USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1001 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 119 ASN : amide:sc= -0.925 K(o=-1,f=-2.4) USER MOD Set 1.2: A 121 GLN : amide:sc= -0.106 X(o=-1,f=-0.81) USER MOD Set 2.1: A 56 ASN : amide:sc= 0.398 K(o=-1.7,f=-0.29) USER MOD Set 2.2: A 106 GLN : amide:sc= -2.07 K(o=-1.7,f=-0.29!) USER MOD Single : A 1 ALA N :NH3+ 135:sc= 0.0475 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -115:sc= 0.717 (180deg=-0.0951) USER MOD Single : A 15 LYS NZ :NH3+ 148:sc= -2.5! (180deg=-4.55!) USER MOD Single : A 18 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00869) USER MOD Single : A 23 THR OG1 : rot 67:sc= 0.385 USER MOD Single : A 25 GLN : amide:sc= -1.15 K(o=-1.1,f=0) USER MOD Single : A 27 GLN : amide:sc= -7.16! C(o=-7.2!,f=-7.7!) USER MOD Single : A 30 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00508) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -120:sc= -0.115 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -133:sc= 1.33 USER MOD Single : A 42 HIS : no HE2:sc= -2.88 K(o=-2.9,f=-9.3!) USER MOD Single : A 44 TYR OH : rot 30:sc= -0.055 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 167:sc= -0.154 USER MOD Single : A 70 TYR OH : rot -32:sc= 0.461 USER MOD Single : A 74 LYS NZ :NH3+ -142:sc= 1.75 (180deg=-1.89!) USER MOD Single : A 75 ASN : amide:sc= -0.0888 X(o=-0.089,f=-0.12) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 166:sc= -0.0128 (180deg=-0.194) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.21 K(o=-0.21,f=-3.6!) USER MOD Single : A 87 GLN : amide:sc= -0.812 X(o=-0.81,f=-0.8) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 176:sc= 0.558 USER MOD Single : A 98 TYR OH : rot -172:sc= -0.86 USER MOD Single : A 100 ASN : amide:sc= -2.12 K(o=-2.1,f=-0.25) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= -0.293 USER MOD Single : A 111 MET CE :methyl 173:sc= -0.199 (180deg=-0.271) USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 113 HIS : no HD1:sc= -9.49! C(o=-9.5!,f=-22!) USER MOD Single : A 114 SER OG : rot 120:sc= 0.044 USER MOD Single : A 115 LYS NZ :NH3+ -150:sc= -0.485 (180deg=-1.71!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -0.661 K(o=-0.66,f=-0.03) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ -174:sc= -0.943 (180deg=-1.12) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.943 11.953 4.363 1.00 0.00 N ATOM 2 CA ALA A 1 -14.578 11.931 2.936 1.00 0.00 C ATOM 3 C ALA A 1 -13.837 10.638 2.629 1.00 0.00 C ATOM 4 O ALA A 1 -13.002 10.258 3.433 1.00 0.00 O ATOM 5 CB ALA A 1 -13.738 13.155 2.563 1.00 0.00 C ATOM 0 H1 ALA A 1 -14.725 12.888 4.763 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.960 11.762 4.464 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.402 11.224 4.871 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.485 11.972 2.333 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.483 13.112 1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.308 14.062 2.763 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.824 13.163 3.156 1.00 0.00 H new ATOM 13 N PRO A 2 -14.160 9.964 1.514 1.00 0.00 N ATOM 14 CA PRO A 2 -13.470 8.748 1.071 1.00 0.00 C ATOM 15 C PRO A 2 -12.026 9.015 0.600 1.00 0.00 C ATOM 16 O PRO A 2 -11.218 8.111 0.441 1.00 0.00 O ATOM 17 CB PRO A 2 -14.338 8.215 -0.080 1.00 0.00 C ATOM 18 CG PRO A 2 -15.026 9.456 -0.644 1.00 0.00 C ATOM 19 CD PRO A 2 -15.199 10.353 0.573 1.00 0.00 C ATOM 0 HA PRO A 2 -13.363 8.035 1.889 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -13.732 7.718 -0.837 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -15.065 7.485 0.276 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -14.420 9.936 -1.413 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -15.985 9.210 -1.101 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -15.103 11.404 0.299 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -16.189 10.227 1.012 1.00 0.00 H new ATOM 27 N ILE A 3 -11.685 10.268 0.340 1.00 0.00 N ATOM 28 CA ILE A 3 -10.335 10.652 -0.049 1.00 0.00 C ATOM 29 C ILE A 3 -9.533 11.066 1.178 1.00 0.00 C ATOM 30 O ILE A 3 -10.014 11.825 2.023 1.00 0.00 O ATOM 31 CB ILE A 3 -10.399 11.774 -1.094 1.00 0.00 C ATOM 32 CG1 ILE A 3 -8.991 12.244 -1.527 1.00 0.00 C ATOM 33 CG2 ILE A 3 -11.246 12.967 -0.606 1.00 0.00 C ATOM 34 CD1 ILE A 3 -8.315 11.255 -2.464 1.00 0.00 C ATOM 0 H ILE A 3 -12.338 11.050 0.393 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.826 9.800 -0.500 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.891 11.351 -1.970 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.070 13.213 -2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.370 12.386 -0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.265 13.739 -1.376 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -12.263 12.632 -0.403 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -10.809 13.375 0.306 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.329 11.630 -2.739 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.210 10.293 -1.963 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.921 11.132 -3.362 1.00 0.00 H new ATOM 46 N VAL A 4 -8.289 10.616 1.214 1.00 0.00 N ATOM 47 CA VAL A 4 -7.323 10.935 2.250 1.00 0.00 C ATOM 48 C VAL A 4 -5.997 11.397 1.662 1.00 0.00 C ATOM 49 O VAL A 4 -5.828 11.502 0.434 1.00 0.00 O ATOM 50 CB VAL A 4 -7.184 9.739 3.210 1.00 0.00 C ATOM 51 CG1 VAL A 4 -8.403 9.625 4.129 1.00 0.00 C ATOM 52 CG2 VAL A 4 -6.890 8.384 2.558 1.00 0.00 C ATOM 0 H VAL A 4 -7.912 9.997 0.497 1.00 0.00 H new ATOM 0 HA VAL A 4 -7.685 11.782 2.832 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.290 9.973 3.787 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.277 8.772 4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.500 10.536 4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.301 9.486 3.527 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -6.813 7.618 3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -7.697 8.128 1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.950 8.441 2.008 1.00 0.00 H new ATOM 62 N THR A 5 -5.058 11.740 2.541 1.00 0.00 N ATOM 63 CA THR A 5 -3.714 12.146 2.160 1.00 0.00 C ATOM 64 C THR A 5 -2.645 11.719 3.151 1.00 0.00 C ATOM 65 O THR A 5 -2.545 12.259 4.245 1.00 0.00 O ATOM 66 CB THR A 5 -3.607 13.647 1.928 1.00 0.00 C ATOM 67 OG1 THR A 5 -4.290 14.413 2.884 1.00 0.00 O ATOM 68 CG2 THR A 5 -4.243 14.050 0.608 1.00 0.00 C ATOM 0 H THR A 5 -5.214 11.743 3.549 1.00 0.00 H new ATOM 0 HA THR A 5 -3.530 11.622 1.222 1.00 0.00 H new ATOM 0 HB THR A 5 -2.535 13.839 1.966 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.180 15.365 2.679 1.00 0.00 H new ATOM 0 HG21 THR A 5 -4.150 15.128 0.473 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.739 13.537 -0.211 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.298 13.775 0.613 1.00 0.00 H new ATOM 76 N CYS A 6 -1.757 10.824 2.719 1.00 0.00 N ATOM 77 CA CYS A 6 -0.700 10.349 3.601 1.00 0.00 C ATOM 78 C CYS A 6 0.139 11.529 4.126 1.00 0.00 C ATOM 79 O CYS A 6 0.229 12.559 3.454 1.00 0.00 O ATOM 80 CB CYS A 6 0.157 9.342 2.839 1.00 0.00 C ATOM 81 SG CYS A 6 -0.713 8.082 1.870 1.00 0.00 S ATOM 0 H CYS A 6 -1.750 10.422 1.782 1.00 0.00 H new ATOM 0 HA CYS A 6 -1.133 9.856 4.471 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.810 9.896 2.165 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.799 8.832 3.557 1.00 0.00 H new ATOM 86 N ARG A 7 0.867 11.346 5.234 1.00 0.00 N ATOM 87 CA ARG A 7 1.808 12.338 5.797 1.00 0.00 C ATOM 88 C ARG A 7 3.305 11.961 5.677 1.00 0.00 C ATOM 89 O ARG A 7 4.073 12.215 6.591 1.00 0.00 O ATOM 90 CB ARG A 7 1.377 12.648 7.233 1.00 0.00 C ATOM 91 CG ARG A 7 1.527 11.415 8.143 1.00 0.00 C ATOM 92 CD ARG A 7 1.305 11.803 9.592 1.00 0.00 C ATOM 93 NE ARG A 7 -0.106 12.114 9.863 1.00 0.00 N ATOM 94 CZ ARG A 7 -0.544 12.631 10.987 1.00 0.00 C ATOM 95 NH1 ARG A 7 0.271 12.881 11.975 1.00 0.00 N ATOM 96 NH2 ARG A 7 -1.808 12.893 11.144 1.00 0.00 N ATOM 0 H ARG A 7 0.822 10.486 5.781 1.00 0.00 H new ATOM 0 HA ARG A 7 1.746 13.240 5.189 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.978 13.468 7.626 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.340 12.983 7.239 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.809 10.649 7.850 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.521 10.984 8.023 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.629 10.989 10.240 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.921 12.668 9.835 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.788 11.915 9.131 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.265 12.674 11.881 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.086 13.283 12.842 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.467 12.697 10.391 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.141 13.295 12.021 1.00 0.00 H new ATOM 110 N PRO A 8 3.750 11.364 4.559 1.00 0.00 N ATOM 111 CA PRO A 8 5.120 10.930 4.359 1.00 0.00 C ATOM 112 C PRO A 8 6.078 12.116 4.303 1.00 0.00 C ATOM 113 O PRO A 8 5.670 13.265 4.108 1.00 0.00 O ATOM 114 CB PRO A 8 5.113 10.205 3.014 1.00 0.00 C ATOM 115 CG PRO A 8 3.962 10.831 2.253 1.00 0.00 C ATOM 116 CD PRO A 8 3.002 11.177 3.348 1.00 0.00 C ATOM 0 HA PRO A 8 5.458 10.296 5.179 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.057 10.338 2.486 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.968 9.132 3.142 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.276 11.713 1.695 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.525 10.138 1.534 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.451 12.084 3.098 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.267 10.382 3.474 1.00 0.00 H new ATOM 124 N LYS A 9 7.379 11.828 4.346 1.00 0.00 N ATOM 125 CA LYS A 9 8.443 12.827 4.288 1.00 0.00 C ATOM 126 C LYS A 9 9.026 12.963 2.883 1.00 0.00 C ATOM 127 O LYS A 9 9.588 12.037 2.307 1.00 0.00 O ATOM 128 CB LYS A 9 9.519 12.462 5.312 1.00 0.00 C ATOM 129 CG LYS A 9 10.446 13.649 5.579 1.00 0.00 C ATOM 130 CD LYS A 9 11.582 13.226 6.519 1.00 0.00 C ATOM 131 CE LYS A 9 11.084 13.026 7.955 1.00 0.00 C ATOM 132 NZ LYS A 9 10.745 14.319 8.602 1.00 0.00 N ATOM 0 H LYS A 9 7.729 10.873 4.424 1.00 0.00 H new ATOM 0 HA LYS A 9 8.025 13.803 4.535 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.048 12.147 6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.101 11.616 4.947 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.858 14.018 4.640 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.882 14.469 6.023 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.029 12.300 6.156 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.365 13.984 6.508 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.206 12.380 7.949 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.851 12.517 8.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.392 14.489 9.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.838 15.089 7.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.766 14.286 8.953 1.00 0.00 H new ATOM 146 N LEU A 10 8.968 14.165 2.334 1.00 0.00 N ATOM 147 CA LEU A 10 9.559 14.412 1.022 1.00 0.00 C ATOM 148 C LEU A 10 10.971 14.973 1.186 1.00 0.00 C ATOM 149 O LEU A 10 11.957 14.256 1.054 1.00 0.00 O ATOM 150 CB LEU A 10 8.598 15.291 0.215 1.00 0.00 C ATOM 151 CG LEU A 10 8.921 15.390 -1.292 1.00 0.00 C ATOM 152 CD1 LEU A 10 10.391 15.233 -1.678 1.00 0.00 C ATOM 153 CD2 LEU A 10 8.105 14.368 -2.072 1.00 0.00 C ATOM 0 H LEU A 10 8.526 14.976 2.766 1.00 0.00 H new ATOM 0 HA LEU A 10 9.688 13.493 0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.587 14.900 0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 10 8.603 16.295 0.640 1.00 0.00 H new ATOM 0 HG LEU A 10 8.655 16.415 -1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.495 15.321 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.980 16.011 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 10 10.749 14.255 -1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.341 14.447 -3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.346 13.365 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.043 14.559 -1.921 1.00 0.00 H new ATOM 165 N ASP A 11 11.040 16.264 1.502 1.00 0.00 N ATOM 166 CA ASP A 11 12.280 17.047 1.575 1.00 0.00 C ATOM 167 C ASP A 11 12.511 17.522 3.016 1.00 0.00 C ATOM 168 O ASP A 11 12.851 18.662 3.300 1.00 0.00 O ATOM 169 CB ASP A 11 12.242 18.209 0.571 1.00 0.00 C ATOM 170 CG ASP A 11 13.661 18.558 0.112 1.00 0.00 C ATOM 171 OD1 ASP A 11 14.147 17.824 -0.773 1.00 0.00 O ATOM 172 OD2 ASP A 11 14.217 19.544 0.635 1.00 0.00 O ATOM 0 H ASP A 11 10.210 16.815 1.722 1.00 0.00 H new ATOM 0 HA ASP A 11 13.127 16.419 1.297 1.00 0.00 H new ATOM 0 HB2 ASP A 11 11.631 17.936 -0.289 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.776 19.081 1.030 1.00 0.00 H new ATOM 177 N GLY A 12 12.142 16.684 3.984 1.00 0.00 N ATOM 178 CA GLY A 12 12.266 17.017 5.404 1.00 0.00 C ATOM 179 C GLY A 12 10.928 17.281 6.080 1.00 0.00 C ATOM 180 O GLY A 12 10.755 16.903 7.242 1.00 0.00 O ATOM 0 H GLY A 12 11.750 15.759 3.808 1.00 0.00 H new ATOM 0 HA2 GLY A 12 12.770 16.199 5.919 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.899 17.898 5.509 1.00 0.00 H new ATOM 184 N ARG A 13 9.965 17.849 5.345 1.00 0.00 N ATOM 185 CA ARG A 13 8.609 18.114 5.837 1.00 0.00 C ATOM 186 C ARG A 13 7.622 17.030 5.409 1.00 0.00 C ATOM 187 O ARG A 13 7.882 16.298 4.450 1.00 0.00 O ATOM 188 CB ARG A 13 8.158 19.515 5.400 1.00 0.00 C ATOM 189 CG ARG A 13 7.852 19.612 3.893 1.00 0.00 C ATOM 190 CD ARG A 13 6.867 20.744 3.612 1.00 0.00 C ATOM 191 NE ARG A 13 7.533 22.053 3.520 1.00 0.00 N ATOM 192 CZ ARG A 13 6.931 23.185 3.215 1.00 0.00 C ATOM 193 NH1 ARG A 13 5.648 23.229 2.982 1.00 0.00 N ATOM 194 NH2 ARG A 13 7.606 24.293 3.132 1.00 0.00 N ATOM 0 H ARG A 13 10.108 18.141 4.378 1.00 0.00 H new ATOM 0 HA ARG A 13 8.628 18.087 6.927 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.268 19.795 5.964 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.936 20.235 5.653 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.776 19.782 3.340 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.438 18.668 3.540 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.339 20.541 2.680 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.117 20.775 4.402 1.00 0.00 H new ATOM 0 HE ARG A 13 8.535 22.087 3.706 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.091 22.376 3.034 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.202 24.116 2.748 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.611 24.292 3.304 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.130 25.164 2.895 1.00 0.00 H new ATOM 208 N GLU A 14 6.478 16.988 6.078 1.00 0.00 N ATOM 209 CA GLU A 14 5.403 16.051 5.754 1.00 0.00 C ATOM 210 C GLU A 14 4.549 16.595 4.606 1.00 0.00 C ATOM 211 O GLU A 14 3.979 17.687 4.703 1.00 0.00 O ATOM 212 CB GLU A 14 4.537 15.763 6.982 1.00 0.00 C ATOM 213 CG GLU A 14 5.295 14.937 8.032 1.00 0.00 C ATOM 214 CD GLU A 14 4.483 14.844 9.333 1.00 0.00 C ATOM 215 OE1 GLU A 14 4.343 15.908 9.977 1.00 0.00 O ATOM 216 OE2 GLU A 14 3.994 13.754 9.700 1.00 0.00 O ATOM 0 H GLU A 14 6.266 17.603 6.863 1.00 0.00 H new ATOM 0 HA GLU A 14 5.855 15.112 5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.211 16.704 7.426 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.639 15.226 6.676 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.489 13.937 7.645 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.264 15.394 8.233 1.00 0.00 H new ATOM 223 N LYS A 15 4.499 15.870 3.484 1.00 0.00 N ATOM 224 CA LYS A 15 3.692 16.262 2.322 1.00 0.00 C ATOM 225 C LYS A 15 2.438 15.390 2.190 1.00 0.00 C ATOM 226 O LYS A 15 2.580 14.175 2.163 1.00 0.00 O ATOM 227 CB LYS A 15 4.547 16.198 1.054 1.00 0.00 C ATOM 228 CG LYS A 15 3.783 16.702 -0.183 1.00 0.00 C ATOM 229 CD LYS A 15 4.654 16.667 -1.437 1.00 0.00 C ATOM 230 CE LYS A 15 4.601 15.283 -2.089 1.00 0.00 C ATOM 231 NZ LYS A 15 5.483 15.220 -3.280 1.00 0.00 N ATOM 0 H LYS A 15 5.014 14.999 3.355 1.00 0.00 H new ATOM 0 HA LYS A 15 3.353 17.288 2.466 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.447 16.797 1.193 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.871 15.171 0.886 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.896 16.088 -0.338 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.438 17.721 -0.008 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.313 17.422 -2.145 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.684 16.914 -1.179 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.905 14.525 -1.367 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.576 15.053 -2.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.862 14.257 -3.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.937 15.468 -4.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.269 15.891 -3.166 1.00 0.00 H new ATOM 245 N PRO A 16 1.253 15.987 1.959 1.00 0.00 N ATOM 246 CA PRO A 16 -0.009 15.277 1.769 1.00 0.00 C ATOM 247 C PRO A 16 -0.019 14.448 0.479 1.00 0.00 C ATOM 248 O PRO A 16 -0.266 14.973 -0.618 1.00 0.00 O ATOM 249 CB PRO A 16 -1.093 16.349 1.770 1.00 0.00 C ATOM 250 CG PRO A 16 -0.364 17.599 1.293 1.00 0.00 C ATOM 251 CD PRO A 16 1.042 17.420 1.843 1.00 0.00 C ATOM 0 HA PRO A 16 -0.173 14.550 2.565 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.916 16.087 1.105 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.518 16.488 2.764 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.363 17.673 0.206 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.832 18.507 1.674 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.780 17.870 1.179 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.146 17.908 2.812 1.00 0.00 H new ATOM 259 N PHE A 17 0.256 13.150 0.577 1.00 0.00 N ATOM 260 CA PHE A 17 0.271 12.263 -0.579 1.00 0.00 C ATOM 261 C PHE A 17 -1.149 11.881 -0.957 1.00 0.00 C ATOM 262 O PHE A 17 -1.805 11.207 -0.190 1.00 0.00 O ATOM 263 CB PHE A 17 1.105 11.012 -0.301 1.00 0.00 C ATOM 264 CG PHE A 17 1.968 10.628 -1.476 1.00 0.00 C ATOM 265 CD1 PHE A 17 1.404 10.490 -2.756 1.00 0.00 C ATOM 266 CD2 PHE A 17 3.345 10.410 -1.299 1.00 0.00 C ATOM 267 CE1 PHE A 17 2.231 10.160 -3.836 1.00 0.00 C ATOM 268 CE2 PHE A 17 4.160 10.035 -2.373 1.00 0.00 C ATOM 269 CZ PHE A 17 3.601 9.908 -3.651 1.00 0.00 C ATOM 0 H PHE A 17 0.474 12.686 1.459 1.00 0.00 H new ATOM 0 HA PHE A 17 0.731 12.793 -1.413 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.737 11.185 0.570 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.442 10.183 -0.054 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.344 10.637 -2.905 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.781 10.534 -0.319 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.809 10.098 -4.828 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.212 9.845 -2.218 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.219 9.618 -4.488 1.00 0.00 H new ATOM 279 N LYS A 18 -1.652 12.328 -2.108 1.00 0.00 N ATOM 280 CA LYS A 18 -3.006 12.010 -2.602 1.00 0.00 C ATOM 281 C LYS A 18 -3.269 10.509 -2.587 1.00 0.00 C ATOM 282 O LYS A 18 -2.494 9.788 -3.212 1.00 0.00 O ATOM 283 CB LYS A 18 -3.180 12.513 -4.035 1.00 0.00 C ATOM 284 CG LYS A 18 -2.850 14.003 -4.219 1.00 0.00 C ATOM 285 CD LYS A 18 -4.088 14.898 -4.065 1.00 0.00 C ATOM 286 CE LYS A 18 -4.308 15.309 -2.604 1.00 0.00 C ATOM 287 NZ LYS A 18 -3.368 16.383 -2.190 1.00 0.00 N ATOM 0 H LYS A 18 -1.126 12.932 -2.739 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.714 12.504 -1.937 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.542 11.926 -4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.209 12.338 -4.348 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.097 14.299 -3.488 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.414 14.157 -5.206 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.972 15.790 -4.681 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.968 14.369 -4.432 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.334 15.652 -2.473 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.177 14.441 -1.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.182 16.307 -1.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.475 16.283 -2.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.789 17.311 -2.397 1.00 0.00 H new ATOM 301 N VAL A 19 -4.345 10.083 -1.925 1.00 0.00 N ATOM 302 CA VAL A 19 -4.719 8.670 -1.785 1.00 0.00 C ATOM 303 C VAL A 19 -6.217 8.499 -1.580 1.00 0.00 C ATOM 304 O VAL A 19 -6.778 8.938 -0.586 1.00 0.00 O ATOM 305 CB VAL A 19 -3.978 7.991 -0.618 1.00 0.00 C ATOM 306 CG1 VAL A 19 -2.531 7.709 -0.998 1.00 0.00 C ATOM 307 CG2 VAL A 19 -3.967 8.806 0.672 1.00 0.00 C ATOM 0 H VAL A 19 -4.994 10.719 -1.462 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.428 8.190 -2.719 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.533 7.072 -0.430 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.022 7.229 -0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.505 7.050 -1.866 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.029 8.646 -1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.426 8.258 1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.476 9.763 0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.991 8.980 1.001 1.00 0.00 H new ATOM 317 N ASP A 20 -6.914 7.898 -2.528 1.00 0.00 N ATOM 318 CA ASP A 20 -8.345 7.661 -2.400 1.00 0.00 C ATOM 319 C ASP A 20 -8.622 6.224 -1.934 1.00 0.00 C ATOM 320 O ASP A 20 -8.012 5.246 -2.379 1.00 0.00 O ATOM 321 CB ASP A 20 -9.037 8.042 -3.704 1.00 0.00 C ATOM 322 CG ASP A 20 -8.783 7.004 -4.749 1.00 0.00 C ATOM 323 OD1 ASP A 20 -7.596 6.910 -5.142 1.00 0.00 O ATOM 324 OD2 ASP A 20 -9.792 6.321 -5.021 1.00 0.00 O ATOM 0 H ASP A 20 -6.510 7.562 -3.402 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.769 8.297 -1.622 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.109 8.146 -3.538 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.673 9.010 -4.047 1.00 0.00 H new ATOM 329 N VAL A 21 -9.547 6.096 -0.983 1.00 0.00 N ATOM 330 CA VAL A 21 -9.952 4.777 -0.486 1.00 0.00 C ATOM 331 C VAL A 21 -10.565 3.927 -1.588 1.00 0.00 C ATOM 332 O VAL A 21 -10.325 2.726 -1.632 1.00 0.00 O ATOM 333 CB VAL A 21 -10.947 4.886 0.671 1.00 0.00 C ATOM 334 CG1 VAL A 21 -12.277 5.524 0.235 1.00 0.00 C ATOM 335 CG2 VAL A 21 -11.245 3.516 1.295 1.00 0.00 C ATOM 0 H VAL A 21 -10.028 6.881 -0.543 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.043 4.295 -0.127 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.469 5.528 1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.951 5.580 1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -12.091 6.528 -0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.733 4.917 -0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.955 3.636 2.113 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.670 2.856 0.539 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.321 3.082 1.677 1.00 0.00 H new ATOM 345 N ALA A 22 -11.372 4.533 -2.464 1.00 0.00 N ATOM 346 CA ALA A 22 -12.052 3.852 -3.555 1.00 0.00 C ATOM 347 C ALA A 22 -11.060 3.023 -4.372 1.00 0.00 C ATOM 348 O ALA A 22 -11.304 1.841 -4.606 1.00 0.00 O ATOM 349 CB ALA A 22 -12.790 4.874 -4.432 1.00 0.00 C ATOM 0 H ALA A 22 -11.571 5.533 -2.428 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.790 3.165 -3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.296 4.356 -5.246 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.525 5.408 -3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.073 5.585 -4.844 1.00 0.00 H new ATOM 355 N THR A 23 -9.913 3.605 -4.714 1.00 0.00 N ATOM 356 CA THR A 23 -8.853 2.939 -5.455 1.00 0.00 C ATOM 357 C THR A 23 -8.189 1.915 -4.568 1.00 0.00 C ATOM 358 O THR A 23 -8.061 0.765 -4.980 1.00 0.00 O ATOM 359 CB THR A 23 -7.808 3.925 -5.978 1.00 0.00 C ATOM 360 OG1 THR A 23 -8.434 4.758 -6.922 1.00 0.00 O ATOM 361 CG2 THR A 23 -6.660 3.243 -6.719 1.00 0.00 C ATOM 0 H THR A 23 -9.693 4.573 -4.477 1.00 0.00 H new ATOM 0 HA THR A 23 -9.305 2.454 -6.320 1.00 0.00 H new ATOM 0 HB THR A 23 -7.408 4.455 -5.113 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.099 5.320 -6.472 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.952 3.996 -7.065 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.153 2.551 -6.047 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.054 2.695 -7.575 1.00 0.00 H new ATOM 369 N ALA A 24 -7.795 2.287 -3.346 1.00 0.00 N ATOM 370 CA ALA A 24 -7.138 1.371 -2.424 1.00 0.00 C ATOM 371 C ALA A 24 -7.937 0.093 -2.193 1.00 0.00 C ATOM 372 O ALA A 24 -7.381 -0.995 -2.207 1.00 0.00 O ATOM 373 CB ALA A 24 -6.883 2.068 -1.100 1.00 0.00 C ATOM 0 H ALA A 24 -7.924 3.228 -2.975 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.193 1.078 -2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.391 1.378 -0.414 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.243 2.935 -1.263 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.831 2.392 -0.671 1.00 0.00 H new ATOM 379 N GLN A 25 -9.238 0.205 -1.980 1.00 0.00 N ATOM 380 CA GLN A 25 -10.124 -0.934 -1.813 1.00 0.00 C ATOM 381 C GLN A 25 -10.341 -1.691 -3.123 1.00 0.00 C ATOM 382 O GLN A 25 -10.283 -2.925 -3.133 1.00 0.00 O ATOM 383 CB GLN A 25 -11.450 -0.429 -1.255 1.00 0.00 C ATOM 384 CG GLN A 25 -12.423 -1.595 -1.026 1.00 0.00 C ATOM 385 CD GLN A 25 -13.412 -1.293 0.085 1.00 0.00 C ATOM 386 OE1 GLN A 25 -14.613 -1.319 -0.101 1.00 0.00 O ATOM 387 NE2 GLN A 25 -12.933 -1.025 1.280 1.00 0.00 N ATOM 0 H GLN A 25 -9.715 1.104 -1.917 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.666 -1.641 -1.122 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.278 0.097 -0.316 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.891 0.289 -1.947 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.965 -1.803 -1.949 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.860 -2.495 -0.777 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.925 -1.004 1.432 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.570 -0.838 2.055 1.00 0.00 H new ATOM 396 N ALA A 26 -10.583 -0.955 -4.213 1.00 0.00 N ATOM 397 CA ALA A 26 -10.779 -1.532 -5.535 1.00 0.00 C ATOM 398 C ALA A 26 -9.606 -2.433 -5.903 1.00 0.00 C ATOM 399 O ALA A 26 -9.822 -3.603 -6.206 1.00 0.00 O ATOM 400 CB ALA A 26 -10.976 -0.435 -6.585 1.00 0.00 C ATOM 0 H ALA A 26 -10.648 0.063 -4.196 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.683 -2.140 -5.513 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.120 -0.891 -7.565 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.852 0.161 -6.329 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.096 0.207 -6.610 1.00 0.00 H new ATOM 406 N GLN A 27 -8.378 -1.921 -5.819 1.00 0.00 N ATOM 407 CA GLN A 27 -7.170 -2.677 -6.131 1.00 0.00 C ATOM 408 C GLN A 27 -6.986 -3.864 -5.183 1.00 0.00 C ATOM 409 O GLN A 27 -6.736 -4.971 -5.643 1.00 0.00 O ATOM 410 CB GLN A 27 -5.937 -1.775 -6.129 1.00 0.00 C ATOM 411 CG GLN A 27 -5.556 -1.314 -4.730 1.00 0.00 C ATOM 412 CD GLN A 27 -4.430 -0.331 -4.701 1.00 0.00 C ATOM 413 OE1 GLN A 27 -3.932 0.112 -5.707 1.00 0.00 O ATOM 414 NE2 GLN A 27 -4.028 0.057 -3.517 1.00 0.00 N ATOM 0 H GLN A 27 -8.195 -0.960 -5.529 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.290 -3.078 -7.137 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.098 -2.311 -6.573 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.127 -0.904 -6.756 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.429 -0.866 -4.256 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.281 -2.184 -4.134 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.462 -0.330 -2.679 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.281 0.746 -3.433 1.00 0.00 H new ATOM 423 N ALA A 28 -7.151 -3.667 -3.868 1.00 0.00 N ATOM 424 CA ALA A 28 -6.935 -4.707 -2.868 1.00 0.00 C ATOM 425 C ALA A 28 -7.788 -5.931 -3.179 1.00 0.00 C ATOM 426 O ALA A 28 -7.299 -7.059 -3.233 1.00 0.00 O ATOM 427 CB ALA A 28 -7.304 -4.175 -1.484 1.00 0.00 C ATOM 0 H ALA A 28 -7.440 -2.773 -3.471 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.883 -4.993 -2.886 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.142 -4.954 -0.739 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.681 -3.312 -1.248 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.353 -3.879 -1.476 1.00 0.00 H new ATOM 433 N ARG A 29 -9.084 -5.688 -3.416 1.00 0.00 N ATOM 434 CA ARG A 29 -10.015 -6.743 -3.805 1.00 0.00 C ATOM 435 C ARG A 29 -9.722 -7.262 -5.211 1.00 0.00 C ATOM 436 O ARG A 29 -9.908 -8.446 -5.470 1.00 0.00 O ATOM 437 CB ARG A 29 -11.441 -6.201 -3.718 1.00 0.00 C ATOM 438 CG ARG A 29 -12.475 -7.330 -3.852 1.00 0.00 C ATOM 439 CD ARG A 29 -13.748 -6.780 -4.479 1.00 0.00 C ATOM 440 NE ARG A 29 -14.831 -7.777 -4.461 1.00 0.00 N ATOM 441 CZ ARG A 29 -15.867 -7.792 -5.275 1.00 0.00 C ATOM 442 NH1 ARG A 29 -16.003 -6.887 -6.207 1.00 0.00 N ATOM 443 NH2 ARG A 29 -16.787 -8.705 -5.165 1.00 0.00 N ATOM 0 H ARG A 29 -9.508 -4.763 -3.343 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.897 -7.585 -3.123 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.580 -5.688 -2.766 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.601 -5.463 -4.504 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.073 -8.135 -4.467 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -12.694 -7.756 -2.873 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.065 -5.887 -3.940 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -13.548 -6.477 -5.507 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.775 -8.517 -3.761 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -15.301 -6.154 -6.313 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -16.811 -6.913 -6.829 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.711 -9.421 -4.442 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.584 -8.705 -5.802 1.00 0.00 H new ATOM 457 N LYS A 30 -9.295 -6.386 -6.126 1.00 0.00 N ATOM 458 CA LYS A 30 -8.957 -6.742 -7.509 1.00 0.00 C ATOM 459 C LYS A 30 -7.831 -7.764 -7.562 1.00 0.00 C ATOM 460 O LYS A 30 -7.916 -8.716 -8.336 1.00 0.00 O ATOM 461 CB LYS A 30 -8.575 -5.486 -8.315 1.00 0.00 C ATOM 462 CG LYS A 30 -8.235 -5.769 -9.777 1.00 0.00 C ATOM 463 CD LYS A 30 -9.476 -6.265 -10.522 1.00 0.00 C ATOM 464 CE LYS A 30 -9.227 -6.282 -12.028 1.00 0.00 C ATOM 465 NZ LYS A 30 -9.325 -4.920 -12.617 1.00 0.00 N ATOM 0 H LYS A 30 -9.172 -5.394 -5.924 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.842 -7.193 -7.958 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.401 -4.776 -8.275 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.719 -5.007 -7.839 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.855 -4.864 -10.251 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.444 -6.516 -9.836 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.736 -7.267 -10.180 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.325 -5.620 -10.295 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.238 -6.695 -12.229 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.951 -6.940 -12.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.201 -4.978 -13.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.259 -4.516 -12.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.584 -4.313 -12.212 1.00 0.00 H new ATOM 479 N ALA A 31 -6.766 -7.522 -6.805 1.00 0.00 N ATOM 480 CA ALA A 31 -5.624 -8.413 -6.711 1.00 0.00 C ATOM 481 C ALA A 31 -5.961 -9.669 -5.905 1.00 0.00 C ATOM 482 O ALA A 31 -5.554 -10.768 -6.287 1.00 0.00 O ATOM 483 CB ALA A 31 -4.446 -7.646 -6.101 1.00 0.00 C ATOM 0 H ALA A 31 -6.674 -6.684 -6.230 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.348 -8.753 -7.709 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.582 -8.306 -6.026 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.198 -6.795 -6.735 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.719 -7.290 -5.107 1.00 0.00 H new ATOM 489 N GLY A 32 -6.712 -9.513 -4.812 1.00 0.00 N ATOM 490 CA GLY A 32 -7.072 -10.626 -3.943 1.00 0.00 C ATOM 491 C GLY A 32 -5.940 -11.000 -2.996 1.00 0.00 C ATOM 492 O GLY A 32 -5.016 -10.230 -2.760 1.00 0.00 O ATOM 0 H GLY A 32 -7.084 -8.613 -4.509 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.957 -10.362 -3.364 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.336 -11.491 -4.552 1.00 0.00 H new ATOM 496 N LEU A 33 -6.028 -12.191 -2.409 1.00 0.00 N ATOM 497 CA LEU A 33 -5.070 -12.710 -1.425 1.00 0.00 C ATOM 498 C LEU A 33 -4.245 -13.856 -2.029 1.00 0.00 C ATOM 499 O LEU A 33 -4.006 -14.891 -1.403 1.00 0.00 O ATOM 500 CB LEU A 33 -5.788 -13.169 -0.150 1.00 0.00 C ATOM 501 CG LEU A 33 -6.997 -12.353 0.288 1.00 0.00 C ATOM 502 CD1 LEU A 33 -7.778 -13.162 1.301 1.00 0.00 C ATOM 503 CD2 LEU A 33 -6.617 -11.011 0.901 1.00 0.00 C ATOM 0 H LEU A 33 -6.787 -12.843 -2.607 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.389 -11.903 -1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.108 -14.201 -0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.065 -13.170 0.666 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.593 -12.139 -0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.649 -12.594 1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.105 -14.097 0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.144 -13.379 2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.520 -10.476 1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.993 -11.176 1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.066 -10.420 0.170 1.00 0.00 H new ATOM 515 N THR A 34 -3.906 -13.736 -3.309 1.00 0.00 N ATOM 516 CA THR A 34 -3.184 -14.780 -4.030 1.00 0.00 C ATOM 517 C THR A 34 -2.303 -14.163 -5.101 1.00 0.00 C ATOM 518 O THR A 34 -2.788 -13.575 -6.071 1.00 0.00 O ATOM 519 CB THR A 34 -4.138 -15.800 -4.662 1.00 0.00 C ATOM 520 OG1 THR A 34 -4.974 -16.385 -3.692 1.00 0.00 O ATOM 521 CG2 THR A 34 -3.344 -16.933 -5.310 1.00 0.00 C ATOM 0 H THR A 34 -4.123 -12.915 -3.874 1.00 0.00 H new ATOM 0 HA THR A 34 -2.563 -15.309 -3.307 1.00 0.00 H new ATOM 0 HB THR A 34 -4.735 -15.264 -5.400 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.573 -17.030 -4.123 1.00 0.00 H new ATOM 0 HG21 THR A 34 -4.032 -17.651 -5.755 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.694 -16.525 -6.084 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.738 -17.432 -4.553 1.00 0.00 H new ATOM 529 N THR A 35 -0.995 -14.324 -4.942 1.00 0.00 N ATOM 530 CA THR A 35 -0.003 -13.862 -5.906 1.00 0.00 C ATOM 531 C THR A 35 0.909 -14.986 -6.357 1.00 0.00 C ATOM 532 O THR A 35 0.901 -16.069 -5.780 1.00 0.00 O ATOM 533 CB THR A 35 0.818 -12.736 -5.302 1.00 0.00 C ATOM 534 OG1 THR A 35 1.484 -12.071 -6.341 1.00 0.00 O ATOM 535 CG2 THR A 35 1.864 -13.222 -4.283 1.00 0.00 C ATOM 0 H THR A 35 -0.588 -14.785 -4.129 1.00 0.00 H new ATOM 0 HA THR A 35 -0.536 -13.497 -6.784 1.00 0.00 H new ATOM 0 HB THR A 35 0.129 -12.082 -4.767 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.452 -12.123 -6.195 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.415 -12.367 -3.891 1.00 0.00 H new ATOM 0 HG22 THR A 35 1.362 -13.737 -3.464 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.557 -13.907 -4.772 1.00 0.00 H new ATOM 543 N GLY A 36 1.726 -14.699 -7.363 1.00 0.00 N ATOM 544 CA GLY A 36 2.749 -15.623 -7.842 1.00 0.00 C ATOM 545 C GLY A 36 3.070 -15.439 -9.315 1.00 0.00 C ATOM 546 O GLY A 36 4.167 -15.755 -9.748 1.00 0.00 O ATOM 0 H GLY A 36 1.698 -13.816 -7.872 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.658 -15.485 -7.257 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.414 -16.647 -7.674 1.00 0.00 H new ATOM 550 N LYS A 37 2.121 -14.880 -10.075 1.00 0.00 N ATOM 551 CA LYS A 37 2.295 -14.563 -11.496 1.00 0.00 C ATOM 552 C LYS A 37 3.453 -13.591 -11.728 1.00 0.00 C ATOM 553 O LYS A 37 4.178 -13.715 -12.703 1.00 0.00 O ATOM 554 CB LYS A 37 0.990 -14.027 -12.106 1.00 0.00 C ATOM 555 CG LYS A 37 0.335 -12.904 -11.287 1.00 0.00 C ATOM 556 CD LYS A 37 -0.724 -13.399 -10.297 1.00 0.00 C ATOM 557 CE LYS A 37 -2.118 -13.210 -10.894 1.00 0.00 C ATOM 558 NZ LYS A 37 -3.152 -13.241 -9.828 1.00 0.00 N ATOM 0 H LYS A 37 1.199 -14.632 -9.715 1.00 0.00 H new ATOM 0 HA LYS A 37 2.550 -15.493 -12.005 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.195 -13.658 -13.111 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.283 -14.850 -12.207 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.109 -12.368 -10.739 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.125 -12.190 -11.970 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.556 -14.451 -10.067 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.643 -12.850 -9.359 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.166 -12.260 -11.427 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.317 -13.995 -11.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.092 -13.111 -10.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.117 -14.157 -9.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.971 -12.476 -9.147 1.00 0.00 H new ATOM 572 N SER A 38 3.604 -12.611 -10.838 1.00 0.00 N ATOM 573 CA SER A 38 4.644 -11.594 -10.906 1.00 0.00 C ATOM 574 C SER A 38 5.289 -11.318 -9.559 1.00 0.00 C ATOM 575 O SER A 38 6.463 -11.602 -9.350 1.00 0.00 O ATOM 576 CB SER A 38 4.047 -10.322 -11.460 1.00 0.00 C ATOM 577 OG SER A 38 2.962 -9.848 -10.670 1.00 0.00 O ATOM 0 H SER A 38 2.990 -12.503 -10.031 1.00 0.00 H new ATOM 0 HA SER A 38 5.432 -11.969 -11.559 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.818 -9.554 -11.513 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.702 -10.498 -12.479 1.00 0.00 H new ATOM 0 HG SER A 38 2.209 -9.618 -11.253 1.00 0.00 H new ATOM 583 N GLY A 39 4.522 -10.739 -8.644 1.00 0.00 N ATOM 584 CA GLY A 39 4.981 -10.373 -7.325 1.00 0.00 C ATOM 585 C GLY A 39 3.877 -9.799 -6.464 1.00 0.00 C ATOM 586 O GLY A 39 3.956 -9.942 -5.249 1.00 0.00 O ATOM 0 H GLY A 39 3.542 -10.509 -8.810 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.401 -11.251 -6.834 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.785 -9.642 -7.414 1.00 0.00 H new ATOM 590 N ASP A 40 2.856 -9.196 -7.076 1.00 0.00 N ATOM 591 CA ASP A 40 1.793 -8.492 -6.379 1.00 0.00 C ATOM 592 C ASP A 40 0.442 -9.195 -6.613 1.00 0.00 C ATOM 593 O ASP A 40 0.182 -9.719 -7.703 1.00 0.00 O ATOM 594 CB ASP A 40 1.711 -6.999 -6.728 1.00 0.00 C ATOM 595 CG ASP A 40 3.071 -6.310 -6.911 1.00 0.00 C ATOM 596 OD1 ASP A 40 3.912 -6.764 -7.718 1.00 0.00 O ATOM 597 OD2 ASP A 40 3.337 -5.327 -6.189 1.00 0.00 O ATOM 0 H ASP A 40 2.748 -9.187 -8.090 1.00 0.00 H new ATOM 0 HA ASP A 40 2.038 -8.531 -5.318 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.134 -6.885 -7.646 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.161 -6.485 -5.940 1.00 0.00 H new ATOM 602 N PRO A 41 -0.422 -9.229 -5.588 1.00 0.00 N ATOM 603 CA PRO A 41 -0.190 -8.664 -4.252 1.00 0.00 C ATOM 604 C PRO A 41 0.880 -9.391 -3.458 1.00 0.00 C ATOM 605 O PRO A 41 1.415 -10.373 -3.922 1.00 0.00 O ATOM 606 CB PRO A 41 -1.528 -8.766 -3.558 1.00 0.00 C ATOM 607 CG PRO A 41 -2.199 -9.960 -4.222 1.00 0.00 C ATOM 608 CD PRO A 41 -1.699 -9.910 -5.657 1.00 0.00 C ATOM 0 HA PRO A 41 0.182 -7.642 -4.332 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.410 -8.920 -2.485 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.115 -7.856 -3.687 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.923 -10.895 -3.735 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.285 -9.885 -4.175 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.589 -10.912 -6.071 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.398 -9.374 -6.299 1.00 0.00 H new ATOM 616 N HIS A 42 1.244 -8.908 -2.282 1.00 0.00 N ATOM 617 CA HIS A 42 2.284 -9.552 -1.466 1.00 0.00 C ATOM 618 C HIS A 42 1.694 -9.980 -0.136 1.00 0.00 C ATOM 619 O HIS A 42 0.746 -9.361 0.332 1.00 0.00 O ATOM 620 CB HIS A 42 3.471 -8.617 -1.232 1.00 0.00 C ATOM 621 CG HIS A 42 3.696 -7.583 -2.299 1.00 0.00 C ATOM 622 ND1 HIS A 42 3.049 -6.370 -2.357 1.00 0.00 N ATOM 623 CD2 HIS A 42 4.506 -7.696 -3.390 1.00 0.00 C ATOM 624 CE1 HIS A 42 3.503 -5.720 -3.435 1.00 0.00 C ATOM 625 NE2 HIS A 42 4.376 -6.511 -4.086 1.00 0.00 N ATOM 0 H HIS A 42 0.840 -8.071 -1.862 1.00 0.00 H new ATOM 0 HA HIS A 42 2.648 -10.425 -2.007 1.00 0.00 H new ATOM 0 HB2 HIS A 42 3.328 -8.107 -0.280 1.00 0.00 H new ATOM 0 HB3 HIS A 42 4.374 -9.220 -1.138 1.00 0.00 H new ATOM 0 HD1 HIS A 42 2.350 -6.028 -1.698 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.124 -8.541 -3.656 1.00 0.00 H new ATOM 0 HE1 HIS A 42 3.216 -4.723 -3.734 1.00 0.00 H new ATOM 634 N ARG A 43 2.278 -10.995 0.492 1.00 0.00 N ATOM 635 CA ARG A 43 1.840 -11.490 1.799 1.00 0.00 C ATOM 636 C ARG A 43 2.373 -10.597 2.908 1.00 0.00 C ATOM 637 O ARG A 43 3.556 -10.677 3.210 1.00 0.00 O ATOM 638 CB ARG A 43 2.347 -12.924 1.990 1.00 0.00 C ATOM 639 CG ARG A 43 1.364 -13.937 1.409 1.00 0.00 C ATOM 640 CD ARG A 43 0.159 -14.175 2.337 1.00 0.00 C ATOM 641 NE ARG A 43 0.560 -14.625 3.674 1.00 0.00 N ATOM 642 CZ ARG A 43 1.084 -15.796 3.973 1.00 0.00 C ATOM 643 NH1 ARG A 43 1.253 -16.712 3.060 1.00 0.00 N ATOM 644 NH2 ARG A 43 1.457 -16.057 5.190 1.00 0.00 N ATOM 0 H ARG A 43 3.075 -11.503 0.108 1.00 0.00 H new ATOM 0 HA ARG A 43 0.751 -11.479 1.842 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.318 -13.037 1.508 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.494 -13.123 3.052 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.010 -13.584 0.440 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.879 -14.882 1.235 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.416 -13.253 2.425 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.499 -14.919 1.889 1.00 0.00 H new ATOM 0 HE ARG A 43 0.420 -13.971 4.444 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.978 -16.527 2.095 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.660 -17.613 3.311 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.345 -15.353 5.920 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.862 -16.966 5.416 1.00 0.00 H new ATOM 658 N TYR A 44 1.499 -9.811 3.518 1.00 0.00 N ATOM 659 CA TYR A 44 1.834 -8.996 4.679 1.00 0.00 C ATOM 660 C TYR A 44 1.750 -9.868 5.937 1.00 0.00 C ATOM 661 O TYR A 44 0.669 -10.280 6.367 1.00 0.00 O ATOM 662 CB TYR A 44 0.902 -7.788 4.739 1.00 0.00 C ATOM 663 CG TYR A 44 1.247 -6.766 5.804 1.00 0.00 C ATOM 664 CD1 TYR A 44 1.245 -7.094 7.177 1.00 0.00 C ATOM 665 CD2 TYR A 44 1.597 -5.467 5.405 1.00 0.00 C ATOM 666 CE1 TYR A 44 1.620 -6.144 8.140 1.00 0.00 C ATOM 667 CE2 TYR A 44 1.956 -4.506 6.365 1.00 0.00 C ATOM 668 CZ TYR A 44 1.950 -4.834 7.732 1.00 0.00 C ATOM 669 OH TYR A 44 2.101 -3.854 8.660 1.00 0.00 O ATOM 0 H TYR A 44 0.528 -9.719 3.219 1.00 0.00 H new ATOM 0 HA TYR A 44 2.852 -8.613 4.607 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.908 -7.294 3.767 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.115 -8.141 4.911 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.952 -8.085 7.490 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.590 -5.205 4.357 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.656 -6.414 9.185 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.238 -3.512 6.052 1.00 0.00 H new ATOM 0 HH TYR A 44 2.421 -4.245 9.500 1.00 0.00 H new ATOM 679 N PHE A 45 2.889 -10.204 6.518 1.00 0.00 N ATOM 680 CA PHE A 45 2.971 -10.901 7.801 1.00 0.00 C ATOM 681 C PHE A 45 3.427 -9.941 8.894 1.00 0.00 C ATOM 682 O PHE A 45 4.239 -9.062 8.632 1.00 0.00 O ATOM 683 CB PHE A 45 3.929 -12.086 7.662 1.00 0.00 C ATOM 684 CG PHE A 45 5.283 -11.734 7.074 1.00 0.00 C ATOM 685 CD1 PHE A 45 5.472 -11.772 5.680 1.00 0.00 C ATOM 686 CD2 PHE A 45 6.339 -11.331 7.910 1.00 0.00 C ATOM 687 CE1 PHE A 45 6.712 -11.420 5.123 1.00 0.00 C ATOM 688 CE2 PHE A 45 7.583 -10.986 7.355 1.00 0.00 C ATOM 689 CZ PHE A 45 7.770 -11.030 5.962 1.00 0.00 C ATOM 0 H PHE A 45 3.801 -9.999 6.109 1.00 0.00 H new ATOM 0 HA PHE A 45 1.988 -11.276 8.085 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.079 -12.533 8.645 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.460 -12.844 7.035 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.659 -12.073 5.036 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.194 -11.287 8.979 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.852 -11.449 4.053 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.397 -10.687 7.999 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.727 -10.764 5.537 1.00 0.00 H new ATOM 699 N ALA A 46 2.908 -10.114 10.113 1.00 0.00 N ATOM 700 CA ALA A 46 3.262 -9.311 11.281 1.00 0.00 C ATOM 701 C ALA A 46 4.778 -9.081 11.392 1.00 0.00 C ATOM 702 O ALA A 46 5.535 -9.955 11.819 1.00 0.00 O ATOM 703 CB ALA A 46 2.743 -9.980 12.550 1.00 0.00 C ATOM 0 H ALA A 46 2.214 -10.833 10.317 1.00 0.00 H new ATOM 0 HA ALA A 46 2.792 -8.335 11.159 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.011 -9.375 13.416 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.658 -10.074 12.495 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.188 -10.970 12.647 1.00 0.00 H new ATOM 709 N GLY A 47 5.223 -7.897 10.989 1.00 0.00 N ATOM 710 CA GLY A 47 6.643 -7.582 10.913 1.00 0.00 C ATOM 711 C GLY A 47 6.897 -6.091 11.013 1.00 0.00 C ATOM 712 O GLY A 47 7.748 -5.642 11.790 1.00 0.00 O ATOM 0 H GLY A 47 4.612 -7.131 10.707 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.172 -8.095 11.716 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.048 -7.957 9.973 1.00 0.00 H new ATOM 716 N ASP A 48 6.126 -5.305 10.268 1.00 0.00 N ATOM 717 CA ASP A 48 6.255 -3.863 10.293 1.00 0.00 C ATOM 718 C ASP A 48 5.693 -3.322 11.608 1.00 0.00 C ATOM 719 O ASP A 48 4.615 -3.706 12.064 1.00 0.00 O ATOM 720 CB ASP A 48 5.535 -3.237 9.102 1.00 0.00 C ATOM 721 CG ASP A 48 5.892 -3.898 7.782 1.00 0.00 C ATOM 722 OD1 ASP A 48 5.239 -4.917 7.479 1.00 0.00 O ATOM 723 OD2 ASP A 48 6.813 -3.358 7.131 1.00 0.00 O ATOM 0 H ASP A 48 5.403 -5.651 9.638 1.00 0.00 H new ATOM 0 HA ASP A 48 7.310 -3.600 10.222 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.458 -3.306 9.258 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.783 -2.177 9.050 1.00 0.00 H new ATOM 728 N HIS A 49 6.402 -2.372 12.222 1.00 0.00 N ATOM 729 CA HIS A 49 5.983 -1.701 13.463 1.00 0.00 C ATOM 730 C HIS A 49 4.831 -0.709 13.239 1.00 0.00 C ATOM 731 O HIS A 49 4.930 0.474 13.582 1.00 0.00 O ATOM 732 CB HIS A 49 7.193 -1.027 14.130 1.00 0.00 C ATOM 733 CG HIS A 49 8.067 -1.983 14.890 1.00 0.00 C ATOM 734 ND1 HIS A 49 7.762 -2.506 16.130 1.00 0.00 N ATOM 735 CD2 HIS A 49 9.286 -2.462 14.503 1.00 0.00 C ATOM 736 CE1 HIS A 49 8.788 -3.297 16.502 1.00 0.00 C ATOM 737 NE2 HIS A 49 9.724 -3.285 15.528 1.00 0.00 N ATOM 0 H HIS A 49 7.299 -2.039 11.868 1.00 0.00 H new ATOM 0 HA HIS A 49 5.592 -2.463 14.137 1.00 0.00 H new ATOM 0 HB2 HIS A 49 7.790 -0.531 13.365 1.00 0.00 H new ATOM 0 HB3 HIS A 49 6.838 -0.252 14.810 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.805 -2.243 13.582 1.00 0.00 H new ATOM 0 HE1 HIS A 49 8.851 -3.850 17.427 1.00 0.00 H new ATOM 0 HE2 HIS A 49 10.606 -3.797 15.544 1.00 0.00 H new ATOM 746 N ILE A 50 3.723 -1.177 12.679 1.00 0.00 N ATOM 747 CA ILE A 50 2.551 -0.372 12.349 1.00 0.00 C ATOM 748 C ILE A 50 1.377 -0.791 13.227 1.00 0.00 C ATOM 749 O ILE A 50 1.320 -1.913 13.706 1.00 0.00 O ATOM 750 CB ILE A 50 2.196 -0.484 10.852 1.00 0.00 C ATOM 751 CG1 ILE A 50 3.444 -0.549 9.968 1.00 0.00 C ATOM 752 CG2 ILE A 50 1.355 0.726 10.482 1.00 0.00 C ATOM 753 CD1 ILE A 50 3.156 -0.465 8.470 1.00 0.00 C ATOM 0 H ILE A 50 3.610 -2.161 12.433 1.00 0.00 H new ATOM 0 HA ILE A 50 2.781 0.675 12.545 1.00 0.00 H new ATOM 0 HB ILE A 50 1.645 -1.410 10.685 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.114 0.266 10.244 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.973 -1.480 10.173 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.088 0.675 9.426 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.448 0.737 11.086 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.925 1.636 10.668 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.093 -0.518 7.916 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.513 -1.295 8.176 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.656 0.478 8.248 1.00 0.00 H new ATOM 765 N ARG A 51 0.427 0.125 13.446 1.00 0.00 N ATOM 766 CA ARG A 51 -0.780 -0.074 14.214 1.00 0.00 C ATOM 767 C ARG A 51 -1.952 0.538 13.452 1.00 0.00 C ATOM 768 O ARG A 51 -2.084 1.745 13.272 1.00 0.00 O ATOM 769 CB ARG A 51 -0.577 0.462 15.637 1.00 0.00 C ATOM 770 CG ARG A 51 -1.081 1.886 15.865 1.00 0.00 C ATOM 771 CD ARG A 51 -0.308 2.930 15.045 1.00 0.00 C ATOM 772 NE ARG A 51 1.006 3.255 15.607 1.00 0.00 N ATOM 773 CZ ARG A 51 1.628 4.407 15.471 1.00 0.00 C ATOM 774 NH1 ARG A 51 1.130 5.365 14.732 1.00 0.00 N ATOM 775 NH2 ARG A 51 2.775 4.596 16.047 1.00 0.00 N ATOM 0 H ARG A 51 0.495 1.070 13.067 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.018 -1.131 14.337 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.083 -0.204 16.336 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.486 0.426 15.875 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.139 1.938 15.606 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.000 2.130 16.924 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.178 2.559 14.028 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.902 3.841 14.979 1.00 0.00 H new ATOM 0 HE ARG A 51 1.477 2.529 16.148 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.243 5.227 14.248 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.629 6.250 14.640 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.194 3.852 16.605 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.258 5.488 15.942 1.00 0.00 H new ATOM 789 N TRP A 52 -2.785 -0.307 12.941 1.00 0.00 N ATOM 790 CA TRP A 52 -4.020 0.159 12.300 1.00 0.00 C ATOM 791 C TRP A 52 -5.159 0.352 13.307 1.00 0.00 C ATOM 792 O TRP A 52 -6.275 0.679 12.927 1.00 0.00 O ATOM 793 CB TRP A 52 -4.399 -0.828 11.225 1.00 0.00 C ATOM 794 CG TRP A 52 -3.256 -1.265 10.365 1.00 0.00 C ATOM 795 CD1 TRP A 52 -2.387 -2.271 10.627 1.00 0.00 C ATOM 796 CD2 TRP A 52 -2.816 -0.663 9.122 1.00 0.00 C ATOM 797 NE1 TRP A 52 -1.436 -2.325 9.624 1.00 0.00 N ATOM 798 CE2 TRP A 52 -1.664 -1.363 8.666 1.00 0.00 C ATOM 799 CE3 TRP A 52 -3.269 0.421 8.347 1.00 0.00 C ATOM 800 CZ2 TRP A 52 -1.010 -1.025 7.477 1.00 0.00 C ATOM 801 CZ3 TRP A 52 -2.618 0.775 7.161 1.00 0.00 C ATOM 802 CH2 TRP A 52 -1.512 0.044 6.714 1.00 0.00 C ATOM 0 H TRP A 52 -2.656 -1.319 12.942 1.00 0.00 H new ATOM 0 HA TRP A 52 -3.843 1.140 11.859 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -4.843 -1.706 11.694 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -5.166 -0.382 10.592 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -2.430 -2.927 11.484 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.665 -2.992 9.598 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -4.130 0.986 8.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.138 -1.573 7.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -2.971 1.618 6.586 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.041 0.302 5.777 1.00 0.00 H new ATOM 813 N GLY A 53 -4.901 0.085 14.594 1.00 0.00 N ATOM 814 CA GLY A 53 -5.907 0.118 15.660 1.00 0.00 C ATOM 815 C GLY A 53 -6.865 -1.079 15.648 1.00 0.00 C ATOM 816 O GLY A 53 -7.513 -1.364 16.651 1.00 0.00 O ATOM 0 H GLY A 53 -3.970 -0.164 14.928 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.399 0.155 16.624 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.487 1.036 15.570 1.00 0.00 H new ATOM 820 N VAL A 54 -6.956 -1.790 14.521 1.00 0.00 N ATOM 821 CA VAL A 54 -7.790 -2.976 14.375 1.00 0.00 C ATOM 822 C VAL A 54 -7.093 -4.206 14.948 1.00 0.00 C ATOM 823 O VAL A 54 -5.923 -4.448 14.675 1.00 0.00 O ATOM 824 CB VAL A 54 -8.163 -3.189 12.900 1.00 0.00 C ATOM 825 CG1 VAL A 54 -6.970 -3.568 12.020 1.00 0.00 C ATOM 826 CG2 VAL A 54 -9.261 -4.254 12.798 1.00 0.00 C ATOM 0 H VAL A 54 -6.442 -1.550 13.673 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.709 -2.823 14.941 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.527 -2.234 12.522 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.305 -3.703 10.992 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.224 -2.774 12.057 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.530 -4.497 12.383 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.525 -4.405 11.751 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.899 -5.192 13.220 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.141 -3.924 13.350 1.00 0.00 H new ATOM 836 N ASN A 55 -7.842 -5.051 15.655 1.00 0.00 N ATOM 837 CA ASN A 55 -7.307 -6.295 16.214 1.00 0.00 C ATOM 838 C ASN A 55 -6.885 -7.292 15.120 1.00 0.00 C ATOM 839 O ASN A 55 -5.875 -7.984 15.236 1.00 0.00 O ATOM 840 CB ASN A 55 -8.376 -6.923 17.113 1.00 0.00 C ATOM 841 CG ASN A 55 -8.036 -8.360 17.473 1.00 0.00 C ATOM 842 OD1 ASN A 55 -7.160 -8.674 18.255 1.00 0.00 O ATOM 843 ND2 ASN A 55 -8.721 -9.300 16.867 1.00 0.00 N ATOM 0 H ASN A 55 -8.830 -4.896 15.856 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.411 -6.058 16.788 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.477 -6.334 18.024 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.341 -6.893 16.606 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.516 -10.282 17.054 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.459 -9.050 16.209 1.00 0.00 H new ATOM 850 N ASN A 56 -7.687 -7.394 14.054 1.00 0.00 N ATOM 851 CA ASN A 56 -7.388 -8.291 12.938 1.00 0.00 C ATOM 852 C ASN A 56 -5.975 -8.077 12.390 1.00 0.00 C ATOM 853 O ASN A 56 -5.316 -9.044 12.026 1.00 0.00 O ATOM 854 CB ASN A 56 -8.410 -8.091 11.813 1.00 0.00 C ATOM 855 CG ASN A 56 -9.633 -8.961 11.980 1.00 0.00 C ATOM 856 OD1 ASN A 56 -10.169 -9.131 13.063 1.00 0.00 O ATOM 857 ND2 ASN A 56 -10.119 -9.498 10.892 1.00 0.00 N ATOM 0 H ASN A 56 -8.551 -6.863 13.943 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.448 -9.311 13.318 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.714 -7.045 11.785 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -7.939 -8.312 10.855 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.961 -10.071 10.939 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.656 -9.344 9.996 1.00 0.00 H new ATOM 864 N CYS A 57 -5.526 -6.823 12.358 1.00 0.00 N ATOM 865 CA CYS A 57 -4.184 -6.436 11.942 1.00 0.00 C ATOM 866 C CYS A 57 -3.262 -6.106 13.127 1.00 0.00 C ATOM 867 O CYS A 57 -2.380 -5.264 12.981 1.00 0.00 O ATOM 868 CB CYS A 57 -4.281 -5.251 10.985 1.00 0.00 C ATOM 869 SG CYS A 57 -5.379 -5.484 9.571 1.00 0.00 S ATOM 0 H CYS A 57 -6.104 -6.028 12.629 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.732 -7.289 11.437 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.619 -4.380 11.546 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.282 -5.023 10.614 1.00 0.00 H new ATOM 874 N ASP A 58 -3.482 -6.737 14.280 1.00 0.00 N ATOM 875 CA ASP A 58 -2.683 -6.557 15.504 1.00 0.00 C ATOM 876 C ASP A 58 -2.013 -7.865 15.938 1.00 0.00 C ATOM 877 O ASP A 58 -0.919 -7.876 16.496 1.00 0.00 O ATOM 878 CB ASP A 58 -3.577 -6.029 16.633 1.00 0.00 C ATOM 879 CG ASP A 58 -2.759 -5.442 17.785 1.00 0.00 C ATOM 880 OD1 ASP A 58 -2.246 -6.240 18.599 1.00 0.00 O ATOM 881 OD2 ASP A 58 -2.672 -4.193 17.842 1.00 0.00 O ATOM 0 H ASP A 58 -4.241 -7.408 14.397 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.896 -5.834 15.289 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.247 -5.265 16.238 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.203 -6.839 17.008 1.00 0.00 H new ATOM 886 N LYS A 59 -2.647 -9.003 15.617 1.00 0.00 N ATOM 887 CA LYS A 59 -2.107 -10.329 15.922 1.00 0.00 C ATOM 888 C LYS A 59 -0.719 -10.512 15.296 1.00 0.00 C ATOM 889 O LYS A 59 -0.353 -9.848 14.332 1.00 0.00 O ATOM 890 CB LYS A 59 -3.059 -11.433 15.428 1.00 0.00 C ATOM 891 CG LYS A 59 -4.491 -11.313 15.980 1.00 0.00 C ATOM 892 CD LYS A 59 -4.584 -11.800 17.433 1.00 0.00 C ATOM 893 CE LYS A 59 -4.811 -13.316 17.465 1.00 0.00 C ATOM 894 NZ LYS A 59 -4.455 -13.889 18.786 1.00 0.00 N ATOM 0 H LYS A 59 -3.548 -9.026 15.139 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.012 -10.409 17.005 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.096 -11.407 14.339 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.651 -12.404 15.710 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.817 -10.274 15.923 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.171 -11.895 15.357 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.668 -11.550 17.968 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.401 -11.291 17.944 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.855 -13.534 17.242 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.213 -13.791 16.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.620 -14.916 18.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.452 -13.702 18.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.043 -13.452 19.524 1.00 0.00 H new ATOM 908 N ALA A 60 0.009 -11.509 15.796 1.00 0.00 N ATOM 909 CA ALA A 60 1.347 -11.824 15.299 1.00 0.00 C ATOM 910 C ALA A 60 1.306 -12.900 14.202 1.00 0.00 C ATOM 911 O ALA A 60 1.965 -12.802 13.178 1.00 0.00 O ATOM 912 CB ALA A 60 2.230 -12.261 16.473 1.00 0.00 C ATOM 0 H ALA A 60 -0.309 -12.117 16.551 1.00 0.00 H new ATOM 0 HA ALA A 60 1.772 -10.930 14.843 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.230 -12.497 16.108 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.291 -11.453 17.202 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.798 -13.144 16.945 1.00 0.00 H new ATOM 918 N ASP A 61 0.474 -13.922 14.392 1.00 0.00 N ATOM 919 CA ASP A 61 0.309 -15.011 13.418 1.00 0.00 C ATOM 920 C ASP A 61 -0.836 -14.724 12.428 1.00 0.00 C ATOM 921 O ASP A 61 -1.573 -15.605 11.994 1.00 0.00 O ATOM 922 CB ASP A 61 0.114 -16.331 14.171 1.00 0.00 C ATOM 923 CG ASP A 61 0.574 -17.521 13.325 1.00 0.00 C ATOM 924 OD1 ASP A 61 1.732 -17.472 12.855 1.00 0.00 O ATOM 925 OD2 ASP A 61 -0.215 -18.482 13.211 1.00 0.00 O ATOM 0 H ASP A 61 -0.107 -14.023 15.224 1.00 0.00 H new ATOM 0 HA ASP A 61 1.210 -15.089 12.810 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.675 -16.307 15.105 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.937 -16.452 14.433 1.00 0.00 H new ATOM 930 N ALA A 62 -1.083 -13.446 12.144 1.00 0.00 N ATOM 931 CA ALA A 62 -2.102 -13.038 11.191 1.00 0.00 C ATOM 932 C ALA A 62 -1.623 -13.188 9.735 1.00 0.00 C ATOM 933 O ALA A 62 -0.440 -13.356 9.439 1.00 0.00 O ATOM 934 CB ALA A 62 -2.544 -11.602 11.505 1.00 0.00 C ATOM 0 H ALA A 62 -0.580 -12.668 12.571 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.962 -13.700 11.292 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.308 -11.292 10.792 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.951 -11.559 12.515 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.687 -10.933 11.431 1.00 0.00 H new ATOM 940 N ILE A 63 -2.568 -13.054 8.802 1.00 0.00 N ATOM 941 CA ILE A 63 -2.315 -13.167 7.365 1.00 0.00 C ATOM 942 C ILE A 63 -2.920 -11.967 6.649 1.00 0.00 C ATOM 943 O ILE A 63 -4.112 -11.945 6.329 1.00 0.00 O ATOM 944 CB ILE A 63 -2.849 -14.495 6.804 1.00 0.00 C ATOM 945 CG1 ILE A 63 -2.191 -15.706 7.499 1.00 0.00 C ATOM 946 CG2 ILE A 63 -2.603 -14.536 5.282 1.00 0.00 C ATOM 947 CD1 ILE A 63 -2.971 -17.002 7.261 1.00 0.00 C ATOM 0 H ILE A 63 -3.544 -12.861 9.027 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.239 -13.169 7.193 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.919 -14.555 7.001 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.172 -15.824 7.131 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.123 -15.516 8.570 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.980 -15.476 4.878 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.121 -13.703 4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.534 -14.458 5.084 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.470 -17.826 7.769 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.983 -16.895 7.653 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.016 -17.208 6.192 1.00 0.00 H new ATOM 959 N LEU A 64 -2.103 -10.953 6.417 1.00 0.00 N ATOM 960 CA LEU A 64 -2.496 -9.778 5.659 1.00 0.00 C ATOM 961 C LEU A 64 -1.884 -9.824 4.263 1.00 0.00 C ATOM 962 O LEU A 64 -1.143 -10.743 3.902 1.00 0.00 O ATOM 963 CB LEU A 64 -2.103 -8.506 6.431 1.00 0.00 C ATOM 964 CG LEU A 64 -3.069 -8.061 7.525 1.00 0.00 C ATOM 965 CD1 LEU A 64 -3.076 -9.028 8.708 1.00 0.00 C ATOM 966 CD2 LEU A 64 -2.694 -6.642 7.948 1.00 0.00 C ATOM 0 H LEU A 64 -1.140 -10.923 6.753 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.579 -9.763 5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.124 -8.667 6.882 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.994 -7.690 5.716 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.087 -8.066 7.136 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.777 -8.673 9.464 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.380 -10.018 8.367 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.076 -9.084 9.138 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.373 -6.304 8.731 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.672 -6.633 8.326 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.769 -5.975 7.089 1.00 0.00 H new ATOM 978 N TRP A 65 -2.205 -8.816 3.463 1.00 0.00 N ATOM 979 CA TRP A 65 -1.688 -8.632 2.126 1.00 0.00 C ATOM 980 C TRP A 65 -1.487 -7.163 1.827 1.00 0.00 C ATOM 981 O TRP A 65 -2.231 -6.331 2.330 1.00 0.00 O ATOM 982 CB TRP A 65 -2.662 -9.259 1.142 1.00 0.00 C ATOM 983 CG TRP A 65 -2.628 -10.746 1.118 1.00 0.00 C ATOM 984 CD1 TRP A 65 -3.250 -11.575 1.983 1.00 0.00 C ATOM 985 CD2 TRP A 65 -1.903 -11.594 0.197 1.00 0.00 C ATOM 986 NE1 TRP A 65 -2.924 -12.881 1.673 1.00 0.00 N ATOM 987 CE2 TRP A 65 -2.135 -12.948 0.546 1.00 0.00 C ATOM 988 CE3 TRP A 65 -1.078 -11.353 -0.909 1.00 0.00 C ATOM 989 CZ2 TRP A 65 -1.580 -14.007 -0.184 1.00 0.00 C ATOM 990 CZ3 TRP A 65 -0.479 -12.397 -1.626 1.00 0.00 C ATOM 991 CH2 TRP A 65 -0.740 -13.732 -1.278 1.00 0.00 C ATOM 0 H TRP A 65 -2.856 -8.082 3.743 1.00 0.00 H new ATOM 0 HA TRP A 65 -0.716 -9.116 2.036 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -3.672 -8.933 1.390 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.443 -8.885 0.142 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -3.899 -11.266 2.789 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -3.229 -13.693 2.210 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -0.899 -10.334 -1.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -1.796 -15.029 0.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.185 -12.174 -2.448 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.300 -14.539 -1.845 1.00 0.00 H new ATOM 1002 N GLU A 66 -0.497 -6.866 0.999 1.00 0.00 N ATOM 1003 CA GLU A 66 -0.116 -5.518 0.596 1.00 0.00 C ATOM 1004 C GLU A 66 -0.111 -5.389 -0.921 1.00 0.00 C ATOM 1005 O GLU A 66 0.448 -6.248 -1.609 1.00 0.00 O ATOM 1006 CB GLU A 66 1.224 -5.090 1.204 1.00 0.00 C ATOM 1007 CG GLU A 66 2.310 -6.150 1.097 1.00 0.00 C ATOM 1008 CD GLU A 66 3.428 -5.932 2.092 1.00 0.00 C ATOM 1009 OE1 GLU A 66 3.986 -4.813 2.015 1.00 0.00 O ATOM 1010 OE2 GLU A 66 3.768 -6.939 2.737 1.00 0.00 O ATOM 0 H GLU A 66 0.087 -7.585 0.572 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.868 -4.834 0.990 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.565 -4.182 0.707 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.073 -4.841 2.255 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.870 -7.134 1.258 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.720 -6.146 0.087 1.00 0.00 H new ATOM 1017 N TYR A 67 -0.650 -4.296 -1.450 1.00 0.00 N ATOM 1018 CA TYR A 67 -0.709 -4.066 -2.896 1.00 0.00 C ATOM 1019 C TYR A 67 -0.345 -2.621 -3.237 1.00 0.00 C ATOM 1020 O TYR A 67 -0.722 -1.734 -2.483 1.00 0.00 O ATOM 1021 CB TYR A 67 -2.100 -4.426 -3.428 1.00 0.00 C ATOM 1022 CG TYR A 67 -2.187 -4.522 -4.935 1.00 0.00 C ATOM 1023 CD1 TYR A 67 -1.730 -5.676 -5.578 1.00 0.00 C ATOM 1024 CD2 TYR A 67 -2.617 -3.435 -5.711 1.00 0.00 C ATOM 1025 CE1 TYR A 67 -1.725 -5.777 -6.972 1.00 0.00 C ATOM 1026 CE2 TYR A 67 -2.622 -3.517 -7.119 1.00 0.00 C ATOM 1027 CZ TYR A 67 -2.213 -4.717 -7.745 1.00 0.00 C ATOM 1028 OH TYR A 67 -2.335 -4.949 -9.074 1.00 0.00 O ATOM 0 H TYR A 67 -1.058 -3.545 -0.894 1.00 0.00 H new ATOM 0 HA TYR A 67 0.024 -4.710 -3.381 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.405 -5.380 -2.997 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.813 -3.678 -3.082 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.374 -6.506 -4.986 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.947 -2.528 -5.226 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.347 -6.668 -7.450 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.935 -2.671 -7.713 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.872 -4.238 -9.482 1.00 0.00 H new ATOM 1038 N PRO A 68 0.433 -2.365 -4.294 1.00 0.00 N ATOM 1039 CA PRO A 68 0.836 -1.022 -4.726 1.00 0.00 C ATOM 1040 C PRO A 68 -0.352 -0.196 -5.201 1.00 0.00 C ATOM 1041 O PRO A 68 -1.407 -0.754 -5.423 1.00 0.00 O ATOM 1042 CB PRO A 68 1.798 -1.259 -5.887 1.00 0.00 C ATOM 1043 CG PRO A 68 1.384 -2.623 -6.416 1.00 0.00 C ATOM 1044 CD PRO A 68 0.894 -3.372 -5.218 1.00 0.00 C ATOM 0 HA PRO A 68 1.284 -0.464 -3.904 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.704 -0.487 -6.650 1.00 0.00 H new ATOM 0 HB3 PRO A 68 2.836 -1.255 -5.555 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.603 -2.533 -7.171 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.224 -3.136 -6.885 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.089 -4.057 -5.486 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.690 -3.973 -4.778 1.00 0.00 H new ATOM 1052 N ILE A 69 -0.174 1.110 -5.408 1.00 0.00 N ATOM 1053 CA ILE A 69 -1.233 1.993 -5.923 1.00 0.00 C ATOM 1054 C ILE A 69 -0.674 3.044 -6.869 1.00 0.00 C ATOM 1055 O ILE A 69 0.526 3.292 -6.909 1.00 0.00 O ATOM 1056 CB ILE A 69 -1.985 2.665 -4.751 1.00 0.00 C ATOM 1057 CG1 ILE A 69 -3.389 3.144 -5.174 1.00 0.00 C ATOM 1058 CG2 ILE A 69 -1.184 3.846 -4.181 1.00 0.00 C ATOM 1059 CD1 ILE A 69 -4.353 3.332 -3.999 1.00 0.00 C ATOM 0 H ILE A 69 0.707 1.590 -5.225 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.934 1.380 -6.490 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.099 1.908 -3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.295 4.088 -5.711 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.815 2.422 -5.871 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.738 4.298 -3.359 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.220 3.490 -3.817 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.025 4.589 -4.963 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.320 3.670 -4.372 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.477 2.384 -3.475 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.949 4.076 -3.312 1.00 0.00 H new ATOM 1071 N TYR A 70 -1.540 3.773 -7.552 1.00 0.00 N ATOM 1072 CA TYR A 70 -1.147 4.864 -8.426 1.00 0.00 C ATOM 1073 C TYR A 70 -1.939 6.110 -8.081 1.00 0.00 C ATOM 1074 O TYR A 70 -3.123 6.202 -8.376 1.00 0.00 O ATOM 1075 CB TYR A 70 -1.339 4.435 -9.870 1.00 0.00 C ATOM 1076 CG TYR A 70 -0.284 3.451 -10.330 1.00 0.00 C ATOM 1077 CD1 TYR A 70 -0.303 2.132 -9.861 1.00 0.00 C ATOM 1078 CD2 TYR A 70 0.677 3.836 -11.281 1.00 0.00 C ATOM 1079 CE1 TYR A 70 0.662 1.233 -10.315 1.00 0.00 C ATOM 1080 CE2 TYR A 70 1.635 2.931 -11.744 1.00 0.00 C ATOM 1081 CZ TYR A 70 1.618 1.614 -11.268 1.00 0.00 C ATOM 1082 OH TYR A 70 2.522 0.731 -11.735 1.00 0.00 O ATOM 0 H TYR A 70 -2.548 3.622 -7.514 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.094 5.107 -8.287 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.325 3.984 -9.983 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -1.315 5.315 -10.513 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -1.056 1.814 -9.156 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.675 4.847 -11.660 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.673 0.226 -9.926 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.380 3.243 -12.461 1.00 0.00 H new ATOM 0 HH TYR A 70 2.743 0.086 -11.031 1.00 0.00 H new ATOM 1092 N TRP A 71 -1.277 7.057 -7.411 1.00 0.00 N ATOM 1093 CA TRP A 71 -1.871 8.360 -7.111 1.00 0.00 C ATOM 1094 C TRP A 71 -2.327 9.087 -8.384 1.00 0.00 C ATOM 1095 O TRP A 71 -1.981 8.712 -9.498 1.00 0.00 O ATOM 1096 CB TRP A 71 -0.861 9.229 -6.351 1.00 0.00 C ATOM 1097 CG TRP A 71 0.522 9.221 -6.921 1.00 0.00 C ATOM 1098 CD1 TRP A 71 1.001 9.989 -7.918 1.00 0.00 C ATOM 1099 CD2 TRP A 71 1.623 8.368 -6.533 1.00 0.00 C ATOM 1100 NE1 TRP A 71 2.326 9.693 -8.161 1.00 0.00 N ATOM 1101 CE2 TRP A 71 2.770 8.716 -7.300 1.00 0.00 C ATOM 1102 CE3 TRP A 71 1.755 7.358 -5.570 1.00 0.00 C ATOM 1103 CZ2 TRP A 71 3.989 8.055 -7.146 1.00 0.00 C ATOM 1104 CZ3 TRP A 71 2.989 6.725 -5.367 1.00 0.00 C ATOM 1105 CH2 TRP A 71 4.103 7.072 -6.158 1.00 0.00 C ATOM 0 H TRP A 71 -0.324 6.943 -7.065 1.00 0.00 H new ATOM 0 HA TRP A 71 -2.752 8.188 -6.493 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.226 10.256 -6.333 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -0.815 8.889 -5.316 1.00 0.00 H new ATOM 0 HD1 TRP A 71 0.428 10.732 -8.452 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.898 10.137 -8.880 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.899 7.065 -4.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 4.830 8.298 -7.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 3.087 5.969 -4.602 1.00 0.00 H new ATOM 0 HH2 TRP A 71 5.049 6.576 -6.000 1.00 0.00 H new ATOM 1116 N VAL A 72 -2.960 10.245 -8.210 1.00 0.00 N ATOM 1117 CA VAL A 72 -3.418 11.079 -9.333 1.00 0.00 C ATOM 1118 C VAL A 72 -2.294 11.512 -10.267 1.00 0.00 C ATOM 1119 O VAL A 72 -2.461 11.538 -11.476 1.00 0.00 O ATOM 1120 CB VAL A 72 -4.134 12.332 -8.814 1.00 0.00 C ATOM 1121 CG1 VAL A 72 -3.214 13.231 -7.961 1.00 0.00 C ATOM 1122 CG2 VAL A 72 -4.728 13.144 -9.975 1.00 0.00 C ATOM 0 H VAL A 72 -3.172 10.636 -7.292 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.101 10.452 -9.906 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.940 11.982 -8.169 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.772 14.103 -7.620 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.855 12.670 -7.098 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.364 13.556 -8.562 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.231 14.028 -9.581 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.929 13.451 -10.650 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.446 12.530 -10.518 1.00 0.00 H new ATOM 1132 N GLY A 73 -1.150 11.908 -9.704 1.00 0.00 N ATOM 1133 CA GLY A 73 0.022 12.330 -10.470 1.00 0.00 C ATOM 1134 C GLY A 73 0.482 11.273 -11.475 1.00 0.00 C ATOM 1135 O GLY A 73 1.122 11.611 -12.464 1.00 0.00 O ATOM 0 H GLY A 73 -1.011 11.945 -8.694 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.209 13.254 -11.001 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.839 12.553 -9.783 1.00 0.00 H new ATOM 1139 N LYS A 74 0.220 9.990 -11.194 1.00 0.00 N ATOM 1140 CA LYS A 74 0.480 8.895 -12.123 1.00 0.00 C ATOM 1141 C LYS A 74 -0.624 8.760 -13.181 1.00 0.00 C ATOM 1142 O LYS A 74 -1.734 9.242 -13.034 1.00 0.00 O ATOM 1143 CB LYS A 74 0.623 7.607 -11.311 1.00 0.00 C ATOM 1144 CG LYS A 74 2.069 7.386 -10.862 1.00 0.00 C ATOM 1145 CD LYS A 74 2.128 6.420 -9.673 1.00 0.00 C ATOM 1146 CE LYS A 74 3.502 5.776 -9.522 1.00 0.00 C ATOM 1147 NZ LYS A 74 3.756 4.852 -10.643 1.00 0.00 N ATOM 0 H LYS A 74 -0.182 9.686 -10.307 1.00 0.00 H new ATOM 0 HA LYS A 74 1.400 9.101 -12.670 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.028 7.652 -10.438 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.293 6.759 -11.911 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.655 6.987 -11.690 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.518 8.340 -10.584 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.878 6.957 -8.758 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.376 5.642 -9.802 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.272 6.547 -9.495 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.557 5.236 -8.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.262 4.013 -10.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.851 4.560 -11.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.334 5.330 -11.363 1.00 0.00 H new ATOM 1161 N ASN A 75 -0.320 8.023 -14.246 1.00 0.00 N ATOM 1162 CA ASN A 75 -1.257 7.754 -15.342 1.00 0.00 C ATOM 1163 C ASN A 75 -1.291 6.263 -15.709 1.00 0.00 C ATOM 1164 O ASN A 75 -1.348 5.887 -16.872 1.00 0.00 O ATOM 1165 CB ASN A 75 -0.890 8.650 -16.534 1.00 0.00 C ATOM 1166 CG ASN A 75 -2.021 8.713 -17.545 1.00 0.00 C ATOM 1167 OD1 ASN A 75 -2.009 8.117 -18.604 1.00 0.00 O ATOM 1168 ND2 ASN A 75 -3.042 9.475 -17.241 1.00 0.00 N ATOM 0 H ASN A 75 0.594 7.589 -14.377 1.00 0.00 H new ATOM 0 HA ASN A 75 -2.271 7.996 -15.024 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.660 9.655 -16.179 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.010 8.268 -17.015 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -3.822 9.566 -17.892 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.057 9.977 -16.353 1.00 0.00 H new ATOM 1175 N ALA A 76 -1.150 5.390 -14.718 1.00 0.00 N ATOM 1176 CA ALA A 76 -1.186 3.955 -14.956 1.00 0.00 C ATOM 1177 C ALA A 76 -1.627 3.211 -13.701 1.00 0.00 C ATOM 1178 O ALA A 76 -1.893 3.847 -12.689 1.00 0.00 O ATOM 1179 CB ALA A 76 0.191 3.508 -15.478 1.00 0.00 C ATOM 0 H ALA A 76 -1.010 5.653 -13.742 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.927 3.711 -15.717 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.179 2.434 -15.661 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.416 4.032 -16.407 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.955 3.741 -14.736 1.00 0.00 H new ATOM 1185 N GLU A 77 -1.676 1.885 -13.770 1.00 0.00 N ATOM 1186 CA GLU A 77 -1.967 1.015 -12.635 1.00 0.00 C ATOM 1187 C GLU A 77 -1.056 -0.216 -12.632 1.00 0.00 C ATOM 1188 O GLU A 77 -0.410 -0.531 -13.634 1.00 0.00 O ATOM 1189 CB GLU A 77 -3.445 0.616 -12.670 1.00 0.00 C ATOM 1190 CG GLU A 77 -3.960 0.156 -11.299 1.00 0.00 C ATOM 1191 CD GLU A 77 -5.479 -0.066 -11.318 1.00 0.00 C ATOM 1192 OE1 GLU A 77 -5.917 -1.157 -11.764 1.00 0.00 O ATOM 1193 OE2 GLU A 77 -6.203 0.853 -10.884 1.00 0.00 O ATOM 0 H GLU A 77 -1.511 1.373 -14.637 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.769 1.557 -11.710 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.039 1.463 -13.013 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.585 -0.186 -13.395 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.459 -0.768 -11.012 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.709 0.902 -10.545 1.00 0.00 H new ATOM 1200 N TRP A 78 -0.995 -0.903 -11.492 1.00 0.00 N ATOM 1201 CA TRP A 78 -0.178 -2.089 -11.324 1.00 0.00 C ATOM 1202 C TRP A 78 -0.809 -3.251 -12.076 1.00 0.00 C ATOM 1203 O TRP A 78 -1.995 -3.550 -11.922 1.00 0.00 O ATOM 1204 CB TRP A 78 -0.015 -2.436 -9.846 1.00 0.00 C ATOM 1205 CG TRP A 78 1.276 -3.127 -9.581 1.00 0.00 C ATOM 1206 CD1 TRP A 78 1.470 -4.464 -9.561 1.00 0.00 C ATOM 1207 CD2 TRP A 78 2.558 -2.517 -9.254 1.00 0.00 C ATOM 1208 NE1 TRP A 78 2.802 -4.715 -9.301 1.00 0.00 N ATOM 1209 CE2 TRP A 78 3.499 -3.559 -9.043 1.00 0.00 C ATOM 1210 CE3 TRP A 78 3.006 -1.199 -9.025 1.00 0.00 C ATOM 1211 CZ2 TRP A 78 4.816 -3.303 -8.653 1.00 0.00 C ATOM 1212 CZ3 TRP A 78 4.325 -0.922 -8.638 1.00 0.00 C ATOM 1213 CH2 TRP A 78 5.238 -1.972 -8.471 1.00 0.00 C ATOM 0 H TRP A 78 -1.518 -0.644 -10.656 1.00 0.00 H new ATOM 0 HA TRP A 78 0.814 -1.892 -11.731 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -0.069 -1.525 -9.250 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -0.840 -3.073 -9.529 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.708 -5.213 -9.722 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.219 -5.646 -9.300 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.313 -0.380 -9.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.505 -4.119 -8.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.637 0.098 -8.469 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.263 -1.761 -8.203 1.00 0.00 H new ATOM 1224 N ALA A 79 -0.016 -3.919 -12.898 1.00 0.00 N ATOM 1225 CA ALA A 79 -0.497 -5.081 -13.620 1.00 0.00 C ATOM 1226 C ALA A 79 -0.565 -6.331 -12.732 1.00 0.00 C ATOM 1227 O ALA A 79 -0.061 -6.371 -11.614 1.00 0.00 O ATOM 1228 CB ALA A 79 0.386 -5.299 -14.837 1.00 0.00 C ATOM 0 H ALA A 79 0.958 -3.677 -13.080 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.521 -4.896 -13.945 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.035 -6.171 -15.390 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.343 -4.420 -15.480 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.415 -5.463 -14.516 1.00 0.00 H new ATOM 1234 N LYS A 80 -1.164 -7.398 -13.272 1.00 0.00 N ATOM 1235 CA LYS A 80 -1.243 -8.688 -12.588 1.00 0.00 C ATOM 1236 C LYS A 80 0.043 -9.487 -12.715 1.00 0.00 C ATOM 1237 O LYS A 80 0.571 -9.933 -11.704 1.00 0.00 O ATOM 1238 CB LYS A 80 -2.417 -9.499 -13.126 1.00 0.00 C ATOM 1239 CG LYS A 80 -3.752 -8.968 -12.590 1.00 0.00 C ATOM 1240 CD LYS A 80 -4.872 -9.983 -12.840 1.00 0.00 C ATOM 1241 CE LYS A 80 -5.374 -9.907 -14.286 1.00 0.00 C ATOM 1242 NZ LYS A 80 -6.483 -10.864 -14.523 1.00 0.00 N ATOM 0 H LYS A 80 -1.605 -7.389 -14.192 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.396 -8.482 -11.529 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.419 -9.461 -14.215 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.299 -10.545 -12.843 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.668 -8.766 -11.522 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.995 -8.022 -13.075 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.508 -10.989 -12.631 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.698 -9.794 -12.155 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.713 -8.894 -14.503 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.553 -10.122 -14.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.801 -10.789 -15.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.151 -11.832 -14.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.275 -10.642 -13.886 1.00 0.00 H new ATOM 1256 N ASP A 81 0.507 -9.736 -13.933 1.00 0.00 N ATOM 1257 CA ASP A 81 1.715 -10.507 -14.246 1.00 0.00 C ATOM 1258 C ASP A 81 2.906 -9.583 -14.557 1.00 0.00 C ATOM 1259 O ASP A 81 3.663 -9.783 -15.497 1.00 0.00 O ATOM 1260 CB ASP A 81 1.434 -11.497 -15.384 1.00 0.00 C ATOM 1261 CG ASP A 81 1.172 -10.790 -16.718 1.00 0.00 C ATOM 1262 OD1 ASP A 81 0.214 -9.976 -16.723 1.00 0.00 O ATOM 1263 OD2 ASP A 81 1.886 -11.090 -17.696 1.00 0.00 O ATOM 0 H ASP A 81 0.035 -9.393 -14.770 1.00 0.00 H new ATOM 0 HA ASP A 81 1.996 -11.086 -13.366 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.283 -12.172 -15.494 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.571 -12.110 -15.125 1.00 0.00 H new ATOM 1268 N VAL A 82 3.128 -8.568 -13.719 1.00 0.00 N ATOM 1269 CA VAL A 82 4.228 -7.618 -13.900 1.00 0.00 C ATOM 1270 C VAL A 82 4.975 -7.391 -12.599 1.00 0.00 C ATOM 1271 O VAL A 82 4.411 -6.968 -11.595 1.00 0.00 O ATOM 1272 CB VAL A 82 3.688 -6.303 -14.456 1.00 0.00 C ATOM 1273 CG1 VAL A 82 4.796 -5.262 -14.552 1.00 0.00 C ATOM 1274 CG2 VAL A 82 3.127 -6.509 -15.874 1.00 0.00 C ATOM 0 H VAL A 82 2.552 -8.382 -12.898 1.00 0.00 H new ATOM 0 HA VAL A 82 4.937 -8.038 -14.614 1.00 0.00 H new ATOM 0 HB VAL A 82 2.905 -5.962 -13.778 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.389 -4.333 -14.951 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.211 -5.080 -13.561 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.582 -5.627 -15.213 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.746 -5.562 -16.256 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.919 -6.872 -16.529 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.318 -7.239 -15.843 1.00 0.00 H new ATOM 1284 N LYS A 83 6.280 -7.667 -12.611 1.00 0.00 N ATOM 1285 CA LYS A 83 7.130 -7.423 -11.445 1.00 0.00 C ATOM 1286 C LYS A 83 7.406 -5.935 -11.300 1.00 0.00 C ATOM 1287 O LYS A 83 7.428 -5.210 -12.289 1.00 0.00 O ATOM 1288 CB LYS A 83 8.423 -8.230 -11.591 1.00 0.00 C ATOM 1289 CG LYS A 83 8.978 -8.639 -10.220 1.00 0.00 C ATOM 1290 CD LYS A 83 10.183 -9.576 -10.376 1.00 0.00 C ATOM 1291 CE LYS A 83 11.417 -8.840 -10.916 1.00 0.00 C ATOM 1292 NZ LYS A 83 11.933 -7.852 -9.932 1.00 0.00 N ATOM 0 H LYS A 83 6.771 -8.059 -13.414 1.00 0.00 H new ATOM 0 HA LYS A 83 6.622 -7.748 -10.537 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.234 -9.121 -12.190 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.166 -7.638 -12.126 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.273 -7.750 -9.662 1.00 0.00 H new ATOM 0 HG3 LYS A 83 8.199 -9.135 -9.641 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.421 -10.024 -9.411 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.923 -10.392 -11.051 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.198 -9.562 -11.153 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.161 -8.331 -11.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.886 -7.546 -10.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.299 -7.028 -9.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.976 -8.290 -8.990 1.00 0.00 H new ATOM 1306 N THR A 84 7.811 -5.503 -10.108 1.00 0.00 N ATOM 1307 CA THR A 84 8.210 -4.112 -9.820 1.00 0.00 C ATOM 1308 C THR A 84 9.195 -3.537 -10.836 1.00 0.00 C ATOM 1309 O THR A 84 9.109 -2.370 -11.172 1.00 0.00 O ATOM 1310 CB THR A 84 8.871 -4.014 -8.441 1.00 0.00 C ATOM 1311 OG1 THR A 84 9.843 -5.044 -8.350 1.00 0.00 O ATOM 1312 CG2 THR A 84 7.880 -4.165 -7.294 1.00 0.00 C ATOM 0 H THR A 84 7.875 -6.115 -9.295 1.00 0.00 H new ATOM 0 HA THR A 84 7.286 -3.536 -9.865 1.00 0.00 H new ATOM 0 HB THR A 84 9.314 -3.022 -8.349 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.283 -5.002 -7.475 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.408 -4.086 -6.344 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.128 -3.379 -7.357 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.394 -5.138 -7.359 1.00 0.00 H new ATOM 1320 N SER A 85 10.126 -4.372 -11.319 1.00 0.00 N ATOM 1321 CA SER A 85 11.084 -4.006 -12.369 1.00 0.00 C ATOM 1322 C SER A 85 10.394 -3.669 -13.689 1.00 0.00 C ATOM 1323 O SER A 85 10.505 -2.555 -14.189 1.00 0.00 O ATOM 1324 CB SER A 85 12.073 -5.151 -12.603 1.00 0.00 C ATOM 1325 OG SER A 85 13.001 -4.789 -13.596 1.00 0.00 O ATOM 0 H SER A 85 10.235 -5.330 -10.987 1.00 0.00 H new ATOM 0 HA SER A 85 11.610 -3.116 -12.023 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.594 -5.388 -11.675 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.536 -6.050 -12.906 1.00 0.00 H new ATOM 0 HG SER A 85 13.631 -5.526 -13.739 1.00 0.00 H new ATOM 1331 N GLN A 86 9.687 -4.645 -14.272 1.00 0.00 N ATOM 1332 CA GLN A 86 8.955 -4.438 -15.517 1.00 0.00 C ATOM 1333 C GLN A 86 7.982 -3.267 -15.411 1.00 0.00 C ATOM 1334 O GLN A 86 7.799 -2.573 -16.409 1.00 0.00 O ATOM 1335 CB GLN A 86 8.224 -5.728 -15.911 1.00 0.00 C ATOM 1336 CG GLN A 86 7.305 -5.559 -17.141 1.00 0.00 C ATOM 1337 CD GLN A 86 8.063 -5.433 -18.454 1.00 0.00 C ATOM 1338 OE1 GLN A 86 9.154 -4.890 -18.554 1.00 0.00 O ATOM 1339 NE2 GLN A 86 7.488 -5.929 -19.523 1.00 0.00 N ATOM 0 H GLN A 86 9.609 -5.589 -13.895 1.00 0.00 H new ATOM 0 HA GLN A 86 9.673 -4.185 -16.298 1.00 0.00 H new ATOM 0 HB2 GLN A 86 8.960 -6.505 -16.120 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.628 -6.072 -15.066 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.631 -6.413 -17.201 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.685 -4.673 -17.002 1.00 0.00 H new ATOM 0 HE21 GLN A 86 6.578 -6.384 -19.448 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.951 -5.860 -20.429 1.00 0.00 H new ATOM 1348 N GLN A 87 7.378 -3.063 -14.237 1.00 0.00 N ATOM 1349 CA GLN A 87 6.425 -2.004 -13.948 1.00 0.00 C ATOM 1350 C GLN A 87 6.818 -0.684 -14.607 1.00 0.00 C ATOM 1351 O GLN A 87 7.731 0.012 -14.169 1.00 0.00 O ATOM 1352 CB GLN A 87 6.260 -1.832 -12.431 1.00 0.00 C ATOM 1353 CG GLN A 87 4.873 -1.303 -12.086 1.00 0.00 C ATOM 1354 CD GLN A 87 3.763 -2.220 -12.584 1.00 0.00 C ATOM 1355 OE1 GLN A 87 3.050 -1.912 -13.521 1.00 0.00 O ATOM 1356 NE2 GLN A 87 3.669 -3.415 -12.053 1.00 0.00 N ATOM 0 H GLN A 87 7.552 -3.662 -13.430 1.00 0.00 H new ATOM 0 HA GLN A 87 5.466 -2.299 -14.374 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.422 -2.788 -11.934 1.00 0.00 H new ATOM 0 HB3 GLN A 87 7.018 -1.145 -12.055 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.789 -1.189 -11.005 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.746 -0.312 -12.522 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.267 -3.673 -11.268 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.998 -4.087 -12.425 1.00 0.00 H new ATOM 1365 N LYS A 88 6.134 -0.354 -15.703 1.00 0.00 N ATOM 1366 CA LYS A 88 6.460 0.839 -16.483 1.00 0.00 C ATOM 1367 C LYS A 88 5.845 2.074 -15.883 1.00 0.00 C ATOM 1368 O LYS A 88 6.521 3.087 -15.779 1.00 0.00 O ATOM 1369 CB LYS A 88 5.994 0.703 -17.935 1.00 0.00 C ATOM 1370 CG LYS A 88 6.783 -0.348 -18.719 1.00 0.00 C ATOM 1371 CD LYS A 88 8.230 0.105 -18.982 1.00 0.00 C ATOM 1372 CE LYS A 88 9.155 -1.104 -19.149 1.00 0.00 C ATOM 1373 NZ LYS A 88 10.543 -0.782 -18.732 1.00 0.00 N ATOM 0 H LYS A 88 5.352 -0.896 -16.070 1.00 0.00 H new ATOM 0 HA LYS A 88 7.545 0.936 -16.464 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.936 0.440 -17.948 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.089 1.668 -18.433 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.791 -1.286 -18.164 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.285 -0.544 -19.669 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.265 0.723 -19.879 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.578 0.724 -18.155 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.779 -1.937 -18.556 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.151 -1.427 -20.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.146 -1.620 -18.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.909 -0.003 -19.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.548 -0.498 -17.732 1.00 0.00 H new ATOM 1387 N GLY A 89 4.581 1.962 -15.463 1.00 0.00 N ATOM 1388 CA GLY A 89 3.813 3.040 -14.853 1.00 0.00 C ATOM 1389 C GLY A 89 4.613 3.866 -13.844 1.00 0.00 C ATOM 1390 O GLY A 89 4.454 5.079 -13.742 1.00 0.00 O ATOM 0 H GLY A 89 4.054 1.093 -15.542 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.442 3.700 -15.637 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.941 2.617 -14.354 1.00 0.00 H new ATOM 1394 N GLY A 90 5.441 3.197 -13.046 1.00 0.00 N ATOM 1395 CA GLY A 90 6.418 3.819 -12.170 1.00 0.00 C ATOM 1396 C GLY A 90 6.363 3.221 -10.767 1.00 0.00 C ATOM 1397 O GLY A 90 5.354 2.611 -10.395 1.00 0.00 O ATOM 0 H GLY A 90 5.447 2.178 -12.993 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.417 3.688 -12.585 1.00 0.00 H new ATOM 0 HA3 GLY A 90 6.233 4.892 -12.118 1.00 0.00 H new ATOM 1401 N PRO A 91 7.383 3.491 -9.954 1.00 0.00 N ATOM 1402 CA PRO A 91 7.452 3.048 -8.570 1.00 0.00 C ATOM 1403 C PRO A 91 6.426 3.762 -7.695 1.00 0.00 C ATOM 1404 O PRO A 91 6.061 4.916 -7.919 1.00 0.00 O ATOM 1405 CB PRO A 91 8.878 3.359 -8.122 1.00 0.00 C ATOM 1406 CG PRO A 91 9.278 4.518 -9.033 1.00 0.00 C ATOM 1407 CD PRO A 91 8.543 4.276 -10.323 1.00 0.00 C ATOM 0 HA PRO A 91 7.219 1.987 -8.478 1.00 0.00 H new ATOM 0 HB2 PRO A 91 8.918 3.640 -7.070 1.00 0.00 H new ATOM 0 HB3 PRO A 91 9.537 2.500 -8.248 1.00 0.00 H new ATOM 0 HG2 PRO A 91 9.001 5.477 -8.595 1.00 0.00 H new ATOM 0 HG3 PRO A 91 10.356 4.540 -9.192 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.250 5.215 -10.792 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.168 3.743 -11.039 1.00 0.00 H new ATOM 1415 N THR A 92 5.943 3.053 -6.683 1.00 0.00 N ATOM 1416 CA THR A 92 4.947 3.557 -5.742 1.00 0.00 C ATOM 1417 C THR A 92 5.154 2.952 -4.347 1.00 0.00 C ATOM 1418 O THR A 92 5.066 1.736 -4.157 1.00 0.00 O ATOM 1419 CB THR A 92 3.504 3.370 -6.218 1.00 0.00 C ATOM 1420 OG1 THR A 92 2.685 3.445 -5.075 1.00 0.00 O ATOM 1421 CG2 THR A 92 3.336 2.063 -6.991 1.00 0.00 C ATOM 0 H THR A 92 6.236 2.096 -6.488 1.00 0.00 H new ATOM 0 HA THR A 92 5.104 4.634 -5.684 1.00 0.00 H new ATOM 0 HB THR A 92 3.217 4.149 -6.924 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.744 3.402 -5.344 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.300 1.962 -7.314 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.989 2.070 -7.864 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.599 1.223 -6.348 1.00 0.00 H new ATOM 1429 N PRO A 93 5.459 3.798 -3.351 1.00 0.00 N ATOM 1430 CA PRO A 93 5.666 3.369 -1.989 1.00 0.00 C ATOM 1431 C PRO A 93 4.367 2.997 -1.308 1.00 0.00 C ATOM 1432 O PRO A 93 4.343 2.055 -0.516 1.00 0.00 O ATOM 1433 CB PRO A 93 6.271 4.577 -1.285 1.00 0.00 C ATOM 1434 CG PRO A 93 5.837 5.777 -2.080 1.00 0.00 C ATOM 1435 CD PRO A 93 5.723 5.212 -3.482 1.00 0.00 C ATOM 0 HA PRO A 93 6.300 2.483 -1.956 1.00 0.00 H new ATOM 0 HB2 PRO A 93 5.922 4.644 -0.255 1.00 0.00 H new ATOM 0 HB3 PRO A 93 7.358 4.504 -1.249 1.00 0.00 H new ATOM 0 HG2 PRO A 93 4.888 6.178 -1.725 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.565 6.586 -2.026 1.00 0.00 H new ATOM 0 HD2 PRO A 93 4.920 5.704 -4.031 1.00 0.00 H new ATOM 0 HD3 PRO A 93 6.643 5.382 -4.041 1.00 0.00 H new ATOM 1443 N ILE A 94 3.326 3.798 -1.561 1.00 0.00 N ATOM 1444 CA ILE A 94 2.002 3.610 -0.995 1.00 0.00 C ATOM 1445 C ILE A 94 1.498 2.220 -1.342 1.00 0.00 C ATOM 1446 O ILE A 94 1.464 1.852 -2.517 1.00 0.00 O ATOM 1447 CB ILE A 94 0.998 4.677 -1.464 1.00 0.00 C ATOM 1448 CG1 ILE A 94 1.472 6.086 -1.090 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.397 4.427 -0.842 1.00 0.00 C ATOM 1450 CD1 ILE A 94 0.822 7.196 -1.884 1.00 0.00 C ATOM 0 H ILE A 94 3.390 4.608 -2.178 1.00 0.00 H new ATOM 0 HA ILE A 94 2.087 3.718 0.086 1.00 0.00 H new ATOM 0 HB ILE A 94 0.929 4.604 -2.549 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.277 6.252 -0.030 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.552 6.141 -1.228 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.092 5.193 -1.187 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.760 3.445 -1.145 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.323 4.467 0.245 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.215 8.158 -1.554 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.038 7.060 -2.944 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.256 7.172 -1.727 1.00 0.00 H new ATOM 1462 N ARG A 95 1.099 1.457 -0.325 1.00 0.00 N ATOM 1463 CA ARG A 95 0.530 0.126 -0.499 1.00 0.00 C ATOM 1464 C ARG A 95 -0.697 -0.066 0.374 1.00 0.00 C ATOM 1465 O ARG A 95 -0.693 0.292 1.543 1.00 0.00 O ATOM 1466 CB ARG A 95 1.599 -0.934 -0.214 1.00 0.00 C ATOM 1467 CG ARG A 95 2.566 -1.110 -1.395 1.00 0.00 C ATOM 1468 CD ARG A 95 3.947 -1.535 -0.920 1.00 0.00 C ATOM 1469 NE ARG A 95 4.093 -2.999 -0.846 1.00 0.00 N ATOM 1470 CZ ARG A 95 5.211 -3.669 -1.041 1.00 0.00 C ATOM 1471 NH1 ARG A 95 6.309 -3.057 -1.374 1.00 0.00 N ATOM 1472 NH2 ARG A 95 5.259 -4.960 -0.945 1.00 0.00 N ATOM 0 H ARG A 95 1.163 1.750 0.650 1.00 0.00 H new ATOM 0 HA ARG A 95 0.202 0.015 -1.532 1.00 0.00 H new ATOM 0 HB2 ARG A 95 2.161 -0.651 0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.116 -1.886 0.004 1.00 0.00 H new ATOM 0 HG2 ARG A 95 2.170 -1.857 -2.084 1.00 0.00 H new ATOM 0 HG3 ARG A 95 2.642 -0.174 -1.949 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.700 -1.132 -1.597 1.00 0.00 H new ATOM 0 HD3 ARG A 95 4.138 -1.104 0.063 1.00 0.00 H new ATOM 0 HE ARG A 95 3.257 -3.540 -0.625 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.313 -2.043 -1.488 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.166 -3.591 -1.521 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.416 -5.486 -0.713 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.139 -5.451 -1.102 1.00 0.00 H new ATOM 1486 N VAL A 96 -1.760 -0.624 -0.187 1.00 0.00 N ATOM 1487 CA VAL A 96 -2.959 -0.995 0.567 1.00 0.00 C ATOM 1488 C VAL A 96 -2.761 -2.277 1.337 1.00 0.00 C ATOM 1489 O VAL A 96 -2.299 -3.249 0.761 1.00 0.00 O ATOM 1490 CB VAL A 96 -4.185 -1.091 -0.346 1.00 0.00 C ATOM 1491 CG1 VAL A 96 -3.983 -2.096 -1.473 1.00 0.00 C ATOM 1492 CG2 VAL A 96 -5.456 -1.433 0.434 1.00 0.00 C ATOM 0 H VAL A 96 -1.820 -0.835 -1.183 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.139 -0.200 1.291 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.308 -0.102 -0.787 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.878 -2.130 -2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.130 -1.794 -2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.796 -3.083 -1.051 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.300 -1.491 -0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.329 -2.393 0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.646 -0.659 1.178 1.00 0.00 H new ATOM 1502 N VAL A 97 -3.158 -2.290 2.600 1.00 0.00 N ATOM 1503 CA VAL A 97 -3.105 -3.458 3.464 1.00 0.00 C ATOM 1504 C VAL A 97 -4.498 -3.978 3.758 1.00 0.00 C ATOM 1505 O VAL A 97 -5.449 -3.227 3.980 1.00 0.00 O ATOM 1506 CB VAL A 97 -2.355 -3.174 4.762 1.00 0.00 C ATOM 1507 CG1 VAL A 97 -2.151 -4.469 5.534 1.00 0.00 C ATOM 1508 CG2 VAL A 97 -1.001 -2.526 4.465 1.00 0.00 C ATOM 0 H VAL A 97 -3.537 -1.465 3.065 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.552 -4.229 2.927 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.947 -2.485 5.365 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.615 -4.260 6.460 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.120 -4.910 5.767 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.572 -5.166 4.929 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.478 -2.330 5.401 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.403 -3.198 3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.156 -1.588 3.932 1.00 0.00 H new ATOM 1518 N TYR A 98 -4.650 -5.294 3.729 1.00 0.00 N ATOM 1519 CA TYR A 98 -5.929 -5.960 3.919 1.00 0.00 C ATOM 1520 C TYR A 98 -5.724 -7.307 4.592 1.00 0.00 C ATOM 1521 O TYR A 98 -4.779 -8.028 4.297 1.00 0.00 O ATOM 1522 CB TYR A 98 -6.679 -6.114 2.591 1.00 0.00 C ATOM 1523 CG TYR A 98 -5.843 -6.470 1.381 1.00 0.00 C ATOM 1524 CD1 TYR A 98 -4.900 -5.562 0.860 1.00 0.00 C ATOM 1525 CD2 TYR A 98 -6.012 -7.718 0.776 1.00 0.00 C ATOM 1526 CE1 TYR A 98 -4.084 -5.922 -0.218 1.00 0.00 C ATOM 1527 CE2 TYR A 98 -5.248 -8.058 -0.351 1.00 0.00 C ATOM 1528 CZ TYR A 98 -4.283 -7.161 -0.837 1.00 0.00 C ATOM 1529 OH TYR A 98 -3.524 -7.502 -1.890 1.00 0.00 O ATOM 0 H TYR A 98 -3.876 -5.939 3.570 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.545 -5.339 4.569 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.442 -6.883 2.717 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -7.200 -5.179 2.383 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -4.806 -4.579 1.297 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -6.729 -8.420 1.175 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.311 -5.253 -0.567 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -5.402 -9.007 -0.843 1.00 0.00 H new ATOM 0 HH TYR A 98 -3.868 -8.329 -2.287 1.00 0.00 H new ATOM 1539 N ALA A 99 -6.625 -7.642 5.508 1.00 0.00 N ATOM 1540 CA ALA A 99 -6.581 -8.915 6.208 1.00 0.00 C ATOM 1541 C ALA A 99 -7.298 -10.012 5.418 1.00 0.00 C ATOM 1542 O ALA A 99 -8.217 -9.738 4.642 1.00 0.00 O ATOM 1543 CB ALA A 99 -7.167 -8.739 7.612 1.00 0.00 C ATOM 0 H ALA A 99 -7.402 -7.041 5.784 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.544 -9.237 6.303 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.136 -9.691 8.141 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.582 -8.000 8.160 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.200 -8.400 7.535 1.00 0.00 H new ATOM 1549 N ASN A 100 -6.899 -11.260 5.659 1.00 0.00 N ATOM 1550 CA ASN A 100 -7.536 -12.424 5.072 1.00 0.00 C ATOM 1551 C ASN A 100 -8.781 -12.821 5.874 1.00 0.00 C ATOM 1552 O ASN A 100 -8.751 -13.725 6.703 1.00 0.00 O ATOM 1553 CB ASN A 100 -6.508 -13.566 4.926 1.00 0.00 C ATOM 1554 CG ASN A 100 -7.165 -14.916 4.689 1.00 0.00 C ATOM 1555 OD1 ASN A 100 -6.814 -15.931 5.254 1.00 0.00 O ATOM 1556 ND2 ASN A 100 -8.168 -14.971 3.843 1.00 0.00 N ATOM 0 H ASN A 100 -6.117 -11.487 6.273 1.00 0.00 H new ATOM 0 HA ASN A 100 -7.889 -12.187 4.068 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -5.837 -13.342 4.097 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -5.896 -13.617 5.827 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -8.640 -15.858 3.669 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -8.475 -14.127 3.360 1.00 0.00 H new ATOM 1563 N SER A 101 -9.907 -12.176 5.595 1.00 0.00 N ATOM 1564 CA SER A 101 -11.170 -12.526 6.239 1.00 0.00 C ATOM 1565 C SER A 101 -12.012 -13.375 5.295 1.00 0.00 C ATOM 1566 O SER A 101 -12.854 -12.861 4.562 1.00 0.00 O ATOM 1567 CB SER A 101 -11.890 -11.259 6.675 1.00 0.00 C ATOM 1568 OG SER A 101 -12.960 -11.624 7.520 1.00 0.00 O ATOM 0 H SER A 101 -9.973 -11.408 4.927 1.00 0.00 H new ATOM 0 HA SER A 101 -10.984 -13.121 7.133 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.203 -10.593 7.198 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.261 -10.715 5.806 1.00 0.00 H new ATOM 0 HG SER A 101 -13.435 -10.818 7.812 1.00 0.00 H new ATOM 1574 N ARG A 102 -11.754 -14.694 5.257 1.00 0.00 N ATOM 1575 CA ARG A 102 -12.512 -15.627 4.388 1.00 0.00 C ATOM 1576 C ARG A 102 -12.396 -15.265 2.900 1.00 0.00 C ATOM 1577 O ARG A 102 -13.361 -15.331 2.148 1.00 0.00 O ATOM 1578 CB ARG A 102 -13.994 -15.675 4.858 1.00 0.00 C ATOM 1579 CG ARG A 102 -14.237 -16.674 5.982 1.00 0.00 C ATOM 1580 CD ARG A 102 -14.424 -18.059 5.365 1.00 0.00 C ATOM 1581 NE ARG A 102 -14.499 -19.100 6.399 1.00 0.00 N ATOM 1582 CZ ARG A 102 -14.228 -20.379 6.218 1.00 0.00 C ATOM 1583 NH1 ARG A 102 -13.859 -20.828 5.050 1.00 0.00 N ATOM 1584 NH2 ARG A 102 -14.322 -21.221 7.205 1.00 0.00 N ATOM 0 H ARG A 102 -11.028 -15.143 5.815 1.00 0.00 H new ATOM 0 HA ARG A 102 -12.075 -16.621 4.484 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -14.294 -14.682 5.192 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -14.629 -15.931 4.010 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -13.395 -16.678 6.674 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -15.120 -16.392 6.556 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -15.335 -18.072 4.766 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -13.595 -18.273 4.690 1.00 0.00 H new ATOM 0 HE ARG A 102 -14.784 -18.810 7.334 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -13.776 -20.188 4.260 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -13.653 -21.819 4.927 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -14.607 -20.895 8.128 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -14.111 -22.208 7.056 1.00 0.00 H new ATOM 1598 N GLY A 103 -11.205 -14.864 2.465 1.00 0.00 N ATOM 1599 CA GLY A 103 -10.983 -14.432 1.081 1.00 0.00 C ATOM 1600 C GLY A 103 -11.395 -12.978 0.817 1.00 0.00 C ATOM 1601 O GLY A 103 -10.778 -12.295 0.002 1.00 0.00 O ATOM 0 H GLY A 103 -10.372 -14.828 3.052 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -9.927 -14.552 0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.541 -15.086 0.411 1.00 0.00 H new ATOM 1605 N ALA A 104 -12.408 -12.475 1.525 1.00 0.00 N ATOM 1606 CA ALA A 104 -12.796 -11.078 1.455 1.00 0.00 C ATOM 1607 C ALA A 104 -11.786 -10.182 2.182 1.00 0.00 C ATOM 1608 O ALA A 104 -11.233 -10.524 3.232 1.00 0.00 O ATOM 1609 CB ALA A 104 -14.213 -10.915 2.013 1.00 0.00 C ATOM 0 H ALA A 104 -12.979 -13.031 2.162 1.00 0.00 H new ATOM 0 HA ALA A 104 -12.797 -10.759 0.413 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -14.506 -9.866 1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -14.907 -11.515 1.425 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -14.236 -11.247 3.051 1.00 0.00 H new ATOM 1615 N VAL A 105 -11.561 -9.008 1.601 1.00 0.00 N ATOM 1616 CA VAL A 105 -10.650 -8.005 2.136 1.00 0.00 C ATOM 1617 C VAL A 105 -11.427 -7.041 3.018 1.00 0.00 C ATOM 1618 O VAL A 105 -12.549 -6.659 2.698 1.00 0.00 O ATOM 1619 CB VAL A 105 -9.917 -7.262 1.000 1.00 0.00 C ATOM 1620 CG1 VAL A 105 -9.361 -8.239 -0.047 1.00 0.00 C ATOM 1621 CG2 VAL A 105 -10.752 -6.176 0.313 1.00 0.00 C ATOM 0 H VAL A 105 -12.014 -8.723 0.732 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.888 -8.498 2.739 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.092 -6.749 1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.851 -7.680 -0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -8.656 -8.920 0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -10.180 -8.811 -0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -10.161 -5.705 -0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -11.644 -6.625 -0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -11.046 -5.425 1.046 1.00 0.00 H new ATOM 1631 N GLN A 106 -10.808 -6.591 4.100 1.00 0.00 N ATOM 1632 CA GLN A 106 -11.434 -5.621 5.002 1.00 0.00 C ATOM 1633 C GLN A 106 -10.797 -4.243 4.908 1.00 0.00 C ATOM 1634 O GLN A 106 -10.942 -3.479 5.852 1.00 0.00 O ATOM 1635 CB GLN A 106 -11.452 -6.178 6.428 1.00 0.00 C ATOM 1636 CG GLN A 106 -10.056 -6.209 7.065 1.00 0.00 C ATOM 1637 CD GLN A 106 -10.086 -6.923 8.396 1.00 0.00 C ATOM 1638 OE1 GLN A 106 -10.173 -8.135 8.475 1.00 0.00 O ATOM 1639 NE2 GLN A 106 -9.987 -6.199 9.484 1.00 0.00 N ATOM 0 H GLN A 106 -9.871 -6.880 4.379 1.00 0.00 H new ATOM 0 HA GLN A 106 -12.467 -5.473 4.688 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -12.115 -5.570 7.044 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.864 -7.187 6.415 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.357 -6.710 6.395 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.692 -5.191 7.202 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -9.914 -5.184 9.416 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.983 -6.651 10.399 1.00 0.00 H new ATOM 1648 N TYR A 107 -10.055 -3.965 3.822 1.00 0.00 N ATOM 1649 CA TYR A 107 -9.282 -2.729 3.655 1.00 0.00 C ATOM 1650 C TYR A 107 -8.669 -2.300 5.000 1.00 0.00 C ATOM 1651 O TYR A 107 -8.985 -1.250 5.538 1.00 0.00 O ATOM 1652 CB TYR A 107 -10.203 -1.656 3.049 1.00 0.00 C ATOM 1653 CG TYR A 107 -9.633 -0.252 3.059 1.00 0.00 C ATOM 1654 CD1 TYR A 107 -8.417 0.019 2.408 1.00 0.00 C ATOM 1655 CD2 TYR A 107 -10.241 0.740 3.858 1.00 0.00 C ATOM 1656 CE1 TYR A 107 -7.831 1.293 2.517 1.00 0.00 C ATOM 1657 CE2 TYR A 107 -9.652 2.008 3.978 1.00 0.00 C ATOM 1658 CZ TYR A 107 -8.459 2.292 3.294 1.00 0.00 C ATOM 1659 OH TYR A 107 -7.939 3.538 3.384 1.00 0.00 O ATOM 0 H TYR A 107 -9.976 -4.601 3.029 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.446 -2.883 2.972 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -10.432 -1.933 2.020 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -11.146 -1.655 3.596 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.933 -0.750 1.825 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -11.162 0.523 4.378 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.903 1.507 2.008 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -10.115 2.764 4.595 1.00 0.00 H new ATOM 0 HH TYR A 107 -8.508 4.089 3.961 1.00 0.00 H new ATOM 1669 N CYS A 108 -7.860 -3.179 5.604 1.00 0.00 N ATOM 1670 CA CYS A 108 -7.223 -2.901 6.896 1.00 0.00 C ATOM 1671 C CYS A 108 -6.664 -1.472 6.987 1.00 0.00 C ATOM 1672 O CYS A 108 -6.747 -0.839 8.037 1.00 0.00 O ATOM 1673 CB CYS A 108 -6.093 -3.901 7.130 1.00 0.00 C ATOM 1674 SG CYS A 108 -5.250 -3.667 8.702 1.00 0.00 S ATOM 0 H CYS A 108 -7.630 -4.094 5.215 1.00 0.00 H new ATOM 0 HA CYS A 108 -7.991 -2.999 7.663 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -6.498 -4.912 7.090 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -5.368 -3.815 6.321 1.00 0.00 H new ATOM 1679 N GLY A 109 -6.143 -0.975 5.866 1.00 0.00 N ATOM 1680 CA GLY A 109 -5.740 0.403 5.690 1.00 0.00 C ATOM 1681 C GLY A 109 -4.597 0.490 4.699 1.00 0.00 C ATOM 1682 O GLY A 109 -3.880 -0.467 4.456 1.00 0.00 O ATOM 0 H GLY A 109 -5.989 -1.545 5.034 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.584 0.994 5.336 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.434 0.826 6.647 1.00 0.00 H new ATOM 1686 N VAL A 110 -4.389 1.648 4.110 1.00 0.00 N ATOM 1687 CA VAL A 110 -3.240 1.915 3.238 1.00 0.00 C ATOM 1688 C VAL A 110 -2.085 2.507 4.020 1.00 0.00 C ATOM 1689 O VAL A 110 -2.287 3.212 4.996 1.00 0.00 O ATOM 1690 CB VAL A 110 -3.638 2.861 2.095 1.00 0.00 C ATOM 1691 CG1 VAL A 110 -4.122 2.032 0.918 1.00 0.00 C ATOM 1692 CG2 VAL A 110 -4.763 3.822 2.486 1.00 0.00 C ATOM 0 H VAL A 110 -5.014 2.447 4.217 1.00 0.00 H new ATOM 0 HA VAL A 110 -2.917 0.964 2.815 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.757 3.453 1.846 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.407 2.693 0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -3.323 1.369 0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -4.984 1.438 1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -5.002 4.466 1.640 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.647 3.251 2.769 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.442 4.435 3.328 1.00 0.00 H new ATOM 1702 N MET A 111 -0.864 2.251 3.576 1.00 0.00 N ATOM 1703 CA MET A 111 0.359 2.815 4.143 1.00 0.00 C ATOM 1704 C MET A 111 1.217 3.441 3.063 1.00 0.00 C ATOM 1705 O MET A 111 0.956 3.260 1.880 1.00 0.00 O ATOM 1706 CB MET A 111 1.151 1.739 4.892 1.00 0.00 C ATOM 1707 CG MET A 111 1.496 0.532 4.008 1.00 0.00 C ATOM 1708 SD MET A 111 1.990 -0.917 4.954 1.00 0.00 S ATOM 1709 CE MET A 111 2.401 -2.066 3.612 1.00 0.00 C ATOM 0 H MET A 111 -0.688 1.627 2.788 1.00 0.00 H new ATOM 0 HA MET A 111 0.074 3.595 4.850 1.00 0.00 H new ATOM 0 HB2 MET A 111 2.072 2.175 5.279 1.00 0.00 H new ATOM 0 HB3 MET A 111 0.573 1.401 5.752 1.00 0.00 H new ATOM 0 HG2 MET A 111 0.632 0.280 3.394 1.00 0.00 H new ATOM 0 HG3 MET A 111 2.302 0.806 3.327 1.00 0.00 H new ATOM 0 HE1 MET A 111 2.843 -2.970 4.030 1.00 0.00 H new ATOM 0 HE2 MET A 111 1.495 -2.325 3.064 1.00 0.00 H new ATOM 0 HE3 MET A 111 3.112 -1.594 2.934 1.00 0.00 H new ATOM 1719 N THR A 112 2.287 4.117 3.451 1.00 0.00 N ATOM 1720 CA THR A 112 3.234 4.782 2.578 1.00 0.00 C ATOM 1721 C THR A 112 4.588 4.931 3.236 1.00 0.00 C ATOM 1722 O THR A 112 4.719 5.075 4.442 1.00 0.00 O ATOM 1723 CB THR A 112 2.717 6.157 2.175 1.00 0.00 C ATOM 1724 OG1 THR A 112 3.503 6.584 1.088 1.00 0.00 O ATOM 1725 CG2 THR A 112 2.814 7.239 3.237 1.00 0.00 C ATOM 0 H THR A 112 2.528 4.220 4.437 1.00 0.00 H new ATOM 0 HA THR A 112 3.346 4.159 1.691 1.00 0.00 H new ATOM 0 HB THR A 112 1.655 6.032 1.964 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.202 7.469 0.794 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.418 8.174 2.841 1.00 0.00 H new ATOM 0 HG22 THR A 112 2.237 6.942 4.113 1.00 0.00 H new ATOM 0 HG23 THR A 112 3.857 7.378 3.520 1.00 0.00 H new ATOM 1733 N HIS A 113 5.640 4.877 2.439 1.00 0.00 N ATOM 1734 CA HIS A 113 6.988 5.077 2.955 1.00 0.00 C ATOM 1735 C HIS A 113 7.196 6.522 3.399 1.00 0.00 C ATOM 1736 O HIS A 113 6.644 7.438 2.803 1.00 0.00 O ATOM 1737 CB HIS A 113 8.005 4.702 1.883 1.00 0.00 C ATOM 1738 CG HIS A 113 7.790 3.353 1.247 1.00 0.00 C ATOM 1739 ND1 HIS A 113 8.344 2.952 0.055 1.00 0.00 N ATOM 1740 CD2 HIS A 113 6.991 2.345 1.689 1.00 0.00 C ATOM 1741 CE1 HIS A 113 7.934 1.706 -0.224 1.00 0.00 C ATOM 1742 NE2 HIS A 113 7.065 1.353 0.734 1.00 0.00 N ATOM 0 H HIS A 113 5.591 4.697 1.436 1.00 0.00 H new ATOM 0 HA HIS A 113 7.126 4.436 3.826 1.00 0.00 H new ATOM 0 HB2 HIS A 113 7.985 5.463 1.102 1.00 0.00 H new ATOM 0 HB3 HIS A 113 9.001 4.724 2.325 1.00 0.00 H new ATOM 0 HD2 HIS A 113 6.415 2.325 2.603 1.00 0.00 H new ATOM 0 HE1 HIS A 113 8.245 1.101 -1.063 1.00 0.00 H new ATOM 0 HE2 HIS A 113 6.537 0.480 0.754 1.00 0.00 H new ATOM 1751 N SER A 114 8.092 6.704 4.363 1.00 0.00 N ATOM 1752 CA SER A 114 8.434 8.034 4.848 1.00 0.00 C ATOM 1753 C SER A 114 9.460 8.676 3.940 1.00 0.00 C ATOM 1754 O SER A 114 9.322 9.829 3.625 1.00 0.00 O ATOM 1755 CB SER A 114 8.962 7.982 6.277 1.00 0.00 C ATOM 1756 OG SER A 114 8.887 9.271 6.841 1.00 0.00 O ATOM 0 H SER A 114 8.595 5.945 4.824 1.00 0.00 H new ATOM 0 HA SER A 114 7.525 8.636 4.843 1.00 0.00 H new ATOM 0 HB2 SER A 114 8.378 7.278 6.869 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.993 7.627 6.285 1.00 0.00 H new ATOM 0 HG SER A 114 8.308 9.249 7.632 1.00 0.00 H new ATOM 1762 N LYS A 115 10.471 7.949 3.451 1.00 0.00 N ATOM 1763 CA LYS A 115 11.516 8.512 2.583 1.00 0.00 C ATOM 1764 C LYS A 115 11.104 8.495 1.117 1.00 0.00 C ATOM 1765 O LYS A 115 11.199 7.442 0.498 1.00 0.00 O ATOM 1766 CB LYS A 115 12.812 7.719 2.784 1.00 0.00 C ATOM 1767 CG LYS A 115 14.046 8.578 2.487 1.00 0.00 C ATOM 1768 CD LYS A 115 14.348 9.564 3.622 1.00 0.00 C ATOM 1769 CE LYS A 115 15.175 8.917 4.750 1.00 0.00 C ATOM 1770 NZ LYS A 115 14.363 8.064 5.669 1.00 0.00 N ATOM 0 H LYS A 115 10.589 6.955 3.645 1.00 0.00 H new ATOM 0 HA LYS A 115 11.671 9.555 2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.860 7.352 3.809 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.810 6.845 2.133 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.909 7.931 2.330 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.889 9.130 1.560 1.00 0.00 H new ATOM 0 HD2 LYS A 115 14.890 10.421 3.222 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.411 9.942 4.031 1.00 0.00 H new ATOM 0 HE2 LYS A 115 15.966 8.311 4.308 1.00 0.00 H new ATOM 0 HE3 LYS A 115 15.661 9.702 5.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.786 8.077 6.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.392 8.433 5.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 14.345 7.088 5.311 1.00 0.00 H new ATOM 1784 N VAL A 116 10.682 9.620 0.557 1.00 0.00 N ATOM 1785 CA VAL A 116 10.249 9.696 -0.843 1.00 0.00 C ATOM 1786 C VAL A 116 10.880 10.886 -1.546 1.00 0.00 C ATOM 1787 O VAL A 116 10.229 11.881 -1.786 1.00 0.00 O ATOM 1788 CB VAL A 116 8.713 9.739 -0.955 1.00 0.00 C ATOM 1789 CG1 VAL A 116 8.091 8.375 -0.664 1.00 0.00 C ATOM 1790 CG2 VAL A 116 8.068 10.763 -0.013 1.00 0.00 C ATOM 0 H VAL A 116 10.628 10.509 1.055 1.00 0.00 H new ATOM 0 HA VAL A 116 10.591 8.790 -1.343 1.00 0.00 H new ATOM 0 HB VAL A 116 8.515 10.036 -1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 116 7.007 8.443 -0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 116 8.468 7.643 -1.379 1.00 0.00 H new ATOM 0 HG13 VAL A 116 8.354 8.063 0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 116 6.986 10.744 -0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 116 8.316 10.515 1.019 1.00 0.00 H new ATOM 0 HG23 VAL A 116 8.443 11.759 -0.247 1.00 0.00 H new ATOM 1800 N ASP A 117 12.143 10.790 -1.927 1.00 0.00 N ATOM 1801 CA ASP A 117 12.848 11.846 -2.645 1.00 0.00 C ATOM 1802 C ASP A 117 12.176 12.190 -3.986 1.00 0.00 C ATOM 1803 O ASP A 117 11.491 13.200 -4.143 1.00 0.00 O ATOM 1804 CB ASP A 117 14.312 11.403 -2.829 1.00 0.00 C ATOM 1805 CG ASP A 117 14.484 9.934 -3.281 1.00 0.00 C ATOM 1806 OD1 ASP A 117 14.121 8.998 -2.521 1.00 0.00 O ATOM 1807 OD2 ASP A 117 14.834 9.728 -4.463 1.00 0.00 O ATOM 0 H ASP A 117 12.717 9.967 -1.745 1.00 0.00 H new ATOM 0 HA ASP A 117 12.813 12.767 -2.062 1.00 0.00 H new ATOM 0 HB2 ASP A 117 14.786 12.054 -3.564 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.843 11.545 -1.888 1.00 0.00 H new ATOM 1812 N LYS A 118 12.366 11.321 -4.978 1.00 0.00 N ATOM 1813 CA LYS A 118 11.802 11.478 -6.315 1.00 0.00 C ATOM 1814 C LYS A 118 11.213 10.182 -6.804 1.00 0.00 C ATOM 1815 O LYS A 118 10.121 10.181 -7.363 1.00 0.00 O ATOM 1816 CB LYS A 118 12.904 11.977 -7.258 1.00 0.00 C ATOM 1817 CG LYS A 118 12.502 11.914 -8.749 1.00 0.00 C ATOM 1818 CD LYS A 118 11.546 13.050 -9.130 1.00 0.00 C ATOM 1819 CE LYS A 118 12.353 14.314 -9.437 1.00 0.00 C ATOM 1820 NZ LYS A 118 11.471 15.488 -9.633 1.00 0.00 N ATOM 0 H LYS A 118 12.926 10.475 -4.872 1.00 0.00 H new ATOM 0 HA LYS A 118 10.993 12.208 -6.288 1.00 0.00 H new ATOM 0 HB2 LYS A 118 13.157 13.005 -6.999 1.00 0.00 H new ATOM 0 HB3 LYS A 118 13.803 11.380 -7.105 1.00 0.00 H new ATOM 0 HG2 LYS A 118 13.397 11.969 -9.369 1.00 0.00 H new ATOM 0 HG3 LYS A 118 12.028 10.955 -8.957 1.00 0.00 H new ATOM 0 HD2 LYS A 118 10.953 12.764 -9.999 1.00 0.00 H new ATOM 0 HD3 LYS A 118 10.847 13.240 -8.315 1.00 0.00 H new ATOM 0 HE2 LYS A 118 13.047 14.511 -8.620 1.00 0.00 H new ATOM 0 HE3 LYS A 118 12.953 14.155 -10.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 12.050 16.327 -9.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 10.826 15.309 -10.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 10.917 15.654 -8.769 1.00 0.00 H new ATOM 1834 N ASN A 119 11.952 9.086 -6.632 1.00 0.00 N ATOM 1835 CA ASN A 119 11.487 7.776 -7.057 1.00 0.00 C ATOM 1836 C ASN A 119 10.420 7.223 -6.121 1.00 0.00 C ATOM 1837 O ASN A 119 9.713 6.299 -6.490 1.00 0.00 O ATOM 1838 CB ASN A 119 12.672 6.823 -7.123 1.00 0.00 C ATOM 1839 CG ASN A 119 12.435 5.706 -8.107 1.00 0.00 C ATOM 1840 OD1 ASN A 119 12.177 4.578 -7.746 1.00 0.00 O ATOM 1841 ND2 ASN A 119 12.535 6.015 -9.377 1.00 0.00 N ATOM 0 H ASN A 119 12.876 9.085 -6.200 1.00 0.00 H new ATOM 0 HA ASN A 119 11.033 7.876 -8.043 1.00 0.00 H new ATOM 0 HB2 ASN A 119 13.568 7.375 -7.408 1.00 0.00 H new ATOM 0 HB3 ASN A 119 12.857 6.404 -6.134 1.00 0.00 H new ATOM 0 HD21 ASN A 119 12.395 5.298 -10.089 1.00 0.00 H new ATOM 0 HD22 ASN A 119 12.753 6.972 -9.653 1.00 0.00 H new ATOM 1848 N ASN A 120 10.247 7.818 -4.936 1.00 0.00 N ATOM 1849 CA ASN A 120 9.245 7.409 -3.959 1.00 0.00 C ATOM 1850 C ASN A 120 9.605 6.027 -3.374 1.00 0.00 C ATOM 1851 O ASN A 120 8.756 5.176 -3.130 1.00 0.00 O ATOM 1852 CB ASN A 120 7.836 7.480 -4.582 1.00 0.00 C ATOM 1853 CG ASN A 120 7.536 8.722 -5.382 1.00 0.00 C ATOM 1854 OD1 ASN A 120 7.047 9.712 -4.870 1.00 0.00 O ATOM 1855 ND2 ASN A 120 7.782 8.669 -6.666 1.00 0.00 N ATOM 0 H ASN A 120 10.811 8.610 -4.628 1.00 0.00 H new ATOM 0 HA ASN A 120 9.237 8.099 -3.116 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.700 6.613 -5.228 1.00 0.00 H new ATOM 0 HB3 ASN A 120 7.101 7.399 -3.782 1.00 0.00 H new ATOM 0 HD21 ASN A 120 7.563 9.468 -7.261 1.00 0.00 H new ATOM 0 HD22 ASN A 120 8.192 7.828 -7.072 1.00 0.00 H new ATOM 1862 N GLN A 121 10.896 5.752 -3.189 1.00 0.00 N ATOM 1863 CA GLN A 121 11.338 4.467 -2.656 1.00 0.00 C ATOM 1864 C GLN A 121 10.955 4.304 -1.180 1.00 0.00 C ATOM 1865 O GLN A 121 10.266 5.122 -0.586 1.00 0.00 O ATOM 1866 CB GLN A 121 12.846 4.319 -2.875 1.00 0.00 C ATOM 1867 CG GLN A 121 13.180 4.126 -4.365 1.00 0.00 C ATOM 1868 CD GLN A 121 13.082 2.667 -4.800 1.00 0.00 C ATOM 1869 OE1 GLN A 121 12.364 2.267 -5.691 1.00 0.00 O ATOM 1870 NE2 GLN A 121 13.779 1.787 -4.121 1.00 0.00 N ATOM 0 H GLN A 121 11.652 6.403 -3.401 1.00 0.00 H new ATOM 0 HA GLN A 121 10.827 3.667 -3.192 1.00 0.00 H new ATOM 0 HB2 GLN A 121 13.359 5.204 -2.497 1.00 0.00 H new ATOM 0 HB3 GLN A 121 13.216 3.468 -2.304 1.00 0.00 H new ATOM 0 HG2 GLN A 121 12.500 4.728 -4.968 1.00 0.00 H new ATOM 0 HG3 GLN A 121 14.188 4.493 -4.559 1.00 0.00 H new ATOM 0 HE21 GLN A 121 14.392 2.095 -3.366 1.00 0.00 H new ATOM 0 HE22 GLN A 121 13.708 0.795 -4.348 1.00 0.00 H new ATOM 1879 N GLY A 122 11.297 3.171 -0.570 1.00 0.00 N ATOM 1880 CA GLY A 122 11.059 2.935 0.857 1.00 0.00 C ATOM 1881 C GLY A 122 12.322 2.660 1.607 1.00 0.00 C ATOM 1882 O GLY A 122 12.898 1.596 1.429 1.00 0.00 O ATOM 0 H GLY A 122 11.746 2.390 -1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 122 10.565 3.805 1.289 1.00 0.00 H new ATOM 0 HA3 GLY A 122 10.379 2.091 0.975 1.00 0.00 H new ATOM 1886 N LYS A 123 12.765 3.645 2.388 1.00 0.00 N ATOM 1887 CA LYS A 123 13.979 3.514 3.198 1.00 0.00 C ATOM 1888 C LYS A 123 13.654 3.288 4.664 1.00 0.00 C ATOM 1889 O LYS A 123 14.252 2.433 5.292 1.00 0.00 O ATOM 1890 CB LYS A 123 14.872 4.749 3.040 1.00 0.00 C ATOM 1891 CG LYS A 123 15.226 5.058 1.575 1.00 0.00 C ATOM 1892 CD LYS A 123 16.505 4.339 1.149 1.00 0.00 C ATOM 1893 CE LYS A 123 16.492 4.064 -0.356 1.00 0.00 C ATOM 1894 NZ LYS A 123 17.031 5.204 -1.145 1.00 0.00 N ATOM 0 H LYS A 123 12.299 4.548 2.478 1.00 0.00 H new ATOM 0 HA LYS A 123 14.518 2.639 2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 123 14.368 5.612 3.475 1.00 0.00 H new ATOM 0 HB3 LYS A 123 15.792 4.599 3.605 1.00 0.00 H new ATOM 0 HG2 LYS A 123 14.403 4.754 0.928 1.00 0.00 H new ATOM 0 HG3 LYS A 123 15.351 6.133 1.448 1.00 0.00 H new ATOM 0 HD2 LYS A 123 17.373 4.946 1.406 1.00 0.00 H new ATOM 0 HD3 LYS A 123 16.600 3.400 1.695 1.00 0.00 H new ATOM 0 HE2 LYS A 123 17.081 3.171 -0.565 1.00 0.00 H new ATOM 0 HE3 LYS A 123 15.471 3.855 -0.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 17.001 4.970 -2.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 16.455 6.052 -0.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 18.014 5.389 -0.861 1.00 0.00 H new ATOM 1908 N GLU A 124 12.755 4.108 5.198 1.00 0.00 N ATOM 1909 CA GLU A 124 12.274 3.973 6.574 1.00 0.00 C ATOM 1910 C GLU A 124 11.033 3.076 6.658 1.00 0.00 C ATOM 1911 O GLU A 124 10.555 2.567 5.638 1.00 0.00 O ATOM 1912 CB GLU A 124 12.005 5.371 7.151 1.00 0.00 C ATOM 1913 CG GLU A 124 12.570 5.498 8.568 1.00 0.00 C ATOM 1914 CD GLU A 124 12.470 6.953 9.014 1.00 0.00 C ATOM 1915 OE1 GLU A 124 13.359 7.724 8.556 1.00 0.00 O ATOM 1916 OE2 GLU A 124 11.472 7.293 9.672 1.00 0.00 O ATOM 0 H GLU A 124 12.337 4.887 4.690 1.00 0.00 H new ATOM 0 HA GLU A 124 13.043 3.484 7.172 1.00 0.00 H new ATOM 0 HB2 GLU A 124 12.455 6.127 6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 124 10.932 5.562 7.165 1.00 0.00 H new ATOM 0 HG2 GLU A 124 12.017 4.855 9.253 1.00 0.00 H new ATOM 0 HG3 GLU A 124 13.609 5.168 8.590 1.00 0.00 H new ATOM 1923 N PHE A 125 10.517 2.915 7.876 1.00 0.00 N ATOM 1924 CA PHE A 125 9.276 2.196 8.134 1.00 0.00 C ATOM 1925 C PHE A 125 8.099 2.732 7.295 1.00 0.00 C ATOM 1926 O PHE A 125 8.136 3.820 6.704 1.00 0.00 O ATOM 1927 CB PHE A 125 8.940 2.232 9.635 1.00 0.00 C ATOM 1928 CG PHE A 125 8.268 3.512 10.089 1.00 0.00 C ATOM 1929 CD1 PHE A 125 8.969 4.729 10.038 1.00 0.00 C ATOM 1930 CD2 PHE A 125 6.926 3.497 10.514 1.00 0.00 C ATOM 1931 CE1 PHE A 125 8.355 5.920 10.439 1.00 0.00 C ATOM 1932 CE2 PHE A 125 6.312 4.691 10.929 1.00 0.00 C ATOM 1933 CZ PHE A 125 7.037 5.896 10.916 1.00 0.00 C ATOM 0 H PHE A 125 10.956 3.285 8.719 1.00 0.00 H new ATOM 0 HA PHE A 125 9.432 1.161 7.830 1.00 0.00 H new ATOM 0 HB2 PHE A 125 8.290 1.390 9.871 1.00 0.00 H new ATOM 0 HB3 PHE A 125 9.859 2.095 10.205 1.00 0.00 H new ATOM 0 HD1 PHE A 125 9.990 4.745 9.686 1.00 0.00 H new ATOM 0 HD2 PHE A 125 6.370 2.571 10.521 1.00 0.00 H new ATOM 0 HE1 PHE A 125 8.894 6.854 10.381 1.00 0.00 H new ATOM 0 HE2 PHE A 125 5.283 4.683 11.258 1.00 0.00 H new ATOM 0 HZ PHE A 125 6.577 6.805 11.274 1.00 0.00 H new ATOM 1943 N PHE A 126 7.032 1.941 7.250 1.00 0.00 N ATOM 1944 CA PHE A 126 5.852 2.266 6.470 1.00 0.00 C ATOM 1945 C PHE A 126 4.878 3.020 7.362 1.00 0.00 C ATOM 1946 O PHE A 126 4.366 2.516 8.364 1.00 0.00 O ATOM 1947 CB PHE A 126 5.244 1.002 5.870 1.00 0.00 C ATOM 1948 CG PHE A 126 6.013 0.411 4.708 1.00 0.00 C ATOM 1949 CD1 PHE A 126 7.398 0.172 4.790 1.00 0.00 C ATOM 1950 CD2 PHE A 126 5.326 0.048 3.539 1.00 0.00 C ATOM 1951 CE1 PHE A 126 8.094 -0.389 3.715 1.00 0.00 C ATOM 1952 CE2 PHE A 126 6.005 -0.587 2.491 1.00 0.00 C ATOM 1953 CZ PHE A 126 7.395 -0.795 2.571 1.00 0.00 C ATOM 0 H PHE A 126 6.965 1.057 7.755 1.00 0.00 H new ATOM 0 HA PHE A 126 6.112 2.907 5.628 1.00 0.00 H new ATOM 0 HB2 PHE A 126 5.163 0.249 6.654 1.00 0.00 H new ATOM 0 HB3 PHE A 126 4.230 1.227 5.538 1.00 0.00 H new ATOM 0 HD1 PHE A 126 7.930 0.425 5.695 1.00 0.00 H new ATOM 0 HD2 PHE A 126 4.271 0.259 3.447 1.00 0.00 H new ATOM 0 HE1 PHE A 126 9.166 -0.509 3.766 1.00 0.00 H new ATOM 0 HE2 PHE A 126 5.460 -0.918 1.619 1.00 0.00 H new ATOM 0 HZ PHE A 126 7.921 -1.266 1.753 1.00 0.00 H new ATOM 1963 N GLU A 127 4.649 4.277 7.030 1.00 0.00 N ATOM 1964 CA GLU A 127 3.710 5.130 7.727 1.00 0.00 C ATOM 1965 C GLU A 127 2.315 4.951 7.147 1.00 0.00 C ATOM 1966 O GLU A 127 2.107 5.057 5.946 1.00 0.00 O ATOM 1967 CB GLU A 127 4.133 6.597 7.656 1.00 0.00 C ATOM 1968 CG GLU A 127 5.624 6.795 7.966 1.00 0.00 C ATOM 1969 CD GLU A 127 5.931 8.201 8.496 1.00 0.00 C ATOM 1970 OE1 GLU A 127 5.188 9.123 8.116 1.00 0.00 O ATOM 1971 OE2 GLU A 127 6.929 8.369 9.229 1.00 0.00 O ATOM 0 H GLU A 127 5.120 4.741 6.253 1.00 0.00 H new ATOM 0 HA GLU A 127 3.700 4.838 8.777 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.917 6.986 6.661 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.538 7.178 8.361 1.00 0.00 H new ATOM 0 HG2 GLU A 127 5.940 6.056 8.702 1.00 0.00 H new ATOM 0 HG3 GLU A 127 6.207 6.615 7.063 1.00 0.00 H new ATOM 1978 N LYS A 128 1.336 4.636 7.989 1.00 0.00 N ATOM 1979 CA LYS A 128 -0.073 4.495 7.583 1.00 0.00 C ATOM 1980 C LYS A 128 -0.559 5.768 6.878 1.00 0.00 C ATOM 1981 O LYS A 128 -0.016 6.847 7.110 1.00 0.00 O ATOM 1982 CB LYS A 128 -0.974 4.211 8.786 1.00 0.00 C ATOM 1983 CG LYS A 128 -0.474 3.042 9.630 1.00 0.00 C ATOM 1984 CD LYS A 128 -0.802 3.257 11.100 1.00 0.00 C ATOM 1985 CE LYS A 128 0.064 4.349 11.732 1.00 0.00 C ATOM 1986 NZ LYS A 128 1.395 3.835 12.163 1.00 0.00 N ATOM 0 H LYS A 128 1.492 4.468 8.983 1.00 0.00 H new ATOM 0 HA LYS A 128 -0.131 3.651 6.896 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -1.035 5.104 9.408 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -1.984 3.996 8.436 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -0.931 2.115 9.283 1.00 0.00 H new ATOM 0 HG3 LYS A 128 0.603 2.932 9.505 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -1.853 3.526 11.200 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -0.659 2.323 11.643 1.00 0.00 H new ATOM 0 HE2 LYS A 128 0.204 5.159 11.016 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -0.456 4.770 12.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 1.906 4.582 12.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 1.264 3.014 12.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 1.944 3.550 11.327 1.00 0.00 H new ATOM 2000 N CYS A 129 -1.600 5.641 6.074 1.00 0.00 N ATOM 2001 CA CYS A 129 -2.207 6.744 5.343 1.00 0.00 C ATOM 2002 C CYS A 129 -3.592 7.055 5.891 1.00 0.00 C ATOM 2003 O CYS A 129 -4.379 6.131 6.089 1.00 0.00 O ATOM 2004 CB CYS A 129 -2.331 6.362 3.872 1.00 0.00 C ATOM 2005 SG CYS A 129 -0.766 6.365 2.970 1.00 0.00 S ATOM 0 H CYS A 129 -2.060 4.746 5.906 1.00 0.00 H new ATOM 0 HA CYS A 129 -1.576 7.626 5.455 1.00 0.00 H new ATOM 0 HB2 CYS A 129 -2.775 5.369 3.803 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -3.019 7.054 3.386 1.00 0.00 H new ATOM 2010 N ASP A 130 -3.875 8.350 6.040 1.00 0.00 N ATOM 2011 CA ASP A 130 -5.117 8.915 6.586 1.00 0.00 C ATOM 2012 C ASP A 130 -5.394 10.339 6.052 1.00 0.00 C ATOM 2013 O ASP A 130 -4.622 10.776 5.172 1.00 0.00 O ATOM 2014 CB ASP A 130 -5.021 8.916 8.126 1.00 0.00 C ATOM 2015 CG ASP A 130 -5.370 7.578 8.815 1.00 0.00 C ATOM 2016 OD1 ASP A 130 -4.440 6.754 9.033 1.00 0.00 O ATOM 2017 OD2 ASP A 130 -6.532 7.453 9.274 1.00 0.00 O ATOM 2018 OXT ASP A 130 -6.408 10.970 6.418 1.00 0.00 O ATOM 0 H ASP A 130 -3.210 9.075 5.769 1.00 0.00 H new ATOM 0 HA ASP A 130 -5.955 8.297 6.263 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -4.007 9.197 8.409 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -5.685 9.688 8.514 1.00 0.00 H new TER 2023 ASP A 130