USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 775 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 95 LYS NZ :NH3+ 163:sc= 0.689 (180deg=0) USER MOD Set 1.2: A 98 THR OG1 : rot 95:sc= 0.475 USER MOD Set 2.1: A 22 THR OG1 : rot -154:sc= 1 USER MOD Set 2.2: A 79 LYS NZ :NH3+ -150:sc= 0.855 (180deg=-0.148) USER MOD Set 3.1: A 34 LYS NZ :NH3+ 131:sc= 1.22 (180deg=-0.18) USER MOD Set 3.2: A 43 TYR OH : rot 180:sc= 1.03 USER MOD Set 4.1: A 8 HIS : no HD1:sc= 0.947 K(o=2.7,f=-6.9!) USER MOD Set 4.2: A 24 TYR OH : rot -33:sc= 1.51 USER MOD Set 4.3: A 26 THR OG1 : rot -75:sc= 0.243 USER MOD Single : A 6 MET CE :methyl 148:sc= -0.347 (180deg=-1.36!) USER MOD Single : A 7 ASN : amide:sc= 1.23 K(o=1.2,f=-0.12) USER MOD Single : A 9 TYR OH : rot 77:sc= 0.932 USER MOD Single : A 11 TYR OH : rot 180:sc= -0.251 USER MOD Single : A 15 CYS SG : rot 40:sc= 0.0653 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -172:sc= -1.79! USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0354) USER MOD Single : A 35 HIS : no HD1:sc= -0.566 X(o=-0.57,f=-0.072) USER MOD Single : A 37 SER OG : rot 73:sc= 0.305 USER MOD Single : A 39 LYS NZ :NH3+ 166:sc= -0.0479 (180deg=-0.282) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -42:sc= 0.896 USER MOD Single : A 55 THR OG1 : rot 0:sc= -1.47! USER MOD Single : A 60 SER OG : rot 174:sc= -1.34 USER MOD Single : A 61 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0314) USER MOD Single : A 65 MET CE :methyl 168:sc= -1.41 (180deg=-1.69) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00935) USER MOD Single : A 73 HIS : no HD1:sc= -0.0692 X(o=-0.069,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.16 F(o=-1.3,f=-0.16) USER MOD Single : A 84 SER OG : rot 75:sc= 0.841 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 31:sc= -0.977 USER MOD Single : A 92 ASN :FLIP amide:sc= -0.48 F(o=-5.2!,f=-0.48) USER MOD Single : A 93 THR OG1 : rot 14:sc= 0.652 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot -5:sc= 0.932 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 1.947 -17.575 -5.500 1.00 0.00 N ATOM 2 CA MET A 6 1.769 -16.251 -6.130 1.00 0.00 C ATOM 3 C MET A 6 2.421 -15.098 -5.355 1.00 0.00 C ATOM 4 O MET A 6 2.546 -15.120 -4.134 1.00 0.00 O ATOM 5 CB MET A 6 0.276 -15.964 -6.385 1.00 0.00 C ATOM 6 CG MET A 6 -0.520 -15.598 -5.140 1.00 0.00 C ATOM 7 SD MET A 6 -2.265 -16.039 -5.253 1.00 0.00 S ATOM 8 CE MET A 6 -2.147 -17.818 -5.452 1.00 0.00 C ATOM 0 HA MET A 6 2.295 -16.302 -7.083 1.00 0.00 H new ATOM 0 HB2 MET A 6 0.194 -15.150 -7.105 1.00 0.00 H new ATOM 0 HB3 MET A 6 -0.176 -16.843 -6.844 1.00 0.00 H new ATOM 0 HG2 MET A 6 -0.081 -16.098 -4.277 1.00 0.00 H new ATOM 0 HG3 MET A 6 -0.434 -14.526 -4.965 1.00 0.00 H new ATOM 0 HE1 MET A 6 -3.011 -18.294 -4.989 1.00 0.00 H new ATOM 0 HE2 MET A 6 -2.122 -18.065 -6.513 1.00 0.00 H new ATOM 0 HE3 MET A 6 -1.236 -18.178 -4.975 1.00 0.00 H new ATOM 18 N ASN A 7 2.853 -14.081 -6.090 1.00 0.00 N ATOM 19 CA ASN A 7 3.424 -12.893 -5.470 1.00 0.00 C ATOM 20 C ASN A 7 2.309 -11.933 -5.084 1.00 0.00 C ATOM 21 O ASN A 7 1.236 -11.944 -5.687 1.00 0.00 O ATOM 22 CB ASN A 7 4.419 -12.197 -6.407 1.00 0.00 C ATOM 23 CG ASN A 7 5.571 -13.098 -6.819 1.00 0.00 C ATOM 24 OD1 ASN A 7 6.551 -13.241 -6.091 1.00 0.00 O ATOM 25 ND2 ASN A 7 5.482 -13.675 -8.010 1.00 0.00 N ATOM 0 H ASN A 7 2.819 -14.055 -7.109 1.00 0.00 H new ATOM 0 HA ASN A 7 3.968 -13.200 -4.577 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.893 -11.857 -7.299 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.816 -11.310 -5.913 1.00 0.00 H new ATOM 0 HD21 ASN A 7 6.244 -14.262 -8.351 1.00 0.00 H new ATOM 0 HD22 ASN A 7 4.652 -13.532 -8.585 1.00 0.00 H new ATOM 32 N HIS A 8 2.551 -11.118 -4.071 1.00 0.00 N ATOM 33 CA HIS A 8 1.534 -10.206 -3.567 1.00 0.00 C ATOM 34 C HIS A 8 2.107 -8.797 -3.470 1.00 0.00 C ATOM 35 O HIS A 8 2.965 -8.531 -2.633 1.00 0.00 O ATOM 36 CB HIS A 8 1.039 -10.669 -2.192 1.00 0.00 C ATOM 37 CG HIS A 8 0.591 -12.105 -2.151 1.00 0.00 C ATOM 38 ND1 HIS A 8 -0.725 -12.495 -2.266 1.00 0.00 N ATOM 39 CD2 HIS A 8 1.307 -13.247 -2.017 1.00 0.00 C ATOM 40 CE1 HIS A 8 -0.797 -13.814 -2.209 1.00 0.00 C ATOM 41 NE2 HIS A 8 0.426 -14.297 -2.060 1.00 0.00 N ATOM 0 H HIS A 8 3.444 -11.068 -3.580 1.00 0.00 H new ATOM 0 HA HIS A 8 0.690 -10.202 -4.257 1.00 0.00 H new ATOM 0 HB2 HIS A 8 1.838 -10.528 -1.464 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.210 -10.032 -1.883 1.00 0.00 H new ATOM 0 HD2 HIS A 8 2.378 -13.318 -1.898 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -1.702 -14.399 -2.273 1.00 0.00 H new ATOM 0 HE2 HIS A 8 0.672 -15.284 -1.989 1.00 0.00 H new ATOM 50 N TYR A 9 1.635 -7.899 -4.322 1.00 0.00 N ATOM 51 CA TYR A 9 2.217 -6.567 -4.419 1.00 0.00 C ATOM 52 C TYR A 9 1.432 -5.552 -3.595 1.00 0.00 C ATOM 53 O TYR A 9 0.206 -5.647 -3.472 1.00 0.00 O ATOM 54 CB TYR A 9 2.241 -6.086 -5.874 1.00 0.00 C ATOM 55 CG TYR A 9 2.651 -7.130 -6.893 1.00 0.00 C ATOM 56 CD1 TYR A 9 3.880 -7.776 -6.819 1.00 0.00 C ATOM 57 CD2 TYR A 9 1.801 -7.457 -7.942 1.00 0.00 C ATOM 58 CE1 TYR A 9 4.246 -8.719 -7.766 1.00 0.00 C ATOM 59 CE2 TYR A 9 2.162 -8.393 -8.891 1.00 0.00 C ATOM 60 CZ TYR A 9 3.382 -9.021 -8.802 1.00 0.00 C ATOM 61 OH TYR A 9 3.741 -9.950 -9.753 1.00 0.00 O ATOM 0 H TYR A 9 0.853 -8.067 -4.955 1.00 0.00 H new ATOM 0 HA TYR A 9 3.233 -6.641 -4.032 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.249 -5.718 -6.134 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.925 -5.240 -5.949 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.558 -7.540 -6.013 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.840 -6.970 -8.017 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.202 -9.216 -7.695 1.00 0.00 H new ATOM 0 HE2 TYR A 9 1.488 -8.631 -9.701 1.00 0.00 H new ATOM 0 HH TYR A 9 3.632 -10.852 -9.386 1.00 0.00 H new ATOM 71 N VAL A 10 2.151 -4.585 -3.037 1.00 0.00 N ATOM 72 CA VAL A 10 1.538 -3.422 -2.410 1.00 0.00 C ATOM 73 C VAL A 10 2.029 -2.163 -3.107 1.00 0.00 C ATOM 74 O VAL A 10 3.212 -1.818 -3.019 1.00 0.00 O ATOM 75 CB VAL A 10 1.871 -3.281 -0.902 1.00 0.00 C ATOM 76 CG1 VAL A 10 1.054 -2.153 -0.294 1.00 0.00 C ATOM 77 CG2 VAL A 10 1.637 -4.579 -0.148 1.00 0.00 C ATOM 0 H VAL A 10 3.171 -4.585 -3.007 1.00 0.00 H new ATOM 0 HA VAL A 10 0.461 -3.557 -2.504 1.00 0.00 H new ATOM 0 HB VAL A 10 2.931 -3.044 -0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.294 -2.060 0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.290 -1.218 -0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.008 -2.370 -0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.882 -4.438 0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.591 -4.870 -0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.270 -5.362 -0.566 1.00 0.00 H new ATOM 87 N TYR A 11 1.140 -1.489 -3.812 1.00 0.00 N ATOM 88 CA TYR A 11 1.504 -0.249 -4.478 1.00 0.00 C ATOM 89 C TYR A 11 0.867 0.931 -3.769 1.00 0.00 C ATOM 90 O TYR A 11 -0.226 0.814 -3.207 1.00 0.00 O ATOM 91 CB TYR A 11 1.092 -0.272 -5.960 1.00 0.00 C ATOM 92 CG TYR A 11 -0.399 -0.411 -6.194 1.00 0.00 C ATOM 93 CD1 TYR A 11 -1.216 0.710 -6.290 1.00 0.00 C ATOM 94 CD2 TYR A 11 -0.985 -1.663 -6.325 1.00 0.00 C ATOM 95 CE1 TYR A 11 -2.575 0.585 -6.501 1.00 0.00 C ATOM 96 CE2 TYR A 11 -2.343 -1.794 -6.540 1.00 0.00 C ATOM 97 CZ TYR A 11 -3.135 -0.669 -6.627 1.00 0.00 C ATOM 98 OH TYR A 11 -4.491 -0.801 -6.838 1.00 0.00 O ATOM 0 H TYR A 11 0.169 -1.774 -3.939 1.00 0.00 H new ATOM 0 HA TYR A 11 2.588 -0.145 -4.434 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.438 0.646 -6.435 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.603 -1.098 -6.454 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.781 1.694 -6.198 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.369 -2.548 -6.258 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.197 1.466 -6.567 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -2.783 -2.775 -6.640 1.00 0.00 H new ATOM 0 HH TYR A 11 -4.721 -1.751 -6.905 1.00 0.00 H new ATOM 108 N ILE A 12 1.557 2.056 -3.767 1.00 0.00 N ATOM 109 CA ILE A 12 1.004 3.269 -3.202 1.00 0.00 C ATOM 110 C ILE A 12 1.137 4.416 -4.208 1.00 0.00 C ATOM 111 O ILE A 12 2.241 4.799 -4.613 1.00 0.00 O ATOM 112 CB ILE A 12 1.655 3.611 -1.830 1.00 0.00 C ATOM 113 CG1 ILE A 12 0.830 4.659 -1.091 1.00 0.00 C ATOM 114 CG2 ILE A 12 3.083 4.101 -1.985 1.00 0.00 C ATOM 115 CD1 ILE A 12 1.296 4.903 0.333 1.00 0.00 C ATOM 0 H ILE A 12 2.498 2.154 -4.149 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.056 3.113 -3.004 1.00 0.00 H new ATOM 0 HB ILE A 12 1.676 2.689 -1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.870 5.598 -1.644 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.213 4.343 -1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.498 4.328 -1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.683 3.327 -2.463 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.094 5.001 -2.600 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.664 5.660 0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.229 3.975 0.902 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.330 5.249 0.323 1.00 0.00 H new ATOM 127 N LEU A 13 0.000 4.916 -4.656 1.00 0.00 N ATOM 128 CA LEU A 13 -0.024 5.941 -5.690 1.00 0.00 C ATOM 129 C LEU A 13 -0.530 7.270 -5.157 1.00 0.00 C ATOM 130 O LEU A 13 -1.603 7.350 -4.562 1.00 0.00 O ATOM 131 CB LEU A 13 -0.879 5.478 -6.869 1.00 0.00 C ATOM 132 CG LEU A 13 -0.263 4.358 -7.711 1.00 0.00 C ATOM 133 CD1 LEU A 13 -1.286 3.794 -8.679 1.00 0.00 C ATOM 134 CD2 LEU A 13 0.948 4.872 -8.468 1.00 0.00 C ATOM 0 H LEU A 13 -0.920 4.631 -4.322 1.00 0.00 H new ATOM 0 HA LEU A 13 1.001 6.095 -6.029 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.843 5.139 -6.489 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.074 6.334 -7.516 1.00 0.00 H new ATOM 0 HG LEU A 13 0.056 3.560 -7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.829 2.999 -9.269 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.132 3.392 -8.121 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.633 4.585 -9.344 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.375 4.064 -9.062 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.647 5.687 -9.126 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.693 5.235 -7.760 1.00 0.00 H new ATOM 146 N GLU A 14 0.258 8.303 -5.390 1.00 0.00 N ATOM 147 CA GLU A 14 -0.067 9.649 -4.958 1.00 0.00 C ATOM 148 C GLU A 14 -1.051 10.276 -5.931 1.00 0.00 C ATOM 149 O GLU A 14 -0.720 10.524 -7.092 1.00 0.00 O ATOM 150 CB GLU A 14 1.215 10.478 -4.880 1.00 0.00 C ATOM 151 CG GLU A 14 1.047 11.841 -4.234 1.00 0.00 C ATOM 152 CD GLU A 14 2.374 12.531 -4.015 1.00 0.00 C ATOM 153 OE1 GLU A 14 3.057 12.218 -3.014 1.00 0.00 O ATOM 154 OE2 GLU A 14 2.750 13.383 -4.846 1.00 0.00 O ATOM 0 H GLU A 14 1.146 8.231 -5.887 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.529 9.619 -3.971 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.963 9.915 -4.321 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.606 10.614 -5.888 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.413 12.465 -4.864 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.535 11.729 -3.278 1.00 0.00 H new ATOM 161 N CYS A 15 -2.265 10.497 -5.470 1.00 0.00 N ATOM 162 CA CYS A 15 -3.301 11.049 -6.320 1.00 0.00 C ATOM 163 C CYS A 15 -3.391 12.561 -6.144 1.00 0.00 C ATOM 164 O CYS A 15 -3.028 13.091 -5.091 1.00 0.00 O ATOM 165 CB CYS A 15 -4.642 10.393 -5.993 1.00 0.00 C ATOM 166 SG CYS A 15 -4.603 8.584 -6.019 1.00 0.00 S ATOM 0 H CYS A 15 -2.559 10.303 -4.513 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.049 10.843 -7.360 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -4.966 10.725 -5.007 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.388 10.740 -6.707 1.00 0.00 H new ATOM 0 HG CYS A 15 -3.495 8.166 -5.483 1.00 0.00 H new ATOM 172 N LYS A 16 -3.889 13.242 -7.173 1.00 0.00 N ATOM 173 CA LYS A 16 -4.063 14.699 -7.139 1.00 0.00 C ATOM 174 C LYS A 16 -5.011 15.100 -6.007 1.00 0.00 C ATOM 175 O LYS A 16 -5.026 16.249 -5.557 1.00 0.00 O ATOM 176 CB LYS A 16 -4.629 15.180 -8.477 1.00 0.00 C ATOM 177 CG LYS A 16 -4.770 16.692 -8.596 1.00 0.00 C ATOM 178 CD LYS A 16 -5.778 17.066 -9.671 1.00 0.00 C ATOM 179 CE LYS A 16 -5.466 16.394 -11.001 1.00 0.00 C ATOM 180 NZ LYS A 16 -6.538 16.628 -12.003 1.00 0.00 N ATOM 0 H LYS A 16 -4.182 12.808 -8.048 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.092 15.163 -6.963 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.983 14.824 -9.279 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.607 14.723 -8.629 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.084 17.107 -7.638 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.802 17.133 -8.832 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.778 16.780 -9.346 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.783 18.148 -9.803 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.519 16.773 -11.386 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.341 15.322 -10.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.289 16.155 -12.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.436 16.244 -11.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.640 17.649 -12.170 1.00 0.00 H new ATOM 194 N ASP A 17 -5.793 14.134 -5.546 1.00 0.00 N ATOM 195 CA ASP A 17 -6.768 14.356 -4.488 1.00 0.00 C ATOM 196 C ASP A 17 -6.090 14.480 -3.125 1.00 0.00 C ATOM 197 O ASP A 17 -6.756 14.678 -2.109 1.00 0.00 O ATOM 198 CB ASP A 17 -7.789 13.217 -4.481 1.00 0.00 C ATOM 199 CG ASP A 17 -8.502 13.081 -5.815 1.00 0.00 C ATOM 200 OD1 ASP A 17 -7.972 12.385 -6.707 1.00 0.00 O ATOM 201 OD2 ASP A 17 -9.585 13.683 -5.989 1.00 0.00 O ATOM 0 H ASP A 17 -5.769 13.176 -5.894 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.282 15.297 -4.684 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.285 12.280 -4.243 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.523 13.393 -3.694 1.00 0.00 H new ATOM 206 N GLY A 18 -4.765 14.349 -3.107 1.00 0.00 N ATOM 207 CA GLY A 18 -4.006 14.599 -1.893 1.00 0.00 C ATOM 208 C GLY A 18 -3.874 13.383 -1.005 1.00 0.00 C ATOM 209 O GLY A 18 -3.400 13.485 0.125 1.00 0.00 O ATOM 0 H GLY A 18 -4.203 14.074 -3.913 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.011 14.953 -2.162 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.487 15.399 -1.331 1.00 0.00 H new ATOM 213 N SER A 19 -4.303 12.237 -1.499 1.00 0.00 N ATOM 214 CA SER A 19 -4.224 11.010 -0.726 1.00 0.00 C ATOM 215 C SER A 19 -3.353 9.979 -1.432 1.00 0.00 C ATOM 216 O SER A 19 -3.277 9.953 -2.667 1.00 0.00 O ATOM 217 CB SER A 19 -5.629 10.452 -0.493 1.00 0.00 C ATOM 218 OG SER A 19 -6.437 11.403 0.181 1.00 0.00 O ATOM 0 H SER A 19 -4.709 12.129 -2.429 1.00 0.00 H new ATOM 0 HA SER A 19 -3.766 11.235 0.237 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.085 10.190 -1.448 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.570 9.536 0.094 1.00 0.00 H new ATOM 0 HG SER A 19 -7.333 11.031 0.321 1.00 0.00 H new ATOM 224 N TRP A 20 -2.683 9.149 -0.645 1.00 0.00 N ATOM 225 CA TRP A 20 -1.897 8.058 -1.192 1.00 0.00 C ATOM 226 C TRP A 20 -2.743 6.800 -1.264 1.00 0.00 C ATOM 227 O TRP A 20 -3.315 6.364 -0.263 1.00 0.00 O ATOM 228 CB TRP A 20 -0.646 7.796 -0.352 1.00 0.00 C ATOM 229 CG TRP A 20 0.391 8.869 -0.458 1.00 0.00 C ATOM 230 CD1 TRP A 20 0.849 9.445 -1.603 1.00 0.00 C ATOM 231 CD2 TRP A 20 1.123 9.471 0.615 1.00 0.00 C ATOM 232 NE1 TRP A 20 1.812 10.378 -1.311 1.00 0.00 N ATOM 233 CE2 TRP A 20 2.000 10.411 0.041 1.00 0.00 C ATOM 234 CE3 TRP A 20 1.122 9.310 2.003 1.00 0.00 C ATOM 235 CZ2 TRP A 20 2.866 11.187 0.806 1.00 0.00 C ATOM 236 CZ3 TRP A 20 1.985 10.079 2.762 1.00 0.00 C ATOM 237 CH2 TRP A 20 2.843 11.007 2.160 1.00 0.00 C ATOM 0 H TRP A 20 -2.669 9.212 0.373 1.00 0.00 H new ATOM 0 HA TRP A 20 -1.576 8.342 -2.194 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -0.938 7.688 0.693 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -0.206 6.847 -0.659 1.00 0.00 H new ATOM 0 HD1 TRP A 20 0.504 9.203 -2.597 1.00 0.00 H new ATOM 0 HE1 TRP A 20 2.307 10.953 -1.993 1.00 0.00 H new ATOM 0 HE3 TRP A 20 0.460 8.599 2.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 3.531 11.904 0.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 1.997 9.962 3.836 1.00 0.00 H new ATOM 0 HH2 TRP A 20 3.503 11.595 2.781 1.00 0.00 H new ATOM 248 N TYR A 21 -2.805 6.207 -2.440 1.00 0.00 N ATOM 249 CA TYR A 21 -3.655 5.055 -2.654 1.00 0.00 C ATOM 250 C TYR A 21 -2.875 3.780 -2.390 1.00 0.00 C ATOM 251 O TYR A 21 -2.059 3.353 -3.204 1.00 0.00 O ATOM 252 CB TYR A 21 -4.223 5.056 -4.076 1.00 0.00 C ATOM 253 CG TYR A 21 -5.226 3.952 -4.332 1.00 0.00 C ATOM 254 CD1 TYR A 21 -6.547 4.076 -3.914 1.00 0.00 C ATOM 255 CD2 TYR A 21 -4.853 2.788 -4.990 1.00 0.00 C ATOM 256 CE1 TYR A 21 -7.463 3.067 -4.143 1.00 0.00 C ATOM 257 CE2 TYR A 21 -5.765 1.777 -5.223 1.00 0.00 C ATOM 258 CZ TYR A 21 -7.068 1.921 -4.799 1.00 0.00 C ATOM 259 OH TYR A 21 -7.981 0.914 -5.031 1.00 0.00 O ATOM 0 H TYR A 21 -2.277 6.504 -3.261 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.492 5.105 -1.958 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.698 6.018 -4.267 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.401 4.960 -4.786 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.861 4.974 -3.403 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.833 2.671 -5.325 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.484 3.176 -3.809 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.458 0.877 -5.735 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.542 0.177 -5.505 1.00 0.00 H new ATOM 269 N THR A 22 -3.106 3.211 -1.224 1.00 0.00 N ATOM 270 CA THR A 22 -2.454 1.980 -0.824 1.00 0.00 C ATOM 271 C THR A 22 -3.331 0.789 -1.195 1.00 0.00 C ATOM 272 O THR A 22 -4.381 0.575 -0.590 1.00 0.00 O ATOM 273 CB THR A 22 -2.197 1.980 0.695 1.00 0.00 C ATOM 274 OG1 THR A 22 -1.607 3.230 1.082 1.00 0.00 O ATOM 275 CG2 THR A 22 -1.276 0.837 1.088 1.00 0.00 C ATOM 0 H THR A 22 -3.750 3.588 -0.528 1.00 0.00 H new ATOM 0 HA THR A 22 -1.499 1.904 -1.343 1.00 0.00 H new ATOM 0 HB THR A 22 -3.150 1.847 1.208 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.079 3.104 1.898 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.109 0.858 2.165 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.735 -0.112 0.810 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.322 0.944 0.571 1.00 0.00 H new ATOM 283 N GLY A 23 -2.914 0.035 -2.201 1.00 0.00 N ATOM 284 CA GLY A 23 -3.739 -1.053 -2.681 1.00 0.00 C ATOM 285 C GLY A 23 -2.991 -2.361 -2.808 1.00 0.00 C ATOM 286 O GLY A 23 -1.866 -2.402 -3.310 1.00 0.00 O ATOM 0 H GLY A 23 -2.027 0.155 -2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.581 -1.188 -2.002 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.154 -0.784 -3.652 1.00 0.00 H new ATOM 290 N TYR A 24 -3.615 -3.425 -2.325 1.00 0.00 N ATOM 291 CA TYR A 24 -3.106 -4.772 -2.501 1.00 0.00 C ATOM 292 C TYR A 24 -3.500 -5.308 -3.874 1.00 0.00 C ATOM 293 O TYR A 24 -4.640 -5.149 -4.315 1.00 0.00 O ATOM 294 CB TYR A 24 -3.657 -5.687 -1.398 1.00 0.00 C ATOM 295 CG TYR A 24 -3.522 -7.170 -1.691 1.00 0.00 C ATOM 296 CD1 TYR A 24 -2.385 -7.871 -1.316 1.00 0.00 C ATOM 297 CD2 TYR A 24 -4.533 -7.865 -2.352 1.00 0.00 C ATOM 298 CE1 TYR A 24 -2.255 -9.218 -1.596 1.00 0.00 C ATOM 299 CE2 TYR A 24 -4.410 -9.211 -2.629 1.00 0.00 C ATOM 300 CZ TYR A 24 -3.270 -9.881 -2.252 1.00 0.00 C ATOM 301 OH TYR A 24 -3.139 -11.223 -2.539 1.00 0.00 O ATOM 0 H TYR A 24 -4.488 -3.376 -1.800 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.018 -4.751 -2.433 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.139 -5.464 -0.465 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.710 -5.454 -1.241 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.590 -7.356 -0.798 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.428 -7.341 -2.653 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -1.362 -9.749 -1.302 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.205 -9.735 -3.139 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.197 -11.430 -2.714 1.00 0.00 H new ATOM 311 N THR A 25 -2.552 -5.931 -4.549 1.00 0.00 N ATOM 312 CA THR A 25 -2.825 -6.603 -5.808 1.00 0.00 C ATOM 313 C THR A 25 -1.973 -7.858 -5.929 1.00 0.00 C ATOM 314 O THR A 25 -0.771 -7.834 -5.670 1.00 0.00 O ATOM 315 CB THR A 25 -2.582 -5.666 -7.009 1.00 0.00 C ATOM 316 OG1 THR A 25 -3.448 -4.533 -6.907 1.00 0.00 O ATOM 317 CG2 THR A 25 -2.843 -6.371 -8.331 1.00 0.00 C ATOM 0 H THR A 25 -1.580 -5.986 -4.245 1.00 0.00 H new ATOM 0 HA THR A 25 -3.877 -6.888 -5.818 1.00 0.00 H new ATOM 0 HB THR A 25 -1.538 -5.355 -6.987 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.388 -4.001 -7.728 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.662 -5.680 -9.154 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.177 -7.229 -8.424 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.878 -6.711 -8.364 1.00 0.00 H new ATOM 325 N THR A 26 -2.611 -8.960 -6.284 1.00 0.00 N ATOM 326 CA THR A 26 -1.926 -10.229 -6.433 1.00 0.00 C ATOM 327 C THR A 26 -1.160 -10.282 -7.759 1.00 0.00 C ATOM 328 O THR A 26 -1.149 -9.311 -8.519 1.00 0.00 O ATOM 329 CB THR A 26 -2.926 -11.396 -6.363 1.00 0.00 C ATOM 330 OG1 THR A 26 -4.038 -11.033 -5.528 1.00 0.00 O ATOM 331 CG2 THR A 26 -2.263 -12.636 -5.790 1.00 0.00 C ATOM 0 H THR A 26 -3.612 -8.999 -6.476 1.00 0.00 H new ATOM 0 HA THR A 26 -1.214 -10.323 -5.613 1.00 0.00 H new ATOM 0 HB THR A 26 -3.272 -11.611 -7.374 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.763 -11.058 -4.588 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.987 -13.450 -5.749 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.426 -12.927 -6.424 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.900 -12.423 -4.785 1.00 0.00 H new ATOM 339 N ASP A 27 -0.522 -11.410 -8.021 1.00 0.00 N ATOM 340 CA ASP A 27 0.243 -11.610 -9.242 1.00 0.00 C ATOM 341 C ASP A 27 -0.702 -11.685 -10.444 1.00 0.00 C ATOM 342 O ASP A 27 -1.917 -11.493 -10.309 1.00 0.00 O ATOM 343 CB ASP A 27 1.078 -12.891 -9.133 1.00 0.00 C ATOM 344 CG ASP A 27 2.333 -12.862 -9.982 1.00 0.00 C ATOM 345 OD1 ASP A 27 2.241 -13.049 -11.210 1.00 0.00 O ATOM 346 OD2 ASP A 27 3.429 -12.662 -9.417 1.00 0.00 O ATOM 0 H ASP A 27 -0.519 -12.214 -7.393 1.00 0.00 H new ATOM 0 HA ASP A 27 0.919 -10.766 -9.383 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.356 -13.048 -8.091 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.466 -13.742 -9.431 1.00 0.00 H new ATOM 351 N VAL A 28 -0.139 -11.943 -11.618 1.00 0.00 N ATOM 352 CA VAL A 28 -0.901 -11.980 -12.862 1.00 0.00 C ATOM 353 C VAL A 28 -2.068 -12.977 -12.785 1.00 0.00 C ATOM 354 O VAL A 28 -3.006 -12.899 -13.579 1.00 0.00 O ATOM 355 CB VAL A 28 0.012 -12.330 -14.066 1.00 0.00 C ATOM 356 CG1 VAL A 28 0.511 -13.766 -13.977 1.00 0.00 C ATOM 357 CG2 VAL A 28 -0.704 -12.079 -15.387 1.00 0.00 C ATOM 0 H VAL A 28 0.856 -12.132 -11.736 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.314 -10.982 -13.010 1.00 0.00 H new ATOM 0 HB VAL A 28 0.881 -11.673 -14.027 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.149 -13.983 -14.834 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.082 -13.896 -13.058 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.340 -14.447 -13.976 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.041 -12.333 -16.214 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.601 -12.697 -15.438 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.983 -11.028 -15.455 1.00 0.00 H new ATOM 367 N ASP A 29 -2.017 -13.888 -11.807 1.00 0.00 N ATOM 368 CA ASP A 29 -3.071 -14.871 -11.607 1.00 0.00 C ATOM 369 C ASP A 29 -4.431 -14.189 -11.462 1.00 0.00 C ATOM 370 O ASP A 29 -5.399 -14.594 -12.096 1.00 0.00 O ATOM 371 CB ASP A 29 -2.779 -15.733 -10.368 1.00 0.00 C ATOM 372 CG ASP A 29 -2.831 -14.954 -9.063 1.00 0.00 C ATOM 373 OD1 ASP A 29 -1.805 -14.343 -8.694 1.00 0.00 O ATOM 374 OD2 ASP A 29 -3.899 -14.946 -8.408 1.00 0.00 O ATOM 0 H ASP A 29 -1.248 -13.959 -11.141 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.099 -15.516 -12.485 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.500 -16.549 -10.324 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.793 -16.185 -10.473 1.00 0.00 H new ATOM 379 N ARG A 30 -4.483 -13.134 -10.658 1.00 0.00 N ATOM 380 CA ARG A 30 -5.724 -12.406 -10.432 1.00 0.00 C ATOM 381 C ARG A 30 -6.093 -11.585 -11.660 1.00 0.00 C ATOM 382 O ARG A 30 -7.265 -11.467 -12.015 1.00 0.00 O ATOM 383 CB ARG A 30 -5.591 -11.485 -9.216 1.00 0.00 C ATOM 384 CG ARG A 30 -6.855 -10.691 -8.920 1.00 0.00 C ATOM 385 CD ARG A 30 -6.619 -9.644 -7.846 1.00 0.00 C ATOM 386 NE ARG A 30 -7.809 -8.826 -7.616 1.00 0.00 N ATOM 387 CZ ARG A 30 -7.958 -7.583 -8.071 1.00 0.00 C ATOM 388 NH1 ARG A 30 -6.988 -7.011 -8.780 1.00 0.00 N ATOM 389 NH2 ARG A 30 -9.078 -6.918 -7.824 1.00 0.00 N ATOM 0 H ARG A 30 -3.679 -12.764 -10.151 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.514 -13.133 -10.242 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.334 -12.084 -8.342 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.766 -10.792 -9.382 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.202 -10.206 -9.832 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.645 -11.370 -8.600 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.330 -10.135 -6.917 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.788 -9.003 -8.140 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.572 -9.232 -7.074 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.129 -7.524 -8.976 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.104 -6.059 -9.128 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.824 -7.358 -7.286 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.193 -5.966 -8.172 1.00 0.00 H new ATOM 403 N ARG A 31 -5.076 -11.034 -12.307 1.00 0.00 N ATOM 404 CA ARG A 31 -5.267 -10.181 -13.471 1.00 0.00 C ATOM 405 C ARG A 31 -5.973 -10.935 -14.593 1.00 0.00 C ATOM 406 O ARG A 31 -7.056 -10.540 -15.028 1.00 0.00 O ATOM 407 CB ARG A 31 -3.912 -9.651 -13.950 1.00 0.00 C ATOM 408 CG ARG A 31 -3.975 -8.884 -15.263 1.00 0.00 C ATOM 409 CD ARG A 31 -2.599 -8.391 -15.672 1.00 0.00 C ATOM 410 NE ARG A 31 -2.574 -7.876 -17.040 1.00 0.00 N ATOM 411 CZ ARG A 31 -1.479 -7.408 -17.631 1.00 0.00 C ATOM 412 NH1 ARG A 31 -0.342 -7.305 -16.951 1.00 0.00 N ATOM 413 NH2 ARG A 31 -1.528 -7.014 -18.897 1.00 0.00 N ATOM 0 H ARG A 31 -4.100 -11.165 -12.042 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.900 -9.340 -13.186 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.496 -9.000 -13.181 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.225 -10.490 -14.064 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.382 -9.526 -16.044 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.653 -8.037 -15.161 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.278 -7.607 -14.986 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.882 -9.207 -15.581 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.445 -7.876 -17.571 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.307 -7.586 -15.971 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.495 -6.945 -17.409 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.405 -7.070 -19.415 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.689 -6.655 -19.352 1.00 0.00 H new ATOM 427 N ILE A 32 -5.359 -12.017 -15.059 1.00 0.00 N ATOM 428 CA ILE A 32 -5.932 -12.811 -16.138 1.00 0.00 C ATOM 429 C ILE A 32 -7.281 -13.408 -15.730 1.00 0.00 C ATOM 430 O ILE A 32 -8.224 -13.432 -16.524 1.00 0.00 O ATOM 431 CB ILE A 32 -4.967 -13.933 -16.613 1.00 0.00 C ATOM 432 CG1 ILE A 32 -5.591 -14.712 -17.772 1.00 0.00 C ATOM 433 CG2 ILE A 32 -4.602 -14.876 -15.471 1.00 0.00 C ATOM 434 CD1 ILE A 32 -4.679 -15.764 -18.367 1.00 0.00 C ATOM 0 H ILE A 32 -4.466 -12.363 -14.707 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.091 -12.133 -16.977 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.047 -13.461 -16.958 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.505 -15.193 -17.423 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.879 -14.010 -18.555 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.926 -15.648 -15.839 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.112 -14.313 -14.677 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.507 -15.342 -15.080 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.193 -16.272 -19.183 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.775 -15.289 -18.748 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.411 -16.490 -17.599 1.00 0.00 H new ATOM 446 N LYS A 33 -7.359 -13.871 -14.483 1.00 0.00 N ATOM 447 CA LYS A 33 -8.552 -14.522 -13.957 1.00 0.00 C ATOM 448 C LYS A 33 -9.750 -13.577 -13.976 1.00 0.00 C ATOM 449 O LYS A 33 -10.789 -13.890 -14.555 1.00 0.00 O ATOM 450 CB LYS A 33 -8.289 -14.994 -12.529 1.00 0.00 C ATOM 451 CG LYS A 33 -9.075 -16.224 -12.120 1.00 0.00 C ATOM 452 CD LYS A 33 -8.660 -16.690 -10.735 1.00 0.00 C ATOM 453 CE LYS A 33 -9.226 -18.058 -10.404 1.00 0.00 C ATOM 454 NZ LYS A 33 -10.709 -18.076 -10.448 1.00 0.00 N ATOM 0 H LYS A 33 -6.595 -13.804 -13.811 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.785 -15.377 -14.592 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.225 -15.205 -12.419 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.526 -14.182 -11.842 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.142 -16.000 -12.129 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.911 -17.023 -12.843 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.572 -16.723 -10.674 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.999 -15.968 -9.992 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.834 -18.792 -11.109 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.890 -18.358 -9.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.054 -19.011 -10.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.084 -17.348 -9.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.030 -17.882 -11.418 1.00 0.00 H new ATOM 468 N LYS A 34 -9.586 -12.415 -13.349 1.00 0.00 N ATOM 469 CA LYS A 34 -10.670 -11.446 -13.213 1.00 0.00 C ATOM 470 C LYS A 34 -11.161 -10.989 -14.581 1.00 0.00 C ATOM 471 O LYS A 34 -12.362 -10.825 -14.795 1.00 0.00 O ATOM 472 CB LYS A 34 -10.205 -10.236 -12.395 1.00 0.00 C ATOM 473 CG LYS A 34 -11.342 -9.362 -11.885 1.00 0.00 C ATOM 474 CD LYS A 34 -12.221 -10.123 -10.907 1.00 0.00 C ATOM 475 CE LYS A 34 -13.332 -9.248 -10.354 1.00 0.00 C ATOM 476 NZ LYS A 34 -14.231 -8.736 -11.423 1.00 0.00 N ATOM 0 H LYS A 34 -8.707 -12.120 -12.924 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.495 -11.932 -12.692 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.621 -10.588 -11.545 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.540 -9.628 -13.009 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.934 -8.476 -11.398 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.943 -9.015 -12.725 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.654 -10.990 -11.406 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.611 -10.499 -10.086 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.917 -9.819 -9.633 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.895 -8.407 -9.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.221 -8.903 -11.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.074 -7.716 -11.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.027 -9.231 -12.315 1.00 0.00 H new ATOM 490 N HIS A 35 -10.226 -10.797 -15.504 1.00 0.00 N ATOM 491 CA HIS A 35 -10.564 -10.380 -16.858 1.00 0.00 C ATOM 492 C HIS A 35 -11.331 -11.489 -17.575 1.00 0.00 C ATOM 493 O HIS A 35 -12.322 -11.230 -18.262 1.00 0.00 O ATOM 494 CB HIS A 35 -9.288 -10.020 -17.633 1.00 0.00 C ATOM 495 CG HIS A 35 -9.528 -9.322 -18.943 1.00 0.00 C ATOM 496 ND1 HIS A 35 -9.234 -7.988 -19.146 1.00 0.00 N ATOM 497 CD2 HIS A 35 -10.005 -9.780 -20.124 1.00 0.00 C ATOM 498 CE1 HIS A 35 -9.516 -7.662 -20.394 1.00 0.00 C ATOM 499 NE2 HIS A 35 -9.986 -8.730 -21.006 1.00 0.00 N ATOM 0 H HIS A 35 -9.228 -10.924 -15.339 1.00 0.00 H new ATOM 0 HA HIS A 35 -11.201 -9.497 -16.807 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -8.665 -9.383 -17.005 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.723 -10.933 -17.821 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -10.339 -10.786 -20.333 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -9.384 -6.686 -20.838 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.287 -8.769 -21.980 1.00 0.00 H new ATOM 508 N ALA A 36 -10.859 -12.723 -17.410 1.00 0.00 N ATOM 509 CA ALA A 36 -11.514 -13.889 -17.994 1.00 0.00 C ATOM 510 C ALA A 36 -12.929 -14.061 -17.445 1.00 0.00 C ATOM 511 O ALA A 36 -13.854 -14.391 -18.186 1.00 0.00 O ATOM 512 CB ALA A 36 -10.692 -15.146 -17.742 1.00 0.00 C ATOM 0 H ALA A 36 -10.020 -12.941 -16.873 1.00 0.00 H new ATOM 0 HA ALA A 36 -11.586 -13.727 -19.070 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.196 -16.005 -18.185 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.706 -15.032 -18.192 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.585 -15.302 -16.668 1.00 0.00 H new ATOM 518 N SER A 37 -13.088 -13.838 -16.146 1.00 0.00 N ATOM 519 CA SER A 37 -14.389 -13.946 -15.503 1.00 0.00 C ATOM 520 C SER A 37 -15.315 -12.825 -15.957 1.00 0.00 C ATOM 521 O SER A 37 -16.497 -13.053 -16.218 1.00 0.00 O ATOM 522 CB SER A 37 -14.233 -13.901 -13.987 1.00 0.00 C ATOM 523 OG SER A 37 -13.436 -14.979 -13.529 1.00 0.00 O ATOM 0 H SER A 37 -12.328 -13.580 -15.516 1.00 0.00 H new ATOM 0 HA SER A 37 -14.830 -14.900 -15.792 1.00 0.00 H new ATOM 0 HB2 SER A 37 -13.777 -12.956 -13.692 1.00 0.00 H new ATOM 0 HB3 SER A 37 -15.215 -13.943 -13.515 1.00 0.00 H new ATOM 0 HG SER A 37 -12.500 -14.819 -13.771 1.00 0.00 H new ATOM 529 N GLY A 38 -14.768 -11.620 -16.048 1.00 0.00 N ATOM 530 CA GLY A 38 -15.549 -10.483 -16.482 1.00 0.00 C ATOM 531 C GLY A 38 -16.137 -10.685 -17.861 1.00 0.00 C ATOM 532 O GLY A 38 -17.327 -10.449 -18.068 1.00 0.00 O ATOM 0 H GLY A 38 -13.794 -11.411 -15.828 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.354 -10.304 -15.769 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.921 -9.592 -16.484 1.00 0.00 H new ATOM 536 N LYS A 39 -15.292 -11.136 -18.793 1.00 0.00 N ATOM 537 CA LYS A 39 -15.695 -11.425 -20.174 1.00 0.00 C ATOM 538 C LYS A 39 -16.534 -10.287 -20.754 1.00 0.00 C ATOM 539 O LYS A 39 -17.767 -10.332 -20.755 1.00 0.00 O ATOM 540 CB LYS A 39 -16.455 -12.753 -20.246 1.00 0.00 C ATOM 541 CG LYS A 39 -16.706 -13.236 -21.664 1.00 0.00 C ATOM 542 CD LYS A 39 -17.379 -14.597 -21.677 1.00 0.00 C ATOM 543 CE LYS A 39 -17.613 -15.090 -23.097 1.00 0.00 C ATOM 544 NZ LYS A 39 -16.347 -15.198 -23.867 1.00 0.00 N ATOM 0 H LYS A 39 -14.304 -11.312 -18.610 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.792 -11.513 -20.777 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -15.891 -13.514 -19.707 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -17.411 -12.643 -19.734 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -17.331 -12.515 -22.190 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.760 -13.291 -22.203 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.760 -15.315 -21.139 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -18.331 -14.538 -21.150 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -18.102 -16.064 -23.066 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.292 -14.408 -23.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.513 -15.752 -24.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.015 -14.247 -24.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.626 -15.671 -23.285 1.00 0.00 H new ATOM 558 N GLY A 40 -15.855 -9.273 -21.245 1.00 0.00 N ATOM 559 CA GLY A 40 -16.523 -8.057 -21.652 1.00 0.00 C ATOM 560 C GLY A 40 -16.142 -6.919 -20.737 1.00 0.00 C ATOM 561 O GLY A 40 -15.978 -5.781 -21.172 1.00 0.00 O ATOM 0 H GLY A 40 -14.843 -9.267 -21.372 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -16.254 -7.812 -22.679 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -17.603 -8.203 -21.632 1.00 0.00 H new ATOM 565 N ALA A 41 -15.999 -7.243 -19.455 1.00 0.00 N ATOM 566 CA ALA A 41 -15.476 -6.306 -18.476 1.00 0.00 C ATOM 567 C ALA A 41 -13.960 -6.289 -18.558 1.00 0.00 C ATOM 568 O ALA A 41 -13.277 -7.110 -17.943 1.00 0.00 O ATOM 569 CB ALA A 41 -15.936 -6.673 -17.073 1.00 0.00 C ATOM 0 H ALA A 41 -16.241 -8.156 -19.071 1.00 0.00 H new ATOM 0 HA ALA A 41 -15.859 -5.310 -18.697 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -15.531 -5.956 -16.358 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -17.025 -6.653 -17.030 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -15.582 -7.673 -16.824 1.00 0.00 H new ATOM 575 N LYS A 42 -13.441 -5.373 -19.353 1.00 0.00 N ATOM 576 CA LYS A 42 -12.017 -5.313 -19.629 1.00 0.00 C ATOM 577 C LYS A 42 -11.316 -4.398 -18.645 1.00 0.00 C ATOM 578 O LYS A 42 -10.107 -4.518 -18.440 1.00 0.00 O ATOM 579 CB LYS A 42 -11.779 -4.802 -21.049 1.00 0.00 C ATOM 580 CG LYS A 42 -12.472 -5.622 -22.121 1.00 0.00 C ATOM 581 CD LYS A 42 -12.360 -4.958 -23.483 1.00 0.00 C ATOM 582 CE LYS A 42 -12.962 -3.559 -23.469 1.00 0.00 C ATOM 583 NZ LYS A 42 -12.970 -2.937 -24.816 1.00 0.00 N ATOM 0 H LYS A 42 -13.990 -4.653 -19.823 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.610 -6.319 -19.528 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.123 -3.770 -21.116 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.707 -4.794 -21.247 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.031 -6.618 -22.162 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.523 -5.750 -21.862 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.312 -4.902 -23.777 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.869 -5.567 -24.230 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.982 -3.608 -23.088 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.396 -2.929 -22.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.388 -1.987 -24.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.995 -2.865 -25.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.532 -3.523 -25.466 1.00 0.00 H new ATOM 597 N TYR A 43 -12.101 -3.507 -18.034 1.00 0.00 N ATOM 598 CA TYR A 43 -11.580 -2.451 -17.169 1.00 0.00 C ATOM 599 C TYR A 43 -10.827 -1.420 -18.006 1.00 0.00 C ATOM 600 O TYR A 43 -9.789 -1.716 -18.598 1.00 0.00 O ATOM 601 CB TYR A 43 -10.682 -3.012 -16.055 1.00 0.00 C ATOM 602 CG TYR A 43 -11.414 -3.884 -15.051 1.00 0.00 C ATOM 603 CD1 TYR A 43 -11.596 -5.244 -15.279 1.00 0.00 C ATOM 604 CD2 TYR A 43 -11.922 -3.346 -13.874 1.00 0.00 C ATOM 605 CE1 TYR A 43 -12.264 -6.039 -14.366 1.00 0.00 C ATOM 606 CE2 TYR A 43 -12.587 -4.135 -12.957 1.00 0.00 C ATOM 607 CZ TYR A 43 -12.757 -5.480 -13.206 1.00 0.00 C ATOM 608 OH TYR A 43 -13.423 -6.267 -12.290 1.00 0.00 O ATOM 0 H TYR A 43 -13.117 -3.499 -18.127 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.426 -1.967 -16.681 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -9.879 -3.593 -16.508 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -10.215 -2.181 -15.526 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.209 -5.687 -16.185 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -11.794 -2.292 -13.674 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -12.399 -7.093 -14.561 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -12.973 -3.700 -12.047 1.00 0.00 H new ATOM 0 HH TYR A 43 -13.704 -5.717 -11.529 1.00 0.00 H new ATOM 618 N THR A 44 -11.356 -0.205 -18.043 1.00 0.00 N ATOM 619 CA THR A 44 -10.856 0.837 -18.934 1.00 0.00 C ATOM 620 C THR A 44 -9.556 1.476 -18.409 1.00 0.00 C ATOM 621 O THR A 44 -9.341 2.683 -18.557 1.00 0.00 O ATOM 622 CB THR A 44 -11.949 1.917 -19.162 1.00 0.00 C ATOM 623 OG1 THR A 44 -11.490 2.923 -20.076 1.00 0.00 O ATOM 624 CG2 THR A 44 -12.363 2.565 -17.849 1.00 0.00 C ATOM 0 H THR A 44 -12.140 0.087 -17.460 1.00 0.00 H new ATOM 0 HA THR A 44 -10.616 0.368 -19.888 1.00 0.00 H new ATOM 0 HB THR A 44 -12.817 1.418 -19.592 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.562 3.157 -19.866 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.129 3.317 -18.040 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.760 1.804 -17.177 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.496 3.039 -17.388 1.00 0.00 H new ATOM 632 N ARG A 45 -8.682 0.641 -17.831 1.00 0.00 N ATOM 633 CA ARG A 45 -7.342 1.043 -17.379 1.00 0.00 C ATOM 634 C ARG A 45 -7.395 1.940 -16.148 1.00 0.00 C ATOM 635 O ARG A 45 -6.848 1.604 -15.098 1.00 0.00 O ATOM 636 CB ARG A 45 -6.573 1.773 -18.488 1.00 0.00 C ATOM 637 CG ARG A 45 -6.547 1.054 -19.826 1.00 0.00 C ATOM 638 CD ARG A 45 -6.004 1.969 -20.910 1.00 0.00 C ATOM 639 NE ARG A 45 -6.641 3.288 -20.869 1.00 0.00 N ATOM 640 CZ ARG A 45 -7.127 3.930 -21.932 1.00 0.00 C ATOM 641 NH1 ARG A 45 -7.077 3.378 -23.137 1.00 0.00 N ATOM 642 NH2 ARG A 45 -7.672 5.131 -21.775 1.00 0.00 N ATOM 0 H ARG A 45 -8.887 -0.344 -17.662 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.823 0.120 -17.119 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.017 2.759 -18.630 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.547 1.930 -18.156 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.928 0.160 -19.753 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.553 0.726 -20.089 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.927 2.080 -20.788 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.168 1.515 -21.887 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.718 3.748 -19.962 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.664 2.453 -23.258 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.452 3.878 -23.943 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.716 5.554 -20.848 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.047 5.630 -22.582 1.00 0.00 H new ATOM 656 N GLY A 46 -8.066 3.074 -16.282 1.00 0.00 N ATOM 657 CA GLY A 46 -7.987 4.121 -15.289 1.00 0.00 C ATOM 658 C GLY A 46 -6.999 5.169 -15.742 1.00 0.00 C ATOM 659 O GLY A 46 -7.381 6.142 -16.392 1.00 0.00 O ATOM 0 H GLY A 46 -8.672 3.288 -17.074 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.969 4.571 -15.140 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -7.678 3.705 -14.330 1.00 0.00 H new ATOM 663 N ARG A 47 -5.726 4.938 -15.427 1.00 0.00 N ATOM 664 CA ARG A 47 -4.620 5.727 -15.967 1.00 0.00 C ATOM 665 C ARG A 47 -4.786 7.225 -15.693 1.00 0.00 C ATOM 666 O ARG A 47 -5.143 8.003 -16.584 1.00 0.00 O ATOM 667 CB ARG A 47 -4.488 5.463 -17.474 1.00 0.00 C ATOM 668 CG ARG A 47 -3.311 6.156 -18.142 1.00 0.00 C ATOM 669 CD ARG A 47 -3.370 5.966 -19.649 1.00 0.00 C ATOM 670 NE ARG A 47 -2.362 6.753 -20.355 1.00 0.00 N ATOM 671 CZ ARG A 47 -2.650 7.805 -21.128 1.00 0.00 C ATOM 672 NH1 ARG A 47 -3.900 8.252 -21.202 1.00 0.00 N ATOM 673 NH2 ARG A 47 -1.689 8.428 -21.797 1.00 0.00 N ATOM 0 H ARG A 47 -5.432 4.198 -14.790 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.707 5.415 -15.459 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.397 4.389 -17.634 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.407 5.782 -17.966 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.323 7.219 -17.902 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.376 5.753 -17.755 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.232 4.911 -19.884 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.361 6.245 -20.008 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.383 6.485 -20.252 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.638 7.792 -20.669 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.121 9.055 -21.792 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.724 8.105 -21.723 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.915 9.230 -22.385 1.00 0.00 H new ATOM 687 N GLY A 48 -4.558 7.620 -14.447 1.00 0.00 N ATOM 688 CA GLY A 48 -4.551 9.024 -14.116 1.00 0.00 C ATOM 689 C GLY A 48 -5.652 9.400 -13.146 1.00 0.00 C ATOM 690 O GLY A 48 -6.765 8.878 -13.231 1.00 0.00 O ATOM 0 H GLY A 48 -4.379 6.992 -13.664 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.586 9.287 -13.683 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.661 9.609 -15.029 1.00 0.00 H new ATOM 694 N PRO A 49 -5.360 10.291 -12.188 1.00 0.00 N ATOM 695 CA PRO A 49 -4.020 10.803 -11.940 1.00 0.00 C ATOM 696 C PRO A 49 -3.289 9.982 -10.880 1.00 0.00 C ATOM 697 O PRO A 49 -3.825 9.732 -9.798 1.00 0.00 O ATOM 698 CB PRO A 49 -4.282 12.230 -11.430 1.00 0.00 C ATOM 699 CG PRO A 49 -5.759 12.318 -11.163 1.00 0.00 C ATOM 700 CD PRO A 49 -6.320 10.927 -11.290 1.00 0.00 C ATOM 0 HA PRO A 49 -3.386 10.763 -12.826 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.710 12.430 -10.524 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.976 12.970 -12.170 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.946 12.718 -10.167 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.238 12.992 -11.873 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.375 10.420 -10.327 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.327 10.930 -11.706 1.00 0.00 H new ATOM 708 N PHE A 50 -2.072 9.555 -11.188 1.00 0.00 N ATOM 709 CA PHE A 50 -1.308 8.739 -10.256 1.00 0.00 C ATOM 710 C PHE A 50 0.180 9.072 -10.320 1.00 0.00 C ATOM 711 O PHE A 50 0.768 9.155 -11.399 1.00 0.00 O ATOM 712 CB PHE A 50 -1.534 7.241 -10.527 1.00 0.00 C ATOM 713 CG PHE A 50 -0.967 6.743 -11.834 1.00 0.00 C ATOM 714 CD1 PHE A 50 -1.600 7.014 -13.035 1.00 0.00 C ATOM 715 CD2 PHE A 50 0.206 6.000 -11.856 1.00 0.00 C ATOM 716 CE1 PHE A 50 -1.077 6.555 -14.229 1.00 0.00 C ATOM 717 CE2 PHE A 50 0.732 5.541 -13.046 1.00 0.00 C ATOM 718 CZ PHE A 50 0.091 5.821 -14.234 1.00 0.00 C ATOM 0 H PHE A 50 -1.597 9.758 -12.067 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.663 8.967 -9.251 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.091 6.668 -9.713 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.605 7.041 -10.512 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.513 7.591 -13.039 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.714 5.778 -10.929 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.583 6.771 -15.158 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.644 4.963 -13.047 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.503 5.466 -15.167 1.00 0.00 H new ATOM 728 N ARG A 51 0.765 9.300 -9.156 1.00 0.00 N ATOM 729 CA ARG A 51 2.202 9.483 -9.030 1.00 0.00 C ATOM 730 C ARG A 51 2.766 8.356 -8.175 1.00 0.00 C ATOM 731 O ARG A 51 2.277 8.106 -7.076 1.00 0.00 O ATOM 732 CB ARG A 51 2.513 10.843 -8.396 1.00 0.00 C ATOM 733 CG ARG A 51 4.000 11.128 -8.244 1.00 0.00 C ATOM 734 CD ARG A 51 4.241 12.449 -7.530 1.00 0.00 C ATOM 735 NE ARG A 51 5.664 12.692 -7.305 1.00 0.00 N ATOM 736 CZ ARG A 51 6.175 13.162 -6.166 1.00 0.00 C ATOM 737 NH1 ARG A 51 5.381 13.493 -5.155 1.00 0.00 N ATOM 738 NH2 ARG A 51 7.483 13.296 -6.036 1.00 0.00 N ATOM 0 H ARG A 51 0.259 9.363 -8.273 1.00 0.00 H new ATOM 0 HA ARG A 51 2.663 9.459 -10.017 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.063 11.628 -9.004 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.042 10.891 -7.414 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.472 10.319 -7.686 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.470 11.153 -9.227 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.822 13.263 -8.121 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.717 12.447 -6.574 1.00 0.00 H new ATOM 0 HE ARG A 51 6.309 12.489 -8.069 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.370 13.389 -5.245 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.782 13.851 -4.288 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.101 13.040 -6.806 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.875 13.655 -5.166 1.00 0.00 H new ATOM 752 N LEU A 52 3.777 7.669 -8.670 1.00 0.00 N ATOM 753 CA LEU A 52 4.282 6.492 -7.980 1.00 0.00 C ATOM 754 C LEU A 52 5.228 6.878 -6.848 1.00 0.00 C ATOM 755 O LEU A 52 6.333 7.369 -7.086 1.00 0.00 O ATOM 756 CB LEU A 52 4.972 5.545 -8.965 1.00 0.00 C ATOM 757 CG LEU A 52 5.512 4.251 -8.350 1.00 0.00 C ATOM 758 CD1 LEU A 52 4.377 3.457 -7.721 1.00 0.00 C ATOM 759 CD2 LEU A 52 6.227 3.418 -9.405 1.00 0.00 C ATOM 0 H LEU A 52 4.262 7.899 -9.537 1.00 0.00 H new ATOM 0 HA LEU A 52 3.432 5.971 -7.539 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.265 5.287 -9.753 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.798 6.076 -9.439 1.00 0.00 H new ATOM 0 HG LEU A 52 6.231 4.507 -7.572 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.772 2.539 -7.287 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.905 4.053 -6.941 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.640 3.209 -8.485 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.605 2.502 -8.951 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.530 3.166 -10.204 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.059 3.989 -9.817 1.00 0.00 H new ATOM 771 N VAL A 53 4.779 6.664 -5.617 1.00 0.00 N ATOM 772 CA VAL A 53 5.595 6.948 -4.446 1.00 0.00 C ATOM 773 C VAL A 53 6.485 5.748 -4.136 1.00 0.00 C ATOM 774 O VAL A 53 7.682 5.897 -3.881 1.00 0.00 O ATOM 775 CB VAL A 53 4.720 7.282 -3.215 1.00 0.00 C ATOM 776 CG1 VAL A 53 5.570 7.727 -2.029 1.00 0.00 C ATOM 777 CG2 VAL A 53 3.696 8.351 -3.566 1.00 0.00 C ATOM 0 H VAL A 53 3.852 6.294 -5.405 1.00 0.00 H new ATOM 0 HA VAL A 53 6.213 7.819 -4.667 1.00 0.00 H new ATOM 0 HB VAL A 53 4.194 6.372 -2.924 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.922 7.954 -1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.259 6.928 -1.755 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.136 8.618 -2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.088 8.575 -2.689 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.211 9.255 -3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.054 7.990 -4.370 1.00 0.00 H new ATOM 787 N ALA A 54 5.893 4.557 -4.171 1.00 0.00 N ATOM 788 CA ALA A 54 6.624 3.320 -3.935 1.00 0.00 C ATOM 789 C ALA A 54 5.765 2.109 -4.292 1.00 0.00 C ATOM 790 O ALA A 54 4.536 2.203 -4.352 1.00 0.00 O ATOM 791 CB ALA A 54 7.078 3.225 -2.484 1.00 0.00 C ATOM 0 H ALA A 54 4.900 4.425 -4.363 1.00 0.00 H new ATOM 0 HA ALA A 54 7.506 3.327 -4.575 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.622 2.292 -2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.730 4.067 -2.251 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.208 3.248 -1.828 1.00 0.00 H new ATOM 797 N THR A 55 6.422 0.988 -4.550 1.00 0.00 N ATOM 798 CA THR A 55 5.739 -0.277 -4.790 1.00 0.00 C ATOM 799 C THR A 55 6.643 -1.440 -4.395 1.00 0.00 C ATOM 800 O THR A 55 7.794 -1.520 -4.821 1.00 0.00 O ATOM 801 CB THR A 55 5.308 -0.432 -6.264 1.00 0.00 C ATOM 802 OG1 THR A 55 4.387 0.609 -6.609 1.00 0.00 O ATOM 803 CG2 THR A 55 4.653 -1.784 -6.499 1.00 0.00 C ATOM 0 H THR A 55 7.439 0.928 -4.599 1.00 0.00 H new ATOM 0 HA THR A 55 4.837 -0.283 -4.178 1.00 0.00 H new ATOM 0 HB THR A 55 6.197 -0.363 -6.890 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.242 1.188 -5.832 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.358 -1.869 -7.545 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.359 -2.578 -6.256 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.771 -1.876 -5.865 1.00 0.00 H new ATOM 811 N TRP A 56 6.115 -2.324 -3.563 1.00 0.00 N ATOM 812 CA TRP A 56 6.872 -3.454 -3.055 1.00 0.00 C ATOM 813 C TRP A 56 5.968 -4.672 -2.956 1.00 0.00 C ATOM 814 O TRP A 56 4.801 -4.607 -3.335 1.00 0.00 O ATOM 815 CB TRP A 56 7.531 -3.115 -1.709 1.00 0.00 C ATOM 816 CG TRP A 56 6.599 -2.613 -0.642 1.00 0.00 C ATOM 817 CD1 TRP A 56 6.230 -3.284 0.486 1.00 0.00 C ATOM 818 CD2 TRP A 56 5.931 -1.338 -0.584 1.00 0.00 C ATOM 819 NE1 TRP A 56 5.385 -2.511 1.240 1.00 0.00 N ATOM 820 CE2 TRP A 56 5.185 -1.319 0.602 1.00 0.00 C ATOM 821 CE3 TRP A 56 5.885 -0.213 -1.418 1.00 0.00 C ATOM 822 CZ2 TRP A 56 4.417 -0.225 0.975 1.00 0.00 C ATOM 823 CZ3 TRP A 56 5.113 0.872 -1.039 1.00 0.00 C ATOM 824 CH2 TRP A 56 4.389 0.856 0.147 1.00 0.00 C ATOM 0 H TRP A 56 5.154 -2.278 -3.223 1.00 0.00 H new ATOM 0 HA TRP A 56 7.679 -3.686 -3.750 1.00 0.00 H new ATOM 0 HB2 TRP A 56 8.036 -4.006 -1.336 1.00 0.00 H new ATOM 0 HB3 TRP A 56 8.300 -2.361 -1.880 1.00 0.00 H new ATOM 0 HD1 TRP A 56 6.556 -4.280 0.748 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.972 -2.782 2.133 1.00 0.00 H new ATOM 0 HE3 TRP A 56 6.443 -0.193 -2.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 3.856 -0.231 1.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 5.073 1.744 -1.675 1.00 0.00 H new ATOM 0 HH2 TRP A 56 3.794 1.716 0.417 1.00 0.00 H new ATOM 835 N ALA A 57 6.498 -5.790 -2.475 1.00 0.00 N ATOM 836 CA ALA A 57 5.743 -7.037 -2.494 1.00 0.00 C ATOM 837 C ALA A 57 6.063 -7.927 -1.299 1.00 0.00 C ATOM 838 O ALA A 57 7.134 -7.826 -0.698 1.00 0.00 O ATOM 839 CB ALA A 57 6.011 -7.786 -3.790 1.00 0.00 C ATOM 0 H ALA A 57 7.433 -5.860 -2.073 1.00 0.00 H new ATOM 0 HA ALA A 57 4.686 -6.778 -2.430 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.443 -8.717 -3.797 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.707 -7.170 -4.636 1.00 0.00 H new ATOM 0 HB3 ALA A 57 7.075 -8.010 -3.868 1.00 0.00 H new ATOM 845 N PHE A 58 5.109 -8.790 -0.966 1.00 0.00 N ATOM 846 CA PHE A 58 5.280 -9.792 0.077 1.00 0.00 C ATOM 847 C PHE A 58 4.875 -11.158 -0.464 1.00 0.00 C ATOM 848 O PHE A 58 3.920 -11.264 -1.236 1.00 0.00 O ATOM 849 CB PHE A 58 4.435 -9.457 1.314 1.00 0.00 C ATOM 850 CG PHE A 58 4.781 -8.140 1.949 1.00 0.00 C ATOM 851 CD1 PHE A 58 5.746 -8.070 2.940 1.00 0.00 C ATOM 852 CD2 PHE A 58 4.136 -6.975 1.561 1.00 0.00 C ATOM 853 CE1 PHE A 58 6.067 -6.865 3.531 1.00 0.00 C ATOM 854 CE2 PHE A 58 4.455 -5.765 2.148 1.00 0.00 C ATOM 855 CZ PHE A 58 5.420 -5.709 3.134 1.00 0.00 C ATOM 0 H PHE A 58 4.193 -8.813 -1.414 1.00 0.00 H new ATOM 0 HA PHE A 58 6.328 -9.803 0.375 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.382 -9.447 1.031 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.559 -10.249 2.052 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.254 -8.970 3.254 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.378 -7.014 0.793 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.822 -6.825 4.302 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.949 -4.863 1.835 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.669 -4.764 3.594 1.00 0.00 H new ATOM 865 N PRO A 59 5.600 -12.217 -0.090 1.00 0.00 N ATOM 866 CA PRO A 59 5.296 -13.576 -0.541 1.00 0.00 C ATOM 867 C PRO A 59 4.067 -14.153 0.155 1.00 0.00 C ATOM 868 O PRO A 59 3.406 -15.050 -0.369 1.00 0.00 O ATOM 869 CB PRO A 59 6.547 -14.381 -0.163 1.00 0.00 C ATOM 870 CG PRO A 59 7.559 -13.380 0.298 1.00 0.00 C ATOM 871 CD PRO A 59 6.785 -12.186 0.774 1.00 0.00 C ATOM 0 HA PRO A 59 5.067 -13.603 -1.606 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.324 -15.101 0.624 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.919 -14.947 -1.017 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.174 -13.790 1.100 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.234 -13.108 -0.513 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.522 -12.266 1.829 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.350 -11.262 0.656 1.00 0.00 H new ATOM 879 N SER A 60 3.745 -13.620 1.325 1.00 0.00 N ATOM 880 CA SER A 60 2.667 -14.159 2.138 1.00 0.00 C ATOM 881 C SER A 60 1.367 -13.384 1.925 1.00 0.00 C ATOM 882 O SER A 60 1.342 -12.155 2.015 1.00 0.00 O ATOM 883 CB SER A 60 3.090 -14.136 3.608 1.00 0.00 C ATOM 884 OG SER A 60 3.814 -12.952 3.906 1.00 0.00 O ATOM 0 H SER A 60 4.217 -12.813 1.732 1.00 0.00 H new ATOM 0 HA SER A 60 2.474 -15.188 1.836 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.208 -14.199 4.246 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.705 -15.009 3.828 1.00 0.00 H new ATOM 0 HG SER A 60 3.991 -12.910 4.869 1.00 0.00 H new ATOM 890 N LYS A 61 0.293 -14.109 1.623 1.00 0.00 N ATOM 891 CA LYS A 61 -1.021 -13.498 1.424 1.00 0.00 C ATOM 892 C LYS A 61 -1.469 -12.788 2.691 1.00 0.00 C ATOM 893 O LYS A 61 -1.909 -11.642 2.643 1.00 0.00 O ATOM 894 CB LYS A 61 -2.047 -14.569 1.008 1.00 0.00 C ATOM 895 CG LYS A 61 -3.456 -14.036 0.730 1.00 0.00 C ATOM 896 CD LYS A 61 -4.284 -13.874 2.003 1.00 0.00 C ATOM 897 CE LYS A 61 -4.442 -15.189 2.753 1.00 0.00 C ATOM 898 NZ LYS A 61 -5.215 -16.191 1.978 1.00 0.00 N ATOM 0 H LYS A 61 0.306 -15.123 1.510 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.950 -12.760 0.625 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.682 -15.074 0.114 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.107 -15.320 1.796 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.383 -13.074 0.223 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.970 -14.716 0.051 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.808 -13.141 2.654 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.268 -13.482 1.747 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.457 -15.593 2.984 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.942 -15.004 3.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.383 -17.031 2.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.127 -15.780 1.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.677 -16.465 1.131 1.00 0.00 H new ATOM 912 N GLU A 62 -1.347 -13.485 3.815 1.00 0.00 N ATOM 913 CA GLU A 62 -1.777 -12.969 5.106 1.00 0.00 C ATOM 914 C GLU A 62 -1.130 -11.625 5.407 1.00 0.00 C ATOM 915 O GLU A 62 -1.818 -10.650 5.700 1.00 0.00 O ATOM 916 CB GLU A 62 -1.428 -13.974 6.197 1.00 0.00 C ATOM 917 CG GLU A 62 -2.154 -15.297 6.053 1.00 0.00 C ATOM 918 CD GLU A 62 -1.489 -16.409 6.832 1.00 0.00 C ATOM 919 OE1 GLU A 62 -1.736 -16.521 8.049 1.00 0.00 O ATOM 920 OE2 GLU A 62 -0.717 -17.174 6.222 1.00 0.00 O ATOM 0 H GLU A 62 -0.947 -14.423 3.855 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.856 -12.820 5.076 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.353 -14.155 6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.666 -13.541 7.169 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.183 -15.183 6.395 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.197 -15.571 4.999 1.00 0.00 H new ATOM 927 N GLU A 63 0.190 -11.580 5.303 1.00 0.00 N ATOM 928 CA GLU A 63 0.939 -10.364 5.580 1.00 0.00 C ATOM 929 C GLU A 63 0.609 -9.256 4.590 1.00 0.00 C ATOM 930 O GLU A 63 0.410 -8.114 4.987 1.00 0.00 O ATOM 931 CB GLU A 63 2.440 -10.654 5.582 1.00 0.00 C ATOM 932 CG GLU A 63 2.914 -11.294 6.874 1.00 0.00 C ATOM 933 CD GLU A 63 2.635 -10.417 8.077 1.00 0.00 C ATOM 934 OE1 GLU A 63 3.490 -9.569 8.406 1.00 0.00 O ATOM 935 OE2 GLU A 63 1.551 -10.558 8.685 1.00 0.00 O ATOM 0 H GLU A 63 0.766 -12.375 5.028 1.00 0.00 H new ATOM 0 HA GLU A 63 0.644 -10.013 6.569 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.679 -11.312 4.747 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.985 -9.724 5.421 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.420 -12.257 7.005 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.984 -11.491 6.810 1.00 0.00 H new ATOM 942 N ALA A 64 0.532 -9.596 3.310 1.00 0.00 N ATOM 943 CA ALA A 64 0.218 -8.613 2.277 1.00 0.00 C ATOM 944 C ALA A 64 -1.172 -8.022 2.489 1.00 0.00 C ATOM 945 O ALA A 64 -1.371 -6.809 2.388 1.00 0.00 O ATOM 946 CB ALA A 64 0.323 -9.248 0.902 1.00 0.00 C ATOM 0 H ALA A 64 0.682 -10.543 2.961 1.00 0.00 H new ATOM 0 HA ALA A 64 0.942 -7.801 2.345 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.087 -8.506 0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.337 -9.616 0.748 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.379 -10.078 0.830 1.00 0.00 H new ATOM 952 N MET A 65 -2.130 -8.888 2.800 1.00 0.00 N ATOM 953 CA MET A 65 -3.500 -8.464 3.043 1.00 0.00 C ATOM 954 C MET A 65 -3.588 -7.653 4.333 1.00 0.00 C ATOM 955 O MET A 65 -4.190 -6.578 4.361 1.00 0.00 O ATOM 956 CB MET A 65 -4.435 -9.678 3.119 1.00 0.00 C ATOM 957 CG MET A 65 -5.889 -9.302 3.353 1.00 0.00 C ATOM 958 SD MET A 65 -6.974 -10.736 3.486 1.00 0.00 S ATOM 959 CE MET A 65 -6.889 -11.380 1.819 1.00 0.00 C ATOM 0 H MET A 65 -1.980 -9.893 2.890 1.00 0.00 H new ATOM 0 HA MET A 65 -3.814 -7.834 2.211 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.358 -10.246 2.192 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.103 -10.334 3.923 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.963 -8.711 4.266 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.231 -8.669 2.534 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.330 -12.377 1.791 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.438 -10.721 1.146 1.00 0.00 H new ATOM 0 HE3 MET A 65 -5.847 -11.435 1.503 1.00 0.00 H new ATOM 969 N ARG A 66 -2.972 -8.173 5.395 1.00 0.00 N ATOM 970 CA ARG A 66 -2.943 -7.483 6.680 1.00 0.00 C ATOM 971 C ARG A 66 -2.316 -6.107 6.529 1.00 0.00 C ATOM 972 O ARG A 66 -2.847 -5.116 7.020 1.00 0.00 O ATOM 973 CB ARG A 66 -2.148 -8.287 7.714 1.00 0.00 C ATOM 974 CG ARG A 66 -2.086 -7.614 9.079 1.00 0.00 C ATOM 975 CD ARG A 66 -1.197 -8.367 10.057 1.00 0.00 C ATOM 976 NE ARG A 66 0.214 -8.360 9.660 1.00 0.00 N ATOM 977 CZ ARG A 66 1.069 -7.369 9.935 1.00 0.00 C ATOM 978 NH1 ARG A 66 0.647 -6.263 10.542 1.00 0.00 N ATOM 979 NH2 ARG A 66 2.347 -7.483 9.600 1.00 0.00 N ATOM 0 H ARG A 66 -2.487 -9.070 5.388 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.972 -7.379 7.025 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.599 -9.273 7.823 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -1.134 -8.439 7.345 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.713 -6.596 8.963 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.093 -7.540 9.490 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.294 -7.921 11.047 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.543 -9.398 10.136 1.00 0.00 H new ATOM 0 HE ARG A 66 0.567 -9.163 9.140 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.335 -6.166 10.801 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.305 -5.512 10.748 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.678 -8.327 9.132 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.999 -6.727 9.810 1.00 0.00 H new ATOM 993 N TRP A 67 -1.190 -6.065 5.829 1.00 0.00 N ATOM 994 CA TRP A 67 -0.429 -4.841 5.641 1.00 0.00 C ATOM 995 C TRP A 67 -1.299 -3.743 5.033 1.00 0.00 C ATOM 996 O TRP A 67 -1.379 -2.639 5.577 1.00 0.00 O ATOM 997 CB TRP A 67 0.782 -5.119 4.746 1.00 0.00 C ATOM 998 CG TRP A 67 1.815 -4.043 4.778 1.00 0.00 C ATOM 999 CD1 TRP A 67 2.995 -4.061 5.459 1.00 0.00 C ATOM 1000 CD2 TRP A 67 1.761 -2.789 4.100 1.00 0.00 C ATOM 1001 NE1 TRP A 67 3.673 -2.886 5.255 1.00 0.00 N ATOM 1002 CE2 TRP A 67 2.933 -2.090 4.422 1.00 0.00 C ATOM 1003 CE3 TRP A 67 0.827 -2.189 3.255 1.00 0.00 C ATOM 1004 CZ2 TRP A 67 3.198 -0.822 3.925 1.00 0.00 C ATOM 1005 CZ3 TRP A 67 1.091 -0.935 2.761 1.00 0.00 C ATOM 1006 CH2 TRP A 67 2.264 -0.262 3.094 1.00 0.00 C ATOM 0 H TRP A 67 -0.779 -6.881 5.376 1.00 0.00 H new ATOM 0 HA TRP A 67 -0.084 -4.493 6.615 1.00 0.00 H new ATOM 0 HB2 TRP A 67 1.241 -6.059 5.053 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.440 -5.251 3.719 1.00 0.00 H new ATOM 0 HD1 TRP A 67 3.345 -4.880 6.070 1.00 0.00 H new ATOM 0 HE1 TRP A 67 4.579 -2.645 5.657 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -0.087 -2.701 2.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 4.106 -0.297 4.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 0.377 -0.463 2.103 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.441 0.723 2.688 1.00 0.00 H new ATOM 1017 N GLU A 68 -1.943 -4.051 3.902 1.00 0.00 N ATOM 1018 CA GLU A 68 -2.794 -3.083 3.209 1.00 0.00 C ATOM 1019 C GLU A 68 -3.792 -2.469 4.171 1.00 0.00 C ATOM 1020 O GLU A 68 -3.843 -1.247 4.351 1.00 0.00 O ATOM 1021 CB GLU A 68 -3.571 -3.750 2.069 1.00 0.00 C ATOM 1022 CG GLU A 68 -4.498 -2.786 1.338 1.00 0.00 C ATOM 1023 CD GLU A 68 -5.616 -3.484 0.591 1.00 0.00 C ATOM 1024 OE1 GLU A 68 -6.443 -4.154 1.246 1.00 0.00 O ATOM 1025 OE2 GLU A 68 -5.678 -3.366 -0.649 1.00 0.00 O ATOM 0 H GLU A 68 -1.890 -4.963 3.449 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.142 -2.310 2.802 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.865 -4.178 1.357 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.158 -4.576 2.471 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.930 -2.091 2.058 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.914 -2.194 0.634 1.00 0.00 H new ATOM 1032 N TYR A 69 -4.582 -3.335 4.787 1.00 0.00 N ATOM 1033 CA TYR A 69 -5.634 -2.902 5.687 1.00 0.00 C ATOM 1034 C TYR A 69 -5.065 -2.146 6.879 1.00 0.00 C ATOM 1035 O TYR A 69 -5.592 -1.107 7.250 1.00 0.00 O ATOM 1036 CB TYR A 69 -6.470 -4.083 6.174 1.00 0.00 C ATOM 1037 CG TYR A 69 -7.692 -3.660 6.965 1.00 0.00 C ATOM 1038 CD1 TYR A 69 -8.819 -3.172 6.315 1.00 0.00 C ATOM 1039 CD2 TYR A 69 -7.724 -3.747 8.355 1.00 0.00 C ATOM 1040 CE1 TYR A 69 -9.940 -2.786 7.024 1.00 0.00 C ATOM 1041 CE2 TYR A 69 -8.841 -3.363 9.066 1.00 0.00 C ATOM 1042 CZ TYR A 69 -9.947 -2.886 8.397 1.00 0.00 C ATOM 1043 OH TYR A 69 -11.065 -2.506 9.106 1.00 0.00 O ATOM 0 H TYR A 69 -4.512 -4.347 4.678 1.00 0.00 H new ATOM 0 HA TYR A 69 -6.280 -2.229 5.123 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.787 -4.675 5.315 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -5.849 -4.729 6.794 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.819 -3.093 5.238 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.860 -4.121 8.884 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.807 -2.407 6.503 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.849 -3.436 10.144 1.00 0.00 H new ATOM 0 HH TYR A 69 -10.906 -2.640 10.064 1.00 0.00 H new ATOM 1053 N GLU A 70 -3.988 -2.659 7.460 1.00 0.00 N ATOM 1054 CA GLU A 70 -3.398 -2.055 8.649 1.00 0.00 C ATOM 1055 C GLU A 70 -2.969 -0.618 8.363 1.00 0.00 C ATOM 1056 O GLU A 70 -3.249 0.285 9.145 1.00 0.00 O ATOM 1057 CB GLU A 70 -2.210 -2.889 9.146 1.00 0.00 C ATOM 1058 CG GLU A 70 -1.638 -2.404 10.468 1.00 0.00 C ATOM 1059 CD GLU A 70 -0.628 -3.367 11.059 1.00 0.00 C ATOM 1060 OE1 GLU A 70 0.563 -3.289 10.702 1.00 0.00 O ATOM 1061 OE2 GLU A 70 -1.022 -4.209 11.902 1.00 0.00 O ATOM 0 H GLU A 70 -3.504 -3.493 7.127 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.152 -2.036 9.436 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.525 -3.927 9.255 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.424 -2.872 8.391 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.164 -1.434 10.320 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.451 -2.256 11.178 1.00 0.00 H new ATOM 1068 N VAL A 71 -2.333 -0.406 7.218 1.00 0.00 N ATOM 1069 CA VAL A 71 -1.847 0.919 6.847 1.00 0.00 C ATOM 1070 C VAL A 71 -2.999 1.871 6.518 1.00 0.00 C ATOM 1071 O VAL A 71 -2.973 3.039 6.908 1.00 0.00 O ATOM 1072 CB VAL A 71 -0.858 0.848 5.666 1.00 0.00 C ATOM 1073 CG1 VAL A 71 -0.447 2.242 5.208 1.00 0.00 C ATOM 1074 CG2 VAL A 71 0.361 0.039 6.070 1.00 0.00 C ATOM 0 H VAL A 71 -2.141 -1.134 6.529 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.317 1.315 7.713 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.353 0.358 4.828 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.251 2.160 4.374 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.330 2.795 4.889 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.033 2.769 6.032 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.059 -0.010 5.234 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.848 0.515 6.921 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.053 -0.970 6.345 1.00 0.00 H new ATOM 1084 N LYS A 72 -4.010 1.385 5.804 1.00 0.00 N ATOM 1085 CA LYS A 72 -5.179 2.213 5.496 1.00 0.00 C ATOM 1086 C LYS A 72 -6.021 2.430 6.757 1.00 0.00 C ATOM 1087 O LYS A 72 -6.892 3.304 6.802 1.00 0.00 O ATOM 1088 CB LYS A 72 -6.028 1.588 4.374 1.00 0.00 C ATOM 1089 CG LYS A 72 -6.735 0.297 4.755 1.00 0.00 C ATOM 1090 CD LYS A 72 -7.331 -0.393 3.534 1.00 0.00 C ATOM 1091 CE LYS A 72 -8.360 0.481 2.826 1.00 0.00 C ATOM 1092 NZ LYS A 72 -9.588 0.685 3.641 1.00 0.00 N ATOM 0 H LYS A 72 -4.048 0.436 5.431 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.825 3.181 5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.775 2.315 4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.385 1.394 3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.030 -0.374 5.246 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.525 0.512 5.475 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.533 -0.649 2.837 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.800 -1.329 3.840 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.914 1.449 2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.630 0.022 1.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.277 1.243 3.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.002 -0.238 3.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.344 1.193 4.515 1.00 0.00 H new ATOM 1106 N HIS A 73 -5.741 1.628 7.772 1.00 0.00 N ATOM 1107 CA HIS A 73 -6.467 1.669 9.034 1.00 0.00 C ATOM 1108 C HIS A 73 -5.725 2.549 10.037 1.00 0.00 C ATOM 1109 O HIS A 73 -6.266 2.916 11.085 1.00 0.00 O ATOM 1110 CB HIS A 73 -6.594 0.240 9.570 1.00 0.00 C ATOM 1111 CG HIS A 73 -7.669 0.031 10.585 1.00 0.00 C ATOM 1112 ND1 HIS A 73 -7.696 -1.062 11.420 1.00 0.00 N ATOM 1113 CD2 HIS A 73 -8.779 0.747 10.869 1.00 0.00 C ATOM 1114 CE1 HIS A 73 -8.772 -1.013 12.171 1.00 0.00 C ATOM 1115 NE2 HIS A 73 -9.449 0.075 11.861 1.00 0.00 N ATOM 0 H HIS A 73 -5.001 0.927 7.745 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.459 2.093 8.879 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.775 -0.430 8.730 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.640 -0.051 10.010 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -9.082 1.673 10.403 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -9.055 -1.741 12.917 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -10.327 0.369 12.288 1.00 0.00 H new ATOM 1124 N LEU A 74 -4.483 2.877 9.703 1.00 0.00 N ATOM 1125 CA LEU A 74 -3.637 3.699 10.556 1.00 0.00 C ATOM 1126 C LEU A 74 -4.097 5.146 10.555 1.00 0.00 C ATOM 1127 O LEU A 74 -4.851 5.578 9.677 1.00 0.00 O ATOM 1128 CB LEU A 74 -2.174 3.636 10.095 1.00 0.00 C ATOM 1129 CG LEU A 74 -1.448 2.319 10.364 1.00 0.00 C ATOM 1130 CD1 LEU A 74 -0.060 2.340 9.747 1.00 0.00 C ATOM 1131 CD2 LEU A 74 -1.359 2.058 11.858 1.00 0.00 C ATOM 0 H LEU A 74 -4.036 2.581 8.835 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.716 3.303 11.568 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.142 3.835 9.024 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.624 4.439 10.585 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.018 1.512 9.904 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.442 1.394 9.949 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.143 2.484 8.670 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.518 3.157 10.179 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.839 1.116 12.032 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.811 2.869 12.337 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.363 2.001 12.278 1.00 0.00 H new ATOM 1143 N SER A 75 -3.634 5.890 11.550 1.00 0.00 N ATOM 1144 CA SER A 75 -3.891 7.309 11.625 1.00 0.00 C ATOM 1145 C SER A 75 -3.081 8.005 10.531 1.00 0.00 C ATOM 1146 O SER A 75 -2.070 7.461 10.070 1.00 0.00 O ATOM 1147 CB SER A 75 -3.505 7.829 13.016 1.00 0.00 C ATOM 1148 OG SER A 75 -4.122 9.073 13.298 1.00 0.00 O ATOM 0 H SER A 75 -3.074 5.524 12.320 1.00 0.00 H new ATOM 0 HA SER A 75 -4.950 7.517 11.472 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.795 7.099 13.771 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.422 7.937 13.077 1.00 0.00 H new ATOM 0 HG SER A 75 -3.856 9.375 14.192 1.00 0.00 H new ATOM 1154 N ARG A 76 -3.509 9.191 10.118 1.00 0.00 N ATOM 1155 CA ARG A 76 -2.875 9.885 9.000 1.00 0.00 C ATOM 1156 C ARG A 76 -1.393 10.142 9.284 1.00 0.00 C ATOM 1157 O ARG A 76 -0.570 10.174 8.367 1.00 0.00 O ATOM 1158 CB ARG A 76 -3.602 11.204 8.705 1.00 0.00 C ATOM 1159 CG ARG A 76 -3.694 11.534 7.217 1.00 0.00 C ATOM 1160 CD ARG A 76 -2.345 11.896 6.615 1.00 0.00 C ATOM 1161 NE ARG A 76 -2.023 13.312 6.797 1.00 0.00 N ATOM 1162 CZ ARG A 76 -0.904 13.766 7.371 1.00 0.00 C ATOM 1163 NH1 ARG A 76 -0.053 12.921 7.933 1.00 0.00 N ATOM 1164 NH2 ARG A 76 -0.656 15.069 7.398 1.00 0.00 N ATOM 0 H ARG A 76 -4.291 9.693 10.538 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.945 9.245 8.121 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.609 11.155 9.120 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.085 12.016 9.217 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.108 10.678 6.684 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.386 12.364 7.075 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.568 11.286 7.075 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.348 11.659 5.551 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.698 14.000 6.463 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.250 11.920 7.929 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.800 13.271 8.370 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.319 15.723 6.981 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.197 15.417 7.836 1.00 0.00 H new ATOM 1178 N ARG A 77 -1.053 10.303 10.555 1.00 0.00 N ATOM 1179 CA ARG A 77 0.334 10.531 10.949 1.00 0.00 C ATOM 1180 C ARG A 77 1.179 9.282 10.714 1.00 0.00 C ATOM 1181 O ARG A 77 2.314 9.370 10.252 1.00 0.00 O ATOM 1182 CB ARG A 77 0.418 10.948 12.420 1.00 0.00 C ATOM 1183 CG ARG A 77 1.845 11.123 12.925 1.00 0.00 C ATOM 1184 CD ARG A 77 1.871 11.599 14.366 1.00 0.00 C ATOM 1185 NE ARG A 77 1.302 12.934 14.508 1.00 0.00 N ATOM 1186 CZ ARG A 77 1.315 13.630 15.637 1.00 0.00 C ATOM 1187 NH1 ARG A 77 1.824 13.107 16.744 1.00 0.00 N ATOM 1188 NH2 ARG A 77 0.813 14.850 15.654 1.00 0.00 N ATOM 0 H ARG A 77 -1.715 10.280 11.331 1.00 0.00 H new ATOM 0 HA ARG A 77 0.727 11.339 10.332 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.123 11.884 12.555 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.085 10.198 13.031 1.00 0.00 H new ATOM 0 HG2 ARG A 77 2.379 10.176 12.844 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.370 11.841 12.294 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.315 10.899 14.990 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.899 11.602 14.729 1.00 0.00 H new ATOM 0 HE ARG A 77 0.867 13.359 13.689 1.00 0.00 H new ATOM 0 HH11 ARG A 77 2.209 12.163 16.731 1.00 0.00 H new ATOM 0 HH12 ARG A 77 1.830 13.649 17.608 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.419 15.251 14.803 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.819 15.392 16.518 1.00 0.00 H new ATOM 1202 N LYS A 78 0.612 8.122 11.019 1.00 0.00 N ATOM 1203 CA LYS A 78 1.324 6.858 10.860 1.00 0.00 C ATOM 1204 C LYS A 78 1.494 6.513 9.388 1.00 0.00 C ATOM 1205 O LYS A 78 2.537 6.016 8.980 1.00 0.00 O ATOM 1206 CB LYS A 78 0.601 5.725 11.595 1.00 0.00 C ATOM 1207 CG LYS A 78 1.113 5.477 13.012 1.00 0.00 C ATOM 1208 CD LYS A 78 1.020 6.728 13.878 1.00 0.00 C ATOM 1209 CE LYS A 78 1.428 6.450 15.318 1.00 0.00 C ATOM 1210 NZ LYS A 78 1.387 7.680 16.153 1.00 0.00 N ATOM 0 H LYS A 78 -0.338 8.029 11.378 1.00 0.00 H new ATOM 0 HA LYS A 78 2.314 6.975 11.302 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.463 5.956 11.640 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.704 4.807 11.017 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.536 4.674 13.471 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.149 5.141 12.970 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.660 7.506 13.463 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.001 7.110 13.857 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.764 5.699 15.745 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.435 6.032 15.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.671 7.449 17.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.040 8.388 15.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.421 8.065 16.157 1.00 0.00 H new ATOM 1224 N LYS A 79 0.470 6.795 8.594 1.00 0.00 N ATOM 1225 CA LYS A 79 0.546 6.577 7.153 1.00 0.00 C ATOM 1226 C LYS A 79 1.646 7.444 6.548 1.00 0.00 C ATOM 1227 O LYS A 79 2.443 6.986 5.728 1.00 0.00 O ATOM 1228 CB LYS A 79 -0.799 6.898 6.496 1.00 0.00 C ATOM 1229 CG LYS A 79 -0.887 6.469 5.039 1.00 0.00 C ATOM 1230 CD LYS A 79 -2.154 6.987 4.371 1.00 0.00 C ATOM 1231 CE LYS A 79 -2.326 6.408 2.977 1.00 0.00 C ATOM 1232 NZ LYS A 79 -2.659 4.959 3.015 1.00 0.00 N ATOM 0 H LYS A 79 -0.420 7.173 8.920 1.00 0.00 H new ATOM 0 HA LYS A 79 0.783 5.529 6.970 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.594 6.408 7.058 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.978 7.971 6.561 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.015 6.837 4.499 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.863 5.381 4.979 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.019 6.730 4.982 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.117 8.075 4.312 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.115 6.948 2.454 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.408 6.555 2.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.286 4.495 2.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.232 4.527 3.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.692 4.841 3.050 1.00 0.00 H new ATOM 1246 N GLU A 80 1.687 8.699 6.979 1.00 0.00 N ATOM 1247 CA GLU A 80 2.702 9.648 6.534 1.00 0.00 C ATOM 1248 C GLU A 80 4.088 9.224 7.014 1.00 0.00 C ATOM 1249 O GLU A 80 5.065 9.278 6.264 1.00 0.00 O ATOM 1250 CB GLU A 80 2.359 11.038 7.066 1.00 0.00 C ATOM 1251 CG GLU A 80 3.421 12.091 6.803 1.00 0.00 C ATOM 1252 CD GLU A 80 3.043 13.432 7.393 1.00 0.00 C ATOM 1253 OE1 GLU A 80 2.667 13.475 8.587 1.00 0.00 O ATOM 1254 OE2 GLU A 80 3.113 14.447 6.672 1.00 0.00 O ATOM 0 H GLU A 80 1.020 9.088 7.645 1.00 0.00 H new ATOM 0 HA GLU A 80 2.716 9.668 5.444 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.422 11.365 6.616 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.190 10.971 8.141 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.370 11.763 7.226 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.570 12.196 5.728 1.00 0.00 H new ATOM 1261 N GLN A 81 4.159 8.794 8.269 1.00 0.00 N ATOM 1262 CA GLN A 81 5.409 8.345 8.863 1.00 0.00 C ATOM 1263 C GLN A 81 5.959 7.151 8.099 1.00 0.00 C ATOM 1264 O GLN A 81 7.156 7.064 7.843 1.00 0.00 O ATOM 1265 CB GLN A 81 5.189 7.966 10.331 1.00 0.00 C ATOM 1266 CG GLN A 81 6.476 7.789 11.123 1.00 0.00 C ATOM 1267 CD GLN A 81 7.289 9.072 11.216 1.00 0.00 C ATOM 1268 OE1 GLN A 81 6.609 10.210 11.217 1.00 0.00 O flip ATOM 1269 NE2 GLN A 81 8.518 9.038 11.300 1.00 0.00 N flip ATOM 0 H GLN A 81 3.357 8.748 8.898 1.00 0.00 H new ATOM 0 HA GLN A 81 6.131 9.160 8.810 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.584 8.737 10.808 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.617 7.039 10.375 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.235 7.443 12.128 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.082 7.013 10.655 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.005 8.142 11.296 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.048 9.906 11.374 1.00 0.00 H new ATOM 1278 N LEU A 82 5.066 6.251 7.720 1.00 0.00 N ATOM 1279 CA LEU A 82 5.441 5.033 7.016 1.00 0.00 C ATOM 1280 C LEU A 82 6.017 5.363 5.642 1.00 0.00 C ATOM 1281 O LEU A 82 7.007 4.771 5.219 1.00 0.00 O ATOM 1282 CB LEU A 82 4.218 4.118 6.895 1.00 0.00 C ATOM 1283 CG LEU A 82 4.504 2.653 6.553 1.00 0.00 C ATOM 1284 CD1 LEU A 82 3.403 1.774 7.118 1.00 0.00 C ATOM 1285 CD2 LEU A 82 4.614 2.454 5.045 1.00 0.00 C ATOM 0 H LEU A 82 4.064 6.342 7.890 1.00 0.00 H new ATOM 0 HA LEU A 82 6.215 4.513 7.581 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.671 4.150 7.837 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.558 4.527 6.130 1.00 0.00 H new ATOM 0 HG LEU A 82 5.458 2.372 7.000 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.608 0.732 6.874 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.363 1.892 8.201 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.446 2.066 6.686 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.817 1.405 4.830 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.678 2.747 4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.426 3.068 4.655 1.00 0.00 H new ATOM 1297 N VAL A 83 5.402 6.318 4.955 1.00 0.00 N ATOM 1298 CA VAL A 83 5.890 6.750 3.651 1.00 0.00 C ATOM 1299 C VAL A 83 7.216 7.486 3.790 1.00 0.00 C ATOM 1300 O VAL A 83 8.095 7.371 2.938 1.00 0.00 O ATOM 1301 CB VAL A 83 4.858 7.639 2.929 1.00 0.00 C ATOM 1302 CG1 VAL A 83 5.425 8.208 1.637 1.00 0.00 C ATOM 1303 CG2 VAL A 83 3.608 6.831 2.645 1.00 0.00 C ATOM 0 H VAL A 83 4.567 6.807 5.278 1.00 0.00 H new ATOM 0 HA VAL A 83 6.046 5.857 3.046 1.00 0.00 H new ATOM 0 HB VAL A 83 4.610 8.479 3.578 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.673 8.830 1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.305 8.811 1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.704 7.391 0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.877 7.458 2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.861 5.980 2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.185 6.472 3.584 1.00 0.00 H new ATOM 1313 N SER A 84 7.367 8.221 4.877 1.00 0.00 N ATOM 1314 CA SER A 84 8.630 8.874 5.180 1.00 0.00 C ATOM 1315 C SER A 84 9.689 7.826 5.514 1.00 0.00 C ATOM 1316 O SER A 84 10.886 8.043 5.330 1.00 0.00 O ATOM 1317 CB SER A 84 8.446 9.850 6.340 1.00 0.00 C ATOM 1318 OG SER A 84 7.461 10.823 6.025 1.00 0.00 O ATOM 0 H SER A 84 6.631 8.381 5.565 1.00 0.00 H new ATOM 0 HA SER A 84 8.965 9.436 4.308 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.152 9.305 7.237 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.393 10.342 6.562 1.00 0.00 H new ATOM 0 HG SER A 84 6.570 10.418 6.085 1.00 0.00 H new ATOM 1324 N LEU A 85 9.223 6.675 5.977 1.00 0.00 N ATOM 1325 CA LEU A 85 10.093 5.559 6.313 1.00 0.00 C ATOM 1326 C LEU A 85 10.211 4.578 5.148 1.00 0.00 C ATOM 1327 O LEU A 85 10.634 3.438 5.339 1.00 0.00 O ATOM 1328 CB LEU A 85 9.575 4.833 7.565 1.00 0.00 C ATOM 1329 CG LEU A 85 10.226 5.246 8.891 1.00 0.00 C ATOM 1330 CD1 LEU A 85 11.701 4.877 8.896 1.00 0.00 C ATOM 1331 CD2 LEU A 85 10.054 6.737 9.144 1.00 0.00 C ATOM 0 H LEU A 85 8.232 6.489 6.130 1.00 0.00 H new ATOM 0 HA LEU A 85 11.085 5.960 6.520 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.501 5.001 7.641 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.721 3.762 7.428 1.00 0.00 H new ATOM 0 HG LEU A 85 9.726 4.705 9.694 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.148 5.177 9.844 1.00 0.00 H new ATOM 0 HD12 LEU A 85 11.807 3.800 8.770 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.207 5.390 8.078 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.525 7.002 10.091 1.00 0.00 H new ATOM 0 HD22 LEU A 85 10.522 7.299 8.336 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.992 6.979 9.187 1.00 0.00 H new ATOM 1343 N LYS A 86 9.828 5.018 3.946 1.00 0.00 N ATOM 1344 CA LYS A 86 10.049 4.223 2.741 1.00 0.00 C ATOM 1345 C LYS A 86 11.530 3.867 2.608 1.00 0.00 C ATOM 1346 O LYS A 86 12.398 4.577 3.125 1.00 0.00 O ATOM 1347 CB LYS A 86 9.580 4.976 1.490 1.00 0.00 C ATOM 1348 CG LYS A 86 10.403 6.219 1.174 1.00 0.00 C ATOM 1349 CD LYS A 86 9.929 6.891 -0.104 1.00 0.00 C ATOM 1350 CE LYS A 86 10.789 8.097 -0.457 1.00 0.00 C ATOM 1351 NZ LYS A 86 10.351 8.744 -1.721 1.00 0.00 N ATOM 0 H LYS A 86 9.367 5.914 3.785 1.00 0.00 H new ATOM 0 HA LYS A 86 9.465 3.307 2.830 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.617 4.300 0.636 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.538 5.266 1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 86 10.334 6.923 2.003 1.00 0.00 H new ATOM 0 HG3 LYS A 86 11.453 5.946 1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 86 9.954 6.173 -0.924 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.892 7.205 0.013 1.00 0.00 H new ATOM 0 HE2 LYS A 86 10.746 8.823 0.355 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.829 7.785 -0.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 10.963 9.560 -1.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.416 8.060 -2.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 9.367 9.065 -1.624 1.00 0.00 H new ATOM 1365 N GLY A 87 11.813 2.790 1.889 1.00 0.00 N ATOM 1366 CA GLY A 87 13.174 2.291 1.777 1.00 0.00 C ATOM 1367 C GLY A 87 14.043 3.089 0.819 1.00 0.00 C ATOM 1368 O GLY A 87 14.941 2.521 0.207 1.00 0.00 O ATOM 0 H GLY A 87 11.119 2.247 1.376 1.00 0.00 H new ATOM 0 HA2 GLY A 87 13.636 2.299 2.764 1.00 0.00 H new ATOM 0 HA3 GLY A 87 13.144 1.253 1.447 1.00 0.00 H new ATOM 1372 N GLY A 88 13.727 4.386 0.683 1.00 0.00 N ATOM 1373 CA GLY A 88 14.499 5.355 -0.108 1.00 0.00 C ATOM 1374 C GLY A 88 15.969 5.011 -0.321 1.00 0.00 C ATOM 1375 O GLY A 88 16.309 4.150 -1.133 1.00 0.00 O ATOM 0 H GLY A 88 12.909 4.799 1.130 1.00 0.00 H new ATOM 0 HA2 GLY A 88 14.024 5.461 -1.083 1.00 0.00 H new ATOM 0 HA3 GLY A 88 14.439 6.327 0.382 1.00 0.00 H new ATOM 1379 N PRO A 89 16.874 5.750 0.335 1.00 0.00 N ATOM 1380 CA PRO A 89 18.302 5.463 0.305 1.00 0.00 C ATOM 1381 C PRO A 89 18.727 4.507 1.424 1.00 0.00 C ATOM 1382 O PRO A 89 19.908 4.413 1.761 1.00 0.00 O ATOM 1383 CB PRO A 89 18.912 6.844 0.520 1.00 0.00 C ATOM 1384 CG PRO A 89 17.944 7.549 1.412 1.00 0.00 C ATOM 1385 CD PRO A 89 16.580 6.958 1.133 1.00 0.00 C ATOM 0 HA PRO A 89 18.614 4.969 -0.615 1.00 0.00 H new ATOM 0 HB2 PRO A 89 19.897 6.775 0.981 1.00 0.00 H new ATOM 0 HB3 PRO A 89 19.038 7.373 -0.425 1.00 0.00 H new ATOM 0 HG2 PRO A 89 18.216 7.416 2.459 1.00 0.00 H new ATOM 0 HG3 PRO A 89 17.948 8.621 1.216 1.00 0.00 H new ATOM 0 HD2 PRO A 89 16.056 6.710 2.056 1.00 0.00 H new ATOM 0 HD3 PRO A 89 15.947 7.655 0.584 1.00 0.00 H new ATOM 1393 N TYR A 90 17.758 3.795 1.992 1.00 0.00 N ATOM 1394 CA TYR A 90 18.028 2.854 3.063 1.00 0.00 C ATOM 1395 C TYR A 90 17.029 1.701 3.009 1.00 0.00 C ATOM 1396 O TYR A 90 15.901 1.793 3.486 1.00 0.00 O ATOM 1397 CB TYR A 90 18.032 3.543 4.445 1.00 0.00 C ATOM 1398 CG TYR A 90 16.749 4.250 4.844 1.00 0.00 C ATOM 1399 CD1 TYR A 90 16.376 5.456 4.260 1.00 0.00 C ATOM 1400 CD2 TYR A 90 15.920 3.715 5.824 1.00 0.00 C ATOM 1401 CE1 TYR A 90 15.216 6.104 4.639 1.00 0.00 C ATOM 1402 CE2 TYR A 90 14.762 4.360 6.209 1.00 0.00 C ATOM 1403 CZ TYR A 90 14.414 5.553 5.613 1.00 0.00 C ATOM 1404 OH TYR A 90 13.265 6.201 6.003 1.00 0.00 O ATOM 0 H TYR A 90 16.776 3.856 1.724 1.00 0.00 H new ATOM 0 HA TYR A 90 19.029 2.448 2.918 1.00 0.00 H new ATOM 0 HB2 TYR A 90 18.259 2.792 5.202 1.00 0.00 H new ATOM 0 HB3 TYR A 90 18.844 4.270 4.463 1.00 0.00 H new ATOM 0 HD1 TYR A 90 17.004 5.893 3.498 1.00 0.00 H new ATOM 0 HD2 TYR A 90 16.187 2.779 6.292 1.00 0.00 H new ATOM 0 HE1 TYR A 90 14.940 7.038 4.173 1.00 0.00 H new ATOM 0 HE2 TYR A 90 14.131 3.932 6.974 1.00 0.00 H new ATOM 0 HH TYR A 90 12.901 6.705 5.246 1.00 0.00 H new ATOM 1414 N GLU A 91 17.459 0.626 2.375 1.00 0.00 N ATOM 1415 CA GLU A 91 16.629 -0.555 2.197 1.00 0.00 C ATOM 1416 C GLU A 91 16.460 -1.308 3.520 1.00 0.00 C ATOM 1417 O GLU A 91 17.213 -1.083 4.470 1.00 0.00 O ATOM 1418 CB GLU A 91 17.264 -1.456 1.135 1.00 0.00 C ATOM 1419 CG GLU A 91 16.391 -2.620 0.694 1.00 0.00 C ATOM 1420 CD GLU A 91 17.039 -3.436 -0.402 1.00 0.00 C ATOM 1421 OE1 GLU A 91 17.890 -4.291 -0.090 1.00 0.00 O ATOM 1422 OE2 GLU A 91 16.702 -3.221 -1.585 1.00 0.00 O ATOM 0 H GLU A 91 18.391 0.545 1.969 1.00 0.00 H new ATOM 0 HA GLU A 91 15.636 -0.251 1.865 1.00 0.00 H new ATOM 0 HB2 GLU A 91 17.509 -0.851 0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.203 -1.849 1.524 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.185 -3.263 1.550 1.00 0.00 H new ATOM 0 HG3 GLU A 91 15.432 -2.240 0.343 1.00 0.00 H new ATOM 1429 N ASN A 92 15.442 -2.179 3.572 1.00 0.00 N ATOM 1430 CA ASN A 92 15.123 -3.005 4.752 1.00 0.00 C ATOM 1431 C ASN A 92 14.428 -2.190 5.837 1.00 0.00 C ATOM 1432 O ASN A 92 13.524 -2.693 6.503 1.00 0.00 O ATOM 1433 CB ASN A 92 16.359 -3.702 5.338 1.00 0.00 C ATOM 1434 CG ASN A 92 16.826 -4.899 4.524 1.00 0.00 C ATOM 1435 OD1 ASN A 92 16.694 -4.824 3.209 1.00 0.00 O flip ATOM 1436 ND2 ASN A 92 17.315 -5.881 5.078 1.00 0.00 N flip ATOM 0 H ASN A 92 14.808 -2.334 2.788 1.00 0.00 H new ATOM 0 HA ASN A 92 14.441 -3.778 4.398 1.00 0.00 H new ATOM 0 HB2 ASN A 92 17.173 -2.981 5.408 1.00 0.00 H new ATOM 0 HB3 ASN A 92 16.134 -4.029 6.353 1.00 0.00 H new ATOM 0 HD21 ASN A 92 17.401 -5.903 6.094 1.00 0.00 H new ATOM 0 HD22 ASN A 92 17.635 -6.674 4.522 1.00 0.00 H new ATOM 1443 N THR A 93 14.868 -0.944 6.012 1.00 0.00 N ATOM 1444 CA THR A 93 14.271 0.001 6.964 1.00 0.00 C ATOM 1445 C THR A 93 14.191 -0.560 8.388 1.00 0.00 C ATOM 1446 O THR A 93 13.397 -0.092 9.205 1.00 0.00 O ATOM 1447 CB THR A 93 12.868 0.476 6.505 1.00 0.00 C ATOM 1448 OG1 THR A 93 11.982 -0.634 6.302 1.00 0.00 O ATOM 1449 CG2 THR A 93 12.971 1.279 5.221 1.00 0.00 C ATOM 0 H THR A 93 15.656 -0.556 5.494 1.00 0.00 H new ATOM 0 HA THR A 93 14.943 0.859 6.983 1.00 0.00 H new ATOM 0 HB THR A 93 12.462 1.106 7.296 1.00 0.00 H new ATOM 0 HG1 THR A 93 12.368 -1.439 6.707 1.00 0.00 H new ATOM 0 HG21 THR A 93 11.977 1.604 4.914 1.00 0.00 H new ATOM 0 HG22 THR A 93 13.603 2.152 5.387 1.00 0.00 H new ATOM 0 HG23 THR A 93 13.408 0.659 4.438 1.00 0.00 H new ATOM 1457 N THR A 94 15.033 -1.543 8.691 1.00 0.00 N ATOM 1458 CA THR A 94 15.069 -2.125 10.020 1.00 0.00 C ATOM 1459 C THR A 94 15.713 -1.142 11.005 1.00 0.00 C ATOM 1460 O THR A 94 16.931 -0.960 11.037 1.00 0.00 O ATOM 1461 CB THR A 94 15.798 -3.495 10.028 1.00 0.00 C ATOM 1462 OG1 THR A 94 15.905 -3.991 11.368 1.00 0.00 O ATOM 1463 CG2 THR A 94 17.183 -3.404 9.398 1.00 0.00 C ATOM 0 H THR A 94 15.697 -1.950 8.032 1.00 0.00 H new ATOM 0 HA THR A 94 14.044 -2.314 10.338 1.00 0.00 H new ATOM 0 HB THR A 94 15.203 -4.185 9.430 1.00 0.00 H new ATOM 0 HG1 THR A 94 16.365 -4.856 11.361 1.00 0.00 H new ATOM 0 HG21 THR A 94 17.659 -4.384 9.424 1.00 0.00 H new ATOM 0 HG22 THR A 94 17.091 -3.072 8.364 1.00 0.00 H new ATOM 0 HG23 THR A 94 17.790 -2.691 9.955 1.00 0.00 H new ATOM 1471 N LYS A 95 14.866 -0.467 11.762 1.00 0.00 N ATOM 1472 CA LYS A 95 15.311 0.556 12.699 1.00 0.00 C ATOM 1473 C LYS A 95 14.512 0.453 13.985 1.00 0.00 C ATOM 1474 O LYS A 95 14.526 1.367 14.805 1.00 0.00 O ATOM 1475 CB LYS A 95 15.112 1.944 12.074 1.00 0.00 C ATOM 1476 CG LYS A 95 13.646 2.323 11.856 1.00 0.00 C ATOM 1477 CD LYS A 95 13.131 3.219 12.979 1.00 0.00 C ATOM 1478 CE LYS A 95 11.787 3.845 12.642 1.00 0.00 C ATOM 1479 NZ LYS A 95 11.347 4.814 13.686 1.00 0.00 N ATOM 0 H LYS A 95 13.856 -0.609 11.747 1.00 0.00 H new ATOM 0 HA LYS A 95 16.368 0.409 12.922 1.00 0.00 H new ATOM 0 HB2 LYS A 95 15.578 2.691 12.717 1.00 0.00 H new ATOM 0 HB3 LYS A 95 15.632 1.978 11.117 1.00 0.00 H new ATOM 0 HG2 LYS A 95 13.539 2.837 10.900 1.00 0.00 H new ATOM 0 HG3 LYS A 95 13.039 1.419 11.802 1.00 0.00 H new ATOM 0 HD2 LYS A 95 13.039 2.635 13.895 1.00 0.00 H new ATOM 0 HD3 LYS A 95 13.858 4.007 13.176 1.00 0.00 H new ATOM 0 HE2 LYS A 95 11.854 4.353 11.680 1.00 0.00 H new ATOM 0 HE3 LYS A 95 11.038 3.061 12.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.596 5.422 13.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 10.983 4.295 14.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 12.154 5.402 13.976 1.00 0.00 H new ATOM 1493 N LEU A 96 13.840 -0.683 14.143 1.00 0.00 N ATOM 1494 CA LEU A 96 12.805 -0.875 15.159 1.00 0.00 C ATOM 1495 C LEU A 96 13.220 -0.397 16.550 1.00 0.00 C ATOM 1496 O LEU A 96 13.814 -1.131 17.338 1.00 0.00 O ATOM 1497 CB LEU A 96 12.389 -2.338 15.183 1.00 0.00 C ATOM 1498 CG LEU A 96 11.711 -2.805 13.898 1.00 0.00 C ATOM 1499 CD1 LEU A 96 11.834 -4.306 13.742 1.00 0.00 C ATOM 1500 CD2 LEU A 96 10.248 -2.391 13.890 1.00 0.00 C ATOM 0 H LEU A 96 13.999 -1.507 13.563 1.00 0.00 H new ATOM 0 HA LEU A 96 11.955 -0.252 14.880 1.00 0.00 H new ATOM 0 HB2 LEU A 96 13.270 -2.954 15.363 1.00 0.00 H new ATOM 0 HB3 LEU A 96 11.711 -2.500 16.021 1.00 0.00 H new ATOM 0 HG LEU A 96 12.213 -2.330 13.055 1.00 0.00 H new ATOM 0 HD11 LEU A 96 11.344 -4.617 12.820 1.00 0.00 H new ATOM 0 HD12 LEU A 96 12.888 -4.583 13.704 1.00 0.00 H new ATOM 0 HD13 LEU A 96 11.359 -4.800 14.590 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.779 -2.731 12.967 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.738 -2.839 14.743 1.00 0.00 H new ATOM 0 HD23 LEU A 96 10.177 -1.305 13.954 1.00 0.00 H new ATOM 1512 N SER A 97 12.917 0.865 16.806 1.00 0.00 N ATOM 1513 CA SER A 97 13.124 1.503 18.089 1.00 0.00 C ATOM 1514 C SER A 97 12.213 2.717 18.167 1.00 0.00 C ATOM 1515 O SER A 97 12.582 3.818 17.760 1.00 0.00 O ATOM 1516 CB SER A 97 14.587 1.921 18.277 1.00 0.00 C ATOM 1517 OG SER A 97 15.454 0.797 18.268 1.00 0.00 O ATOM 0 H SER A 97 12.510 1.487 16.107 1.00 0.00 H new ATOM 0 HA SER A 97 12.887 0.798 18.886 1.00 0.00 H new ATOM 0 HB2 SER A 97 14.875 2.610 17.483 1.00 0.00 H new ATOM 0 HB3 SER A 97 14.695 2.458 19.220 1.00 0.00 H new ATOM 0 HG SER A 97 14.923 -0.026 18.227 1.00 0.00 H new ATOM 1523 N THR A 98 10.992 2.491 18.614 1.00 0.00 N ATOM 1524 CA THR A 98 9.993 3.543 18.657 1.00 0.00 C ATOM 1525 C THR A 98 8.991 3.281 19.780 1.00 0.00 C ATOM 1526 O THR A 98 8.531 4.207 20.446 1.00 0.00 O ATOM 1527 CB THR A 98 9.263 3.663 17.297 1.00 0.00 C ATOM 1528 OG1 THR A 98 10.230 3.886 16.255 1.00 0.00 O ATOM 1529 CG2 THR A 98 8.253 4.805 17.306 1.00 0.00 C ATOM 0 H THR A 98 10.667 1.586 18.953 1.00 0.00 H new ATOM 0 HA THR A 98 10.499 4.487 18.856 1.00 0.00 H new ATOM 0 HB THR A 98 8.722 2.734 17.117 1.00 0.00 H new ATOM 0 HG1 THR A 98 10.470 3.030 15.843 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.759 4.861 16.336 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.509 4.627 18.083 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.768 5.745 17.506 1.00 0.00 H new ATOM 1537 N THR A 99 8.660 2.015 19.997 1.00 0.00 N ATOM 1538 CA THR A 99 7.797 1.644 21.104 1.00 0.00 C ATOM 1539 C THR A 99 8.309 0.388 21.799 1.00 0.00 C ATOM 1540 O THR A 99 8.413 -0.674 21.186 1.00 0.00 O ATOM 1541 CB THR A 99 6.346 1.412 20.651 1.00 0.00 C ATOM 1542 OG1 THR A 99 5.908 2.504 19.831 1.00 0.00 O ATOM 1543 CG2 THR A 99 5.438 1.291 21.865 1.00 0.00 C ATOM 0 H THR A 99 8.975 1.233 19.423 1.00 0.00 H new ATOM 0 HA THR A 99 7.812 2.480 21.803 1.00 0.00 H new ATOM 0 HB THR A 99 6.300 0.489 20.073 1.00 0.00 H new ATOM 0 HG1 THR A 99 4.984 2.348 19.545 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.412 1.127 21.537 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.762 0.450 22.479 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.489 2.209 22.451 1.00 0.00 H new TER 1551 THR A 99