USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 660 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 6 HIS : no HE2:sc= -5.32! C(o=-4!,f=-10!) USER MOD Set 1.2: A 96 SER OG : rot 147:sc= 1.28 USER MOD Set 2.1: A 48 ASN :FLIP amide:sc= 0.31 F(o=-4.8!,f=0.26) USER MOD Set 2.2: A 73 ASN : amide:sc= -0.0544 K(o=0.26,f=-8.5!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -159:sc= -0.107! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN :FLIP amide:sc= -0.332 F(o=-2,f=-0.33) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0548 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -141:sc= -1.03! (180deg=-3.61!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 170:sc= -2.24! USER MOD Single : A 47 ASN : amide:sc= -7.89! C(o=-7.9!,f=-17!) USER MOD Single : A 49 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.092) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.282 F(o=-0.96,f=-0.28) USER MOD Single : A 56 ASN :FLIP amide:sc= -1.15 F(o=-4,f=-1.2) USER MOD Single : A 62 THR OG1 : rot -77:sc= 0.91 USER MOD Single : A 64 SER OG : rot 180:sc= -2.22! USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0.33) USER MOD Single : A 67 ASN : amide:sc= -1.76! C(o=-1.8!,f=-2.3!) USER MOD Single : A 70 SER OG : rot 180:sc= -0.0609 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 113:sc= 1.02 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -137:sc= -0.459 (180deg=-0.979) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 41:sc= -1.19! USER MOD Single : A 87 ASN :FLIP amide:sc= -0.289 F(o=-1.7,f=-0.29) USER MOD Single : A 89 TYR OH : rot -120:sc= -0.184 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 40:sc= -0.0305 USER MOD ----------------------------------------------------------------- ATOM 26 N ASP A 3 15.289 -6.455 0.989 1.00 0.00 N ATOM 27 CA ASP A 3 14.360 -6.492 2.101 1.00 0.00 C ATOM 28 C ASP A 3 13.657 -5.153 2.292 1.00 0.00 C ATOM 29 O ASP A 3 14.264 -4.144 2.647 1.00 0.00 O ATOM 30 CB ASP A 3 15.093 -6.914 3.376 1.00 0.00 C ATOM 31 CG ASP A 3 16.493 -6.330 3.487 1.00 0.00 C ATOM 32 OD1 ASP A 3 16.645 -5.191 3.967 1.00 0.00 O ATOM 33 OD2 ASP A 3 17.456 -7.020 3.104 1.00 0.00 O ATOM 0 HA ASP A 3 13.588 -7.228 1.877 1.00 0.00 H new ATOM 0 HB2 ASP A 3 14.508 -6.605 4.242 1.00 0.00 H new ATOM 0 HB3 ASP A 3 15.157 -8.002 3.407 1.00 0.00 H new ATOM 38 N PRO A 4 12.352 -5.153 1.996 1.00 0.00 N ATOM 39 CA PRO A 4 11.482 -3.974 2.027 1.00 0.00 C ATOM 40 C PRO A 4 11.631 -3.020 3.227 1.00 0.00 C ATOM 41 O PRO A 4 11.283 -1.862 3.091 1.00 0.00 O ATOM 42 CB PRO A 4 10.070 -4.558 1.989 1.00 0.00 C ATOM 43 CG PRO A 4 10.208 -6.029 1.767 1.00 0.00 C ATOM 44 CD PRO A 4 11.636 -6.330 1.490 1.00 0.00 C ATOM 0 HA PRO A 4 11.748 -3.327 1.191 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.545 -4.357 2.923 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.486 -4.101 1.190 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.868 -6.578 2.645 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.585 -6.346 0.931 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.957 -7.241 1.996 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.813 -6.478 0.425 1.00 0.00 H new ATOM 52 N LYS A 5 12.179 -3.467 4.356 1.00 0.00 N ATOM 53 CA LYS A 5 12.224 -2.659 5.608 1.00 0.00 C ATOM 54 C LYS A 5 13.049 -1.351 5.525 1.00 0.00 C ATOM 55 O LYS A 5 13.474 -0.828 6.553 1.00 0.00 O ATOM 56 CB LYS A 5 12.695 -3.497 6.802 1.00 0.00 C ATOM 57 CG LYS A 5 13.722 -4.563 6.468 1.00 0.00 C ATOM 58 CD LYS A 5 15.014 -3.971 5.944 1.00 0.00 C ATOM 59 CE LYS A 5 15.762 -3.182 7.002 1.00 0.00 C ATOM 60 NZ LYS A 5 17.103 -2.768 6.515 1.00 0.00 N ATOM 0 H LYS A 5 12.605 -4.389 4.445 1.00 0.00 H new ATOM 0 HA LYS A 5 11.190 -2.347 5.754 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.117 -2.829 7.553 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.828 -3.978 7.255 1.00 0.00 H new ATOM 0 HG2 LYS A 5 13.931 -5.155 7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.308 -5.243 5.723 1.00 0.00 H new ATOM 0 HD2 LYS A 5 15.653 -4.772 5.573 1.00 0.00 H new ATOM 0 HD3 LYS A 5 14.795 -3.320 5.097 1.00 0.00 H new ATOM 0 HE2 LYS A 5 15.184 -2.300 7.278 1.00 0.00 H new ATOM 0 HE3 LYS A 5 15.870 -3.787 7.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.592 -2.230 7.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 17.661 -3.612 6.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.996 -2.171 5.670 1.00 0.00 H new ATOM 74 N HIS A 6 13.295 -0.859 4.316 1.00 0.00 N ATOM 75 CA HIS A 6 14.080 0.366 4.074 1.00 0.00 C ATOM 76 C HIS A 6 13.645 1.530 4.966 1.00 0.00 C ATOM 77 O HIS A 6 14.477 2.320 5.398 1.00 0.00 O ATOM 78 CB HIS A 6 13.879 0.844 2.632 1.00 0.00 C ATOM 79 CG HIS A 6 13.907 -0.228 1.598 1.00 0.00 C ATOM 80 ND1 HIS A 6 12.816 -0.993 1.268 1.00 0.00 N ATOM 81 CD2 HIS A 6 14.899 -0.653 0.817 1.00 0.00 C ATOM 82 CE1 HIS A 6 13.151 -1.853 0.329 1.00 0.00 C ATOM 83 NE2 HIS A 6 14.411 -1.666 0.037 1.00 0.00 N ATOM 0 H HIS A 6 12.955 -1.298 3.460 1.00 0.00 H new ATOM 0 HA HIS A 6 15.116 0.101 4.286 1.00 0.00 H new ATOM 0 HB2 HIS A 6 12.923 1.363 2.568 1.00 0.00 H new ATOM 0 HB3 HIS A 6 14.654 1.574 2.397 1.00 0.00 H new ATOM 0 HD1 HIS A 6 11.889 -0.908 1.686 1.00 0.00 H new ATOM 0 HD2 HIS A 6 15.908 -0.267 0.802 1.00 0.00 H new ATOM 0 HE1 HIS A 6 12.498 -2.586 -0.122 1.00 0.00 H new ATOM 92 N VAL A 7 12.336 1.586 5.216 1.00 0.00 N ATOM 93 CA VAL A 7 11.615 2.708 5.844 1.00 0.00 C ATOM 94 C VAL A 7 11.513 3.889 4.895 1.00 0.00 C ATOM 95 O VAL A 7 12.345 4.076 4.007 1.00 0.00 O ATOM 96 CB VAL A 7 12.143 3.163 7.228 1.00 0.00 C ATOM 97 CG1 VAL A 7 12.527 1.962 8.065 1.00 0.00 C ATOM 98 CG2 VAL A 7 13.275 4.173 7.121 1.00 0.00 C ATOM 0 H VAL A 7 11.714 0.814 4.976 1.00 0.00 H new ATOM 0 HA VAL A 7 10.623 2.305 6.049 1.00 0.00 H new ATOM 0 HB VAL A 7 11.332 3.685 7.735 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.896 2.297 9.034 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.654 1.325 8.209 1.00 0.00 H new ATOM 0 HG13 VAL A 7 13.308 1.398 7.555 1.00 0.00 H new ATOM 0 HG21 VAL A 7 13.605 4.456 8.120 1.00 0.00 H new ATOM 0 HG22 VAL A 7 14.108 3.730 6.575 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.924 5.058 6.590 1.00 0.00 H new ATOM 108 N CYS A 8 10.474 4.672 5.080 1.00 0.00 N ATOM 109 CA CYS A 8 10.128 5.699 4.118 1.00 0.00 C ATOM 110 C CYS A 8 10.158 7.082 4.692 1.00 0.00 C ATOM 111 O CYS A 8 9.831 7.316 5.857 1.00 0.00 O ATOM 112 CB CYS A 8 8.741 5.459 3.541 1.00 0.00 C ATOM 113 SG CYS A 8 8.124 6.844 2.526 1.00 0.00 S ATOM 0 H CYS A 8 9.853 4.619 5.887 1.00 0.00 H new ATOM 0 HA CYS A 8 10.889 5.633 3.340 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.761 4.554 2.933 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.043 5.279 4.358 1.00 0.00 H new ATOM 118 N VAL A 9 10.558 7.986 3.828 1.00 0.00 N ATOM 119 CA VAL A 9 10.396 9.397 4.018 1.00 0.00 C ATOM 120 C VAL A 9 10.167 9.991 2.636 1.00 0.00 C ATOM 121 O VAL A 9 11.101 10.170 1.857 1.00 0.00 O ATOM 122 CB VAL A 9 11.677 9.973 4.637 1.00 0.00 C ATOM 123 CG1 VAL A 9 11.726 9.698 6.129 1.00 0.00 C ATOM 124 CG2 VAL A 9 12.870 9.328 3.963 1.00 0.00 C ATOM 0 H VAL A 9 11.018 7.746 2.950 1.00 0.00 H new ATOM 0 HA VAL A 9 9.564 9.626 4.684 1.00 0.00 H new ATOM 0 HB VAL A 9 11.693 11.053 4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 9 12.643 10.115 6.546 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.865 10.159 6.612 1.00 0.00 H new ATOM 0 HG13 VAL A 9 11.706 8.622 6.301 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.790 9.727 4.392 1.00 0.00 H new ATOM 0 HG22 VAL A 9 12.836 8.249 4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 9 12.845 9.543 2.895 1.00 0.00 H new ATOM 134 N ASP A 10 8.925 10.271 2.327 1.00 0.00 N ATOM 135 CA ASP A 10 8.561 10.712 0.997 1.00 0.00 C ATOM 136 C ASP A 10 7.731 11.975 1.040 1.00 0.00 C ATOM 137 O ASP A 10 7.132 12.287 2.067 1.00 0.00 O ATOM 138 CB ASP A 10 7.813 9.583 0.281 1.00 0.00 C ATOM 139 CG ASP A 10 7.104 10.007 -1.002 1.00 0.00 C ATOM 140 OD1 ASP A 10 7.772 10.496 -1.937 1.00 0.00 O ATOM 141 OD2 ASP A 10 5.871 9.846 -1.084 1.00 0.00 O ATOM 0 H ASP A 10 8.144 10.202 2.979 1.00 0.00 H new ATOM 0 HA ASP A 10 9.469 10.950 0.443 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.521 8.788 0.044 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.077 9.161 0.965 1.00 0.00 H new ATOM 146 N THR A 11 7.708 12.683 -0.080 1.00 0.00 N ATOM 147 CA THR A 11 6.708 13.693 -0.340 1.00 0.00 C ATOM 148 C THR A 11 6.738 14.868 0.662 1.00 0.00 C ATOM 149 O THR A 11 7.389 14.808 1.706 1.00 0.00 O ATOM 150 CB THR A 11 5.377 12.933 -0.361 1.00 0.00 C ATOM 151 OG1 THR A 11 5.142 12.408 -1.667 1.00 0.00 O ATOM 152 CG2 THR A 11 4.196 13.745 0.095 1.00 0.00 C ATOM 0 H THR A 11 8.387 12.568 -0.832 1.00 0.00 H new ATOM 0 HA THR A 11 6.890 14.198 -1.288 1.00 0.00 H new ATOM 0 HB THR A 11 5.476 12.124 0.363 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.186 12.225 -1.779 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.295 13.134 0.050 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.358 14.078 1.120 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.079 14.613 -0.554 1.00 0.00 H new ATOM 160 N ARG A 12 6.086 15.973 0.301 1.00 0.00 N ATOM 161 CA ARG A 12 6.024 17.132 1.182 1.00 0.00 C ATOM 162 C ARG A 12 4.923 16.926 2.216 1.00 0.00 C ATOM 163 O ARG A 12 5.081 17.260 3.392 1.00 0.00 O ATOM 164 CB ARG A 12 5.769 18.420 0.396 1.00 0.00 C ATOM 165 CG ARG A 12 6.255 18.397 -1.049 1.00 0.00 C ATOM 166 CD ARG A 12 7.730 18.040 -1.167 1.00 0.00 C ATOM 167 NE ARG A 12 8.619 19.131 -0.773 1.00 0.00 N ATOM 168 CZ ARG A 12 9.835 19.302 -1.295 1.00 0.00 C ATOM 169 NH1 ARG A 12 10.290 18.439 -2.197 1.00 0.00 N ATOM 170 NH2 ARG A 12 10.598 20.323 -0.917 1.00 0.00 N ATOM 0 H ARG A 12 5.598 16.087 -0.588 1.00 0.00 H new ATOM 0 HA ARG A 12 6.987 17.233 1.683 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.699 18.625 0.401 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.255 19.247 0.914 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.665 17.677 -1.615 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.085 19.374 -1.501 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.937 17.169 -0.546 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.947 17.756 -2.197 1.00 0.00 H new ATOM 0 HE ARG A 12 8.295 19.792 -0.067 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.711 17.651 -2.487 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.219 18.564 -2.600 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.255 20.985 -0.221 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.526 20.444 -1.323 1.00 0.00 H new ATOM 184 N ASP A 13 3.808 16.356 1.769 1.00 0.00 N ATOM 185 CA ASP A 13 2.696 16.034 2.655 1.00 0.00 C ATOM 186 C ASP A 13 1.899 14.851 2.113 1.00 0.00 C ATOM 187 O ASP A 13 1.094 15.001 1.192 1.00 0.00 O ATOM 188 CB ASP A 13 1.780 17.248 2.828 1.00 0.00 C ATOM 189 CG ASP A 13 0.687 16.999 3.846 1.00 0.00 C ATOM 190 OD1 ASP A 13 1.017 16.696 5.013 1.00 0.00 O ATOM 191 OD2 ASP A 13 -0.506 17.113 3.488 1.00 0.00 O ATOM 0 H ASP A 13 3.651 16.107 0.792 1.00 0.00 H new ATOM 0 HA ASP A 13 3.106 15.761 3.627 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.374 18.108 3.138 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.330 17.501 1.868 1.00 0.00 H new ATOM 196 N ILE A 14 2.152 13.669 2.670 1.00 0.00 N ATOM 197 CA ILE A 14 1.469 12.447 2.247 1.00 0.00 C ATOM 198 C ILE A 14 0.028 12.470 2.720 1.00 0.00 C ATOM 199 O ILE A 14 -0.271 12.927 3.827 1.00 0.00 O ATOM 200 CB ILE A 14 2.210 11.179 2.758 1.00 0.00 C ATOM 201 CG1 ILE A 14 3.554 11.071 2.055 1.00 0.00 C ATOM 202 CG2 ILE A 14 1.408 9.903 2.514 1.00 0.00 C ATOM 203 CD1 ILE A 14 4.679 10.683 2.966 1.00 0.00 C ATOM 0 H ILE A 14 2.829 13.531 3.420 1.00 0.00 H new ATOM 0 HA ILE A 14 1.477 12.406 1.158 1.00 0.00 H new ATOM 0 HB ILE A 14 2.344 11.282 3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.477 10.336 1.253 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.789 12.028 1.589 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.967 9.045 2.888 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.453 9.969 3.035 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.231 9.783 1.445 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.606 10.626 2.395 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.783 11.429 3.754 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.467 9.712 3.413 1.00 0.00 H new ATOM 215 N PRO A 15 -0.885 12.008 1.862 1.00 0.00 N ATOM 216 CA PRO A 15 -2.328 12.062 2.106 1.00 0.00 C ATOM 217 C PRO A 15 -2.758 11.362 3.381 1.00 0.00 C ATOM 218 O PRO A 15 -2.041 10.515 3.921 1.00 0.00 O ATOM 219 CB PRO A 15 -2.894 11.302 0.914 1.00 0.00 C ATOM 220 CG PRO A 15 -1.892 11.499 -0.148 1.00 0.00 C ATOM 221 CD PRO A 15 -0.591 11.373 0.561 1.00 0.00 C ATOM 0 HA PRO A 15 -2.669 13.091 2.218 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.029 10.245 1.143 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.869 11.691 0.619 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.992 10.752 -0.935 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.997 12.476 -0.620 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.288 10.332 0.675 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.213 11.883 0.031 1.00 0.00 H new ATOM 229 N LYS A 16 -3.937 11.724 3.856 1.00 0.00 N ATOM 230 CA LYS A 16 -4.610 10.959 4.856 1.00 0.00 C ATOM 231 C LYS A 16 -4.987 9.626 4.267 1.00 0.00 C ATOM 232 O LYS A 16 -5.178 9.517 3.055 1.00 0.00 O ATOM 233 CB LYS A 16 -5.861 11.678 5.299 1.00 0.00 C ATOM 234 CG LYS A 16 -6.609 12.301 4.158 1.00 0.00 C ATOM 235 CD LYS A 16 -6.516 13.812 4.187 1.00 0.00 C ATOM 236 CE LYS A 16 -7.204 14.388 5.414 1.00 0.00 C ATOM 237 NZ LYS A 16 -6.961 15.846 5.550 1.00 0.00 N ATOM 0 H LYS A 16 -4.442 12.556 3.552 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.955 10.822 5.716 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.515 10.975 5.815 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.594 12.452 6.018 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.209 11.930 3.214 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.656 12.000 4.201 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.469 14.113 4.181 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.972 14.223 3.286 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.276 14.203 5.350 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.845 13.875 6.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.447 16.201 6.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.940 16.021 5.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.326 16.339 4.710 1.00 0.00 H new ATOM 251 N ASN A 17 -5.098 8.625 5.121 1.00 0.00 N ATOM 252 CA ASN A 17 -5.450 7.267 4.699 1.00 0.00 C ATOM 253 C ASN A 17 -4.426 6.761 3.687 1.00 0.00 C ATOM 254 O ASN A 17 -4.659 5.790 2.963 1.00 0.00 O ATOM 255 CB ASN A 17 -6.856 7.236 4.084 1.00 0.00 C ATOM 256 CG ASN A 17 -7.861 8.061 4.860 1.00 0.00 C ATOM 257 OD1 ASN A 17 -7.909 9.340 4.543 1.00 0.00 O flip ATOM 258 ND2 ASN A 17 -8.562 7.564 5.738 1.00 0.00 N flip ATOM 0 H ASN A 17 -4.949 8.722 6.125 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.445 6.618 5.575 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.806 7.604 3.059 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.202 6.204 4.035 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.488 6.568 5.947 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.218 8.147 6.258 1.00 0.00 H new ATOM 265 N ALA A 18 -3.305 7.461 3.624 1.00 0.00 N ATOM 266 CA ALA A 18 -2.212 7.106 2.737 1.00 0.00 C ATOM 267 C ALA A 18 -0.937 6.862 3.514 1.00 0.00 C ATOM 268 O ALA A 18 -0.677 7.504 4.529 1.00 0.00 O ATOM 269 CB ALA A 18 -1.971 8.193 1.702 1.00 0.00 C ATOM 0 H ALA A 18 -3.128 8.292 4.188 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.498 6.187 2.226 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.147 7.900 1.052 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.872 8.333 1.105 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.721 9.126 2.206 1.00 0.00 H new ATOM 275 N GLY A 19 -0.157 5.922 3.030 1.00 0.00 N ATOM 276 CA GLY A 19 1.144 5.668 3.595 1.00 0.00 C ATOM 277 C GLY A 19 2.222 5.752 2.544 1.00 0.00 C ATOM 278 O GLY A 19 1.939 5.622 1.355 1.00 0.00 O ATOM 0 H GLY A 19 -0.404 5.321 2.244 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.347 6.390 4.386 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.157 4.680 4.055 1.00 0.00 H new ATOM 282 N CYS A 20 3.454 5.952 2.967 1.00 0.00 N ATOM 283 CA CYS A 20 4.531 6.186 2.032 1.00 0.00 C ATOM 284 C CYS A 20 5.567 5.088 2.132 1.00 0.00 C ATOM 285 O CYS A 20 5.738 4.474 3.187 1.00 0.00 O ATOM 286 CB CYS A 20 5.179 7.539 2.294 1.00 0.00 C ATOM 287 SG CYS A 20 6.502 7.514 3.551 1.00 0.00 S ATOM 0 H CYS A 20 3.732 5.957 3.948 1.00 0.00 H new ATOM 0 HA CYS A 20 4.115 6.185 1.024 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.591 7.917 1.359 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.408 8.242 2.610 1.00 0.00 H new ATOM 292 N PHE A 21 6.228 4.818 1.026 1.00 0.00 N ATOM 293 CA PHE A 21 7.329 3.872 1.021 1.00 0.00 C ATOM 294 C PHE A 21 8.509 4.412 0.211 1.00 0.00 C ATOM 295 O PHE A 21 8.350 4.909 -0.903 1.00 0.00 O ATOM 296 CB PHE A 21 6.853 2.510 0.509 1.00 0.00 C ATOM 297 CG PHE A 21 7.943 1.508 0.252 1.00 0.00 C ATOM 298 CD1 PHE A 21 9.051 1.524 1.024 1.00 0.00 C ATOM 299 CD2 PHE A 21 7.863 0.588 -0.773 1.00 0.00 C ATOM 300 CE1 PHE A 21 10.100 0.652 0.809 1.00 0.00 C ATOM 301 CE2 PHE A 21 8.890 -0.300 -0.999 1.00 0.00 C ATOM 302 CZ PHE A 21 10.013 -0.262 -0.197 1.00 0.00 C ATOM 0 H PHE A 21 6.024 5.238 0.119 1.00 0.00 H new ATOM 0 HA PHE A 21 7.683 3.735 2.043 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.158 2.089 1.236 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.295 2.662 -0.415 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.118 2.238 1.831 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.987 0.564 -1.404 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.981 0.694 1.433 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.818 -1.022 -1.799 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.822 -0.957 -0.367 1.00 0.00 H new ATOM 312 N ARG A 22 9.689 4.316 0.814 1.00 0.00 N ATOM 313 CA ARG A 22 10.930 4.727 0.200 1.00 0.00 C ATOM 314 C ARG A 22 11.842 3.523 0.160 1.00 0.00 C ATOM 315 O ARG A 22 12.225 2.988 1.198 1.00 0.00 O ATOM 316 CB ARG A 22 11.591 5.864 0.978 1.00 0.00 C ATOM 317 CG ARG A 22 12.934 6.269 0.423 1.00 0.00 C ATOM 318 CD ARG A 22 13.542 7.413 1.195 1.00 0.00 C ATOM 319 NE ARG A 22 13.909 8.495 0.304 1.00 0.00 N ATOM 320 CZ ARG A 22 14.818 9.433 0.586 1.00 0.00 C ATOM 321 NH1 ARG A 22 15.528 9.372 1.708 1.00 0.00 N ATOM 322 NH2 ARG A 22 15.016 10.437 -0.256 1.00 0.00 N ATOM 0 H ARG A 22 9.804 3.944 1.757 1.00 0.00 H new ATOM 0 HA ARG A 22 10.734 5.101 -0.805 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.929 6.730 0.974 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.713 5.560 2.018 1.00 0.00 H new ATOM 0 HG2 ARG A 22 13.610 5.414 0.449 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.823 6.556 -0.623 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.832 7.773 1.940 1.00 0.00 H new ATOM 0 HD3 ARG A 22 14.423 7.066 1.736 1.00 0.00 H new ATOM 0 HE ARG A 22 13.441 8.544 -0.601 1.00 0.00 H new ATOM 0 HH11 ARG A 22 15.381 8.604 2.363 1.00 0.00 H new ATOM 0 HH12 ARG A 22 16.219 10.093 1.914 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.475 10.493 -1.119 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.710 11.153 -0.041 1.00 0.00 H new ATOM 336 N ASP A 23 12.162 3.082 -1.029 1.00 0.00 N ATOM 337 CA ASP A 23 12.854 1.822 -1.204 1.00 0.00 C ATOM 338 C ASP A 23 14.370 2.053 -1.251 1.00 0.00 C ATOM 339 O ASP A 23 14.844 3.141 -0.923 1.00 0.00 O ATOM 340 CB ASP A 23 12.313 1.140 -2.466 1.00 0.00 C ATOM 341 CG ASP A 23 12.653 -0.338 -2.602 1.00 0.00 C ATOM 342 OD1 ASP A 23 13.779 -0.668 -3.021 1.00 0.00 O ATOM 343 OD2 ASP A 23 11.780 -1.178 -2.317 1.00 0.00 O ATOM 0 H ASP A 23 11.955 3.576 -1.897 1.00 0.00 H new ATOM 0 HA ASP A 23 12.673 1.158 -0.359 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.229 1.250 -2.482 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.700 1.667 -3.338 1.00 0.00 H new ATOM 348 N ASP A 24 15.107 1.044 -1.666 1.00 0.00 N ATOM 349 CA ASP A 24 16.560 0.997 -1.529 1.00 0.00 C ATOM 350 C ASP A 24 17.264 2.131 -2.268 1.00 0.00 C ATOM 351 O ASP A 24 18.122 2.808 -1.709 1.00 0.00 O ATOM 352 CB ASP A 24 17.051 -0.344 -2.057 1.00 0.00 C ATOM 353 CG ASP A 24 18.563 -0.490 -2.015 1.00 0.00 C ATOM 354 OD1 ASP A 24 19.099 -0.848 -0.942 1.00 0.00 O ATOM 355 OD2 ASP A 24 19.220 -0.266 -3.054 1.00 0.00 O ATOM 0 H ASP A 24 14.714 0.217 -2.116 1.00 0.00 H new ATOM 0 HA ASP A 24 16.801 1.117 -0.473 1.00 0.00 H new ATOM 0 HB2 ASP A 24 16.599 -1.145 -1.471 1.00 0.00 H new ATOM 0 HB3 ASP A 24 16.709 -0.469 -3.084 1.00 0.00 H new ATOM 360 N ASP A 25 16.875 2.345 -3.518 1.00 0.00 N ATOM 361 CA ASP A 25 17.544 3.319 -4.384 1.00 0.00 C ATOM 362 C ASP A 25 17.250 4.754 -3.937 1.00 0.00 C ATOM 363 O ASP A 25 17.824 5.714 -4.450 1.00 0.00 O ATOM 364 CB ASP A 25 17.099 3.101 -5.836 1.00 0.00 C ATOM 365 CG ASP A 25 17.710 4.093 -6.811 1.00 0.00 C ATOM 366 OD1 ASP A 25 18.949 4.115 -6.953 1.00 0.00 O ATOM 367 OD2 ASP A 25 16.947 4.856 -7.443 1.00 0.00 O ATOM 0 H ASP A 25 16.096 1.857 -3.961 1.00 0.00 H new ATOM 0 HA ASP A 25 18.621 3.170 -4.311 1.00 0.00 H new ATOM 0 HB2 ASP A 25 17.367 2.090 -6.142 1.00 0.00 H new ATOM 0 HB3 ASP A 25 16.013 3.173 -5.890 1.00 0.00 H new ATOM 372 N GLY A 26 16.380 4.892 -2.951 1.00 0.00 N ATOM 373 CA GLY A 26 15.948 6.203 -2.525 1.00 0.00 C ATOM 374 C GLY A 26 14.623 6.548 -3.151 1.00 0.00 C ATOM 375 O GLY A 26 14.111 7.655 -2.994 1.00 0.00 O ATOM 0 H GLY A 26 15.964 4.116 -2.436 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.862 6.229 -1.439 1.00 0.00 H new ATOM 0 HA3 GLY A 26 16.694 6.947 -2.804 1.00 0.00 H new ATOM 379 N THR A 27 14.095 5.580 -3.886 1.00 0.00 N ATOM 380 CA THR A 27 12.785 5.665 -4.503 1.00 0.00 C ATOM 381 C THR A 27 11.735 6.064 -3.480 1.00 0.00 C ATOM 382 O THR A 27 11.670 5.476 -2.410 1.00 0.00 O ATOM 383 CB THR A 27 12.405 4.291 -5.045 1.00 0.00 C ATOM 384 OG1 THR A 27 13.571 3.648 -5.576 1.00 0.00 O ATOM 385 CG2 THR A 27 11.330 4.390 -6.117 1.00 0.00 C ATOM 0 H THR A 27 14.575 4.700 -4.072 1.00 0.00 H new ATOM 0 HA THR A 27 12.825 6.410 -5.298 1.00 0.00 H new ATOM 0 HB THR A 27 11.999 3.701 -4.224 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.328 2.764 -5.923 1.00 0.00 H new ATOM 0 HG21 THR A 27 11.085 3.392 -6.480 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.437 4.852 -5.696 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.697 4.997 -6.945 1.00 0.00 H new ATOM 393 N GLU A 28 10.912 7.039 -3.806 1.00 0.00 N ATOM 394 CA GLU A 28 9.888 7.490 -2.883 1.00 0.00 C ATOM 395 C GLU A 28 8.520 7.459 -3.534 1.00 0.00 C ATOM 396 O GLU A 28 8.297 8.075 -4.579 1.00 0.00 O ATOM 397 CB GLU A 28 10.207 8.893 -2.393 1.00 0.00 C ATOM 398 CG GLU A 28 11.401 8.971 -1.462 1.00 0.00 C ATOM 399 CD GLU A 28 11.933 10.387 -1.369 1.00 0.00 C ATOM 400 OE1 GLU A 28 11.275 11.245 -0.751 1.00 0.00 O ATOM 401 OE2 GLU A 28 13.006 10.657 -1.950 1.00 0.00 O ATOM 0 H GLU A 28 10.930 7.533 -4.698 1.00 0.00 H new ATOM 0 HA GLU A 28 9.873 6.811 -2.030 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.391 9.534 -3.255 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.333 9.293 -1.879 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.115 8.621 -0.470 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.188 8.307 -1.819 1.00 0.00 H new ATOM 408 N GLU A 29 7.613 6.719 -2.923 1.00 0.00 N ATOM 409 CA GLU A 29 6.259 6.592 -3.421 1.00 0.00 C ATOM 410 C GLU A 29 5.288 6.403 -2.273 1.00 0.00 C ATOM 411 O GLU A 29 5.497 5.556 -1.409 1.00 0.00 O ATOM 412 CB GLU A 29 6.172 5.407 -4.375 1.00 0.00 C ATOM 413 CG GLU A 29 4.766 5.062 -4.836 1.00 0.00 C ATOM 414 CD GLU A 29 4.770 4.053 -5.963 1.00 0.00 C ATOM 415 OE1 GLU A 29 5.507 3.051 -5.866 1.00 0.00 O ATOM 416 OE2 GLU A 29 4.063 4.272 -6.968 1.00 0.00 O ATOM 0 H GLU A 29 7.795 6.191 -2.070 1.00 0.00 H new ATOM 0 HA GLU A 29 5.993 7.505 -3.954 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.785 5.618 -5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.604 4.533 -3.887 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.196 4.665 -3.996 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.259 5.970 -5.164 1.00 0.00 H new ATOM 423 N TRP A 30 4.245 7.199 -2.253 1.00 0.00 N ATOM 424 CA TRP A 30 3.176 6.991 -1.308 1.00 0.00 C ATOM 425 C TRP A 30 1.995 6.350 -2.025 1.00 0.00 C ATOM 426 O TRP A 30 1.874 6.433 -3.250 1.00 0.00 O ATOM 427 CB TRP A 30 2.765 8.306 -0.629 1.00 0.00 C ATOM 428 CG TRP A 30 2.246 9.336 -1.576 1.00 0.00 C ATOM 429 CD1 TRP A 30 2.914 10.414 -2.061 1.00 0.00 C ATOM 430 CD2 TRP A 30 0.944 9.380 -2.145 1.00 0.00 C ATOM 431 NE1 TRP A 30 2.103 11.127 -2.912 1.00 0.00 N ATOM 432 CE2 TRP A 30 0.884 10.509 -2.977 1.00 0.00 C ATOM 433 CE3 TRP A 30 -0.175 8.562 -2.030 1.00 0.00 C ATOM 434 CZ2 TRP A 30 -0.266 10.833 -3.690 1.00 0.00 C ATOM 435 CZ3 TRP A 30 -1.305 8.891 -2.736 1.00 0.00 C ATOM 436 CH2 TRP A 30 -1.332 10.022 -3.556 1.00 0.00 C ATOM 0 H TRP A 30 4.115 7.994 -2.879 1.00 0.00 H new ATOM 0 HA TRP A 30 3.524 6.323 -0.520 1.00 0.00 H new ATOM 0 HB2 TRP A 30 2.000 8.095 0.118 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.625 8.714 -0.098 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.933 10.673 -1.814 1.00 0.00 H new ATOM 0 HE1 TRP A 30 2.366 11.976 -3.412 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.155 7.686 -1.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -0.302 11.704 -4.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -2.184 8.268 -2.657 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -2.236 10.253 -4.099 1.00 0.00 H new ATOM 447 N ARG A 31 1.146 5.700 -1.260 1.00 0.00 N ATOM 448 CA ARG A 31 -0.016 5.002 -1.789 1.00 0.00 C ATOM 449 C ARG A 31 -1.148 5.081 -0.791 1.00 0.00 C ATOM 450 O ARG A 31 -1.016 5.669 0.276 1.00 0.00 O ATOM 451 CB ARG A 31 0.266 3.521 -2.072 1.00 0.00 C ATOM 452 CG ARG A 31 1.395 3.221 -3.045 1.00 0.00 C ATOM 453 CD ARG A 31 1.388 1.742 -3.417 1.00 0.00 C ATOM 454 NE ARG A 31 2.623 1.312 -4.065 1.00 0.00 N ATOM 455 CZ ARG A 31 2.738 1.087 -5.375 1.00 0.00 C ATOM 456 NH1 ARG A 31 1.706 1.321 -6.184 1.00 0.00 N ATOM 457 NH2 ARG A 31 3.884 0.642 -5.878 1.00 0.00 N ATOM 0 H ARG A 31 1.239 5.638 -0.246 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.277 5.488 -2.729 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.491 3.029 -1.126 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.647 3.067 -2.458 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.284 3.830 -3.942 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.352 3.486 -2.596 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.230 1.147 -2.517 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.547 1.544 -4.082 1.00 0.00 H new ATOM 0 HE ARG A 31 3.448 1.175 -3.481 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.828 1.672 -5.802 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.794 1.149 -7.186 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.679 0.471 -5.262 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.969 0.471 -6.880 1.00 0.00 H new ATOM 471 N CYS A 32 -2.237 4.434 -1.137 1.00 0.00 N ATOM 472 CA CYS A 32 -3.459 4.505 -0.369 1.00 0.00 C ATOM 473 C CYS A 32 -3.677 3.165 0.275 1.00 0.00 C ATOM 474 O CYS A 32 -3.552 2.127 -0.372 1.00 0.00 O ATOM 475 CB CYS A 32 -4.636 4.818 -1.294 1.00 0.00 C ATOM 476 SG CYS A 32 -4.395 6.324 -2.277 1.00 0.00 S ATOM 0 H CYS A 32 -2.300 3.840 -1.964 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.385 5.289 0.385 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.795 3.975 -1.966 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.541 4.924 -0.696 1.00 0.00 H new ATOM 481 N LEU A 33 -3.950 3.207 1.571 1.00 0.00 N ATOM 482 CA LEU A 33 -3.991 2.015 2.391 1.00 0.00 C ATOM 483 C LEU A 33 -5.033 1.033 1.866 1.00 0.00 C ATOM 484 O LEU A 33 -5.880 1.382 1.046 1.00 0.00 O ATOM 485 CB LEU A 33 -4.297 2.381 3.845 1.00 0.00 C ATOM 486 CG LEU A 33 -3.494 3.533 4.460 1.00 0.00 C ATOM 487 CD1 LEU A 33 -3.572 3.470 5.975 1.00 0.00 C ATOM 488 CD2 LEU A 33 -2.049 3.540 3.996 1.00 0.00 C ATOM 0 H LEU A 33 -4.148 4.069 2.079 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.013 1.536 2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.355 2.632 3.915 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.138 1.493 4.458 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.940 4.466 4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.999 4.292 6.403 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.613 3.551 6.289 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.161 2.522 6.321 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.522 4.374 4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.570 2.604 4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.016 3.647 2.912 1.00 0.00 H new ATOM 500 N LEU A 34 -4.962 -0.187 2.351 1.00 0.00 N ATOM 501 CA LEU A 34 -5.790 -1.258 1.864 1.00 0.00 C ATOM 502 C LEU A 34 -7.248 -1.003 2.158 1.00 0.00 C ATOM 503 O LEU A 34 -7.617 -0.624 3.269 1.00 0.00 O ATOM 504 CB LEU A 34 -5.325 -2.559 2.484 1.00 0.00 C ATOM 505 CG LEU A 34 -3.845 -2.832 2.268 1.00 0.00 C ATOM 506 CD1 LEU A 34 -3.469 -4.173 2.844 1.00 0.00 C ATOM 507 CD2 LEU A 34 -3.512 -2.758 0.792 1.00 0.00 C ATOM 0 H LEU A 34 -4.324 -0.461 3.098 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.694 -1.320 0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.531 -2.538 3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.904 -3.381 2.064 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.264 -2.070 2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.406 -4.354 2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.679 -4.181 3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.049 -4.955 2.354 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.450 -2.955 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.096 -3.502 0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.751 -1.764 0.415 1.00 0.00 H new ATOM 519 N GLY A 35 -8.074 -1.196 1.145 1.00 0.00 N ATOM 520 CA GLY A 35 -9.472 -0.905 1.281 1.00 0.00 C ATOM 521 C GLY A 35 -9.726 0.574 1.195 1.00 0.00 C ATOM 522 O GLY A 35 -10.721 1.074 1.722 1.00 0.00 O ATOM 0 H GLY A 35 -7.795 -1.550 0.230 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.032 -1.420 0.500 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.835 -1.285 2.236 1.00 0.00 H new ATOM 526 N TYR A 36 -8.789 1.283 0.565 1.00 0.00 N ATOM 527 CA TYR A 36 -8.910 2.698 0.304 1.00 0.00 C ATOM 528 C TYR A 36 -8.603 2.946 -1.170 1.00 0.00 C ATOM 529 O TYR A 36 -8.059 2.077 -1.851 1.00 0.00 O ATOM 530 CB TYR A 36 -7.923 3.506 1.151 1.00 0.00 C ATOM 531 CG TYR A 36 -8.055 3.375 2.661 1.00 0.00 C ATOM 532 CD1 TYR A 36 -8.982 2.537 3.254 1.00 0.00 C ATOM 533 CD2 TYR A 36 -7.227 4.096 3.488 1.00 0.00 C ATOM 534 CE1 TYR A 36 -9.085 2.418 4.620 1.00 0.00 C ATOM 535 CE2 TYR A 36 -7.318 3.988 4.860 1.00 0.00 C ATOM 536 CZ TYR A 36 -8.248 3.147 5.423 1.00 0.00 C ATOM 537 OH TYR A 36 -8.337 3.040 6.793 1.00 0.00 O ATOM 0 H TYR A 36 -7.919 0.876 0.222 1.00 0.00 H new ATOM 0 HA TYR A 36 -9.922 3.013 0.557 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.912 3.211 0.870 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.032 4.559 0.890 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.644 1.959 2.626 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.492 4.759 3.056 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.819 1.756 5.056 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.658 4.564 5.492 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.670 3.624 7.211 1.00 0.00 H new ATOM 547 N LYS A 37 -8.949 4.119 -1.654 1.00 0.00 N ATOM 548 CA LYS A 37 -8.788 4.453 -3.049 1.00 0.00 C ATOM 549 C LYS A 37 -8.114 5.800 -3.201 1.00 0.00 C ATOM 550 O LYS A 37 -7.947 6.540 -2.229 1.00 0.00 O ATOM 551 CB LYS A 37 -10.156 4.497 -3.715 1.00 0.00 C ATOM 552 CG LYS A 37 -11.121 5.441 -3.031 1.00 0.00 C ATOM 553 CD LYS A 37 -12.504 5.325 -3.623 1.00 0.00 C ATOM 554 CE LYS A 37 -13.483 6.268 -2.943 1.00 0.00 C ATOM 555 NZ LYS A 37 -14.798 6.298 -3.633 1.00 0.00 N ATOM 0 H LYS A 37 -9.350 4.868 -1.089 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.164 3.694 -3.522 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.037 4.800 -4.755 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.582 3.494 -3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.158 5.218 -1.965 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.764 6.466 -3.130 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.464 5.548 -4.689 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.858 4.299 -3.525 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.624 5.959 -1.907 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.062 7.273 -2.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.435 6.953 -3.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.668 6.618 -4.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.213 5.344 -3.632 1.00 0.00 H new ATOM 569 N LYS A 38 -7.736 6.103 -4.424 1.00 0.00 N ATOM 570 CA LYS A 38 -7.131 7.378 -4.751 1.00 0.00 C ATOM 571 C LYS A 38 -8.206 8.435 -4.895 1.00 0.00 C ATOM 572 O LYS A 38 -9.190 8.232 -5.608 1.00 0.00 O ATOM 573 CB LYS A 38 -6.356 7.256 -6.058 1.00 0.00 C ATOM 574 CG LYS A 38 -5.235 8.257 -6.190 1.00 0.00 C ATOM 575 CD LYS A 38 -4.288 8.143 -5.017 1.00 0.00 C ATOM 576 CE LYS A 38 -4.279 9.391 -4.198 1.00 0.00 C ATOM 577 NZ LYS A 38 -3.930 10.582 -5.023 1.00 0.00 N ATOM 0 H LYS A 38 -7.839 5.474 -5.220 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.449 7.667 -3.951 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.944 6.250 -6.134 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.045 7.383 -6.893 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.694 8.086 -7.121 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.644 9.266 -6.239 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.581 7.299 -4.393 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.281 7.937 -5.380 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.259 9.536 -3.743 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.562 9.288 -3.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.316 11.217 -4.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.430 10.275 -5.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.800 11.086 -5.290 1.00 0.00 H new ATOM 591 N GLY A 39 -8.025 9.562 -4.223 1.00 0.00 N ATOM 592 CA GLY A 39 -9.004 10.612 -4.312 1.00 0.00 C ATOM 593 C GLY A 39 -8.589 11.665 -5.307 1.00 0.00 C ATOM 594 O GLY A 39 -8.610 11.435 -6.516 1.00 0.00 O ATOM 0 H GLY A 39 -7.224 9.763 -3.624 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.966 10.191 -4.605 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.141 11.069 -3.332 1.00 0.00 H new ATOM 598 N GLU A 40 -8.197 12.814 -4.798 1.00 0.00 N ATOM 599 CA GLU A 40 -7.653 13.872 -5.634 1.00 0.00 C ATOM 600 C GLU A 40 -6.146 13.714 -5.717 1.00 0.00 C ATOM 601 O GLU A 40 -5.619 12.661 -5.341 1.00 0.00 O ATOM 602 CB GLU A 40 -8.042 15.250 -5.087 1.00 0.00 C ATOM 603 CG GLU A 40 -7.478 15.565 -3.715 1.00 0.00 C ATOM 604 CD GLU A 40 -7.943 16.907 -3.195 1.00 0.00 C ATOM 605 OE1 GLU A 40 -9.127 17.025 -2.817 1.00 0.00 O ATOM 606 OE2 GLU A 40 -7.124 17.847 -3.155 1.00 0.00 O ATOM 0 H GLU A 40 -8.244 13.043 -3.805 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.071 13.795 -6.638 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.705 16.013 -5.788 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.129 15.315 -5.043 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.775 14.784 -3.015 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.389 15.554 -3.761 1.00 0.00 H new ATOM 613 N GLY A 41 -5.481 14.747 -6.223 1.00 0.00 N ATOM 614 CA GLY A 41 -4.034 14.730 -6.399 1.00 0.00 C ATOM 615 C GLY A 41 -3.296 14.015 -5.283 1.00 0.00 C ATOM 616 O GLY A 41 -2.609 13.024 -5.521 1.00 0.00 O ATOM 0 H GLY A 41 -5.927 15.615 -6.521 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.797 14.248 -7.347 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.672 15.756 -6.464 1.00 0.00 H new ATOM 620 N ASN A 42 -3.452 14.487 -4.060 1.00 0.00 N ATOM 621 CA ASN A 42 -2.880 13.794 -2.919 1.00 0.00 C ATOM 622 C ASN A 42 -3.913 13.576 -1.830 1.00 0.00 C ATOM 623 O ASN A 42 -3.922 14.271 -0.815 1.00 0.00 O ATOM 624 CB ASN A 42 -1.655 14.518 -2.346 1.00 0.00 C ATOM 625 CG ASN A 42 -1.635 15.998 -2.645 1.00 0.00 C ATOM 626 OD1 ASN A 42 -2.281 16.797 -1.966 1.00 0.00 O ATOM 627 ND2 ASN A 42 -0.857 16.376 -3.643 1.00 0.00 N ATOM 0 H ASN A 42 -3.965 15.339 -3.832 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.547 12.824 -3.288 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.630 14.373 -1.266 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.751 14.062 -2.750 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.773 17.365 -3.878 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.340 15.679 -4.179 1.00 0.00 H new ATOM 634 N THR A 43 -4.793 12.609 -2.062 1.00 0.00 N ATOM 635 CA THR A 43 -5.674 12.111 -1.021 1.00 0.00 C ATOM 636 C THR A 43 -5.969 10.654 -1.217 1.00 0.00 C ATOM 637 O THR A 43 -6.256 10.205 -2.321 1.00 0.00 O ATOM 638 CB THR A 43 -7.017 12.834 -0.929 1.00 0.00 C ATOM 639 OG1 THR A 43 -7.578 13.043 -2.220 1.00 0.00 O ATOM 640 CG2 THR A 43 -6.858 14.142 -0.217 1.00 0.00 C ATOM 0 H THR A 43 -4.913 12.155 -2.967 1.00 0.00 H new ATOM 0 HA THR A 43 -5.124 12.293 -0.098 1.00 0.00 H new ATOM 0 HB THR A 43 -7.700 12.202 -0.361 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.501 13.358 -2.128 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.823 14.645 -0.160 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.481 13.965 0.790 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.154 14.770 -0.763 1.00 0.00 H new ATOM 648 N CYS A 44 -5.893 9.929 -0.143 1.00 0.00 N ATOM 649 CA CYS A 44 -6.338 8.567 -0.130 1.00 0.00 C ATOM 650 C CYS A 44 -7.523 8.488 0.793 1.00 0.00 C ATOM 651 O CYS A 44 -7.554 9.158 1.819 1.00 0.00 O ATOM 652 CB CYS A 44 -5.214 7.641 0.294 1.00 0.00 C ATOM 653 SG CYS A 44 -3.821 7.665 -0.879 1.00 0.00 S ATOM 0 H CYS A 44 -5.522 10.262 0.747 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.636 8.243 -1.127 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.859 7.933 1.282 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.597 6.624 0.380 1.00 0.00 H new ATOM 658 N VAL A 45 -8.516 7.727 0.409 1.00 0.00 N ATOM 659 CA VAL A 45 -9.777 7.738 1.111 1.00 0.00 C ATOM 660 C VAL A 45 -10.356 6.352 1.190 1.00 0.00 C ATOM 661 O VAL A 45 -10.203 5.552 0.272 1.00 0.00 O ATOM 662 CB VAL A 45 -10.793 8.673 0.421 1.00 0.00 C ATOM 663 CG1 VAL A 45 -10.301 10.120 0.436 1.00 0.00 C ATOM 664 CG2 VAL A 45 -11.053 8.222 -1.012 1.00 0.00 C ATOM 0 H VAL A 45 -8.477 7.090 -0.387 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.583 8.108 2.118 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.728 8.621 0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.034 10.759 -0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.167 10.448 1.467 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.350 10.186 -0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.772 8.894 -1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.119 8.240 -1.574 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.454 7.208 -1.007 1.00 0.00 H new ATOM 674 N GLU A 46 -10.997 6.074 2.305 1.00 0.00 N ATOM 675 CA GLU A 46 -11.670 4.813 2.506 1.00 0.00 C ATOM 676 C GLU A 46 -12.696 4.595 1.409 1.00 0.00 C ATOM 677 O GLU A 46 -13.699 5.303 1.344 1.00 0.00 O ATOM 678 CB GLU A 46 -12.344 4.812 3.870 1.00 0.00 C ATOM 679 CG GLU A 46 -11.378 4.594 5.019 1.00 0.00 C ATOM 680 CD GLU A 46 -11.995 4.893 6.365 1.00 0.00 C ATOM 681 OE1 GLU A 46 -12.578 3.972 6.970 1.00 0.00 O ATOM 682 OE2 GLU A 46 -11.901 6.052 6.818 1.00 0.00 O ATOM 0 H GLU A 46 -11.065 6.716 3.095 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.944 4.001 2.468 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.859 5.762 4.013 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.104 4.031 3.891 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.030 3.561 5.005 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.502 5.227 4.877 1.00 0.00 H new ATOM 689 N ASN A 47 -12.435 3.636 0.534 1.00 0.00 N ATOM 690 CA ASN A 47 -13.298 3.408 -0.590 1.00 0.00 C ATOM 691 C ASN A 47 -14.571 2.703 -0.172 1.00 0.00 C ATOM 692 O ASN A 47 -15.627 2.924 -0.759 1.00 0.00 O ATOM 693 CB ASN A 47 -12.577 2.623 -1.687 1.00 0.00 C ATOM 694 CG ASN A 47 -11.781 1.460 -1.248 1.00 0.00 C ATOM 695 OD1 ASN A 47 -12.108 0.811 -0.275 1.00 0.00 O ATOM 696 ND2 ASN A 47 -10.767 1.151 -2.030 1.00 0.00 N ATOM 0 H ASN A 47 -11.632 3.010 0.590 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.573 4.381 -0.996 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -13.321 2.276 -2.404 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.916 3.308 -2.219 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -10.204 0.324 -1.832 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -10.545 1.739 -2.833 1.00 0.00 H new ATOM 703 N ASN A 48 -14.447 1.840 0.833 1.00 0.00 N ATOM 704 CA ASN A 48 -15.583 1.121 1.418 1.00 0.00 C ATOM 705 C ASN A 48 -16.161 0.090 0.445 1.00 0.00 C ATOM 706 O ASN A 48 -16.871 -0.823 0.853 1.00 0.00 O ATOM 707 CB ASN A 48 -16.673 2.095 1.882 1.00 0.00 C ATOM 708 CG ASN A 48 -16.218 2.982 3.030 1.00 0.00 C ATOM 709 OD1 ASN A 48 -15.457 2.418 3.960 1.00 0.00 O flip ATOM 710 ND2 ASN A 48 -16.573 4.159 3.095 1.00 0.00 N flip ATOM 0 H ASN A 48 -13.552 1.616 1.269 1.00 0.00 H new ATOM 0 HA ASN A 48 -15.210 0.583 2.289 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.976 2.721 1.043 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -17.552 1.529 2.192 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -17.158 4.557 2.360 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -16.282 4.737 3.884 1.00 0.00 H new ATOM 717 N ASN A 49 -15.848 0.239 -0.836 1.00 0.00 N ATOM 718 CA ASN A 49 -16.162 -0.776 -1.838 1.00 0.00 C ATOM 719 C ASN A 49 -14.930 -1.044 -2.717 1.00 0.00 C ATOM 720 O ASN A 49 -14.937 -0.802 -3.922 1.00 0.00 O ATOM 721 CB ASN A 49 -17.335 -0.314 -2.692 1.00 0.00 C ATOM 722 CG ASN A 49 -17.883 -1.405 -3.608 1.00 0.00 C ATOM 723 OD1 ASN A 49 -18.735 -2.198 -3.208 1.00 0.00 O ATOM 724 ND2 ASN A 49 -17.412 -1.442 -4.845 1.00 0.00 N ATOM 0 H ASN A 49 -15.373 1.060 -1.210 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.439 -1.703 -1.336 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -18.134 0.038 -2.039 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -17.021 0.536 -3.298 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.755 -2.144 -5.501 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.706 -0.769 -5.142 1.00 0.00 H new ATOM 731 N PRO A 50 -13.829 -1.485 -2.098 1.00 0.00 N ATOM 732 CA PRO A 50 -12.612 -1.854 -2.802 1.00 0.00 C ATOM 733 C PRO A 50 -12.758 -3.163 -3.550 1.00 0.00 C ATOM 734 O PRO A 50 -13.336 -4.128 -3.049 1.00 0.00 O ATOM 735 CB PRO A 50 -11.566 -1.990 -1.700 1.00 0.00 C ATOM 736 CG PRO A 50 -12.335 -2.229 -0.460 1.00 0.00 C ATOM 737 CD PRO A 50 -13.682 -1.611 -0.658 1.00 0.00 C ATOM 0 HA PRO A 50 -12.349 -1.113 -3.557 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.884 -2.815 -1.905 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.960 -1.088 -1.619 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.426 -3.297 -0.262 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.830 -1.787 0.399 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.469 -2.235 -0.234 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -13.747 -0.639 -0.168 1.00 0.00 H new ATOM 745 N THR A 51 -12.225 -3.181 -4.746 1.00 0.00 N ATOM 746 CA THR A 51 -12.233 -4.369 -5.571 1.00 0.00 C ATOM 747 C THR A 51 -10.802 -4.752 -5.888 1.00 0.00 C ATOM 748 O THR A 51 -9.930 -3.879 -5.959 1.00 0.00 O ATOM 749 CB THR A 51 -13.024 -4.145 -6.882 1.00 0.00 C ATOM 750 OG1 THR A 51 -13.063 -5.351 -7.655 1.00 0.00 O ATOM 751 CG2 THR A 51 -12.408 -3.032 -7.718 1.00 0.00 C ATOM 0 H THR A 51 -11.773 -2.375 -5.177 1.00 0.00 H new ATOM 0 HA THR A 51 -12.727 -5.172 -5.024 1.00 0.00 H new ATOM 0 HB THR A 51 -14.038 -3.854 -6.607 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.568 -5.194 -8.480 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.987 -2.900 -8.632 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.413 -2.103 -7.148 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.382 -3.295 -7.974 1.00 0.00 H new ATOM 759 N CYS A 52 -10.535 -6.031 -6.068 1.00 0.00 N ATOM 760 CA CYS A 52 -9.215 -6.420 -6.480 1.00 0.00 C ATOM 761 C CYS A 52 -9.202 -6.328 -7.987 1.00 0.00 C ATOM 762 O CYS A 52 -10.022 -6.961 -8.656 1.00 0.00 O ATOM 763 CB CYS A 52 -8.903 -7.842 -6.010 1.00 0.00 C ATOM 764 SG CYS A 52 -7.170 -8.340 -6.232 1.00 0.00 S ATOM 0 H CYS A 52 -11.199 -6.794 -5.938 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.452 -5.775 -6.044 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -9.161 -7.928 -4.954 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -9.541 -8.540 -6.552 1.00 0.00 H new ATOM 769 N ASP A 53 -8.219 -5.601 -8.500 1.00 0.00 N ATOM 770 CA ASP A 53 -8.266 -5.045 -9.852 1.00 0.00 C ATOM 771 C ASP A 53 -7.505 -3.733 -9.855 1.00 0.00 C ATOM 772 O ASP A 53 -6.539 -3.554 -10.591 1.00 0.00 O ATOM 773 CB ASP A 53 -9.714 -4.750 -10.279 1.00 0.00 C ATOM 774 CG ASP A 53 -9.819 -4.158 -11.667 1.00 0.00 C ATOM 775 OD1 ASP A 53 -9.749 -2.921 -11.795 1.00 0.00 O ATOM 776 OD2 ASP A 53 -10.008 -4.926 -12.632 1.00 0.00 O ATOM 0 H ASP A 53 -7.363 -5.378 -7.992 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.830 -5.768 -10.541 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.292 -5.673 -10.240 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.164 -4.062 -9.563 1.00 0.00 H new ATOM 781 N ILE A 54 -7.941 -2.830 -8.978 1.00 0.00 N ATOM 782 CA ILE A 54 -7.381 -1.495 -8.892 1.00 0.00 C ATOM 783 C ILE A 54 -6.090 -1.533 -8.110 1.00 0.00 C ATOM 784 O ILE A 54 -6.120 -1.564 -6.879 1.00 0.00 O ATOM 785 CB ILE A 54 -8.336 -0.524 -8.179 1.00 0.00 C ATOM 786 CG1 ILE A 54 -9.712 -0.538 -8.852 1.00 0.00 C ATOM 787 CG2 ILE A 54 -7.737 0.879 -8.169 1.00 0.00 C ATOM 788 CD1 ILE A 54 -10.765 0.241 -8.094 1.00 0.00 C ATOM 0 H ILE A 54 -8.691 -3.009 -8.311 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.213 -1.148 -9.911 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.469 -0.845 -7.146 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.620 -0.126 -9.857 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.044 -1.571 -8.960 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.419 1.562 -7.662 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.782 0.863 -7.644 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.582 1.216 -9.194 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.713 0.187 -8.629 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.886 -0.185 -7.098 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -10.456 1.283 -8.008 1.00 0.00 H new ATOM 800 N ASN A 55 -4.971 -1.557 -8.817 1.00 0.00 N ATOM 801 CA ASN A 55 -3.670 -1.642 -8.172 1.00 0.00 C ATOM 802 C ASN A 55 -3.649 -2.869 -7.276 1.00 0.00 C ATOM 803 O ASN A 55 -3.204 -2.814 -6.133 1.00 0.00 O ATOM 804 CB ASN A 55 -3.406 -0.369 -7.361 1.00 0.00 C ATOM 805 CG ASN A 55 -1.955 -0.180 -6.973 1.00 0.00 C ATOM 806 OD1 ASN A 55 -1.639 -0.521 -5.748 1.00 0.00 O flip ATOM 807 ND2 ASN A 55 -1.144 0.312 -7.756 1.00 0.00 N flip ATOM 0 H ASN A 55 -4.937 -1.519 -9.836 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.884 -1.733 -8.922 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.732 0.494 -7.941 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.014 -0.393 -6.457 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.435 0.562 -8.701 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.181 0.470 -7.460 1.00 0.00 H new ATOM 814 N ASN A 56 -4.198 -3.969 -7.797 1.00 0.00 N ATOM 815 CA ASN A 56 -4.279 -5.228 -7.061 1.00 0.00 C ATOM 816 C ASN A 56 -5.095 -5.018 -5.797 1.00 0.00 C ATOM 817 O ASN A 56 -4.734 -5.506 -4.749 1.00 0.00 O ATOM 818 CB ASN A 56 -2.886 -5.765 -6.665 1.00 0.00 C ATOM 819 CG ASN A 56 -1.764 -5.284 -7.542 1.00 0.00 C ATOM 820 OD1 ASN A 56 -0.749 -4.752 -6.900 1.00 0.00 O flip ATOM 821 ND2 ASN A 56 -1.825 -5.350 -8.772 1.00 0.00 N flip ATOM 0 H ASN A 56 -4.596 -4.010 -8.735 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.750 -5.960 -7.717 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.677 -5.474 -5.636 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.909 -6.854 -6.690 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.637 -5.774 -9.220 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.063 -4.981 -9.341 1.00 0.00 H new ATOM 828 N GLY A 57 -6.166 -4.236 -5.887 1.00 0.00 N ATOM 829 CA GLY A 57 -7.006 -3.995 -4.732 1.00 0.00 C ATOM 830 C GLY A 57 -6.428 -2.953 -3.788 1.00 0.00 C ATOM 831 O GLY A 57 -7.041 -2.622 -2.773 1.00 0.00 O ATOM 0 H GLY A 57 -6.466 -3.765 -6.741 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.991 -3.668 -5.067 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.147 -4.930 -4.190 1.00 0.00 H new ATOM 835 N GLY A 58 -5.265 -2.418 -4.131 1.00 0.00 N ATOM 836 CA GLY A 58 -4.594 -1.491 -3.244 1.00 0.00 C ATOM 837 C GLY A 58 -3.299 -2.070 -2.702 1.00 0.00 C ATOM 838 O GLY A 58 -2.693 -1.525 -1.787 1.00 0.00 O ATOM 0 H GLY A 58 -4.775 -2.609 -5.005 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.383 -0.564 -3.778 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.255 -1.238 -2.415 1.00 0.00 H new ATOM 842 N CYS A 59 -2.859 -3.147 -3.327 1.00 0.00 N ATOM 843 CA CYS A 59 -1.687 -3.900 -2.903 1.00 0.00 C ATOM 844 C CYS A 59 -0.535 -3.607 -3.832 1.00 0.00 C ATOM 845 O CYS A 59 -0.635 -2.800 -4.750 1.00 0.00 O ATOM 846 CB CYS A 59 -1.941 -5.411 -2.952 1.00 0.00 C ATOM 847 SG CYS A 59 -3.551 -5.966 -2.295 1.00 0.00 S ATOM 0 H CYS A 59 -3.311 -3.531 -4.157 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.461 -3.601 -1.879 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.859 -5.741 -3.988 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.150 -5.912 -2.394 1.00 0.00 H new ATOM 852 N ASP A 60 0.548 -4.288 -3.593 1.00 0.00 N ATOM 853 CA ASP A 60 1.719 -4.184 -4.426 1.00 0.00 C ATOM 854 C ASP A 60 1.660 -5.356 -5.368 1.00 0.00 C ATOM 855 O ASP A 60 1.145 -6.398 -5.003 1.00 0.00 O ATOM 856 CB ASP A 60 2.948 -4.294 -3.531 1.00 0.00 C ATOM 857 CG ASP A 60 4.258 -4.005 -4.243 1.00 0.00 C ATOM 858 OD1 ASP A 60 4.736 -4.881 -4.994 1.00 0.00 O ATOM 859 OD2 ASP A 60 4.824 -2.914 -4.032 1.00 0.00 O ATOM 0 H ASP A 60 0.648 -4.936 -2.811 1.00 0.00 H new ATOM 0 HA ASP A 60 1.766 -3.244 -4.975 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.840 -3.602 -2.696 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.989 -5.298 -3.109 1.00 0.00 H new ATOM 864 N PRO A 61 2.070 -5.168 -6.630 1.00 0.00 N ATOM 865 CA PRO A 61 1.937 -6.202 -7.658 1.00 0.00 C ATOM 866 C PRO A 61 2.625 -7.504 -7.265 1.00 0.00 C ATOM 867 O PRO A 61 2.426 -8.543 -7.897 1.00 0.00 O ATOM 868 CB PRO A 61 2.622 -5.600 -8.883 1.00 0.00 C ATOM 869 CG PRO A 61 2.694 -4.134 -8.639 1.00 0.00 C ATOM 870 CD PRO A 61 2.660 -3.928 -7.154 1.00 0.00 C ATOM 0 HA PRO A 61 0.892 -6.462 -7.825 1.00 0.00 H new ATOM 0 HB2 PRO A 61 3.618 -6.022 -9.019 1.00 0.00 H new ATOM 0 HB3 PRO A 61 2.058 -5.817 -9.790 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.607 -3.718 -9.064 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.858 -3.623 -9.117 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.660 -3.762 -6.752 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.060 -3.058 -6.886 1.00 0.00 H new ATOM 878 N THR A 62 3.448 -7.420 -6.234 1.00 0.00 N ATOM 879 CA THR A 62 4.125 -8.573 -5.685 1.00 0.00 C ATOM 880 C THR A 62 3.315 -9.158 -4.529 1.00 0.00 C ATOM 881 O THR A 62 3.461 -10.326 -4.170 1.00 0.00 O ATOM 882 CB THR A 62 5.530 -8.162 -5.216 1.00 0.00 C ATOM 883 OG1 THR A 62 5.437 -7.289 -4.079 1.00 0.00 O ATOM 884 CG2 THR A 62 6.241 -7.432 -6.342 1.00 0.00 C ATOM 0 H THR A 62 3.664 -6.545 -5.755 1.00 0.00 H new ATOM 0 HA THR A 62 4.220 -9.341 -6.453 1.00 0.00 H new ATOM 0 HB THR A 62 6.087 -9.057 -4.938 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.181 -6.391 -4.376 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.238 -7.139 -6.013 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.323 -8.090 -7.207 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.673 -6.543 -6.615 1.00 0.00 H new ATOM 892 N ALA A 63 2.444 -8.329 -3.965 1.00 0.00 N ATOM 893 CA ALA A 63 1.507 -8.755 -2.941 1.00 0.00 C ATOM 894 C ALA A 63 0.316 -9.465 -3.576 1.00 0.00 C ATOM 895 O ALA A 63 -0.414 -8.875 -4.372 1.00 0.00 O ATOM 896 CB ALA A 63 1.023 -7.551 -2.131 1.00 0.00 C ATOM 0 H ALA A 63 2.370 -7.341 -4.208 1.00 0.00 H new ATOM 0 HA ALA A 63 2.017 -9.449 -2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.321 -7.885 -1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.875 -7.067 -1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.527 -6.842 -2.794 1.00 0.00 H new ATOM 902 N SER A 64 0.136 -10.732 -3.237 1.00 0.00 N ATOM 903 CA SER A 64 -1.018 -11.484 -3.659 1.00 0.00 C ATOM 904 C SER A 64 -2.286 -10.826 -3.140 1.00 0.00 C ATOM 905 O SER A 64 -2.458 -10.671 -1.930 1.00 0.00 O ATOM 906 CB SER A 64 -0.900 -12.900 -3.128 1.00 0.00 C ATOM 907 OG SER A 64 -0.336 -13.772 -4.092 1.00 0.00 O ATOM 0 H SER A 64 0.791 -11.261 -2.661 1.00 0.00 H new ATOM 0 HA SER A 64 -1.067 -11.508 -4.748 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.283 -12.902 -2.229 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.886 -13.264 -2.839 1.00 0.00 H new ATOM 0 HG SER A 64 -0.272 -14.676 -3.718 1.00 0.00 H new ATOM 913 N CYS A 65 -3.155 -10.423 -4.052 1.00 0.00 N ATOM 914 CA CYS A 65 -4.377 -9.738 -3.674 1.00 0.00 C ATOM 915 C CYS A 65 -5.578 -10.662 -3.718 1.00 0.00 C ATOM 916 O CYS A 65 -5.725 -11.485 -4.624 1.00 0.00 O ATOM 917 CB CYS A 65 -4.639 -8.535 -4.575 1.00 0.00 C ATOM 918 SG CYS A 65 -6.333 -7.881 -4.443 1.00 0.00 S ATOM 0 H CYS A 65 -3.037 -10.558 -5.056 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.235 -9.397 -2.649 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.932 -7.744 -4.325 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.447 -8.818 -5.610 1.00 0.00 H new ATOM 923 N GLN A 66 -6.422 -10.511 -2.720 1.00 0.00 N ATOM 924 CA GLN A 66 -7.686 -11.221 -2.636 1.00 0.00 C ATOM 925 C GLN A 66 -8.790 -10.214 -2.371 1.00 0.00 C ATOM 926 O GLN A 66 -8.644 -9.366 -1.491 1.00 0.00 O ATOM 927 CB GLN A 66 -7.659 -12.220 -1.479 1.00 0.00 C ATOM 928 CG GLN A 66 -6.303 -12.852 -1.254 1.00 0.00 C ATOM 929 CD GLN A 66 -6.128 -14.160 -1.996 1.00 0.00 C ATOM 930 OE1 GLN A 66 -5.718 -14.181 -3.154 1.00 0.00 O ATOM 931 NE2 GLN A 66 -6.420 -15.264 -1.326 1.00 0.00 N ATOM 0 H GLN A 66 -6.250 -9.885 -1.933 1.00 0.00 H new ATOM 0 HA GLN A 66 -7.858 -11.755 -3.571 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.970 -11.713 -0.565 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.389 -13.006 -1.672 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.527 -12.155 -1.570 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.161 -13.024 -0.187 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.758 -15.203 -0.366 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -6.307 -16.175 -1.770 1.00 0.00 H new ATOM 940 N ASN A 67 -9.875 -10.276 -3.122 1.00 0.00 N ATOM 941 CA ASN A 67 -11.026 -9.442 -2.808 1.00 0.00 C ATOM 942 C ASN A 67 -11.990 -10.184 -1.913 1.00 0.00 C ATOM 943 O ASN A 67 -12.392 -11.315 -2.192 1.00 0.00 O ATOM 944 CB ASN A 67 -11.741 -8.885 -4.045 1.00 0.00 C ATOM 945 CG ASN A 67 -11.730 -9.793 -5.260 1.00 0.00 C ATOM 946 OD1 ASN A 67 -11.683 -9.316 -6.392 1.00 0.00 O ATOM 947 ND2 ASN A 67 -11.795 -11.088 -5.047 1.00 0.00 N ATOM 0 H ASN A 67 -9.986 -10.880 -3.936 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.637 -8.574 -2.276 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.777 -8.671 -3.781 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.278 -7.936 -4.316 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -11.808 -11.735 -5.836 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -11.833 -11.447 -4.093 1.00 0.00 H new ATOM 954 N ALA A 68 -12.330 -9.524 -0.833 1.00 0.00 N ATOM 955 CA ALA A 68 -13.151 -10.090 0.216 1.00 0.00 C ATOM 956 C ALA A 68 -14.109 -9.046 0.730 1.00 0.00 C ATOM 957 O ALA A 68 -13.994 -7.863 0.403 1.00 0.00 O ATOM 958 CB ALA A 68 -12.267 -10.604 1.338 1.00 0.00 C ATOM 0 H ALA A 68 -12.041 -8.563 -0.653 1.00 0.00 H new ATOM 0 HA ALA A 68 -13.727 -10.925 -0.182 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -12.889 -11.029 2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.597 -11.371 0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.679 -9.781 1.744 1.00 0.00 H new ATOM 964 N GLU A 69 -15.052 -9.485 1.527 1.00 0.00 N ATOM 965 CA GLU A 69 -16.076 -8.613 2.038 1.00 0.00 C ATOM 966 C GLU A 69 -16.099 -8.643 3.554 1.00 0.00 C ATOM 967 O GLU A 69 -16.070 -9.709 4.167 1.00 0.00 O ATOM 968 CB GLU A 69 -17.422 -9.039 1.472 1.00 0.00 C ATOM 969 CG GLU A 69 -17.582 -8.716 -0.006 1.00 0.00 C ATOM 970 CD GLU A 69 -18.879 -9.234 -0.589 1.00 0.00 C ATOM 971 OE1 GLU A 69 -19.021 -10.467 -0.747 1.00 0.00 O ATOM 972 OE2 GLU A 69 -19.770 -8.414 -0.890 1.00 0.00 O ATOM 0 H GLU A 69 -15.130 -10.453 1.838 1.00 0.00 H new ATOM 0 HA GLU A 69 -15.863 -7.589 1.730 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -17.547 -10.112 1.618 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -18.217 -8.547 2.033 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -17.535 -7.636 -0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -16.746 -9.144 -0.558 1.00 0.00 H new ATOM 979 N SER A 70 -16.147 -7.467 4.146 1.00 0.00 N ATOM 980 CA SER A 70 -16.153 -7.332 5.590 1.00 0.00 C ATOM 981 C SER A 70 -16.688 -5.956 5.957 1.00 0.00 C ATOM 982 O SER A 70 -16.861 -5.112 5.084 1.00 0.00 O ATOM 983 CB SER A 70 -14.731 -7.515 6.147 1.00 0.00 C ATOM 984 OG SER A 70 -14.714 -7.470 7.566 1.00 0.00 O ATOM 0 H SER A 70 -16.183 -6.581 3.643 1.00 0.00 H new ATOM 0 HA SER A 70 -16.793 -8.100 6.025 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.327 -8.469 5.808 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.081 -6.735 5.750 1.00 0.00 H new ATOM 0 HG SER A 70 -13.796 -7.591 7.886 1.00 0.00 H new ATOM 990 N THR A 71 -16.947 -5.715 7.227 1.00 0.00 N ATOM 991 CA THR A 71 -17.314 -4.382 7.662 1.00 0.00 C ATOM 992 C THR A 71 -16.089 -3.488 7.523 1.00 0.00 C ATOM 993 O THR A 71 -16.184 -2.296 7.230 1.00 0.00 O ATOM 994 CB THR A 71 -17.830 -4.386 9.118 1.00 0.00 C ATOM 995 OG1 THR A 71 -18.027 -3.045 9.590 1.00 0.00 O ATOM 996 CG2 THR A 71 -16.864 -5.127 10.033 1.00 0.00 C ATOM 0 H THR A 71 -16.911 -6.415 7.968 1.00 0.00 H new ATOM 0 HA THR A 71 -18.128 -4.005 7.042 1.00 0.00 H new ATOM 0 HB THR A 71 -18.788 -4.905 9.133 1.00 0.00 H new ATOM 0 HG1 THR A 71 -18.355 -3.068 10.513 1.00 0.00 H new ATOM 0 HG21 THR A 71 -17.248 -5.117 11.053 1.00 0.00 H new ATOM 0 HG22 THR A 71 -16.761 -6.158 9.695 1.00 0.00 H new ATOM 0 HG23 THR A 71 -15.890 -4.637 10.007 1.00 0.00 H new ATOM 1004 N GLU A 72 -14.937 -4.119 7.683 1.00 0.00 N ATOM 1005 CA GLU A 72 -13.648 -3.482 7.541 1.00 0.00 C ATOM 1006 C GLU A 72 -13.260 -3.363 6.076 1.00 0.00 C ATOM 1007 O GLU A 72 -13.191 -4.360 5.364 1.00 0.00 O ATOM 1008 CB GLU A 72 -12.619 -4.323 8.280 1.00 0.00 C ATOM 1009 CG GLU A 72 -12.454 -3.948 9.733 1.00 0.00 C ATOM 1010 CD GLU A 72 -11.676 -2.660 9.898 1.00 0.00 C ATOM 1011 OE1 GLU A 72 -12.229 -1.580 9.604 1.00 0.00 O ATOM 1012 OE2 GLU A 72 -10.497 -2.727 10.309 1.00 0.00 O ATOM 0 H GLU A 72 -14.876 -5.109 7.920 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.692 -2.476 7.958 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -12.908 -5.372 8.216 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.656 -4.226 7.778 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.436 -3.841 10.194 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.941 -4.752 10.260 1.00 0.00 H new ATOM 1019 N ASN A 73 -13.029 -2.136 5.627 1.00 0.00 N ATOM 1020 CA ASN A 73 -12.570 -1.886 4.262 1.00 0.00 C ATOM 1021 C ASN A 73 -11.153 -2.413 4.061 1.00 0.00 C ATOM 1022 O ASN A 73 -10.839 -2.978 3.016 1.00 0.00 O ATOM 1023 CB ASN A 73 -12.636 -0.385 3.911 1.00 0.00 C ATOM 1024 CG ASN A 73 -12.162 0.527 5.035 1.00 0.00 C ATOM 1025 OD1 ASN A 73 -11.281 0.177 5.819 1.00 0.00 O ATOM 1026 ND2 ASN A 73 -12.758 1.705 5.128 1.00 0.00 N ATOM 0 H ASN A 73 -13.152 -1.294 6.189 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.240 -2.420 3.589 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -12.029 -0.201 3.025 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -13.663 -0.126 3.653 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -12.490 2.355 5.867 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -13.485 1.963 4.461 1.00 0.00 H new ATOM 1033 N SER A 74 -10.310 -2.249 5.071 1.00 0.00 N ATOM 1034 CA SER A 74 -8.929 -2.707 4.999 1.00 0.00 C ATOM 1035 C SER A 74 -8.873 -4.226 5.066 1.00 0.00 C ATOM 1036 O SER A 74 -7.906 -4.854 4.633 1.00 0.00 O ATOM 1037 CB SER A 74 -8.098 -2.090 6.132 1.00 0.00 C ATOM 1038 OG SER A 74 -6.740 -2.497 6.059 1.00 0.00 O ATOM 0 H SER A 74 -10.559 -1.801 5.953 1.00 0.00 H new ATOM 0 HA SER A 74 -8.506 -2.385 4.048 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.157 -1.003 6.078 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.517 -2.385 7.094 1.00 0.00 H new ATOM 0 HG SER A 74 -6.178 -1.724 5.844 1.00 0.00 H new ATOM 1044 N LYS A 75 -9.936 -4.814 5.591 1.00 0.00 N ATOM 1045 CA LYS A 75 -10.028 -6.254 5.724 1.00 0.00 C ATOM 1046 C LYS A 75 -10.700 -6.851 4.497 1.00 0.00 C ATOM 1047 O LYS A 75 -10.911 -8.060 4.411 1.00 0.00 O ATOM 1048 CB LYS A 75 -10.802 -6.595 6.997 1.00 0.00 C ATOM 1049 CG LYS A 75 -10.719 -8.040 7.430 1.00 0.00 C ATOM 1050 CD LYS A 75 -9.274 -8.480 7.615 1.00 0.00 C ATOM 1051 CE LYS A 75 -8.468 -7.441 8.374 1.00 0.00 C ATOM 1052 NZ LYS A 75 -7.065 -7.870 8.599 1.00 0.00 N ATOM 0 H LYS A 75 -10.753 -4.308 5.934 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.028 -6.681 5.798 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.432 -5.967 7.808 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.850 -6.337 6.847 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.264 -8.174 8.364 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.202 -8.673 6.686 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.247 -9.427 8.154 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.818 -8.655 6.640 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.474 -6.503 7.819 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.944 -7.246 9.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.555 -7.129 9.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.056 -8.751 9.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.600 -8.031 7.683 1.00 0.00 H new ATOM 1066 N LYS A 76 -11.024 -5.996 3.539 1.00 0.00 N ATOM 1067 CA LYS A 76 -11.637 -6.460 2.315 1.00 0.00 C ATOM 1068 C LYS A 76 -10.580 -6.966 1.357 1.00 0.00 C ATOM 1069 O LYS A 76 -10.672 -8.064 0.831 1.00 0.00 O ATOM 1070 CB LYS A 76 -12.420 -5.374 1.618 1.00 0.00 C ATOM 1071 CG LYS A 76 -13.554 -4.799 2.433 1.00 0.00 C ATOM 1072 CD LYS A 76 -14.431 -3.929 1.560 1.00 0.00 C ATOM 1073 CE LYS A 76 -15.123 -2.812 2.316 1.00 0.00 C ATOM 1074 NZ LYS A 76 -15.798 -3.295 3.544 1.00 0.00 N ATOM 0 H LYS A 76 -10.873 -4.989 3.589 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.321 -7.261 2.596 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.738 -4.568 1.348 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.824 -5.774 0.688 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.145 -5.605 2.868 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.156 -4.213 3.262 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.823 -3.496 0.766 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.185 -4.553 1.080 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.391 -2.050 2.583 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.856 -2.336 1.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.735 -2.850 3.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.909 -4.328 3.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.225 -3.047 4.376 1.00 0.00 H new ATOM 1088 N ILE A 77 -9.584 -6.138 1.114 1.00 0.00 N ATOM 1089 CA ILE A 77 -8.531 -6.499 0.191 1.00 0.00 C ATOM 1090 C ILE A 77 -7.372 -7.116 0.944 1.00 0.00 C ATOM 1091 O ILE A 77 -6.748 -6.482 1.796 1.00 0.00 O ATOM 1092 CB ILE A 77 -8.032 -5.288 -0.622 1.00 0.00 C ATOM 1093 CG1 ILE A 77 -9.188 -4.630 -1.370 1.00 0.00 C ATOM 1094 CG2 ILE A 77 -6.951 -5.701 -1.607 1.00 0.00 C ATOM 1095 CD1 ILE A 77 -9.924 -5.582 -2.283 1.00 0.00 C ATOM 0 H ILE A 77 -9.483 -5.217 1.540 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.947 -7.222 -0.510 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.608 -4.569 0.079 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -9.890 -4.214 -0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.804 -3.796 -1.958 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.617 -4.828 -2.167 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.108 -6.128 -1.064 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.352 -6.443 -2.297 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.734 -5.052 -2.785 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.234 -5.979 -3.027 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.336 -6.403 -1.696 1.00 0.00 H new ATOM 1107 N ILE A 78 -7.108 -8.364 0.635 1.00 0.00 N ATOM 1108 CA ILE A 78 -6.032 -9.094 1.269 1.00 0.00 C ATOM 1109 C ILE A 78 -4.771 -8.984 0.437 1.00 0.00 C ATOM 1110 O ILE A 78 -4.724 -9.452 -0.698 1.00 0.00 O ATOM 1111 CB ILE A 78 -6.381 -10.584 1.463 1.00 0.00 C ATOM 1112 CG1 ILE A 78 -7.610 -10.750 2.354 1.00 0.00 C ATOM 1113 CG2 ILE A 78 -5.201 -11.339 2.045 1.00 0.00 C ATOM 1114 CD1 ILE A 78 -8.916 -10.532 1.627 1.00 0.00 C ATOM 0 H ILE A 78 -7.629 -8.901 -0.059 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.875 -8.651 2.252 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.613 -11.002 0.484 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.605 -11.752 2.783 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.544 -10.047 3.185 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.468 -12.388 2.174 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.350 -11.262 1.368 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.936 -10.911 3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.746 -10.666 2.321 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.942 -9.521 1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.004 -11.252 0.813 1.00 0.00 H new ATOM 1126 N CYS A 79 -3.763 -8.348 0.999 1.00 0.00 N ATOM 1127 CA CYS A 79 -2.490 -8.197 0.325 1.00 0.00 C ATOM 1128 C CYS A 79 -1.417 -8.995 1.046 1.00 0.00 C ATOM 1129 O CYS A 79 -1.047 -8.687 2.180 1.00 0.00 O ATOM 1130 CB CYS A 79 -2.107 -6.727 0.264 1.00 0.00 C ATOM 1131 SG CYS A 79 -3.454 -5.650 -0.299 1.00 0.00 S ATOM 0 H CYS A 79 -3.802 -7.925 1.926 1.00 0.00 H new ATOM 0 HA CYS A 79 -2.580 -8.578 -0.692 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.783 -6.403 1.253 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.255 -6.609 -0.405 1.00 0.00 H new ATOM 1136 N THR A 80 -0.930 -10.022 0.381 1.00 0.00 N ATOM 1137 CA THR A 80 0.056 -10.917 0.951 1.00 0.00 C ATOM 1138 C THR A 80 1.352 -10.860 0.156 1.00 0.00 C ATOM 1139 O THR A 80 1.394 -11.266 -1.002 1.00 0.00 O ATOM 1140 CB THR A 80 -0.469 -12.367 0.964 1.00 0.00 C ATOM 1141 OG1 THR A 80 -1.592 -12.476 1.849 1.00 0.00 O ATOM 1142 CG2 THR A 80 0.618 -13.342 1.388 1.00 0.00 C ATOM 0 H THR A 80 -1.207 -10.260 -0.571 1.00 0.00 H new ATOM 0 HA THR A 80 0.247 -10.596 1.975 1.00 0.00 H new ATOM 0 HB THR A 80 -0.780 -12.622 -0.049 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.920 -13.400 1.849 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.218 -14.356 1.388 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.453 -13.281 0.690 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.963 -13.089 2.390 1.00 0.00 H new ATOM 1150 N CYS A 81 2.408 -10.371 0.778 1.00 0.00 N ATOM 1151 CA CYS A 81 3.686 -10.261 0.104 1.00 0.00 C ATOM 1152 C CYS A 81 4.390 -11.612 0.153 1.00 0.00 C ATOM 1153 O CYS A 81 4.217 -12.383 1.101 1.00 0.00 O ATOM 1154 CB CYS A 81 4.538 -9.177 0.759 1.00 0.00 C ATOM 1155 SG CYS A 81 3.623 -7.644 1.127 1.00 0.00 S ATOM 0 H CYS A 81 2.406 -10.045 1.745 1.00 0.00 H new ATOM 0 HA CYS A 81 3.531 -9.978 -0.937 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.959 -9.569 1.685 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.376 -8.940 0.103 1.00 0.00 H new ATOM 1160 N LYS A 82 5.166 -11.898 -0.878 1.00 0.00 N ATOM 1161 CA LYS A 82 5.725 -13.225 -1.074 1.00 0.00 C ATOM 1162 C LYS A 82 6.927 -13.489 -0.166 1.00 0.00 C ATOM 1163 O LYS A 82 7.314 -12.638 0.634 1.00 0.00 O ATOM 1164 CB LYS A 82 6.127 -13.415 -2.535 1.00 0.00 C ATOM 1165 CG LYS A 82 5.033 -13.066 -3.517 1.00 0.00 C ATOM 1166 CD LYS A 82 3.711 -13.706 -3.150 1.00 0.00 C ATOM 1167 CE LYS A 82 2.639 -13.307 -4.136 1.00 0.00 C ATOM 1168 NZ LYS A 82 2.765 -14.033 -5.428 1.00 0.00 N ATOM 0 H LYS A 82 5.425 -11.223 -1.598 1.00 0.00 H new ATOM 0 HA LYS A 82 4.950 -13.944 -0.808 1.00 0.00 H new ATOM 0 HB2 LYS A 82 7.001 -12.799 -2.745 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.424 -14.453 -2.689 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.913 -11.983 -3.555 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.327 -13.389 -4.516 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.816 -14.791 -3.137 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.420 -13.402 -2.144 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.658 -13.506 -3.704 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.696 -12.234 -4.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.009 -13.727 -6.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.690 -13.824 -5.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.684 -15.056 -5.261 1.00 0.00 H new ATOM 1182 N GLU A 83 7.510 -14.669 -0.307 1.00 0.00 N ATOM 1183 CA GLU A 83 8.685 -15.063 0.471 1.00 0.00 C ATOM 1184 C GLU A 83 9.893 -14.113 0.310 1.00 0.00 C ATOM 1185 O GLU A 83 10.559 -13.817 1.305 1.00 0.00 O ATOM 1186 CB GLU A 83 9.096 -16.485 0.110 1.00 0.00 C ATOM 1187 CG GLU A 83 7.989 -17.494 0.314 1.00 0.00 C ATOM 1188 CD GLU A 83 8.446 -18.909 0.063 1.00 0.00 C ATOM 1189 OE1 GLU A 83 8.621 -19.279 -1.117 1.00 0.00 O ATOM 1190 OE2 GLU A 83 8.642 -19.658 1.042 1.00 0.00 O ATOM 0 H GLU A 83 7.187 -15.382 -0.961 1.00 0.00 H new ATOM 0 HA GLU A 83 8.387 -15.004 1.518 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.415 -16.511 -0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.957 -16.772 0.714 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.611 -17.413 1.333 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.160 -17.259 -0.353 1.00 0.00 H new ATOM 1197 N PRO A 84 10.213 -13.597 -0.908 1.00 0.00 N ATOM 1198 CA PRO A 84 11.380 -12.740 -1.089 1.00 0.00 C ATOM 1199 C PRO A 84 11.083 -11.323 -0.643 1.00 0.00 C ATOM 1200 O PRO A 84 11.874 -10.403 -0.849 1.00 0.00 O ATOM 1201 CB PRO A 84 11.622 -12.782 -2.591 1.00 0.00 C ATOM 1202 CG PRO A 84 10.271 -12.970 -3.181 1.00 0.00 C ATOM 1203 CD PRO A 84 9.468 -13.750 -2.172 1.00 0.00 C ATOM 0 HA PRO A 84 12.240 -13.069 -0.505 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.085 -11.860 -2.944 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.291 -13.599 -2.863 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.802 -12.009 -3.390 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.332 -13.508 -4.127 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.454 -13.360 -2.085 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.383 -14.798 -2.458 1.00 0.00 H new ATOM 1211 N THR A 85 9.910 -11.164 -0.058 1.00 0.00 N ATOM 1212 CA THR A 85 9.460 -9.889 0.437 1.00 0.00 C ATOM 1213 C THR A 85 9.010 -10.043 1.893 1.00 0.00 C ATOM 1214 O THR A 85 7.817 -10.045 2.194 1.00 0.00 O ATOM 1215 CB THR A 85 8.306 -9.339 -0.441 1.00 0.00 C ATOM 1216 OG1 THR A 85 7.126 -10.118 -0.269 1.00 0.00 O ATOM 1217 CG2 THR A 85 8.671 -9.376 -1.914 1.00 0.00 C ATOM 0 H THR A 85 9.244 -11.923 0.085 1.00 0.00 H new ATOM 0 HA THR A 85 10.281 -9.174 0.391 1.00 0.00 H new ATOM 0 HB THR A 85 8.133 -8.310 -0.126 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.021 -10.348 0.678 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.842 -8.984 -2.504 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.558 -8.766 -2.084 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.875 -10.404 -2.213 1.00 0.00 H new ATOM 1225 N PRO A 86 9.966 -10.174 2.827 1.00 0.00 N ATOM 1226 CA PRO A 86 9.669 -10.474 4.233 1.00 0.00 C ATOM 1227 C PRO A 86 8.977 -9.312 4.925 1.00 0.00 C ATOM 1228 O PRO A 86 8.510 -9.426 6.060 1.00 0.00 O ATOM 1229 CB PRO A 86 11.056 -10.706 4.851 1.00 0.00 C ATOM 1230 CG PRO A 86 11.977 -10.881 3.700 1.00 0.00 C ATOM 1231 CD PRO A 86 11.411 -10.032 2.612 1.00 0.00 C ATOM 0 HA PRO A 86 8.994 -11.324 4.337 1.00 0.00 H new ATOM 0 HB2 PRO A 86 11.357 -9.860 5.470 1.00 0.00 H new ATOM 0 HB3 PRO A 86 11.058 -11.587 5.493 1.00 0.00 H new ATOM 0 HG2 PRO A 86 12.990 -10.570 3.956 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.032 -11.926 3.395 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.735 -8.995 2.695 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.712 -10.382 1.624 1.00 0.00 H new ATOM 1239 N ASN A 87 8.914 -8.198 4.220 1.00 0.00 N ATOM 1240 CA ASN A 87 8.393 -6.971 4.765 1.00 0.00 C ATOM 1241 C ASN A 87 7.317 -6.408 3.849 1.00 0.00 C ATOM 1242 O ASN A 87 7.430 -6.488 2.627 1.00 0.00 O ATOM 1243 CB ASN A 87 9.527 -5.959 4.905 1.00 0.00 C ATOM 1244 CG ASN A 87 10.731 -6.508 5.648 1.00 0.00 C ATOM 1245 OD1 ASN A 87 11.772 -6.882 4.903 1.00 0.00 O flip ATOM 1246 ND2 ASN A 87 10.747 -6.556 6.873 1.00 0.00 N flip ATOM 0 H ASN A 87 9.225 -8.125 3.251 1.00 0.00 H new ATOM 0 HA ASN A 87 7.956 -7.170 5.743 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.838 -5.633 3.913 1.00 0.00 H new ATOM 0 HB3 ASN A 87 9.156 -5.078 5.428 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.929 -6.260 7.406 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.578 -6.892 7.359 1.00 0.00 H new ATOM 1253 N ALA A 88 6.272 -5.861 4.433 1.00 0.00 N ATOM 1254 CA ALA A 88 5.249 -5.173 3.664 1.00 0.00 C ATOM 1255 C ALA A 88 5.191 -3.718 4.087 1.00 0.00 C ATOM 1256 O ALA A 88 5.479 -3.394 5.240 1.00 0.00 O ATOM 1257 CB ALA A 88 3.899 -5.836 3.856 1.00 0.00 C ATOM 0 H ALA A 88 6.106 -5.878 5.439 1.00 0.00 H new ATOM 0 HA ALA A 88 5.503 -5.228 2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.147 -5.306 3.272 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.952 -6.873 3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.626 -5.807 4.911 1.00 0.00 H new ATOM 1263 N TYR A 89 4.845 -2.831 3.170 1.00 0.00 N ATOM 1264 CA TYR A 89 4.762 -1.431 3.512 1.00 0.00 C ATOM 1265 C TYR A 89 3.346 -0.996 3.744 1.00 0.00 C ATOM 1266 O TYR A 89 2.472 -1.091 2.874 1.00 0.00 O ATOM 1267 CB TYR A 89 5.582 -0.559 2.554 1.00 0.00 C ATOM 1268 CG TYR A 89 6.876 -0.329 3.241 1.00 0.00 C ATOM 1269 CD1 TYR A 89 7.810 -1.334 3.282 1.00 0.00 C ATOM 1270 CD2 TYR A 89 7.108 0.831 3.964 1.00 0.00 C ATOM 1271 CE1 TYR A 89 8.942 -1.202 4.016 1.00 0.00 C ATOM 1272 CE2 TYR A 89 8.266 0.983 4.688 1.00 0.00 C ATOM 1273 CZ TYR A 89 9.175 -0.049 4.717 1.00 0.00 C ATOM 1274 OH TYR A 89 10.306 0.052 5.473 1.00 0.00 O ATOM 0 H TYR A 89 4.621 -3.054 2.200 1.00 0.00 H new ATOM 0 HA TYR A 89 5.243 -1.279 4.478 1.00 0.00 H new ATOM 0 HB2 TYR A 89 5.729 -1.058 1.596 1.00 0.00 H new ATOM 0 HB3 TYR A 89 5.074 0.383 2.348 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.641 -2.242 2.722 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.372 1.622 3.958 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.661 -2.007 4.048 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.460 1.899 5.226 1.00 0.00 H new ATOM 0 HH TYR A 89 10.061 0.201 6.410 1.00 0.00 H new ATOM 1284 N TYR A 90 3.148 -0.566 4.982 1.00 0.00 N ATOM 1285 CA TYR A 90 1.845 -0.409 5.572 1.00 0.00 C ATOM 1286 C TYR A 90 1.168 -1.767 5.689 1.00 0.00 C ATOM 1287 O TYR A 90 1.821 -2.744 6.047 1.00 0.00 O ATOM 1288 CB TYR A 90 1.006 0.626 4.826 1.00 0.00 C ATOM 1289 CG TYR A 90 0.778 1.838 5.683 1.00 0.00 C ATOM 1290 CD1 TYR A 90 -0.204 1.847 6.662 1.00 0.00 C ATOM 1291 CD2 TYR A 90 1.583 2.949 5.548 1.00 0.00 C ATOM 1292 CE1 TYR A 90 -0.383 2.948 7.477 1.00 0.00 C ATOM 1293 CE2 TYR A 90 1.421 4.048 6.358 1.00 0.00 C ATOM 1294 CZ TYR A 90 0.437 4.046 7.319 1.00 0.00 C ATOM 1295 OH TYR A 90 0.274 5.146 8.125 1.00 0.00 O ATOM 0 H TYR A 90 3.911 -0.314 5.610 1.00 0.00 H new ATOM 0 HA TYR A 90 1.954 -0.012 6.581 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.511 0.915 3.904 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.049 0.190 4.542 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -0.837 0.982 6.789 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.355 2.956 4.792 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.157 2.949 8.230 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.063 4.908 6.240 1.00 0.00 H new ATOM 0 HH TYR A 90 0.933 5.830 7.883 1.00 0.00 H new ATOM 1305 N GLU A 91 -0.107 -1.857 5.379 1.00 0.00 N ATOM 1306 CA GLU A 91 -0.845 -3.089 5.643 1.00 0.00 C ATOM 1307 C GLU A 91 -0.591 -4.152 4.566 1.00 0.00 C ATOM 1308 O GLU A 91 -1.182 -5.234 4.587 1.00 0.00 O ATOM 1309 CB GLU A 91 -2.334 -2.771 5.753 1.00 0.00 C ATOM 1310 CG GLU A 91 -2.606 -1.467 6.485 1.00 0.00 C ATOM 1311 CD GLU A 91 -4.045 -1.325 6.923 1.00 0.00 C ATOM 1312 OE1 GLU A 91 -4.406 -1.895 7.971 1.00 0.00 O ATOM 1313 OE2 GLU A 91 -4.818 -0.636 6.224 1.00 0.00 O ATOM 0 H GLU A 91 -0.654 -1.110 4.951 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.491 -3.507 6.586 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.764 -2.717 4.753 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.837 -3.586 6.273 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.958 -1.406 7.359 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.345 -0.631 5.836 1.00 0.00 H new ATOM 1320 N GLY A 92 0.327 -3.858 3.655 1.00 0.00 N ATOM 1321 CA GLY A 92 0.560 -4.722 2.511 1.00 0.00 C ATOM 1322 C GLY A 92 0.391 -3.957 1.220 1.00 0.00 C ATOM 1323 O GLY A 92 0.229 -4.538 0.150 1.00 0.00 O ATOM 0 H GLY A 92 0.920 -3.029 3.688 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.566 -5.139 2.563 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.135 -5.561 2.536 1.00 0.00 H new ATOM 1327 N VAL A 93 0.428 -2.635 1.340 1.00 0.00 N ATOM 1328 CA VAL A 93 0.206 -1.747 0.222 1.00 0.00 C ATOM 1329 C VAL A 93 1.419 -1.736 -0.709 1.00 0.00 C ATOM 1330 O VAL A 93 1.290 -1.540 -1.917 1.00 0.00 O ATOM 1331 CB VAL A 93 -0.116 -0.319 0.731 1.00 0.00 C ATOM 1332 CG1 VAL A 93 -0.576 0.560 -0.404 1.00 0.00 C ATOM 1333 CG2 VAL A 93 -1.171 -0.368 1.830 1.00 0.00 C ATOM 0 H VAL A 93 0.614 -2.155 2.220 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.649 -2.110 -0.349 1.00 0.00 H new ATOM 0 HB VAL A 93 0.796 0.109 1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.797 1.558 -0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.210 0.623 -1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.474 0.135 -0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.384 0.644 2.175 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.083 -0.818 1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.801 -0.965 2.663 1.00 0.00 H new ATOM 1343 N PHE A 94 2.601 -1.935 -0.139 1.00 0.00 N ATOM 1344 CA PHE A 94 3.795 -2.181 -0.941 1.00 0.00 C ATOM 1345 C PHE A 94 4.527 -3.407 -0.404 1.00 0.00 C ATOM 1346 O PHE A 94 4.363 -3.769 0.757 1.00 0.00 O ATOM 1347 CB PHE A 94 4.815 -1.037 -0.913 1.00 0.00 C ATOM 1348 CG PHE A 94 4.311 0.374 -0.785 1.00 0.00 C ATOM 1349 CD1 PHE A 94 3.552 0.765 0.300 1.00 0.00 C ATOM 1350 CD2 PHE A 94 4.711 1.335 -1.695 1.00 0.00 C ATOM 1351 CE1 PHE A 94 3.201 2.085 0.480 1.00 0.00 C ATOM 1352 CE2 PHE A 94 4.344 2.653 -1.535 1.00 0.00 C ATOM 1353 CZ PHE A 94 3.596 3.029 -0.440 1.00 0.00 C ATOM 0 H PHE A 94 2.759 -1.931 0.869 1.00 0.00 H new ATOM 0 HA PHE A 94 3.432 -2.304 -1.961 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.497 -1.222 -0.083 1.00 0.00 H new ATOM 0 HB3 PHE A 94 5.404 -1.096 -1.828 1.00 0.00 H new ATOM 0 HD1 PHE A 94 3.229 0.026 1.018 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.318 1.049 -2.541 1.00 0.00 H new ATOM 0 HE1 PHE A 94 2.618 2.378 1.340 1.00 0.00 H new ATOM 0 HE2 PHE A 94 4.642 3.390 -2.266 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.320 4.064 -0.304 1.00 0.00 H new ATOM 1363 N CYS A 95 5.343 -4.028 -1.246 1.00 0.00 N ATOM 1364 CA CYS A 95 6.290 -5.050 -0.804 1.00 0.00 C ATOM 1365 C CYS A 95 7.502 -5.023 -1.739 1.00 0.00 C ATOM 1366 O CYS A 95 7.348 -4.832 -2.945 1.00 0.00 O ATOM 1367 CB CYS A 95 5.672 -6.455 -0.804 1.00 0.00 C ATOM 1368 SG CYS A 95 3.865 -6.506 -0.536 1.00 0.00 S ATOM 0 H CYS A 95 5.369 -3.841 -2.248 1.00 0.00 H new ATOM 0 HA CYS A 95 6.581 -4.827 0.222 1.00 0.00 H new ATOM 0 HB2 CYS A 95 5.896 -6.934 -1.757 1.00 0.00 H new ATOM 0 HB3 CYS A 95 6.156 -7.048 -0.028 1.00 0.00 H new ATOM 1373 N SER A 96 8.699 -5.202 -1.197 1.00 0.00 N ATOM 1374 CA SER A 96 9.916 -5.145 -2.007 1.00 0.00 C ATOM 1375 C SER A 96 10.509 -6.539 -2.166 1.00 0.00 C ATOM 1376 O SER A 96 10.649 -7.268 -1.186 1.00 0.00 O ATOM 1377 CB SER A 96 10.937 -4.218 -1.358 1.00 0.00 C ATOM 1378 OG SER A 96 11.864 -3.729 -2.310 1.00 0.00 O ATOM 0 H SER A 96 8.857 -5.387 -0.206 1.00 0.00 H new ATOM 0 HA SER A 96 9.660 -4.756 -2.992 1.00 0.00 H new ATOM 0 HB2 SER A 96 10.423 -3.382 -0.884 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.468 -4.753 -0.571 1.00 0.00 H new ATOM 0 HG SER A 96 12.136 -2.820 -2.065 1.00 0.00 H new ATOM 1384 N SER A 97 10.859 -6.904 -3.390 1.00 0.00 N ATOM 1385 CA SER A 97 11.294 -8.261 -3.681 1.00 0.00 C ATOM 1386 C SER A 97 12.815 -8.402 -3.695 1.00 0.00 C ATOM 1387 O SER A 97 13.547 -7.422 -3.874 1.00 0.00 O ATOM 1388 CB SER A 97 10.712 -8.711 -5.021 1.00 0.00 C ATOM 1389 OG SER A 97 9.309 -8.500 -5.070 1.00 0.00 O ATOM 0 H SER A 97 10.850 -6.280 -4.197 1.00 0.00 H new ATOM 0 HA SER A 97 10.925 -8.900 -2.879 1.00 0.00 H new ATOM 0 HB2 SER A 97 11.193 -8.163 -5.831 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.929 -9.768 -5.178 1.00 0.00 H new ATOM 0 HG SER A 97 8.964 -8.795 -5.939 1.00 0.00 H new ATOM 1395 N SER A 98 13.261 -9.648 -3.500 1.00 0.00 N ATOM 1396 CA SER A 98 14.673 -10.019 -3.529 1.00 0.00 C ATOM 1397 C SER A 98 15.407 -9.469 -2.308 1.00 0.00 C ATOM 1398 O SER A 98 16.218 -8.550 -2.409 1.00 0.00 O ATOM 1399 CB SER A 98 15.335 -9.546 -4.829 1.00 0.00 C ATOM 1400 OG SER A 98 16.639 -10.085 -4.971 1.00 0.00 O ATOM 0 H SER A 98 12.639 -10.435 -3.315 1.00 0.00 H new ATOM 0 HA SER A 98 14.737 -11.107 -3.496 1.00 0.00 H new ATOM 0 HB2 SER A 98 14.722 -9.843 -5.680 1.00 0.00 H new ATOM 0 HB3 SER A 98 15.387 -8.457 -4.838 1.00 0.00 H new ATOM 0 HG SER A 98 17.035 -9.767 -5.809 1.00 0.00 H new ATOM 1406 N SER A 99 15.121 -10.057 -1.157 1.00 0.00 N ATOM 1407 CA SER A 99 15.709 -9.626 0.097 1.00 0.00 C ATOM 1408 C SER A 99 16.870 -10.535 0.488 1.00 0.00 C ATOM 1409 O SER A 99 18.028 -10.069 0.467 1.00 0.00 O ATOM 1410 CB SER A 99 14.627 -9.614 1.176 1.00 0.00 C ATOM 1411 OG SER A 99 13.980 -10.872 1.247 1.00 0.00 O ATOM 1412 OXT SER A 99 16.625 -11.724 0.786 1.00 0.00 O ATOM 0 H SER A 99 14.477 -10.843 -1.068 1.00 0.00 H new ATOM 0 HA SER A 99 16.110 -8.619 -0.014 1.00 0.00 H new ATOM 0 HB2 SER A 99 15.071 -9.373 2.142 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.897 -8.835 0.958 1.00 0.00 H new ATOM 0 HG SER A 99 14.643 -11.587 1.148 1.00 0.00 H new