 -15.423 3.950 -1.051 1.00 0.00 H new ATOM 0 HB VAL B 31 -16.300 5.009 1.656 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -14.240 6.354 1.559 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -13.893 4.608 1.577 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -13.774 5.524 0.055 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -16.305 7.206 0.528 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -15.933 6.406 -1.018 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -17.481 6.086 -0.200 1.00 0.00 H new ATOM 477 N PRO B 32 -14.325 2.000 0.071 1.00 0.00 N ATOM 478 CA PRO B 32 -13.678 0.832 0.667 1.00 0.00 C ATOM 479 C PRO B 32 -12.953 1.157 1.972 1.00 0.00 C ATOM 480 O PRO B 32 -12.297 2.193 2.091 1.00 0.00 O ATOM 481 CB PRO B 32 -12.679 0.379 -0.403 1.00 0.00 C ATOM 482 CG PRO B 32 -12.499 1.549 -1.310 1.00 0.00 C ATOM 483 CD PRO B 32 -13.776 2.335 -1.249 1.00 0.00 C ATOM 0 HA PRO B 32 -14.408 0.068 0.936 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -11.731 0.083 0.047 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -13.056 -0.485 -0.950 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -11.653 2.159 -0.994 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -12.293 1.222 -2.329 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -13.593 3.405 -1.347 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -14.459 2.053 -2.051 1.00 0.00 H new ATOM 491 N GLU B 33 -13.079 0.263 2.944 1.00 0.00 N ATOM 492 CA GLU B 33 -12.413 0.420 4.222 1.00 0.00 C ATOM 493 C GLU B 33 -11.087 -0.315 4.190 1.00 0.00 C ATOM 494 O GLU B 33 -11.033 -1.540 4.294 1.00 0.00 O ATOM 495 CB GLU B 33 -13.264 -0.121 5.376 1.00 0.00 C ATOM 496 CG GLU B 33 -12.601 0.051 6.735 1.00 0.00 C ATOM 497 CD GLU B 33 -13.186 -0.846 7.806 1.00 0.00 C ATOM 498 OE1 GLU B 33 -14.390 -0.720 8.110 1.00 0.00 O ATOM 499 OE2 GLU B 33 -12.438 -1.683 8.360 1.00 0.00 O ATOM 0 H GLU B 33 -13.642 -0.584 2.866 1.00 0.00 H new ATOM 0 HA GLU B 33 -12.255 1.485 4.391 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -14.227 0.390 5.380 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -13.465 -1.179 5.207 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -11.535 -0.156 6.640 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -12.697 1.090 7.049 1.00 0.00 H new ATOM 506 N TYR B 34 -10.033 0.437 4.000 1.00 0.00 N ATOM 507 CA TYR B 34 -8.695 -0.113 4.028 1.00 0.00 C ATOM 508 C TYR B 34 -8.153 -0.106 5.444 1.00 0.00 C ATOM 509 O TYR B 34 -8.403 0.822 6.214 1.00 0.00 O ATOM 510 CB TYR B 34 -7.772 0.675 3.113 1.00 0.00 C ATOM 511 CG TYR B 34 -8.147 0.581 1.659 1.00 0.00 C ATOM 512 CD1 TYR B 34 -7.957 -0.598 0.953 1.00 0.00 C ATOM 513 CD2 TYR B 34 -8.697 1.667 0.995 1.00 0.00 C ATOM 514 CE1 TYR B 34 -8.308 -0.692 -0.378 1.00 0.00 C ATOM 515 CE2 TYR B 34 -9.048 1.582 -0.336 1.00 0.00 C ATOM 516 CZ TYR B 34 -8.853 0.401 -1.018 1.00 0.00 C ATOM 517 OH TYR B 34 -9.216 0.310 -2.341 1.00 0.00 O ATOM 0 H TYR B 34 -10.073 1.441 3.823 1.00 0.00 H new ATOM 0 HA TYR B 34 -8.741 -1.142 3.672 1.00 0.00 H new ATOM 0 HB2 TYR B 34 -7.780 1.722 3.416 1.00 0.00 H new ATOM 0 HB3 TYR B 34 -6.751 0.314 3.241 1.00 0.00 H new ATOM 0 HD1 TYR B 34 -7.528 -1.454 1.452 1.00 0.00 H new ATOM 0 HD2 TYR B 34 -8.853 2.593 1.528 1.00 0.00 H new ATOM 0 HE1 TYR B 34 -8.157 -1.616 -0.916 1.00 0.00 H new ATOM 0 HE2 TYR B 34 -9.473 2.437 -0.841 1.00 0.00 H new ATOM 0 HH TYR B 34 -8.413 0.322 -2.902 1.00 0.00 H new ATOM 527 N GLU B 35 -7.415 -1.144 5.779 1.00 0.00 N ATOM 528 CA GLU B 35 -6.858 -1.283 7.106 1.00 0.00 C ATOM 529 C GLU B 35 -5.344 -1.410 7.009 1.00 0.00 C ATOM 530 O GLU B 35 -4.825 -2.409 6.504 1.00 0.00 O ATOM 531 CB GLU B 35 -7.474 -2.498 7.791 1.00 0.00 C ATOM 532 CG GLU B 35 -7.225 -2.553 9.283 1.00 0.00 C ATOM 533 CD GLU B 35 -7.907 -3.738 9.921 1.00 0.00 C ATOM 534 OE1 GLU B 35 -7.348 -4.849 9.857 1.00 0.00 O ATOM 535 OE2 GLU B 35 -9.016 -3.567 10.471 1.00 0.00 O ATOM 0 H GLU B 35 -7.186 -1.909 5.144 1.00 0.00 H new ATOM 0 HA GLU B 35 -7.089 -0.402 7.704 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -8.549 -2.498 7.612 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -7.075 -3.403 7.332 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -6.153 -2.606 9.471 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -7.585 -1.634 9.746 1.00 0.00 H new ATOM 542 N VAL B 36 -4.654 -0.390 7.493 1.00 0.00 N ATOM 543 CA VAL B 36 -3.211 -0.256 7.327 1.00 0.00 C ATOM 544 C VAL B 36 -2.444 -0.763 8.548 1.00 0.00 C ATOM 545 O VAL B 36 -2.824 -0.495 9.690 1.00 0.00 O ATOM 546 CB VAL B 36 -2.831 1.221 7.081 1.00 0.00 C ATOM 547 CG1 VAL B 36 -1.333 1.373 6.859 1.00 0.00 C ATOM 548 CG2 VAL B 36 -3.610 1.788 5.904 1.00 0.00 C ATOM 0 H VAL B 36 -5.080 0.375 8.016 1.00 0.00 H new ATOM 0 HA VAL B 36 -2.935 -0.865 6.466 1.00 0.00 H new ATOM 0 HB VAL B 36 -3.096 1.788 7.973 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -1.095 2.423 6.688 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -0.797 1.018 7.739 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -1.033 0.787 5.990 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -3.327 2.829 5.748 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -3.384 1.212 5.007 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -4.678 1.730 6.113 1.00 0.00 H new ATOM 558 N LYS B 37 -1.369 -1.503 8.292 1.00 0.00 N ATOM 559 CA LYS B 37 -0.466 -1.961 9.341 1.00 0.00 C ATOM 560 C LYS B 37 0.964 -1.679 8.908 1.00 0.00 C ATOM 561 O LYS B 37 1.340 -1.986 7.777 1.00 0.00 O ATOM 562 CB LYS B 37 -0.616 -3.465 9.615 1.00 0.00 C ATOM 563 CG LYS B 37 -2.028 -3.932 9.940 1.00 0.00 C ATOM 564 CD LYS B 37 -2.873 -4.083 8.686 1.00 0.00 C ATOM 565 CE LYS B 37 -4.218 -4.712 8.987 1.00 0.00 C ATOM 566 NZ LYS B 37 -5.013 -4.907 7.754 1.00 0.00 N ATOM 0 H LYS B 37 -1.101 -1.801 7.354 1.00 0.00 H new ATOM 0 HA LYS B 37 -0.714 -1.428 10.259 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -0.262 -4.013 8.742 1.00 0.00 H new ATOM 0 HB3 LYS B 37 0.037 -3.733 10.446 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -1.984 -4.886 10.466 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -2.501 -3.218 10.614 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -3.023 -3.105 8.229 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -2.339 -4.696 7.960 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -4.070 -5.672 9.481 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -4.770 -4.078 9.681 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -5.898 -5.401 7.986 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -5.233 -3.982 7.333 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -4.467 -5.476 7.075 1.00 0.00 H new ATOM 580 N MET B 38 1.760 -1.103 9.788 1.00 0.00 N ATOM 581 CA MET B 38 3.126 -0.749 9.441 1.00 0.00 C ATOM 582 C MET B 38 4.112 -1.587 10.240 1.00 0.00 C ATOM 583 O MET B 38 3.913 -1.822 11.432 1.00 0.00 O ATOM 584 CB MET B 38 3.366 0.731 9.691 1.00 0.00 C ATOM 585 CG MET B 38 4.269 1.348 8.650 1.00 0.00 C ATOM 586 SD MET B 38 4.161 3.140 8.592 1.00 0.00 S ATOM 587 CE MET B 38 4.694 3.400 6.907 1.00 0.00 C ATOM 0 H MET B 38 1.488 -0.871 10.743 1.00 0.00 H new ATOM 0 HA MET B 38 3.279 -0.953 8.381 1.00 0.00 H new ATOM 0 HB2 MET B 38 2.411 1.256 9.697 1.00 0.00 H new ATOM 0 HB3 MET B 38 3.809 0.863 10.678 1.00 0.00 H new ATOM 0 HG2 MET B 38 5.300 1.059 8.855 1.00 0.00 H new ATOM 0 HG3 MET B 38 4.013 0.943 7.671 1.00 0.00 H new ATOM 0 HE1 MET B 38 5.465 4.170 6.884 1.00 0.00 H new ATOM 0 HE2 MET B 38 5.098 2.471 6.506 1.00 0.00 H new ATOM 0 HE3 MET B 38 3.845 3.718 6.302 1.00 0.00 H new ATOM 597 N LYS B 39 5.174 -2.040 9.588 1.00 0.00 N ATOM 598 CA LYS B 39 6.133 -2.922 10.238 1.00 0.00 C ATOM 599 C LYS B 39 7.555 -2.613 9.770 1.00 0.00 C ATOM 600 O LYS B 39 7.799 -2.403 8.581 1.00 0.00 O ATOM 601 CB LYS B 39 5.755 -4.385 9.956 1.00 0.00 C ATOM 602 CG LYS B 39 6.431 -5.408 10.861 1.00 0.00 C ATOM 603 CD LYS B 39 7.801 -5.815 10.343 1.00 0.00 C ATOM 604 CE LYS B 39 8.472 -6.832 11.253 1.00 0.00 C ATOM 605 NZ LYS B 39 8.871 -6.237 12.556 1.00 0.00 N ATOM 0 H LYS B 39 5.392 -1.814 8.618 1.00 0.00 H new ATOM 0 HA LYS B 39 6.103 -2.756 11.315 1.00 0.00 H new ATOM 0 HB2 LYS B 39 4.675 -4.492 10.055 1.00 0.00 H new ATOM 0 HB3 LYS B 39 6.005 -4.616 8.920 1.00 0.00 H new ATOM 0 HG2 LYS B 39 6.532 -4.993 11.864 1.00 0.00 H new ATOM 0 HG3 LYS B 39 5.798 -6.292 10.944 1.00 0.00 H new ATOM 0 HD2 LYS B 39 7.701 -6.234 9.342 1.00 0.00 H new ATOM 0 HD3 LYS B 39 8.434 -4.932 10.257 1.00 0.00 H new ATOM 0 HE2 LYS B 39 7.792 -7.666 11.428 1.00 0.00 H new ATOM 0 HE3 LYS B 39 9.353 -7.238 10.755 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 9.384 -6.945 13.118 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 9.486 -5.415 12.389 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 8.022 -5.933 13.074 1.00 0.00 H new ATOM 619 N ARG B 40 8.481 -2.584 10.719 1.00 0.00 N ATOM 620 CA ARG B 40 9.877 -2.256 10.445 1.00 0.00 C ATOM 621 C ARG B 40 10.727 -3.518 10.380 1.00 0.00 C ATOM 622 O ARG B 40 10.588 -4.413 11.216 1.00 0.00 O ATOM 623 CB ARG B 40 10.437 -1.329 11.532 1.00 0.00 C ATOM 624 CG ARG B 40 10.117 0.149 11.346 1.00 0.00 C ATOM 625 CD ARG B 40 8.623 0.440 11.399 1.00 0.00 C ATOM 626 NE ARG B 40 8.016 0.042 12.668 1.00 0.00 N ATOM 627 CZ ARG B 40 6.768 0.350 13.020 1.00 0.00 C ATOM 628 NH1 ARG B 40 6.014 1.097 12.222 1.00 0.00 N ATOM 629 NH2 ARG B 40 6.281 -0.075 14.178 1.00 0.00 N ATOM 0 H ARG B 40 8.288 -2.787 11.700 1.00 0.00 H new ATOM 0 HA ARG B 40 9.914 -1.749 9.481 1.00 0.00 H new ATOM 0 HB2 ARG B 40 10.048 -1.651 12.498 1.00 0.00 H new ATOM 0 HB3 ARG B 40 11.520 -1.449 11.568 1.00 0.00 H new ATOM 0 HG2 ARG B 40 10.623 0.726 12.120 1.00 0.00 H new ATOM 0 HG3 ARG B 40 10.514 0.484 10.388 1.00 0.00 H new ATOM 0 HD2 ARG B 40 8.459 1.506 11.241 1.00 0.00 H new ATOM 0 HD3 ARG B 40 8.126 -0.084 10.583 1.00 0.00 H new ATOM 0 HE ARG B 40 8.580 -0.502 13.321 1.00 0.00 H new ATOM 0 HH11 ARG B 40 6.390 1.437 11.337 1.00 0.00 H new ATOM 0 HH12 ARG B 40 5.059 1.331 12.494 1.00 0.00 H new ATOM 0 HH21 ARG B 40 6.862 -0.638 14.800 1.00 0.00 H new ATOM 0 HH22 ARG B 40 5.326 0.161 14.447 1.00 0.00 H new ATOM 643 N PHE B 41 11.601 -3.588 9.387 1.00 0.00 N ATOM 644 CA PHE B 41 12.526 -4.705 9.255 1.00 0.00 C ATOM 645 C PHE B 41 13.957 -4.251 9.504 1.00 0.00 C ATOM 646 O PHE B 41 14.290 -3.078 9.328 1.00 0.00 O ATOM 647 CB PHE B 41 12.429 -5.336 7.865 1.00 0.00 C ATOM 648 CG PHE B 41 11.251 -6.250 7.678 1.00 0.00 C ATOM 649 CD1 PHE B 41 9.974 -5.742 7.513 1.00 0.00 C ATOM 650 CD2 PHE B 41 11.428 -7.623 7.661 1.00 0.00 C ATOM 651 CE1 PHE B 41 8.898 -6.588 7.332 1.00 0.00 C ATOM 652 CE2 PHE B 41 10.356 -8.474 7.481 1.00 0.00 C ATOM 653 CZ PHE B 41 9.088 -7.955 7.319 1.00 0.00 C ATOM 0 H PHE B 41 11.689 -2.881 8.657 1.00 0.00 H new ATOM 0 HA PHE B 41 12.250 -5.450 10.002 1.00 0.00 H new ATOM 0 HB2 PHE B 41 12.378 -4.541 7.121 1.00 0.00 H new ATOM 0 HB3 PHE B 41 13.343 -5.897 7.670 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.818 -4.673 7.526 1.00 0.00 H new ATOM 0 HD2 PHE B 41 12.418 -8.034 7.790 1.00 0.00 H new ATOM 0 HE1 PHE B 41 7.907 -6.180 7.200 1.00 0.00 H new ATOM 0 HE2 PHE B 41 10.510 -9.543 7.467 1.00 0.00 H new ATOM 0 HZ PHE B 41 8.246 -8.617 7.182 1.00 0.00 H new ATOM 663 N LYS B 42 14.801 -5.185 9.902 1.00 0.00 N ATOM 664 CA LYS B 42 16.199 -4.893 10.159 1.00 0.00 C ATOM 665 C LYS B 42 17.084 -5.855 9.376 1.00 0.00 C ATOM 666 O LYS B 42 17.004 -7.070 9.563 1.00 0.00 O ATOM 667 CB LYS B 42 16.496 -4.992 11.658 1.00 0.00 C ATOM 668 CG LYS B 42 17.939 -4.678 12.020 1.00 0.00 C ATOM 669 CD LYS B 42 18.173 -4.787 13.517 1.00 0.00 C ATOM 670 CE LYS B 42 19.633 -4.558 13.868 1.00 0.00 C ATOM 671 NZ LYS B 42 19.883 -4.705 15.326 1.00 0.00 N ATOM 0 H LYS B 42 14.540 -6.159 10.055 1.00 0.00 H new ATOM 0 HA LYS B 42 16.413 -3.875 9.832 1.00 0.00 H new ATOM 0 HB2 LYS B 42 15.839 -4.307 12.195 1.00 0.00 H new ATOM 0 HB3 LYS B 42 16.256 -5.999 12.001 1.00 0.00 H new ATOM 0 HG2 LYS B 42 18.604 -5.364 11.496 1.00 0.00 H new ATOM 0 HG3 LYS B 42 18.189 -3.672 11.684 1.00 0.00 H new ATOM 0 HD2 LYS B 42 17.553 -4.057 14.038 1.00 0.00 H new ATOM 0 HD3 LYS B 42 17.864 -5.773 13.864 1.00 0.00 H new ATOM 0 HE2 LYS B 42 20.253 -5.267 13.320 1.00 0.00 H new ATOM 0 HE3 LYS B 42 19.931 -3.560 13.548 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 20.891 -4.541 15.524 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 19.310 -4.011 15.848 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 19.623 -5.666 15.628 1.00 0.00 H new ATOM 685 N GLY B 43 17.908 -5.307 8.491 1.00 0.00 N ATOM 686 CA GLY B 43 18.791 -6.126 7.682 1.00 0.00 C ATOM 687 C GLY B 43 18.032 -7.054 6.758 1.00 0.00 C ATOM 688 O GLY B 43 18.339 -8.242 6.671 1.00 0.00 O ATOM 0 H GLY B 43 17.980 -4.304 8.319 1.00 0.00 H new ATOM 0 HA2 GLY B 43 19.441 -5.480 7.091 1.00 0.00 H new ATOM 0 HA3 GLY B 43 19.435 -6.715 8.335 1.00 0.00 H new ATOM 692 N ALA B 44 17.040 -6.515 6.068 1.00 0.00 N ATOM 693 CA ALA B 44 16.219 -7.307 5.164 1.00 0.00 C ATOM 694 C ALA B 44 16.194 -6.668 3.786 1.00 0.00 C ATOM 695 O ALA B 44 16.672 -5.546 3.610 1.00 0.00 O ATOM 696 CB ALA B 44 14.809 -7.444 5.717 1.00 0.00 C ATOM 0 H ALA B 44 16.783 -5.529 6.116 1.00 0.00 H new ATOM 0 HA ALA B 44 16.651 -8.304 5.076 1.00 0.00 H new ATOM 0 HB1 ALA B 44 14.205 -8.039 5.031 1.00 0.00 H new ATOM 0 HB2 ALA B 44 14.846 -7.937 6.689 1.00 0.00 H new ATOM 0 HB3 ALA B 44 14.364 -6.455 5.828 1.00 0.00 H new ATOM 702 N ALA B 45 15.634 -7.381 2.814 1.00 0.00 N ATOM 703 CA ALA B 45 15.547 -6.888 1.442 1.00 0.00 C ATOM 704 C ALA B 45 14.525 -5.762 1.327 1.00 0.00 C ATOM 705 O ALA B 45 14.336 -5.186 0.257 1.00 0.00 O ATOM 706 CB ALA B 45 15.188 -8.023 0.497 1.00 0.00 C ATOM 0 H ALA B 45 15.231 -8.308 2.952 1.00 0.00 H new ATOM 0 HA ALA B 45 16.522 -6.490 1.163 1.00 0.00 H new ATOM 0 HB1 ALA B 45 15.126 -7.642 -0.522 1.00 0.00 H new ATOM 0 HB2 ALA B 45 15.954 -8.796 0.550 1.00 0.00 H new ATOM 0 HB3 ALA B 45 14.226 -8.446 0.785 1.00 0.00 H new ATOM 712 N TYR B 46 13.870 -5.472 2.441 1.00 0.00 N ATOM 713 CA TYR B 46 12.895 -4.406 2.536 1.00 0.00 C ATOM 714 C TYR B 46 12.916 -3.881 3.956 1.00 0.00 C ATOM 715 O TYR B 46 12.851 -4.649 4.912 1.00 0.00 O ATOM 716 CB TYR B 46 11.491 -4.895 2.144 1.00 0.00 C ATOM 717 CG TYR B 46 11.291 -6.378 2.344 1.00 0.00 C ATOM 718 CD1 TYR B 46 11.294 -6.932 3.614 1.00 0.00 C ATOM 719 CD2 TYR B 46 11.123 -7.223 1.257 1.00 0.00 C ATOM 720 CE1 TYR B 46 11.138 -8.290 3.798 1.00 0.00 C ATOM 721 CE2 TYR B 46 10.960 -8.581 1.431 1.00 0.00 C ATOM 722 CZ TYR B 46 10.971 -9.111 2.704 1.00 0.00 C ATOM 723 OH TYR B 46 10.817 -10.465 2.879 1.00 0.00 O ATOM 0 H TYR B 46 14.006 -5.980 3.315 1.00 0.00 H new ATOM 0 HA TYR B 46 13.150 -3.607 1.839 1.00 0.00 H new ATOM 0 HB2 TYR B 46 10.749 -4.354 2.732 1.00 0.00 H new ATOM 0 HB3 TYR B 46 11.309 -4.650 1.098 1.00 0.00 H new ATOM 0 HD1 TYR B 46 11.420 -6.290 4.473 1.00 0.00 H new ATOM 0 HD2 TYR B 46 11.120 -6.811 0.259 1.00 0.00 H new ATOM 0 HE1 TYR B 46 11.147 -8.708 4.794 1.00 0.00 H new ATOM 0 HE2 TYR B 46 10.825 -9.226 0.575 1.00 0.00 H new ATOM 0 HH TYR B 46 11.282 -10.943 2.161 1.00 0.00 H new ATOM 733 N LYS B 47 13.056 -2.583 4.085 1.00 0.00 N ATOM 734 CA LYS B 47 13.221 -1.955 5.377 1.00 0.00 C ATOM 735 C LYS B 47 11.882 -1.699 6.037 1.00 0.00 C ATOM 736 O LYS B 47 11.772 -1.680 7.265 1.00 0.00 O ATOM 737 CB LYS B 47 13.991 -0.650 5.205 1.00 0.00 C ATOM 738 CG LYS B 47 15.494 -0.843 5.184 1.00 0.00 C ATOM 739 CD LYS B 47 15.982 -1.375 6.517 1.00 0.00 C ATOM 740 CE LYS B 47 15.481 -0.498 7.655 1.00 0.00 C ATOM 741 NZ LYS B 47 15.973 -0.949 8.983 1.00 0.00 N ATOM 0 H LYS B 47 13.059 -1.932 3.300 1.00 0.00 H new ATOM 0 HA LYS B 47 13.782 -2.627 6.026 1.00 0.00 H new ATOM 0 HB2 LYS B 47 13.679 -0.171 4.277 1.00 0.00 H new ATOM 0 HB3 LYS B 47 13.729 0.029 6.017 1.00 0.00 H new ATOM 0 HG2 LYS B 47 15.766 -1.536 4.388 1.00 0.00 H new ATOM 0 HG3 LYS B 47 15.985 0.105 4.963 1.00 0.00 H new ATOM 0 HD2 LYS B 47 15.633 -2.398 6.657 1.00 0.00 H new ATOM 0 HD3 LYS B 47 17.072 -1.406 6.526 1.00 0.00 H new ATOM 0 HE2 LYS B 47 15.799 0.530 7.484 1.00 0.00 H new ATOM 0 HE3 LYS B 47 14.391 -0.498 7.656 1.00 0.00 H new ATOM 0 HZ1 LYS B 47 15.934 -0.156 9.655 1.00 0.00 H new ATOM 0 HZ2 LYS B 47 15.375 -1.727 9.329 1.00 0.00 H new ATOM 0 HZ3 LYS B 47 16.955 -1.280 8.895 1.00 0.00 H new ATOM 755 N LEU B 48 10.873 -1.510 5.219 1.00 0.00 N ATOM 756 CA LEU B 48 9.543 -1.221 5.720 1.00 0.00 C ATOM 757 C LEU B 48 8.503 -2.078 5.009 1.00 0.00 C ATOM 758 O LEU B 48 8.551 -2.250 3.791 1.00 0.00 O ATOM 759 CB LEU B 48 9.234 0.270 5.534 1.00 0.00 C ATOM 760 CG LEU B 48 8.487 0.951 6.690 1.00 0.00 C ATOM 761 CD1 LEU B 48 7.092 0.392 6.846 1.00 0.00 C ATOM 762 CD2 LEU B 48 9.244 0.785 7.990 1.00 0.00 C ATOM 0 H LEU B 48 10.944 -1.551 4.202 1.00 0.00 H new ATOM 0 HA LEU B 48 9.505 -1.460 6.783 1.00 0.00 H new ATOM 0 HB2 LEU B 48 10.174 0.798 5.373 1.00 0.00 H new ATOM 0 HB3 LEU B 48 8.643 0.388 4.626 1.00 0.00 H new ATOM 0 HG LEU B 48 8.414 2.012 6.449 1.00 0.00 H new ATOM 0 HD11 LEU B 48 6.589 0.894 7.672 1.00 0.00 H new ATOM 0 HD12 LEU B 48 6.530 0.555 5.926 1.00 0.00 H new ATOM 0 HD13 LEU B 48 7.149 -0.677 7.052 1.00 0.00 H new ATOM 0 HD21 LEU B 48 8.696 1.275 8.795 1.00 0.00 H new ATOM 0 HD22 LEU B 48 9.350 -0.276 8.217 1.00 0.00 H new ATOM 0 HD23 LEU B 48 10.232 1.236 7.896 1.00 0.00 H new ATOM 774 N ARG B 49 7.581 -2.630 5.783 1.00 0.00 N ATOM 775 CA ARG B 49 6.473 -3.397 5.238 1.00 0.00 C ATOM 776 C ARG B 49 5.156 -2.764 5.667 1.00 0.00 C ATOM 777 O ARG B 49 4.926 -2.544 6.856 1.00 0.00 O ATOM 778 CB ARG B 49 6.530 -4.843 5.727 1.00 0.00 C ATOM 779 CG ARG B 49 5.521 -5.760 5.056 1.00 0.00 C ATOM 780 CD ARG B 49 5.324 -7.043 5.849 1.00 0.00 C ATOM 781 NE ARG B 49 4.617 -6.795 7.105 1.00 0.00 N ATOM 782 CZ ARG B 49 4.554 -7.660 8.119 1.00 0.00 C ATOM 783 NH1 ARG B 49 5.164 -8.835 8.045 1.00 0.00 N ATOM 784 NH2 ARG B 49 3.871 -7.347 9.212 1.00 0.00 N ATOM 0 H ARG B 49 7.580 -2.559 6.801 1.00 0.00 H new ATOM 0 HA ARG B 49 6.546 -3.393 4.150 1.00 0.00 H new ATOM 0 HB2 ARG B 49 7.533 -5.235 5.556 1.00 0.00 H new ATOM 0 HB3 ARG B 49 6.361 -4.859 6.804 1.00 0.00 H new ATOM 0 HG2 ARG B 49 4.567 -5.242 4.956 1.00 0.00 H new ATOM 0 HG3 ARG B 49 5.860 -6.002 4.049 1.00 0.00 H new ATOM 0 HD2 ARG B 49 4.762 -7.759 5.250 1.00 0.00 H new ATOM 0 HD3 ARG B 49 6.294 -7.494 6.059 1.00 0.00 H new ATOM 0 HE ARG B 49 4.140 -5.900 7.213 1.00 0.00 H new ATOM 0 HH11 ARG B 49 5.688 -9.086 7.207 1.00 0.00 H new ATOM 0 HH12 ARG B 49 5.109 -9.488 8.826 1.00 0.00 H new ATOM 0 HH21 ARG B 49 3.395 -6.447 9.276 1.00 0.00 H new ATOM 0 HH22 ARG B 49 3.821 -8.006 9.989 1.00 0.00 H new ATOM 798 N ILE B 50 4.309 -2.449 4.705 1.00 0.00 N ATOM 799 CA ILE B 50 3.018 -1.847 5.000 1.00 0.00 C ATOM 800 C ILE B 50 1.916 -2.724 4.429 1.00 0.00 C ATOM 801 O ILE B 50 1.967 -3.121 3.264 1.00 0.00 O ATOM 802 CB ILE B 50 2.865 -0.404 4.437 1.00 0.00 C ATOM 803 CG1 ILE B 50 4.061 0.497 4.782 1.00 0.00 C ATOM 804 CG2 ILE B 50 1.602 0.232 4.991 1.00 0.00 C ATOM 805 CD1 ILE B 50 5.335 0.182 4.034 1.00 0.00 C ATOM 0 H ILE B 50 4.490 -2.599 3.712 1.00 0.00 H new ATOM 0 HA ILE B 50 2.944 -1.773 6.085 1.00 0.00 H new ATOM 0 HB ILE B 50 2.814 -0.493 3.352 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.786 1.533 4.581 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.257 0.421 5.851 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.499 1.242 4.594 1.00 0.00 H new ATOM 0 HG22 ILE B 50 0.737 -0.363 4.698 1.00 0.00 H new ATOM 0 HG23 ILE B 50 1.663 0.274 6.079 1.00 0.00 H new ATOM 0 HD11 ILE B 50 6.120 0.871 4.346 1.00 0.00 H new ATOM 0 HD12 ILE B 50 5.642 -0.841 4.253 1.00 0.00 H new ATOM 0 HD13 ILE B 50 5.164 0.288 2.963 1.00 0.00 H new ATOM 817 N LEU B 51 0.942 -3.041 5.260 1.00 0.00 N ATOM 818 CA LEU B 51 -0.155 -3.904 4.865 1.00 0.00 C ATOM 819 C LEU B 51 -1.455 -3.123 4.805 1.00 0.00 C ATOM 820 O LEU B 51 -1.935 -2.626 5.821 1.00 0.00 O ATOM 821 CB LEU B 51 -0.293 -5.071 5.848 1.00 0.00 C ATOM 822 CG LEU B 51 0.290 -6.404 5.375 1.00 0.00 C ATOM 823 CD1 LEU B 51 -0.424 -6.872 4.123 1.00 0.00 C ATOM 824 CD2 LEU B 51 1.784 -6.288 5.122 1.00 0.00 C ATOM 0 H LEU B 51 0.888 -2.710 6.223 1.00 0.00 H new ATOM 0 HA LEU B 51 0.061 -4.299 3.872 1.00 0.00 H new ATOM 0 HB2 LEU B 51 0.192 -4.794 6.784 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -1.351 -5.215 6.068 1.00 0.00 H new ATOM 0 HG LEU B 51 0.139 -7.141 6.164 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -0.000 -7.822 3.796 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -1.485 -7.002 4.336 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -0.301 -6.129 3.335 1.00 0.00 H new ATOM 0 HD21 LEU B 51 2.172 -7.250 4.787 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.966 -5.536 4.354 1.00 0.00 H new ATOM 0 HD23 LEU B 51 2.287 -5.995 6.043 1.00 0.00 H new ATOM 836 N ILE B 52 -2.012 -3.001 3.611 1.00 0.00 N ATOM 837 CA ILE B 52 -3.277 -2.308 3.431 1.00 0.00 C ATOM 838 C ILE B 52 -4.280 -3.239 2.767 1.00 0.00 C ATOM 839 O ILE B 52 -4.191 -3.502 1.571 1.00 0.00 O ATOM 840 CB ILE B 52 -3.137 -1.030 2.567 1.00 0.00 C ATOM 841 CG1 ILE B 52 -2.000 -0.133 3.065 1.00 0.00 C ATOM 842 CG2 ILE B 52 -4.444 -0.255 2.562 1.00 0.00 C ATOM 843 CD1 ILE B 52 -0.653 -0.475 2.467 1.00 0.00 C ATOM 0 H ILE B 52 -1.608 -3.373 2.752 1.00 0.00 H new ATOM 0 HA ILE B 52 -3.620 -2.008 4.421 1.00 0.00 H new ATOM 0 HB ILE B 52 -2.897 -1.343 1.551 1.00 0.00 H new ATOM 0 HG12 ILE B 52 -2.239 0.905 2.832 1.00 0.00 H new ATOM 0 HG13 ILE B 52 -1.936 -0.210 4.150 1.00 0.00 H new ATOM 0 HG21 ILE B 52 -4.333 0.641 1.951 1.00 0.00 H new ATOM 0 HG22 ILE B 52 -5.236 -0.880 2.149 1.00 0.00 H new ATOM 0 HG23 ILE B 52 -4.702 0.030 3.582 1.00 0.00 H new ATOM 0 HD11 ILE B 52 0.104 0.201 2.865 1.00 0.00 H new ATOM 0 HD12 ILE B 52 -0.392 -1.502 2.721 1.00 0.00 H new ATOM 0 HD13 ILE B 52 -0.699 -0.370 1.383 1.00 0.00 H new ATOM 855 N GLU B 53 -5.222 -3.753 3.536 1.00 0.00 N ATOM 856 CA GLU B 53 -6.216 -4.656 2.981 1.00 0.00 C ATOM 857 C GLU B 53 -7.568 -3.971 2.907 1.00 0.00 C ATOM 858 O GLU B 53 -7.854 -3.051 3.677 1.00 0.00 O ATOM 859 CB GLU B 53 -6.316 -5.944 3.802 1.00 0.00 C ATOM 860 CG GLU B 53 -7.019 -5.772 5.138 1.00 0.00 C ATOM 861 CD GLU B 53 -7.012 -7.036 5.974 1.00 0.00 C ATOM 862 OE1 GLU B 53 -7.554 -8.064 5.520 1.00 0.00 O ATOM 863 OE2 GLU B 53 -6.467 -7.007 7.096 1.00 0.00 O ATOM 0 H GLU B 53 -5.321 -3.565 4.534 1.00 0.00 H new ATOM 0 HA GLU B 53 -5.900 -4.924 1.973 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -6.847 -6.695 3.217 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -5.312 -6.329 3.978 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -6.536 -4.970 5.697 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -8.050 -5.463 4.964 1.00 0.00 H new ATOM 870 N ASN B 54 -8.381 -4.417 1.973 1.00 0.00 N ATOM 871 CA ASN B 54 -9.703 -3.854 1.768 1.00 0.00 C ATOM 872 C ASN B 54 -10.733 -4.709 2.477 1.00 0.00 C ATOM 873 O ASN B 54 -10.995 -5.838 2.069 1.00 0.00 O ATOM 874 CB ASN B 54 -10.034 -3.811 0.277 1.00 0.00 C ATOM 875 CG ASN B 54 -11.182 -2.876 -0.071 1.00 0.00 C ATOM 876 OD1 ASN B 54 -12.134 -2.716 0.836 1.00 0.00 O flip ATOM 877 ND2 ASN B 54 -11.213 -2.307 -1.160 1.00 0.00 N flip ATOM 0 H ASN B 54 -8.147 -5.178 1.335 1.00 0.00 H new ATOM 0 HA ASN B 54 -9.719 -2.841 2.170 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -9.146 -3.501 -0.274 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -10.283 -4.817 -0.059 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -10.462 -2.454 -1.834 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -11.990 -1.687 -1.390 1.00 0.00 H new ATOM 884 N LYS B 55 -11.309 -4.177 3.534 1.00 0.00 N ATOM 885 CA LYS B 55 -12.332 -4.884 4.271 1.00 0.00 C ATOM 886 C LYS B 55 -13.476 -3.950 4.640 1.00 0.00 C ATOM 887 O LYS B 55 -13.455 -3.303 5.684 1.00 0.00 O ATOM 888 CB LYS B 55 -11.711 -5.493 5.527 1.00 0.00 C ATOM 889 CG LYS B 55 -10.725 -4.563 6.227 1.00 0.00 C ATOM 890 CD LYS B 55 -10.156 -5.203 7.480 1.00 0.00 C ATOM 891 CE LYS B 55 -11.206 -5.309 8.568 1.00 0.00 C ATOM 892 NZ LYS B 55 -11.405 -4.019 9.282 1.00 0.00 N ATOM 0 H LYS B 55 -11.084 -3.253 3.903 1.00 0.00 H new ATOM 0 HA LYS B 55 -12.741 -5.678 3.646 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -12.506 -5.759 6.224 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -11.200 -6.417 5.259 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -9.913 -4.310 5.545 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -11.225 -3.630 6.488 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -9.773 -6.196 7.243 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -9.313 -4.614 7.841 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -12.151 -5.629 8.129 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -10.910 -6.077 9.283 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -12.143 -4.133 10.006 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -10.515 -3.733 9.738 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -11.696 -3.288 8.603 1.00 0.00 H new ATOM 906 N ALA B 56 -14.477 -3.885 3.780 1.00 0.00 N ATOM 907 CA ALA B 56 -15.667 -3.095 4.055 1.00 0.00 C ATOM 908 C ALA B 56 -16.918 -3.849 3.630 1.00 0.00 C ATOM 909 O ALA B 56 -16.844 -4.726 2.768 1.00 0.00 O ATOM 910 CB ALA B 56 -15.592 -1.746 3.358 1.00 0.00 C ATOM 0 H ALA B 56 -14.491 -4.370 2.883 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.719 -2.919 5.130 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -16.492 -1.172 3.578 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -14.718 -1.200 3.714 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -15.512 -1.897 2.281 1.00 0.00 H new ATOM 916 N PRO B 57 -18.079 -3.528 4.221 1.00 0.00 N ATOM 917 CA PRO B 57 -19.353 -4.142 3.838 1.00 0.00 C ATOM 918 C PRO B 57 -19.671 -3.897 2.371 1.00 0.00 C ATOM 919 O PRO B 57 -20.162 -4.782 1.668 1.00 0.00 O ATOM 920 CB PRO B 57 -20.384 -3.453 4.741 1.00 0.00 C ATOM 921 CG PRO B 57 -19.709 -2.218 5.234 1.00 0.00 C ATOM 922 CD PRO B 57 -18.248 -2.552 5.309 1.00 0.00 C ATOM 0 HA PRO B 57 -19.341 -5.225 3.958 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -21.292 -3.212 4.189 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -20.677 -4.099 5.569 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -19.884 -1.381 4.559 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -20.094 -1.926 6.211 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -17.624 -1.671 5.162 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -17.979 -2.975 6.277 1.00 0.00 H new ATOM 930 N ASN B 58 -19.353 -2.699 1.907 1.00 0.00 N ATOM 931 CA ASN B 58 -19.656 -2.303 0.540 1.00 0.00 C ATOM 932 C ASN B 58 -18.438 -1.661 -0.107 1.00 0.00 C ATOM 933 O ASN B 58 -18.381 -0.448 -0.293 1.00 0.00 O ATOM 934 CB ASN B 58 -20.847 -1.342 0.522 1.00 0.00 C ATOM 935 CG ASN B 58 -22.100 -1.972 1.099 1.00 0.00 C ATOM 936 OD1 ASN B 58 -22.243 -1.906 2.414 1.00 0.00 O flip ATOM 937 ND2 ASN B 58 -22.922 -2.532 0.373 1.00 0.00 N flip ATOM 0 H ASN B 58 -18.883 -1.981 2.459 1.00 0.00 H new ATOM 0 HA ASN B 58 -19.920 -3.191 -0.034 1.00 0.00 H new ATOM 0 HB2 ASN B 58 -20.598 -0.446 1.091 1.00 0.00 H new ATOM 0 HB3 ASN B 58 -21.041 -1.025 -0.503 1.00 0.00 H new ATOM 0 HD21 ASN B 58 -22.775 -2.561 -0.636 1.00 0.00 H new ATOM 0 HD22 ASN B 58 -23.750 -2.967 0.781 1.00 0.00 H new ATOM 944 N SER B 59 -17.460 -2.485 -0.435 1.00 0.00 N ATOM 945 CA SER B 59 -16.223 -2.005 -1.025 1.00 0.00 C ATOM 946 C SER B 59 -16.326 -1.928 -2.538 1.00 0.00 C ATOM 947 O SER B 59 -16.599 -2.925 -3.210 1.00 0.00 O ATOM 948 CB SER B 59 -15.067 -2.926 -0.641 1.00 0.00 C ATOM 949 OG SER B 59 -14.984 -3.086 0.760 1.00 0.00 O ATOM 0 H SER B 59 -17.499 -3.496 -0.302 1.00 0.00 H new ATOM 0 HA SER B 59 -16.038 -1.002 -0.640 1.00 0.00 H new ATOM 0 HB2 SER B 59 -15.202 -3.899 -1.113 1.00 0.00 H new ATOM 0 HB3 SER B 59 -14.131 -2.515 -1.019 1.00 0.00 H new ATOM 0 HG SER B 59 -14.050 -2.998 1.045 1.00 0.00 H new ATOM 955 N LYS B 60 -16.103 -0.738 -3.069 1.00 0.00 N ATOM 956 CA LYS B 60 -16.066 -0.535 -4.507 1.00 0.00 C ATOM 957 C LYS B 60 -14.816 0.238 -4.914 1.00 0.00 C ATOM 958 O LYS B 60 -14.884 1.427 -5.230 1.00 0.00 O ATOM 959 CB LYS B 60 -17.319 0.206 -4.972 1.00 0.00 C ATOM 960 CG LYS B 60 -18.567 -0.663 -5.012 1.00 0.00 C ATOM 961 CD LYS B 60 -19.789 0.115 -5.482 1.00 0.00 C ATOM 962 CE LYS B 60 -19.605 0.677 -6.886 1.00 0.00 C ATOM 963 NZ LYS B 60 -19.391 -0.395 -7.893 1.00 0.00 N ATOM 0 H LYS B 60 -15.944 0.108 -2.521 1.00 0.00 H new ATOM 0 HA LYS B 60 -16.036 -1.513 -4.988 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -17.497 1.051 -4.307 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -17.140 0.615 -5.967 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -18.398 -1.510 -5.678 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -18.757 -1.071 -4.019 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -20.662 -0.537 -5.465 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -19.987 0.932 -4.788 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -20.483 1.261 -7.160 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -18.754 1.358 -6.895 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -19.423 0.015 -8.848 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -18.463 -0.838 -7.737 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -20.137 -1.113 -7.799 1.00 0.00 H new ATOM 977 N PRO B 61 -13.648 -0.423 -4.885 1.00 0.00 N ATOM 978 CA PRO B 61 -12.403 0.169 -5.359 1.00 0.00 C ATOM 979 C PRO B 61 -12.325 0.175 -6.876 1.00 0.00 C ATOM 980 O PRO B 61 -12.681 -0.801 -7.538 1.00 0.00 O ATOM 981 CB PRO B 61 -11.329 -0.741 -4.780 1.00 0.00 C ATOM 982 CG PRO B 61 -11.991 -2.068 -4.634 1.00 0.00 C ATOM 983 CD PRO B 61 -13.448 -1.793 -4.377 1.00 0.00 C ATOM 0 HA PRO B 61 -12.302 1.210 -5.054 1.00 0.00 H new ATOM 0 HB2 PRO B 61 -10.464 -0.801 -5.440 1.00 0.00 H new ATOM 0 HB3 PRO B 61 -10.972 -0.370 -3.820 1.00 0.00 H new ATOM 0 HG2 PRO B 61 -11.862 -2.667 -5.536 1.00 0.00 H new ATOM 0 HG3 PRO B 61 -11.552 -2.632 -3.811 1.00 0.00 H new ATOM 0 HD2 PRO B 61 -14.087 -2.508 -4.896 1.00 0.00 H new ATOM 0 HD3 PRO B 61 -13.686 -1.864 -3.316 1.00 0.00 H new ATOM 991 N ASP B 62 -11.851 1.277 -7.414 1.00 0.00 N ATOM 992 CA ASP B 62 -11.773 1.450 -8.858 1.00 0.00 C ATOM 993 C ASP B 62 -10.415 1.015 -9.377 1.00 0.00 C ATOM 994 O ASP B 62 -10.308 0.061 -10.146 1.00 0.00 O ATOM 995 CB ASP B 62 -12.047 2.905 -9.240 1.00 0.00 C ATOM 996 CG ASP B 62 -11.909 3.149 -10.731 1.00 0.00 C ATOM 997 OD1 ASP B 62 -12.647 2.520 -11.517 1.00 0.00 O ATOM 998 OD2 ASP B 62 -11.073 3.985 -11.122 1.00 0.00 O ATOM 0 H ASP B 62 -11.511 2.073 -6.875 1.00 0.00 H new ATOM 0 HA ASP B 62 -12.535 0.821 -9.318 1.00 0.00 H new ATOM 0 HB2 ASP B 62 -13.053 3.178 -8.922 1.00 0.00 H new ATOM 0 HB3 ASP B 62 -11.356 3.555 -8.703 1.00 0.00 H new ATOM 1003 N ARG B 63 -9.375 1.697 -8.933 1.00 0.00 N ATOM 1004 CA ARG B 63 -8.025 1.402 -9.380 1.00 0.00 C ATOM 1005 C ARG B 63 -7.020 1.942 -8.382 1.00 0.00 C ATOM 1006 O ARG B 63 -7.387 2.656 -7.449 1.00 0.00 O ATOM 1007 CB ARG B 63 -7.786 2.016 -10.758 1.00 0.00 C ATOM 1008 CG ARG B 63 -7.894 3.529 -10.771 1.00 0.00 C ATOM 1009 CD ARG B 63 -8.137 4.048 -12.173 1.00 0.00 C ATOM 1010 NE ARG B 63 -7.020 3.766 -13.072 1.00 0.00 N ATOM 1011 CZ ARG B 63 -7.061 3.953 -14.391 1.00 0.00 C ATOM 1012 NH1 ARG B 63 -8.173 4.395 -14.968 1.00 0.00 N ATOM 1013 NH2 ARG B 63 -5.995 3.683 -15.135 1.00 0.00 N ATOM 0 H ARG B 63 -9.439 2.462 -8.261 1.00 0.00 H new ATOM 0 HA ARG B 63 -7.901 0.321 -9.452 1.00 0.00 H new ATOM 0 HB2 ARG B 63 -6.796 1.727 -11.109 1.00 0.00 H new ATOM 0 HB3 ARG B 63 -8.508 1.602 -11.462 1.00 0.00 H new ATOM 0 HG2 ARG B 63 -8.708 3.844 -10.118 1.00 0.00 H new ATOM 0 HG3 ARG B 63 -6.978 3.965 -10.372 1.00 0.00 H new ATOM 0 HD2 ARG B 63 -9.045 3.596 -12.573 1.00 0.00 H new ATOM 0 HD3 ARG B 63 -8.307 5.124 -12.135 1.00 0.00 H new ATOM 0 HE ARG B 63 -6.157 3.404 -12.666 1.00 0.00 H new ATOM 0 HH11 ARG B 63 -8.998 4.592 -14.401 1.00 0.00 H new ATOM 0 HH12 ARG B 63 -8.202 4.537 -15.978 1.00 0.00 H new ATOM 0 HH21 ARG B 63 -5.143 3.332 -14.697 1.00 0.00 H new ATOM 0 HH22 ARG B 63 -6.028 3.827 -16.144 1.00 0.00 H new ATOM 1027 N PHE B 64 -5.760 1.605 -8.582 1.00 0.00 N ATOM 1028 CA PHE B 64 -4.705 2.051 -7.695 1.00 0.00 C ATOM 1029 C PHE B 64 -3.621 2.766 -8.474 1.00 0.00 C ATOM 1030 O PHE B 64 -3.136 2.262 -9.488 1.00 0.00 O ATOM 1031 CB PHE B 64 -4.103 0.872 -6.930 1.00 0.00 C ATOM 1032 CG PHE B 64 -5.007 0.326 -5.866 1.00 0.00 C ATOM 1033 CD1 PHE B 64 -5.102 0.963 -4.643 1.00 0.00 C ATOM 1034 CD2 PHE B 64 -5.758 -0.815 -6.086 1.00 0.00 C ATOM 1035 CE1 PHE B 64 -5.931 0.471 -3.653 1.00 0.00 C ATOM 1036 CE2 PHE B 64 -6.589 -1.313 -5.101 1.00 0.00 C ATOM 1037 CZ PHE B 64 -6.674 -0.669 -3.883 1.00 0.00 C ATOM 0 H PHE B 64 -5.442 1.021 -9.355 1.00 0.00 H new ATOM 0 HA PHE B 64 -5.142 2.746 -6.978 1.00 0.00 H new ATOM 0 HB2 PHE B 64 -3.863 0.076 -7.635 1.00 0.00 H new ATOM 0 HB3 PHE B 64 -3.165 1.187 -6.473 1.00 0.00 H new ATOM 0 HD1 PHE B 64 -4.522 1.855 -4.459 1.00 0.00 H new ATOM 0 HD2 PHE B 64 -5.694 -1.322 -7.038 1.00 0.00 H new ATOM 0 HE1 PHE B 64 -5.997 0.977 -2.701 1.00 0.00 H new ATOM 0 HE2 PHE B 64 -7.171 -2.204 -5.284 1.00 0.00 H new ATOM 0 HZ PHE B 64 -7.321 -1.057 -3.111 1.00 0.00 H new ATOM 1047 N SER B 65 -3.261 3.945 -8.008 1.00 0.00 N ATOM 1048 CA SER B 65 -2.164 4.686 -8.592 1.00 0.00 C ATOM 1049 C SER B 65 -1.289 5.246 -7.481 1.00 0.00 C ATOM 1050 O SER B 65 -1.379 6.424 -7.137 1.00 0.00 O ATOM 1051 CB SER B 65 -2.704 5.818 -9.467 1.00 0.00 C ATOM 1052 OG SER B 65 -3.704 5.340 -10.351 1.00 0.00 O ATOM 0 H SER B 65 -3.715 4.411 -7.223 1.00 0.00 H new ATOM 0 HA SER B 65 -1.567 4.022 -9.218 1.00 0.00 H new ATOM 0 HB2 SER B 65 -3.116 6.606 -8.836 1.00 0.00 H new ATOM 0 HB3 SER B 65 -1.889 6.262 -10.039 1.00 0.00 H new ATOM 0 HG SER B 65 -4.036 6.081 -10.900 1.00 0.00 H new ATOM 1058 N PRO B 66 -0.430 4.400 -6.902 1.00 0.00 N ATOM 1059 CA PRO B 66 0.457 4.809 -5.826 1.00 0.00 C ATOM 1060 C PRO B 66 1.649 5.603 -6.338 1.00 0.00 C ATOM 1061 O PRO B 66 2.112 5.410 -7.463 1.00 0.00 O ATOM 1062 CB PRO B 66 0.906 3.488 -5.213 1.00 0.00 C ATOM 1063 CG PRO B 66 0.816 2.499 -6.321 1.00 0.00 C ATOM 1064 CD PRO B 66 -0.277 2.974 -7.241 1.00 0.00 C ATOM 0 HA PRO B 66 -0.037 5.470 -5.114 1.00 0.00 H new ATOM 0 HB2 PRO B 66 1.923 3.557 -4.828 1.00 0.00 H new ATOM 0 HB3 PRO B 66 0.267 3.203 -4.377 1.00 0.00 H new ATOM 0 HG2 PRO B 66 1.765 2.427 -6.853 1.00 0.00 H new ATOM 0 HG3 PRO B 66 0.591 1.505 -5.934 1.00 0.00 H new ATOM 0 HD2 PRO B 66 -0.005 2.839 -8.288 1.00 0.00 H new ATOM 0 HD3 PRO B 66 -1.203 2.423 -7.079 1.00 0.00 H new ATOM 1072 N SER B 67 2.131 6.510 -5.518 1.00 0.00 N ATOM 1073 CA SER B 67 3.257 7.347 -5.888 1.00 0.00 C ATOM 1074 C SER B 67 3.995 7.816 -4.644 1.00 0.00 C ATOM 1075 O SER B 67 3.376 8.118 -3.620 1.00 0.00 O ATOM 1076 CB SER B 67 2.793 8.553 -6.709 1.00 0.00 C ATOM 1077 OG SER B 67 1.964 8.156 -7.791 1.00 0.00 O ATOM 0 H SER B 67 1.760 6.689 -4.585 1.00 0.00 H new ATOM 0 HA SER B 67 3.935 6.754 -6.501 1.00 0.00 H new ATOM 0 HB2 SER B 67 2.248 9.245 -6.066 1.00 0.00 H new ATOM 0 HB3 SER B 67 3.661 9.090 -7.092 1.00 0.00 H new ATOM 0 HG SER B 67 1.030 8.369 -7.583 1.00 0.00 H new ATOM 1083 N TYR B 68 5.311 7.870 -4.738 1.00 0.00 N ATOM 1084 CA TYR B 68 6.141 8.272 -3.623 1.00 0.00 C ATOM 1085 C TYR B 68 6.675 9.673 -3.843 1.00 0.00 C ATOM 1086 O TYR B 68 7.468 9.917 -4.753 1.00 0.00 O ATOM 1087 CB TYR B 68 7.302 7.294 -3.432 1.00 0.00 C ATOM 1088 CG TYR B 68 8.305 7.743 -2.395 1.00 0.00 C ATOM 1089 CD1 TYR B 68 7.933 7.928 -1.070 1.00 0.00 C ATOM 1090 CD2 TYR B 68 9.625 7.987 -2.745 1.00 0.00 C ATOM 1091 CE1 TYR B 68 8.848 8.346 -0.124 1.00 0.00 C ATOM 1092 CE2 TYR B 68 10.545 8.403 -1.803 1.00 0.00 C ATOM 1093 CZ TYR B 68 10.154 8.582 -0.496 1.00 0.00 C ATOM 1094 OH TYR B 68 11.070 9.001 0.441 1.00 0.00 O ATOM 0 H TYR B 68 5.830 7.638 -5.585 1.00 0.00 H new ATOM 0 HA TYR B 68 5.528 8.263 -2.722 1.00 0.00 H new ATOM 0 HB2 TYR B 68 6.903 6.322 -3.143 1.00 0.00 H new ATOM 0 HB3 TYR B 68 7.813 7.159 -4.385 1.00 0.00 H new ATOM 0 HD1 TYR B 68 6.911 7.742 -0.774 1.00 0.00 H new ATOM 0 HD2 TYR B 68 9.938 7.850 -3.770 1.00 0.00 H new ATOM 0 HE1 TYR B 68 8.542 8.487 0.902 1.00 0.00 H new ATOM 0 HE2 TYR B 68 11.569 8.587 -2.092 1.00 0.00 H new ATOM 0 HH TYR B 68 11.944 9.120 0.014 1.00 0.00 H new ATOM 1104 N ASN B 69 6.227 10.592 -3.020 1.00 0.00 N ATOM 1105 CA ASN B 69 6.723 11.951 -3.077 1.00 0.00 C ATOM 1106 C ASN B 69 7.839 12.146 -2.064 1.00 0.00 C ATOM 1107 O ASN B 69 7.594 12.233 -0.861 1.00 0.00 O ATOM 1108 CB ASN B 69 5.595 12.968 -2.866 1.00 0.00 C ATOM 1109 CG ASN B 69 4.579 12.547 -1.824 1.00 0.00 C ATOM 1110 OD1 ASN B 69 4.733 13.050 -0.615 1.00 0.00 O flip ATOM 1111 ND2 ASN B 69 3.641 11.807 -2.117 1.00 0.00 N flip ATOM 0 H ASN B 69 5.521 10.426 -2.303 1.00 0.00 H new ATOM 0 HA ASN B 69 7.129 12.125 -4.073 1.00 0.00 H new ATOM 0 HB2 ASN B 69 6.030 13.923 -2.571 1.00 0.00 H new ATOM 0 HB3 ASN B 69 5.083 13.131 -3.814 1.00 0.00 H new ATOM 0 HD21 ASN B 69 3.559 11.439 -3.065 1.00 0.00 H new ATOM 0 HD22 ASN B 69 2.946 11.561 -1.412 1.00 0.00 H new ATOM 1118 N PHE B 70 9.068 12.220 -2.580 1.00 0.00 N ATOM 1119 CA PHE B 70 10.271 12.360 -1.759 1.00 0.00 C ATOM 1120 C PHE B 70 10.165 13.586 -0.874 1.00 0.00 C ATOM 1121 O PHE B 70 10.643 13.593 0.257 1.00 0.00 O ATOM 1122 CB PHE B 70 11.516 12.506 -2.643 1.00 0.00 C ATOM 1123 CG PHE B 70 11.872 11.286 -3.445 1.00 0.00 C ATOM 1124 CD1 PHE B 70 11.236 11.014 -4.644 1.00 0.00 C ATOM 1125 CD2 PHE B 70 12.858 10.419 -3.003 1.00 0.00 C ATOM 1126 CE1 PHE B 70 11.575 9.899 -5.384 1.00 0.00 C ATOM 1127 CE2 PHE B 70 13.201 9.304 -3.741 1.00 0.00 C ATOM 1128 CZ PHE B 70 12.559 9.044 -4.934 1.00 0.00 C ATOM 0 H PHE B 70 9.256 12.184 -3.582 1.00 0.00 H new ATOM 0 HA PHE B 70 10.360 11.464 -1.145 1.00 0.00 H new ATOM 0 HB2 PHE B 70 11.361 13.340 -3.328 1.00 0.00 H new ATOM 0 HB3 PHE B 70 12.364 12.766 -2.010 1.00 0.00 H new ATOM 0 HD1 PHE B 70 10.467 11.681 -5.004 1.00 0.00 H new ATOM 0 HD2 PHE B 70 13.364 10.618 -2.070 1.00 0.00 H new ATOM 0 HE1 PHE B 70 11.069 9.696 -6.316 1.00 0.00 H new ATOM 0 HE2 PHE B 70 13.971 8.636 -3.385 1.00 0.00 H new ATOM 0 HZ PHE B 70 12.826 8.173 -5.514 1.00 0.00 H new ATOM 1138 N ALA B 71 9.512 14.607 -1.413 1.00 0.00 N ATOM 1139 CA ALA B 71 9.363 15.892 -0.748 1.00 0.00 C ATOM 1140 C ALA B 71 8.843 15.737 0.676 1.00 0.00 C ATOM 1141 O ALA B 71 9.356 16.359 1.605 1.00 0.00 O ATOM 1142 CB ALA B 71 8.431 16.770 -1.560 1.00 0.00 C ATOM 0 H ALA B 71 9.068 14.565 -2.330 1.00 0.00 H new ATOM 0 HA ALA B 71 10.345 16.359 -0.681 1.00 0.00 H new ATOM 0 HB1 ALA B 71 8.316 17.734 -1.065 1.00 0.00 H new ATOM 0 HB2 ALA B 71 8.848 16.920 -2.556 1.00 0.00 H new ATOM 0 HB3 ALA B 71 7.457 16.287 -1.644 1.00 0.00 H new ATOM 1148 N GLU B 72 7.829 14.902 0.843 1.00 0.00 N ATOM 1149 CA GLU B 72 7.255 14.670 2.159 1.00 0.00 C ATOM 1150 C GLU B 72 7.542 13.250 2.610 1.00 0.00 C ATOM 1151 O GLU B 72 7.043 12.813 3.644 1.00 0.00 O ATOM 1152 CB GLU B 72 5.746 14.884 2.142 1.00 0.00 C ATOM 1153 CG GLU B 72 5.289 16.002 1.222 1.00 0.00 C ATOM 1154 CD GLU B 72 3.813 16.307 1.364 1.00 0.00 C ATOM 1155 OE1 GLU B 72 2.985 15.504 0.891 1.00 0.00 O ATOM 1156 OE2 GLU B 72 3.469 17.351 1.956 1.00 0.00 O ATOM 0 H GLU B 72 7.389 14.376 0.088 1.00 0.00 H new ATOM 0 HA GLU B 72 7.709 15.380 2.850 1.00 0.00 H new ATOM 0 HB2 GLU B 72 5.262 13.956 1.837 1.00 0.00 H new ATOM 0 HB3 GLU B 72 5.409 15.101 3.156 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.864 16.902 1.437 1.00 0.00 H new ATOM 0 HG3 GLU B 72 5.502 15.727 0.189 1.00 0.00 H new ATOM 1163 N ASN B 73 8.335 12.551 1.792 1.00 0.00 N ATOM 1164 CA ASN B 73 8.706 11.141 1.991 1.00 0.00 C ATOM 1165 C ASN B 73 7.481 10.272 2.282 1.00 0.00 C ATOM 1166 O ASN B 73 7.507 9.377 3.130 1.00 0.00 O ATOM 1167 CB ASN B 73 9.792 10.972 3.076 1.00 0.00 C ATOM 1168 CG ASN B 73 9.377 11.467 4.447 1.00 0.00 C ATOM 1169 OD1 ASN B 73 9.653 12.607 4.823 1.00 0.00 O ATOM 1170 ND2 ASN B 73 8.707 10.618 5.201 1.00 0.00 N ATOM 0 H ASN B 73 8.748 12.957 0.952 1.00 0.00 H new ATOM 0 HA ASN B 73 9.139 10.793 1.053 1.00 0.00 H new ATOM 0 HB2 ASN B 73 10.059 9.918 3.147 1.00 0.00 H new ATOM 0 HB3 ASN B 73 10.689 11.507 2.764 1.00 0.00 H new ATOM 0 HD21 ASN B 73 8.398 10.897 6.132 1.00 0.00 H new ATOM 0 HD22 ASN B 73 8.498 9.682 4.853 1.00 0.00 H new ATOM 1177 N ILE B 74 6.410 10.522 1.542 1.00 0.00 N ATOM 1178 CA ILE B 74 5.162 9.810 1.749 1.00 0.00 C ATOM 1179 C ILE B 74 4.762 9.027 0.504 1.00 0.00 C ATOM 1180 O ILE B 74 4.867 9.523 -0.619 1.00 0.00 O ATOM 1181 CB ILE B 74 4.045 10.793 2.161 1.00 0.00 C ATOM 1182 CG1 ILE B 74 4.367 11.365 3.544 1.00 0.00 C ATOM 1183 CG2 ILE B 74 2.679 10.114 2.158 1.00 0.00 C ATOM 1184 CD1 ILE B 74 3.646 12.646 3.871 1.00 0.00 C ATOM 0 H ILE B 74 6.383 11.214 0.793 1.00 0.00 H new ATOM 0 HA ILE B 74 5.309 9.094 2.557 1.00 0.00 H new ATOM 0 HB ILE B 74 4.001 11.604 1.434 1.00 0.00 H new ATOM 0 HG12 ILE B 74 4.118 10.619 4.299 1.00 0.00 H new ATOM 0 HG13 ILE B 74 5.441 11.540 3.610 1.00 0.00 H new ATOM 0 HG21 ILE B 74 1.915 10.833 2.452 1.00 0.00 H new ATOM 0 HG22 ILE B 74 2.460 9.741 1.157 1.00 0.00 H new ATOM 0 HG23 ILE B 74 2.685 9.282 2.862 1.00 0.00 H new ATOM 0 HD11 ILE B 74 3.932 12.980 4.868 1.00 0.00 H new ATOM 0 HD12 ILE B 74 3.913 13.410 3.141 1.00 0.00 H new ATOM 0 HD13 ILE B 74 2.570 12.476 3.841 1.00 0.00 H new ATOM 1196 N LEU B 75 4.334 7.794 0.720 1.00 0.00 N ATOM 1197 CA LEU B 75 3.881 6.927 -0.350 1.00 0.00 C ATOM 1198 C LEU B 75 2.357 6.870 -0.321 1.00 0.00 C ATOM 1199 O LEU B 75 1.766 6.214 0.532 1.00 0.00 O ATOM 1200 CB LEU B 75 4.511 5.528 -0.171 1.00 0.00 C ATOM 1201 CG LEU B 75 4.204 4.470 -1.245 1.00 0.00 C ATOM 1202 CD1 LEU B 75 2.855 3.813 -1.005 1.00 0.00 C ATOM 1203 CD2 LEU B 75 4.256 5.074 -2.638 1.00 0.00 C ATOM 0 H LEU B 75 4.292 7.367 1.645 1.00 0.00 H new ATOM 0 HA LEU B 75 4.191 7.311 -1.322 1.00 0.00 H new ATOM 0 HB2 LEU B 75 5.593 5.650 -0.118 1.00 0.00 H new ATOM 0 HB3 LEU B 75 4.187 5.134 0.792 1.00 0.00 H new ATOM 0 HG LEU B 75 4.974 3.702 -1.173 1.00 0.00 H new ATOM 0 HD11 LEU B 75 2.669 3.071 -1.781 1.00 0.00 H new ATOM 0 HD12 LEU B 75 2.856 3.326 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU B 75 2.072 4.570 -1.032 1.00 0.00 H new ATOM 0 HD21 LEU B 75 4.035 4.304 -3.377 1.00 0.00 H new ATOM 0 HD22 LEU B 75 3.519 5.873 -2.716 1.00 0.00 H new ATOM 0 HD23 LEU B 75 5.251 5.479 -2.822 1.00 0.00 H new ATOM 1215 N TYR B 76 1.716 7.585 -1.228 1.00 0.00 N ATOM 1216 CA TYR B 76 0.266 7.610 -1.255 1.00 0.00 C ATOM 1217 C TYR B 76 -0.249 6.488 -2.146 1.00 0.00 C ATOM 1218 O TYR B 76 0.347 6.179 -3.178 1.00 0.00 O ATOM 1219 CB TYR B 76 -0.251 8.986 -1.713 1.00 0.00 C ATOM 1220 CG TYR B 76 -0.749 9.055 -3.142 1.00 0.00 C ATOM 1221 CD1 TYR B 76 0.107 9.378 -4.185 1.00 0.00 C ATOM 1222 CD2 TYR B 76 -2.084 8.810 -3.441 1.00 0.00 C ATOM 1223 CE1 TYR B 76 -0.353 9.452 -5.486 1.00 0.00 C ATOM 1224 CE2 TYR B 76 -2.552 8.884 -4.737 1.00 0.00 C ATOM 1225 CZ TYR B 76 -1.682 9.205 -5.756 1.00 0.00 C ATOM 1226 OH TYR B 76 -2.146 9.281 -7.052 1.00 0.00 O ATOM 0 H TYR B 76 2.170 8.149 -1.947 1.00 0.00 H new ATOM 0 HA TYR B 76 -0.114 7.447 -0.246 1.00 0.00 H new ATOM 0 HB2 TYR B 76 -1.061 9.289 -1.050 1.00 0.00 H new ATOM 0 HB3 TYR B 76 0.551 9.715 -1.591 1.00 0.00 H new ATOM 0 HD1 TYR B 76 1.148 9.575 -3.977 1.00 0.00 H new ATOM 0 HD2 TYR B 76 -2.768 8.557 -2.644 1.00 0.00 H new ATOM 0 HE1 TYR B 76 0.326 9.702 -6.288 1.00 0.00 H new ATOM 0 HE2 TYR B 76 -3.593 8.692 -4.951 1.00 0.00 H new ATOM 0 HH TYR B 76 -2.050 8.407 -7.486 1.00 0.00 H new ATOM 1236 N ILE B 77 -1.340 5.868 -1.723 1.00 0.00 N ATOM 1237 CA ILE B 77 -1.904 4.734 -2.440 1.00 0.00 C ATOM 1238 C ILE B 77 -3.050 5.175 -3.334 1.00 0.00 C ATOM 1239 O ILE B 77 -3.143 4.780 -4.497 1.00 0.00 O ATOM 1240 CB ILE B 77 -2.434 3.663 -1.463 1.00 0.00 C ATOM 1241 CG1 ILE B 77 -1.297 3.084 -0.614 1.00 0.00 C ATOM 1242 CG2 ILE B 77 -3.159 2.558 -2.222 1.00 0.00 C ATOM 1243 CD1 ILE B 77 -0.246 2.352 -1.417 1.00 0.00 C ATOM 0 H ILE B 77 -1.855 6.132 -0.883 1.00 0.00 H new ATOM 0 HA ILE B 77 -1.103 4.310 -3.046 1.00 0.00 H new ATOM 0 HB ILE B 77 -3.146 4.140 -0.789 1.00 0.00 H new ATOM 0 HG12 ILE B 77 -0.820 3.894 -0.062 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -1.719 2.401 0.123 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -3.526 1.812 -1.517 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -4.000 2.984 -2.769 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.471 2.087 -2.924 1.00 0.00 H new ATOM 0 HD11 ILE B 77 0.525 1.971 -0.747 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.708 1.520 -1.948 1.00 0.00 H new ATOM 0 HD13 ILE B 77 0.204 3.036 -2.136 1.00 0.00 H new ATOM 1255 N ASN B 78 -3.923 5.994 -2.778 1.00 0.00 N ATOM 1256 CA ASN B 78 -5.142 6.375 -3.455 1.00 0.00 C ATOM 1257 C ASN B 78 -5.629 7.698 -2.890 1.00 0.00 C ATOM 1258 O ASN B 78 -5.043 8.219 -1.943 1.00 0.00 O ATOM 1259 CB ASN B 78 -6.199 5.287 -3.227 1.00 0.00 C ATOM 1260 CG ASN B 78 -7.225 5.208 -4.335 1.00 0.00 C ATOM 1261 OD1 ASN B 78 -8.245 5.898 -4.309 1.00 0.00 O ATOM 1262 ND2 ASN B 78 -6.968 4.346 -5.299 1.00 0.00 N ATOM 0 H ASN B 78 -3.807 6.409 -1.853 1.00 0.00 H new ATOM 0 HA ASN B 78 -4.962 6.485 -4.524 1.00 0.00 H new ATOM 0 HB2 ASN B 78 -5.702 4.322 -3.132 1.00 0.00 H new ATOM 0 HB3 ASN B 78 -6.708 5.477 -2.282 1.00 0.00 H new ATOM 0 HD21 ASN B 78 -7.628 4.228 -6.067 1.00 0.00 H new ATOM 0 HD22 ASN B 78 -6.109 3.797 -5.276 1.00 0.00 H new ATOM 1269 N GLY B 79 -6.703 8.231 -3.451 1.00 0.00 N ATOM 1270 CA GLY B 79 -7.318 9.421 -2.895 1.00 0.00 C ATOM 1271 C GLY B 79 -8.078 9.103 -1.623 1.00 0.00 C ATOM 1272 O GLY B 79 -8.710 9.970 -1.022 1.00 0.00 O ATOM 0 H GLY B 79 -7.162 7.861 -4.283 1.00 0.00 H new ATOM 0 HA2 GLY B 79 -6.551 10.166 -2.686 1.00 0.00 H new ATOM 0 HA3 GLY B 79 -7.997 9.859 -3.627 1.00 0.00 H new ATOM 1276 N LYS B 80 -8.010 7.840 -1.221 1.00 0.00 N ATOM 1277 CA LYS B 80 -8.665 7.374 -0.016 1.00 0.00 C ATOM 1278 C LYS B 80 -7.718 7.537 1.159 1.00 0.00 C ATOM 1279 O LYS B 80 -8.107 8.006 2.225 1.00 0.00 O ATOM 1280 CB LYS B 80 -9.049 5.896 -0.153 1.00 0.00 C ATOM 1281 CG LYS B 80 -9.703 5.536 -1.479 1.00 0.00 C ATOM 1282 CD LYS B 80 -11.043 6.232 -1.664 1.00 0.00 C ATOM 1283 CE LYS B 80 -11.755 5.757 -2.924 1.00 0.00 C ATOM 1284 NZ LYS B 80 -11.001 6.093 -4.165 1.00 0.00 N ATOM 0 H LYS B 80 -7.499 7.115 -1.724 1.00 0.00 H new ATOM 0 HA LYS B 80 -9.570 7.960 0.145 1.00 0.00 H new ATOM 0 HB2 LYS B 80 -8.154 5.287 -0.027 1.00 0.00 H new ATOM 0 HB3 LYS B 80 -9.730 5.634 0.657 1.00 0.00 H new ATOM 0 HG2 LYS B 80 -9.037 5.810 -2.297 1.00 0.00 H new ATOM 0 HG3 LYS B 80 -9.845 4.457 -1.531 1.00 0.00 H new ATOM 0 HD2 LYS B 80 -11.674 6.043 -0.796 1.00 0.00 H new ATOM 0 HD3 LYS B 80 -10.889 7.310 -1.717 1.00 0.00 H new ATOM 0 HE2 LYS B 80 -11.900 4.678 -2.871 1.00 0.00 H new ATOM 0 HE3 LYS B 80 -12.746 6.209 -2.970 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 -11.433 5.607 -4.976 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 -11.030 7.121 -4.321 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 -10.012 5.786 -4.064 1.00 0.00 H new ATOM 1298 N LEU B 81 -6.460 7.160 0.944 1.00 0.00 N ATOM 1299 CA LEU B 81 -5.467 7.186 2.004 1.00 0.00 C ATOM 1300 C LEU B 81 -4.040 7.268 1.466 1.00 0.00 C ATOM 1301 O LEU B 81 -3.749 6.849 0.338 1.00 0.00 O ATOM 1302 CB LEU B 81 -5.621 5.976 2.938 1.00 0.00 C ATOM 1303 CG LEU B 81 -5.910 4.625 2.270 1.00 0.00 C ATOM 1304 CD1 LEU B 81 -4.787 4.201 1.337 1.00 0.00 C ATOM 1305 CD2 LEU B 81 -6.128 3.568 3.333 1.00 0.00 C ATOM 0 H LEU B 81 -6.108 6.834 0.044 1.00 0.00 H new ATOM 0 HA LEU B 81 -5.649 8.095 2.577 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -4.706 5.878 3.523 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -6.427 6.188 3.640 1.00 0.00 H new ATOM 0 HG LEU B 81 -6.812 4.736 1.667 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -5.032 3.240 0.885 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -4.663 4.949 0.554 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -3.859 4.110 1.902 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -6.333 2.609 2.856 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -5.233 3.482 3.950 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.975 3.850 3.959 1.00 0.00 H new ATOM 1317 N SER B 82 -3.164 7.828 2.279 1.00 0.00 N ATOM 1318 CA SER B 82 -1.756 7.916 1.954 1.00 0.00 C ATOM 1319 C SER B 82 -0.928 7.273 3.063 1.00 0.00 C ATOM 1320 O SER B 82 -1.317 7.309 4.233 1.00 0.00 O ATOM 1321 CB SER B 82 -1.364 9.380 1.755 1.00 0.00 C ATOM 1322 OG SER B 82 -1.830 10.180 2.829 1.00 0.00 O ATOM 0 H SER B 82 -3.410 8.234 3.182 1.00 0.00 H new ATOM 0 HA SER B 82 -1.560 7.379 1.026 1.00 0.00 H new ATOM 0 HB2 SER B 82 -0.280 9.463 1.678 1.00 0.00 H new ATOM 0 HB3 SER B 82 -1.779 9.747 0.816 1.00 0.00 H new ATOM 0 HG SER B 82 -1.566 11.112 2.681 1.00 0.00 H new ATOM 1328 N ILE B 83 0.193 6.666 2.701 1.00 0.00 N ATOM 1329 CA ILE B 83 1.032 5.979 3.670 1.00 0.00 C ATOM 1330 C ILE B 83 2.321 6.761 3.922 1.00 0.00 C ATOM 1331 O ILE B 83 3.244 6.739 3.106 1.00 0.00 O ATOM 1332 CB ILE B 83 1.378 4.550 3.192 1.00 0.00 C ATOM 1333 CG1 ILE B 83 0.100 3.756 2.894 1.00 0.00 C ATOM 1334 CG2 ILE B 83 2.225 3.829 4.229 1.00 0.00 C ATOM 1335 CD1 ILE B 83 -0.840 3.633 4.075 1.00 0.00 C ATOM 0 H ILE B 83 0.542 6.636 1.743 1.00 0.00 H new ATOM 0 HA ILE B 83 0.469 5.910 4.601 1.00 0.00 H new ATOM 0 HB ILE B 83 1.956 4.628 2.271 1.00 0.00 H new ATOM 0 HG12 ILE B 83 -0.429 4.235 2.070 1.00 0.00 H new ATOM 0 HG13 ILE B 83 0.376 2.757 2.557 1.00 0.00 H new ATOM 0 HG21 ILE B 83 2.458 2.825 3.874 1.00 0.00 H new ATOM 0 HG22 ILE B 83 3.151 4.381 4.390 1.00 0.00 H new ATOM 0 HG23 ILE B 83 1.674 3.763 5.167 1.00 0.00 H new ATOM 0 HD11 ILE B 83 -1.719 3.058 3.782 1.00 0.00 H new ATOM 0 HD12 ILE B 83 -0.331 3.125 4.894 1.00 0.00 H new ATOM 0 HD13 ILE B 83 -1.148 4.627 4.400 1.00 0.00 H new ATOM 1347 N PRO B 84 2.397 7.479 5.051 1.00 0.00 N ATOM 1348 CA PRO B 84 3.586 8.244 5.407 1.00 0.00 C ATOM 1349 C PRO B 84 4.709 7.354 5.913 1.00 0.00 C ATOM 1350 O PRO B 84 4.539 6.576 6.852 1.00 0.00 O ATOM 1351 CB PRO B 84 3.099 9.180 6.504 1.00 0.00 C ATOM 1352 CG PRO B 84 1.956 8.464 7.136 1.00 0.00 C ATOM 1353 CD PRO B 84 1.332 7.609 6.063 1.00 0.00 C ATOM 0 HA PRO B 84 4.006 8.769 4.549 1.00 0.00 H new ATOM 0 HB2 PRO B 84 3.887 9.384 7.229 1.00 0.00 H new ATOM 0 HB3 PRO B 84 2.786 10.140 6.094 1.00 0.00 H new ATOM 0 HG2 PRO B 84 2.297 7.850 7.970 1.00 0.00 H new ATOM 0 HG3 PRO B 84 1.231 9.172 7.537 1.00 0.00 H new ATOM 0 HD2 PRO B 84 1.029 6.637 6.452 1.00 0.00 H new ATOM 0 HD3 PRO B 84 0.440 8.077 5.647 1.00 0.00 H new ATOM 1361 N LEU B 85 5.861 7.492 5.294 1.00 0.00 N ATOM 1362 CA LEU B 85 6.996 6.635 5.591 1.00 0.00 C ATOM 1363 C LEU B 85 7.878 7.270 6.660 1.00 0.00 C ATOM 1364 O LEU B 85 7.853 8.486 6.852 1.00 0.00 O ATOM 1365 CB LEU B 85 7.793 6.386 4.311 1.00 0.00 C ATOM 1366 CG LEU B 85 6.989 5.770 3.165 1.00 0.00 C ATOM 1367 CD1 LEU B 85 7.856 5.621 1.930 1.00 0.00 C ATOM 1368 CD2 LEU B 85 6.411 4.423 3.577 1.00 0.00 C ATOM 0 H LEU B 85 6.040 8.194 4.576 1.00 0.00 H new ATOM 0 HA LEU B 85 6.635 5.681 5.976 1.00 0.00 H new ATOM 0 HB2 LEU B 85 8.215 7.332 3.973 1.00 0.00 H new ATOM 0 HB3 LEU B 85 8.631 5.728 4.543 1.00 0.00 H new ATOM 0 HG LEU B 85 6.162 6.439 2.928 1.00 0.00 H new ATOM 0 HD11 LEU B 85 7.269 5.181 1.124 1.00 0.00 H new ATOM 0 HD12 LEU B 85 8.220 6.601 1.621 1.00 0.00 H new ATOM 0 HD13 LEU B 85 8.703 4.974 2.156 1.00 0.00 H new ATOM 0 HD21 LEU B 85 5.843 4.002 2.748 1.00 0.00 H new ATOM 0 HD22 LEU B 85 7.222 3.745 3.843 1.00 0.00 H new ATOM 0 HD23 LEU B 85 5.754 4.557 4.436 1.00 0.00 H new ATOM 1380 N PRO B 86 8.632 6.448 7.404 1.00 0.00 N ATOM 1381 CA PRO B 86 9.568 6.939 8.414 1.00 0.00 C ATOM 1382 C PRO B 86 10.750 7.669 7.786 1.00 0.00 C ATOM 1383 O PRO B 86 11.313 7.222 6.785 1.00 0.00 O ATOM 1384 CB PRO B 86 10.042 5.669 9.122 1.00 0.00 C ATOM 1385 CG PRO B 86 9.826 4.579 8.135 1.00 0.00 C ATOM 1386 CD PRO B 86 8.619 4.975 7.333 1.00 0.00 C ATOM 0 HA PRO B 86 9.101 7.660 9.085 1.00 0.00 H new ATOM 0 HB2 PRO B 86 11.092 5.743 9.406 1.00 0.00 H new ATOM 0 HB3 PRO B 86 9.476 5.492 10.037 1.00 0.00 H new ATOM 0 HG2 PRO B 86 10.698 4.457 7.492 1.00 0.00 H new ATOM 0 HG3 PRO B 86 9.664 3.625 8.637 1.00 0.00 H new ATOM 0 HD2 PRO B 86 8.686 4.621 6.304 1.00 0.00 H new ATOM 0 HD3 PRO B 86 7.703 4.560 7.754 1.00 0.00 H new ATOM 1394 N ARG B 87 11.139 8.778 8.397 1.00 0.00 N ATOM 1395 CA ARG B 87 12.206 9.615 7.862 1.00 0.00 C ATOM 1396 C ARG B 87 13.573 9.042 8.222 1.00 0.00 C ATOM 1397 O ARG B 87 14.609 9.604 7.867 1.00 0.00 O ATOM 1398 CB ARG B 87 12.099 11.055 8.380 1.00 0.00 C ATOM 1399 CG ARG B 87 10.923 11.848 7.820 1.00 0.00 C ATOM 1400 CD ARG B 87 9.594 11.389 8.401 1.00 0.00 C ATOM 1401 NE ARG B 87 8.462 12.122 7.833 1.00 0.00 N ATOM 1402 CZ ARG B 87 7.188 11.884 8.145 1.00 0.00 C ATOM 1403 NH1 ARG B 87 6.880 10.941 9.027 1.00 0.00 N ATOM 1404 NH2 ARG B 87 6.221 12.593 7.579 1.00 0.00 N ATOM 0 H ARG B 87 10.731 9.121 9.267 1.00 0.00 H new ATOM 0 HA ARG B 87 12.097 9.628 6.778 1.00 0.00 H new ATOM 0 HB2 ARG B 87 12.019 11.031 9.467 1.00 0.00 H new ATOM 0 HB3 ARG B 87 13.022 11.582 8.140 1.00 0.00 H new ATOM 0 HG2 ARG B 87 11.065 12.907 8.035 1.00 0.00 H new ATOM 0 HG3 ARG B 87 10.899 11.743 6.735 1.00 0.00 H new ATOM 0 HD2 ARG B 87 9.466 10.323 8.213 1.00 0.00 H new ATOM 0 HD3 ARG B 87 9.606 11.523 9.483 1.00 0.00 H new ATOM 0 HE ARG B 87 8.660 12.860 7.157 1.00 0.00 H new ATOM 0 HH11 ARG B 87 7.620 10.395 9.469 1.00 0.00 H new ATOM 0 HH12 ARG B 87 5.904 10.762 9.263 1.00 0.00 H new ATOM 0 HH21 ARG B 87 6.451 13.322 6.904 1.00 0.00 H new ATOM 0 HH22 ARG B 87 5.247 12.410 7.819 1.00 0.00 H new ATOM 1418 N ASP B 88 13.567 7.923 8.938 1.00 0.00 N ATOM 1419 CA ASP B 88 14.802 7.255 9.336 1.00 0.00 C ATOM 1420 C ASP B 88 15.254 6.282 8.249 1.00 0.00 C ATOM 1421 O ASP B 88 16.378 5.773 8.269 1.00 0.00 O ATOM 1422 CB ASP B 88 14.586 6.515 10.663 1.00 0.00 C ATOM 1423 CG ASP B 88 15.814 5.764 11.143 1.00 0.00 C ATOM 1424 OD1 ASP B 88 16.813 6.419 11.514 1.00 0.00 O ATOM 1425 OD2 ASP B 88 15.776 4.512 11.180 1.00 0.00 O ATOM 0 H ASP B 88 12.717 7.457 9.256 1.00 0.00 H new ATOM 0 HA ASP B 88 15.583 8.003 9.471 1.00 0.00 H new ATOM 0 HB2 ASP B 88 14.288 7.234 11.426 1.00 0.00 H new ATOM 0 HB3 ASP B 88 13.761 5.812 10.548 1.00 0.00 H new ATOM 1430 N ILE B 89 14.382 6.054 7.281 1.00 0.00 N ATOM 1431 CA ILE B 89 14.634 5.074 6.240 1.00 0.00 C ATOM 1432 C ILE B 89 14.822 5.745 4.886 1.00 0.00 C ATOM 1433 O ILE B 89 14.104 6.687 4.539 1.00 0.00 O ATOM 1434 CB ILE B 89 13.482 4.052 6.167 1.00 0.00 C ATOM 1435 CG1 ILE B 89 13.405 3.280 7.487 1.00 0.00 C ATOM 1436 CG2 ILE B 89 13.666 3.095 4.993 1.00 0.00 C ATOM 1437 CD1 ILE B 89 12.334 2.218 7.515 1.00 0.00 C ATOM 0 H ILE B 89 13.488 6.538 7.195 1.00 0.00 H new ATOM 0 HA ILE B 89 15.556 4.551 6.494 1.00 0.00 H new ATOM 0 HB ILE B 89 12.547 4.588 6.007 1.00 0.00 H new ATOM 0 HG12 ILE B 89 14.371 2.813 7.680 1.00 0.00 H new ATOM 0 HG13 ILE B 89 13.224 3.985 8.298 1.00 0.00 H new ATOM 0 HG21 ILE B 89 12.838 2.386 4.968 1.00 0.00 H new ATOM 0 HG22 ILE B 89 13.687 3.661 4.062 1.00 0.00 H new ATOM 0 HG23 ILE B 89 14.604 2.553 5.109 1.00 0.00 H new ATOM 0 HD11 ILE B 89 12.344 1.717 8.483 1.00 0.00 H new ATOM 0 HD12 ILE B 89 11.360 2.680 7.355 1.00 0.00 H new ATOM 0 HD13 ILE B 89 12.524 1.489 6.727 1.00 0.00 H new ATOM 1449 N VAL B 90 15.803 5.264 4.138 1.00 0.00 N ATOM 1450 CA VAL B 90 16.072 5.774 2.802 1.00 0.00 C ATOM 1451 C VAL B 90 15.149 5.101 1.794 1.00 0.00 C ATOM 1452 O VAL B 90 15.264 3.903 1.530 1.00 0.00 O ATOM 1453 CB VAL B 90 17.541 5.542 2.386 1.00 0.00 C ATOM 1454 CG1 VAL B 90 17.794 6.080 0.985 1.00 0.00 C ATOM 1455 CG2 VAL B 90 18.491 6.186 3.386 1.00 0.00 C ATOM 0 H VAL B 90 16.430 4.516 4.436 1.00 0.00 H new ATOM 0 HA VAL B 90 15.889 6.848 2.817 1.00 0.00 H new ATOM 0 HB VAL B 90 17.727 4.468 2.379 1.00 0.00 H new ATOM 0 HG11 VAL B 90 18.835 5.907 0.711 1.00 0.00 H new ATOM 0 HG12 VAL B 90 17.142 5.569 0.276 1.00 0.00 H new ATOM 0 HG13 VAL B 90 17.586 7.150 0.963 1.00 0.00 H new ATOM 0 HG21 VAL B 90 19.521 6.011 3.074 1.00 0.00 H new ATOM 0 HG22 VAL B 90 18.302 7.259 3.428 1.00 0.00 H new ATOM 0 HG23 VAL B 90 18.331 5.750 4.372 1.00 0.00 H new ATOM 1465 N VAL B 91 14.231 5.874 1.238 1.00 0.00 N ATOM 1466 CA VAL B 91 13.221 5.325 0.349 1.00 0.00 C ATOM 1467 C VAL B 91 13.315 5.924 -1.044 1.00 0.00 C ATOM 1468 O VAL B 91 13.426 7.137 -1.218 1.00 0.00 O ATOM 1469 CB VAL B 91 11.802 5.548 0.913 1.00 0.00 C ATOM 1470 CG1 VAL B 91 10.748 5.039 -0.056 1.00 0.00 C ATOM 1471 CG2 VAL B 91 11.654 4.875 2.271 1.00 0.00 C ATOM 0 H VAL B 91 14.164 6.881 1.386 1.00 0.00 H new ATOM 0 HA VAL B 91 13.411 4.254 0.279 1.00 0.00 H new ATOM 0 HB VAL B 91 11.652 6.620 1.043 1.00 0.00 H new ATOM 0 HG11 VAL B 91 9.756 5.207 0.364 1.00 0.00 H new ATOM 0 HG12 VAL B 91 10.837 5.572 -1.003 1.00 0.00 H new ATOM 0 HG13 VAL B 91 10.894 3.972 -0.225 1.00 0.00 H new ATOM 0 HG21 VAL B 91 10.647 5.043 2.653 1.00 0.00 H new ATOM 0 HG22 VAL B 91 11.829 3.804 2.167 1.00 0.00 H new ATOM 0 HG23 VAL B 91 12.380 5.295 2.966 1.00 0.00 H new ATOM 1481 N ASN B 92 13.307 5.042 -2.027 1.00 0.00 N ATOM 1482 CA ASN B 92 13.315 5.419 -3.432 1.00 0.00 C ATOM 1483 C ASN B 92 12.429 4.462 -4.212 1.00 0.00 C ATOM 1484 O ASN B 92 12.177 3.345 -3.762 1.00 0.00 O ATOM 1485 CB ASN B 92 14.735 5.373 -3.997 1.00 0.00 C ATOM 1486 CG ASN B 92 15.655 4.494 -3.179 1.00 0.00 C ATOM 1487 OD1 ASN B 92 16.450 4.984 -2.377 1.00 0.00 O ATOM 1488 ND2 ASN B 92 15.505 3.191 -3.330 1.00 0.00 N ATOM 0 H ASN B 92 13.295 4.034 -1.873 1.00 0.00 H new ATOM 0 HA ASN B 92 12.938 6.438 -3.524 1.00 0.00 H new ATOM 0 HB2 ASN B 92 14.703 5.005 -5.023 1.00 0.00 H new ATOM 0 HB3 ASN B 92 15.141 6.384 -4.034 1.00 0.00 H new ATOM 0 HD21 ASN B 92 16.061 2.545 -2.769 1.00 0.00 H new ATOM 0 HD22 ASN B 92 14.833 2.830 -4.008 1.00 0.00 H new ATOM 1495 N ALA B 93 11.997 4.887 -5.394 1.00 0.00 N ATOM 1496 CA ALA B 93 11.100 4.092 -6.235 1.00 0.00 C ATOM 1497 C ALA B 93 11.766 2.806 -6.703 1.00 0.00 C ATOM 1498 O ALA B 93 11.108 1.893 -7.195 1.00 0.00 O ATOM 1499 CB ALA B 93 10.648 4.912 -7.433 1.00 0.00 C ATOM 0 H ALA B 93 12.255 5.787 -5.798 1.00 0.00 H new ATOM 0 HA ALA B 93 10.232 3.819 -5.635 1.00 0.00 H new ATOM 0 HB1 ALA B 93 9.981 4.313 -8.053 1.00 0.00 H new ATOM 0 HB2 ALA B 93 10.121 5.801 -7.087 1.00 0.00 H new ATOM 0 HB3 ALA B 93 11.518 5.210 -8.019 1.00 0.00 H new ATOM 1505 N ALA B 94 13.078 2.753 -6.555 1.00 0.00 N ATOM 1506 CA ALA B 94 13.847 1.568 -6.905 1.00 0.00 C ATOM 1507 C ALA B 94 13.705 0.486 -5.837 1.00 0.00 C ATOM 1508 O ALA B 94 13.835 -0.704 -6.124 1.00 0.00 O ATOM 1509 CB ALA B 94 15.310 1.937 -7.095 1.00 0.00 C ATOM 0 H ALA B 94 13.639 3.524 -6.192 1.00 0.00 H new ATOM 0 HA ALA B 94 13.456 1.168 -7.841 1.00 0.00 H new ATOM 0 HB1 ALA B 94 15.879 1.045 -7.357 1.00 0.00 H new ATOM 0 HB2 ALA B 94 15.399 2.672 -7.895 1.00 0.00 H new ATOM 0 HB3 ALA B 94 15.702 2.359 -6.170 1.00 0.00 H new ATOM 1515 N ASP B 95 13.423 0.905 -4.605 1.00 0.00 N ATOM 1516 CA ASP B 95 13.297 -0.014 -3.490 1.00 0.00 C ATOM 1517 C ASP B 95 11.836 -0.330 -3.221 1.00 0.00 C ATOM 1518 O ASP B 95 11.505 -1.387 -2.692 1.00 0.00 O ATOM 1519 CB ASP B 95 13.917 0.601 -2.237 1.00 0.00 C ATOM 1520 CG ASP B 95 15.339 0.138 -1.978 1.00 0.00 C ATOM 1521 OD1 ASP B 95 15.546 -1.067 -1.725 1.00 0.00 O ATOM 1522 OD2 ASP B 95 16.260 0.981 -2.020 1.00 0.00 O ATOM 0 H ASP B 95 13.278 1.884 -4.359 1.00 0.00 H new ATOM 0 HA ASP B 95 13.819 -0.936 -3.745 1.00 0.00 H new ATOM 0 HB2 ASP B 95 13.908 1.687 -2.332 1.00 0.00 H new ATOM 0 HB3 ASP B 95 13.299 0.351 -1.375 1.00 0.00 H new ATOM 1527 N ILE B 96 10.966 0.598 -3.592 1.00 0.00 N ATOM 1528 CA ILE B 96 9.540 0.468 -3.330 1.00 0.00 C ATOM 1529 C ILE B 96 8.909 -0.645 -4.167 1.00 0.00 C ATOM 1530 O ILE B 96 8.840 -0.560 -5.395 1.00 0.00 O ATOM 1531 CB ILE B 96 8.823 1.802 -3.604 1.00 0.00 C ATOM 1532 CG1 ILE B 96 9.333 2.871 -2.645 1.00 0.00 C ATOM 1533 CG2 ILE B 96 7.315 1.645 -3.468 1.00 0.00 C ATOM 1534 CD1 ILE B 96 8.933 4.267 -3.049 1.00 0.00 C ATOM 0 H ILE B 96 11.226 1.456 -4.079 1.00 0.00 H new ATOM 0 HA ILE B 96 9.423 0.203 -2.279 1.00 0.00 H new ATOM 0 HB ILE B 96 9.040 2.108 -4.627 1.00 0.00 H new ATOM 0 HG12 ILE B 96 8.952 2.665 -1.645 1.00 0.00 H new ATOM 0 HG13 ILE B 96 10.420 2.812 -2.590 1.00 0.00 H new ATOM 0 HG21 ILE B 96 6.830 2.601 -3.666 1.00 0.00 H new ATOM 0 HG22 ILE B 96 6.960 0.903 -4.184 1.00 0.00 H new ATOM 0 HG23 ILE B 96 7.073 1.318 -2.457 1.00 0.00 H new ATOM 0 HD11 ILE B 96 9.326 4.982 -2.326 1.00 0.00 H new ATOM 0 HD12 ILE B 96 9.337 4.490 -4.037 1.00 0.00 H new ATOM 0 HD13 ILE B 96 7.846 4.340 -3.077 1.00 0.00 H new ATOM 1546 N LYS B 97 8.464 -1.688 -3.486 1.00 0.00 N ATOM 1547 CA LYS B 97 7.818 -2.823 -4.123 1.00 0.00 C ATOM 1548 C LYS B 97 6.338 -2.845 -3.764 1.00 0.00 C ATOM 1549 O LYS B 97 5.974 -3.134 -2.623 1.00 0.00 O ATOM 1550 CB LYS B 97 8.474 -4.134 -3.674 1.00 0.00 C ATOM 1551 CG LYS B 97 9.993 -4.134 -3.768 1.00 0.00 C ATOM 1552 CD LYS B 97 10.484 -3.676 -5.139 1.00 0.00 C ATOM 1553 CE LYS B 97 9.979 -4.568 -6.268 1.00 0.00 C ATOM 1554 NZ LYS B 97 10.656 -5.891 -6.296 1.00 0.00 N ATOM 0 H LYS B 97 8.541 -1.771 -2.472 1.00 0.00 H new ATOM 0 HA LYS B 97 7.929 -2.724 -5.203 1.00 0.00 H new ATOM 0 HB2 LYS B 97 8.185 -4.338 -2.643 1.00 0.00 H new ATOM 0 HB3 LYS B 97 8.083 -4.950 -4.282 1.00 0.00 H new ATOM 0 HG2 LYS B 97 10.403 -3.479 -2.999 1.00 0.00 H new ATOM 0 HG3 LYS B 97 10.368 -5.137 -3.566 1.00 0.00 H new ATOM 0 HD2 LYS B 97 10.156 -2.652 -5.315 1.00 0.00 H new ATOM 0 HD3 LYS B 97 11.574 -3.667 -5.147 1.00 0.00 H new ATOM 0 HE2 LYS B 97 8.905 -4.716 -6.157 1.00 0.00 H new ATOM 0 HE3 LYS B 97 10.134 -4.064 -7.222 1.00 0.00 H new ATOM 0 HZ1 LYS B 97 10.186 -6.507 -6.990 1.00 0.00 H new ATOM 0 HZ2 LYS B 97 11.653 -5.765 -6.563 1.00 0.00 H new ATOM 0 HZ3 LYS B 97 10.603 -6.328 -5.354 1.00 0.00 H new ATOM 1568 N ILE B 98 5.491 -2.523 -4.728 1.00 0.00 N ATOM 1569 CA ILE B 98 4.055 -2.497 -4.500 1.00 0.00 C ATOM 1570 C ILE B 98 3.362 -3.612 -5.275 1.00 0.00 C ATOM 1571 O ILE B 98 3.388 -3.636 -6.509 1.00 0.00 O ATOM 1572 CB ILE B 98 3.453 -1.136 -4.909 1.00 0.00 C ATOM 1573 CG1 ILE B 98 4.182 -0.003 -4.186 1.00 0.00 C ATOM 1574 CG2 ILE B 98 1.963 -1.092 -4.601 1.00 0.00 C ATOM 1575 CD1 ILE B 98 3.665 1.371 -4.535 1.00 0.00 C ATOM 0 H ILE B 98 5.773 -2.276 -5.677 1.00 0.00 H new ATOM 0 HA ILE B 98 3.891 -2.649 -3.433 1.00 0.00 H new ATOM 0 HB ILE B 98 3.581 -1.008 -5.984 1.00 0.00 H new ATOM 0 HG12 ILE B 98 4.092 -0.153 -3.110 1.00 0.00 H new ATOM 0 HG13 ILE B 98 5.244 -0.054 -4.427 1.00 0.00 H new ATOM 0 HG21 ILE B 98 1.559 -0.124 -4.897 1.00 0.00 H new ATOM 0 HG22 ILE B 98 1.454 -1.882 -5.153 1.00 0.00 H new ATOM 0 HG23 ILE B 98 1.808 -1.238 -3.532 1.00 0.00 H new ATOM 0 HD11 ILE B 98 4.230 2.123 -3.984 1.00 0.00 H new ATOM 0 HD12 ILE B 98 3.780 1.542 -5.605 1.00 0.00 H new ATOM 0 HD13 ILE B 98 2.611 1.442 -4.268 1.00 0.00 H new ATOM 1587 N PHE B 99 2.750 -4.535 -4.545 1.00 0.00 N ATOM 1588 CA PHE B 99 2.040 -5.649 -5.152 1.00 0.00 C ATOM 1589 C PHE B 99 0.633 -5.756 -4.584 1.00 0.00 C ATOM 1590 O PHE B 99 0.444 -5.947 -3.380 1.00 0.00 O ATOM 1591 CB PHE B 99 2.783 -6.963 -4.924 1.00 0.00 C ATOM 1592 CG PHE B 99 4.096 -7.068 -5.647 1.00 0.00 C ATOM 1593 CD1 PHE B 99 4.147 -7.552 -6.944 1.00 0.00 C ATOM 1594 CD2 PHE B 99 5.279 -6.699 -5.028 1.00 0.00 C ATOM 1595 CE1 PHE B 99 5.352 -7.665 -7.610 1.00 0.00 C ATOM 1596 CE2 PHE B 99 6.486 -6.807 -5.690 1.00 0.00 C ATOM 1597 CZ PHE B 99 6.523 -7.292 -6.981 1.00 0.00 C ATOM 0 H PHE B 99 2.732 -4.532 -3.525 1.00 0.00 H new ATOM 0 HA PHE B 99 1.983 -5.461 -6.224 1.00 0.00 H new ATOM 0 HB2 PHE B 99 2.960 -7.085 -3.855 1.00 0.00 H new ATOM 0 HB3 PHE B 99 2.143 -7.787 -5.238 1.00 0.00 H new ATOM 0 HD1 PHE B 99 3.234 -7.845 -7.441 1.00 0.00 H new ATOM 0 HD2 PHE B 99 5.257 -6.323 -4.016 1.00 0.00 H new ATOM 0 HE1 PHE B 99 5.378 -8.044 -8.621 1.00 0.00 H new ATOM 0 HE2 PHE B 99 7.401 -6.512 -5.197 1.00 0.00 H new ATOM 0 HZ PHE B 99 7.467 -7.380 -7.499 1.00 0.00 H new ATOM 1607 N HIS B 100 -0.350 -5.624 -5.452 1.00 0.00 N ATOM 1608 CA HIS B 100 -1.744 -5.700 -5.046 1.00 0.00 C ATOM 1609 C HIS B 100 -2.303 -7.091 -5.310 1.00 0.00 C ATOM 1610 O HIS B 100 -2.486 -7.491 -6.457 1.00 0.00 O ATOM 1611 CB HIS B 100 -2.577 -4.649 -5.789 1.00 0.00 C ATOM 1612 CG HIS B 100 -4.029 -4.645 -5.409 1.00 0.00 C ATOM 1613 ND1 HIS B 100 -5.054 -4.641 -6.334 1.00 0.00 N ATOM 1614 CD2 HIS B 100 -4.626 -4.638 -4.193 1.00 0.00 C ATOM 1615 CE1 HIS B 100 -6.212 -4.634 -5.703 1.00 0.00 C ATOM 1616 NE2 HIS B 100 -5.979 -4.632 -4.405 1.00 0.00 N ATOM 0 H HIS B 100 -0.210 -5.463 -6.449 1.00 0.00 H new ATOM 0 HA HIS B 100 -1.799 -5.499 -3.976 1.00 0.00 H new ATOM 0 HB2 HIS B 100 -2.157 -3.662 -5.593 1.00 0.00 H new ATOM 0 HB3 HIS B 100 -2.493 -4.824 -6.861 1.00 0.00 H new ATOM 0 HD1 HIS B 100 -4.934 -4.643 -7.347 1.00 0.00 H new ATOM 0 HD2 HIS B 100 -4.128 -4.637 -3.235 1.00 0.00 H new ATOM 0 HE1 HIS B 100 -7.186 -4.630 -6.170 1.00 0.00 H new ATOM 1625 N ILE B 101 -2.565 -7.823 -4.243 1.00 0.00 N ATOM 1626 CA ILE B 101 -3.171 -9.135 -4.357 1.00 0.00 C ATOM 1627 C ILE B 101 -4.683 -9.008 -4.278 1.00 0.00 C ATOM 1628 O ILE B 101 -5.244 -8.789 -3.205 1.00 0.00 O ATOM 1629 CB ILE B 101 -2.679 -10.086 -3.250 1.00 0.00 C ATOM 1630 CG1 ILE B 101 -1.153 -10.172 -3.264 1.00 0.00 C ATOM 1631 CG2 ILE B 101 -3.288 -11.469 -3.432 1.00 0.00 C ATOM 1632 CD1 ILE B 101 -0.592 -11.032 -2.157 1.00 0.00 C ATOM 0 H ILE B 101 -2.367 -7.530 -3.286 1.00 0.00 H new ATOM 0 HA ILE B 101 -2.879 -9.555 -5.319 1.00 0.00 H new ATOM 0 HB ILE B 101 -2.996 -9.690 -2.285 1.00 0.00 H new ATOM 0 HG12 ILE B 101 -0.828 -10.571 -4.225 1.00 0.00 H new ATOM 0 HG13 ILE B 101 -0.739 -9.167 -3.179 1.00 0.00 H new ATOM 0 HG21 ILE B 101 -2.931 -12.130 -2.642 1.00 0.00 H new ATOM 0 HG22 ILE B 101 -4.375 -11.398 -3.382 1.00 0.00 H new ATOM 0 HG23 ILE B 101 -2.995 -11.871 -4.402 1.00 0.00 H new ATOM 0 HD11 ILE B 101 0.496 -11.050 -2.226 1.00 0.00 H new ATOM 0 HD12 ILE B 101 -0.888 -10.621 -1.192 1.00 0.00 H new ATOM 0 HD13 ILE B 101 -0.978 -12.047 -2.253 1.00 0.00 H new ATOM 1644 N ARG B 102 -5.339 -9.133 -5.419 1.00 0.00 N ATOM 1645 CA ARG B 102 -6.784 -8.978 -5.487 1.00 0.00 C ATOM 1646 C ARG B 102 -7.465 -10.222 -4.934 1.00 0.00 C ATOM 1647 O ARG B 102 -8.568 -10.153 -4.400 1.00 0.00 O ATOM 1648 CB ARG B 102 -7.233 -8.726 -6.927 1.00 0.00 C ATOM 1649 CG ARG B 102 -6.469 -7.604 -7.613 1.00 0.00 C ATOM 1650 CD ARG B 102 -7.068 -7.257 -8.966 1.00 0.00 C ATOM 1651 NE ARG B 102 -7.223 -8.430 -9.819 1.00 0.00 N ATOM 1652 CZ ARG B 102 -7.060 -8.421 -11.139 1.00 0.00 C ATOM 1653 NH1 ARG B 102 -6.648 -7.321 -11.762 1.00 0.00 N ATOM 1654 NH2 ARG B 102 -7.296 -9.523 -11.835 1.00 0.00 N ATOM 0 H ARG B 102 -4.894 -9.342 -6.313 1.00 0.00 H new ATOM 0 HA ARG B 102 -7.070 -8.117 -4.884 1.00 0.00 H new ATOM 0 HB2 ARG B 102 -7.111 -9.643 -7.503 1.00 0.00 H new ATOM 0 HB3 ARG B 102 -8.296 -8.486 -6.931 1.00 0.00 H new ATOM 0 HG2 ARG B 102 -6.473 -6.719 -6.976 1.00 0.00 H new ATOM 0 HG3 ARG B 102 -5.428 -7.899 -7.742 1.00 0.00 H new ATOM 0 HD2 ARG B 102 -8.040 -6.785 -8.821 1.00 0.00 H new ATOM 0 HD3 ARG B 102 -6.431 -6.528 -9.467 1.00 0.00 H new ATOM 0 HE ARG B 102 -7.472 -9.314 -9.375 1.00 0.00 H new ATOM 0 HH11 ARG B 102 -6.454 -6.474 -11.227 1.00 0.00 H new ATOM 0 HH12 ARG B 102 -6.526 -7.324 -12.775 1.00 0.00 H new ATOM 0 HH21 ARG B 102 -7.601 -10.372 -11.358 1.00 0.00 H new ATOM 0 HH22 ARG B 102 -7.173 -9.523 -12.848 1.00 0.00 H new ATOM 1668 N LYS B 103 -6.779 -11.352 -5.052 1.00 0.00 N ATOM 1669 CA LYS B 103 -7.278 -12.626 -4.552 1.00 0.00 C ATOM 1670 C LYS B 103 -7.517 -12.561 -3.044 1.00 0.00 C ATOM 1671 O LYS B 103 -8.526 -13.053 -2.538 1.00 0.00 O ATOM 1672 CB LYS B 103 -6.266 -13.732 -4.868 1.00 0.00 C ATOM 1673 CG LYS B 103 -6.786 -15.137 -4.613 1.00 0.00 C ATOM 1674 CD LYS B 103 -7.898 -15.513 -5.582 1.00 0.00 C ATOM 1675 CE LYS B 103 -7.397 -15.578 -7.019 1.00 0.00 C ATOM 1676 NZ LYS B 103 -6.393 -16.659 -7.213 1.00 0.00 N ATOM 0 H LYS B 103 -5.863 -11.411 -5.496 1.00 0.00 H new ATOM 0 HA LYS B 103 -8.227 -12.845 -5.042 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -5.968 -13.650 -5.913 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -5.370 -13.573 -4.268 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -5.967 -15.850 -4.706 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -7.156 -15.208 -3.590 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -8.316 -16.479 -5.299 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -8.705 -14.783 -5.511 1.00 0.00 H new ATOM 0 HE2 LYS B 103 -8.240 -15.743 -7.690 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -6.955 -14.620 -7.292 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 -6.528 -17.094 -8.148 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -5.435 -16.258 -7.153 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -6.513 -17.381 -6.474 1.00 0.00 H new ATOM 1690 N GLU B 104 -6.583 -11.938 -2.340 1.00 0.00 N ATOM 1691 CA GLU B 104 -6.645 -11.836 -0.890 1.00 0.00 C ATOM 1692 C GLU B 104 -7.195 -10.471 -0.481 1.00 0.00 C ATOM 1693 O GLU B 104 -7.345 -10.173 0.705 1.00 0.00 O ATOM 1694 CB GLU B 104 -5.245 -12.044 -0.299 1.00 0.00 C ATOM 1695 CG GLU B 104 -5.226 -12.303 1.200 1.00 0.00 C ATOM 1696 CD GLU B 104 -5.868 -13.623 1.569 1.00 0.00 C ATOM 1697 OE1 GLU B 104 -5.178 -14.661 1.506 1.00 0.00 O ATOM 1698 OE2 GLU B 104 -7.065 -13.634 1.922 1.00 0.00 O ATOM 0 H GLU B 104 -5.765 -11.491 -2.755 1.00 0.00 H new ATOM 0 HA GLU B 104 -7.312 -12.607 -0.505 1.00 0.00 H new ATOM 0 HB2 GLU B 104 -4.771 -12.884 -0.806 1.00 0.00 H new ATOM 0 HB3 GLU B 104 -4.640 -11.162 -0.510 1.00 0.00 H new ATOM 0 HG2 GLU B 104 -4.195 -12.293 1.554 1.00 0.00 H new ATOM 0 HG3 GLU B 104 -5.747 -11.494 1.712 1.00 0.00 H new ATOM 1705 N ARG B 105 -7.488 -9.646 -1.487 1.00 0.00 N ATOM 1706 CA ARG B 105 -7.997 -8.286 -1.281 1.00 0.00 C ATOM 1707 C ARG B 105 -7.016 -7.460 -0.453 1.00 0.00 C ATOM 1708 O ARG B 105 -7.416 -6.550 0.274 1.00 0.00 O ATOM 1709 CB ARG B 105 -9.363 -8.310 -0.578 1.00 0.00 C ATOM 1710 CG ARG B 105 -10.381 -9.238 -1.220 1.00 0.00 C ATOM 1711 CD ARG B 105 -10.755 -8.800 -2.625 1.00 0.00 C ATOM 1712 NE ARG B 105 -11.707 -9.725 -3.239 1.00 0.00 N ATOM 1713 CZ ARG B 105 -12.058 -9.699 -4.524 1.00 0.00 C ATOM 1714 NH1 ARG B 105 -11.548 -8.786 -5.340 1.00 0.00 N ATOM 1715 NH2 ARG B 105 -12.923 -10.589 -4.991 1.00 0.00 N ATOM 0 H ARG B 105 -7.380 -9.900 -2.469 1.00 0.00 H new ATOM 0 HA ARG B 105 -8.112 -7.827 -2.263 1.00 0.00 H new ATOM 0 HB2 ARG B 105 -9.219 -8.610 0.460 1.00 0.00 H new ATOM 0 HB3 ARG B 105 -9.769 -7.299 -0.564 1.00 0.00 H new ATOM 0 HG2 ARG B 105 -9.977 -10.250 -1.253 1.00 0.00 H new ATOM 0 HG3 ARG B 105 -11.278 -9.273 -0.602 1.00 0.00 H new ATOM 0 HD2 ARG B 105 -11.187 -7.800 -2.593 1.00 0.00 H new ATOM 0 HD3 ARG B 105 -9.857 -8.739 -3.240 1.00 0.00 H new ATOM 0 HE ARG B 105 -12.130 -10.437 -2.644 1.00 0.00 H new ATOM 0 HH11 ARG B 105 -10.883 -8.099 -4.985 1.00 0.00 H new ATOM 0 HH12 ARG B 105 -11.821 -8.771 -6.323 1.00 0.00 H new ATOM 0 HH21 ARG B 105 -13.319 -11.292 -4.367 1.00 0.00 H new ATOM 0 HH22 ARG B 105 -13.193 -10.571 -5.974 1.00 0.00 H new ATOM 1729 N THR B 106 -5.729 -7.765 -0.573 1.00 0.00 N ATOM 1730 CA THR B 106 -4.733 -7.155 0.285 1.00 0.00 C ATOM 1731 C THR B 106 -3.597 -6.547 -0.535 1.00 0.00 C ATOM 1732 O THR B 106 -3.155 -7.122 -1.533 1.00 0.00 O ATOM 1733 CB THR B 106 -4.168 -8.191 1.278 1.00 0.00 C ATOM 1734 OG1 THR B 106 -5.244 -8.842 1.971 1.00 0.00 O ATOM 1735 CG2 THR B 106 -3.251 -7.530 2.292 1.00 0.00 C ATOM 0 H THR B 106 -5.357 -8.428 -1.253 1.00 0.00 H new ATOM 0 HA THR B 106 -5.220 -6.355 0.843 1.00 0.00 H new ATOM 0 HB THR B 106 -3.594 -8.924 0.710 1.00 0.00 H new ATOM 0 HG1 THR B 106 -5.780 -9.357 1.332 1.00 0.00 H new ATOM 0 HG21 THR B 106 -2.867 -8.283 2.980 1.00 0.00 H new ATOM 0 HG22 THR B 106 -2.419 -7.053 1.774 1.00 0.00 H new ATOM 0 HG23 THR B 106 -3.808 -6.779 2.851 1.00 0.00 H new ATOM 1743 N LEU B 107 -3.145 -5.374 -0.121 1.00 0.00 N ATOM 1744 CA LEU B 107 -2.051 -4.692 -0.793 1.00 0.00 C ATOM 1745 C LEU B 107 -0.797 -4.719 0.076 1.00 0.00 C ATOM 1746 O LEU B 107 -0.802 -4.234 1.210 1.00 0.00 O ATOM 1747 CB LEU B 107 -2.448 -3.246 -1.115 1.00 0.00 C ATOM 1748 CG LEU B 107 -1.349 -2.375 -1.732 1.00 0.00 C ATOM 1749 CD1 LEU B 107 -0.826 -2.987 -3.018 1.00 0.00 C ATOM 1750 CD2 LEU B 107 -1.874 -0.976 -1.998 1.00 0.00 C ATOM 0 H LEU B 107 -3.522 -4.872 0.683 1.00 0.00 H new ATOM 0 HA LEU B 107 -1.835 -5.210 -1.727 1.00 0.00 H new ATOM 0 HB2 LEU B 107 -3.297 -3.266 -1.799 1.00 0.00 H new ATOM 0 HB3 LEU B 107 -2.790 -2.770 -0.196 1.00 0.00 H new ATOM 0 HG LEU B 107 -0.525 -2.317 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU B 107 -0.047 -2.348 -3.435 1.00 0.00 H new ATOM 0 HD12 LEU B 107 -0.413 -3.974 -2.810 1.00 0.00 H new ATOM 0 HD13 LEU B 107 -1.642 -3.079 -3.735 1.00 0.00 H new ATOM 0 HD21 LEU B 107 -1.083 -0.368 -2.436 1.00 0.00 H new ATOM 0 HD22 LEU B 107 -2.716 -1.028 -2.688 1.00 0.00 H new ATOM 0 HD23 LEU B 107 -2.201 -0.526 -1.061 1.00 0.00 H new ATOM 1762 N TYR B 108 0.262 -5.313 -0.455 1.00 0.00 N ATOM 1763 CA TYR B 108 1.525 -5.414 0.262 1.00 0.00 C ATOM 1764 C TYR B 108 2.530 -4.387 -0.240 1.00 0.00 C ATOM 1765 O TYR B 108 2.792 -4.289 -1.442 1.00 0.00 O ATOM 1766 CB TYR B 108 2.109 -6.817 0.115 1.00 0.00 C ATOM 1767 CG TYR B 108 1.255 -7.889 0.742 1.00 0.00 C ATOM 1768 CD1 TYR B 108 0.061 -8.275 0.157 1.00 0.00 C ATOM 1769 CD2 TYR B 108 1.638 -8.506 1.924 1.00 0.00 C ATOM 1770 CE1 TYR B 108 -0.733 -9.241 0.730 1.00 0.00 C ATOM 1771 CE2 TYR B 108 0.850 -9.479 2.504 1.00 0.00 C ATOM 1772 CZ TYR B 108 -0.336 -9.842 1.904 1.00 0.00 C ATOM 1773 OH TYR B 108 -1.130 -10.805 2.483 1.00 0.00 O ATOM 0 H TYR B 108 0.271 -5.734 -1.384 1.00 0.00 H new ATOM 0 HA TYR B 108 1.324 -5.214 1.314 1.00 0.00 H new ATOM 0 HB2 TYR B 108 2.239 -7.039 -0.944 1.00 0.00 H new ATOM 0 HB3 TYR B 108 3.100 -6.840 0.569 1.00 0.00 H new ATOM 0 HD1 TYR B 108 -0.253 -7.809 -0.766 1.00 0.00 H new ATOM 0 HD2 TYR B 108 2.566 -8.221 2.397 1.00 0.00 H new ATOM 0 HE1 TYR B 108 -1.663 -9.527 0.262 1.00 0.00 H new ATOM 0 HE2 TYR B 108 1.161 -9.953 3.423 1.00 0.00 H new ATOM 0 HH TYR B 108 -0.705 -11.128 3.305 1.00 0.00 H new ATOM 1783 N ILE B 109 3.075 -3.618 0.690 1.00 0.00 N ATOM 1784 CA ILE B 109 4.109 -2.646 0.380 1.00 0.00 C ATOM 1785 C ILE B 109 5.420 -3.057 1.043 1.00 0.00 C ATOM 1786 O ILE B 109 5.478 -3.215 2.264 1.00 0.00 O ATOM 1787 CB ILE B 109 3.729 -1.234 0.879 1.00 0.00 C ATOM 1788 CG1 ILE B 109 2.320 -0.850 0.415 1.00 0.00 C ATOM 1789 CG2 ILE B 109 4.745 -0.204 0.403 1.00 0.00 C ATOM 1790 CD1 ILE B 109 2.169 -0.779 -1.088 1.00 0.00 C ATOM 0 H ILE B 109 2.814 -3.650 1.676 1.00 0.00 H new ATOM 0 HA ILE B 109 4.219 -2.618 -0.704 1.00 0.00 H new ATOM 0 HB ILE B 109 3.737 -1.249 1.969 1.00 0.00 H new ATOM 0 HG12 ILE B 109 1.608 -1.576 0.808 1.00 0.00 H new ATOM 0 HG13 ILE B 109 2.058 0.118 0.843 1.00 0.00 H new ATOM 0 HG21 ILE B 109 4.459 0.784 0.765 1.00 0.00 H new ATOM 0 HG22 ILE B 109 5.731 -0.460 0.789 1.00 0.00 H new ATOM 0 HG23 ILE B 109 4.773 -0.197 -0.687 1.00 0.00 H new ATOM 0 HD11 ILE B 109 1.145 -0.502 -1.338 1.00 0.00 H new ATOM 0 HD12 ILE B 109 2.855 -0.032 -1.488 1.00 0.00 H new ATOM 0 HD13 ILE B 109 2.398 -1.752 -1.523 1.00 0.00 H new ATOM 1802 N TYR B 110 6.457 -3.250 0.243 1.00 0.00 N ATOM 1803 CA TYR B 110 7.778 -3.573 0.764 1.00 0.00 C ATOM 1804 C TYR B 110 8.774 -2.533 0.290 1.00 0.00 C ATOM 1805 O TYR B 110 8.873 -2.270 -0.902 1.00 0.00 O ATOM 1806 CB TYR B 110 8.231 -4.958 0.299 1.00 0.00 C ATOM 1807 CG TYR B 110 7.314 -6.087 0.706 1.00 0.00 C ATOM 1808 CD1 TYR B 110 6.244 -6.457 -0.097 1.00 0.00 C ATOM 1809 CD2 TYR B 110 7.527 -6.793 1.882 1.00 0.00 C ATOM 1810 CE1 TYR B 110 5.414 -7.499 0.261 1.00 0.00 C ATOM 1811 CE2 TYR B 110 6.698 -7.835 2.248 1.00 0.00 C ATOM 1812 CZ TYR B 110 5.644 -8.183 1.433 1.00 0.00 C ATOM 1813 OH TYR B 110 4.823 -9.229 1.784 1.00 0.00 O ATOM 0 H TYR B 110 6.410 -3.188 -0.774 1.00 0.00 H new ATOM 0 HA TYR B 110 7.727 -3.576 1.853 1.00 0.00 H new ATOM 0 HB2 TYR B 110 8.319 -4.952 -0.787 1.00 0.00 H new ATOM 0 HB3 TYR B 110 9.226 -5.154 0.698 1.00 0.00 H new ATOM 0 HD1 TYR B 110 6.058 -5.921 -1.016 1.00 0.00 H new ATOM 0 HD2 TYR B 110 8.355 -6.523 2.521 1.00 0.00 H new ATOM 0 HE1 TYR B 110 4.587 -7.777 -0.376 1.00 0.00 H new ATOM 0 HE2 TYR B 110 6.875 -8.373 3.167 1.00 0.00 H new ATOM 0 HH TYR B 110 4.910 -9.406 2.744 1.00 0.00 H new ATOM 1823 N ILE B 111 9.502 -1.935 1.209 1.00 0.00 N ATOM 1824 CA ILE B 111 10.442 -0.885 0.853 1.00 0.00 C ATOM 1825 C ILE B 111 11.786 -1.132 1.519 1.00 0.00 C ATOM 1826 O ILE B 111 12.012 -0.608 2.626 1.00 0.00 O ATOM 1827 CB ILE B 111 9.918 0.512 1.250 1.00 0.00 C ATOM 1828 CG1 ILE B 111 8.522 0.746 0.664 1.00 0.00 C ATOM 1829 CG2 ILE B 111 10.881 1.589 0.770 1.00 0.00 C ATOM 1830 CD1 ILE B 111 7.906 2.069 1.061 1.00 0.00 C ATOM 1831 OXT ILE B 111 12.604 -1.871 0.943 1.00 0.00 O ATOM 0 H ILE B 111 9.464 -2.154 2.204 1.00 0.00 H new ATOM 0 HA ILE B 111 10.559 -0.908 -0.230 1.00 0.00 H new ATOM 0 HB ILE B 111 9.849 0.563 2.337 1.00 0.00 H new ATOM 0 HG12 ILE B 111 8.582 0.696 -0.423 1.00 0.00 H new ATOM 0 HG13 ILE B 111 7.864 -0.061 0.985 1.00 0.00 H new ATOM 0 HG21 ILE B 111 10.501 2.570 1.055 1.00 0.00 H new ATOM 0 HG22 ILE B 111 11.859 1.432 1.225 1.00 0.00 H new ATOM 0 HG23 ILE B 111 10.973 1.537 -0.315 1.00 0.00 H new ATOM 0 HD11 ILE B 111 6.919 2.162 0.608 1.00 0.00 H new ATOM 0 HD12 ILE B 111 7.813 2.116 2.146 1.00 0.00 H new ATOM 0 HD13 ILE B 111 8.542 2.884 0.716 1.00 0.00 H new TER 1843 ILE B 111