USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 581 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 38 MET CE :methyl -149:sc= 0 (180deg=-0.4) USER MOD Set 1.2: A 44 MET CE :methyl -160:sc= -0.0838 (180deg=-0.578) USER MOD Set 2.1: A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 36 MET CE :methyl -167:sc= 0 (180deg=-0.205) USER MOD Set 3.1: A 26 MET CE :methyl 168:sc= -1.48 (180deg=-2.21!) USER MOD Set 3.2: A 54 MET CE :methyl 148:sc= -0.834 (180deg=-2.54!) USER MOD Set 4.1: A 3 MET CE :methyl -122:sc= -0.0317 (180deg=-0.367) USER MOD Set 4.2: A 9 THR OG1 : rot -82:sc= 0.883 USER MOD Set 4.3: A 19 HIS : no HD1:sc= -3.73! C(o=-2.9!,f=-15!) USER MOD Single : A 1 VAL N :NH3+ -128:sc= -0.149 (180deg=-0.303) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -5.95! K(o=-5.9!,f=-0.95) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 70:sc= -4.98! USER MOD Single : A 13 GLN : amide:sc= 0.0345 X(o=0.034,f=0) USER MOD Single : A 16 SER OG : rot 180:sc=-0.00178 USER MOD Single : A 17 LYS NZ :NH3+ -127:sc= 0.749 (180deg=-1.01) USER MOD Single : A 22 LYS NZ :NH3+ -105:sc= 0.259 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 132:sc= 1.18 (180deg=1.04) USER MOD Single : A 30 ASN : amide:sc= -2.04! C(o=-2!,f=-9.5!) USER MOD Single : A 31 LYS NZ :NH3+ -165:sc= 1.24 (180deg=0.933) USER MOD Single : A 34 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.054) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0586 USER MOD Single : A 37 ASN : amide:sc= -0.0223 X(o=-0.022,f=-0.024) USER MOD Single : A 42 LYS NZ :NH3+ 166:sc= -0.0621 (180deg=-0.32) USER MOD Single : A 46 THR OG1 : rot -66:sc= 1.72 USER MOD Single : A 50 THR OG1 : rot 79:sc= 1.23 USER MOD Single : A 51 LYS NZ :NH3+ -172:sc= 0.759 (180deg=0.548) USER MOD Single : A 55 LYS NZ :NH3+ -170:sc= -0.0101 (180deg=-0.136) USER MOD Single : A 57 ASN : amide:sc= -2.35! K(o=-2.4!,f=-0.08) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.65 X(o=-0.65,f=-0.83) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 13.387 -1.630 3.636 1.00 2.42 N ATOM 2 CA VAL A 1 13.052 -0.191 3.749 1.00 1.98 C ATOM 3 C VAL A 1 12.970 0.220 5.211 1.00 1.83 C ATOM 4 O VAL A 1 12.931 -0.631 6.101 1.00 2.26 O ATOM 5 CB VAL A 1 11.697 0.141 3.081 1.00 1.77 C ATOM 6 CG1 VAL A 1 11.681 -0.279 1.619 1.00 2.46 C ATOM 7 CG2 VAL A 1 10.549 -0.504 3.844 1.00 1.89 C ATOM 0 H1 VAL A 1 14.202 -1.748 3.001 1.00 2.42 H new ATOM 0 H2 VAL A 1 13.624 -2.006 4.576 1.00 2.42 H new ATOM 0 H3 VAL A 1 12.571 -2.147 3.252 1.00 2.42 H new ATOM 0 HA VAL A 1 13.844 0.356 3.239 1.00 1.98 H new ATOM 0 HB VAL A 1 11.566 1.223 3.114 1.00 1.77 H new ATOM 0 HG11 VAL A 1 10.715 -0.031 1.180 1.00 2.46 H new ATOM 0 HG12 VAL A 1 12.470 0.247 1.081 1.00 2.46 H new ATOM 0 HG13 VAL A 1 11.847 -1.354 1.547 1.00 2.46 H new ATOM 0 HG21 VAL A 1 9.605 -0.258 3.358 1.00 1.89 H new ATOM 0 HG22 VAL A 1 10.681 -1.586 3.854 1.00 1.89 H new ATOM 0 HG23 VAL A 1 10.538 -0.131 4.868 1.00 1.89 H new ATOM 19 N ASP A 2 12.946 1.522 5.455 1.00 1.77 N ATOM 20 CA ASP A 2 12.700 2.034 6.791 1.00 1.63 C ATOM 21 C ASP A 2 11.204 2.019 7.074 1.00 1.22 C ATOM 22 O ASP A 2 10.399 2.415 6.227 1.00 1.60 O ATOM 23 CB ASP A 2 13.248 3.451 6.945 1.00 2.00 C ATOM 24 CG ASP A 2 12.983 4.018 8.324 1.00 2.77 C ATOM 25 OD1 ASP A 2 13.789 3.756 9.243 1.00 3.48 O ATOM 26 OD2 ASP A 2 11.969 4.722 8.500 1.00 3.11 O ATOM 0 H ASP A 2 13.094 2.240 4.746 1.00 1.77 H new ATOM 0 HA ASP A 2 13.214 1.394 7.508 1.00 1.63 H new ATOM 0 HB2 ASP A 2 14.321 3.447 6.756 1.00 2.00 H new ATOM 0 HB3 ASP A 2 12.794 4.098 6.194 1.00 2.00 H new ATOM 31 N MET A 3 10.834 1.556 8.255 1.00 0.96 N ATOM 32 CA MET A 3 9.440 1.389 8.605 1.00 0.96 C ATOM 33 C MET A 3 9.040 2.377 9.693 1.00 0.91 C ATOM 34 O MET A 3 7.998 2.244 10.333 1.00 1.26 O ATOM 35 CB MET A 3 9.196 -0.042 9.068 1.00 1.43 C ATOM 36 CG MET A 3 9.767 -1.090 8.120 1.00 1.59 C ATOM 37 SD MET A 3 9.058 -2.729 8.363 1.00 2.01 S ATOM 38 CE MET A 3 7.425 -2.475 7.670 1.00 2.17 C ATOM 0 H MET A 3 11.487 1.288 8.991 1.00 0.96 H new ATOM 0 HA MET A 3 8.827 1.587 7.725 1.00 0.96 H new ATOM 0 HB2 MET A 3 9.637 -0.177 10.055 1.00 1.43 H new ATOM 0 HB3 MET A 3 8.123 -0.204 9.174 1.00 1.43 H new ATOM 0 HG2 MET A 3 9.592 -0.774 7.092 1.00 1.59 H new ATOM 0 HG3 MET A 3 10.847 -1.144 8.257 1.00 1.59 H new ATOM 0 HE1 MET A 3 6.671 -2.697 8.425 1.00 2.17 H new ATOM 0 HE2 MET A 3 7.323 -1.438 7.349 1.00 2.17 H new ATOM 0 HE3 MET A 3 7.286 -3.135 6.814 1.00 2.17 H new ATOM 48 N SER A 4 9.872 3.380 9.883 1.00 0.78 N ATOM 49 CA SER A 4 9.617 4.412 10.872 1.00 0.78 C ATOM 50 C SER A 4 8.827 5.556 10.239 1.00 0.72 C ATOM 51 O SER A 4 8.133 6.306 10.921 1.00 0.81 O ATOM 52 CB SER A 4 10.947 4.915 11.447 1.00 0.86 C ATOM 53 OG SER A 4 10.751 5.826 12.516 1.00 1.47 O ATOM 0 H SER A 4 10.739 3.505 9.361 1.00 0.78 H new ATOM 0 HA SER A 4 9.023 3.998 11.687 1.00 0.78 H new ATOM 0 HB2 SER A 4 11.535 4.067 11.797 1.00 0.86 H new ATOM 0 HB3 SER A 4 11.523 5.399 10.659 1.00 0.86 H new ATOM 0 HG SER A 4 11.621 6.123 12.857 1.00 1.47 H new ATOM 59 N ASN A 5 8.914 5.660 8.919 1.00 0.64 N ATOM 60 CA ASN A 5 8.257 6.739 8.181 1.00 0.64 C ATOM 61 C ASN A 5 7.006 6.258 7.455 1.00 0.57 C ATOM 62 O ASN A 5 6.504 6.925 6.560 1.00 0.68 O ATOM 63 CB ASN A 5 9.216 7.352 7.160 1.00 0.69 C ATOM 64 CG ASN A 5 9.948 6.319 6.316 1.00 1.19 C ATOM 65 OD1 ASN A 5 11.064 6.556 5.860 1.00 1.89 O ATOM 66 ND2 ASN A 5 9.330 5.169 6.099 1.00 1.24 N ATOM 0 H ASN A 5 9.435 5.008 8.332 1.00 0.64 H new ATOM 0 HA ASN A 5 7.963 7.488 8.916 1.00 0.64 H new ATOM 0 HB2 ASN A 5 8.656 8.017 6.502 1.00 0.69 H new ATOM 0 HB3 ASN A 5 9.948 7.966 7.685 1.00 0.69 H new ATOM 0 HD21 ASN A 5 9.780 4.446 5.538 1.00 1.24 H new ATOM 0 HD22 ASN A 5 8.403 5.006 6.493 1.00 1.24 H new ATOM 73 N VAL A 6 6.527 5.090 7.815 1.00 0.44 N ATOM 74 CA VAL A 6 5.350 4.529 7.163 1.00 0.40 C ATOM 75 C VAL A 6 4.092 4.718 8.022 1.00 0.40 C ATOM 76 O VAL A 6 4.141 4.562 9.243 1.00 0.47 O ATOM 77 CB VAL A 6 5.580 3.034 6.837 1.00 0.43 C ATOM 78 CG1 VAL A 6 5.695 2.197 8.101 1.00 0.98 C ATOM 79 CG2 VAL A 6 4.491 2.498 5.929 1.00 1.25 C ATOM 0 H VAL A 6 6.926 4.507 8.551 1.00 0.44 H new ATOM 0 HA VAL A 6 5.190 5.067 6.229 1.00 0.40 H new ATOM 0 HB VAL A 6 6.529 2.960 6.306 1.00 0.43 H new ATOM 0 HG11 VAL A 6 5.856 1.153 7.833 1.00 0.98 H new ATOM 0 HG12 VAL A 6 6.535 2.552 8.697 1.00 0.98 H new ATOM 0 HG13 VAL A 6 4.776 2.285 8.681 1.00 0.98 H new ATOM 0 HG21 VAL A 6 4.679 1.445 5.717 1.00 1.25 H new ATOM 0 HG22 VAL A 6 3.524 2.602 6.420 1.00 1.25 H new ATOM 0 HG23 VAL A 6 4.486 3.061 4.995 1.00 1.25 H new ATOM 89 N VAL A 7 2.974 5.098 7.389 1.00 0.38 N ATOM 90 CA VAL A 7 1.704 5.225 8.112 1.00 0.41 C ATOM 91 C VAL A 7 1.026 3.869 8.217 1.00 0.37 C ATOM 92 O VAL A 7 0.296 3.596 9.172 1.00 0.42 O ATOM 93 CB VAL A 7 0.706 6.242 7.476 1.00 0.52 C ATOM 94 CG1 VAL A 7 1.258 7.652 7.517 1.00 0.94 C ATOM 95 CG2 VAL A 7 0.335 5.873 6.047 1.00 1.03 C ATOM 0 H VAL A 7 2.923 5.319 6.395 1.00 0.38 H new ATOM 0 HA VAL A 7 1.965 5.613 9.097 1.00 0.41 H new ATOM 0 HB VAL A 7 -0.202 6.198 8.078 1.00 0.52 H new ATOM 0 HG11 VAL A 7 0.540 8.337 7.067 1.00 0.94 H new ATOM 0 HG12 VAL A 7 1.437 7.943 8.552 1.00 0.94 H new ATOM 0 HG13 VAL A 7 2.195 7.692 6.962 1.00 0.94 H new ATOM 0 HG21 VAL A 7 -0.361 6.611 5.650 1.00 1.03 H new ATOM 0 HG22 VAL A 7 1.234 5.854 5.431 1.00 1.03 H new ATOM 0 HG23 VAL A 7 -0.134 4.889 6.035 1.00 1.03 H new ATOM 105 N LYS A 8 1.285 3.019 7.230 1.00 0.34 N ATOM 106 CA LYS A 8 0.757 1.669 7.223 1.00 0.35 C ATOM 107 C LYS A 8 1.422 0.833 6.149 1.00 0.31 C ATOM 108 O LYS A 8 1.539 1.242 4.992 1.00 0.35 O ATOM 109 CB LYS A 8 -0.760 1.664 7.027 1.00 0.44 C ATOM 110 CG LYS A 8 -1.380 0.281 7.154 1.00 0.50 C ATOM 111 CD LYS A 8 -1.084 -0.329 8.515 1.00 0.57 C ATOM 112 CE LYS A 8 -1.608 -1.751 8.626 1.00 1.01 C ATOM 113 NZ LYS A 8 -1.253 -2.363 9.934 1.00 1.41 N ATOM 0 H LYS A 8 1.862 3.248 6.421 1.00 0.34 H new ATOM 0 HA LYS A 8 0.977 1.229 8.196 1.00 0.35 H new ATOM 0 HB2 LYS A 8 -1.216 2.328 7.762 1.00 0.44 H new ATOM 0 HB3 LYS A 8 -0.993 2.070 6.043 1.00 0.44 H new ATOM 0 HG2 LYS A 8 -2.458 0.348 7.009 1.00 0.50 H new ATOM 0 HG3 LYS A 8 -0.992 -0.368 6.369 1.00 0.50 H new ATOM 0 HD2 LYS A 8 -0.008 -0.324 8.688 1.00 0.57 H new ATOM 0 HD3 LYS A 8 -1.535 0.286 9.294 1.00 0.57 H new ATOM 0 HE2 LYS A 8 -2.691 -1.751 8.505 1.00 1.01 H new ATOM 0 HE3 LYS A 8 -1.197 -2.355 7.817 1.00 1.01 H new ATOM 0 HZ1 LYS A 8 -1.626 -3.333 9.976 1.00 1.41 H new ATOM 0 HZ2 LYS A 8 -0.218 -2.385 10.038 1.00 1.41 H new ATOM 0 HZ3 LYS A 8 -1.666 -1.800 10.704 1.00 1.41 H new ATOM 127 N THR A 9 1.867 -0.331 6.557 1.00 0.33 N ATOM 128 CA THR A 9 2.419 -1.307 5.649 1.00 0.32 C ATOM 129 C THR A 9 1.372 -2.373 5.355 1.00 0.35 C ATOM 130 O THR A 9 0.617 -2.777 6.241 1.00 0.39 O ATOM 131 CB THR A 9 3.694 -1.939 6.240 1.00 0.33 C ATOM 132 OG1 THR A 9 4.766 -0.990 6.201 1.00 0.40 O ATOM 133 CG2 THR A 9 4.098 -3.216 5.512 1.00 0.33 C ATOM 0 H THR A 9 1.856 -0.629 7.532 1.00 0.33 H new ATOM 0 HA THR A 9 2.695 -0.814 4.717 1.00 0.32 H new ATOM 0 HB THR A 9 3.478 -2.212 7.273 1.00 0.33 H new ATOM 0 HG1 THR A 9 5.174 -0.994 5.310 1.00 0.40 H new ATOM 0 HG21 THR A 9 5.002 -3.623 5.966 1.00 0.33 H new ATOM 0 HG22 THR A 9 3.293 -3.947 5.587 1.00 0.33 H new ATOM 0 HG23 THR A 9 4.288 -2.992 4.462 1.00 0.33 H new ATOM 141 N TYR A 10 1.325 -2.808 4.109 1.00 0.37 N ATOM 142 CA TYR A 10 0.364 -3.793 3.686 1.00 0.42 C ATOM 143 C TYR A 10 1.027 -5.008 3.125 1.00 0.38 C ATOM 144 O TYR A 10 1.956 -4.931 2.322 1.00 0.35 O ATOM 145 CB TYR A 10 -0.627 -3.207 2.691 1.00 0.47 C ATOM 146 CG TYR A 10 -1.743 -2.505 3.394 1.00 0.60 C ATOM 147 CD1 TYR A 10 -2.753 -3.207 4.023 1.00 0.70 C ATOM 148 CD2 TYR A 10 -1.799 -1.125 3.386 1.00 0.68 C ATOM 149 CE1 TYR A 10 -3.793 -2.544 4.635 1.00 0.84 C ATOM 150 CE2 TYR A 10 -2.835 -0.453 3.983 1.00 0.82 C ATOM 151 CZ TYR A 10 -3.777 -1.248 4.778 1.00 0.91 C ATOM 152 OH TYR A 10 -4.878 -0.498 5.194 1.00 1.06 O ATOM 0 H TYR A 10 1.951 -2.487 3.370 1.00 0.37 H new ATOM 0 HA TYR A 10 -0.190 -4.101 4.572 1.00 0.42 H new ATOM 0 HB2 TYR A 10 -0.114 -2.509 2.030 1.00 0.47 H new ATOM 0 HB3 TYR A 10 -1.031 -4.002 2.064 1.00 0.47 H new ATOM 0 HD1 TYR A 10 -2.727 -4.287 4.035 1.00 0.70 H new ATOM 0 HD2 TYR A 10 -1.013 -0.565 2.901 1.00 0.68 H new ATOM 0 HE1 TYR A 10 -4.637 -3.108 5.003 1.00 0.84 H new ATOM 0 HE2 TYR A 10 -2.952 0.615 3.873 1.00 0.82 H new ATOM 0 HH TYR A 10 -5.060 -0.681 6.139 1.00 1.06 H new ATOM 162 N ASP A 11 0.529 -6.130 3.573 1.00 0.42 N ATOM 163 CA ASP A 11 1.014 -7.411 3.139 1.00 0.42 C ATOM 164 C ASP A 11 0.127 -7.918 2.035 1.00 0.39 C ATOM 165 O ASP A 11 -1.077 -8.089 2.210 1.00 0.40 O ATOM 166 CB ASP A 11 1.049 -8.415 4.293 1.00 0.52 C ATOM 167 CG ASP A 11 2.369 -8.399 5.038 1.00 1.25 C ATOM 168 OD1 ASP A 11 3.397 -8.785 4.445 1.00 1.94 O ATOM 169 OD2 ASP A 11 2.384 -8.023 6.230 1.00 1.69 O ATOM 0 H ASP A 11 -0.229 -6.180 4.253 1.00 0.42 H new ATOM 0 HA ASP A 11 2.035 -7.296 2.775 1.00 0.42 H new ATOM 0 HB2 ASP A 11 0.240 -8.192 4.989 1.00 0.52 H new ATOM 0 HB3 ASP A 11 0.867 -9.417 3.904 1.00 0.52 H new ATOM 174 N LEU A 12 0.732 -8.151 0.903 1.00 0.38 N ATOM 175 CA LEU A 12 0.016 -8.693 -0.230 1.00 0.41 C ATOM 176 C LEU A 12 -0.133 -10.178 -0.002 1.00 0.54 C ATOM 177 O LEU A 12 0.748 -10.804 0.589 1.00 1.50 O ATOM 178 CB LEU A 12 0.739 -8.413 -1.553 1.00 0.40 C ATOM 179 CG LEU A 12 0.963 -6.931 -1.876 1.00 0.46 C ATOM 180 CD1 LEU A 12 1.405 -6.762 -3.320 1.00 1.04 C ATOM 181 CD2 LEU A 12 -0.295 -6.120 -1.607 1.00 1.04 C ATOM 0 H LEU A 12 1.723 -7.975 0.735 1.00 0.38 H new ATOM 0 HA LEU A 12 -0.960 -8.214 -0.311 1.00 0.41 H new ATOM 0 HB2 LEU A 12 1.707 -8.914 -1.532 1.00 0.40 H new ATOM 0 HB3 LEU A 12 0.165 -8.862 -2.364 1.00 0.40 H new ATOM 0 HG LEU A 12 1.753 -6.558 -1.224 1.00 0.46 H new ATOM 0 HD11 LEU A 12 1.559 -5.704 -3.532 1.00 1.04 H new ATOM 0 HD12 LEU A 12 2.337 -7.304 -3.481 1.00 1.04 H new ATOM 0 HD13 LEU A 12 0.636 -7.157 -3.984 1.00 1.04 H new ATOM 0 HD21 LEU A 12 -0.110 -5.072 -1.844 1.00 1.04 H new ATOM 0 HD22 LEU A 12 -1.109 -6.494 -2.228 1.00 1.04 H new ATOM 0 HD23 LEU A 12 -0.569 -6.211 -0.556 1.00 1.04 H new ATOM 193 N GLN A 13 -1.235 -10.752 -0.448 1.00 0.65 N ATOM 194 CA GLN A 13 -1.531 -12.152 -0.154 1.00 0.62 C ATOM 195 C GLN A 13 -0.535 -13.098 -0.822 1.00 0.62 C ATOM 196 O GLN A 13 -0.567 -14.311 -0.611 1.00 0.74 O ATOM 197 CB GLN A 13 -2.946 -12.484 -0.581 1.00 0.69 C ATOM 198 CG GLN A 13 -3.686 -13.258 0.478 1.00 0.89 C ATOM 199 CD GLN A 13 -5.119 -13.553 0.091 1.00 1.08 C ATOM 200 OE1 GLN A 13 -5.410 -14.581 -0.519 1.00 1.68 O ATOM 201 NE2 GLN A 13 -6.024 -12.648 0.427 1.00 1.61 N ATOM 0 H GLN A 13 -1.940 -10.278 -1.013 1.00 0.65 H new ATOM 0 HA GLN A 13 -1.438 -12.292 0.923 1.00 0.62 H new ATOM 0 HB2 GLN A 13 -3.485 -11.562 -0.800 1.00 0.69 H new ATOM 0 HB3 GLN A 13 -2.920 -13.064 -1.503 1.00 0.69 H new ATOM 0 HG2 GLN A 13 -3.165 -14.196 0.668 1.00 0.89 H new ATOM 0 HG3 GLN A 13 -3.675 -12.693 1.410 1.00 0.89 H new ATOM 0 HE21 GLN A 13 -5.742 -11.808 0.933 1.00 1.61 H new ATOM 0 HE22 GLN A 13 -7.003 -12.790 0.180 1.00 1.61 H new ATOM 210 N ASP A 14 0.352 -12.524 -1.609 1.00 0.55 N ATOM 211 CA ASP A 14 1.387 -13.276 -2.308 1.00 0.64 C ATOM 212 C ASP A 14 2.706 -13.201 -1.542 1.00 0.54 C ATOM 213 O ASP A 14 3.607 -14.015 -1.741 1.00 0.70 O ATOM 214 CB ASP A 14 1.555 -12.728 -3.727 1.00 0.80 C ATOM 215 CG ASP A 14 2.562 -13.510 -4.547 1.00 1.46 C ATOM 216 OD1 ASP A 14 2.263 -14.659 -4.924 1.00 2.11 O ATOM 217 OD2 ASP A 14 3.660 -12.977 -4.819 1.00 1.98 O ATOM 0 H ASP A 14 0.380 -11.520 -1.786 1.00 0.55 H new ATOM 0 HA ASP A 14 1.088 -14.322 -2.369 1.00 0.64 H new ATOM 0 HB2 ASP A 14 0.590 -12.745 -4.234 1.00 0.80 H new ATOM 0 HB3 ASP A 14 1.869 -11.686 -3.673 1.00 0.80 H new ATOM 222 N GLY A 15 2.797 -12.223 -0.645 1.00 0.55 N ATOM 223 CA GLY A 15 3.980 -12.070 0.182 1.00 0.73 C ATOM 224 C GLY A 15 4.585 -10.684 0.107 1.00 0.75 C ATOM 225 O GLY A 15 5.228 -10.233 1.057 1.00 1.28 O ATOM 0 H GLY A 15 2.068 -11.530 -0.476 1.00 0.55 H new ATOM 0 HA2 GLY A 15 3.722 -12.291 1.218 1.00 0.73 H new ATOM 0 HA3 GLY A 15 4.727 -12.802 -0.124 1.00 0.73 H new ATOM 229 N SER A 16 4.399 -10.020 -1.023 1.00 0.37 N ATOM 230 CA SER A 16 4.985 -8.707 -1.242 1.00 0.35 C ATOM 231 C SER A 16 4.382 -7.678 -0.286 1.00 0.29 C ATOM 232 O SER A 16 3.273 -7.854 0.207 1.00 0.33 O ATOM 233 CB SER A 16 4.789 -8.287 -2.695 1.00 0.44 C ATOM 234 OG SER A 16 5.192 -9.328 -3.573 1.00 1.07 O ATOM 0 H SER A 16 3.845 -10.370 -1.805 1.00 0.37 H new ATOM 0 HA SER A 16 6.054 -8.760 -1.038 1.00 0.35 H new ATOM 0 HB2 SER A 16 3.742 -8.041 -2.870 1.00 0.44 H new ATOM 0 HB3 SER A 16 5.367 -7.386 -2.900 1.00 0.44 H new ATOM 0 HG SER A 16 5.058 -9.043 -4.501 1.00 1.07 H new ATOM 240 N LYS A 17 5.119 -6.617 -0.022 1.00 0.26 N ATOM 241 CA LYS A 17 4.733 -5.650 0.987 1.00 0.28 C ATOM 242 C LYS A 17 4.650 -4.248 0.398 1.00 0.30 C ATOM 243 O LYS A 17 5.574 -3.787 -0.264 1.00 0.43 O ATOM 244 CB LYS A 17 5.750 -5.673 2.129 1.00 0.31 C ATOM 245 CG LYS A 17 6.069 -7.076 2.611 1.00 0.71 C ATOM 246 CD LYS A 17 6.949 -7.065 3.844 1.00 0.66 C ATOM 247 CE LYS A 17 7.268 -8.481 4.289 1.00 0.84 C ATOM 248 NZ LYS A 17 6.032 -9.265 4.557 1.00 1.84 N ATOM 0 H LYS A 17 5.996 -6.402 -0.497 1.00 0.26 H new ATOM 0 HA LYS A 17 3.747 -5.918 1.365 1.00 0.28 H new ATOM 0 HB2 LYS A 17 6.670 -5.190 1.799 1.00 0.31 H new ATOM 0 HB3 LYS A 17 5.364 -5.087 2.963 1.00 0.31 H new ATOM 0 HG2 LYS A 17 5.141 -7.603 2.832 1.00 0.71 H new ATOM 0 HG3 LYS A 17 6.567 -7.629 1.815 1.00 0.71 H new ATOM 0 HD2 LYS A 17 7.874 -6.528 3.632 1.00 0.66 H new ATOM 0 HD3 LYS A 17 6.447 -6.530 4.650 1.00 0.66 H new ATOM 0 HE2 LYS A 17 7.856 -8.981 3.519 1.00 0.84 H new ATOM 0 HE3 LYS A 17 7.882 -8.450 5.189 1.00 0.84 H new ATOM 0 HZ1 LYS A 17 6.083 -9.679 5.510 1.00 1.84 H new ATOM 0 HZ2 LYS A 17 5.204 -8.639 4.496 1.00 1.84 H new ATOM 0 HZ3 LYS A 17 5.944 -10.025 3.853 1.00 1.84 H new ATOM 262 N VAL A 18 3.543 -3.578 0.648 1.00 0.28 N ATOM 263 CA VAL A 18 3.342 -2.218 0.190 1.00 0.30 C ATOM 264 C VAL A 18 3.370 -1.289 1.385 1.00 0.31 C ATOM 265 O VAL A 18 2.945 -1.661 2.469 1.00 0.41 O ATOM 266 CB VAL A 18 1.988 -2.083 -0.534 1.00 0.35 C ATOM 267 CG1 VAL A 18 1.715 -0.638 -0.933 1.00 0.39 C ATOM 268 CG2 VAL A 18 1.949 -2.989 -1.755 1.00 0.36 C ATOM 0 H VAL A 18 2.758 -3.961 1.174 1.00 0.28 H new ATOM 0 HA VAL A 18 4.136 -1.957 -0.510 1.00 0.30 H new ATOM 0 HB VAL A 18 1.204 -2.391 0.158 1.00 0.35 H new ATOM 0 HG11 VAL A 18 0.753 -0.577 -1.441 1.00 0.39 H new ATOM 0 HG12 VAL A 18 1.695 -0.012 -0.041 1.00 0.39 H new ATOM 0 HG13 VAL A 18 2.502 -0.291 -1.602 1.00 0.39 H new ATOM 0 HG21 VAL A 18 0.987 -2.883 -2.256 1.00 0.36 H new ATOM 0 HG22 VAL A 18 2.748 -2.709 -2.441 1.00 0.36 H new ATOM 0 HG23 VAL A 18 2.084 -4.025 -1.444 1.00 0.36 H new ATOM 278 N HIS A 19 3.915 -0.106 1.218 1.00 0.29 N ATOM 279 CA HIS A 19 3.940 0.846 2.310 1.00 0.29 C ATOM 280 C HIS A 19 3.435 2.188 1.851 1.00 0.30 C ATOM 281 O HIS A 19 3.887 2.709 0.835 1.00 0.34 O ATOM 282 CB HIS A 19 5.352 1.037 2.867 1.00 0.32 C ATOM 283 CG HIS A 19 6.160 -0.212 2.993 1.00 0.32 C ATOM 284 ND1 HIS A 19 5.653 -1.427 3.391 1.00 0.67 N ATOM 285 CD2 HIS A 19 7.460 -0.414 2.742 1.00 0.37 C ATOM 286 CE1 HIS A 19 6.616 -2.329 3.373 1.00 0.66 C ATOM 287 NE2 HIS A 19 7.723 -1.741 2.982 1.00 0.41 N ATOM 0 H HIS A 19 4.342 0.219 0.351 1.00 0.29 H new ATOM 0 HA HIS A 19 3.298 0.441 3.092 1.00 0.29 H new ATOM 0 HB2 HIS A 19 5.888 1.734 2.223 1.00 0.32 H new ATOM 0 HB3 HIS A 19 5.278 1.503 3.849 1.00 0.32 H new ATOM 0 HD2 HIS A 19 8.171 0.329 2.412 1.00 0.37 H new ATOM 0 HE1 HIS A 19 6.512 -3.372 3.635 1.00 0.66 H new ATOM 0 HE2 HIS A 19 8.630 -2.195 2.874 1.00 0.41 H new ATOM 296 N VAL A 20 2.505 2.745 2.599 1.00 0.31 N ATOM 297 CA VAL A 20 2.123 4.121 2.390 1.00 0.33 C ATOM 298 C VAL A 20 2.909 4.942 3.387 1.00 0.32 C ATOM 299 O VAL A 20 2.754 4.784 4.598 1.00 0.33 O ATOM 300 CB VAL A 20 0.613 4.372 2.564 1.00 0.40 C ATOM 301 CG1 VAL A 20 0.263 5.808 2.176 1.00 0.56 C ATOM 302 CG2 VAL A 20 -0.189 3.378 1.736 1.00 0.81 C ATOM 0 H VAL A 20 2.005 2.269 3.350 1.00 0.31 H new ATOM 0 HA VAL A 20 2.343 4.399 1.359 1.00 0.33 H new ATOM 0 HB VAL A 20 0.355 4.229 3.613 1.00 0.40 H new ATOM 0 HG11 VAL A 20 -0.807 5.969 2.305 1.00 0.56 H new ATOM 0 HG12 VAL A 20 0.813 6.501 2.812 1.00 0.56 H new ATOM 0 HG13 VAL A 20 0.533 5.979 1.134 1.00 0.56 H new ATOM 0 HG21 VAL A 20 -1.254 3.569 1.870 1.00 0.81 H new ATOM 0 HG22 VAL A 20 0.070 3.489 0.683 1.00 0.81 H new ATOM 0 HG23 VAL A 20 0.042 2.364 2.061 1.00 0.81 H new ATOM 312 N PHE A 21 3.781 5.774 2.884 1.00 0.34 N ATOM 313 CA PHE A 21 4.702 6.488 3.731 1.00 0.37 C ATOM 314 C PHE A 21 4.059 7.757 4.258 1.00 0.39 C ATOM 315 O PHE A 21 3.165 8.317 3.628 1.00 0.40 O ATOM 316 CB PHE A 21 5.995 6.786 2.971 1.00 0.40 C ATOM 317 CG PHE A 21 6.803 5.548 2.666 1.00 0.41 C ATOM 318 CD1 PHE A 21 7.762 5.101 3.564 1.00 0.58 C ATOM 319 CD2 PHE A 21 6.617 4.834 1.486 1.00 0.37 C ATOM 320 CE1 PHE A 21 8.513 3.973 3.295 1.00 0.64 C ATOM 321 CE2 PHE A 21 7.371 3.707 1.220 1.00 0.39 C ATOM 322 CZ PHE A 21 8.317 3.277 2.124 1.00 0.51 C ATOM 0 H PHE A 21 3.874 5.975 1.888 1.00 0.34 H new ATOM 0 HA PHE A 21 4.955 5.865 4.589 1.00 0.37 H new ATOM 0 HB2 PHE A 21 5.752 7.293 2.037 1.00 0.40 H new ATOM 0 HB3 PHE A 21 6.604 7.474 3.558 1.00 0.40 H new ATOM 0 HD1 PHE A 21 7.923 5.642 4.485 1.00 0.58 H new ATOM 0 HD2 PHE A 21 5.877 5.164 0.772 1.00 0.37 H new ATOM 0 HE1 PHE A 21 9.255 3.637 4.004 1.00 0.64 H new ATOM 0 HE2 PHE A 21 7.218 3.162 0.300 1.00 0.39 H new ATOM 0 HZ PHE A 21 8.904 2.395 1.914 1.00 0.51 H new ATOM 332 N LYS A 22 4.511 8.194 5.421 1.00 0.44 N ATOM 333 CA LYS A 22 3.930 9.337 6.115 1.00 0.50 C ATOM 334 C LYS A 22 4.060 10.618 5.293 1.00 0.52 C ATOM 335 O LYS A 22 3.397 11.616 5.566 1.00 0.57 O ATOM 336 CB LYS A 22 4.625 9.525 7.464 1.00 0.61 C ATOM 337 CG LYS A 22 4.470 8.346 8.403 1.00 1.37 C ATOM 338 CD LYS A 22 5.157 8.595 9.732 1.00 1.46 C ATOM 339 CE LYS A 22 5.204 7.329 10.566 1.00 2.02 C ATOM 340 NZ LYS A 22 5.652 7.589 11.959 1.00 2.87 N ATOM 0 H LYS A 22 5.294 7.766 5.915 1.00 0.44 H new ATOM 0 HA LYS A 22 2.869 9.136 6.264 1.00 0.50 H new ATOM 0 HB2 LYS A 22 5.687 9.704 7.293 1.00 0.61 H new ATOM 0 HB3 LYS A 22 4.225 10.417 7.947 1.00 0.61 H new ATOM 0 HG2 LYS A 22 3.411 8.151 8.571 1.00 1.37 H new ATOM 0 HG3 LYS A 22 4.888 7.453 7.938 1.00 1.37 H new ATOM 0 HD2 LYS A 22 6.170 8.959 9.559 1.00 1.46 H new ATOM 0 HD3 LYS A 22 4.627 9.375 10.279 1.00 1.46 H new ATOM 0 HE2 LYS A 22 4.215 6.871 10.584 1.00 2.02 H new ATOM 0 HE3 LYS A 22 5.878 6.612 10.097 1.00 2.02 H new ATOM 0 HZ1 LYS A 22 6.633 7.263 12.075 1.00 2.87 H new ATOM 0 HZ2 LYS A 22 5.601 8.609 12.155 1.00 2.87 H new ATOM 0 HZ3 LYS A 22 5.036 7.077 12.623 1.00 2.87 H new ATOM 354 N ASP A 23 4.918 10.574 4.285 1.00 0.54 N ATOM 355 CA ASP A 23 5.193 11.730 3.461 1.00 0.61 C ATOM 356 C ASP A 23 4.244 11.728 2.286 1.00 0.59 C ATOM 357 O ASP A 23 4.165 12.689 1.522 1.00 0.67 O ATOM 358 CB ASP A 23 6.647 11.709 2.981 1.00 0.68 C ATOM 359 CG ASP A 23 7.065 13.008 2.327 1.00 1.29 C ATOM 360 OD1 ASP A 23 7.420 13.960 3.054 1.00 1.91 O ATOM 361 OD2 ASP A 23 7.032 13.088 1.084 1.00 1.97 O ATOM 0 H ASP A 23 5.439 9.738 4.020 1.00 0.54 H new ATOM 0 HA ASP A 23 5.047 12.640 4.043 1.00 0.61 H new ATOM 0 HB2 ASP A 23 7.302 11.506 3.828 1.00 0.68 H new ATOM 0 HB3 ASP A 23 6.780 10.891 2.273 1.00 0.68 H new ATOM 366 N GLY A 24 3.490 10.646 2.167 1.00 0.53 N ATOM 367 CA GLY A 24 2.488 10.570 1.146 1.00 0.53 C ATOM 368 C GLY A 24 2.851 9.703 -0.045 1.00 0.53 C ATOM 369 O GLY A 24 1.996 9.455 -0.895 1.00 0.58 O ATOM 0 H GLY A 24 3.561 9.822 2.764 1.00 0.53 H new ATOM 0 HA2 GLY A 24 1.568 10.187 1.588 1.00 0.53 H new ATOM 0 HA3 GLY A 24 2.275 11.578 0.791 1.00 0.53 H new ATOM 373 N LYS A 25 4.099 9.253 -0.151 1.00 0.50 N ATOM 374 CA LYS A 25 4.466 8.341 -1.224 1.00 0.51 C ATOM 375 C LYS A 25 4.339 6.897 -0.767 1.00 0.42 C ATOM 376 O LYS A 25 4.020 6.630 0.387 1.00 0.41 O ATOM 377 CB LYS A 25 5.887 8.612 -1.715 1.00 0.62 C ATOM 378 CG LYS A 25 6.036 9.939 -2.436 1.00 0.94 C ATOM 379 CD LYS A 25 6.643 11.012 -1.551 1.00 1.49 C ATOM 380 CE LYS A 25 8.063 10.656 -1.144 1.00 1.50 C ATOM 381 NZ LYS A 25 8.739 11.785 -0.458 1.00 1.74 N ATOM 0 H LYS A 25 4.859 9.501 0.482 1.00 0.50 H new ATOM 0 HA LYS A 25 3.778 8.510 -2.053 1.00 0.51 H new ATOM 0 HB2 LYS A 25 6.567 8.592 -0.863 1.00 0.62 H new ATOM 0 HB3 LYS A 25 6.191 7.808 -2.385 1.00 0.62 H new ATOM 0 HG2 LYS A 25 6.662 9.802 -3.318 1.00 0.94 H new ATOM 0 HG3 LYS A 25 5.059 10.271 -2.787 1.00 0.94 H new ATOM 0 HD2 LYS A 25 6.642 11.965 -2.080 1.00 1.49 H new ATOM 0 HD3 LYS A 25 6.029 11.141 -0.660 1.00 1.49 H new ATOM 0 HE2 LYS A 25 8.045 9.788 -0.485 1.00 1.50 H new ATOM 0 HE3 LYS A 25 8.634 10.373 -2.028 1.00 1.50 H new ATOM 0 HZ1 LYS A 25 9.193 11.441 0.412 1.00 1.74 H new ATOM 0 HZ2 LYS A 25 9.460 12.192 -1.087 1.00 1.74 H new ATOM 0 HZ3 LYS A 25 8.038 12.515 -0.217 1.00 1.74 H new ATOM 395 N MET A 26 4.600 5.973 -1.676 1.00 0.42 N ATOM 396 CA MET A 26 4.406 4.559 -1.417 1.00 0.41 C ATOM 397 C MET A 26 5.565 3.754 -1.972 1.00 0.42 C ATOM 398 O MET A 26 6.141 4.101 -3.006 1.00 0.49 O ATOM 399 CB MET A 26 3.102 4.050 -2.045 1.00 0.47 C ATOM 400 CG MET A 26 1.831 4.620 -1.432 1.00 0.73 C ATOM 401 SD MET A 26 1.498 6.323 -1.923 1.00 1.07 S ATOM 402 CE MET A 26 1.663 6.201 -3.699 1.00 0.76 C ATOM 0 H MET A 26 4.951 6.182 -2.611 1.00 0.42 H new ATOM 0 HA MET A 26 4.351 4.432 -0.336 1.00 0.41 H new ATOM 0 HB2 MET A 26 3.112 4.285 -3.109 1.00 0.47 H new ATOM 0 HB3 MET A 26 3.074 2.964 -1.959 1.00 0.47 H new ATOM 0 HG2 MET A 26 0.986 3.995 -1.720 1.00 0.73 H new ATOM 0 HG3 MET A 26 1.907 4.572 -0.346 1.00 0.73 H new ATOM 0 HE1 MET A 26 1.282 7.111 -4.163 1.00 0.76 H new ATOM 0 HE2 MET A 26 2.714 6.074 -3.959 1.00 0.76 H new ATOM 0 HE3 MET A 26 1.094 5.344 -4.059 1.00 0.76 H new ATOM 412 N GLY A 27 5.897 2.681 -1.283 1.00 0.39 N ATOM 413 CA GLY A 27 6.979 1.825 -1.712 1.00 0.39 C ATOM 414 C GLY A 27 6.593 0.372 -1.611 1.00 0.32 C ATOM 415 O GLY A 27 5.846 -0.010 -0.710 1.00 0.33 O ATOM 0 H GLY A 27 5.433 2.383 -0.425 1.00 0.39 H new ATOM 0 HA2 GLY A 27 7.249 2.062 -2.741 1.00 0.39 H new ATOM 0 HA3 GLY A 27 7.861 2.014 -1.100 1.00 0.39 H new ATOM 419 N MET A 28 7.093 -0.437 -2.524 1.00 0.28 N ATOM 420 CA MET A 28 6.737 -1.843 -2.564 1.00 0.27 C ATOM 421 C MET A 28 7.970 -2.722 -2.409 1.00 0.26 C ATOM 422 O MET A 28 9.043 -2.399 -2.903 1.00 0.31 O ATOM 423 CB MET A 28 6.018 -2.160 -3.881 1.00 0.34 C ATOM 424 CG MET A 28 5.658 -3.628 -4.056 1.00 0.45 C ATOM 425 SD MET A 28 4.760 -3.949 -5.586 1.00 0.87 S ATOM 426 CE MET A 28 4.654 -5.735 -5.546 1.00 0.72 C ATOM 0 H MET A 28 7.748 -0.145 -3.249 1.00 0.28 H new ATOM 0 HA MET A 28 6.067 -2.054 -1.731 1.00 0.27 H new ATOM 0 HB2 MET A 28 5.107 -1.565 -3.937 1.00 0.34 H new ATOM 0 HB3 MET A 28 6.652 -1.851 -4.712 1.00 0.34 H new ATOM 0 HG2 MET A 28 6.570 -4.225 -4.043 1.00 0.45 H new ATOM 0 HG3 MET A 28 5.053 -3.952 -3.210 1.00 0.45 H new ATOM 0 HE1 MET A 28 4.123 -6.088 -6.430 1.00 0.72 H new ATOM 0 HE2 MET A 28 5.658 -6.159 -5.532 1.00 0.72 H new ATOM 0 HE3 MET A 28 4.116 -6.048 -4.651 1.00 0.72 H new ATOM 436 N GLU A 29 7.800 -3.816 -1.695 1.00 0.24 N ATOM 437 CA GLU A 29 8.827 -4.833 -1.553 1.00 0.26 C ATOM 438 C GLU A 29 8.223 -6.164 -1.934 1.00 0.27 C ATOM 439 O GLU A 29 7.021 -6.351 -1.786 1.00 0.29 O ATOM 440 CB GLU A 29 9.354 -4.885 -0.117 1.00 0.34 C ATOM 441 CG GLU A 29 10.329 -3.770 0.200 1.00 0.47 C ATOM 442 CD GLU A 29 10.635 -3.653 1.674 1.00 0.56 C ATOM 443 OE1 GLU A 29 9.727 -3.277 2.443 1.00 0.68 O ATOM 444 OE2 GLU A 29 11.788 -3.922 2.067 1.00 1.14 O ATOM 0 H GLU A 29 6.938 -4.028 -1.192 1.00 0.24 H new ATOM 0 HA GLU A 29 9.669 -4.596 -2.203 1.00 0.26 H new ATOM 0 HB2 GLU A 29 8.513 -4.831 0.574 1.00 0.34 H new ATOM 0 HB3 GLU A 29 9.843 -5.845 0.050 1.00 0.34 H new ATOM 0 HG2 GLU A 29 11.257 -3.941 -0.345 1.00 0.47 H new ATOM 0 HG3 GLU A 29 9.919 -2.825 -0.156 1.00 0.47 H new ATOM 451 N ASN A 30 9.019 -7.073 -2.443 1.00 0.32 N ATOM 452 CA ASN A 30 8.502 -8.382 -2.803 1.00 0.39 C ATOM 453 C ASN A 30 8.532 -9.309 -1.593 1.00 0.42 C ATOM 454 O ASN A 30 9.120 -8.977 -0.562 1.00 0.42 O ATOM 455 CB ASN A 30 9.288 -8.985 -3.975 1.00 0.47 C ATOM 456 CG ASN A 30 10.678 -9.453 -3.590 1.00 0.79 C ATOM 457 OD1 ASN A 30 11.278 -8.956 -2.644 1.00 1.41 O ATOM 458 ND2 ASN A 30 11.203 -10.408 -4.337 1.00 1.12 N ATOM 0 H ASN A 30 10.015 -6.939 -2.618 1.00 0.32 H new ATOM 0 HA ASN A 30 7.468 -8.266 -3.127 1.00 0.39 H new ATOM 0 HB2 ASN A 30 8.729 -9.827 -4.383 1.00 0.47 H new ATOM 0 HB3 ASN A 30 9.369 -8.242 -4.769 1.00 0.47 H new ATOM 0 HD21 ASN A 30 12.140 -10.757 -4.135 1.00 1.12 H new ATOM 0 HD22 ASN A 30 10.671 -10.796 -5.116 1.00 1.12 H new ATOM 465 N LYS A 31 7.845 -10.441 -1.714 1.00 0.48 N ATOM 466 CA LYS A 31 7.841 -11.515 -0.705 1.00 0.54 C ATOM 467 C LYS A 31 9.238 -11.971 -0.242 1.00 0.58 C ATOM 468 O LYS A 31 9.349 -12.889 0.572 1.00 0.69 O ATOM 469 CB LYS A 31 7.077 -12.708 -1.275 1.00 0.62 C ATOM 470 CG LYS A 31 7.502 -13.080 -2.684 1.00 0.66 C ATOM 471 CD LYS A 31 6.464 -13.959 -3.350 1.00 0.78 C ATOM 472 CE LYS A 31 6.723 -14.093 -4.839 1.00 1.32 C ATOM 473 NZ LYS A 31 5.562 -14.696 -5.537 1.00 1.77 N ATOM 0 H LYS A 31 7.264 -10.649 -2.526 1.00 0.48 H new ATOM 0 HA LYS A 31 7.361 -11.106 0.184 1.00 0.54 H new ATOM 0 HB2 LYS A 31 7.221 -13.568 -0.621 1.00 0.62 H new ATOM 0 HB3 LYS A 31 6.011 -12.481 -1.273 1.00 0.62 H new ATOM 0 HG2 LYS A 31 7.650 -12.175 -3.274 1.00 0.66 H new ATOM 0 HG3 LYS A 31 8.459 -13.601 -2.653 1.00 0.66 H new ATOM 0 HD2 LYS A 31 6.471 -14.946 -2.888 1.00 0.78 H new ATOM 0 HD3 LYS A 31 5.471 -13.538 -3.188 1.00 0.78 H new ATOM 0 HE2 LYS A 31 6.935 -13.111 -5.263 1.00 1.32 H new ATOM 0 HE3 LYS A 31 7.608 -14.708 -5.002 1.00 1.32 H new ATOM 0 HZ1 LYS A 31 5.851 -15.008 -6.486 1.00 1.77 H new ATOM 0 HZ2 LYS A 31 5.217 -15.513 -4.994 1.00 1.77 H new ATOM 0 HZ3 LYS A 31 4.803 -13.990 -5.621 1.00 1.77 H new ATOM 487 N PHE A 32 10.293 -11.336 -0.735 1.00 0.58 N ATOM 488 CA PHE A 32 11.648 -11.692 -0.350 1.00 0.63 C ATOM 489 C PHE A 32 12.345 -10.514 0.318 1.00 0.56 C ATOM 490 O PHE A 32 13.515 -10.607 0.683 1.00 0.62 O ATOM 491 CB PHE A 32 12.449 -12.166 -1.562 1.00 0.69 C ATOM 492 CG PHE A 32 11.905 -13.419 -2.191 1.00 0.80 C ATOM 493 CD1 PHE A 32 12.195 -14.658 -1.653 1.00 0.95 C ATOM 494 CD2 PHE A 32 11.108 -13.353 -3.322 1.00 0.83 C ATOM 495 CE1 PHE A 32 11.702 -15.812 -2.228 1.00 1.08 C ATOM 496 CE2 PHE A 32 10.610 -14.502 -3.903 1.00 0.96 C ATOM 497 CZ PHE A 32 10.888 -15.727 -3.350 1.00 1.07 C ATOM 0 H PHE A 32 10.234 -10.569 -1.405 1.00 0.58 H new ATOM 0 HA PHE A 32 11.591 -12.511 0.367 1.00 0.63 H new ATOM 0 HB2 PHE A 32 12.466 -11.372 -2.309 1.00 0.69 H new ATOM 0 HB3 PHE A 32 13.481 -12.340 -1.259 1.00 0.69 H new ATOM 0 HD1 PHE A 32 12.815 -14.725 -0.771 1.00 0.95 H new ATOM 0 HD2 PHE A 32 10.873 -12.391 -3.754 1.00 0.83 H new ATOM 0 HE1 PHE A 32 11.948 -16.776 -1.808 1.00 1.08 H new ATOM 0 HE2 PHE A 32 10.002 -14.437 -4.793 1.00 0.96 H new ATOM 0 HZ PHE A 32 10.474 -16.624 -3.787 1.00 1.07 H new ATOM 507 N GLY A 33 11.628 -9.404 0.480 1.00 0.49 N ATOM 508 CA GLY A 33 12.182 -8.271 1.188 1.00 0.49 C ATOM 509 C GLY A 33 13.006 -7.367 0.302 1.00 0.45 C ATOM 510 O GLY A 33 13.833 -6.596 0.787 1.00 0.54 O ATOM 0 H GLY A 33 10.678 -9.273 0.134 1.00 0.49 H new ATOM 0 HA2 GLY A 33 11.370 -7.694 1.631 1.00 0.49 H new ATOM 0 HA3 GLY A 33 12.803 -8.631 2.009 1.00 0.49 H new ATOM 514 N LYS A 34 12.791 -7.466 -0.998 1.00 0.42 N ATOM 515 CA LYS A 34 13.515 -6.637 -1.941 1.00 0.52 C ATOM 516 C LYS A 34 12.674 -5.473 -2.388 1.00 0.38 C ATOM 517 O LYS A 34 11.510 -5.618 -2.766 1.00 0.72 O ATOM 518 CB LYS A 34 13.981 -7.447 -3.142 1.00 0.85 C ATOM 519 CG LYS A 34 15.012 -8.489 -2.774 1.00 1.17 C ATOM 520 CD LYS A 34 16.386 -7.876 -2.538 1.00 1.92 C ATOM 521 CE LYS A 34 16.955 -7.248 -3.802 1.00 2.73 C ATOM 522 NZ LYS A 34 17.290 -8.266 -4.833 1.00 3.25 N ATOM 0 H LYS A 34 12.123 -8.110 -1.422 1.00 0.42 H new ATOM 0 HA LYS A 34 14.397 -6.250 -1.430 1.00 0.52 H new ATOM 0 HB2 LYS A 34 13.122 -7.937 -3.601 1.00 0.85 H new ATOM 0 HB3 LYS A 34 14.401 -6.774 -3.889 1.00 0.85 H new ATOM 0 HG2 LYS A 34 14.691 -9.015 -1.875 1.00 1.17 H new ATOM 0 HG3 LYS A 34 15.078 -9.230 -3.570 1.00 1.17 H new ATOM 0 HD2 LYS A 34 16.316 -7.119 -1.757 1.00 1.92 H new ATOM 0 HD3 LYS A 34 17.069 -8.645 -2.176 1.00 1.92 H new ATOM 0 HE2 LYS A 34 16.233 -6.542 -4.212 1.00 2.73 H new ATOM 0 HE3 LYS A 34 17.850 -6.679 -3.552 1.00 2.73 H new ATOM 0 HZ1 LYS A 34 17.797 -7.811 -5.619 1.00 3.25 H new ATOM 0 HZ2 LYS A 34 17.893 -9.001 -4.412 1.00 3.25 H new ATOM 0 HZ3 LYS A 34 16.415 -8.699 -5.191 1.00 3.25 H new ATOM 536 N SER A 35 13.301 -4.327 -2.353 1.00 0.46 N ATOM 537 CA SER A 35 12.637 -3.067 -2.606 1.00 0.48 C ATOM 538 C SER A 35 12.435 -2.819 -4.097 1.00 0.58 C ATOM 539 O SER A 35 13.347 -3.013 -4.903 1.00 0.74 O ATOM 540 CB SER A 35 13.447 -1.946 -1.972 1.00 0.69 C ATOM 541 OG SER A 35 14.838 -2.136 -2.193 1.00 1.55 O ATOM 0 H SER A 35 14.296 -4.237 -2.147 1.00 0.46 H new ATOM 0 HA SER A 35 11.643 -3.100 -2.159 1.00 0.48 H new ATOM 0 HB2 SER A 35 13.136 -0.988 -2.388 1.00 0.69 H new ATOM 0 HB3 SER A 35 13.247 -1.908 -0.901 1.00 0.69 H new ATOM 0 HG SER A 35 15.338 -1.403 -1.778 1.00 1.55 H new ATOM 547 N MET A 36 11.233 -2.401 -4.449 1.00 0.58 N ATOM 548 CA MET A 36 10.875 -2.112 -5.827 1.00 0.76 C ATOM 549 C MET A 36 9.859 -0.977 -5.870 1.00 0.87 C ATOM 550 O MET A 36 9.573 -0.352 -4.846 1.00 0.94 O ATOM 551 CB MET A 36 10.305 -3.371 -6.493 1.00 0.81 C ATOM 552 CG MET A 36 9.191 -4.034 -5.694 1.00 1.07 C ATOM 553 SD MET A 36 8.590 -5.553 -6.463 1.00 1.38 S ATOM 554 CE MET A 36 7.726 -4.889 -7.886 1.00 1.15 C ATOM 0 H MET A 36 10.474 -2.252 -3.785 1.00 0.58 H new ATOM 0 HA MET A 36 11.766 -1.803 -6.374 1.00 0.76 H new ATOM 0 HB2 MET A 36 9.926 -3.109 -7.481 1.00 0.81 H new ATOM 0 HB3 MET A 36 11.111 -4.090 -6.642 1.00 0.81 H new ATOM 0 HG2 MET A 36 9.553 -4.258 -4.691 1.00 1.07 H new ATOM 0 HG3 MET A 36 8.362 -3.335 -5.585 1.00 1.07 H new ATOM 0 HE1 MET A 36 7.109 -5.668 -8.333 1.00 1.15 H new ATOM 0 HE2 MET A 36 7.092 -4.059 -7.572 1.00 1.15 H new ATOM 0 HE3 MET A 36 8.451 -4.535 -8.619 1.00 1.15 H new ATOM 564 N ASN A 37 9.331 -0.700 -7.050 1.00 1.03 N ATOM 565 CA ASN A 37 8.290 0.309 -7.198 1.00 1.17 C ATOM 566 C ASN A 37 6.937 -0.360 -7.402 1.00 0.99 C ATOM 567 O ASN A 37 6.858 -1.476 -7.924 1.00 1.03 O ATOM 568 CB ASN A 37 8.593 1.262 -8.362 1.00 1.55 C ATOM 569 CG ASN A 37 8.719 0.554 -9.699 1.00 2.18 C ATOM 570 OD1 ASN A 37 7.733 0.358 -10.411 1.00 2.78 O ATOM 571 ND2 ASN A 37 9.936 0.184 -10.061 1.00 2.51 N ATOM 0 H ASN A 37 9.604 -1.158 -7.920 1.00 1.03 H new ATOM 0 HA ASN A 37 8.263 0.900 -6.283 1.00 1.17 H new ATOM 0 HB2 ASN A 37 7.801 2.009 -8.427 1.00 1.55 H new ATOM 0 HB3 ASN A 37 9.519 1.797 -8.153 1.00 1.55 H new ATOM 0 HD21 ASN A 37 10.082 -0.281 -10.957 1.00 2.51 H new ATOM 0 HD22 ASN A 37 10.728 0.364 -9.444 1.00 2.51 H new ATOM 578 N MET A 38 5.885 0.312 -6.970 1.00 1.01 N ATOM 579 CA MET A 38 4.541 -0.234 -7.061 1.00 0.99 C ATOM 580 C MET A 38 3.923 0.072 -8.423 1.00 0.86 C ATOM 581 O MET A 38 3.996 1.205 -8.905 1.00 0.81 O ATOM 582 CB MET A 38 3.670 0.336 -5.938 1.00 1.23 C ATOM 583 CG MET A 38 2.275 -0.265 -5.882 1.00 0.95 C ATOM 584 SD MET A 38 1.296 0.390 -4.519 1.00 1.15 S ATOM 585 CE MET A 38 -0.232 -0.521 -4.737 1.00 1.32 C ATOM 0 H MET A 38 5.935 1.241 -6.551 1.00 1.01 H new ATOM 0 HA MET A 38 4.597 -1.317 -6.951 1.00 0.99 H new ATOM 0 HB2 MET A 38 4.167 0.167 -4.983 1.00 1.23 H new ATOM 0 HB3 MET A 38 3.586 1.415 -6.067 1.00 1.23 H new ATOM 0 HG2 MET A 38 1.760 -0.068 -6.822 1.00 0.95 H new ATOM 0 HG3 MET A 38 2.353 -1.348 -5.782 1.00 0.95 H new ATOM 0 HE1 MET A 38 -1.070 0.088 -4.399 1.00 1.32 H new ATOM 0 HE2 MET A 38 -0.363 -0.765 -5.791 1.00 1.32 H new ATOM 0 HE3 MET A 38 -0.193 -1.441 -4.154 1.00 1.32 H new ATOM 595 N PRO A 39 3.329 -0.943 -9.069 1.00 0.92 N ATOM 596 CA PRO A 39 2.692 -0.781 -10.377 1.00 0.91 C ATOM 597 C PRO A 39 1.459 0.122 -10.329 1.00 0.76 C ATOM 598 O PRO A 39 0.490 -0.159 -9.618 1.00 0.83 O ATOM 599 CB PRO A 39 2.300 -2.207 -10.771 1.00 1.16 C ATOM 600 CG PRO A 39 2.238 -2.964 -9.489 1.00 1.24 C ATOM 601 CD PRO A 39 3.254 -2.331 -8.585 1.00 1.13 C ATOM 0 HA PRO A 39 3.361 -0.299 -11.089 1.00 0.91 H new ATOM 0 HB2 PRO A 39 1.339 -2.223 -11.285 1.00 1.16 H new ATOM 0 HB3 PRO A 39 3.032 -2.643 -11.451 1.00 1.16 H new ATOM 0 HG2 PRO A 39 1.241 -2.911 -9.052 1.00 1.24 H new ATOM 0 HG3 PRO A 39 2.461 -4.019 -9.648 1.00 1.24 H new ATOM 0 HD2 PRO A 39 2.945 -2.376 -7.541 1.00 1.13 H new ATOM 0 HD3 PRO A 39 4.219 -2.832 -8.653 1.00 1.13 H new ATOM 609 N GLU A 40 1.501 1.205 -11.091 1.00 0.77 N ATOM 610 CA GLU A 40 0.383 2.133 -11.157 1.00 0.69 C ATOM 611 C GLU A 40 -0.685 1.601 -12.105 1.00 0.73 C ATOM 612 O GLU A 40 -0.391 1.235 -13.245 1.00 1.09 O ATOM 613 CB GLU A 40 0.854 3.519 -11.611 1.00 0.76 C ATOM 614 CG GLU A 40 -0.267 4.546 -11.675 1.00 0.72 C ATOM 615 CD GLU A 40 0.196 5.896 -12.173 1.00 0.94 C ATOM 616 OE1 GLU A 40 0.265 6.087 -13.403 1.00 1.15 O ATOM 617 OE2 GLU A 40 0.483 6.780 -11.341 1.00 1.09 O ATOM 0 H GLU A 40 2.298 1.462 -11.673 1.00 0.77 H new ATOM 0 HA GLU A 40 -0.046 2.228 -10.159 1.00 0.69 H new ATOM 0 HB2 GLU A 40 1.625 3.875 -10.927 1.00 0.76 H new ATOM 0 HB3 GLU A 40 1.316 3.434 -12.595 1.00 0.76 H new ATOM 0 HG2 GLU A 40 -1.056 4.175 -12.329 1.00 0.72 H new ATOM 0 HG3 GLU A 40 -0.704 4.661 -10.683 1.00 0.72 H new ATOM 624 N GLY A 41 -1.918 1.549 -11.624 1.00 0.64 N ATOM 625 CA GLY A 41 -3.012 1.044 -12.431 1.00 0.66 C ATOM 626 C GLY A 41 -3.427 -0.358 -12.029 1.00 0.62 C ATOM 627 O GLY A 41 -4.450 -0.867 -12.492 1.00 0.68 O ATOM 0 H GLY A 41 -2.182 1.849 -10.685 1.00 0.64 H new ATOM 0 HA2 GLY A 41 -3.867 1.714 -12.339 1.00 0.66 H new ATOM 0 HA3 GLY A 41 -2.717 1.046 -13.480 1.00 0.66 H new ATOM 631 N LYS A 42 -2.632 -0.980 -11.170 1.00 0.59 N ATOM 632 CA LYS A 42 -2.915 -2.330 -10.698 1.00 0.59 C ATOM 633 C LYS A 42 -3.517 -2.328 -9.304 1.00 0.52 C ATOM 634 O LYS A 42 -2.922 -1.802 -8.362 1.00 0.54 O ATOM 635 CB LYS A 42 -1.635 -3.161 -10.675 1.00 0.67 C ATOM 636 CG LYS A 42 -1.210 -3.679 -12.038 1.00 0.85 C ATOM 637 CD LYS A 42 -2.169 -4.743 -12.543 1.00 1.45 C ATOM 638 CE LYS A 42 -1.725 -5.313 -13.880 1.00 1.85 C ATOM 639 NZ LYS A 42 -0.369 -5.919 -13.814 1.00 2.30 N ATOM 0 H LYS A 42 -1.782 -0.570 -10.784 1.00 0.59 H new ATOM 0 HA LYS A 42 -3.637 -2.764 -11.389 1.00 0.59 H new ATOM 0 HB2 LYS A 42 -0.829 -2.556 -10.260 1.00 0.67 H new ATOM 0 HB3 LYS A 42 -1.776 -4.008 -10.004 1.00 0.67 H new ATOM 0 HG2 LYS A 42 -1.172 -2.853 -12.748 1.00 0.85 H new ATOM 0 HG3 LYS A 42 -0.203 -4.093 -11.975 1.00 0.85 H new ATOM 0 HD2 LYS A 42 -2.239 -5.547 -11.810 1.00 1.45 H new ATOM 0 HD3 LYS A 42 -3.167 -4.315 -12.643 1.00 1.45 H new ATOM 0 HE2 LYS A 42 -2.442 -6.067 -14.207 1.00 1.85 H new ATOM 0 HE3 LYS A 42 -1.731 -4.522 -14.629 1.00 1.85 H new ATOM 0 HZ1 LYS A 42 -0.205 -6.496 -14.664 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 0.346 -5.165 -13.764 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 -0.298 -6.520 -12.968 1.00 2.30 H new ATOM 653 N VAL A 43 -4.696 -2.920 -9.174 1.00 0.48 N ATOM 654 CA VAL A 43 -5.280 -3.150 -7.868 1.00 0.45 C ATOM 655 C VAL A 43 -4.910 -4.559 -7.407 1.00 0.39 C ATOM 656 O VAL A 43 -5.076 -5.534 -8.146 1.00 0.46 O ATOM 657 CB VAL A 43 -6.822 -2.939 -7.852 1.00 0.54 C ATOM 658 CG1 VAL A 43 -7.533 -3.922 -8.770 1.00 0.69 C ATOM 659 CG2 VAL A 43 -7.368 -3.032 -6.428 1.00 0.93 C ATOM 0 H VAL A 43 -5.262 -3.247 -9.957 1.00 0.48 H new ATOM 0 HA VAL A 43 -4.874 -2.412 -7.176 1.00 0.45 H new ATOM 0 HB VAL A 43 -7.020 -1.936 -8.231 1.00 0.54 H new ATOM 0 HG11 VAL A 43 -8.608 -3.743 -8.732 1.00 0.69 H new ATOM 0 HG12 VAL A 43 -7.179 -3.787 -9.792 1.00 0.69 H new ATOM 0 HG13 VAL A 43 -7.323 -4.941 -8.445 1.00 0.69 H new ATOM 0 HG21 VAL A 43 -8.447 -2.881 -6.442 1.00 0.93 H new ATOM 0 HG22 VAL A 43 -7.144 -4.016 -6.016 1.00 0.93 H new ATOM 0 HG23 VAL A 43 -6.902 -2.265 -5.809 1.00 0.93 H new ATOM 669 N MET A 44 -4.375 -4.660 -6.206 1.00 0.35 N ATOM 670 CA MET A 44 -3.885 -5.933 -5.703 1.00 0.36 C ATOM 671 C MET A 44 -4.541 -6.273 -4.378 1.00 0.34 C ATOM 672 O MET A 44 -5.075 -5.393 -3.694 1.00 0.39 O ATOM 673 CB MET A 44 -2.363 -5.902 -5.547 1.00 0.46 C ATOM 674 CG MET A 44 -1.617 -5.821 -6.871 1.00 0.76 C ATOM 675 SD MET A 44 0.175 -5.733 -6.672 1.00 1.31 S ATOM 676 CE MET A 44 0.346 -4.166 -5.825 1.00 1.20 C ATOM 0 H MET A 44 -4.268 -3.878 -5.559 1.00 0.35 H new ATOM 0 HA MET A 44 -4.144 -6.706 -6.427 1.00 0.36 H new ATOM 0 HB2 MET A 44 -2.087 -5.047 -4.931 1.00 0.46 H new ATOM 0 HB3 MET A 44 -2.042 -6.796 -5.013 1.00 0.46 H new ATOM 0 HG2 MET A 44 -1.867 -6.693 -7.475 1.00 0.76 H new ATOM 0 HG3 MET A 44 -1.959 -4.944 -7.420 1.00 0.76 H new ATOM 0 HE1 MET A 44 1.365 -3.798 -5.942 1.00 1.20 H new ATOM 0 HE2 MET A 44 -0.351 -3.444 -6.251 1.00 1.20 H new ATOM 0 HE3 MET A 44 0.128 -4.299 -4.765 1.00 1.20 H new ATOM 686 N GLU A 45 -4.499 -7.549 -4.023 1.00 0.31 N ATOM 687 CA GLU A 45 -5.094 -8.012 -2.785 1.00 0.34 C ATOM 688 C GLU A 45 -4.085 -8.036 -1.655 1.00 0.30 C ATOM 689 O GLU A 45 -2.906 -8.340 -1.844 1.00 0.35 O ATOM 690 CB GLU A 45 -5.691 -9.408 -2.945 1.00 0.47 C ATOM 691 CG GLU A 45 -7.131 -9.410 -3.407 1.00 0.99 C ATOM 692 CD GLU A 45 -7.691 -10.810 -3.520 1.00 1.17 C ATOM 693 OE1 GLU A 45 -7.461 -11.464 -4.560 1.00 1.43 O ATOM 694 OE2 GLU A 45 -8.361 -11.262 -2.570 1.00 1.64 O ATOM 0 H GLU A 45 -4.057 -8.281 -4.579 1.00 0.31 H new ATOM 0 HA GLU A 45 -5.887 -7.306 -2.539 1.00 0.34 H new ATOM 0 HB2 GLU A 45 -5.090 -9.970 -3.660 1.00 0.47 H new ATOM 0 HB3 GLU A 45 -5.625 -9.932 -1.992 1.00 0.47 H new ATOM 0 HG2 GLU A 45 -7.736 -8.833 -2.708 1.00 0.99 H new ATOM 0 HG3 GLU A 45 -7.201 -8.913 -4.374 1.00 0.99 H new ATOM 701 N THR A 46 -4.584 -7.734 -0.481 1.00 0.29 N ATOM 702 CA THR A 46 -3.794 -7.807 0.724 1.00 0.31 C ATOM 703 C THR A 46 -4.199 -9.037 1.524 1.00 0.39 C ATOM 704 O THR A 46 -5.283 -9.588 1.319 1.00 0.49 O ATOM 705 CB THR A 46 -3.968 -6.547 1.588 1.00 0.42 C ATOM 706 OG1 THR A 46 -5.351 -6.372 1.916 1.00 0.53 O ATOM 707 CG2 THR A 46 -3.461 -5.313 0.859 1.00 0.50 C ATOM 0 H THR A 46 -5.547 -7.431 -0.334 1.00 0.29 H new ATOM 0 HA THR A 46 -2.744 -7.877 0.438 1.00 0.31 H new ATOM 0 HB THR A 46 -3.385 -6.676 2.500 1.00 0.42 H new ATOM 0 HG1 THR A 46 -5.860 -6.186 1.099 1.00 0.53 H new ATOM 0 HG21 THR A 46 -3.596 -4.436 1.492 1.00 0.50 H new ATOM 0 HG22 THR A 46 -2.403 -5.436 0.629 1.00 0.50 H new ATOM 0 HG23 THR A 46 -4.021 -5.182 -0.067 1.00 0.50 H new ATOM 715 N ARG A 47 -3.326 -9.473 2.422 1.00 0.39 N ATOM 716 CA ARG A 47 -3.642 -10.565 3.336 1.00 0.51 C ATOM 717 C ARG A 47 -4.775 -10.143 4.264 1.00 0.72 C ATOM 718 O ARG A 47 -5.444 -10.972 4.877 1.00 0.92 O ATOM 719 CB ARG A 47 -2.416 -10.933 4.170 1.00 0.54 C ATOM 720 CG ARG A 47 -1.250 -11.488 3.375 1.00 0.95 C ATOM 721 CD ARG A 47 -0.079 -11.798 4.292 1.00 1.27 C ATOM 722 NE ARG A 47 1.037 -12.426 3.591 1.00 2.09 N ATOM 723 CZ ARG A 47 2.273 -12.500 4.082 1.00 2.77 C ATOM 724 NH1 ARG A 47 2.561 -11.942 5.251 1.00 2.94 N ATOM 725 NH2 ARG A 47 3.219 -13.130 3.400 1.00 3.73 N ATOM 0 H ARG A 47 -2.389 -9.086 2.538 1.00 0.39 H new ATOM 0 HA ARG A 47 -3.947 -11.433 2.752 1.00 0.51 H new ATOM 0 HB2 ARG A 47 -2.081 -10.047 4.709 1.00 0.54 H new ATOM 0 HB3 ARG A 47 -2.710 -11.669 4.918 1.00 0.54 H new ATOM 0 HG2 ARG A 47 -1.558 -12.393 2.850 1.00 0.95 H new ATOM 0 HG3 ARG A 47 -0.944 -10.768 2.616 1.00 0.95 H new ATOM 0 HD2 ARG A 47 0.265 -10.875 4.760 1.00 1.27 H new ATOM 0 HD3 ARG A 47 -0.415 -12.456 5.094 1.00 1.27 H new ATOM 0 HE ARG A 47 0.860 -12.832 2.672 1.00 2.09 H new ATOM 0 HH11 ARG A 47 1.835 -11.455 5.776 1.00 2.94 H new ATOM 0 HH12 ARG A 47 3.508 -12.000 5.624 1.00 2.94 H new ATOM 0 HH21 ARG A 47 3.000 -13.557 2.500 1.00 3.73 H new ATOM 0 HH22 ARG A 47 4.166 -13.187 3.775 1.00 3.73 H new ATOM 739 N ASP A 48 -4.987 -8.834 4.336 1.00 0.78 N ATOM 740 CA ASP A 48 -6.003 -8.248 5.201 1.00 1.06 C ATOM 741 C ASP A 48 -7.383 -8.382 4.563 1.00 1.04 C ATOM 742 O ASP A 48 -8.406 -8.371 5.249 1.00 1.45 O ATOM 743 CB ASP A 48 -5.671 -6.771 5.446 1.00 1.30 C ATOM 744 CG ASP A 48 -6.707 -6.052 6.288 1.00 1.83 C ATOM 745 OD1 ASP A 48 -7.672 -5.506 5.715 1.00 1.79 O ATOM 746 OD2 ASP A 48 -6.546 -6.005 7.526 1.00 2.70 O ATOM 0 H ASP A 48 -4.459 -8.149 3.796 1.00 0.78 H new ATOM 0 HA ASP A 48 -6.014 -8.777 6.154 1.00 1.06 H new ATOM 0 HB2 ASP A 48 -4.701 -6.701 5.939 1.00 1.30 H new ATOM 0 HB3 ASP A 48 -5.578 -6.263 4.486 1.00 1.30 H new ATOM 751 N GLY A 49 -7.395 -8.528 3.246 1.00 0.68 N ATOM 752 CA GLY A 49 -8.645 -8.640 2.524 1.00 0.72 C ATOM 753 C GLY A 49 -9.044 -7.327 1.903 1.00 0.70 C ATOM 754 O GLY A 49 -10.114 -7.201 1.309 1.00 0.77 O ATOM 0 H GLY A 49 -6.559 -8.571 2.663 1.00 0.68 H new ATOM 0 HA2 GLY A 49 -8.550 -9.398 1.746 1.00 0.72 H new ATOM 0 HA3 GLY A 49 -9.429 -8.976 3.202 1.00 0.72 H new ATOM 758 N THR A 50 -8.158 -6.355 2.006 1.00 0.65 N ATOM 759 CA THR A 50 -8.405 -5.033 1.479 1.00 0.69 C ATOM 760 C THR A 50 -7.750 -4.919 0.099 1.00 0.55 C ATOM 761 O THR A 50 -6.804 -5.652 -0.203 1.00 0.52 O ATOM 762 CB THR A 50 -7.856 -3.953 2.446 1.00 0.83 C ATOM 763 OG1 THR A 50 -8.518 -4.057 3.716 1.00 1.25 O ATOM 764 CG2 THR A 50 -8.053 -2.547 1.901 1.00 1.35 C ATOM 0 H THR A 50 -7.249 -6.462 2.457 1.00 0.65 H new ATOM 0 HA THR A 50 -9.478 -4.871 1.380 1.00 0.69 H new ATOM 0 HB THR A 50 -6.786 -4.129 2.557 1.00 0.83 H new ATOM 0 HG1 THR A 50 -8.128 -4.796 4.229 1.00 1.25 H new ATOM 0 HG21 THR A 50 -7.654 -1.822 2.611 1.00 1.35 H new ATOM 0 HG22 THR A 50 -7.530 -2.449 0.950 1.00 1.35 H new ATOM 0 HG23 THR A 50 -9.116 -2.360 1.751 1.00 1.35 H new ATOM 772 N LYS A 51 -8.257 -4.030 -0.732 1.00 0.53 N ATOM 773 CA LYS A 51 -7.749 -3.877 -2.081 1.00 0.52 C ATOM 774 C LYS A 51 -7.077 -2.520 -2.204 1.00 0.51 C ATOM 775 O LYS A 51 -7.582 -1.522 -1.686 1.00 0.56 O ATOM 776 CB LYS A 51 -8.882 -4.001 -3.103 1.00 0.59 C ATOM 777 CG LYS A 51 -9.832 -5.164 -2.839 1.00 0.67 C ATOM 778 CD LYS A 51 -9.117 -6.505 -2.844 1.00 1.19 C ATOM 779 CE LYS A 51 -10.088 -7.659 -2.621 1.00 1.26 C ATOM 780 NZ LYS A 51 -10.894 -7.486 -1.380 1.00 1.84 N ATOM 0 H LYS A 51 -9.024 -3.400 -0.495 1.00 0.53 H new ATOM 0 HA LYS A 51 -7.025 -4.666 -2.284 1.00 0.52 H new ATOM 0 HB2 LYS A 51 -9.454 -3.073 -3.110 1.00 0.59 H new ATOM 0 HB3 LYS A 51 -8.450 -4.117 -4.097 1.00 0.59 H new ATOM 0 HG2 LYS A 51 -10.321 -5.019 -1.876 1.00 0.67 H new ATOM 0 HG3 LYS A 51 -10.615 -5.170 -3.597 1.00 0.67 H new ATOM 0 HD2 LYS A 51 -8.603 -6.640 -3.795 1.00 1.19 H new ATOM 0 HD3 LYS A 51 -8.355 -6.514 -2.065 1.00 1.19 H new ATOM 0 HE2 LYS A 51 -10.757 -7.739 -3.478 1.00 1.26 H new ATOM 0 HE3 LYS A 51 -9.531 -8.594 -2.563 1.00 1.26 H new ATOM 0 HZ1 LYS A 51 -11.440 -8.352 -1.197 1.00 1.84 H new ATOM 0 HZ2 LYS A 51 -10.260 -7.300 -0.577 1.00 1.84 H new ATOM 0 HZ3 LYS A 51 -11.546 -6.685 -1.499 1.00 1.84 H new ATOM 794 N ILE A 52 -5.925 -2.491 -2.851 1.00 0.47 N ATOM 795 CA ILE A 52 -5.156 -1.261 -2.994 1.00 0.46 C ATOM 796 C ILE A 52 -4.632 -1.120 -4.419 1.00 0.46 C ATOM 797 O ILE A 52 -4.440 -2.112 -5.121 1.00 0.52 O ATOM 798 CB ILE A 52 -3.955 -1.214 -2.012 1.00 0.48 C ATOM 799 CG1 ILE A 52 -3.004 -2.387 -2.279 1.00 0.49 C ATOM 800 CG2 ILE A 52 -4.437 -1.235 -0.564 1.00 0.66 C ATOM 801 CD1 ILE A 52 -1.755 -2.373 -1.425 1.00 0.51 C ATOM 0 H ILE A 52 -5.498 -3.307 -3.288 1.00 0.47 H new ATOM 0 HA ILE A 52 -5.830 -0.437 -2.761 1.00 0.46 H new ATOM 0 HB ILE A 52 -3.414 -0.282 -2.176 1.00 0.48 H new ATOM 0 HG12 ILE A 52 -3.539 -3.321 -2.107 1.00 0.49 H new ATOM 0 HG13 ILE A 52 -2.714 -2.374 -3.330 1.00 0.49 H new ATOM 0 HG21 ILE A 52 -3.578 -1.201 0.106 1.00 0.66 H new ATOM 0 HG22 ILE A 52 -5.075 -0.370 -0.380 1.00 0.66 H new ATOM 0 HG23 ILE A 52 -5.003 -2.148 -0.382 1.00 0.66 H new ATOM 0 HD11 ILE A 52 -1.135 -3.234 -1.673 1.00 0.51 H new ATOM 0 HD12 ILE A 52 -1.196 -1.457 -1.613 1.00 0.51 H new ATOM 0 HD13 ILE A 52 -2.034 -2.418 -0.372 1.00 0.51 H new ATOM 813 N ILE A 53 -4.404 0.116 -4.832 1.00 0.42 N ATOM 814 CA ILE A 53 -3.830 0.399 -6.144 1.00 0.41 C ATOM 815 C ILE A 53 -3.103 1.735 -6.123 1.00 0.42 C ATOM 816 O ILE A 53 -3.521 2.668 -5.443 1.00 0.44 O ATOM 817 CB ILE A 53 -4.877 0.377 -7.306 1.00 0.40 C ATOM 818 CG1 ILE A 53 -4.363 1.172 -8.523 1.00 0.43 C ATOM 819 CG2 ILE A 53 -6.229 0.900 -6.855 1.00 0.42 C ATOM 820 CD1 ILE A 53 -5.386 1.388 -9.617 1.00 0.98 C ATOM 0 H ILE A 53 -4.608 0.946 -4.276 1.00 0.42 H new ATOM 0 HA ILE A 53 -3.126 -0.408 -6.348 1.00 0.41 H new ATOM 0 HB ILE A 53 -5.010 -0.663 -7.604 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -4.007 2.144 -8.181 1.00 0.43 H new ATOM 0 HG13 ILE A 53 -3.505 0.649 -8.945 1.00 0.43 H new ATOM 0 HG21 ILE A 53 -6.928 0.869 -7.690 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -6.606 0.280 -6.042 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -6.124 1.928 -6.508 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -4.934 1.956 -10.431 1.00 0.98 H new ATOM 0 HD12 ILE A 53 -5.726 0.423 -9.993 1.00 0.98 H new ATOM 0 HD13 ILE A 53 -6.236 1.941 -9.217 1.00 0.98 H new ATOM 832 N MET A 54 -2.025 1.815 -6.877 1.00 0.44 N ATOM 833 CA MET A 54 -1.238 3.033 -6.977 1.00 0.47 C ATOM 834 C MET A 54 -1.739 3.789 -8.191 1.00 0.48 C ATOM 835 O MET A 54 -1.763 3.244 -9.294 1.00 0.54 O ATOM 836 CB MET A 54 0.243 2.664 -7.123 1.00 0.52 C ATOM 837 CG MET A 54 1.226 3.728 -6.658 1.00 0.60 C ATOM 838 SD MET A 54 1.406 5.108 -7.804 1.00 1.08 S ATOM 839 CE MET A 54 2.830 5.925 -7.084 1.00 1.50 C ATOM 0 H MET A 54 -1.668 1.041 -7.437 1.00 0.44 H new ATOM 0 HA MET A 54 -1.339 3.656 -6.088 1.00 0.47 H new ATOM 0 HB2 MET A 54 0.430 1.749 -6.561 1.00 0.52 H new ATOM 0 HB3 MET A 54 0.443 2.440 -8.171 1.00 0.52 H new ATOM 0 HG2 MET A 54 0.900 4.112 -5.691 1.00 0.60 H new ATOM 0 HG3 MET A 54 2.201 3.266 -6.505 1.00 0.60 H new ATOM 0 HE1 MET A 54 3.416 6.397 -7.873 1.00 1.50 H new ATOM 0 HE2 MET A 54 2.495 6.684 -6.377 1.00 1.50 H new ATOM 0 HE3 MET A 54 3.446 5.191 -6.564 1.00 1.50 H new ATOM 849 N LYS A 55 -2.184 5.014 -7.991 1.00 0.52 N ATOM 850 CA LYS A 55 -2.834 5.754 -9.059 1.00 0.58 C ATOM 851 C LYS A 55 -2.483 7.229 -8.988 1.00 0.66 C ATOM 852 O LYS A 55 -2.728 7.883 -7.978 1.00 0.70 O ATOM 853 CB LYS A 55 -4.353 5.574 -8.976 1.00 0.72 C ATOM 854 CG LYS A 55 -5.104 6.161 -10.161 1.00 0.95 C ATOM 855 CD LYS A 55 -4.738 5.450 -11.451 1.00 0.94 C ATOM 856 CE LYS A 55 -5.414 6.086 -12.652 1.00 1.11 C ATOM 857 NZ LYS A 55 -6.894 6.028 -12.551 1.00 1.69 N ATOM 0 H LYS A 55 -2.109 5.516 -7.107 1.00 0.52 H new ATOM 0 HA LYS A 55 -2.478 5.361 -10.011 1.00 0.58 H new ATOM 0 HB2 LYS A 55 -4.580 4.510 -8.904 1.00 0.72 H new ATOM 0 HB3 LYS A 55 -4.716 6.041 -8.060 1.00 0.72 H new ATOM 0 HG2 LYS A 55 -6.178 6.080 -9.990 1.00 0.95 H new ATOM 0 HG3 LYS A 55 -4.874 7.223 -10.250 1.00 0.95 H new ATOM 0 HD2 LYS A 55 -3.657 5.475 -11.586 1.00 0.94 H new ATOM 0 HD3 LYS A 55 -5.027 4.401 -11.383 1.00 0.94 H new ATOM 0 HE2 LYS A 55 -5.097 7.125 -12.739 1.00 1.11 H new ATOM 0 HE3 LYS A 55 -5.092 5.578 -13.561 1.00 1.11 H new ATOM 0 HZ1 LYS A 55 -7.315 6.315 -13.457 1.00 1.69 H new ATOM 0 HZ2 LYS A 55 -7.189 5.057 -12.325 1.00 1.69 H new ATOM 0 HZ3 LYS A 55 -7.216 6.671 -11.800 1.00 1.69 H new ATOM 871 N GLY A 56 -1.909 7.737 -10.066 1.00 0.77 N ATOM 872 CA GLY A 56 -1.565 9.146 -10.144 1.00 0.93 C ATOM 873 C GLY A 56 -0.640 9.589 -9.028 1.00 0.94 C ATOM 874 O GLY A 56 -0.872 10.626 -8.407 1.00 1.21 O ATOM 0 H GLY A 56 -1.672 7.196 -10.897 1.00 0.77 H new ATOM 0 HA2 GLY A 56 -1.090 9.346 -11.104 1.00 0.93 H new ATOM 0 HA3 GLY A 56 -2.478 9.740 -10.110 1.00 0.93 H new ATOM 878 N ASN A 57 0.391 8.784 -8.763 1.00 0.99 N ATOM 879 CA ASN A 57 1.385 9.077 -7.716 1.00 1.05 C ATOM 880 C ASN A 57 0.768 8.994 -6.319 1.00 0.97 C ATOM 881 O ASN A 57 1.392 9.373 -5.326 1.00 1.15 O ATOM 882 CB ASN A 57 2.042 10.454 -7.922 1.00 1.30 C ATOM 883 CG ASN A 57 2.981 10.500 -9.117 1.00 1.96 C ATOM 884 OD1 ASN A 57 4.006 11.182 -9.090 1.00 2.10 O ATOM 885 ND2 ASN A 57 2.636 9.790 -10.177 1.00 2.90 N ATOM 0 H ASN A 57 0.564 7.912 -9.264 1.00 0.99 H new ATOM 0 HA ASN A 57 2.160 8.315 -7.798 1.00 1.05 H new ATOM 0 HB2 ASN A 57 1.263 11.205 -8.052 1.00 1.30 H new ATOM 0 HB3 ASN A 57 2.596 10.723 -7.023 1.00 1.30 H new ATOM 0 HD21 ASN A 57 3.226 9.795 -11.009 1.00 2.90 H new ATOM 0 HD22 ASN A 57 1.779 9.237 -10.163 1.00 2.90 H new ATOM 892 N GLU A 58 -0.444 8.468 -6.253 1.00 0.86 N ATOM 893 CA GLU A 58 -1.148 8.275 -4.991 1.00 0.84 C ATOM 894 C GLU A 58 -1.444 6.809 -4.789 1.00 0.69 C ATOM 895 O GLU A 58 -1.012 5.967 -5.576 1.00 0.75 O ATOM 896 CB GLU A 58 -2.471 9.036 -4.978 1.00 0.88 C ATOM 897 CG GLU A 58 -2.326 10.547 -5.062 1.00 1.05 C ATOM 898 CD GLU A 58 -3.657 11.267 -4.966 1.00 1.30 C ATOM 899 OE1 GLU A 58 -4.290 11.494 -6.015 1.00 1.63 O ATOM 900 OE2 GLU A 58 -4.075 11.612 -3.840 1.00 1.66 O ATOM 0 H GLU A 58 -0.970 8.162 -7.072 1.00 0.86 H new ATOM 0 HA GLU A 58 -0.508 8.651 -4.193 1.00 0.84 H new ATOM 0 HB2 GLU A 58 -3.081 8.694 -5.814 1.00 0.88 H new ATOM 0 HB3 GLU A 58 -3.012 8.785 -4.066 1.00 0.88 H new ATOM 0 HG2 GLU A 58 -1.673 10.891 -4.260 1.00 1.05 H new ATOM 0 HG3 GLU A 58 -1.842 10.810 -6.002 1.00 1.05 H new ATOM 907 N ILE A 59 -2.204 6.505 -3.755 1.00 0.64 N ATOM 908 CA ILE A 59 -2.602 5.146 -3.514 1.00 0.56 C ATOM 909 C ILE A 59 -4.057 5.099 -3.070 1.00 0.55 C ATOM 910 O ILE A 59 -4.498 5.848 -2.195 1.00 0.63 O ATOM 911 CB ILE A 59 -1.679 4.420 -2.497 1.00 0.62 C ATOM 912 CG1 ILE A 59 -1.495 2.966 -2.932 1.00 0.79 C ATOM 913 CG2 ILE A 59 -2.226 4.480 -1.074 1.00 0.58 C ATOM 914 CD1 ILE A 59 -0.633 2.146 -2.000 1.00 0.92 C ATOM 0 H ILE A 59 -2.553 7.182 -3.076 1.00 0.64 H new ATOM 0 HA ILE A 59 -2.500 4.605 -4.455 1.00 0.56 H new ATOM 0 HB ILE A 59 -0.718 4.933 -2.489 1.00 0.62 H new ATOM 0 HG12 ILE A 59 -2.475 2.495 -3.011 1.00 0.79 H new ATOM 0 HG13 ILE A 59 -1.052 2.949 -3.928 1.00 0.79 H new ATOM 0 HG21 ILE A 59 -1.546 3.959 -0.400 1.00 0.58 H new ATOM 0 HG22 ILE A 59 -2.318 5.521 -0.763 1.00 0.58 H new ATOM 0 HG23 ILE A 59 -3.206 4.003 -1.040 1.00 0.58 H new ATOM 0 HD11 ILE A 59 -0.553 1.128 -2.380 1.00 0.92 H new ATOM 0 HD12 ILE A 59 0.361 2.590 -1.939 1.00 0.92 H new ATOM 0 HD13 ILE A 59 -1.084 2.128 -1.008 1.00 0.92 H new ATOM 926 N PHE A 60 -4.806 4.263 -3.737 1.00 0.48 N ATOM 927 CA PHE A 60 -6.143 3.934 -3.325 1.00 0.48 C ATOM 928 C PHE A 60 -6.032 2.833 -2.292 1.00 0.48 C ATOM 929 O PHE A 60 -5.406 1.802 -2.535 1.00 0.45 O ATOM 930 CB PHE A 60 -6.961 3.531 -4.578 1.00 0.50 C ATOM 931 CG PHE A 60 -7.946 2.377 -4.458 1.00 0.48 C ATOM 932 CD1 PHE A 60 -7.515 1.096 -4.159 1.00 0.44 C ATOM 933 CD2 PHE A 60 -9.292 2.566 -4.730 1.00 0.69 C ATOM 934 CE1 PHE A 60 -8.383 0.035 -4.127 1.00 0.47 C ATOM 935 CE2 PHE A 60 -10.177 1.499 -4.686 1.00 0.71 C ATOM 936 CZ PHE A 60 -9.714 0.229 -4.386 1.00 0.54 C ATOM 0 H PHE A 60 -4.503 3.788 -4.587 1.00 0.48 H new ATOM 0 HA PHE A 60 -6.669 4.773 -2.869 1.00 0.48 H new ATOM 0 HB2 PHE A 60 -7.516 4.409 -4.909 1.00 0.50 H new ATOM 0 HB3 PHE A 60 -6.255 3.284 -5.370 1.00 0.50 H new ATOM 0 HD1 PHE A 60 -6.470 0.928 -3.946 1.00 0.44 H new ATOM 0 HD2 PHE A 60 -9.655 3.553 -4.978 1.00 0.69 H new ATOM 0 HE1 PHE A 60 -8.017 -0.955 -3.897 1.00 0.47 H new ATOM 0 HE2 PHE A 60 -11.226 1.659 -4.886 1.00 0.71 H new ATOM 0 HZ PHE A 60 -10.399 -0.605 -4.356 1.00 0.54 H new ATOM 946 N ARG A 61 -6.544 3.085 -1.111 1.00 0.60 N ATOM 947 CA ARG A 61 -6.782 2.005 -0.195 1.00 0.70 C ATOM 948 C ARG A 61 -8.268 1.861 -0.132 1.00 0.69 C ATOM 949 O ARG A 61 -8.924 2.546 0.653 1.00 0.88 O ATOM 950 CB ARG A 61 -6.234 2.288 1.205 1.00 1.03 C ATOM 951 CG ARG A 61 -6.244 1.068 2.111 1.00 1.21 C ATOM 952 CD ARG A 61 -5.875 1.420 3.540 1.00 1.51 C ATOM 953 NE ARG A 61 -6.975 2.055 4.271 1.00 2.25 N ATOM 954 CZ ARG A 61 -7.010 2.163 5.602 1.00 2.70 C ATOM 955 NH1 ARG A 61 -6.033 1.644 6.333 1.00 2.72 N ATOM 956 NH2 ARG A 61 -8.038 2.751 6.203 1.00 3.56 N ATOM 0 H ARG A 61 -6.799 4.012 -0.770 1.00 0.60 H new ATOM 0 HA ARG A 61 -6.277 1.102 -0.538 1.00 0.70 H new ATOM 0 HB2 ARG A 61 -5.213 2.661 1.120 1.00 1.03 H new ATOM 0 HB3 ARG A 61 -6.825 3.079 1.666 1.00 1.03 H new ATOM 0 HG2 ARG A 61 -7.234 0.611 2.094 1.00 1.21 H new ATOM 0 HG3 ARG A 61 -5.544 0.326 1.728 1.00 1.21 H new ATOM 0 HD2 ARG A 61 -5.571 0.515 4.065 1.00 1.51 H new ATOM 0 HD3 ARG A 61 -5.015 2.089 3.534 1.00 1.51 H new ATOM 0 HE ARG A 61 -7.755 2.435 3.735 1.00 2.25 H new ATOM 0 HH11 ARG A 61 -5.256 1.163 5.879 1.00 2.72 H new ATOM 0 HH12 ARG A 61 -6.058 1.726 7.349 1.00 2.72 H new ATOM 0 HH21 ARG A 61 -8.808 3.124 5.648 1.00 3.56 H new ATOM 0 HH22 ARG A 61 -8.057 2.830 7.220 1.00 3.56 H new ATOM 970 N LEU A 62 -8.768 0.936 -0.931 1.00 0.78 N ATOM 971 CA LEU A 62 -10.210 0.776 -1.132 1.00 1.07 C ATOM 972 C LEU A 62 -10.932 2.098 -1.553 1.00 1.19 C ATOM 973 O LEU A 62 -12.067 2.065 -2.033 1.00 1.40 O ATOM 974 CB LEU A 62 -10.736 0.230 0.178 1.00 1.26 C ATOM 975 CG LEU A 62 -11.918 0.933 0.811 1.00 1.08 C ATOM 976 CD1 LEU A 62 -13.241 0.474 0.215 1.00 1.36 C ATOM 977 CD2 LEU A 62 -11.848 0.664 2.281 1.00 1.32 C ATOM 0 H LEU A 62 -8.197 0.276 -1.459 1.00 0.78 H new ATOM 0 HA LEU A 62 -10.409 0.102 -1.965 1.00 1.07 H new ATOM 0 HB2 LEU A 62 -11.012 -0.813 0.020 1.00 1.26 H new ATOM 0 HB3 LEU A 62 -9.917 0.238 0.897 1.00 1.26 H new ATOM 0 HG LEU A 62 -11.871 2.004 0.615 1.00 1.08 H new ATOM 0 HD11 LEU A 62 -14.061 1.004 0.699 1.00 1.36 H new ATOM 0 HD12 LEU A 62 -13.252 0.687 -0.854 1.00 1.36 H new ATOM 0 HD13 LEU A 62 -13.359 -0.598 0.373 1.00 1.36 H new ATOM 0 HD21 LEU A 62 -12.684 1.153 2.781 1.00 1.32 H new ATOM 0 HD22 LEU A 62 -11.899 -0.410 2.457 1.00 1.32 H new ATOM 0 HD23 LEU A 62 -10.910 1.053 2.678 1.00 1.32 H new ATOM 989 N ASP A 63 -10.238 3.238 -1.416 1.00 1.20 N ATOM 990 CA ASP A 63 -10.804 4.583 -1.582 1.00 1.33 C ATOM 991 C ASP A 63 -11.817 4.890 -0.473 1.00 1.52 C ATOM 992 O ASP A 63 -12.457 3.992 0.068 1.00 2.14 O ATOM 993 CB ASP A 63 -11.399 4.778 -2.985 1.00 1.34 C ATOM 994 CG ASP A 63 -12.152 6.091 -3.150 1.00 1.60 C ATOM 995 OD1 ASP A 63 -11.634 7.150 -2.717 1.00 1.69 O ATOM 996 OD2 ASP A 63 -13.267 6.073 -3.717 1.00 1.88 O ATOM 0 H ASP A 63 -9.245 3.249 -1.181 1.00 1.20 H new ATOM 0 HA ASP A 63 -9.992 5.304 -1.488 1.00 1.33 H new ATOM 0 HB2 ASP A 63 -10.596 4.734 -3.721 1.00 1.34 H new ATOM 0 HB3 ASP A 63 -12.075 3.951 -3.202 1.00 1.34 H new ATOM 1001 N GLU A 64 -11.890 6.171 -0.109 1.00 1.62 N ATOM 1002 CA GLU A 64 -12.708 6.676 1.006 1.00 1.93 C ATOM 1003 C GLU A 64 -12.007 6.413 2.343 1.00 1.82 C ATOM 1004 O GLU A 64 -11.900 7.304 3.181 1.00 2.06 O ATOM 1005 CB GLU A 64 -14.123 6.073 0.998 1.00 2.31 C ATOM 1006 CG GLU A 64 -15.039 6.620 2.084 1.00 2.80 C ATOM 1007 CD GLU A 64 -15.307 8.108 1.948 1.00 3.36 C ATOM 1008 OE1 GLU A 64 -16.096 8.495 1.064 1.00 3.77 O ATOM 1009 OE2 GLU A 64 -14.721 8.897 2.722 1.00 3.80 O ATOM 0 H GLU A 64 -11.372 6.907 -0.589 1.00 1.62 H new ATOM 0 HA GLU A 64 -12.819 7.752 0.875 1.00 1.93 H new ATOM 0 HB2 GLU A 64 -14.579 6.258 0.026 1.00 2.31 H new ATOM 0 HB3 GLU A 64 -14.046 4.992 1.113 1.00 2.31 H new ATOM 0 HG2 GLU A 64 -15.987 6.083 2.055 1.00 2.80 H new ATOM 0 HG3 GLU A 64 -14.592 6.426 3.059 1.00 2.80 H new ATOM 1016 N ALA A 65 -11.499 5.193 2.501 1.00 1.56 N ATOM 1017 CA ALA A 65 -10.769 4.777 3.703 1.00 1.58 C ATOM 1018 C ALA A 65 -9.671 5.757 4.089 1.00 1.62 C ATOM 1019 O ALA A 65 -9.615 6.264 5.206 1.00 1.76 O ATOM 1020 CB ALA A 65 -10.135 3.428 3.450 1.00 1.52 C ATOM 0 H ALA A 65 -11.581 4.459 1.797 1.00 1.56 H new ATOM 0 HA ALA A 65 -11.487 4.737 4.522 1.00 1.58 H new ATOM 0 HB1 ALA A 65 -9.590 3.110 4.339 1.00 1.52 H new ATOM 0 HB2 ALA A 65 -10.912 2.698 3.220 1.00 1.52 H new ATOM 0 HB3 ALA A 65 -9.446 3.502 2.608 1.00 1.52 H new ATOM 1026 N LEU A 66 -8.788 5.982 3.141 1.00 1.64 N ATOM 1027 CA LEU A 66 -7.603 6.801 3.339 1.00 1.88 C ATOM 1028 C LEU A 66 -7.855 8.230 2.892 1.00 2.10 C ATOM 1029 O LEU A 66 -7.045 9.127 3.124 1.00 2.36 O ATOM 1030 CB LEU A 66 -6.403 6.172 2.590 1.00 2.16 C ATOM 1031 CG LEU A 66 -6.443 6.113 1.040 1.00 1.52 C ATOM 1032 CD1 LEU A 66 -7.707 5.449 0.494 1.00 1.76 C ATOM 1033 CD2 LEU A 66 -6.265 7.501 0.449 1.00 1.84 C ATOM 0 H LEU A 66 -8.870 5.599 2.199 1.00 1.64 H new ATOM 0 HA LEU A 66 -7.364 6.834 4.402 1.00 1.88 H new ATOM 0 HB2 LEU A 66 -5.508 6.723 2.877 1.00 2.16 H new ATOM 0 HB3 LEU A 66 -6.281 5.153 2.957 1.00 2.16 H new ATOM 0 HG LEU A 66 -5.609 5.482 0.732 1.00 1.52 H new ATOM 0 HD11 LEU A 66 -7.672 5.440 -0.595 1.00 1.76 H new ATOM 0 HD12 LEU A 66 -7.769 4.425 0.863 1.00 1.76 H new ATOM 0 HD13 LEU A 66 -8.583 6.007 0.824 1.00 1.76 H new ATOM 0 HD21 LEU A 66 -6.296 7.440 -0.639 1.00 1.84 H new ATOM 0 HD22 LEU A 66 -7.067 8.151 0.799 1.00 1.84 H new ATOM 0 HD23 LEU A 66 -5.304 7.909 0.762 1.00 1.84 H new ATOM 1045 N ARG A 67 -8.999 8.426 2.278 1.00 2.14 N ATOM 1046 CA ARG A 67 -9.323 9.657 1.618 1.00 2.52 C ATOM 1047 C ARG A 67 -10.264 10.454 2.511 1.00 2.72 C ATOM 1048 O ARG A 67 -10.419 10.145 3.691 1.00 3.05 O ATOM 1049 CB ARG A 67 -9.963 9.304 0.270 1.00 2.77 C ATOM 1050 CG ARG A 67 -9.990 10.412 -0.765 1.00 3.00 C ATOM 1051 CD ARG A 67 -10.093 9.826 -2.160 1.00 3.22 C ATOM 1052 NE ARG A 67 -10.448 10.821 -3.164 1.00 3.39 N ATOM 1053 CZ ARG A 67 -11.294 10.580 -4.167 1.00 3.94 C ATOM 1054 NH1 ARG A 67 -11.817 9.366 -4.322 1.00 4.45 N ATOM 1055 NH2 ARG A 67 -11.607 11.543 -5.018 1.00 4.37 N ATOM 0 H ARG A 67 -9.736 7.723 2.226 1.00 2.14 H new ATOM 0 HA ARG A 67 -8.442 10.272 1.435 1.00 2.52 H new ATOM 0 HB2 ARG A 67 -9.428 8.453 -0.152 1.00 2.77 H new ATOM 0 HB3 ARG A 67 -10.987 8.978 0.451 1.00 2.77 H new ATOM 0 HG2 ARG A 67 -10.836 11.074 -0.578 1.00 3.00 H new ATOM 0 HG3 ARG A 67 -9.087 11.018 -0.683 1.00 3.00 H new ATOM 0 HD2 ARG A 67 -9.141 9.369 -2.429 1.00 3.22 H new ATOM 0 HD3 ARG A 67 -10.840 9.032 -2.162 1.00 3.22 H new ATOM 0 HE ARG A 67 -10.029 11.748 -3.096 1.00 3.39 H new ATOM 0 HH11 ARG A 67 -11.571 8.618 -3.673 1.00 4.45 H new ATOM 0 HH12 ARG A 67 -12.464 9.183 -5.089 1.00 4.45 H new ATOM 0 HH21 ARG A 67 -11.201 12.472 -4.908 1.00 4.37 H new ATOM 0 HH22 ARG A 67 -12.254 11.356 -5.784 1.00 4.37 H new ATOM 1069 N LYS A 68 -10.871 11.466 1.954 1.00 2.79 N ATOM 1070 CA LYS A 68 -11.811 12.295 2.686 1.00 3.26 C ATOM 1071 C LYS A 68 -13.223 12.030 2.190 1.00 3.31 C ATOM 1072 O LYS A 68 -13.403 11.381 1.156 1.00 3.49 O ATOM 1073 CB LYS A 68 -11.456 13.774 2.531 1.00 3.73 C ATOM 1074 CG LYS A 68 -11.411 14.250 1.088 1.00 4.12 C ATOM 1075 CD LYS A 68 -11.006 15.713 0.995 1.00 4.65 C ATOM 1076 CE LYS A 68 -12.005 16.620 1.697 1.00 5.37 C ATOM 1077 NZ LYS A 68 -11.601 18.047 1.622 1.00 5.92 N ATOM 0 H LYS A 68 -10.734 11.745 0.983 1.00 2.79 H new ATOM 0 HA LYS A 68 -11.755 12.043 3.745 1.00 3.26 H new ATOM 0 HB2 LYS A 68 -12.186 14.372 3.078 1.00 3.73 H new ATOM 0 HB3 LYS A 68 -10.485 13.955 2.993 1.00 3.73 H new ATOM 0 HG2 LYS A 68 -10.705 13.640 0.525 1.00 4.12 H new ATOM 0 HG3 LYS A 68 -12.390 14.113 0.628 1.00 4.12 H new ATOM 0 HD2 LYS A 68 -10.019 15.846 1.439 1.00 4.65 H new ATOM 0 HD3 LYS A 68 -10.926 16.002 -0.053 1.00 4.65 H new ATOM 0 HE2 LYS A 68 -12.989 16.496 1.244 1.00 5.37 H new ATOM 0 HE3 LYS A 68 -12.095 16.322 2.742 1.00 5.37 H new ATOM 0 HZ1 LYS A 68 -12.307 18.634 2.111 1.00 5.92 H new ATOM 0 HZ2 LYS A 68 -10.674 18.170 2.076 1.00 5.92 H new ATOM 0 HZ3 LYS A 68 -11.540 18.339 0.626 1.00 5.92 H new ATOM 1091 N GLY A 69 -14.207 12.541 2.922 1.00 3.64 N ATOM 1092 CA GLY A 69 -15.597 12.308 2.581 1.00 4.05 C ATOM 1093 C GLY A 69 -15.926 12.749 1.172 1.00 4.58 C ATOM 1094 O GLY A 69 -15.719 13.911 0.812 1.00 5.06 O ATOM 0 H GLY A 69 -14.064 13.117 3.752 1.00 3.64 H new ATOM 0 HA2 GLY A 69 -15.822 11.247 2.689 1.00 4.05 H new ATOM 0 HA3 GLY A 69 -16.236 12.842 3.285 1.00 4.05 H new ATOM 1098 N HIS A 70 -16.409 11.818 0.365 1.00 4.87 N ATOM 1099 CA HIS A 70 -16.777 12.122 -1.010 1.00 5.68 C ATOM 1100 C HIS A 70 -18.014 13.015 -1.031 1.00 6.44 C ATOM 1101 O HIS A 70 -19.024 12.698 -0.400 1.00 6.88 O ATOM 1102 CB HIS A 70 -17.049 10.839 -1.806 1.00 5.88 C ATOM 1103 CG HIS A 70 -15.910 9.860 -1.822 1.00 5.93 C ATOM 1104 ND1 HIS A 70 -16.104 8.505 -1.962 1.00 6.60 N ATOM 1105 CD2 HIS A 70 -14.564 10.034 -1.732 1.00 5.65 C ATOM 1106 CE1 HIS A 70 -14.940 7.891 -1.953 1.00 6.67 C ATOM 1107 NE2 HIS A 70 -13.987 8.791 -1.820 1.00 6.10 N ATOM 0 H HIS A 70 -16.556 10.846 0.637 1.00 4.87 H new ATOM 0 HA HIS A 70 -15.942 12.644 -1.478 1.00 5.68 H new ATOM 0 HB2 HIS A 70 -17.928 10.347 -1.388 1.00 5.88 H new ATOM 0 HB3 HIS A 70 -17.293 11.109 -2.833 1.00 5.88 H new ATOM 0 HD2 HIS A 70 -14.046 10.974 -1.613 1.00 5.65 H new ATOM 0 HE1 HIS A 70 -14.791 6.825 -2.040 1.00 6.67 H new ATOM 0 HE2 HIS A 70 -12.986 8.597 -1.788 1.00 6.10 H new ATOM 1116 N SER A 71 -17.921 14.129 -1.748 1.00 6.86 N ATOM 1117 CA SER A 71 -19.009 15.097 -1.827 1.00 7.78 C ATOM 1118 C SER A 71 -20.282 14.460 -2.381 1.00 8.28 C ATOM 1119 O SER A 71 -20.286 13.903 -3.480 1.00 8.52 O ATOM 1120 CB SER A 71 -18.583 16.280 -2.694 1.00 8.22 C ATOM 1121 OG SER A 71 -17.411 16.887 -2.170 1.00 8.32 O ATOM 0 H SER A 71 -17.095 14.386 -2.288 1.00 6.86 H new ATOM 0 HA SER A 71 -19.229 15.449 -0.819 1.00 7.78 H new ATOM 0 HB2 SER A 71 -18.399 15.943 -3.714 1.00 8.22 H new ATOM 0 HB3 SER A 71 -19.389 17.013 -2.741 1.00 8.22 H new ATOM 0 HG SER A 71 -17.151 17.642 -2.739 1.00 8.32 H new ATOM 1127 N GLU A 72 -21.359 14.549 -1.608 1.00 8.69 N ATOM 1128 CA GLU A 72 -22.635 13.950 -1.978 1.00 9.41 C ATOM 1129 C GLU A 72 -23.301 14.712 -3.125 1.00 10.13 C ATOM 1130 O GLU A 72 -24.040 14.133 -3.924 1.00 10.75 O ATOM 1131 CB GLU A 72 -23.553 13.905 -0.755 1.00 9.75 C ATOM 1132 CG GLU A 72 -23.761 15.260 -0.093 1.00 9.88 C ATOM 1133 CD GLU A 72 -24.530 15.152 1.203 1.00 10.01 C ATOM 1134 OE1 GLU A 72 -23.915 14.840 2.245 1.00 9.88 O ATOM 1135 OE2 GLU A 72 -25.754 15.387 1.188 1.00 10.45 O ATOM 0 H GLU A 72 -21.372 15.036 -0.712 1.00 8.69 H new ATOM 0 HA GLU A 72 -22.450 12.934 -2.328 1.00 9.41 H new ATOM 0 HB2 GLU A 72 -24.522 13.505 -1.054 1.00 9.75 H new ATOM 0 HB3 GLU A 72 -23.134 13.214 -0.023 1.00 9.75 H new ATOM 0 HG2 GLU A 72 -22.792 15.721 0.099 1.00 9.88 H new ATOM 0 HG3 GLU A 72 -24.297 15.918 -0.777 1.00 9.88 H new ATOM 1142 N GLY A 73 -23.031 16.003 -3.211 1.00 10.25 N ATOM 1143 CA GLY A 73 -23.605 16.802 -4.272 1.00 11.09 C ATOM 1144 C GLY A 73 -22.606 17.774 -4.848 1.00 11.37 C ATOM 1145 O GLY A 73 -22.088 17.572 -5.946 1.00 11.62 O ATOM 0 H GLY A 73 -22.426 16.512 -2.567 1.00 10.25 H new ATOM 0 HA2 GLY A 73 -23.971 16.147 -5.062 1.00 11.09 H new ATOM 0 HA3 GLY A 73 -24.465 17.350 -3.889 1.00 11.09 H new ATOM 1149 N GLY A 74 -22.324 18.822 -4.098 1.00 11.55 N ATOM 1150 CA GLY A 74 -21.374 19.814 -4.534 1.00 12.06 C ATOM 1151 C GLY A 74 -21.063 20.791 -3.428 1.00 12.56 C ATOM 1152 O GLY A 74 -20.748 21.960 -3.725 1.00 12.99 O ATOM 1153 OXT GLY A 74 -21.151 20.391 -2.248 1.00 12.71 O ATOM 0 H GLY A 74 -22.741 19.004 -3.185 1.00 11.55 H new ATOM 0 HA2 GLY A 74 -20.456 19.325 -4.860 1.00 12.06 H new ATOM 0 HA3 GLY A 74 -21.773 20.350 -5.395 1.00 12.06 H new TER 1157 GLY A 74