USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 871 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 GLN : amide:sc= -1.78! K(o=-1.8!,f=0) USER MOD Set 1.2: A 30 HIS : no HD1:sc= 0 K(o=-1.8,f=-0.14) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= -0.194 (180deg=-0.706) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.105 X(o=-0.1,f=-0.0075) USER MOD Single : A 13 SER OG : rot 166:sc= 1.26 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 88:sc= -0.761 USER MOD Single : A 35 ASN : amide:sc= -0.846 X(o=-0.85,f=-0.49) USER MOD Single : A 39 THR OG1 : rot 137:sc= -1.17! USER MOD Single : A 41 SER OG : rot -46:sc= 1.23 USER MOD Single : A 45 LYS NZ :NH3+ 151:sc= 1.33 (180deg=1.22) USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= 1.19 (180deg=0.838) USER MOD Single : A 50 SER OG : rot -53:sc= -1.89! USER MOD Single : A 53 ASN : amide:sc= -4.48! C(o=-4.5!,f=-7.2!) USER MOD Single : A 56 GLN : amide:sc= -2.31! K(o=-2.3!,f=0.07) USER MOD Single : A 60 THR OG1 : rot 123:sc= 0.891 USER MOD Single : A 62 THR OG1 : rot 19:sc= 0.592 USER MOD Single : A 65 LYS NZ :NH3+ -166:sc= 1.07 (180deg=0.933) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 61:sc= 0.184 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0178 USER MOD Single : A 77 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0737) USER MOD Single : A 80 THR OG1 : rot 59:sc= 1.28 USER MOD Single : A 81 LYS NZ :NH3+ -162:sc= -0.0603 (180deg=-0.394) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -1.74 K(o=-1.7,f=-0.22) USER MOD Single : A 92 HIS : no HD1:sc= -0.19 X(o=-0.19,f=-0.05) USER MOD Single : A 96 CYS SG : rot -21:sc= 1.07 USER MOD Single : A 97 LYS NZ :NH3+ -165:sc= 1.33 (180deg=0.888) USER MOD Single : A 104 MET CE :methyl -113:sc= 0 (180deg=-0.0546) USER MOD Single : A 105 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0231) USER MOD Single : A 107 LYS NZ :NH3+ -168:sc= -0.016 (180deg=-0.264) USER MOD Single : A 108 SER OG : rot 35:sc= 1.17 USER MOD Single : A 113 LYS NZ :NH3+ -120:sc= -7.66! (180deg=-9.29!) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.882 13.755 10.936 1.00 0.00 N ATOM 2 CA MET A 1 15.835 13.048 10.167 1.00 0.00 C ATOM 3 C MET A 1 15.081 12.060 11.052 1.00 0.00 C ATOM 4 O MET A 1 14.412 11.157 10.558 1.00 0.00 O ATOM 5 CB MET A 1 16.461 12.330 8.959 1.00 0.00 C ATOM 6 CG MET A 1 17.466 11.244 9.324 1.00 0.00 C ATOM 7 SD MET A 1 16.707 9.619 9.520 1.00 0.00 S ATOM 8 CE MET A 1 17.462 9.076 11.050 1.00 0.00 C ATOM 0 H1 MET A 1 17.586 14.151 10.281 1.00 0.00 H new ATOM 0 H2 MET A 1 16.449 14.524 11.486 1.00 0.00 H new ATOM 0 H3 MET A 1 17.348 13.087 11.583 1.00 0.00 H new ATOM 0 HA MET A 1 15.118 13.783 9.803 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.664 11.885 8.363 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.956 13.069 8.329 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.232 11.190 8.550 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.969 11.519 10.251 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.092 8.083 11.306 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.545 9.040 10.929 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.210 9.774 11.848 1.00 0.00 H new ATOM 18 N VAL A 2 15.156 12.263 12.363 1.00 0.00 N ATOM 19 CA VAL A 2 14.525 11.350 13.310 1.00 0.00 C ATOM 20 C VAL A 2 13.007 11.485 13.266 1.00 0.00 C ATOM 21 O VAL A 2 12.268 10.605 13.706 1.00 0.00 O ATOM 22 CB VAL A 2 15.042 11.574 14.753 1.00 0.00 C ATOM 23 CG1 VAL A 2 14.575 12.913 15.308 1.00 0.00 C ATOM 24 CG2 VAL A 2 14.615 10.435 15.664 1.00 0.00 C ATOM 0 H VAL A 2 15.645 13.048 12.793 1.00 0.00 H new ATOM 0 HA VAL A 2 14.795 10.337 13.011 1.00 0.00 H new ATOM 0 HB VAL A 2 16.131 11.591 14.715 1.00 0.00 H new ATOM 0 HG11 VAL A 2 14.955 13.039 16.322 1.00 0.00 H new ATOM 0 HG12 VAL A 2 14.950 13.719 14.677 1.00 0.00 H new ATOM 0 HG13 VAL A 2 13.485 12.941 15.323 1.00 0.00 H new ATOM 0 HG21 VAL A 2 14.990 10.615 16.672 1.00 0.00 H new ATOM 0 HG22 VAL A 2 13.527 10.376 15.687 1.00 0.00 H new ATOM 0 HG23 VAL A 2 15.022 9.496 15.288 1.00 0.00 H new ATOM 34 N SER A 3 12.559 12.584 12.707 1.00 0.00 N ATOM 35 CA SER A 3 11.141 12.832 12.532 1.00 0.00 C ATOM 36 C SER A 3 10.753 12.592 11.077 1.00 0.00 C ATOM 37 O SER A 3 10.958 13.453 10.219 1.00 0.00 O ATOM 38 CB SER A 3 10.789 14.265 12.946 1.00 0.00 C ATOM 39 OG SER A 3 11.238 14.552 14.265 1.00 0.00 O ATOM 0 H SER A 3 13.161 13.331 12.361 1.00 0.00 H new ATOM 0 HA SER A 3 10.583 12.146 13.169 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.240 14.968 12.246 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.710 14.407 12.889 1.00 0.00 H new ATOM 0 HG SER A 3 11.000 15.474 14.498 1.00 0.00 H new ATOM 45 N THR A 4 10.238 11.403 10.798 1.00 0.00 N ATOM 46 CA THR A 4 9.797 11.054 9.456 1.00 0.00 C ATOM 47 C THR A 4 8.355 10.560 9.484 1.00 0.00 C ATOM 48 O THR A 4 7.910 9.816 8.606 1.00 0.00 O ATOM 49 CB THR A 4 10.709 9.979 8.836 1.00 0.00 C ATOM 50 OG1 THR A 4 10.910 8.906 9.766 1.00 0.00 O ATOM 51 CG2 THR A 4 12.052 10.573 8.445 1.00 0.00 C ATOM 0 H THR A 4 10.115 10.661 11.487 1.00 0.00 H new ATOM 0 HA THR A 4 9.855 11.951 8.839 1.00 0.00 H new ATOM 0 HB THR A 4 10.222 9.594 7.940 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.490 8.227 9.362 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.680 9.796 8.009 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.900 11.368 7.715 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.541 10.981 9.330 1.00 0.00 H new ATOM 59 N LEU A 5 7.630 11.005 10.498 1.00 0.00 N ATOM 60 CA LEU A 5 6.245 10.614 10.698 1.00 0.00 C ATOM 61 C LEU A 5 5.334 11.393 9.763 1.00 0.00 C ATOM 62 O LEU A 5 5.700 12.468 9.285 1.00 0.00 O ATOM 63 CB LEU A 5 5.845 10.881 12.149 1.00 0.00 C ATOM 64 CG LEU A 5 6.762 10.245 13.186 1.00 0.00 C ATOM 65 CD1 LEU A 5 6.584 10.923 14.530 1.00 0.00 C ATOM 66 CD2 LEU A 5 6.478 8.755 13.296 1.00 0.00 C ATOM 0 H LEU A 5 7.986 11.648 11.205 1.00 0.00 H new ATOM 0 HA LEU A 5 6.142 9.551 10.480 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.823 11.958 12.314 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.831 10.514 12.306 1.00 0.00 H new ATOM 0 HG LEU A 5 7.796 10.376 12.868 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.245 10.459 15.262 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.829 11.981 14.439 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.550 10.817 14.857 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.140 8.312 14.040 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.441 8.603 13.596 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.649 8.280 12.330 1.00 0.00 H new ATOM 78 N PRO A 6 4.136 10.867 9.483 1.00 0.00 N ATOM 79 CA PRO A 6 3.155 11.574 8.670 1.00 0.00 C ATOM 80 C PRO A 6 2.550 12.739 9.444 1.00 0.00 C ATOM 81 O PRO A 6 2.558 12.742 10.678 1.00 0.00 O ATOM 82 CB PRO A 6 2.098 10.504 8.390 1.00 0.00 C ATOM 83 CG PRO A 6 2.172 9.611 9.574 1.00 0.00 C ATOM 84 CD PRO A 6 3.629 9.559 9.946 1.00 0.00 C ATOM 0 HA PRO A 6 3.581 12.005 7.764 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.106 10.942 8.281 1.00 0.00 H new ATOM 0 HB3 PRO A 6 2.311 9.963 7.468 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.570 9.998 10.396 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.791 8.617 9.341 1.00 0.00 H new ATOM 0 HD2 PRO A 6 3.767 9.429 11.019 1.00 0.00 H new ATOM 0 HD3 PRO A 6 4.141 8.731 9.456 1.00 0.00 H new ATOM 92 N PRO A 7 2.036 13.750 8.740 1.00 0.00 N ATOM 93 CA PRO A 7 1.390 14.893 9.375 1.00 0.00 C ATOM 94 C PRO A 7 0.078 14.502 10.051 1.00 0.00 C ATOM 95 O PRO A 7 -0.305 13.331 10.083 1.00 0.00 O ATOM 96 CB PRO A 7 1.116 15.863 8.215 1.00 0.00 C ATOM 97 CG PRO A 7 1.911 15.347 7.063 1.00 0.00 C ATOM 98 CD PRO A 7 2.045 13.866 7.279 1.00 0.00 C ATOM 0 HA PRO A 7 2.014 15.322 10.159 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.053 15.896 7.974 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.416 16.878 8.474 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.411 15.559 6.118 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.890 15.825 7.020 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.222 13.315 6.824 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.967 13.476 6.848 1.00 0.00 H new ATOM 106 N CYS A 8 -0.616 15.490 10.568 1.00 0.00 N ATOM 107 CA CYS A 8 -1.900 15.266 11.196 1.00 0.00 C ATOM 108 C CYS A 8 -3.000 15.576 10.199 1.00 0.00 C ATOM 109 O CYS A 8 -3.056 16.681 9.674 1.00 0.00 O ATOM 110 CB CYS A 8 -2.031 16.155 12.440 1.00 0.00 C ATOM 111 SG CYS A 8 -3.730 16.335 13.086 1.00 0.00 S ATOM 0 H CYS A 8 -0.311 16.463 10.566 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.985 14.225 11.507 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -1.400 15.745 13.229 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.642 17.145 12.203 1.00 0.00 H new ATOM 116 N PRO A 9 -3.891 14.607 9.917 1.00 0.00 N ATOM 117 CA PRO A 9 -4.997 14.795 8.961 1.00 0.00 C ATOM 118 C PRO A 9 -6.039 15.781 9.482 1.00 0.00 C ATOM 119 O PRO A 9 -7.130 15.915 8.928 1.00 0.00 O ATOM 120 CB PRO A 9 -5.600 13.394 8.836 1.00 0.00 C ATOM 121 CG PRO A 9 -5.247 12.719 10.114 1.00 0.00 C ATOM 122 CD PRO A 9 -3.896 13.251 10.497 1.00 0.00 C ATOM 0 HA PRO A 9 -4.656 15.210 8.012 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.680 13.438 8.696 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.189 12.860 7.979 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.985 12.934 10.887 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -5.220 11.636 9.990 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.765 13.275 11.579 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.092 12.637 10.092 1.00 0.00 H new ATOM 130 N GLN A 10 -5.684 16.460 10.559 1.00 0.00 N ATOM 131 CA GLN A 10 -6.545 17.443 11.173 1.00 0.00 C ATOM 132 C GLN A 10 -5.877 18.813 11.151 1.00 0.00 C ATOM 133 O GLN A 10 -6.537 19.813 10.869 1.00 0.00 O ATOM 134 CB GLN A 10 -6.886 17.023 12.603 1.00 0.00 C ATOM 135 CG GLN A 10 -7.437 15.610 12.676 1.00 0.00 C ATOM 136 CD GLN A 10 -7.539 15.081 14.090 1.00 0.00 C ATOM 137 OE1 GLN A 10 -8.571 15.211 14.747 1.00 0.00 O ATOM 138 NE2 GLN A 10 -6.458 14.488 14.569 1.00 0.00 N ATOM 0 H GLN A 10 -4.787 16.341 11.030 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.474 17.508 10.606 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.992 17.094 13.222 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -7.617 17.717 13.018 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -8.424 15.588 12.215 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.798 14.947 12.093 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.624 14.402 13.988 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.459 14.116 15.519 1.00 0.00 H new ATOM 147 N CYS A 11 -4.563 18.880 11.414 1.00 0.00 N ATOM 148 CA CYS A 11 -3.839 20.151 11.403 1.00 0.00 C ATOM 149 C CYS A 11 -2.909 20.221 10.189 1.00 0.00 C ATOM 150 O CYS A 11 -2.908 21.199 9.443 1.00 0.00 O ATOM 151 CB CYS A 11 -2.962 20.267 12.656 1.00 0.00 C ATOM 152 SG CYS A 11 -3.818 20.004 14.240 1.00 0.00 S ATOM 0 H CYS A 11 -3.985 18.069 11.636 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.575 20.955 11.369 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.150 19.544 12.578 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.507 21.257 12.669 1.00 0.00 H new ATOM 157 N ASN A 12 -2.106 19.155 10.033 1.00 0.00 N ATOM 158 CA ASN A 12 -1.086 19.031 8.977 1.00 0.00 C ATOM 159 C ASN A 12 0.101 19.972 9.216 1.00 0.00 C ATOM 160 O ASN A 12 1.031 20.027 8.415 1.00 0.00 O ATOM 161 CB ASN A 12 -1.699 19.280 7.593 1.00 0.00 C ATOM 162 CG ASN A 12 -0.958 18.553 6.483 1.00 0.00 C ATOM 163 OD1 ASN A 12 -1.269 17.402 6.174 1.00 0.00 O ATOM 164 ND2 ASN A 12 0.018 19.209 5.875 1.00 0.00 N ATOM 0 H ASN A 12 -2.148 18.342 10.647 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.708 18.009 9.012 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -2.741 18.960 7.599 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.696 20.350 7.386 1.00 0.00 H new ATOM 0 HD21 ASN A 12 0.541 18.762 5.122 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.246 20.162 6.159 1.00 0.00 H new ATOM 171 N SER A 13 0.056 20.702 10.324 1.00 0.00 N ATOM 172 CA SER A 13 1.100 21.669 10.659 1.00 0.00 C ATOM 173 C SER A 13 2.485 21.015 10.772 1.00 0.00 C ATOM 174 O SER A 13 3.274 21.087 9.828 1.00 0.00 O ATOM 175 CB SER A 13 0.740 22.380 11.959 1.00 0.00 C ATOM 176 OG SER A 13 -0.623 22.769 11.956 1.00 0.00 O ATOM 0 H SER A 13 -0.696 20.644 11.011 1.00 0.00 H new ATOM 0 HA SER A 13 1.156 22.393 9.846 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.933 21.721 12.805 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.374 23.258 12.087 1.00 0.00 H new ATOM 0 HG SER A 13 -0.897 23.009 12.866 1.00 0.00 H new ATOM 182 N GLU A 14 2.767 20.343 11.896 1.00 0.00 N ATOM 183 CA GLU A 14 4.080 19.705 12.096 1.00 0.00 C ATOM 184 C GLU A 14 4.235 19.080 13.487 1.00 0.00 C ATOM 185 O GLU A 14 5.109 18.236 13.689 1.00 0.00 O ATOM 186 CB GLU A 14 5.223 20.713 11.896 1.00 0.00 C ATOM 187 CG GLU A 14 5.272 21.815 12.946 1.00 0.00 C ATOM 188 CD GLU A 14 6.502 22.689 12.813 1.00 0.00 C ATOM 189 OE1 GLU A 14 7.618 22.196 13.091 1.00 0.00 O ATOM 190 OE2 GLU A 14 6.362 23.873 12.439 1.00 0.00 O ATOM 0 H GLU A 14 2.116 20.226 12.672 1.00 0.00 H new ATOM 0 HA GLU A 14 4.134 18.913 11.349 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.172 20.176 11.904 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.123 21.169 10.911 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.379 22.434 12.860 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.254 21.367 13.939 1.00 0.00 H new ATOM 197 N TYR A 15 3.395 19.477 14.440 1.00 0.00 N ATOM 198 CA TYR A 15 3.601 19.110 15.843 1.00 0.00 C ATOM 199 C TYR A 15 3.144 17.687 16.137 1.00 0.00 C ATOM 200 O TYR A 15 2.740 17.366 17.251 1.00 0.00 O ATOM 201 CB TYR A 15 2.882 20.105 16.753 1.00 0.00 C ATOM 202 CG TYR A 15 3.421 21.511 16.630 1.00 0.00 C ATOM 203 CD1 TYR A 15 4.682 21.834 17.117 1.00 0.00 C ATOM 204 CD2 TYR A 15 2.680 22.511 16.015 1.00 0.00 C ATOM 205 CE1 TYR A 15 5.186 23.114 16.996 1.00 0.00 C ATOM 206 CE2 TYR A 15 3.179 23.792 15.887 1.00 0.00 C ATOM 207 CZ TYR A 15 4.432 24.088 16.381 1.00 0.00 C ATOM 208 OH TYR A 15 4.937 25.362 16.249 1.00 0.00 O ATOM 0 H TYR A 15 2.569 20.050 14.270 1.00 0.00 H new ATOM 0 HA TYR A 15 4.672 19.148 16.042 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.819 20.107 16.513 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.974 19.775 17.788 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.277 21.072 17.598 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.697 22.283 15.630 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.167 23.350 17.382 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.591 24.558 15.403 1.00 0.00 H new ATOM 0 HH TYR A 15 4.281 25.928 15.792 1.00 0.00 H new ATOM 218 N THR A 16 3.253 16.832 15.143 1.00 0.00 N ATOM 219 CA THR A 16 2.884 15.443 15.281 1.00 0.00 C ATOM 220 C THR A 16 4.117 14.612 15.648 1.00 0.00 C ATOM 221 O THR A 16 5.187 14.796 15.064 1.00 0.00 O ATOM 222 CB THR A 16 2.271 14.939 13.965 1.00 0.00 C ATOM 223 OG1 THR A 16 1.446 15.972 13.404 1.00 0.00 O ATOM 224 CG2 THR A 16 1.429 13.702 14.197 1.00 0.00 C ATOM 0 H THR A 16 3.600 17.082 14.217 1.00 0.00 H new ATOM 0 HA THR A 16 2.145 15.341 16.076 1.00 0.00 H new ATOM 0 HB THR A 16 3.080 14.684 13.281 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.054 15.657 12.563 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.007 13.366 13.250 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.051 12.912 14.618 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.622 13.936 14.891 1.00 0.00 H new ATOM 232 N TYR A 17 3.966 13.699 16.601 1.00 0.00 N ATOM 233 CA TYR A 17 5.093 12.928 17.109 1.00 0.00 C ATOM 234 C TYR A 17 4.652 11.487 17.306 1.00 0.00 C ATOM 235 O TYR A 17 3.468 11.196 17.198 1.00 0.00 O ATOM 236 CB TYR A 17 5.623 13.528 18.425 1.00 0.00 C ATOM 237 CG TYR A 17 4.785 13.231 19.658 1.00 0.00 C ATOM 238 CD1 TYR A 17 3.712 14.041 20.029 1.00 0.00 C ATOM 239 CD2 TYR A 17 5.088 12.141 20.466 1.00 0.00 C ATOM 240 CE1 TYR A 17 2.972 13.766 21.164 1.00 0.00 C ATOM 241 CE2 TYR A 17 4.350 11.860 21.597 1.00 0.00 C ATOM 242 CZ TYR A 17 3.295 12.675 21.942 1.00 0.00 C ATOM 243 OH TYR A 17 2.567 12.405 23.076 1.00 0.00 O ATOM 0 H TYR A 17 3.072 13.475 17.038 1.00 0.00 H new ATOM 0 HA TYR A 17 5.910 12.961 16.388 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.633 13.155 18.594 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.697 14.609 18.308 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.455 14.896 19.421 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.918 11.502 20.203 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.145 14.403 21.440 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.598 11.005 22.209 1.00 0.00 H new ATOM 0 HH TYR A 17 2.923 11.601 23.510 1.00 0.00 H new ATOM 253 N GLU A 18 5.579 10.580 17.567 1.00 0.00 N ATOM 254 CA GLU A 18 5.221 9.184 17.754 1.00 0.00 C ATOM 255 C GLU A 18 5.329 8.779 19.218 1.00 0.00 C ATOM 256 O GLU A 18 6.383 8.916 19.840 1.00 0.00 O ATOM 257 CB GLU A 18 6.113 8.288 16.887 1.00 0.00 C ATOM 258 CG GLU A 18 7.602 8.485 17.133 1.00 0.00 C ATOM 259 CD GLU A 18 8.473 7.650 16.219 1.00 0.00 C ATOM 260 OE1 GLU A 18 8.502 6.410 16.383 1.00 0.00 O ATOM 261 OE2 GLU A 18 9.156 8.231 15.349 1.00 0.00 O ATOM 0 H GLU A 18 6.575 10.782 17.654 1.00 0.00 H new ATOM 0 HA GLU A 18 4.183 9.057 17.446 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.858 7.245 17.075 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.898 8.484 15.837 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.850 9.538 16.998 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.829 8.234 18.169 1.00 0.00 H new ATOM 268 N ASP A 19 4.227 8.306 19.774 1.00 0.00 N ATOM 269 CA ASP A 19 4.230 7.735 21.103 1.00 0.00 C ATOM 270 C ASP A 19 3.975 6.236 21.002 1.00 0.00 C ATOM 271 O ASP A 19 2.883 5.754 21.305 1.00 0.00 O ATOM 272 CB ASP A 19 3.163 8.394 21.982 1.00 0.00 C ATOM 273 CG ASP A 19 3.279 7.994 23.439 1.00 0.00 C ATOM 274 OD1 ASP A 19 2.690 6.965 23.837 1.00 0.00 O ATOM 275 OD2 ASP A 19 3.957 8.714 24.201 1.00 0.00 O ATOM 0 H ASP A 19 3.314 8.308 19.319 1.00 0.00 H new ATOM 0 HA ASP A 19 5.202 7.913 21.564 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.248 9.478 21.899 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.174 8.122 21.612 1.00 0.00 H new ATOM 280 N GLY A 20 4.965 5.508 20.512 1.00 0.00 N ATOM 281 CA GLY A 20 4.833 4.072 20.389 1.00 0.00 C ATOM 282 C GLY A 20 4.455 3.619 18.989 1.00 0.00 C ATOM 283 O GLY A 20 5.266 3.690 18.064 1.00 0.00 O ATOM 0 H GLY A 20 5.859 5.886 20.197 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.775 3.602 20.673 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.077 3.722 21.093 1.00 0.00 H new ATOM 287 N ALA A 21 3.214 3.172 18.835 1.00 0.00 N ATOM 288 CA ALA A 21 2.765 2.536 17.600 1.00 0.00 C ATOM 289 C ALA A 21 1.783 3.411 16.828 1.00 0.00 C ATOM 290 O ALA A 21 1.048 2.928 15.964 1.00 0.00 O ATOM 291 CB ALA A 21 2.128 1.194 17.920 1.00 0.00 C ATOM 0 H ALA A 21 2.495 3.239 19.556 1.00 0.00 H new ATOM 0 HA ALA A 21 3.638 2.390 16.964 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.793 0.721 16.997 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.859 0.553 18.412 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.274 1.345 18.581 1.00 0.00 H new ATOM 297 N LEU A 22 1.781 4.695 17.124 1.00 0.00 N ATOM 298 CA LEU A 22 0.892 5.621 16.446 1.00 0.00 C ATOM 299 C LEU A 22 1.464 7.027 16.495 1.00 0.00 C ATOM 300 O LEU A 22 2.550 7.237 17.022 1.00 0.00 O ATOM 301 CB LEU A 22 -0.506 5.605 17.074 1.00 0.00 C ATOM 302 CG LEU A 22 -0.653 6.352 18.404 1.00 0.00 C ATOM 303 CD1 LEU A 22 -2.121 6.533 18.731 1.00 0.00 C ATOM 304 CD2 LEU A 22 0.045 5.612 19.534 1.00 0.00 C ATOM 0 H LEU A 22 2.383 5.122 17.828 1.00 0.00 H new ATOM 0 HA LEU A 22 0.804 5.304 15.407 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.209 6.034 16.360 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.802 4.567 17.228 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.180 7.328 18.300 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.220 7.065 19.677 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.602 7.108 17.940 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.599 5.557 18.811 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.078 6.168 20.464 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.393 4.620 19.644 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.107 5.517 19.306 1.00 0.00 H new ATOM 316 N LEU A 23 0.743 7.977 15.920 1.00 0.00 N ATOM 317 CA LEU A 23 1.108 9.379 16.010 1.00 0.00 C ATOM 318 C LEU A 23 0.108 10.094 16.913 1.00 0.00 C ATOM 319 O LEU A 23 -1.102 9.907 16.790 1.00 0.00 O ATOM 320 CB LEU A 23 1.127 10.078 14.633 1.00 0.00 C ATOM 321 CG LEU A 23 1.579 9.250 13.419 1.00 0.00 C ATOM 322 CD1 LEU A 23 2.802 8.397 13.722 1.00 0.00 C ATOM 323 CD2 LEU A 23 0.432 8.421 12.895 1.00 0.00 C ATOM 0 H LEU A 23 -0.105 7.798 15.382 1.00 0.00 H new ATOM 0 HA LEU A 23 2.118 9.429 16.418 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.122 10.449 14.431 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.779 10.948 14.707 1.00 0.00 H new ATOM 0 HG LEU A 23 1.884 9.946 12.638 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.081 7.832 12.833 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.630 9.041 14.017 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.572 7.706 14.533 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.766 7.840 12.036 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.084 7.746 13.677 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.384 9.078 12.594 1.00 0.00 H new ATOM 335 N VAL A 24 0.614 10.902 17.818 1.00 0.00 N ATOM 336 CA VAL A 24 -0.212 11.664 18.726 1.00 0.00 C ATOM 337 C VAL A 24 -0.028 13.138 18.434 1.00 0.00 C ATOM 338 O VAL A 24 1.098 13.616 18.391 1.00 0.00 O ATOM 339 CB VAL A 24 0.185 11.404 20.189 1.00 0.00 C ATOM 340 CG1 VAL A 24 -0.719 12.175 21.134 1.00 0.00 C ATOM 341 CG2 VAL A 24 0.164 9.917 20.492 1.00 0.00 C ATOM 0 H VAL A 24 1.615 11.049 17.945 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.250 11.362 18.584 1.00 0.00 H new ATOM 0 HB VAL A 24 1.204 11.760 20.341 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.422 11.978 22.164 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.633 13.242 20.930 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.752 11.859 20.988 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.448 9.753 21.532 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.839 9.526 20.324 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.869 9.403 19.838 1.00 0.00 H new ATOM 351 N CYS A 25 -1.104 13.862 18.220 1.00 0.00 N ATOM 352 CA CYS A 25 -0.993 15.274 17.928 1.00 0.00 C ATOM 353 C CYS A 25 -1.374 16.084 19.157 1.00 0.00 C ATOM 354 O CYS A 25 -2.556 16.209 19.486 1.00 0.00 O ATOM 355 CB CYS A 25 -1.902 15.625 16.750 1.00 0.00 C ATOM 356 SG CYS A 25 -1.759 17.335 16.128 1.00 0.00 S ATOM 0 H CYS A 25 -2.058 13.501 18.242 1.00 0.00 H new ATOM 0 HA CYS A 25 0.036 15.513 17.660 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -1.686 14.940 15.930 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -2.936 15.450 17.047 1.00 0.00 H new ATOM 361 N PRO A 26 -0.373 16.640 19.860 1.00 0.00 N ATOM 362 CA PRO A 26 -0.608 17.496 21.018 1.00 0.00 C ATOM 363 C PRO A 26 -1.172 18.840 20.579 1.00 0.00 C ATOM 364 O PRO A 26 -1.600 19.657 21.394 1.00 0.00 O ATOM 365 CB PRO A 26 0.781 17.667 21.635 1.00 0.00 C ATOM 366 CG PRO A 26 1.725 17.458 20.506 1.00 0.00 C ATOM 367 CD PRO A 26 1.062 16.480 19.575 1.00 0.00 C ATOM 0 HA PRO A 26 -1.329 17.075 21.718 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.900 18.658 22.072 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.952 16.944 22.433 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.935 18.398 19.996 1.00 0.00 H new ATOM 0 HG3 PRO A 26 2.678 17.069 20.864 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.290 16.703 18.533 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.396 15.460 19.763 1.00 0.00 H new ATOM 375 N GLU A 27 -1.163 19.040 19.267 1.00 0.00 N ATOM 376 CA GLU A 27 -1.655 20.256 18.659 1.00 0.00 C ATOM 377 C GLU A 27 -3.174 20.338 18.808 1.00 0.00 C ATOM 378 O GLU A 27 -3.684 21.249 19.463 1.00 0.00 O ATOM 379 CB GLU A 27 -1.248 20.290 17.185 1.00 0.00 C ATOM 380 CG GLU A 27 -1.122 21.683 16.600 1.00 0.00 C ATOM 381 CD GLU A 27 -0.757 21.658 15.128 1.00 0.00 C ATOM 382 OE1 GLU A 27 0.194 20.931 14.749 1.00 0.00 O ATOM 383 OE2 GLU A 27 -1.417 22.368 14.342 1.00 0.00 O ATOM 0 H GLU A 27 -0.811 18.356 18.597 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.218 21.119 19.162 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.294 19.775 17.072 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.983 19.731 16.605 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.064 22.216 16.729 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.363 22.239 17.151 1.00 0.00 H new ATOM 390 N CYS A 28 -3.908 19.389 18.217 1.00 0.00 N ATOM 391 CA CYS A 28 -5.365 19.387 18.330 1.00 0.00 C ATOM 392 C CYS A 28 -5.870 18.430 19.407 1.00 0.00 C ATOM 393 O CYS A 28 -7.081 18.200 19.496 1.00 0.00 O ATOM 394 CB CYS A 28 -6.016 19.018 16.990 1.00 0.00 C ATOM 395 SG CYS A 28 -5.501 17.400 16.307 1.00 0.00 S ATOM 0 H CYS A 28 -3.522 18.624 17.664 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.648 20.400 18.617 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.099 19.015 17.117 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -5.782 19.795 16.262 1.00 0.00 H new ATOM 400 N ALA A 29 -4.967 17.878 20.229 1.00 0.00 N ATOM 401 CA ALA A 29 -5.356 16.974 21.314 1.00 0.00 C ATOM 402 C ALA A 29 -6.087 15.741 20.789 1.00 0.00 C ATOM 403 O ALA A 29 -7.117 15.336 21.331 1.00 0.00 O ATOM 404 CB ALA A 29 -6.208 17.713 22.342 1.00 0.00 C ATOM 0 H ALA A 29 -3.963 18.043 20.161 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.444 16.627 21.800 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.489 17.028 23.142 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.637 18.543 22.759 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.107 18.097 21.861 1.00 0.00 H new ATOM 410 N HIS A 30 -5.546 15.135 19.741 1.00 0.00 N ATOM 411 CA HIS A 30 -6.155 13.950 19.156 1.00 0.00 C ATOM 412 C HIS A 30 -5.079 13.067 18.527 1.00 0.00 C ATOM 413 O HIS A 30 -4.193 13.565 17.830 1.00 0.00 O ATOM 414 CB HIS A 30 -7.185 14.365 18.104 1.00 0.00 C ATOM 415 CG HIS A 30 -8.328 13.407 17.958 1.00 0.00 C ATOM 416 ND1 HIS A 30 -8.462 12.539 16.899 1.00 0.00 N ATOM 417 CD2 HIS A 30 -9.410 13.205 18.744 1.00 0.00 C ATOM 418 CE1 HIS A 30 -9.577 11.849 17.039 1.00 0.00 C ATOM 419 NE2 HIS A 30 -10.172 12.232 18.150 1.00 0.00 N ATOM 0 H HIS A 30 -4.690 15.443 19.280 1.00 0.00 H new ATOM 0 HA HIS A 30 -6.659 13.381 19.938 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -7.579 15.347 18.364 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -6.685 14.467 17.141 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -9.633 13.716 19.669 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.942 11.096 16.357 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -11.054 11.865 18.509 1.00 0.00 H new ATOM 428 N GLU A 31 -5.152 11.766 18.773 1.00 0.00 N ATOM 429 CA GLU A 31 -4.151 10.834 18.265 1.00 0.00 C ATOM 430 C GLU A 31 -4.767 9.874 17.248 1.00 0.00 C ATOM 431 O GLU A 31 -5.991 9.747 17.162 1.00 0.00 O ATOM 432 CB GLU A 31 -3.509 10.058 19.418 1.00 0.00 C ATOM 433 CG GLU A 31 -4.509 9.369 20.333 1.00 0.00 C ATOM 434 CD GLU A 31 -3.844 8.683 21.510 1.00 0.00 C ATOM 435 OE1 GLU A 31 -3.449 9.382 22.469 1.00 0.00 O ATOM 436 OE2 GLU A 31 -3.719 7.443 21.485 1.00 0.00 O ATOM 0 H GLU A 31 -5.894 11.331 19.321 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.375 11.409 17.760 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.833 9.309 19.006 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.903 10.743 20.010 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.225 10.104 20.702 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.074 8.634 19.760 1.00 0.00 H new ATOM 443 N TRP A 32 -3.913 9.215 16.474 1.00 0.00 N ATOM 444 CA TRP A 32 -4.355 8.292 15.430 1.00 0.00 C ATOM 445 C TRP A 32 -3.191 7.402 15.018 1.00 0.00 C ATOM 446 O TRP A 32 -2.049 7.711 15.312 1.00 0.00 O ATOM 447 CB TRP A 32 -4.881 9.058 14.206 1.00 0.00 C ATOM 448 CG TRP A 32 -3.799 9.591 13.310 1.00 0.00 C ATOM 449 CD1 TRP A 32 -2.685 10.276 13.691 1.00 0.00 C ATOM 450 CD2 TRP A 32 -3.736 9.488 11.883 1.00 0.00 C ATOM 451 NE1 TRP A 32 -1.921 10.588 12.594 1.00 0.00 N ATOM 452 CE2 TRP A 32 -2.549 10.122 11.471 1.00 0.00 C ATOM 453 CE3 TRP A 32 -4.567 8.920 10.914 1.00 0.00 C ATOM 454 CZ2 TRP A 32 -2.170 10.199 10.133 1.00 0.00 C ATOM 455 CZ3 TRP A 32 -4.192 9.000 9.586 1.00 0.00 C ATOM 456 CH2 TRP A 32 -3.003 9.636 9.206 1.00 0.00 C ATOM 0 H TRP A 32 -2.900 9.303 16.550 1.00 0.00 H new ATOM 0 HA TRP A 32 -5.167 7.681 15.825 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -5.527 8.398 13.627 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.498 9.889 14.547 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.438 10.536 14.710 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.031 11.086 12.613 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -5.485 8.428 11.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.252 10.686 9.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -4.827 8.565 8.828 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -2.739 9.683 8.160 1.00 0.00 H new ATOM 467 N SER A 33 -3.477 6.301 14.361 1.00 0.00 N ATOM 468 CA SER A 33 -2.424 5.435 13.850 1.00 0.00 C ATOM 469 C SER A 33 -2.429 5.480 12.324 1.00 0.00 C ATOM 470 O SER A 33 -3.497 5.493 11.715 1.00 0.00 O ATOM 471 CB SER A 33 -2.612 4.001 14.355 1.00 0.00 C ATOM 472 OG SER A 33 -1.544 3.164 13.942 1.00 0.00 O ATOM 0 H SER A 33 -4.425 5.980 14.165 1.00 0.00 H new ATOM 0 HA SER A 33 -1.459 5.789 14.212 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.676 4.002 15.443 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.555 3.602 13.981 1.00 0.00 H new ATOM 0 HG SER A 33 -0.823 3.202 14.605 1.00 0.00 H new ATOM 478 N PRO A 34 -1.242 5.506 11.683 1.00 0.00 N ATOM 479 CA PRO A 34 -1.136 5.697 10.233 1.00 0.00 C ATOM 480 C PRO A 34 -1.894 4.633 9.449 1.00 0.00 C ATOM 481 O PRO A 34 -2.676 4.946 8.553 1.00 0.00 O ATOM 482 CB PRO A 34 0.373 5.604 9.960 1.00 0.00 C ATOM 483 CG PRO A 34 0.941 4.914 11.151 1.00 0.00 C ATOM 484 CD PRO A 34 0.084 5.339 12.304 1.00 0.00 C ATOM 0 HA PRO A 34 -1.575 6.643 9.917 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.575 5.044 9.047 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.812 6.593 9.831 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.921 3.832 11.025 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.982 5.197 11.310 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.069 4.589 13.094 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.440 6.267 12.752 1.00 0.00 H new ATOM 492 N ASN A 35 -1.675 3.378 9.802 1.00 0.00 N ATOM 493 CA ASN A 35 -2.311 2.273 9.101 1.00 0.00 C ATOM 494 C ASN A 35 -3.503 1.728 9.882 1.00 0.00 C ATOM 495 O ASN A 35 -4.531 1.396 9.294 1.00 0.00 O ATOM 496 CB ASN A 35 -1.296 1.156 8.826 1.00 0.00 C ATOM 497 CG ASN A 35 -0.642 0.618 10.085 1.00 0.00 C ATOM 498 OD1 ASN A 35 0.359 1.158 10.557 1.00 0.00 O ATOM 499 ND2 ASN A 35 -1.191 -0.456 10.631 1.00 0.00 N ATOM 0 H ASN A 35 -1.063 3.098 10.568 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.682 2.654 8.149 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.797 0.339 8.307 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.523 1.533 8.156 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.785 -0.865 11.473 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.020 -0.875 10.210 1.00 0.00 H new ATOM 506 N GLU A 36 -3.379 1.677 11.208 1.00 0.00 N ATOM 507 CA GLU A 36 -4.400 1.057 12.052 1.00 0.00 C ATOM 508 C GLU A 36 -5.696 1.861 12.080 1.00 0.00 C ATOM 509 O GLU A 36 -6.719 1.374 12.552 1.00 0.00 O ATOM 510 CB GLU A 36 -3.876 0.847 13.471 1.00 0.00 C ATOM 511 CG GLU A 36 -2.819 -0.241 13.571 1.00 0.00 C ATOM 512 CD GLU A 36 -3.355 -1.611 13.202 1.00 0.00 C ATOM 513 OE1 GLU A 36 -3.301 -1.978 12.008 1.00 0.00 O ATOM 514 OE2 GLU A 36 -3.829 -2.329 14.105 1.00 0.00 O ATOM 0 H GLU A 36 -2.583 2.057 11.720 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.628 0.087 11.610 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.458 1.784 13.838 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.711 0.593 14.124 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.984 0.007 12.915 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.428 -0.270 14.588 1.00 0.00 H new ATOM 521 N ALA A 37 -5.658 3.088 11.578 1.00 0.00 N ATOM 522 CA ALA A 37 -6.873 3.878 11.449 1.00 0.00 C ATOM 523 C ALA A 37 -7.769 3.282 10.368 1.00 0.00 C ATOM 524 O ALA A 37 -8.995 3.323 10.465 1.00 0.00 O ATOM 525 CB ALA A 37 -6.548 5.329 11.127 1.00 0.00 C ATOM 0 H ALA A 37 -4.809 3.553 11.257 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.402 3.855 12.402 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.473 5.898 11.036 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.940 5.752 11.927 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.998 5.379 10.187 1.00 0.00 H new ATOM 531 N ALA A 38 -7.140 2.740 9.333 1.00 0.00 N ATOM 532 CA ALA A 38 -7.857 2.105 8.237 1.00 0.00 C ATOM 533 C ALA A 38 -8.157 0.640 8.545 1.00 0.00 C ATOM 534 O ALA A 38 -9.273 0.166 8.338 1.00 0.00 O ATOM 535 CB ALA A 38 -7.057 2.224 6.949 1.00 0.00 C ATOM 0 H ALA A 38 -6.125 2.728 9.230 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.809 2.620 8.112 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.603 1.745 6.136 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.903 3.277 6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.091 1.735 7.074 1.00 0.00 H new ATOM 541 N THR A 39 -7.153 -0.070 9.048 1.00 0.00 N ATOM 542 CA THR A 39 -7.263 -1.504 9.284 1.00 0.00 C ATOM 543 C THR A 39 -8.088 -1.827 10.529 1.00 0.00 C ATOM 544 O THR A 39 -8.830 -2.813 10.541 1.00 0.00 O ATOM 545 CB THR A 39 -5.867 -2.138 9.417 1.00 0.00 C ATOM 546 OG1 THR A 39 -5.010 -1.259 10.154 1.00 0.00 O ATOM 547 CG2 THR A 39 -5.265 -2.416 8.049 1.00 0.00 C ATOM 0 H THR A 39 -6.249 0.328 9.301 1.00 0.00 H new ATOM 0 HA THR A 39 -7.780 -1.925 8.421 1.00 0.00 H new ATOM 0 HB THR A 39 -5.965 -3.085 9.947 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.484 -1.778 10.797 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.279 -2.864 8.170 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.910 -3.102 7.500 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.174 -1.482 7.495 1.00 0.00 H new ATOM 555 N ALA A 40 -7.959 -0.980 11.556 1.00 0.00 N ATOM 556 CA ALA A 40 -8.618 -1.178 12.851 1.00 0.00 C ATOM 557 C ALA A 40 -7.997 -2.351 13.608 1.00 0.00 C ATOM 558 O ALA A 40 -8.113 -3.510 13.197 1.00 0.00 O ATOM 559 CB ALA A 40 -10.124 -1.363 12.695 1.00 0.00 C ATOM 0 H ALA A 40 -7.392 -0.134 11.512 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.460 -0.274 13.439 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.576 -1.507 13.676 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.552 -0.478 12.224 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.321 -2.236 12.073 1.00 0.00 H new ATOM 565 N SER A 41 -7.325 -2.035 14.708 1.00 0.00 N ATOM 566 CA SER A 41 -6.648 -3.035 15.521 1.00 0.00 C ATOM 567 C SER A 41 -7.630 -4.069 16.067 1.00 0.00 C ATOM 568 O SER A 41 -8.476 -3.757 16.905 1.00 0.00 O ATOM 569 CB SER A 41 -5.916 -2.345 16.671 1.00 0.00 C ATOM 570 OG SER A 41 -5.066 -1.320 16.182 1.00 0.00 O ATOM 0 H SER A 41 -7.235 -1.082 15.060 1.00 0.00 H new ATOM 0 HA SER A 41 -5.930 -3.561 14.892 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.640 -1.922 17.368 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.329 -3.077 17.226 1.00 0.00 H new ATOM 0 HG SER A 41 -4.552 -1.658 15.419 1.00 0.00 H new ATOM 576 N ASP A 42 -7.514 -5.292 15.574 1.00 0.00 N ATOM 577 CA ASP A 42 -8.365 -6.393 16.006 1.00 0.00 C ATOM 578 C ASP A 42 -7.565 -7.693 15.900 1.00 0.00 C ATOM 579 O ASP A 42 -6.332 -7.660 15.965 1.00 0.00 O ATOM 580 CB ASP A 42 -9.634 -6.439 15.139 1.00 0.00 C ATOM 581 CG ASP A 42 -10.742 -7.289 15.736 1.00 0.00 C ATOM 582 OD1 ASP A 42 -11.473 -6.792 16.616 1.00 0.00 O ATOM 583 OD2 ASP A 42 -10.890 -8.460 15.319 1.00 0.00 O ATOM 0 H ASP A 42 -6.829 -5.551 14.864 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.678 -6.255 17.041 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.003 -5.424 14.994 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -9.378 -6.829 14.154 1.00 0.00 H new ATOM 588 N ASP A 43 -8.244 -8.823 15.732 1.00 0.00 N ATOM 589 CA ASP A 43 -7.572 -10.116 15.634 1.00 0.00 C ATOM 590 C ASP A 43 -6.609 -10.142 14.452 1.00 0.00 C ATOM 591 O ASP A 43 -5.513 -10.698 14.541 1.00 0.00 O ATOM 592 CB ASP A 43 -8.593 -11.245 15.496 1.00 0.00 C ATOM 593 CG ASP A 43 -7.932 -12.603 15.365 1.00 0.00 C ATOM 594 OD1 ASP A 43 -7.332 -13.077 16.352 1.00 0.00 O ATOM 595 OD2 ASP A 43 -8.008 -13.207 14.274 1.00 0.00 O ATOM 0 H ASP A 43 -9.260 -8.871 15.661 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.002 -10.265 16.551 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.251 -11.246 16.365 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.219 -11.062 14.623 1.00 0.00 H new ATOM 600 N GLY A 44 -7.025 -9.539 13.349 1.00 0.00 N ATOM 601 CA GLY A 44 -6.164 -9.438 12.194 1.00 0.00 C ATOM 602 C GLY A 44 -6.612 -10.335 11.063 1.00 0.00 C ATOM 603 O GLY A 44 -5.797 -11.041 10.469 1.00 0.00 O ATOM 0 H GLY A 44 -7.947 -9.117 13.235 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.143 -8.404 11.848 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.145 -9.699 12.480 1.00 0.00 H new ATOM 607 N LYS A 45 -7.910 -10.328 10.775 1.00 0.00 N ATOM 608 CA LYS A 45 -8.440 -11.092 9.656 1.00 0.00 C ATOM 609 C LYS A 45 -8.140 -10.392 8.339 1.00 0.00 C ATOM 610 O LYS A 45 -8.868 -9.497 7.909 1.00 0.00 O ATOM 611 CB LYS A 45 -9.943 -11.325 9.808 1.00 0.00 C ATOM 612 CG LYS A 45 -10.284 -12.387 10.840 1.00 0.00 C ATOM 613 CD LYS A 45 -9.751 -13.755 10.431 1.00 0.00 C ATOM 614 CE LYS A 45 -10.431 -14.275 9.169 1.00 0.00 C ATOM 615 NZ LYS A 45 -9.876 -15.585 8.734 1.00 0.00 N ATOM 0 H LYS A 45 -8.610 -9.803 11.300 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.947 -12.064 9.653 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.423 -10.387 10.089 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.358 -11.619 8.844 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.864 -12.106 11.806 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.365 -12.439 10.966 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.676 -13.691 10.264 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.906 -14.463 11.245 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.501 -14.377 9.350 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.312 -13.547 8.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.611 -16.125 8.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.070 -15.426 8.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.558 -16.121 9.567 1.00 0.00 H new ATOM 629 N VAL A 46 -7.041 -10.794 7.727 1.00 0.00 N ATOM 630 CA VAL A 46 -6.599 -10.236 6.463 1.00 0.00 C ATOM 631 C VAL A 46 -6.278 -11.379 5.513 1.00 0.00 C ATOM 632 O VAL A 46 -5.996 -12.490 5.957 1.00 0.00 O ATOM 633 CB VAL A 46 -5.348 -9.343 6.643 1.00 0.00 C ATOM 634 CG1 VAL A 46 -5.045 -8.570 5.373 1.00 0.00 C ATOM 635 CG2 VAL A 46 -5.518 -8.385 7.813 1.00 0.00 C ATOM 0 H VAL A 46 -6.427 -11.521 8.095 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.396 -9.612 6.058 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.506 -10.000 6.859 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.161 -7.950 5.526 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.861 -9.269 4.557 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.895 -7.935 5.122 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.623 -7.771 7.914 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.380 -7.742 7.635 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.673 -8.954 8.730 1.00 0.00 H new ATOM 645 N ILE A 47 -6.338 -11.124 4.219 1.00 0.00 N ATOM 646 CA ILE A 47 -6.091 -12.166 3.237 1.00 0.00 C ATOM 647 C ILE A 47 -4.596 -12.277 2.952 1.00 0.00 C ATOM 648 O ILE A 47 -3.909 -11.266 2.812 1.00 0.00 O ATOM 649 CB ILE A 47 -6.845 -11.884 1.924 1.00 0.00 C ATOM 650 CG1 ILE A 47 -8.141 -11.118 2.207 1.00 0.00 C ATOM 651 CG2 ILE A 47 -7.145 -13.193 1.192 1.00 0.00 C ATOM 652 CD1 ILE A 47 -9.139 -11.880 3.050 1.00 0.00 C ATOM 0 H ILE A 47 -6.555 -10.209 3.824 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.455 -13.107 3.650 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.213 -11.268 1.285 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.895 -10.183 2.711 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.609 -10.855 1.258 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.678 -12.978 0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.210 -13.704 0.962 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.761 -13.831 1.826 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.028 -11.268 3.204 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.417 -12.802 2.540 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.692 -12.120 4.015 1.00 0.00 H new ATOM 664 N LYS A 48 -4.097 -13.503 2.900 1.00 0.00 N ATOM 665 CA LYS A 48 -2.685 -13.753 2.643 1.00 0.00 C ATOM 666 C LYS A 48 -2.451 -14.243 1.226 1.00 0.00 C ATOM 667 O LYS A 48 -3.388 -14.426 0.450 1.00 0.00 O ATOM 668 CB LYS A 48 -2.134 -14.792 3.618 1.00 0.00 C ATOM 669 CG LYS A 48 -1.452 -14.201 4.837 1.00 0.00 C ATOM 670 CD LYS A 48 -2.152 -14.633 6.112 1.00 0.00 C ATOM 671 CE LYS A 48 -3.480 -13.915 6.259 1.00 0.00 C ATOM 672 NZ LYS A 48 -4.383 -14.573 7.237 1.00 0.00 N ATOM 0 H LYS A 48 -4.654 -14.347 3.033 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.166 -12.804 2.779 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.951 -15.433 3.948 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.423 -15.428 3.090 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.409 -14.518 4.865 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.453 -13.113 4.768 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.314 -15.711 6.097 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.518 -14.418 6.972 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.299 -12.887 6.572 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.974 -13.870 5.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.095 -13.890 7.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.860 -15.378 6.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.828 -14.913 8.048 1.00 0.00 H new ATOM 686 N ASP A 49 -1.185 -14.438 0.906 1.00 0.00 N ATOM 687 CA ASP A 49 -0.781 -15.018 -0.362 1.00 0.00 C ATOM 688 C ASP A 49 -0.117 -16.373 -0.118 1.00 0.00 C ATOM 689 O ASP A 49 0.207 -16.716 1.020 1.00 0.00 O ATOM 690 CB ASP A 49 0.216 -14.102 -1.070 1.00 0.00 C ATOM 691 CG ASP A 49 -0.213 -12.657 -1.137 1.00 0.00 C ATOM 692 OD1 ASP A 49 -0.936 -12.294 -2.077 1.00 0.00 O ATOM 693 OD2 ASP A 49 0.233 -11.872 -0.267 1.00 0.00 O ATOM 0 H ASP A 49 -0.406 -14.198 1.519 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.666 -15.141 -0.986 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.175 -14.161 -0.556 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.374 -14.470 -2.084 1.00 0.00 H new ATOM 698 N SER A 50 0.122 -17.120 -1.194 1.00 0.00 N ATOM 699 CA SER A 50 0.788 -18.428 -1.091 1.00 0.00 C ATOM 700 C SER A 50 2.264 -18.251 -0.728 1.00 0.00 C ATOM 701 O SER A 50 2.991 -19.207 -0.459 1.00 0.00 O ATOM 702 CB SER A 50 0.667 -19.184 -2.406 1.00 0.00 C ATOM 703 OG SER A 50 1.371 -18.517 -3.432 1.00 0.00 O ATOM 0 H SER A 50 -0.132 -16.849 -2.144 1.00 0.00 H new ATOM 0 HA SER A 50 0.299 -19.002 -0.303 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.058 -20.195 -2.287 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.383 -19.279 -2.681 1.00 0.00 H new ATOM 0 HG SER A 50 1.077 -17.583 -3.477 1.00 0.00 H new ATOM 709 N VAL A 51 2.661 -16.997 -0.712 1.00 0.00 N ATOM 710 CA VAL A 51 4.035 -16.614 -0.442 1.00 0.00 C ATOM 711 C VAL A 51 4.245 -16.489 1.057 1.00 0.00 C ATOM 712 O VAL A 51 5.368 -16.429 1.553 1.00 0.00 O ATOM 713 CB VAL A 51 4.365 -15.285 -1.124 1.00 0.00 C ATOM 714 CG1 VAL A 51 5.859 -15.091 -1.230 1.00 0.00 C ATOM 715 CG2 VAL A 51 3.706 -15.222 -2.477 1.00 0.00 C ATOM 0 H VAL A 51 2.038 -16.208 -0.887 1.00 0.00 H new ATOM 0 HA VAL A 51 4.698 -17.383 -0.839 1.00 0.00 H new ATOM 0 HB VAL A 51 3.973 -14.471 -0.515 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.069 -14.139 -1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.298 -15.091 -0.232 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.291 -15.902 -1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.947 -14.272 -2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.068 -16.042 -3.097 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.626 -15.306 -2.360 1.00 0.00 H new ATOM 725 N GLY A 52 3.133 -16.466 1.764 1.00 0.00 N ATOM 726 CA GLY A 52 3.159 -16.360 3.205 1.00 0.00 C ATOM 727 C GLY A 52 3.065 -14.927 3.665 1.00 0.00 C ATOM 728 O GLY A 52 3.186 -14.639 4.856 1.00 0.00 O ATOM 0 H GLY A 52 2.198 -16.520 1.360 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.332 -16.931 3.626 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.079 -16.804 3.585 1.00 0.00 H new ATOM 732 N ASN A 53 2.859 -14.022 2.722 1.00 0.00 N ATOM 733 CA ASN A 53 2.719 -12.614 3.056 1.00 0.00 C ATOM 734 C ASN A 53 1.259 -12.206 3.154 1.00 0.00 C ATOM 735 O ASN A 53 0.360 -12.934 2.744 1.00 0.00 O ATOM 736 CB ASN A 53 3.436 -11.700 2.053 1.00 0.00 C ATOM 737 CG ASN A 53 3.789 -12.386 0.754 1.00 0.00 C ATOM 738 OD1 ASN A 53 4.944 -12.737 0.524 1.00 0.00 O ATOM 739 ND2 ASN A 53 2.797 -12.617 -0.088 1.00 0.00 N ATOM 0 H ASN A 53 2.785 -14.234 1.727 1.00 0.00 H new ATOM 0 HA ASN A 53 3.192 -12.490 4.030 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.801 -10.840 1.839 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.348 -11.317 2.511 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.976 -13.103 -0.966 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.852 -12.309 0.141 1.00 0.00 H new ATOM 746 N VAL A 54 1.066 -11.017 3.688 1.00 0.00 N ATOM 747 CA VAL A 54 -0.262 -10.466 3.923 1.00 0.00 C ATOM 748 C VAL A 54 -0.481 -9.248 3.031 1.00 0.00 C ATOM 749 O VAL A 54 0.460 -8.495 2.756 1.00 0.00 O ATOM 750 CB VAL A 54 -0.465 -10.085 5.406 1.00 0.00 C ATOM 751 CG1 VAL A 54 -1.916 -9.747 5.682 1.00 0.00 C ATOM 752 CG2 VAL A 54 -0.001 -11.206 6.324 1.00 0.00 C ATOM 0 H VAL A 54 1.826 -10.400 3.974 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.995 -11.234 3.676 1.00 0.00 H new ATOM 0 HB VAL A 54 0.140 -9.202 5.609 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.034 -9.482 6.733 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.218 -8.905 5.059 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.541 -10.610 5.453 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.155 -10.913 7.363 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.574 -12.109 6.113 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.058 -11.400 6.155 1.00 0.00 H new ATOM 762 N LEU A 55 -1.706 -9.059 2.556 1.00 0.00 N ATOM 763 CA LEU A 55 -2.007 -8.006 1.600 1.00 0.00 C ATOM 764 C LEU A 55 -2.655 -6.805 2.272 1.00 0.00 C ATOM 765 O LEU A 55 -2.988 -6.834 3.455 1.00 0.00 O ATOM 766 CB LEU A 55 -2.933 -8.566 0.516 1.00 0.00 C ATOM 767 CG LEU A 55 -2.332 -9.733 -0.259 1.00 0.00 C ATOM 768 CD1 LEU A 55 -3.385 -10.557 -0.974 1.00 0.00 C ATOM 769 CD2 LEU A 55 -1.288 -9.233 -1.239 1.00 0.00 C ATOM 0 H LEU A 55 -2.511 -9.627 2.821 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.072 -7.665 1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.865 -8.890 0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.184 -7.768 -0.183 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.855 -10.391 0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.904 -11.375 -1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.086 -10.963 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.923 -9.926 -1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.868 -10.077 -1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.751 -8.540 -1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.494 -8.721 -0.695 1.00 0.00 H new ATOM 781 N GLN A 56 -2.829 -5.754 1.493 1.00 0.00 N ATOM 782 CA GLN A 56 -3.461 -4.532 1.955 1.00 0.00 C ATOM 783 C GLN A 56 -4.621 -4.220 1.026 1.00 0.00 C ATOM 784 O GLN A 56 -4.551 -4.516 -0.166 1.00 0.00 O ATOM 785 CB GLN A 56 -2.433 -3.391 1.953 1.00 0.00 C ATOM 786 CG GLN A 56 -2.937 -2.050 2.484 1.00 0.00 C ATOM 787 CD GLN A 56 -3.510 -2.134 3.887 1.00 0.00 C ATOM 788 OE1 GLN A 56 -2.774 -2.128 4.870 1.00 0.00 O ATOM 789 NE2 GLN A 56 -4.829 -2.126 3.994 1.00 0.00 N ATOM 0 H GLN A 56 -2.534 -5.724 0.517 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.834 -4.648 2.973 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.574 -3.698 2.549 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -2.078 -3.247 0.933 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.116 -1.333 2.477 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -3.702 -1.665 1.810 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.409 -2.131 3.155 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.266 -2.114 4.916 1.00 0.00 H new ATOM 798 N ASP A 57 -5.691 -3.656 1.557 1.00 0.00 N ATOM 799 CA ASP A 57 -6.849 -3.317 0.745 1.00 0.00 C ATOM 800 C ASP A 57 -6.521 -2.135 -0.158 1.00 0.00 C ATOM 801 O ASP A 57 -6.549 -0.983 0.271 1.00 0.00 O ATOM 802 CB ASP A 57 -8.038 -2.982 1.645 1.00 0.00 C ATOM 803 CG ASP A 57 -9.337 -2.901 0.878 1.00 0.00 C ATOM 804 OD1 ASP A 57 -9.677 -1.808 0.385 1.00 0.00 O ATOM 805 OD2 ASP A 57 -10.027 -3.935 0.776 1.00 0.00 O ATOM 0 H ASP A 57 -5.784 -3.423 2.546 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.111 -4.173 0.123 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.126 -3.740 2.423 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.855 -2.031 2.145 1.00 0.00 H new ATOM 810 N GLY A 58 -6.163 -2.441 -1.393 1.00 0.00 N ATOM 811 CA GLY A 58 -5.738 -1.422 -2.331 1.00 0.00 C ATOM 812 C GLY A 58 -4.357 -1.728 -2.868 1.00 0.00 C ATOM 813 O GLY A 58 -3.852 -1.049 -3.762 1.00 0.00 O ATOM 0 H GLY A 58 -6.159 -3.390 -1.768 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.448 -1.361 -3.155 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.735 -0.449 -1.841 1.00 0.00 H new ATOM 817 N ASP A 59 -3.748 -2.761 -2.300 1.00 0.00 N ATOM 818 CA ASP A 59 -2.438 -3.234 -2.727 1.00 0.00 C ATOM 819 C ASP A 59 -2.511 -3.856 -4.114 1.00 0.00 C ATOM 820 O ASP A 59 -3.597 -4.161 -4.611 1.00 0.00 O ATOM 821 CB ASP A 59 -1.928 -4.278 -1.734 1.00 0.00 C ATOM 822 CG ASP A 59 -0.462 -4.602 -1.912 1.00 0.00 C ATOM 823 OD1 ASP A 59 0.271 -3.766 -2.480 1.00 0.00 O ATOM 824 OD2 ASP A 59 -0.043 -5.688 -1.466 1.00 0.00 O ATOM 0 H ASP A 59 -4.149 -3.295 -1.529 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.758 -2.383 -2.762 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.093 -3.916 -0.719 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.512 -5.192 -1.845 1.00 0.00 H new ATOM 829 N THR A 60 -1.359 -4.070 -4.722 1.00 0.00 N ATOM 830 CA THR A 60 -1.286 -4.728 -6.005 1.00 0.00 C ATOM 831 C THR A 60 -0.787 -6.140 -5.790 1.00 0.00 C ATOM 832 O THR A 60 0.139 -6.353 -5.011 1.00 0.00 O ATOM 833 CB THR A 60 -0.334 -3.985 -6.962 1.00 0.00 C ATOM 834 OG1 THR A 60 -0.716 -2.607 -7.049 1.00 0.00 O ATOM 835 CG2 THR A 60 -0.352 -4.607 -8.348 1.00 0.00 C ATOM 0 H THR A 60 -0.455 -3.793 -4.340 1.00 0.00 H new ATOM 0 HA THR A 60 -2.277 -4.733 -6.458 1.00 0.00 H new ATOM 0 HB THR A 60 0.678 -4.064 -6.565 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.043 -2.041 -6.796 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.329 -4.061 -9.001 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.037 -5.648 -8.284 1.00 0.00 H new ATOM 0 HG23 THR A 60 -1.362 -4.558 -8.756 1.00 0.00 H new ATOM 843 N ILE A 61 -1.400 -7.099 -6.456 1.00 0.00 N ATOM 844 CA ILE A 61 -1.044 -8.493 -6.268 1.00 0.00 C ATOM 845 C ILE A 61 -0.659 -9.119 -7.603 1.00 0.00 C ATOM 846 O ILE A 61 -0.804 -8.496 -8.658 1.00 0.00 O ATOM 847 CB ILE A 61 -2.215 -9.291 -5.648 1.00 0.00 C ATOM 848 CG1 ILE A 61 -3.356 -9.463 -6.656 1.00 0.00 C ATOM 849 CG2 ILE A 61 -2.718 -8.600 -4.394 1.00 0.00 C ATOM 850 CD1 ILE A 61 -3.367 -10.822 -7.317 1.00 0.00 C ATOM 0 H ILE A 61 -2.147 -6.939 -7.132 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.196 -8.531 -5.584 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.847 -10.281 -5.380 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.308 -9.305 -6.148 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.273 -8.694 -7.424 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.542 -9.173 -3.969 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.909 -8.533 -3.666 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.065 -7.598 -4.645 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.199 -10.878 -8.019 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.430 -10.974 -7.852 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.480 -11.595 -6.557 1.00 0.00 H new ATOM 862 N THR A 62 -0.154 -10.336 -7.555 1.00 0.00 N ATOM 863 CA THR A 62 0.165 -11.082 -8.758 1.00 0.00 C ATOM 864 C THR A 62 0.020 -12.589 -8.527 1.00 0.00 C ATOM 865 O THR A 62 0.620 -13.149 -7.612 1.00 0.00 O ATOM 866 CB THR A 62 1.592 -10.738 -9.235 1.00 0.00 C ATOM 867 OG1 THR A 62 1.576 -9.495 -9.945 1.00 0.00 O ATOM 868 CG2 THR A 62 2.184 -11.828 -10.115 1.00 0.00 C ATOM 0 H THR A 62 0.046 -10.834 -6.687 1.00 0.00 H new ATOM 0 HA THR A 62 -0.543 -10.796 -9.536 1.00 0.00 H new ATOM 0 HB THR A 62 2.223 -10.656 -8.350 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.757 -9.003 -9.725 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.188 -11.540 -10.425 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.231 -12.762 -9.555 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.557 -11.965 -10.996 1.00 0.00 H new ATOM 876 N VAL A 63 -0.813 -13.224 -9.346 1.00 0.00 N ATOM 877 CA VAL A 63 -0.987 -14.666 -9.317 1.00 0.00 C ATOM 878 C VAL A 63 0.311 -15.338 -9.747 1.00 0.00 C ATOM 879 O VAL A 63 0.920 -14.970 -10.752 1.00 0.00 O ATOM 880 CB VAL A 63 -2.152 -15.112 -10.239 1.00 0.00 C ATOM 881 CG1 VAL A 63 -1.677 -15.401 -11.645 1.00 0.00 C ATOM 882 CG2 VAL A 63 -2.870 -16.321 -9.668 1.00 0.00 C ATOM 0 H VAL A 63 -1.384 -12.751 -10.046 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.237 -14.966 -8.299 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.855 -14.280 -10.287 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.523 -15.710 -12.259 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.230 -14.502 -12.070 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.935 -16.199 -11.622 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.682 -16.611 -10.335 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.167 -17.149 -9.570 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.277 -16.073 -8.688 1.00 0.00 H new ATOM 892 N ILE A 64 0.792 -16.243 -8.932 1.00 0.00 N ATOM 893 CA ILE A 64 2.024 -16.939 -9.249 1.00 0.00 C ATOM 894 C ILE A 64 1.807 -18.303 -9.881 1.00 0.00 C ATOM 895 O ILE A 64 2.758 -19.083 -9.978 1.00 0.00 O ATOM 896 CB ILE A 64 2.908 -17.127 -7.994 1.00 0.00 C ATOM 897 CG1 ILE A 64 2.267 -18.094 -6.983 1.00 0.00 C ATOM 898 CG2 ILE A 64 3.160 -15.787 -7.338 1.00 0.00 C ATOM 899 CD1 ILE A 64 1.211 -17.475 -6.103 1.00 0.00 C ATOM 0 H ILE A 64 0.358 -16.517 -8.051 1.00 0.00 H new ATOM 0 HA ILE A 64 2.523 -16.299 -9.977 1.00 0.00 H new ATOM 0 HB ILE A 64 3.854 -17.563 -8.315 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.824 -18.927 -7.528 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.051 -18.509 -6.350 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.783 -15.926 -6.455 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.669 -15.128 -8.041 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.210 -15.341 -7.045 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.816 -18.230 -5.423 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.650 -16.661 -5.526 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.403 -17.086 -6.723 1.00 0.00 H new ATOM 911 N LYS A 65 0.601 -18.617 -10.342 1.00 0.00 N ATOM 912 CA LYS A 65 0.334 -19.940 -10.879 1.00 0.00 C ATOM 913 C LYS A 65 -0.631 -19.830 -12.060 1.00 0.00 C ATOM 914 O LYS A 65 -1.211 -18.772 -12.299 1.00 0.00 O ATOM 915 CB LYS A 65 -0.254 -20.838 -9.789 1.00 0.00 C ATOM 916 CG LYS A 65 0.752 -21.217 -8.718 1.00 0.00 C ATOM 917 CD LYS A 65 0.084 -21.416 -7.372 1.00 0.00 C ATOM 918 CE LYS A 65 1.088 -21.809 -6.300 1.00 0.00 C ATOM 919 NZ LYS A 65 0.429 -22.101 -4.999 1.00 0.00 N ATOM 0 H LYS A 65 -0.196 -17.980 -10.354 1.00 0.00 H new ATOM 0 HA LYS A 65 1.267 -20.384 -11.227 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.096 -20.328 -9.322 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.646 -21.746 -10.248 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.266 -22.133 -9.009 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.510 -20.438 -8.637 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.422 -20.497 -7.077 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.681 -22.188 -7.456 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.645 -22.686 -6.629 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.811 -21.004 -6.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.146 -22.131 -4.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.265 -21.356 -4.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.055 -23.020 -5.053 1.00 0.00 H new ATOM 933 N ASP A 66 -0.723 -20.898 -12.833 1.00 0.00 N ATOM 934 CA ASP A 66 -1.657 -20.942 -13.958 1.00 0.00 C ATOM 935 C ASP A 66 -3.066 -21.390 -13.540 1.00 0.00 C ATOM 936 O ASP A 66 -3.279 -22.495 -13.031 1.00 0.00 O ATOM 937 CB ASP A 66 -1.112 -21.819 -15.097 1.00 0.00 C ATOM 938 CG ASP A 66 -1.242 -23.308 -14.847 1.00 0.00 C ATOM 939 OD1 ASP A 66 -0.626 -23.818 -13.888 1.00 0.00 O ATOM 940 OD2 ASP A 66 -1.961 -23.975 -15.620 1.00 0.00 O ATOM 0 H ASP A 66 -0.168 -21.745 -12.708 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.750 -19.920 -14.327 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.639 -21.569 -16.018 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.061 -21.578 -15.255 1.00 0.00 H new ATOM 945 N LEU A 67 -4.013 -20.481 -13.726 1.00 0.00 N ATOM 946 CA LEU A 67 -5.438 -20.752 -13.552 1.00 0.00 C ATOM 947 C LEU A 67 -6.213 -20.157 -14.728 1.00 0.00 C ATOM 948 O LEU A 67 -5.772 -19.194 -15.336 1.00 0.00 O ATOM 949 CB LEU A 67 -5.985 -20.130 -12.256 1.00 0.00 C ATOM 950 CG LEU A 67 -5.299 -20.534 -10.949 1.00 0.00 C ATOM 951 CD1 LEU A 67 -4.047 -19.705 -10.713 1.00 0.00 C ATOM 952 CD2 LEU A 67 -6.264 -20.377 -9.786 1.00 0.00 C ATOM 0 H LEU A 67 -3.813 -19.521 -14.006 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.563 -21.834 -13.502 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.925 -19.046 -12.349 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.042 -20.385 -12.177 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.001 -21.580 -11.025 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.578 -20.012 -9.778 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.349 -19.858 -11.536 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.315 -18.650 -10.656 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.768 -20.667 -8.860 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.584 -19.337 -9.716 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.134 -21.014 -9.946 1.00 0.00 H new ATOM 964 N LYS A 68 -7.335 -20.746 -15.085 1.00 0.00 N ATOM 965 CA LYS A 68 -8.213 -20.124 -16.075 1.00 0.00 C ATOM 966 C LYS A 68 -9.277 -19.246 -15.409 1.00 0.00 C ATOM 967 O LYS A 68 -9.344 -19.151 -14.183 1.00 0.00 O ATOM 968 CB LYS A 68 -8.883 -21.161 -16.976 1.00 0.00 C ATOM 969 CG LYS A 68 -9.920 -22.025 -16.277 1.00 0.00 C ATOM 970 CD LYS A 68 -10.960 -22.535 -17.261 1.00 0.00 C ATOM 971 CE LYS A 68 -10.325 -23.284 -18.421 1.00 0.00 C ATOM 972 NZ LYS A 68 -11.322 -23.625 -19.470 1.00 0.00 N ATOM 0 H LYS A 68 -7.664 -21.639 -14.717 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.579 -19.492 -16.697 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.360 -20.646 -17.810 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.114 -21.808 -17.399 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.428 -22.869 -15.793 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.409 -21.448 -15.492 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.658 -23.193 -16.743 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.539 -21.695 -17.645 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.533 -22.675 -18.857 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.859 -24.198 -18.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.851 -24.135 -20.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.065 -24.227 -19.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.749 -22.752 -19.840 1.00 0.00 H new ATOM 986 N VAL A 69 -10.104 -18.607 -16.234 1.00 0.00 N ATOM 987 CA VAL A 69 -11.179 -17.750 -15.737 1.00 0.00 C ATOM 988 C VAL A 69 -12.513 -18.298 -16.234 1.00 0.00 C ATOM 989 O VAL A 69 -12.663 -18.554 -17.429 1.00 0.00 O ATOM 990 CB VAL A 69 -11.018 -16.284 -16.198 1.00 0.00 C ATOM 991 CG1 VAL A 69 -12.107 -15.405 -15.597 1.00 0.00 C ATOM 992 CG2 VAL A 69 -9.643 -15.752 -15.827 1.00 0.00 C ATOM 0 H VAL A 69 -10.050 -18.666 -17.251 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.139 -17.754 -14.648 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.117 -16.259 -17.283 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.973 -14.378 -15.935 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -13.084 -15.768 -15.915 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -12.044 -15.440 -14.509 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.551 -14.718 -16.161 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.515 -15.797 -14.745 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -8.876 -16.359 -16.309 1.00 0.00 H new ATOM 1002 N LYS A 70 -13.474 -18.486 -15.326 1.00 0.00 N ATOM 1003 CA LYS A 70 -14.726 -19.181 -15.627 1.00 0.00 C ATOM 1004 C LYS A 70 -15.489 -18.548 -16.793 1.00 0.00 C ATOM 1005 O LYS A 70 -16.034 -17.448 -16.665 1.00 0.00 O ATOM 1006 CB LYS A 70 -15.610 -19.147 -14.375 1.00 0.00 C ATOM 1007 CG LYS A 70 -16.684 -20.221 -14.318 1.00 0.00 C ATOM 1008 CD LYS A 70 -16.141 -21.513 -13.731 1.00 0.00 C ATOM 1009 CE LYS A 70 -17.259 -22.486 -13.405 1.00 0.00 C ATOM 1010 NZ LYS A 70 -16.767 -23.682 -12.670 1.00 0.00 N ATOM 0 H LYS A 70 -13.405 -18.160 -14.362 1.00 0.00 H new ATOM 0 HA LYS A 70 -14.480 -20.202 -15.919 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.973 -19.244 -13.496 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -16.090 -18.170 -14.314 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -17.522 -19.869 -13.716 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -17.068 -20.408 -15.321 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -15.450 -21.973 -14.438 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -15.573 -21.293 -12.827 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.016 -21.980 -12.806 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -17.743 -22.803 -14.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.565 -24.318 -12.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.064 -24.182 -13.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.328 -23.384 -11.776 1.00 0.00 H new ATOM 1024 N GLY A 71 -15.500 -19.243 -17.928 1.00 0.00 N ATOM 1025 CA GLY A 71 -16.324 -18.844 -19.063 1.00 0.00 C ATOM 1026 C GLY A 71 -15.894 -17.541 -19.710 1.00 0.00 C ATOM 1027 O GLY A 71 -16.549 -17.055 -20.633 1.00 0.00 O ATOM 0 H GLY A 71 -14.947 -20.085 -18.085 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -16.300 -19.635 -19.812 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -17.358 -18.750 -18.733 1.00 0.00 H new ATOM 1031 N SER A 72 -14.801 -16.970 -19.236 1.00 0.00 N ATOM 1032 CA SER A 72 -14.341 -15.688 -19.735 1.00 0.00 C ATOM 1033 C SER A 72 -13.194 -15.863 -20.725 1.00 0.00 C ATOM 1034 O SER A 72 -12.610 -16.941 -20.834 1.00 0.00 O ATOM 1035 CB SER A 72 -13.907 -14.814 -18.562 1.00 0.00 C ATOM 1036 OG SER A 72 -14.929 -14.753 -17.582 1.00 0.00 O ATOM 0 H SER A 72 -14.215 -17.375 -18.505 1.00 0.00 H new ATOM 0 HA SER A 72 -15.161 -15.203 -20.264 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.995 -15.215 -18.120 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.674 -13.810 -18.916 1.00 0.00 H new ATOM 0 HG SER A 72 -15.107 -15.653 -17.239 1.00 0.00 H new ATOM 1042 N SER A 73 -12.880 -14.796 -21.445 1.00 0.00 N ATOM 1043 CA SER A 73 -11.794 -14.813 -22.411 1.00 0.00 C ATOM 1044 C SER A 73 -10.460 -14.523 -21.724 1.00 0.00 C ATOM 1045 O SER A 73 -9.401 -14.558 -22.354 1.00 0.00 O ATOM 1046 CB SER A 73 -12.068 -13.784 -23.509 1.00 0.00 C ATOM 1047 OG SER A 73 -12.429 -12.533 -22.948 1.00 0.00 O ATOM 0 H SER A 73 -13.366 -13.902 -21.377 1.00 0.00 H new ATOM 0 HA SER A 73 -11.733 -15.804 -22.860 1.00 0.00 H new ATOM 0 HB2 SER A 73 -11.182 -13.666 -24.132 1.00 0.00 H new ATOM 0 HB3 SER A 73 -12.868 -14.141 -24.157 1.00 0.00 H new ATOM 0 HG SER A 73 -12.598 -11.889 -23.667 1.00 0.00 H new ATOM 1053 N LEU A 74 -10.526 -14.235 -20.429 1.00 0.00 N ATOM 1054 CA LEU A 74 -9.336 -13.964 -19.638 1.00 0.00 C ATOM 1055 C LEU A 74 -8.692 -15.282 -19.210 1.00 0.00 C ATOM 1056 O LEU A 74 -9.292 -16.351 -19.355 1.00 0.00 O ATOM 1057 CB LEU A 74 -9.694 -13.105 -18.417 1.00 0.00 C ATOM 1058 CG LEU A 74 -8.552 -12.245 -17.860 1.00 0.00 C ATOM 1059 CD1 LEU A 74 -8.085 -11.239 -18.900 1.00 0.00 C ATOM 1060 CD2 LEU A 74 -8.988 -11.529 -16.594 1.00 0.00 C ATOM 0 H LEU A 74 -11.399 -14.184 -19.904 1.00 0.00 H new ATOM 0 HA LEU A 74 -8.620 -13.408 -20.242 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.522 -12.449 -18.686 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.052 -13.762 -17.624 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.719 -12.904 -17.615 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.275 -10.638 -18.487 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.730 -11.768 -19.784 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.915 -10.588 -19.175 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.164 -10.925 -16.215 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -9.839 -10.884 -16.815 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -9.275 -12.263 -15.841 1.00 0.00 H new ATOM 1072 N VAL A 75 -7.505 -15.191 -18.628 1.00 0.00 N ATOM 1073 CA VAL A 75 -6.657 -16.343 -18.368 1.00 0.00 C ATOM 1074 C VAL A 75 -5.692 -15.939 -17.262 1.00 0.00 C ATOM 1075 O VAL A 75 -4.952 -14.967 -17.411 1.00 0.00 O ATOM 1076 CB VAL A 75 -5.859 -16.820 -19.603 1.00 0.00 C ATOM 1077 CG1 VAL A 75 -4.882 -17.917 -19.209 1.00 0.00 C ATOM 1078 CG2 VAL A 75 -6.787 -17.330 -20.693 1.00 0.00 C ATOM 0 H VAL A 75 -7.101 -14.307 -18.320 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.292 -17.183 -18.086 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.306 -15.965 -19.992 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.327 -18.243 -20.089 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.186 -17.534 -18.463 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.432 -18.761 -18.793 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.197 -17.658 -21.549 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.371 -18.168 -20.311 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.460 -16.530 -21.002 1.00 0.00 H new ATOM 1088 N VAL A 76 -5.713 -16.650 -16.155 1.00 0.00 N ATOM 1089 CA VAL A 76 -4.917 -16.270 -15.000 1.00 0.00 C ATOM 1090 C VAL A 76 -3.532 -16.915 -15.065 1.00 0.00 C ATOM 1091 O VAL A 76 -3.344 -18.071 -14.713 1.00 0.00 O ATOM 1092 CB VAL A 76 -5.630 -16.647 -13.682 1.00 0.00 C ATOM 1093 CG1 VAL A 76 -4.795 -16.254 -12.486 1.00 0.00 C ATOM 1094 CG2 VAL A 76 -6.996 -15.988 -13.610 1.00 0.00 C ATOM 0 H VAL A 76 -6.271 -17.494 -16.027 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.796 -15.187 -15.018 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.762 -17.729 -13.666 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.318 -16.530 -11.570 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.836 -16.771 -12.526 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.627 -15.177 -12.498 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.484 -16.264 -12.675 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.880 -14.905 -13.653 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.605 -16.321 -14.450 1.00 0.00 H new ATOM 1104 N LYS A 77 -2.570 -16.156 -15.542 1.00 0.00 N ATOM 1105 CA LYS A 77 -1.220 -16.670 -15.724 1.00 0.00 C ATOM 1106 C LYS A 77 -0.262 -16.085 -14.697 1.00 0.00 C ATOM 1107 O LYS A 77 -0.419 -14.943 -14.285 1.00 0.00 O ATOM 1108 CB LYS A 77 -0.725 -16.431 -17.164 1.00 0.00 C ATOM 1109 CG LYS A 77 -0.923 -15.017 -17.705 1.00 0.00 C ATOM 1110 CD LYS A 77 0.043 -14.021 -17.086 1.00 0.00 C ATOM 1111 CE LYS A 77 0.056 -12.708 -17.849 1.00 0.00 C ATOM 1112 NZ LYS A 77 0.927 -11.692 -17.202 1.00 0.00 N ATOM 0 H LYS A 77 -2.692 -15.180 -15.812 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.248 -17.748 -15.562 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.337 -16.672 -17.208 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.238 -17.129 -17.826 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.791 -15.023 -18.787 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.946 -14.696 -17.510 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.238 -13.837 -16.049 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.047 -14.446 -17.074 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.402 -12.885 -18.868 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.960 -12.321 -17.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.014 -10.863 -17.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.508 -11.403 -16.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.869 -12.099 -17.034 1.00 0.00 H new ATOM 1126 N VAL A 78 0.706 -16.894 -14.273 1.00 0.00 N ATOM 1127 CA VAL A 78 1.730 -16.454 -13.318 1.00 0.00 C ATOM 1128 C VAL A 78 2.334 -15.099 -13.734 1.00 0.00 C ATOM 1129 O VAL A 78 3.194 -15.012 -14.614 1.00 0.00 O ATOM 1130 CB VAL A 78 2.846 -17.519 -13.148 1.00 0.00 C ATOM 1131 CG1 VAL A 78 3.344 -18.017 -14.496 1.00 0.00 C ATOM 1132 CG2 VAL A 78 4.004 -16.971 -12.321 1.00 0.00 C ATOM 0 H VAL A 78 0.806 -17.863 -14.575 1.00 0.00 H new ATOM 0 HA VAL A 78 1.238 -16.327 -12.353 1.00 0.00 H new ATOM 0 HB VAL A 78 2.413 -18.365 -12.614 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.125 -18.762 -14.343 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.517 -18.466 -15.046 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.747 -17.180 -15.067 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.772 -17.738 -12.217 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.427 -16.099 -12.820 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.642 -16.684 -11.334 1.00 0.00 H new ATOM 1142 N GLY A 79 1.818 -14.042 -13.121 1.00 0.00 N ATOM 1143 CA GLY A 79 2.252 -12.690 -13.432 1.00 0.00 C ATOM 1144 C GLY A 79 1.062 -11.773 -13.688 1.00 0.00 C ATOM 1145 O GLY A 79 1.227 -10.614 -14.062 1.00 0.00 O ATOM 0 H GLY A 79 1.096 -14.097 -12.403 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.846 -12.297 -12.607 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.898 -12.706 -14.310 1.00 0.00 H new ATOM 1149 N THR A 80 -0.132 -12.331 -13.502 1.00 0.00 N ATOM 1150 CA THR A 80 -1.366 -11.570 -13.651 1.00 0.00 C ATOM 1151 C THR A 80 -1.412 -10.441 -12.621 1.00 0.00 C ATOM 1152 O THR A 80 -1.657 -10.648 -11.440 1.00 0.00 O ATOM 1153 CB THR A 80 -2.625 -12.456 -13.533 1.00 0.00 C ATOM 1154 OG1 THR A 80 -2.676 -13.372 -14.635 1.00 0.00 O ATOM 1155 CG2 THR A 80 -3.895 -11.612 -13.525 1.00 0.00 C ATOM 0 H THR A 80 -0.269 -13.309 -13.247 1.00 0.00 H new ATOM 0 HA THR A 80 -1.367 -11.148 -14.656 1.00 0.00 H new ATOM 0 HB THR A 80 -2.566 -13.003 -12.592 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.872 -13.933 -14.632 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.765 -12.264 -13.441 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.871 -10.927 -12.677 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.958 -11.041 -14.451 1.00 0.00 H new ATOM 1163 N LYS A 81 -1.180 -9.243 -13.098 1.00 0.00 N ATOM 1164 CA LYS A 81 -1.092 -8.104 -12.203 1.00 0.00 C ATOM 1165 C LYS A 81 -2.455 -7.474 -11.994 1.00 0.00 C ATOM 1166 O LYS A 81 -3.101 -7.032 -12.947 1.00 0.00 O ATOM 1167 CB LYS A 81 -0.083 -7.065 -12.693 1.00 0.00 C ATOM 1168 CG LYS A 81 0.160 -5.946 -11.682 1.00 0.00 C ATOM 1169 CD LYS A 81 -0.773 -4.760 -11.895 1.00 0.00 C ATOM 1170 CE LYS A 81 -0.452 -4.011 -13.179 1.00 0.00 C ATOM 1171 NZ LYS A 81 0.926 -3.451 -13.163 1.00 0.00 N ATOM 0 H LYS A 81 -1.049 -9.027 -14.086 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.732 -8.476 -11.244 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.863 -7.560 -12.913 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -0.440 -6.632 -13.627 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.024 -6.335 -10.673 1.00 0.00 H new ATOM 0 HG3 LYS A 81 1.194 -5.610 -11.757 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.805 -5.111 -11.927 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.694 -4.079 -11.048 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.561 -4.684 -14.029 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.171 -3.203 -13.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.008 -2.710 -13.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.124 -3.043 -12.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.611 -4.208 -13.362 1.00 0.00 H new ATOM 1185 N VAL A 82 -2.886 -7.437 -10.741 1.00 0.00 N ATOM 1186 CA VAL A 82 -4.152 -6.824 -10.381 1.00 0.00 C ATOM 1187 C VAL A 82 -3.944 -5.894 -9.192 1.00 0.00 C ATOM 1188 O VAL A 82 -3.596 -6.335 -8.096 1.00 0.00 O ATOM 1189 CB VAL A 82 -5.226 -7.870 -10.027 1.00 0.00 C ATOM 1190 CG1 VAL A 82 -6.569 -7.195 -9.839 1.00 0.00 C ATOM 1191 CG2 VAL A 82 -5.316 -8.953 -11.090 1.00 0.00 C ATOM 0 H VAL A 82 -2.371 -7.828 -9.952 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.506 -6.266 -11.248 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.937 -8.349 -9.092 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.321 -7.944 -9.589 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.500 -6.466 -9.031 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.854 -6.689 -10.761 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.083 -9.675 -10.810 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.575 -8.502 -12.048 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.355 -9.460 -11.176 1.00 0.00 H new ATOM 1201 N LYS A 83 -4.118 -4.608 -9.428 1.00 0.00 N ATOM 1202 CA LYS A 83 -3.842 -3.608 -8.414 1.00 0.00 C ATOM 1203 C LYS A 83 -5.111 -3.130 -7.738 1.00 0.00 C ATOM 1204 O LYS A 83 -6.198 -3.189 -8.315 1.00 0.00 O ATOM 1205 CB LYS A 83 -3.075 -2.422 -9.006 1.00 0.00 C ATOM 1206 CG LYS A 83 -3.865 -1.581 -9.992 1.00 0.00 C ATOM 1207 CD LYS A 83 -3.021 -0.432 -10.520 1.00 0.00 C ATOM 1208 CE LYS A 83 -2.513 0.457 -9.392 1.00 0.00 C ATOM 1209 NZ LYS A 83 -1.552 1.481 -9.879 1.00 0.00 N ATOM 0 H LYS A 83 -4.450 -4.230 -10.315 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.218 -4.082 -7.657 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.739 -1.781 -8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.182 -2.798 -9.505 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.199 -2.204 -10.822 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.759 -1.189 -9.508 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.174 -0.829 -11.080 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.612 0.164 -11.216 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.357 0.952 -8.912 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.032 -0.160 -8.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.231 2.064 -9.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.733 1.010 -10.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.018 2.087 -10.584 1.00 0.00 H new ATOM 1223 N ASN A 84 -4.946 -2.667 -6.505 1.00 0.00 N ATOM 1224 CA ASN A 84 -6.041 -2.156 -5.698 1.00 0.00 C ATOM 1225 C ASN A 84 -7.062 -3.238 -5.420 1.00 0.00 C ATOM 1226 O ASN A 84 -8.249 -3.063 -5.703 1.00 0.00 O ATOM 1227 CB ASN A 84 -6.723 -0.949 -6.357 1.00 0.00 C ATOM 1228 CG ASN A 84 -5.886 0.310 -6.275 1.00 0.00 C ATOM 1229 OD1 ASN A 84 -5.935 1.040 -5.285 1.00 0.00 O ATOM 1230 ND2 ASN A 84 -5.140 0.595 -7.327 1.00 0.00 N ATOM 0 H ASN A 84 -4.041 -2.636 -6.036 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.610 -1.825 -4.753 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.926 -1.178 -7.403 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.685 -0.773 -5.876 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.578 1.446 -7.338 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.126 -0.036 -8.128 1.00 0.00 H new ATOM 1237 N ILE A 85 -6.614 -4.376 -4.891 1.00 0.00 N ATOM 1238 CA ILE A 85 -7.518 -5.429 -4.453 1.00 0.00 C ATOM 1239 C ILE A 85 -8.399 -4.992 -3.287 1.00 0.00 C ATOM 1240 O ILE A 85 -8.238 -3.911 -2.722 1.00 0.00 O ATOM 1241 CB ILE A 85 -6.708 -6.677 -4.013 1.00 0.00 C ATOM 1242 CG1 ILE A 85 -5.801 -6.332 -2.814 1.00 0.00 C ATOM 1243 CG2 ILE A 85 -5.876 -7.180 -5.183 1.00 0.00 C ATOM 1244 CD1 ILE A 85 -5.259 -7.540 -2.061 1.00 0.00 C ATOM 0 H ILE A 85 -5.626 -4.589 -4.757 1.00 0.00 H new ATOM 0 HA ILE A 85 -8.161 -5.663 -5.302 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.398 -7.462 -3.703 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.961 -5.736 -3.170 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.362 -5.708 -2.118 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.307 -8.057 -4.874 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.535 -7.447 -6.009 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -5.190 -6.397 -5.505 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.632 -7.203 -1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.090 -8.128 -1.670 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.667 -8.155 -2.738 1.00 0.00 H new ATOM 1256 N ARG A 86 -9.309 -5.872 -2.931 1.00 0.00 N ATOM 1257 CA ARG A 86 -10.246 -5.657 -1.847 1.00 0.00 C ATOM 1258 C ARG A 86 -10.208 -6.860 -0.918 1.00 0.00 C ATOM 1259 O ARG A 86 -10.411 -7.993 -1.361 1.00 0.00 O ATOM 1260 CB ARG A 86 -11.659 -5.484 -2.414 1.00 0.00 C ATOM 1261 CG ARG A 86 -12.750 -5.419 -1.357 1.00 0.00 C ATOM 1262 CD ARG A 86 -12.795 -4.062 -0.684 1.00 0.00 C ATOM 1263 NE ARG A 86 -13.205 -3.013 -1.616 1.00 0.00 N ATOM 1264 CZ ARG A 86 -13.010 -1.712 -1.414 1.00 0.00 C ATOM 1265 NH1 ARG A 86 -12.325 -1.293 -0.359 1.00 0.00 N ATOM 1266 NH2 ARG A 86 -13.472 -0.833 -2.294 1.00 0.00 N ATOM 0 H ARG A 86 -9.422 -6.774 -3.394 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.973 -4.757 -1.295 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.690 -4.572 -3.009 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.872 -6.313 -3.089 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -13.716 -5.630 -1.817 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.578 -6.192 -0.608 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.489 -4.095 0.156 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.812 -3.824 -0.277 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.671 -3.297 -2.478 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.944 -1.969 0.303 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.179 -0.295 -0.210 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.974 -1.155 -3.121 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.325 0.165 -2.143 1.00 0.00 H new ATOM 1280 N LEU A 87 -9.925 -6.638 0.355 1.00 0.00 N ATOM 1281 CA LEU A 87 -9.906 -7.724 1.317 1.00 0.00 C ATOM 1282 C LEU A 87 -11.332 -8.079 1.706 1.00 0.00 C ATOM 1283 O LEU A 87 -12.033 -7.272 2.320 1.00 0.00 O ATOM 1284 CB LEU A 87 -9.117 -7.311 2.562 1.00 0.00 C ATOM 1285 CG LEU A 87 -7.702 -6.791 2.300 1.00 0.00 C ATOM 1286 CD1 LEU A 87 -7.117 -6.197 3.570 1.00 0.00 C ATOM 1287 CD2 LEU A 87 -6.806 -7.896 1.761 1.00 0.00 C ATOM 0 H LEU A 87 -9.707 -5.720 0.743 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.424 -8.592 0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.678 -6.538 3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.052 -8.169 3.231 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.759 -6.008 1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.110 -5.831 3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.743 -5.371 3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.077 -6.962 4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.806 -7.500 1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.751 -8.707 2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.218 -8.274 0.825 1.00 0.00 H new ATOM 1299 N VAL A 88 -11.769 -9.269 1.335 1.00 0.00 N ATOM 1300 CA VAL A 88 -13.131 -9.685 1.628 1.00 0.00 C ATOM 1301 C VAL A 88 -13.179 -10.407 2.970 1.00 0.00 C ATOM 1302 O VAL A 88 -12.145 -10.612 3.605 1.00 0.00 O ATOM 1303 CB VAL A 88 -13.727 -10.582 0.520 1.00 0.00 C ATOM 1304 CG1 VAL A 88 -15.065 -10.025 0.058 1.00 0.00 C ATOM 1305 CG2 VAL A 88 -12.775 -10.714 -0.659 1.00 0.00 C ATOM 0 H VAL A 88 -11.208 -9.959 0.835 1.00 0.00 H new ATOM 0 HA VAL A 88 -13.741 -8.783 1.673 1.00 0.00 H new ATOM 0 HB VAL A 88 -13.880 -11.577 0.938 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -15.476 -10.665 -0.723 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -15.756 -9.992 0.901 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -14.924 -9.018 -0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -13.225 -11.351 -1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.579 -9.728 -1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.838 -11.157 -0.322 1.00 0.00 H new ATOM 1315 N ASP A 89 -14.371 -10.786 3.402 1.00 0.00 N ATOM 1316 CA ASP A 89 -14.544 -11.360 4.731 1.00 0.00 C ATOM 1317 C ASP A 89 -14.275 -12.843 4.729 1.00 0.00 C ATOM 1318 O ASP A 89 -15.167 -13.670 4.537 1.00 0.00 O ATOM 1319 CB ASP A 89 -15.934 -11.106 5.241 1.00 0.00 C ATOM 1320 CG ASP A 89 -16.104 -11.422 6.714 1.00 0.00 C ATOM 1321 OD1 ASP A 89 -16.358 -12.597 7.060 1.00 0.00 O ATOM 1322 OD2 ASP A 89 -16.013 -10.484 7.536 1.00 0.00 O ATOM 0 H ASP A 89 -15.230 -10.708 2.857 1.00 0.00 H new ATOM 0 HA ASP A 89 -13.823 -10.876 5.390 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -16.190 -10.060 5.070 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -16.639 -11.705 4.665 1.00 0.00 H new ATOM 1327 N GLY A 90 -13.027 -13.143 4.889 1.00 0.00 N ATOM 1328 CA GLY A 90 -12.563 -14.506 5.023 1.00 0.00 C ATOM 1329 C GLY A 90 -11.050 -14.529 5.050 1.00 0.00 C ATOM 1330 O GLY A 90 -10.431 -13.477 5.164 1.00 0.00 O ATOM 0 H GLY A 90 -12.283 -12.447 4.932 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -12.959 -14.947 5.938 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -12.931 -15.109 4.193 1.00 0.00 H new ATOM 1334 N ASP A 91 -10.444 -15.706 5.008 1.00 0.00 N ATOM 1335 CA ASP A 91 -8.989 -15.800 4.866 1.00 0.00 C ATOM 1336 C ASP A 91 -8.623 -16.168 3.431 1.00 0.00 C ATOM 1337 O ASP A 91 -7.501 -15.948 2.975 1.00 0.00 O ATOM 1338 CB ASP A 91 -8.421 -16.835 5.838 1.00 0.00 C ATOM 1339 CG ASP A 91 -7.225 -16.310 6.610 1.00 0.00 C ATOM 1340 OD1 ASP A 91 -7.435 -15.634 7.639 1.00 0.00 O ATOM 1341 OD2 ASP A 91 -6.072 -16.576 6.205 1.00 0.00 O ATOM 0 H ASP A 91 -10.926 -16.603 5.069 1.00 0.00 H new ATOM 0 HA ASP A 91 -8.554 -14.829 5.102 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -9.199 -17.136 6.540 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -8.129 -17.727 5.284 1.00 0.00 H new ATOM 1346 N HIS A 92 -9.597 -16.735 2.736 1.00 0.00 N ATOM 1347 CA HIS A 92 -9.425 -17.241 1.374 1.00 0.00 C ATOM 1348 C HIS A 92 -10.118 -16.328 0.365 1.00 0.00 C ATOM 1349 O HIS A 92 -10.836 -16.801 -0.515 1.00 0.00 O ATOM 1350 CB HIS A 92 -9.972 -18.679 1.265 1.00 0.00 C ATOM 1351 CG HIS A 92 -11.396 -18.844 1.727 1.00 0.00 C ATOM 1352 ND1 HIS A 92 -11.729 -19.284 2.989 1.00 0.00 N ATOM 1353 CD2 HIS A 92 -12.571 -18.627 1.089 1.00 0.00 C ATOM 1354 CE1 HIS A 92 -13.043 -19.328 3.107 1.00 0.00 C ATOM 1355 NE2 HIS A 92 -13.580 -18.933 1.969 1.00 0.00 N ATOM 0 H HIS A 92 -10.541 -16.860 3.102 1.00 0.00 H new ATOM 0 HA HIS A 92 -8.360 -17.254 1.144 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -9.901 -19.003 0.227 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.335 -19.342 1.850 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.692 -18.277 0.074 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -13.587 -19.636 3.988 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -14.579 -18.866 1.775 1.00 0.00 H new ATOM 1364 N ASP A 93 -9.852 -15.030 0.443 1.00 0.00 N ATOM 1365 CA ASP A 93 -10.757 -14.065 -0.173 1.00 0.00 C ATOM 1366 C ASP A 93 -10.076 -12.788 -0.635 1.00 0.00 C ATOM 1367 O ASP A 93 -9.996 -11.816 0.104 1.00 0.00 O ATOM 1368 CB ASP A 93 -11.908 -13.721 0.780 1.00 0.00 C ATOM 1369 CG ASP A 93 -12.962 -14.806 0.842 1.00 0.00 C ATOM 1370 OD1 ASP A 93 -13.803 -14.871 -0.079 1.00 0.00 O ATOM 1371 OD2 ASP A 93 -12.951 -15.606 1.802 1.00 0.00 O ATOM 0 H ASP A 93 -9.041 -14.628 0.913 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.142 -14.554 -1.068 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.508 -13.552 1.780 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.372 -12.788 0.460 1.00 0.00 H new ATOM 1376 N ILE A 94 -9.606 -12.776 -1.871 1.00 0.00 N ATOM 1377 CA ILE A 94 -9.117 -11.541 -2.466 1.00 0.00 C ATOM 1378 C ILE A 94 -10.062 -11.094 -3.553 1.00 0.00 C ATOM 1379 O ILE A 94 -10.186 -11.741 -4.581 1.00 0.00 O ATOM 1380 CB ILE A 94 -7.708 -11.672 -3.076 1.00 0.00 C ATOM 1381 CG1 ILE A 94 -6.714 -12.192 -2.048 1.00 0.00 C ATOM 1382 CG2 ILE A 94 -7.236 -10.336 -3.626 1.00 0.00 C ATOM 1383 CD1 ILE A 94 -6.255 -13.596 -2.336 1.00 0.00 C ATOM 0 H ILE A 94 -9.552 -13.595 -2.476 1.00 0.00 H new ATOM 0 HA ILE A 94 -9.062 -10.813 -1.657 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.765 -12.390 -3.894 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.848 -11.530 -2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -7.171 -12.160 -1.059 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.239 -10.450 -4.052 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.925 -9.997 -4.400 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.205 -9.602 -2.821 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.548 -13.912 -1.569 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -7.114 -14.267 -2.336 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.770 -13.627 -3.312 1.00 0.00 H new ATOM 1395 N ASP A 95 -10.724 -9.988 -3.339 1.00 0.00 N ATOM 1396 CA ASP A 95 -11.622 -9.476 -4.340 1.00 0.00 C ATOM 1397 C ASP A 95 -10.874 -8.460 -5.169 1.00 0.00 C ATOM 1398 O ASP A 95 -10.086 -7.682 -4.642 1.00 0.00 O ATOM 1399 CB ASP A 95 -12.852 -8.854 -3.690 1.00 0.00 C ATOM 1400 CG ASP A 95 -13.948 -8.550 -4.692 1.00 0.00 C ATOM 1401 OD1 ASP A 95 -13.955 -7.437 -5.252 1.00 0.00 O ATOM 1402 OD2 ASP A 95 -14.809 -9.427 -4.924 1.00 0.00 O ATOM 0 H ASP A 95 -10.660 -9.428 -2.489 1.00 0.00 H new ATOM 0 HA ASP A 95 -11.971 -10.286 -4.980 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.238 -9.532 -2.929 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -12.564 -7.934 -3.181 1.00 0.00 H new ATOM 1407 N CYS A 96 -11.084 -8.483 -6.461 1.00 0.00 N ATOM 1408 CA CYS A 96 -10.314 -7.636 -7.342 1.00 0.00 C ATOM 1409 C CYS A 96 -11.132 -7.194 -8.539 1.00 0.00 C ATOM 1410 O CYS A 96 -12.101 -7.847 -8.919 1.00 0.00 O ATOM 1411 CB CYS A 96 -9.057 -8.371 -7.798 1.00 0.00 C ATOM 1412 SG CYS A 96 -9.378 -9.947 -8.623 1.00 0.00 S ATOM 0 H CYS A 96 -11.775 -9.073 -6.925 1.00 0.00 H new ATOM 0 HA CYS A 96 -10.027 -6.741 -6.790 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -8.498 -7.726 -8.476 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -8.420 -8.550 -6.932 1.00 0.00 H new ATOM 0 HG CYS A 96 -10.560 -10.377 -8.293 1.00 0.00 H new ATOM 1418 N LYS A 97 -10.732 -6.083 -9.129 1.00 0.00 N ATOM 1419 CA LYS A 97 -11.410 -5.557 -10.294 1.00 0.00 C ATOM 1420 C LYS A 97 -10.459 -5.564 -11.477 1.00 0.00 C ATOM 1421 O LYS A 97 -9.326 -5.089 -11.378 1.00 0.00 O ATOM 1422 CB LYS A 97 -11.916 -4.136 -10.023 1.00 0.00 C ATOM 1423 CG LYS A 97 -13.372 -3.915 -10.410 1.00 0.00 C ATOM 1424 CD LYS A 97 -13.586 -3.906 -11.918 1.00 0.00 C ATOM 1425 CE LYS A 97 -12.919 -2.707 -12.580 1.00 0.00 C ATOM 1426 NZ LYS A 97 -13.428 -2.476 -13.961 1.00 0.00 N ATOM 0 H LYS A 97 -9.936 -5.526 -8.817 1.00 0.00 H new ATOM 0 HA LYS A 97 -12.271 -6.186 -10.522 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -11.794 -3.914 -8.963 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -11.293 -3.429 -10.571 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -13.985 -4.699 -9.965 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -13.714 -2.968 -9.993 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -13.187 -4.825 -12.347 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -14.655 -3.891 -12.133 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.093 -1.816 -11.976 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -11.841 -2.864 -12.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -12.787 -1.829 -14.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -13.475 -3.382 -14.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -14.378 -2.055 -13.915 1.00 0.00 H new ATOM 1440 N ILE A 98 -10.920 -6.108 -12.585 1.00 0.00 N ATOM 1441 CA ILE A 98 -10.114 -6.182 -13.786 1.00 0.00 C ATOM 1442 C ILE A 98 -10.819 -5.438 -14.901 1.00 0.00 C ATOM 1443 O ILE A 98 -11.862 -5.883 -15.387 1.00 0.00 O ATOM 1444 CB ILE A 98 -9.852 -7.637 -14.241 1.00 0.00 C ATOM 1445 CG1 ILE A 98 -9.149 -8.445 -13.149 1.00 0.00 C ATOM 1446 CG2 ILE A 98 -9.027 -7.657 -15.513 1.00 0.00 C ATOM 1447 CD1 ILE A 98 -10.101 -9.155 -12.219 1.00 0.00 C ATOM 0 H ILE A 98 -11.854 -6.507 -12.678 1.00 0.00 H new ATOM 0 HA ILE A 98 -9.148 -5.731 -13.558 1.00 0.00 H new ATOM 0 HB ILE A 98 -10.819 -8.100 -14.437 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -8.494 -9.180 -13.617 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -8.514 -7.778 -12.566 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -8.853 -8.689 -15.818 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -9.563 -7.131 -16.303 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.071 -7.165 -15.334 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -9.534 -9.708 -11.470 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -10.739 -8.423 -11.724 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -10.719 -9.848 -12.790 1.00 0.00 H new ATOM 1459 N ASP A 99 -10.271 -4.301 -15.294 1.00 0.00 N ATOM 1460 CA ASP A 99 -10.908 -3.483 -16.313 1.00 0.00 C ATOM 1461 C ASP A 99 -10.780 -4.147 -17.671 1.00 0.00 C ATOM 1462 O ASP A 99 -9.749 -4.046 -18.338 1.00 0.00 O ATOM 1463 CB ASP A 99 -10.310 -2.084 -16.355 1.00 0.00 C ATOM 1464 CG ASP A 99 -11.384 -1.015 -16.380 1.00 0.00 C ATOM 1465 OD1 ASP A 99 -11.860 -0.622 -15.291 1.00 0.00 O ATOM 1466 OD2 ASP A 99 -11.777 -0.577 -17.483 1.00 0.00 O ATOM 0 H ASP A 99 -9.396 -3.926 -14.928 1.00 0.00 H new ATOM 0 HA ASP A 99 -11.963 -3.389 -16.057 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -9.670 -1.936 -15.486 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -9.678 -1.985 -17.237 1.00 0.00 H new ATOM 1471 N GLY A 100 -11.828 -4.846 -18.056 1.00 0.00 N ATOM 1472 CA GLY A 100 -11.822 -5.586 -19.294 1.00 0.00 C ATOM 1473 C GLY A 100 -12.900 -6.643 -19.294 1.00 0.00 C ATOM 1474 O GLY A 100 -13.573 -6.861 -20.301 1.00 0.00 O ATOM 0 H GLY A 100 -12.696 -4.915 -17.525 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.975 -4.904 -20.131 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.848 -6.054 -19.438 1.00 0.00 H new ATOM 1478 N ILE A 101 -13.063 -7.299 -18.153 1.00 0.00 N ATOM 1479 CA ILE A 101 -14.133 -8.272 -17.975 1.00 0.00 C ATOM 1480 C ILE A 101 -15.010 -7.880 -16.790 1.00 0.00 C ATOM 1481 O ILE A 101 -16.230 -8.034 -16.825 1.00 0.00 O ATOM 1482 CB ILE A 101 -13.597 -9.709 -17.759 1.00 0.00 C ATOM 1483 CG1 ILE A 101 -12.703 -9.781 -16.515 1.00 0.00 C ATOM 1484 CG2 ILE A 101 -12.837 -10.185 -18.989 1.00 0.00 C ATOM 1485 CD1 ILE A 101 -12.373 -11.193 -16.085 1.00 0.00 C ATOM 0 H ILE A 101 -12.467 -7.175 -17.335 1.00 0.00 H new ATOM 0 HA ILE A 101 -14.718 -8.268 -18.895 1.00 0.00 H new ATOM 0 HB ILE A 101 -14.451 -10.368 -17.601 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -11.775 -9.245 -16.714 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -13.199 -9.266 -15.692 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -12.468 -11.196 -18.820 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -13.503 -10.182 -19.852 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -11.996 -9.518 -19.177 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -11.738 -11.165 -15.200 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -13.294 -11.728 -15.854 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -11.849 -11.706 -16.891 1.00 0.00 H new ATOM 1497 N GLY A 102 -14.376 -7.359 -15.748 1.00 0.00 N ATOM 1498 CA GLY A 102 -15.092 -6.958 -14.561 1.00 0.00 C ATOM 1499 C GLY A 102 -14.350 -7.359 -13.308 1.00 0.00 C ATOM 1500 O GLY A 102 -13.128 -7.459 -13.313 1.00 0.00 O ATOM 0 H GLY A 102 -13.368 -7.207 -15.708 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.238 -5.878 -14.570 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -16.082 -7.413 -14.561 1.00 0.00 H new ATOM 1504 N ALA A 103 -15.080 -7.602 -12.239 1.00 0.00 N ATOM 1505 CA ALA A 103 -14.474 -7.980 -10.973 1.00 0.00 C ATOM 1506 C ALA A 103 -14.356 -9.497 -10.862 1.00 0.00 C ATOM 1507 O ALA A 103 -15.171 -10.236 -11.421 1.00 0.00 O ATOM 1508 CB ALA A 103 -15.286 -7.419 -9.817 1.00 0.00 C ATOM 0 H ALA A 103 -16.098 -7.545 -12.219 1.00 0.00 H new ATOM 0 HA ALA A 103 -13.469 -7.560 -10.930 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -14.823 -7.708 -8.873 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -15.317 -6.332 -9.888 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -16.301 -7.814 -9.860 1.00 0.00 H new ATOM 1514 N MET A 104 -13.334 -9.957 -10.155 1.00 0.00 N ATOM 1515 CA MET A 104 -13.098 -11.384 -9.978 1.00 0.00 C ATOM 1516 C MET A 104 -12.634 -11.668 -8.553 1.00 0.00 C ATOM 1517 O MET A 104 -12.167 -10.765 -7.857 1.00 0.00 O ATOM 1518 CB MET A 104 -12.051 -11.868 -10.992 1.00 0.00 C ATOM 1519 CG MET A 104 -11.768 -13.362 -10.935 1.00 0.00 C ATOM 1520 SD MET A 104 -10.635 -13.909 -12.227 1.00 0.00 S ATOM 1521 CE MET A 104 -10.481 -15.647 -11.819 1.00 0.00 C ATOM 0 H MET A 104 -12.650 -9.359 -9.691 1.00 0.00 H new ATOM 0 HA MET A 104 -14.029 -11.924 -10.150 1.00 0.00 H new ATOM 0 HB2 MET A 104 -12.389 -11.612 -11.996 1.00 0.00 H new ATOM 0 HB3 MET A 104 -11.120 -11.327 -10.822 1.00 0.00 H new ATOM 0 HG2 MET A 104 -11.348 -13.611 -9.961 1.00 0.00 H new ATOM 0 HG3 MET A 104 -12.707 -13.909 -11.026 1.00 0.00 H new ATOM 0 HE1 MET A 104 -9.464 -15.854 -11.485 1.00 0.00 H new ATOM 0 HE2 MET A 104 -11.183 -15.898 -11.023 1.00 0.00 H new ATOM 0 HE3 MET A 104 -10.702 -16.249 -12.701 1.00 0.00 H new ATOM 1531 N LYS A 105 -12.776 -12.912 -8.120 1.00 0.00 N ATOM 1532 CA LYS A 105 -12.311 -13.320 -6.805 1.00 0.00 C ATOM 1533 C LYS A 105 -11.213 -14.371 -6.957 1.00 0.00 C ATOM 1534 O LYS A 105 -11.265 -15.211 -7.858 1.00 0.00 O ATOM 1535 CB LYS A 105 -13.478 -13.837 -5.957 1.00 0.00 C ATOM 1536 CG LYS A 105 -14.122 -15.110 -6.480 1.00 0.00 C ATOM 1537 CD LYS A 105 -15.624 -15.099 -6.253 1.00 0.00 C ATOM 1538 CE LYS A 105 -16.214 -16.496 -6.334 1.00 0.00 C ATOM 1539 NZ LYS A 105 -15.934 -17.285 -5.104 1.00 0.00 N ATOM 0 H LYS A 105 -13.211 -13.658 -8.663 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.892 -12.459 -6.284 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.122 -14.015 -4.942 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.239 -13.059 -5.896 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.913 -15.215 -7.545 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -13.683 -15.974 -5.982 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.841 -14.668 -5.276 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -16.100 -14.459 -6.996 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -17.291 -16.428 -6.485 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -15.803 -17.015 -7.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.477 -18.172 -5.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.918 -17.502 -5.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -16.211 -16.733 -4.267 1.00 0.00 H new ATOM 1553 N LEU A 106 -10.220 -14.312 -6.083 1.00 0.00 N ATOM 1554 CA LEU A 106 -9.007 -15.101 -6.239 1.00 0.00 C ATOM 1555 C LEU A 106 -8.709 -15.941 -5.001 1.00 0.00 C ATOM 1556 O LEU A 106 -9.010 -15.547 -3.872 1.00 0.00 O ATOM 1557 CB LEU A 106 -7.817 -14.178 -6.508 1.00 0.00 C ATOM 1558 CG LEU A 106 -7.981 -13.207 -7.677 1.00 0.00 C ATOM 1559 CD1 LEU A 106 -6.807 -12.246 -7.716 1.00 0.00 C ATOM 1560 CD2 LEU A 106 -8.099 -13.961 -8.995 1.00 0.00 C ATOM 0 H LEU A 106 -10.231 -13.721 -5.252 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.165 -15.775 -7.081 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.618 -13.600 -5.605 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.937 -14.795 -6.693 1.00 0.00 H new ATOM 0 HG LEU A 106 -8.900 -12.638 -7.533 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.929 -11.556 -8.551 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.766 -11.683 -6.783 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.881 -12.807 -7.842 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -8.215 -13.249 -9.812 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.199 -14.555 -9.156 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.967 -14.619 -8.961 1.00 0.00 H new ATOM 1572 N LYS A 107 -8.128 -17.106 -5.241 1.00 0.00 N ATOM 1573 CA LYS A 107 -7.669 -17.972 -4.173 1.00 0.00 C ATOM 1574 C LYS A 107 -6.389 -17.439 -3.558 1.00 0.00 C ATOM 1575 O LYS A 107 -5.420 -17.159 -4.264 1.00 0.00 O ATOM 1576 CB LYS A 107 -7.439 -19.400 -4.665 1.00 0.00 C ATOM 1577 CG LYS A 107 -8.679 -20.277 -4.641 1.00 0.00 C ATOM 1578 CD LYS A 107 -9.602 -20.004 -5.816 1.00 0.00 C ATOM 1579 CE LYS A 107 -10.877 -20.826 -5.718 1.00 0.00 C ATOM 1580 NZ LYS A 107 -10.600 -22.282 -5.578 1.00 0.00 N ATOM 0 H LYS A 107 -7.963 -17.474 -6.178 1.00 0.00 H new ATOM 0 HA LYS A 107 -8.454 -17.988 -3.417 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.054 -19.363 -5.684 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -6.668 -19.864 -4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.380 -21.325 -4.653 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -9.221 -20.111 -3.710 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.852 -18.943 -5.847 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.087 -20.237 -6.748 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -11.462 -20.486 -4.863 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -11.485 -20.658 -6.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -11.480 -22.818 -5.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -9.900 -22.572 -6.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.226 -22.474 -4.627 1.00 0.00 H new ATOM 1594 N SER A 108 -6.401 -17.318 -2.240 1.00 0.00 N ATOM 1595 CA SER A 108 -5.237 -16.890 -1.478 1.00 0.00 C ATOM 1596 C SER A 108 -4.032 -17.758 -1.822 1.00 0.00 C ATOM 1597 O SER A 108 -2.912 -17.271 -1.985 1.00 0.00 O ATOM 1598 CB SER A 108 -5.564 -16.992 0.017 1.00 0.00 C ATOM 1599 OG SER A 108 -4.432 -16.753 0.830 1.00 0.00 O ATOM 0 H SER A 108 -7.221 -17.514 -1.666 1.00 0.00 H new ATOM 0 HA SER A 108 -4.990 -15.858 -1.728 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.346 -16.274 0.266 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.961 -17.984 0.233 1.00 0.00 H new ATOM 0 HG SER A 108 -3.864 -16.075 0.408 1.00 0.00 H new ATOM 1605 N GLU A 109 -4.286 -19.047 -1.957 1.00 0.00 N ATOM 1606 CA GLU A 109 -3.248 -20.022 -2.232 1.00 0.00 C ATOM 1607 C GLU A 109 -2.620 -19.854 -3.615 1.00 0.00 C ATOM 1608 O GLU A 109 -1.596 -20.472 -3.906 1.00 0.00 O ATOM 1609 CB GLU A 109 -3.839 -21.424 -2.095 1.00 0.00 C ATOM 1610 CG GLU A 109 -4.980 -21.677 -3.063 1.00 0.00 C ATOM 1611 CD GLU A 109 -5.860 -22.837 -2.657 1.00 0.00 C ATOM 1612 OE1 GLU A 109 -5.465 -24.002 -2.875 1.00 0.00 O ATOM 1613 OE2 GLU A 109 -6.951 -22.587 -2.106 1.00 0.00 O ATOM 0 H GLU A 109 -5.221 -19.448 -1.879 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.448 -19.865 -1.508 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -3.055 -22.162 -2.263 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -4.196 -21.565 -1.075 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -5.589 -20.777 -3.139 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -4.571 -21.870 -4.055 1.00 0.00 H new ATOM 1620 N PHE A 110 -3.216 -19.053 -4.487 1.00 0.00 N ATOM 1621 CA PHE A 110 -2.657 -18.890 -5.819 1.00 0.00 C ATOM 1622 C PHE A 110 -2.096 -17.495 -6.056 1.00 0.00 C ATOM 1623 O PHE A 110 -1.641 -17.197 -7.156 1.00 0.00 O ATOM 1624 CB PHE A 110 -3.719 -19.202 -6.873 1.00 0.00 C ATOM 1625 CG PHE A 110 -4.007 -20.670 -7.024 1.00 0.00 C ATOM 1626 CD1 PHE A 110 -3.187 -21.471 -7.797 1.00 0.00 C ATOM 1627 CD2 PHE A 110 -5.096 -21.246 -6.397 1.00 0.00 C ATOM 1628 CE1 PHE A 110 -3.446 -22.819 -7.940 1.00 0.00 C ATOM 1629 CE2 PHE A 110 -5.362 -22.594 -6.537 1.00 0.00 C ATOM 1630 CZ PHE A 110 -4.535 -23.381 -7.309 1.00 0.00 C ATOM 0 H PHE A 110 -4.065 -18.519 -4.303 1.00 0.00 H new ATOM 0 HA PHE A 110 -1.827 -19.591 -5.902 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -4.642 -18.685 -6.610 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.393 -18.804 -7.834 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -2.333 -21.036 -8.295 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -5.747 -20.634 -5.790 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -2.796 -23.433 -8.546 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -6.217 -23.031 -6.042 1.00 0.00 H new ATOM 0 HZ PHE A 110 -4.740 -24.436 -7.419 1.00 0.00 H new ATOM 1640 N VAL A 111 -2.083 -16.645 -5.042 1.00 0.00 N ATOM 1641 CA VAL A 111 -1.680 -15.259 -5.263 1.00 0.00 C ATOM 1642 C VAL A 111 -0.389 -14.906 -4.541 1.00 0.00 C ATOM 1643 O VAL A 111 0.131 -15.687 -3.735 1.00 0.00 O ATOM 1644 CB VAL A 111 -2.782 -14.260 -4.851 1.00 0.00 C ATOM 1645 CG1 VAL A 111 -4.066 -14.538 -5.613 1.00 0.00 C ATOM 1646 CG2 VAL A 111 -3.023 -14.307 -3.351 1.00 0.00 C ATOM 0 H VAL A 111 -2.338 -16.877 -4.082 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.510 -15.175 -6.336 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.444 -13.256 -5.105 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.831 -13.824 -5.309 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.883 -14.440 -6.683 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.407 -15.550 -5.394 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.804 -13.594 -3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.335 -15.311 -3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -2.103 -14.049 -2.826 1.00 0.00 H new ATOM 1656 N ARG A 112 0.131 -13.732 -4.876 1.00 0.00 N ATOM 1657 CA ARG A 112 1.329 -13.192 -4.258 1.00 0.00 C ATOM 1658 C ARG A 112 1.264 -11.675 -4.199 1.00 0.00 C ATOM 1659 O ARG A 112 0.764 -11.029 -5.116 1.00 0.00 O ATOM 1660 CB ARG A 112 2.586 -13.613 -5.023 1.00 0.00 C ATOM 1661 CG ARG A 112 3.728 -12.615 -4.894 1.00 0.00 C ATOM 1662 CD ARG A 112 5.079 -13.213 -5.226 1.00 0.00 C ATOM 1663 NE ARG A 112 6.062 -12.161 -5.489 1.00 0.00 N ATOM 1664 CZ ARG A 112 7.376 -12.359 -5.598 1.00 0.00 C ATOM 1665 NH1 ARG A 112 7.896 -13.561 -5.385 1.00 0.00 N ATOM 1666 NH2 ARG A 112 8.176 -11.341 -5.897 1.00 0.00 N ATOM 0 H ARG A 112 -0.272 -13.125 -5.590 1.00 0.00 H new ATOM 0 HA ARG A 112 1.382 -13.593 -3.246 1.00 0.00 H new ATOM 0 HB2 ARG A 112 2.918 -14.585 -4.657 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.338 -13.737 -6.077 1.00 0.00 H new ATOM 0 HG2 ARG A 112 3.540 -11.769 -5.555 1.00 0.00 H new ATOM 0 HG3 ARG A 112 3.750 -12.226 -3.876 1.00 0.00 H new ATOM 0 HD2 ARG A 112 5.419 -13.836 -4.399 1.00 0.00 H new ATOM 0 HD3 ARG A 112 4.991 -13.861 -6.098 1.00 0.00 H new ATOM 0 HE ARG A 112 5.717 -11.207 -5.597 1.00 0.00 H new ATOM 0 HH11 ARG A 112 7.289 -14.342 -5.136 1.00 0.00 H new ATOM 0 HH12 ARG A 112 8.902 -13.704 -5.471 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.785 -10.410 -6.043 1.00 0.00 H new ATOM 0 HH22 ARG A 112 9.182 -11.490 -5.981 1.00 0.00 H new ATOM 1680 N LYS A 113 1.771 -11.122 -3.112 1.00 0.00 N ATOM 1681 CA LYS A 113 1.897 -9.686 -2.968 1.00 0.00 C ATOM 1682 C LYS A 113 2.891 -9.089 -3.965 1.00 0.00 C ATOM 1683 O LYS A 113 3.943 -9.667 -4.252 1.00 0.00 O ATOM 1684 CB LYS A 113 2.332 -9.340 -1.543 1.00 0.00 C ATOM 1685 CG LYS A 113 3.256 -8.136 -1.478 1.00 0.00 C ATOM 1686 CD LYS A 113 3.363 -7.562 -0.080 1.00 0.00 C ATOM 1687 CE LYS A 113 2.209 -6.625 0.209 1.00 0.00 C ATOM 1688 NZ LYS A 113 0.911 -7.339 0.317 1.00 0.00 N ATOM 0 H LYS A 113 2.105 -11.654 -2.309 1.00 0.00 H new ATOM 0 HA LYS A 113 0.918 -9.253 -3.176 1.00 0.00 H new ATOM 0 HB2 LYS A 113 1.447 -9.145 -0.937 1.00 0.00 H new ATOM 0 HB3 LYS A 113 2.836 -10.201 -1.104 1.00 0.00 H new ATOM 0 HG2 LYS A 113 4.248 -8.424 -1.826 1.00 0.00 H new ATOM 0 HG3 LYS A 113 2.891 -7.365 -2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 113 3.371 -8.371 0.650 1.00 0.00 H new ATOM 0 HD3 LYS A 113 4.307 -7.027 0.027 1.00 0.00 H new ATOM 0 HE2 LYS A 113 2.404 -6.089 1.138 1.00 0.00 H new ATOM 0 HE3 LYS A 113 2.145 -5.878 -0.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 0.255 -6.978 -0.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 1.062 -8.357 0.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 0.506 -7.182 1.262 1.00 0.00 H new ATOM 1702 N VAL A 114 2.537 -7.926 -4.482 1.00 0.00 N ATOM 1703 CA VAL A 114 3.453 -7.121 -5.284 1.00 0.00 C ATOM 1704 C VAL A 114 3.899 -5.897 -4.493 1.00 0.00 C ATOM 1705 O VAL A 114 5.090 -5.688 -4.269 1.00 0.00 O ATOM 1706 CB VAL A 114 2.814 -6.653 -6.609 1.00 0.00 C ATOM 1707 CG1 VAL A 114 3.776 -5.779 -7.401 1.00 0.00 C ATOM 1708 CG2 VAL A 114 2.383 -7.843 -7.437 1.00 0.00 C ATOM 0 H VAL A 114 1.613 -7.511 -4.361 1.00 0.00 H new ATOM 0 HA VAL A 114 4.307 -7.754 -5.524 1.00 0.00 H new ATOM 0 HB VAL A 114 1.934 -6.057 -6.367 1.00 0.00 H new ATOM 0 HG11 VAL A 114 3.300 -5.463 -8.330 1.00 0.00 H new ATOM 0 HG12 VAL A 114 4.039 -4.901 -6.811 1.00 0.00 H new ATOM 0 HG13 VAL A 114 4.678 -6.346 -7.630 1.00 0.00 H new ATOM 0 HG21 VAL A 114 1.935 -7.495 -8.368 1.00 0.00 H new ATOM 0 HG22 VAL A 114 3.251 -8.463 -7.662 1.00 0.00 H new ATOM 0 HG23 VAL A 114 1.653 -8.429 -6.879 1.00 0.00 H new ATOM 1718 N GLY A 115 2.932 -5.093 -4.067 1.00 0.00 N ATOM 1719 CA GLY A 115 3.240 -3.908 -3.290 1.00 0.00 C ATOM 1720 C GLY A 115 3.381 -2.664 -4.148 1.00 0.00 C ATOM 1721 O GLY A 115 3.577 -1.565 -3.628 1.00 0.00 O ATOM 0 H GLY A 115 1.939 -5.241 -4.246 1.00 0.00 H new ATOM 0 HA2 GLY A 115 2.454 -3.748 -2.552 1.00 0.00 H new ATOM 0 HA3 GLY A 115 4.166 -4.071 -2.739 1.00 0.00 H new ATOM 1725 N SER A 116 3.281 -2.831 -5.459 1.00 0.00 N ATOM 1726 CA SER A 116 3.422 -1.717 -6.385 1.00 0.00 C ATOM 1727 C SER A 116 2.355 -1.794 -7.474 1.00 0.00 C ATOM 1728 O SER A 116 2.494 -2.628 -8.387 1.00 0.00 O ATOM 1729 CB SER A 116 4.822 -1.719 -7.008 1.00 0.00 C ATOM 1730 OG SER A 116 5.827 -1.690 -6.004 1.00 0.00 O ATOM 1731 OXT SER A 116 1.370 -1.026 -7.402 1.00 0.00 O ATOM 0 H SER A 116 3.102 -3.730 -5.906 1.00 0.00 H new ATOM 0 HA SER A 116 3.288 -0.786 -5.834 1.00 0.00 H new ATOM 0 HB2 SER A 116 4.947 -2.607 -7.627 1.00 0.00 H new ATOM 0 HB3 SER A 116 4.933 -0.855 -7.664 1.00 0.00 H new ATOM 0 HG SER A 116 6.711 -1.693 -6.426 1.00 0.00 H new TER 1737 SER A 116 HETATM 1738 ZN ZN A 117 -3.688 17.775 14.914 1.00 0.00 ZN