USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 680 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 Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 162:sc= -3.02! (180deg=-3.06!) USER MOD Single : A 6 ASN : amide:sc= -1.52 K(o=-1.5,f=-2.3!) USER MOD Single : A 7 ASN : amide:sc= -0.182 K(o=-0.18,f=-2.2!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN :FLIP amide:sc= -2.77! C(o=-3.3!,f=-2.8!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.304 K(o=-0.3,f=-1.6) USER MOD Single : A 17 LYS NZ :NH3+ -122:sc= -0.167 (180deg=-1.15) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.0623 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.407 K(o=0.41,f=-2.6!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0476 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0778 USER MOD Single : A 47 TYR OH : rot 16:sc= -0.0456 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 132:sc= 1.67 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc= -0.258 USER MOD Single : A 68 ASN : amide:sc= -1.06 X(o=-1.1,f=-1.4!) USER MOD Single : A 69 ASN : amide:sc= -0.0665 X(o=-0.067,f=-0.54) USER MOD Single : A 71 SER OG : rot 64:sc= -0.953 USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 37:sc= 0.762 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 130:sc= -1.96! USER MOD Single : A 83 HIS :FLIP no HE2:sc= -0.517 F(o=-1.3,f=-0.52) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -55:sc= 0.822 USER MOD Single : A 91 ASN : amide:sc= -0.395 K(o=-0.4,f=-0.9) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -3.49! C(o=-3.5!,f=-5.3!) USER MOD Single : A 101 TYR OH : rot 180:sc= -0.835 USER MOD ----------------------------------------------------------------- ATOM 8 N ASN A 2 4.432 -0.927 -0.946 1.00 24.14 N ATOM 9 CA ASN A 2 5.380 -1.997 -1.235 1.00 23.12 C ATOM 10 C ASN A 2 6.447 -2.087 -0.148 1.00 43.00 C ATOM 11 O ASN A 2 6.443 -1.310 0.807 1.00 21.31 O ATOM 12 CB ASN A 2 6.041 -1.768 -2.596 1.00 14.32 C ATOM 13 CG ASN A 2 5.076 -1.970 -3.748 1.00 15.30 C ATOM 14 OD1 ASN A 2 4.666 -1.012 -4.405 1.00 24.32 O ATOM 15 ND2 ASN A 2 4.707 -3.221 -3.998 1.00 52.33 N ATOM 0 HA ASN A 2 4.831 -2.938 -1.259 1.00 23.12 H new ATOM 0 HB2 ASN A 2 6.443 -0.756 -2.636 1.00 14.32 H new ATOM 0 HB3 ASN A 2 6.884 -2.451 -2.707 1.00 14.32 H new ATOM 0 HD21 ASN A 2 4.059 -3.419 -4.760 1.00 52.33 H new ATOM 0 HD22 ASN A 2 5.072 -3.984 -3.428 1.00 52.33 H new ATOM 22 N VAL A 3 7.361 -3.040 -0.301 1.00 62.10 N ATOM 23 CA VAL A 3 8.436 -3.231 0.666 1.00 72.13 C ATOM 24 C VAL A 3 9.800 -3.005 0.023 1.00 13.01 C ATOM 25 O VAL A 3 10.262 -3.816 -0.780 1.00 71.15 O ATOM 26 CB VAL A 3 8.396 -4.644 1.277 1.00 64.43 C ATOM 27 CG1 VAL A 3 7.355 -4.719 2.383 1.00 25.13 C ATOM 28 CG2 VAL A 3 8.118 -5.682 0.200 1.00 35.31 C ATOM 0 H VAL A 3 7.379 -3.692 -1.085 1.00 62.10 H new ATOM 0 HA VAL A 3 8.285 -2.497 1.457 1.00 72.13 H new ATOM 0 HB VAL A 3 9.371 -4.859 1.714 1.00 64.43 H new ATOM 0 HG11 VAL A 3 7.342 -5.725 2.802 1.00 25.13 H new ATOM 0 HG12 VAL A 3 7.604 -4.003 3.166 1.00 25.13 H new ATOM 0 HG13 VAL A 3 6.372 -4.483 1.974 1.00 25.13 H new ATOM 0 HG21 VAL A 3 8.093 -6.675 0.649 1.00 35.31 H new ATOM 0 HG22 VAL A 3 7.157 -5.472 -0.269 1.00 35.31 H new ATOM 0 HG23 VAL A 3 8.905 -5.644 -0.553 1.00 35.31 H new ATOM 38 N LEU A 4 10.440 -1.898 0.382 1.00 23.02 N ATOM 39 CA LEU A 4 11.753 -1.564 -0.159 1.00 24.21 C ATOM 40 C LEU A 4 12.709 -1.143 0.953 1.00 63.14 C ATOM 41 O LEU A 4 12.290 -0.596 1.973 1.00 63.20 O ATOM 42 CB LEU A 4 11.631 -0.444 -1.193 1.00 73.13 C ATOM 43 CG LEU A 4 10.600 0.643 -0.887 1.00 33.32 C ATOM 44 CD1 LEU A 4 11.047 1.979 -1.458 1.00 40.31 C ATOM 45 CD2 LEU A 4 9.236 0.255 -1.438 1.00 74.54 C ATOM 0 H LEU A 4 10.071 -1.216 1.045 1.00 23.02 H new ATOM 0 HA LEU A 4 12.156 -2.454 -0.643 1.00 24.21 H new ATOM 0 HB2 LEU A 4 12.607 0.029 -1.303 1.00 73.13 H new ATOM 0 HB3 LEU A 4 11.383 -0.891 -2.156 1.00 73.13 H new ATOM 0 HG LEU A 4 10.517 0.743 0.195 1.00 33.32 H new ATOM 0 HD11 LEU A 4 10.301 2.740 -1.230 1.00 40.31 H new ATOM 0 HD12 LEU A 4 12.002 2.263 -1.015 1.00 40.31 H new ATOM 0 HD13 LEU A 4 11.160 1.893 -2.539 1.00 40.31 H new ATOM 0 HD21 LEU A 4 8.515 1.040 -1.211 1.00 74.54 H new ATOM 0 HD22 LEU A 4 9.303 0.126 -2.518 1.00 74.54 H new ATOM 0 HD23 LEU A 4 8.911 -0.679 -0.980 1.00 74.54 H new ATOM 57 N LYS A 5 13.997 -1.400 0.747 1.00 12.42 N ATOM 58 CA LYS A 5 15.014 -1.045 1.729 1.00 3.53 C ATOM 59 C LYS A 5 16.412 -1.154 1.129 1.00 41.05 C ATOM 60 O LYS A 5 17.301 -0.369 1.455 1.00 40.33 O ATOM 61 CB LYS A 5 14.904 -1.949 2.959 1.00 73.34 C ATOM 62 CG LYS A 5 15.954 -1.666 4.019 1.00 54.11 C ATOM 63 CD LYS A 5 15.473 -0.623 5.015 1.00 63.53 C ATOM 64 CE LYS A 5 16.083 -0.844 6.391 1.00 60.35 C ATOM 65 NZ LYS A 5 16.228 0.432 7.144 1.00 33.34 N ATOM 0 H LYS A 5 14.361 -1.853 -0.092 1.00 12.42 H new ATOM 0 HA LYS A 5 14.846 -0.011 2.030 1.00 3.53 H new ATOM 0 HB2 LYS A 5 13.914 -1.830 3.399 1.00 73.34 H new ATOM 0 HB3 LYS A 5 14.989 -2.989 2.644 1.00 73.34 H new ATOM 0 HG2 LYS A 5 16.198 -2.588 4.546 1.00 54.11 H new ATOM 0 HG3 LYS A 5 16.870 -1.319 3.541 1.00 54.11 H new ATOM 0 HD2 LYS A 5 15.734 0.372 4.656 1.00 63.53 H new ATOM 0 HD3 LYS A 5 14.386 -0.661 5.087 1.00 63.53 H new ATOM 0 HE2 LYS A 5 15.457 -1.532 6.959 1.00 60.35 H new ATOM 0 HE3 LYS A 5 17.060 -1.316 6.284 1.00 60.35 H new ATOM 0 HZ1 LYS A 5 16.351 0.226 8.156 1.00 33.34 H new ATOM 0 HZ2 LYS A 5 17.059 0.950 6.793 1.00 33.34 H new ATOM 0 HZ3 LYS A 5 15.376 1.013 7.010 1.00 33.34 H new ATOM 79 N ASN A 6 16.598 -2.132 0.248 1.00 31.33 N ATOM 80 CA ASN A 6 17.888 -2.343 -0.399 1.00 32.42 C ATOM 81 C ASN A 6 17.884 -1.780 -1.817 1.00 33.23 C ATOM 82 O ASN A 6 16.831 -1.648 -2.440 1.00 2.14 O ATOM 83 CB ASN A 6 18.227 -3.835 -0.431 1.00 45.14 C ATOM 84 CG ASN A 6 18.641 -4.304 -1.813 1.00 42.40 C ATOM 85 OD1 ASN A 6 17.814 -4.408 -2.719 1.00 31.54 O ATOM 86 ND2 ASN A 6 19.927 -4.588 -1.980 1.00 64.35 N ATOM 0 H ASN A 6 15.872 -2.791 -0.034 1.00 31.33 H new ATOM 0 HA ASN A 6 18.647 -1.817 0.179 1.00 32.42 H new ATOM 0 HB2 ASN A 6 19.033 -4.037 0.275 1.00 45.14 H new ATOM 0 HB3 ASN A 6 17.362 -4.409 -0.100 1.00 45.14 H new ATOM 0 HD21 ASN A 6 20.265 -4.907 -2.888 1.00 64.35 H new ATOM 0 HD22 ASN A 6 20.577 -4.487 -1.200 1.00 64.35 H new ATOM 93 N ASN A 7 19.069 -1.451 -2.320 1.00 52.02 N ATOM 94 CA ASN A 7 19.202 -0.902 -3.665 1.00 22.13 C ATOM 95 C ASN A 7 18.961 0.604 -3.664 1.00 13.42 C ATOM 96 O ASN A 7 19.882 1.393 -3.877 1.00 63.14 O ATOM 97 CB ASN A 7 18.220 -1.587 -4.617 1.00 40.34 C ATOM 98 CG ASN A 7 18.732 -1.628 -6.044 1.00 51.33 C ATOM 99 OD1 ASN A 7 19.928 -1.473 -6.291 1.00 61.21 O ATOM 100 ND2 ASN A 7 17.825 -1.836 -6.992 1.00 65.31 N ATOM 0 H ASN A 7 19.950 -1.555 -1.817 1.00 52.02 H new ATOM 0 HA ASN A 7 20.220 -1.088 -4.008 1.00 22.13 H new ATOM 0 HB2 ASN A 7 18.033 -2.604 -4.272 1.00 40.34 H new ATOM 0 HB3 ASN A 7 17.266 -1.061 -4.591 1.00 40.34 H new ATOM 0 HD21 ASN A 7 18.110 -1.872 -7.971 1.00 65.31 H new ATOM 0 HD22 ASN A 7 16.844 -1.959 -6.741 1.00 65.31 H new ATOM 107 N THR A 8 17.714 0.998 -3.421 1.00 43.42 N ATOM 108 CA THR A 8 17.351 2.409 -3.393 1.00 13.34 C ATOM 109 C THR A 8 16.718 2.787 -2.058 1.00 53.13 C ATOM 110 O THR A 8 15.698 2.232 -1.648 1.00 50.23 O ATOM 111 CB THR A 8 16.373 2.760 -4.530 1.00 15.54 C ATOM 112 OG1 THR A 8 16.889 2.295 -5.781 1.00 41.14 O ATOM 113 CG2 THR A 8 16.139 4.262 -4.598 1.00 43.23 C ATOM 0 H THR A 8 16.939 0.359 -3.241 1.00 43.42 H new ATOM 0 HA THR A 8 18.272 2.976 -3.529 1.00 13.34 H new ATOM 0 HB THR A 8 15.421 2.269 -4.326 1.00 15.54 H new ATOM 0 HG1 THR A 8 16.260 2.521 -6.498 1.00 41.14 H new ATOM 0 HG21 THR A 8 15.445 4.486 -5.408 1.00 43.23 H new ATOM 0 HG22 THR A 8 15.718 4.608 -3.654 1.00 43.23 H new ATOM 0 HG23 THR A 8 17.086 4.770 -4.781 1.00 43.23 H new ATOM 121 N PRO A 9 17.334 3.754 -1.363 1.00 10.41 N ATOM 122 CA PRO A 9 16.847 4.229 -0.064 1.00 73.22 C ATOM 123 C PRO A 9 15.543 5.011 -0.185 1.00 21.44 C ATOM 124 O PRO A 9 15.256 5.602 -1.225 1.00 71.05 O ATOM 125 CB PRO A 9 17.974 5.141 0.426 1.00 40.12 C ATOM 126 CG PRO A 9 18.657 5.600 -0.816 1.00 51.01 C ATOM 127 CD PRO A 9 18.554 4.460 -1.791 1.00 74.20 C ATOM 0 HA PRO A 9 16.623 3.405 0.613 1.00 73.22 H new ATOM 0 HB2 PRO A 9 17.582 5.983 0.997 1.00 40.12 H new ATOM 0 HB3 PRO A 9 18.661 4.605 1.081 1.00 40.12 H new ATOM 0 HG2 PRO A 9 18.183 6.497 -1.213 1.00 51.01 H new ATOM 0 HG3 PRO A 9 19.699 5.851 -0.618 1.00 51.01 H new ATOM 0 HD2 PRO A 9 18.473 4.816 -2.818 1.00 74.20 H new ATOM 0 HD3 PRO A 9 19.430 3.812 -1.746 1.00 74.20 H new ATOM 135 N VAL A 10 14.757 5.010 0.887 1.00 33.22 N ATOM 136 CA VAL A 10 13.484 5.721 0.902 1.00 72.40 C ATOM 137 C VAL A 10 13.692 7.217 1.107 1.00 21.24 C ATOM 138 O VAL A 10 14.160 7.650 2.160 1.00 0.03 O ATOM 139 CB VAL A 10 12.555 5.186 2.009 1.00 43.05 C ATOM 140 CG1 VAL A 10 11.164 5.786 1.874 1.00 30.14 C ATOM 141 CG2 VAL A 10 12.496 3.667 1.966 1.00 62.41 C ATOM 0 H VAL A 10 14.979 4.525 1.756 1.00 33.22 H new ATOM 0 HA VAL A 10 13.016 5.552 -0.068 1.00 72.40 H new ATOM 0 HB VAL A 10 12.961 5.484 2.976 1.00 43.05 H new ATOM 0 HG11 VAL A 10 10.522 5.397 2.664 1.00 30.14 H new ATOM 0 HG12 VAL A 10 11.226 6.871 1.958 1.00 30.14 H new ATOM 0 HG13 VAL A 10 10.746 5.521 0.903 1.00 30.14 H new ATOM 0 HG21 VAL A 10 11.836 3.306 2.754 1.00 62.41 H new ATOM 0 HG22 VAL A 10 12.114 3.345 0.997 1.00 62.41 H new ATOM 0 HG23 VAL A 10 13.496 3.260 2.116 1.00 62.41 H new ATOM 151 N SER A 11 13.341 8.002 0.094 1.00 1.21 N ATOM 152 CA SER A 11 13.493 9.451 0.162 1.00 74.12 C ATOM 153 C SER A 11 12.281 10.093 0.830 1.00 13.20 C ATOM 154 O SER A 11 11.212 9.490 0.913 1.00 53.02 O ATOM 155 CB SER A 11 13.683 10.031 -1.241 1.00 11.11 C ATOM 156 OG SER A 11 14.758 9.398 -1.913 1.00 73.12 O ATOM 0 H SER A 11 12.950 7.660 -0.783 1.00 1.21 H new ATOM 0 HA SER A 11 14.376 9.672 0.762 1.00 74.12 H new ATOM 0 HB2 SER A 11 12.766 9.906 -1.817 1.00 11.11 H new ATOM 0 HB3 SER A 11 13.873 11.102 -1.173 1.00 11.11 H new ATOM 0 HG SER A 11 14.858 9.785 -2.808 1.00 73.12 H new ATOM 162 N ASN A 12 12.457 11.322 1.306 1.00 71.35 N ATOM 163 CA ASN A 12 11.379 12.047 1.967 1.00 14.14 C ATOM 164 C ASN A 12 10.572 11.118 2.870 1.00 41.31 C ATOM 165 O ASN A 12 9.376 10.913 2.658 1.00 0.54 O ATOM 166 CB ASN A 12 10.459 12.694 0.930 1.00 73.42 C ATOM 167 CG ASN A 12 9.918 11.689 -0.069 1.00 72.02 C ATOM 168 OD1 ASN A 12 10.643 11.495 -1.164 1.00 64.22 O flip ATOM 169 ND2 ASN A 12 8.860 11.095 0.142 1.00 62.53 N flip ATOM 0 H ASN A 12 13.336 11.836 1.246 1.00 71.35 H new ATOM 0 HA ASN A 12 11.825 12.827 2.584 1.00 14.14 H new ATOM 0 HB2 ASN A 12 9.627 13.180 1.439 1.00 73.42 H new ATOM 0 HB3 ASN A 12 11.006 13.473 0.398 1.00 73.42 H new ATOM 0 HD21 ASN A 12 8.336 11.276 0.998 1.00 62.53 H new ATOM 0 HD22 ASN A 12 8.508 10.422 -0.539 1.00 62.53 H new ATOM 176 N LEU A 13 11.234 10.559 3.877 1.00 41.31 N ATOM 177 CA LEU A 13 10.579 9.652 4.813 1.00 3.32 C ATOM 178 C LEU A 13 9.429 10.350 5.533 1.00 63.42 C ATOM 179 O LEU A 13 9.031 11.455 5.165 1.00 54.15 O ATOM 180 CB LEU A 13 11.589 9.125 5.834 1.00 64.33 C ATOM 181 CG LEU A 13 11.512 7.629 6.143 1.00 0.33 C ATOM 182 CD1 LEU A 13 12.142 6.819 5.022 1.00 63.45 C ATOM 183 CD2 LEU A 13 12.190 7.324 7.471 1.00 63.32 C ATOM 0 H LEU A 13 12.224 10.718 4.066 1.00 41.31 H new ATOM 0 HA LEU A 13 10.174 8.814 4.246 1.00 3.32 H new ATOM 0 HB2 LEU A 13 12.592 9.350 5.472 1.00 64.33 H new ATOM 0 HB3 LEU A 13 11.455 9.675 6.765 1.00 64.33 H new ATOM 0 HG LEU A 13 10.462 7.347 6.220 1.00 0.33 H new ATOM 0 HD11 LEU A 13 12.078 5.757 5.260 1.00 63.45 H new ATOM 0 HD12 LEU A 13 11.612 7.015 4.090 1.00 63.45 H new ATOM 0 HD13 LEU A 13 13.188 7.103 4.911 1.00 63.45 H new ATOM 0 HD21 LEU A 13 12.126 6.255 7.675 1.00 63.32 H new ATOM 0 HD22 LEU A 13 13.237 7.622 7.422 1.00 63.32 H new ATOM 0 HD23 LEU A 13 11.693 7.876 8.269 1.00 63.32 H new ATOM 195 N THR A 14 8.900 9.697 6.563 1.00 1.12 N ATOM 196 CA THR A 14 7.797 10.254 7.336 1.00 51.25 C ATOM 197 C THR A 14 7.891 9.846 8.801 1.00 13.33 C ATOM 198 O THR A 14 8.222 8.705 9.118 1.00 20.31 O ATOM 199 CB THR A 14 6.435 9.803 6.775 1.00 12.22 C ATOM 200 OG1 THR A 14 6.476 8.409 6.451 1.00 13.10 O ATOM 201 CG2 THR A 14 6.066 10.606 5.537 1.00 43.41 C ATOM 0 H THR A 14 9.218 8.782 6.881 1.00 1.12 H new ATOM 0 HA THR A 14 7.873 11.339 7.259 1.00 51.25 H new ATOM 0 HB THR A 14 5.677 9.976 7.539 1.00 12.22 H new ATOM 0 HG1 THR A 14 5.606 8.130 6.097 1.00 13.10 H new ATOM 0 HG21 THR A 14 5.101 10.269 5.159 1.00 43.41 H new ATOM 0 HG22 THR A 14 6.006 11.664 5.794 1.00 43.41 H new ATOM 0 HG23 THR A 14 6.826 10.461 4.769 1.00 43.41 H new ATOM 209 N GLY A 15 7.596 10.788 9.693 1.00 30.40 N ATOM 210 CA GLY A 15 7.653 10.506 11.115 1.00 33.25 C ATOM 211 C GLY A 15 6.526 11.168 11.883 1.00 11.12 C ATOM 212 O GLY A 15 6.767 11.937 12.812 1.00 4.24 O ATOM 0 H GLY A 15 7.319 11.740 9.456 1.00 30.40 H new ATOM 0 HA2 GLY A 15 7.610 9.428 11.270 1.00 33.25 H new ATOM 0 HA3 GLY A 15 8.609 10.848 11.512 1.00 33.25 H new ATOM 216 N ASN A 16 5.291 10.870 11.493 1.00 51.12 N ATOM 217 CA ASN A 16 4.122 11.444 12.150 1.00 42.32 C ATOM 218 C ASN A 16 3.869 10.772 13.496 1.00 63.45 C ATOM 219 O ASN A 16 4.231 9.613 13.701 1.00 62.20 O ATOM 220 CB ASN A 16 2.888 11.303 11.256 1.00 22.03 C ATOM 221 CG ASN A 16 2.822 12.377 10.188 1.00 52.21 C ATOM 222 OD1 ASN A 16 3.842 12.766 9.619 1.00 72.14 O ATOM 223 ND2 ASN A 16 1.617 12.862 9.911 1.00 1.52 N ATOM 0 H ASN A 16 5.074 10.234 10.725 1.00 51.12 H new ATOM 0 HA ASN A 16 4.317 12.502 12.324 1.00 42.32 H new ATOM 0 HB2 ASN A 16 2.897 10.322 10.781 1.00 22.03 H new ATOM 0 HB3 ASN A 16 1.990 11.351 11.871 1.00 22.03 H new ATOM 0 HD21 ASN A 16 1.510 13.587 9.201 1.00 1.52 H new ATOM 0 HD22 ASN A 16 0.799 12.510 10.408 1.00 1.52 H new ATOM 230 N LYS A 17 3.245 11.506 14.410 1.00 52.12 N ATOM 231 CA LYS A 17 2.941 10.982 15.736 1.00 73.31 C ATOM 232 C LYS A 17 2.182 9.662 15.638 1.00 14.33 C ATOM 233 O LYS A 17 2.464 8.717 16.373 1.00 32.21 O ATOM 234 CB LYS A 17 2.119 11.998 16.532 1.00 34.43 C ATOM 235 CG LYS A 17 2.861 13.292 16.816 1.00 54.34 C ATOM 236 CD LYS A 17 2.347 14.430 15.950 1.00 54.40 C ATOM 237 CE LYS A 17 2.261 15.731 16.733 1.00 12.42 C ATOM 238 NZ LYS A 17 3.566 16.093 17.352 1.00 0.41 N ATOM 0 H LYS A 17 2.939 12.467 14.257 1.00 52.12 H new ATOM 0 HA LYS A 17 3.883 10.801 16.253 1.00 73.31 H new ATOM 0 HB2 LYS A 17 1.206 12.226 15.981 1.00 34.43 H new ATOM 0 HB3 LYS A 17 1.817 11.547 17.477 1.00 34.43 H new ATOM 0 HG2 LYS A 17 2.748 13.554 17.868 1.00 54.34 H new ATOM 0 HG3 LYS A 17 3.926 13.149 16.636 1.00 54.34 H new ATOM 0 HD2 LYS A 17 3.007 14.563 15.093 1.00 54.40 H new ATOM 0 HD3 LYS A 17 1.363 14.174 15.558 1.00 54.40 H new ATOM 0 HE2 LYS A 17 1.939 16.534 16.070 1.00 12.42 H new ATOM 0 HE3 LYS A 17 1.504 15.637 17.511 1.00 12.42 H new ATOM 0 HZ1 LYS A 17 3.449 16.180 18.382 1.00 0.41 H new ATOM 0 HZ2 LYS A 17 4.266 15.352 17.144 1.00 0.41 H new ATOM 0 HZ3 LYS A 17 3.895 17.000 16.963 1.00 0.41 H new ATOM 252 N GLY A 18 1.217 9.605 14.725 1.00 42.44 N ATOM 253 CA GLY A 18 0.434 8.397 14.547 1.00 32.22 C ATOM 254 C GLY A 18 0.826 7.630 13.300 1.00 31.40 C ATOM 255 O GLY A 18 1.040 6.418 13.350 1.00 42.52 O ATOM 0 H GLY A 18 0.964 10.375 14.105 1.00 42.44 H new ATOM 0 HA2 GLY A 18 0.559 7.755 15.419 1.00 32.22 H new ATOM 0 HA3 GLY A 18 -0.623 8.658 14.492 1.00 32.22 H new ATOM 259 N SER A 19 0.919 8.335 12.178 1.00 54.45 N ATOM 260 CA SER A 19 1.282 7.712 10.910 1.00 21.04 C ATOM 261 C SER A 19 2.702 7.157 10.966 1.00 42.04 C ATOM 262 O SER A 19 3.623 7.826 11.433 1.00 41.34 O ATOM 263 CB SER A 19 1.161 8.722 9.768 1.00 62.03 C ATOM 264 OG SER A 19 0.058 8.417 8.932 1.00 12.33 O ATOM 0 H SER A 19 0.748 9.339 12.120 1.00 54.45 H new ATOM 0 HA SER A 19 0.594 6.886 10.728 1.00 21.04 H new ATOM 0 HB2 SER A 19 1.045 9.726 10.177 1.00 62.03 H new ATOM 0 HB3 SER A 19 2.078 8.722 9.179 1.00 62.03 H new ATOM 0 HG SER A 19 0.001 9.078 8.211 1.00 12.33 H new ATOM 270 N GLU A 20 2.870 5.929 10.485 1.00 20.13 N ATOM 271 CA GLU A 20 4.177 5.283 10.481 1.00 45.23 C ATOM 272 C GLU A 20 4.449 4.614 9.136 1.00 3.33 C ATOM 273 O GLU A 20 3.571 4.545 8.276 1.00 64.10 O ATOM 274 CB GLU A 20 4.264 4.248 11.604 1.00 13.34 C ATOM 275 CG GLU A 20 3.558 4.675 12.880 1.00 33.14 C ATOM 276 CD GLU A 20 4.124 5.957 13.460 1.00 72.23 C ATOM 277 OE1 GLU A 20 5.169 6.423 12.959 1.00 74.24 O ATOM 278 OE2 GLU A 20 3.523 6.494 14.414 1.00 70.44 O ATOM 0 H GLU A 20 2.118 5.362 10.093 1.00 20.13 H new ATOM 0 HA GLU A 20 4.933 6.051 10.646 1.00 45.23 H new ATOM 0 HB2 GLU A 20 3.832 3.310 11.256 1.00 13.34 H new ATOM 0 HB3 GLU A 20 5.313 4.053 11.827 1.00 13.34 H new ATOM 0 HG2 GLU A 20 2.496 4.811 12.675 1.00 33.14 H new ATOM 0 HG3 GLU A 20 3.640 3.879 13.620 1.00 33.14 H new ATOM 285 N VAL A 21 5.672 4.124 8.963 1.00 64.53 N ATOM 286 CA VAL A 21 6.061 3.460 7.724 1.00 20.42 C ATOM 287 C VAL A 21 6.901 2.219 8.006 1.00 70.11 C ATOM 288 O VAL A 21 7.765 2.227 8.883 1.00 34.34 O ATOM 289 CB VAL A 21 6.856 4.406 6.805 1.00 12.54 C ATOM 290 CG1 VAL A 21 6.021 4.805 5.598 1.00 33.30 C ATOM 291 CG2 VAL A 21 7.314 5.635 7.576 1.00 41.42 C ATOM 0 H VAL A 21 6.411 4.174 9.665 1.00 64.53 H new ATOM 0 HA VAL A 21 5.140 3.166 7.220 1.00 20.42 H new ATOM 0 HB VAL A 21 7.740 3.879 6.446 1.00 12.54 H new ATOM 0 HG11 VAL A 21 6.599 5.473 4.960 1.00 33.30 H new ATOM 0 HG12 VAL A 21 5.747 3.913 5.035 1.00 33.30 H new ATOM 0 HG13 VAL A 21 5.118 5.315 5.933 1.00 33.30 H new ATOM 0 HG21 VAL A 21 7.874 6.293 6.912 1.00 41.42 H new ATOM 0 HG22 VAL A 21 6.445 6.166 7.964 1.00 41.42 H new ATOM 0 HG23 VAL A 21 7.952 5.328 8.405 1.00 41.42 H new ATOM 301 N PHE A 22 6.642 1.153 7.255 1.00 4.23 N ATOM 302 CA PHE A 22 7.374 -0.097 7.424 1.00 4.33 C ATOM 303 C PHE A 22 7.750 -0.694 6.071 1.00 34.33 C ATOM 304 O PHE A 22 7.056 -0.488 5.075 1.00 12.13 O ATOM 305 CB PHE A 22 6.538 -1.098 8.223 1.00 73.53 C ATOM 306 CG PHE A 22 5.130 -1.240 7.719 1.00 70.15 C ATOM 307 CD1 PHE A 22 4.119 -0.429 8.209 1.00 24.14 C ATOM 308 CD2 PHE A 22 4.817 -2.184 6.754 1.00 43.25 C ATOM 309 CE1 PHE A 22 2.823 -0.558 7.748 1.00 62.03 C ATOM 310 CE2 PHE A 22 3.523 -2.317 6.288 1.00 73.14 C ATOM 311 CZ PHE A 22 2.525 -1.502 6.785 1.00 74.22 C ATOM 0 H PHE A 22 5.931 1.130 6.524 1.00 4.23 H new ATOM 0 HA PHE A 22 8.291 0.119 7.973 1.00 4.33 H new ATOM 0 HB2 PHE A 22 7.026 -2.072 8.193 1.00 73.53 H new ATOM 0 HB3 PHE A 22 6.512 -0.786 9.267 1.00 73.53 H new ATOM 0 HD1 PHE A 22 4.347 0.313 8.960 1.00 24.14 H new ATOM 0 HD2 PHE A 22 5.594 -2.823 6.361 1.00 43.25 H new ATOM 0 HE1 PHE A 22 2.044 0.079 8.140 1.00 62.03 H new ATOM 0 HE2 PHE A 22 3.292 -3.057 5.536 1.00 73.14 H new ATOM 0 HZ PHE A 22 1.513 -1.603 6.421 1.00 74.22 H new ATOM 321 N TYR A 23 8.852 -1.435 6.044 1.00 72.10 N ATOM 322 CA TYR A 23 9.322 -2.061 4.814 1.00 51.43 C ATOM 323 C TYR A 23 9.963 -3.415 5.102 1.00 51.25 C ATOM 324 O TYR A 23 10.268 -3.740 6.249 1.00 22.14 O ATOM 325 CB TYR A 23 10.325 -1.149 4.105 1.00 62.44 C ATOM 326 CG TYR A 23 9.933 0.311 4.119 1.00 34.32 C ATOM 327 CD1 TYR A 23 8.950 0.795 3.265 1.00 61.04 C ATOM 328 CD2 TYR A 23 10.544 1.206 4.989 1.00 72.23 C ATOM 329 CE1 TYR A 23 8.589 2.128 3.274 1.00 10.31 C ATOM 330 CE2 TYR A 23 10.188 2.541 5.006 1.00 30.41 C ATOM 331 CZ TYR A 23 9.211 2.997 4.147 1.00 55.03 C ATOM 332 OH TYR A 23 8.853 4.326 4.160 1.00 34.32 O ATOM 0 H TYR A 23 9.437 -1.617 6.860 1.00 72.10 H new ATOM 0 HA TYR A 23 8.461 -2.219 4.164 1.00 51.43 H new ATOM 0 HB2 TYR A 23 11.301 -1.259 4.579 1.00 62.44 H new ATOM 0 HB3 TYR A 23 10.434 -1.477 3.071 1.00 62.44 H new ATOM 0 HD1 TYR A 23 8.460 0.117 2.582 1.00 61.04 H new ATOM 0 HD2 TYR A 23 11.310 0.852 5.663 1.00 72.23 H new ATOM 0 HE1 TYR A 23 7.824 2.488 2.602 1.00 10.31 H new ATOM 0 HE2 TYR A 23 10.673 3.223 5.689 1.00 30.41 H new ATOM 0 HH TYR A 23 9.384 4.801 4.832 1.00 34.32 H new ATOM 342 N THR A 24 10.165 -4.202 4.049 1.00 22.14 N ATOM 343 CA THR A 24 10.769 -5.521 4.187 1.00 61.41 C ATOM 344 C THR A 24 11.711 -5.819 3.026 1.00 41.41 C ATOM 345 O THR A 24 11.404 -5.520 1.872 1.00 54.23 O ATOM 346 CB THR A 24 9.697 -6.625 4.259 1.00 61.21 C ATOM 347 OG1 THR A 24 8.660 -6.243 5.169 1.00 2.53 O ATOM 348 CG2 THR A 24 10.308 -7.945 4.704 1.00 24.03 C ATOM 0 H THR A 24 9.919 -3.948 3.092 1.00 22.14 H new ATOM 0 HA THR A 24 11.335 -5.513 5.118 1.00 61.41 H new ATOM 0 HB THR A 24 9.275 -6.756 3.262 1.00 61.21 H new ATOM 0 HG1 THR A 24 7.982 -6.950 5.208 1.00 2.53 H new ATOM 0 HG21 THR A 24 9.532 -8.709 4.747 1.00 24.03 H new ATOM 0 HG22 THR A 24 11.076 -8.248 3.993 1.00 24.03 H new ATOM 0 HG23 THR A 24 10.754 -7.825 5.691 1.00 24.03 H new ATOM 356 N PHE A 25 12.860 -6.409 3.338 1.00 32.23 N ATOM 357 CA PHE A 25 13.848 -6.747 2.320 1.00 15.20 C ATOM 358 C PHE A 25 14.818 -7.806 2.834 1.00 60.32 C ATOM 359 O PHE A 25 14.984 -7.980 4.042 1.00 72.43 O ATOM 360 CB PHE A 25 14.619 -5.496 1.893 1.00 21.32 C ATOM 361 CG PHE A 25 14.670 -5.302 0.405 1.00 73.23 C ATOM 362 CD1 PHE A 25 15.507 -6.079 -0.380 1.00 53.24 C ATOM 363 CD2 PHE A 25 13.880 -4.344 -0.210 1.00 1.44 C ATOM 364 CE1 PHE A 25 15.556 -5.902 -1.750 1.00 53.52 C ATOM 365 CE2 PHE A 25 13.925 -4.162 -1.579 1.00 74.11 C ATOM 366 CZ PHE A 25 14.763 -4.943 -2.350 1.00 52.14 C ATOM 0 H PHE A 25 13.130 -6.663 4.288 1.00 32.23 H new ATOM 0 HA PHE A 25 13.320 -7.152 1.457 1.00 15.20 H new ATOM 0 HB2 PHE A 25 14.157 -4.621 2.350 1.00 21.32 H new ATOM 0 HB3 PHE A 25 15.637 -5.557 2.278 1.00 21.32 H new ATOM 0 HD1 PHE A 25 16.128 -6.831 0.084 1.00 53.24 H new ATOM 0 HD2 PHE A 25 13.221 -3.732 0.388 1.00 1.44 H new ATOM 0 HE1 PHE A 25 16.214 -6.513 -2.351 1.00 53.52 H new ATOM 0 HE2 PHE A 25 13.306 -3.410 -2.045 1.00 74.11 H new ATOM 0 HZ PHE A 25 14.798 -4.804 -3.420 1.00 52.14 H new ATOM 376 N THR A 26 15.458 -8.513 1.907 1.00 32.44 N ATOM 377 CA THR A 26 16.410 -9.557 2.265 1.00 43.11 C ATOM 378 C THR A 26 17.740 -9.357 1.546 1.00 32.44 C ATOM 379 O THR A 26 17.857 -8.510 0.661 1.00 64.43 O ATOM 380 CB THR A 26 15.863 -10.957 1.928 1.00 13.30 C ATOM 381 OG1 THR A 26 15.842 -11.146 0.509 1.00 73.02 O ATOM 382 CG2 THR A 26 14.461 -11.139 2.490 1.00 71.11 C ATOM 0 H THR A 26 15.334 -8.381 0.903 1.00 32.44 H new ATOM 0 HA THR A 26 16.567 -9.486 3.341 1.00 43.11 H new ATOM 0 HB THR A 26 16.519 -11.699 2.383 1.00 13.30 H new ATOM 0 HG1 THR A 26 15.495 -12.039 0.303 1.00 73.02 H new ATOM 0 HG21 THR A 26 14.095 -12.135 2.240 1.00 71.11 H new ATOM 0 HG22 THR A 26 14.485 -11.023 3.574 1.00 71.11 H new ATOM 0 HG23 THR A 26 13.796 -10.390 2.060 1.00 71.11 H new ATOM 390 N VAL A 27 18.740 -10.143 1.933 1.00 71.21 N ATOM 391 CA VAL A 27 20.062 -10.054 1.324 1.00 54.11 C ATOM 392 C VAL A 27 20.333 -11.252 0.421 1.00 31.12 C ATOM 393 O VAL A 27 19.859 -12.358 0.681 1.00 21.24 O ATOM 394 CB VAL A 27 21.168 -9.969 2.393 1.00 75.44 C ATOM 395 CG1 VAL A 27 20.989 -8.725 3.249 1.00 72.00 C ATOM 396 CG2 VAL A 27 21.172 -11.223 3.254 1.00 23.20 C ATOM 0 H VAL A 27 18.660 -10.848 2.665 1.00 71.21 H new ATOM 0 HA VAL A 27 20.075 -9.143 0.726 1.00 54.11 H new ATOM 0 HB VAL A 27 22.132 -9.898 1.890 1.00 75.44 H new ATOM 0 HG11 VAL A 27 21.779 -8.682 3.998 1.00 72.00 H new ATOM 0 HG12 VAL A 27 21.040 -7.838 2.617 1.00 72.00 H new ATOM 0 HG13 VAL A 27 20.020 -8.762 3.746 1.00 72.00 H new ATOM 0 HG21 VAL A 27 21.959 -11.147 4.004 1.00 23.20 H new ATOM 0 HG22 VAL A 27 20.207 -11.327 3.750 1.00 23.20 H new ATOM 0 HG23 VAL A 27 21.353 -12.095 2.626 1.00 23.20 H new ATOM 406 N ASP A 28 21.098 -11.025 -0.640 1.00 45.43 N ATOM 407 CA ASP A 28 21.435 -12.086 -1.582 1.00 30.10 C ATOM 408 C ASP A 28 22.733 -12.779 -1.179 1.00 41.30 C ATOM 409 O ASP A 28 22.797 -14.006 -1.109 1.00 24.12 O ATOM 410 CB ASP A 28 21.562 -11.520 -2.997 1.00 63.22 C ATOM 411 CG ASP A 28 22.295 -12.461 -3.933 1.00 73.33 C ATOM 412 OD1 ASP A 28 21.633 -13.333 -4.534 1.00 23.50 O ATOM 413 OD2 ASP A 28 23.529 -12.326 -4.065 1.00 24.24 O ATOM 0 H ASP A 28 21.497 -10.115 -0.870 1.00 45.43 H new ATOM 0 HA ASP A 28 20.631 -12.822 -1.565 1.00 30.10 H new ATOM 0 HB2 ASP A 28 20.568 -11.318 -3.395 1.00 63.22 H new ATOM 0 HB3 ASP A 28 22.090 -10.567 -2.958 1.00 63.22 H new ATOM 418 N ARG A 29 23.765 -11.984 -0.916 1.00 42.44 N ATOM 419 CA ARG A 29 25.062 -12.520 -0.523 1.00 23.31 C ATOM 420 C ARG A 29 25.524 -11.912 0.798 1.00 44.21 C ATOM 421 O ARG A 29 25.031 -10.866 1.217 1.00 51.21 O ATOM 422 CB ARG A 29 26.102 -12.250 -1.612 1.00 73.15 C ATOM 423 CG ARG A 29 26.753 -10.881 -1.507 1.00 11.11 C ATOM 424 CD ARG A 29 25.723 -9.766 -1.598 1.00 1.33 C ATOM 425 NE ARG A 29 26.268 -8.568 -2.230 1.00 41.54 N ATOM 426 CZ ARG A 29 25.519 -7.558 -2.661 1.00 62.40 C ATOM 427 NH1 ARG A 29 24.201 -7.603 -2.527 1.00 51.32 N ATOM 428 NH2 ARG A 29 26.089 -6.502 -3.226 1.00 50.14 N ATOM 0 H ARG A 29 23.728 -10.966 -0.968 1.00 42.44 H new ATOM 0 HA ARG A 29 24.956 -13.597 -0.391 1.00 23.31 H new ATOM 0 HB2 ARG A 29 26.876 -13.016 -1.561 1.00 73.15 H new ATOM 0 HB3 ARG A 29 25.626 -12.343 -2.588 1.00 73.15 H new ATOM 0 HG2 ARG A 29 27.291 -10.804 -0.562 1.00 11.11 H new ATOM 0 HG3 ARG A 29 27.488 -10.764 -2.303 1.00 11.11 H new ATOM 0 HD2 ARG A 29 24.860 -10.115 -2.166 1.00 1.33 H new ATOM 0 HD3 ARG A 29 25.367 -9.518 -0.598 1.00 1.33 H new ATOM 0 HE ARG A 29 27.279 -8.502 -2.347 1.00 41.54 H new ATOM 0 HH11 ARG A 29 23.760 -8.414 -2.093 1.00 51.32 H new ATOM 0 HH12 ARG A 29 23.628 -6.827 -2.858 1.00 51.32 H new ATOM 0 HH21 ARG A 29 27.103 -6.464 -3.330 1.00 50.14 H new ATOM 0 HH22 ARG A 29 25.513 -5.728 -3.556 1.00 50.14 H new ATOM 442 N ASN A 30 26.474 -12.575 1.449 1.00 64.41 N ATOM 443 CA ASN A 30 27.002 -12.101 2.723 1.00 44.42 C ATOM 444 C ASN A 30 28.047 -11.010 2.506 1.00 22.11 C ATOM 445 O ASN A 30 29.117 -11.262 1.952 1.00 31.55 O ATOM 446 CB ASN A 30 27.616 -13.261 3.509 1.00 73.22 C ATOM 447 CG ASN A 30 28.555 -14.100 2.663 1.00 13.33 C ATOM 448 OD1 ASN A 30 28.121 -14.826 1.769 1.00 61.02 O ATOM 449 ND2 ASN A 30 29.849 -14.003 2.944 1.00 41.21 N ATOM 0 H ASN A 30 26.894 -13.442 1.115 1.00 64.41 H new ATOM 0 HA ASN A 30 26.176 -11.680 3.296 1.00 44.42 H new ATOM 0 HB2 ASN A 30 28.159 -12.867 4.368 1.00 73.22 H new ATOM 0 HB3 ASN A 30 26.819 -13.894 3.899 1.00 73.22 H new ATOM 0 HD21 ASN A 30 30.529 -14.544 2.409 1.00 41.21 H new ATOM 0 HD22 ASN A 30 30.163 -13.388 3.694 1.00 41.21 H new ATOM 456 N ALA A 31 27.729 -9.797 2.947 1.00 21.41 N ATOM 457 CA ALA A 31 28.641 -8.669 2.804 1.00 33.10 C ATOM 458 C ALA A 31 28.558 -7.740 4.011 1.00 64.53 C ATOM 459 O ALA A 31 27.473 -7.466 4.524 1.00 50.55 O ATOM 460 CB ALA A 31 28.336 -7.904 1.525 1.00 44.42 C ATOM 0 H ALA A 31 26.847 -9.571 3.406 1.00 21.41 H new ATOM 0 HA ALA A 31 29.657 -9.059 2.748 1.00 33.10 H new ATOM 0 HB1 ALA A 31 29.024 -7.064 1.430 1.00 44.42 H new ATOM 0 HB2 ALA A 31 28.453 -8.567 0.668 1.00 44.42 H new ATOM 0 HB3 ALA A 31 27.312 -7.532 1.559 1.00 44.42 H new ATOM 466 N THR A 32 29.713 -7.259 4.461 1.00 30.45 N ATOM 467 CA THR A 32 29.772 -6.363 5.609 1.00 34.22 C ATOM 468 C THR A 32 29.774 -4.904 5.168 1.00 61.12 C ATOM 469 O THR A 32 30.774 -4.403 4.654 1.00 12.02 O ATOM 470 CB THR A 32 31.023 -6.630 6.467 1.00 34.33 C ATOM 471 OG1 THR A 32 31.253 -8.040 6.572 1.00 41.31 O ATOM 472 CG2 THR A 32 30.863 -6.033 7.857 1.00 2.21 C ATOM 0 H THR A 32 30.620 -7.475 4.048 1.00 30.45 H new ATOM 0 HA THR A 32 28.882 -6.558 6.208 1.00 34.22 H new ATOM 0 HB THR A 32 31.877 -6.158 5.982 1.00 34.33 H new ATOM 0 HG1 THR A 32 32.051 -8.202 7.117 1.00 41.31 H new ATOM 0 HG21 THR A 32 31.759 -6.234 8.445 1.00 2.21 H new ATOM 0 HG22 THR A 32 30.717 -4.956 7.776 1.00 2.21 H new ATOM 0 HG23 THR A 32 29.999 -6.481 8.348 1.00 2.21 H new ATOM 480 N ALA A 33 28.649 -4.227 5.372 1.00 11.01 N ATOM 481 CA ALA A 33 28.523 -2.824 4.997 1.00 11.05 C ATOM 482 C ALA A 33 27.830 -2.023 6.095 1.00 44.23 C ATOM 483 O ALA A 33 26.950 -2.533 6.788 1.00 5.24 O ATOM 484 CB ALA A 33 27.762 -2.694 3.686 1.00 21.12 C ATOM 0 H ALA A 33 27.812 -4.627 5.795 1.00 11.01 H new ATOM 0 HA ALA A 33 29.526 -2.417 4.864 1.00 11.05 H new ATOM 0 HB1 ALA A 33 27.676 -1.641 3.418 1.00 21.12 H new ATOM 0 HB2 ALA A 33 28.298 -3.225 2.900 1.00 21.12 H new ATOM 0 HB3 ALA A 33 26.766 -3.122 3.799 1.00 21.12 H new ATOM 490 N VAL A 34 28.234 -0.765 6.247 1.00 33.42 N ATOM 491 CA VAL A 34 27.651 0.107 7.260 1.00 25.43 C ATOM 492 C VAL A 34 26.789 1.190 6.623 1.00 42.32 C ATOM 493 O VAL A 34 27.297 2.084 5.945 1.00 74.11 O ATOM 494 CB VAL A 34 28.741 0.773 8.121 1.00 43.13 C ATOM 495 CG1 VAL A 34 28.126 1.797 9.063 1.00 64.13 C ATOM 496 CG2 VAL A 34 29.523 -0.276 8.897 1.00 35.20 C ATOM 0 H VAL A 34 28.962 -0.328 5.682 1.00 33.42 H new ATOM 0 HA VAL A 34 27.028 -0.520 7.897 1.00 25.43 H new ATOM 0 HB VAL A 34 29.434 1.293 7.460 1.00 43.13 H new ATOM 0 HG11 VAL A 34 28.911 2.257 9.663 1.00 64.13 H new ATOM 0 HG12 VAL A 34 27.616 2.565 8.482 1.00 64.13 H new ATOM 0 HG13 VAL A 34 27.410 1.303 9.720 1.00 64.13 H new ATOM 0 HG21 VAL A 34 30.289 0.213 9.500 1.00 35.20 H new ATOM 0 HG22 VAL A 34 28.845 -0.827 9.549 1.00 35.20 H new ATOM 0 HG23 VAL A 34 29.997 -0.967 8.199 1.00 35.20 H new ATOM 506 N VAL A 35 25.481 1.105 6.845 1.00 4.42 N ATOM 507 CA VAL A 35 24.547 2.080 6.294 1.00 63.21 C ATOM 508 C VAL A 35 23.660 2.669 7.385 1.00 62.11 C ATOM 509 O VAL A 35 23.201 1.957 8.278 1.00 72.34 O ATOM 510 CB VAL A 35 23.656 1.450 5.207 1.00 40.21 C ATOM 511 CG1 VAL A 35 22.871 2.525 4.471 1.00 42.41 C ATOM 512 CG2 VAL A 35 24.496 0.633 4.237 1.00 41.42 C ATOM 0 H VAL A 35 25.044 0.371 7.403 1.00 4.42 H new ATOM 0 HA VAL A 35 25.145 2.875 5.848 1.00 63.21 H new ATOM 0 HB VAL A 35 22.944 0.780 5.689 1.00 40.21 H new ATOM 0 HG11 VAL A 35 22.247 2.061 3.707 1.00 42.41 H new ATOM 0 HG12 VAL A 35 22.239 3.063 5.178 1.00 42.41 H new ATOM 0 HG13 VAL A 35 23.563 3.223 4.000 1.00 42.41 H new ATOM 0 HG21 VAL A 35 23.850 0.195 3.476 1.00 41.42 H new ATOM 0 HG22 VAL A 35 25.233 1.279 3.760 1.00 41.42 H new ATOM 0 HG23 VAL A 35 25.008 -0.162 4.779 1.00 41.42 H new ATOM 522 N SER A 36 23.423 3.974 7.306 1.00 13.32 N ATOM 523 CA SER A 36 22.593 4.661 8.289 1.00 33.11 C ATOM 524 C SER A 36 21.593 5.587 7.604 1.00 52.14 C ATOM 525 O SER A 36 21.712 5.875 6.412 1.00 24.42 O ATOM 526 CB SER A 36 23.467 5.462 9.256 1.00 60.40 C ATOM 527 OG SER A 36 23.940 6.652 8.650 1.00 53.04 O ATOM 0 H SER A 36 23.794 4.577 6.572 1.00 13.32 H new ATOM 0 HA SER A 36 22.039 3.908 8.850 1.00 33.11 H new ATOM 0 HB2 SER A 36 22.894 5.708 10.150 1.00 60.40 H new ATOM 0 HB3 SER A 36 24.312 4.853 9.577 1.00 60.40 H new ATOM 0 HG SER A 36 24.494 7.147 9.289 1.00 53.04 H new ATOM 533 N ILE A 37 20.607 6.051 8.365 1.00 63.42 N ATOM 534 CA ILE A 37 19.587 6.945 7.832 1.00 20.10 C ATOM 535 C ILE A 37 19.725 8.347 8.416 1.00 23.42 C ATOM 536 O ILE A 37 20.168 8.516 9.552 1.00 22.12 O ATOM 537 CB ILE A 37 18.169 6.418 8.122 1.00 63.32 C ATOM 538 CG1 ILE A 37 17.678 6.930 9.477 1.00 1.22 C ATOM 539 CG2 ILE A 37 18.152 4.897 8.087 1.00 63.24 C ATOM 540 CD1 ILE A 37 18.427 6.343 10.653 1.00 60.32 C ATOM 0 H ILE A 37 20.493 5.822 9.353 1.00 63.42 H new ATOM 0 HA ILE A 37 19.737 6.987 6.753 1.00 20.10 H new ATOM 0 HB ILE A 37 17.495 6.788 7.349 1.00 63.32 H new ATOM 0 HG12 ILE A 37 17.772 8.016 9.502 1.00 1.22 H new ATOM 0 HG13 ILE A 37 16.618 6.700 9.581 1.00 1.22 H new ATOM 0 HG21 ILE A 37 17.143 4.540 8.294 1.00 63.24 H new ATOM 0 HG22 ILE A 37 18.464 4.552 7.101 1.00 63.24 H new ATOM 0 HG23 ILE A 37 18.836 4.508 8.841 1.00 63.24 H new ATOM 0 HD11 ILE A 37 18.025 6.751 11.581 1.00 60.32 H new ATOM 0 HD12 ILE A 37 18.312 5.259 10.653 1.00 60.32 H new ATOM 0 HD13 ILE A 37 19.484 6.595 10.574 1.00 60.32 H new ATOM 552 N SER A 38 19.342 9.349 7.632 1.00 15.13 N ATOM 553 CA SER A 38 19.424 10.737 8.071 1.00 44.32 C ATOM 554 C SER A 38 18.915 11.681 6.986 1.00 54.12 C ATOM 555 O SER A 38 18.552 11.250 5.892 1.00 22.22 O ATOM 556 CB SER A 38 20.867 11.094 8.436 1.00 34.32 C ATOM 557 OG SER A 38 21.458 11.910 7.440 1.00 23.13 O ATOM 0 H SER A 38 18.972 9.226 6.690 1.00 15.13 H new ATOM 0 HA SER A 38 18.794 10.851 8.953 1.00 44.32 H new ATOM 0 HB2 SER A 38 20.885 11.614 9.394 1.00 34.32 H new ATOM 0 HB3 SER A 38 21.451 10.182 8.557 1.00 34.32 H new ATOM 0 HG SER A 38 22.379 12.125 7.697 1.00 23.13 H new ATOM 563 N GLY A 39 18.890 12.973 7.298 1.00 51.40 N ATOM 564 CA GLY A 39 18.423 13.959 6.341 1.00 61.05 C ATOM 565 C GLY A 39 18.100 15.290 6.990 1.00 52.14 C ATOM 566 O GLY A 39 18.479 16.345 6.482 1.00 25.43 O ATOM 0 H GLY A 39 19.185 13.355 8.197 1.00 51.40 H new ATOM 0 HA2 GLY A 39 19.185 14.107 5.576 1.00 61.05 H new ATOM 0 HA3 GLY A 39 17.534 13.579 5.837 1.00 61.05 H new ATOM 595 N ASP A 43 13.438 12.281 13.910 1.00 74.52 N ATOM 596 CA ASP A 43 12.015 12.037 14.117 1.00 31.24 C ATOM 597 C ASP A 43 11.598 10.702 13.509 1.00 73.24 C ATOM 598 O ASP A 43 10.424 10.334 13.540 1.00 32.10 O ATOM 599 CB ASP A 43 11.187 13.170 13.509 1.00 64.15 C ATOM 600 CG ASP A 43 10.946 14.302 14.488 1.00 64.20 C ATOM 601 OD1 ASP A 43 10.135 14.118 15.420 1.00 61.03 O ATOM 602 OD2 ASP A 43 11.570 15.371 14.323 1.00 12.04 O ATOM 0 HA ASP A 43 11.831 12.000 15.191 1.00 31.24 H new ATOM 0 HB2 ASP A 43 11.699 13.558 12.629 1.00 64.15 H new ATOM 0 HB3 ASP A 43 10.229 12.775 13.172 1.00 64.15 H new ATOM 607 N ALA A 44 12.567 9.981 12.954 1.00 1.31 N ATOM 608 CA ALA A 44 12.301 8.687 12.339 1.00 53.11 C ATOM 609 C ALA A 44 13.097 7.580 13.022 1.00 41.33 C ATOM 610 O ALA A 44 14.311 7.477 12.846 1.00 3.32 O ATOM 611 CB ALA A 44 12.624 8.733 10.853 1.00 71.42 C ATOM 0 H ALA A 44 13.544 10.272 12.918 1.00 1.31 H new ATOM 0 HA ALA A 44 11.241 8.465 12.462 1.00 53.11 H new ATOM 0 HB1 ALA A 44 12.421 7.760 10.406 1.00 71.42 H new ATOM 0 HB2 ALA A 44 12.007 9.490 10.370 1.00 71.42 H new ATOM 0 HB3 ALA A 44 13.676 8.982 10.717 1.00 71.42 H new ATOM 617 N ASP A 45 12.406 6.755 13.801 1.00 43.41 N ATOM 618 CA ASP A 45 13.050 5.656 14.510 1.00 35.53 C ATOM 619 C ASP A 45 13.375 4.510 13.556 1.00 1.35 C ATOM 620 O ASP A 45 12.704 4.325 12.540 1.00 24.01 O ATOM 621 CB ASP A 45 12.150 5.154 15.641 1.00 53.02 C ATOM 622 CG ASP A 45 12.660 5.559 17.010 1.00 54.43 C ATOM 623 OD1 ASP A 45 13.552 4.865 17.540 1.00 51.15 O ATOM 624 OD2 ASP A 45 12.166 6.571 17.552 1.00 74.53 O ATOM 0 H ASP A 45 11.401 6.827 13.957 1.00 43.41 H new ATOM 0 HA ASP A 45 13.983 6.027 14.935 1.00 35.53 H new ATOM 0 HB2 ASP A 45 11.143 5.546 15.501 1.00 53.02 H new ATOM 0 HB3 ASP A 45 12.079 4.068 15.590 1.00 53.02 H new ATOM 629 N LEU A 46 14.409 3.745 13.890 1.00 52.42 N ATOM 630 CA LEU A 46 14.825 2.618 13.062 1.00 13.25 C ATOM 631 C LEU A 46 14.781 1.316 13.855 1.00 24.31 C ATOM 632 O LEU A 46 15.361 1.216 14.937 1.00 62.23 O ATOM 633 CB LEU A 46 16.236 2.852 12.520 1.00 72.41 C ATOM 634 CG LEU A 46 16.691 1.908 11.406 1.00 3.12 C ATOM 635 CD1 LEU A 46 17.773 2.563 10.561 1.00 32.20 C ATOM 636 CD2 LEU A 46 17.191 0.595 11.991 1.00 75.22 C ATOM 0 H LEU A 46 14.974 3.884 14.728 1.00 52.42 H new ATOM 0 HA LEU A 46 14.131 2.536 12.226 1.00 13.25 H new ATOM 0 HB2 LEU A 46 16.296 3.875 12.149 1.00 72.41 H new ATOM 0 HB3 LEU A 46 16.940 2.771 13.348 1.00 72.41 H new ATOM 0 HG LEU A 46 15.836 1.695 10.764 1.00 3.12 H new ATOM 0 HD11 LEU A 46 18.085 1.877 9.773 1.00 32.20 H new ATOM 0 HD12 LEU A 46 17.382 3.476 10.113 1.00 32.20 H new ATOM 0 HD13 LEU A 46 18.629 2.806 11.190 1.00 32.20 H new ATOM 0 HD21 LEU A 46 17.511 -0.065 11.184 1.00 75.22 H new ATOM 0 HD22 LEU A 46 18.033 0.790 12.655 1.00 75.22 H new ATOM 0 HD23 LEU A 46 16.388 0.118 12.553 1.00 75.22 H new ATOM 648 N TYR A 47 14.093 0.320 13.309 1.00 35.22 N ATOM 649 CA TYR A 47 13.973 -0.977 13.965 1.00 4.13 C ATOM 650 C TYR A 47 14.224 -2.112 12.978 1.00 64.24 C ATOM 651 O TYR A 47 13.782 -2.061 11.829 1.00 63.20 O ATOM 652 CB TYR A 47 12.587 -1.129 14.593 1.00 53.03 C ATOM 653 CG TYR A 47 12.213 0.007 15.517 1.00 14.34 C ATOM 654 CD1 TYR A 47 13.078 0.428 16.519 1.00 5.20 C ATOM 655 CD2 TYR A 47 10.993 0.661 15.388 1.00 20.25 C ATOM 656 CE1 TYR A 47 12.740 1.465 17.366 1.00 2.44 C ATOM 657 CE2 TYR A 47 10.647 1.700 16.230 1.00 20.05 C ATOM 658 CZ TYR A 47 11.524 2.098 17.218 1.00 13.21 C ATOM 659 OH TYR A 47 11.184 3.133 18.059 1.00 34.33 O ATOM 0 H TYR A 47 13.609 0.386 12.413 1.00 35.22 H new ATOM 0 HA TYR A 47 14.727 -1.029 14.750 1.00 4.13 H new ATOM 0 HB2 TYR A 47 11.844 -1.200 13.799 1.00 53.03 H new ATOM 0 HB3 TYR A 47 12.550 -2.066 15.149 1.00 53.03 H new ATOM 0 HD1 TYR A 47 14.032 -0.064 16.638 1.00 5.20 H new ATOM 0 HD2 TYR A 47 10.304 0.351 14.616 1.00 20.25 H new ATOM 0 HE1 TYR A 47 13.425 1.779 18.140 1.00 2.44 H new ATOM 0 HE2 TYR A 47 9.695 2.198 16.116 1.00 20.05 H new ATOM 0 HH TYR A 47 11.986 3.457 18.519 1.00 34.33 H new ATOM 669 N LEU A 48 14.936 -3.137 13.433 1.00 4.01 N ATOM 670 CA LEU A 48 15.247 -4.287 12.591 1.00 30.23 C ATOM 671 C LEU A 48 15.219 -5.579 13.402 1.00 2.22 C ATOM 672 O LEU A 48 15.774 -5.648 14.499 1.00 33.23 O ATOM 673 CB LEU A 48 16.619 -4.111 11.939 1.00 41.24 C ATOM 674 CG LEU A 48 16.796 -4.754 10.563 1.00 74.33 C ATOM 675 CD1 LEU A 48 18.137 -4.366 9.960 1.00 30.32 C ATOM 676 CD2 LEU A 48 16.671 -6.268 10.662 1.00 40.32 C ATOM 0 H LEU A 48 15.309 -3.195 14.381 1.00 4.01 H new ATOM 0 HA LEU A 48 14.487 -4.352 11.812 1.00 30.23 H new ATOM 0 HB2 LEU A 48 16.821 -3.044 11.848 1.00 41.24 H new ATOM 0 HB3 LEU A 48 17.373 -4.522 12.610 1.00 41.24 H new ATOM 0 HG LEU A 48 16.007 -4.386 9.907 1.00 74.33 H new ATOM 0 HD11 LEU A 48 18.245 -4.833 8.981 1.00 30.32 H new ATOM 0 HD12 LEU A 48 18.188 -3.282 9.853 1.00 30.32 H new ATOM 0 HD13 LEU A 48 18.941 -4.704 10.614 1.00 30.32 H new ATOM 0 HD21 LEU A 48 16.800 -6.709 9.674 1.00 40.32 H new ATOM 0 HD22 LEU A 48 17.438 -6.653 11.334 1.00 40.32 H new ATOM 0 HD23 LEU A 48 15.686 -6.527 11.050 1.00 40.32 H new ATOM 688 N LYS A 49 14.572 -6.602 12.854 1.00 14.53 N ATOM 689 CA LYS A 49 14.474 -7.893 13.524 1.00 72.11 C ATOM 690 C LYS A 49 14.573 -9.036 12.519 1.00 43.04 C ATOM 691 O LYS A 49 13.785 -9.117 11.577 1.00 63.01 O ATOM 692 CB LYS A 49 13.156 -7.992 14.296 1.00 42.11 C ATOM 693 CG LYS A 49 13.338 -8.284 15.775 1.00 24.42 C ATOM 694 CD LYS A 49 12.224 -9.169 16.310 1.00 5.41 C ATOM 695 CE LYS A 49 12.617 -9.826 17.624 1.00 22.12 C ATOM 696 NZ LYS A 49 11.801 -11.040 17.903 1.00 62.34 N ATOM 0 H LYS A 49 14.107 -6.562 11.947 1.00 14.53 H new ATOM 0 HA LYS A 49 15.305 -7.975 14.224 1.00 72.11 H new ATOM 0 HB2 LYS A 49 12.608 -7.057 14.184 1.00 42.11 H new ATOM 0 HB3 LYS A 49 12.543 -8.776 13.852 1.00 42.11 H new ATOM 0 HG2 LYS A 49 14.300 -8.771 15.935 1.00 24.42 H new ATOM 0 HG3 LYS A 49 13.359 -7.347 16.332 1.00 24.42 H new ATOM 0 HD2 LYS A 49 11.323 -8.574 16.455 1.00 5.41 H new ATOM 0 HD3 LYS A 49 11.984 -9.937 15.575 1.00 5.41 H new ATOM 0 HE2 LYS A 49 13.672 -10.097 17.593 1.00 22.12 H new ATOM 0 HE3 LYS A 49 12.495 -9.111 18.438 1.00 22.12 H new ATOM 0 HZ1 LYS A 49 12.099 -11.459 18.807 1.00 62.34 H new ATOM 0 HZ2 LYS A 49 10.796 -10.778 17.958 1.00 62.34 H new ATOM 0 HZ3 LYS A 49 11.937 -11.733 17.139 1.00 62.34 H new ATOM 710 N ALA A 50 15.546 -9.918 12.726 1.00 13.33 N ATOM 711 CA ALA A 50 15.745 -11.058 11.840 1.00 2.22 C ATOM 712 C ALA A 50 14.544 -11.996 11.874 1.00 73.11 C ATOM 713 O ALA A 50 14.064 -12.368 12.944 1.00 54.41 O ATOM 714 CB ALA A 50 17.013 -11.807 12.222 1.00 64.04 C ATOM 0 H ALA A 50 16.209 -9.864 13.500 1.00 13.33 H new ATOM 0 HA ALA A 50 15.850 -10.682 10.822 1.00 2.22 H new ATOM 0 HB1 ALA A 50 17.150 -12.656 11.552 1.00 64.04 H new ATOM 0 HB2 ALA A 50 17.870 -11.138 12.139 1.00 64.04 H new ATOM 0 HB3 ALA A 50 16.929 -12.164 13.248 1.00 64.04 H new ATOM 720 N GLY A 51 14.062 -12.376 10.694 1.00 15.42 N ATOM 721 CA GLY A 51 12.919 -13.267 10.612 1.00 42.24 C ATOM 722 C GLY A 51 11.599 -12.524 10.669 1.00 20.11 C ATOM 723 O GLY A 51 10.984 -12.258 9.637 1.00 55.41 O ATOM 0 H GLY A 51 14.442 -12.083 9.794 1.00 15.42 H new ATOM 0 HA2 GLY A 51 12.972 -13.836 9.684 1.00 42.24 H new ATOM 0 HA3 GLY A 51 12.963 -13.986 11.430 1.00 42.24 H new ATOM 727 N SER A 52 11.162 -12.190 11.879 1.00 32.21 N ATOM 728 CA SER A 52 9.903 -11.479 12.068 1.00 50.35 C ATOM 729 C SER A 52 10.135 -9.972 12.134 1.00 62.25 C ATOM 730 O SER A 52 11.273 -9.504 12.078 1.00 75.03 O ATOM 731 CB SER A 52 9.209 -11.956 13.345 1.00 4.30 C ATOM 732 OG SER A 52 9.391 -13.348 13.535 1.00 63.24 O ATOM 0 H SER A 52 11.661 -12.400 12.743 1.00 32.21 H new ATOM 0 HA SER A 52 9.262 -11.694 11.213 1.00 50.35 H new ATOM 0 HB2 SER A 52 9.607 -11.414 14.203 1.00 4.30 H new ATOM 0 HB3 SER A 52 8.144 -11.729 13.290 1.00 4.30 H new ATOM 0 HG SER A 52 8.939 -13.628 14.359 1.00 63.24 H new ATOM 738 N LYS A 53 9.048 -9.217 12.253 1.00 63.24 N ATOM 739 CA LYS A 53 9.131 -7.763 12.328 1.00 75.43 C ATOM 740 C LYS A 53 9.309 -7.302 13.771 1.00 64.33 C ATOM 741 O LYS A 53 8.678 -7.816 14.694 1.00 13.44 O ATOM 742 CB LYS A 53 7.872 -7.129 11.731 1.00 61.32 C ATOM 743 CG LYS A 53 6.670 -7.175 12.658 1.00 73.12 C ATOM 744 CD LYS A 53 6.515 -5.878 13.435 1.00 72.45 C ATOM 745 CE LYS A 53 5.398 -5.018 12.865 1.00 54.41 C ATOM 746 NZ LYS A 53 4.246 -4.912 13.803 1.00 52.31 N ATOM 0 H LYS A 53 8.099 -9.588 12.300 1.00 63.24 H new ATOM 0 HA LYS A 53 10.000 -7.443 11.753 1.00 75.43 H new ATOM 0 HB2 LYS A 53 8.084 -6.091 11.476 1.00 61.32 H new ATOM 0 HB3 LYS A 53 7.623 -7.641 10.801 1.00 61.32 H new ATOM 0 HG2 LYS A 53 5.767 -7.362 12.076 1.00 73.12 H new ATOM 0 HG3 LYS A 53 6.778 -8.007 13.354 1.00 73.12 H new ATOM 0 HD2 LYS A 53 6.306 -6.102 14.481 1.00 72.45 H new ATOM 0 HD3 LYS A 53 7.453 -5.323 13.409 1.00 72.45 H new ATOM 0 HE2 LYS A 53 5.782 -4.021 12.647 1.00 54.41 H new ATOM 0 HE3 LYS A 53 5.059 -5.442 11.920 1.00 54.41 H new ATOM 0 HZ1 LYS A 53 3.506 -4.318 13.378 1.00 52.31 H new ATOM 0 HZ2 LYS A 53 3.863 -5.860 13.991 1.00 52.31 H new ATOM 0 HZ3 LYS A 53 4.564 -4.484 14.696 1.00 52.31 H new ATOM 760 N PRO A 54 10.189 -6.310 13.971 1.00 2.10 N ATOM 761 CA PRO A 54 10.470 -5.757 15.299 1.00 15.33 C ATOM 762 C PRO A 54 9.295 -4.959 15.855 1.00 74.21 C ATOM 763 O PRO A 54 8.595 -4.266 15.115 1.00 20.41 O ATOM 764 CB PRO A 54 11.671 -4.840 15.055 1.00 14.43 C ATOM 765 CG PRO A 54 11.573 -4.461 13.618 1.00 75.43 C ATOM 766 CD PRO A 54 10.978 -5.651 12.916 1.00 14.02 C ATOM 0 HA PRO A 54 10.656 -6.539 16.035 1.00 15.33 H new ATOM 0 HB2 PRO A 54 11.636 -3.962 15.699 1.00 14.43 H new ATOM 0 HB3 PRO A 54 12.610 -5.352 15.266 1.00 14.43 H new ATOM 0 HG2 PRO A 54 10.947 -3.578 13.489 1.00 75.43 H new ATOM 0 HG3 PRO A 54 12.554 -4.218 13.211 1.00 75.43 H new ATOM 0 HD2 PRO A 54 10.353 -5.350 12.075 1.00 14.02 H new ATOM 0 HD3 PRO A 54 11.750 -6.311 12.520 1.00 14.02 H new ATOM 774 N THR A 55 9.082 -5.061 17.163 1.00 4.54 N ATOM 775 CA THR A 55 7.992 -4.349 17.818 1.00 33.32 C ATOM 776 C THR A 55 8.506 -3.130 18.574 1.00 1.40 C ATOM 777 O THR A 55 9.708 -2.861 18.597 1.00 52.13 O ATOM 778 CB THR A 55 7.233 -5.264 18.798 1.00 12.01 C ATOM 779 OG1 THR A 55 7.816 -5.175 20.103 1.00 53.40 O ATOM 780 CG2 THR A 55 7.261 -6.709 18.322 1.00 2.43 C ATOM 0 H THR A 55 9.651 -5.630 17.790 1.00 4.54 H new ATOM 0 HA THR A 55 7.310 -4.024 17.032 1.00 33.32 H new ATOM 0 HB THR A 55 6.196 -4.932 18.841 1.00 12.01 H new ATOM 0 HG1 THR A 55 7.109 -5.041 20.769 1.00 53.40 H new ATOM 0 HG21 THR A 55 6.719 -7.336 19.030 1.00 2.43 H new ATOM 0 HG22 THR A 55 6.790 -6.778 17.341 1.00 2.43 H new ATOM 0 HG23 THR A 55 8.294 -7.049 18.253 1.00 2.43 H new ATOM 788 N THR A 56 7.589 -2.393 19.194 1.00 42.13 N ATOM 789 CA THR A 56 7.950 -1.201 19.951 1.00 42.14 C ATOM 790 C THR A 56 8.796 -1.558 21.167 1.00 5.43 C ATOM 791 O THR A 56 9.415 -0.689 21.781 1.00 1.54 O ATOM 792 CB THR A 56 6.700 -0.431 20.417 1.00 71.41 C ATOM 793 OG1 THR A 56 5.832 -1.304 21.148 1.00 74.52 O ATOM 794 CG2 THR A 56 5.953 0.158 19.230 1.00 60.43 C ATOM 0 H THR A 56 6.591 -2.601 19.186 1.00 42.13 H new ATOM 0 HA THR A 56 8.530 -0.565 19.282 1.00 42.14 H new ATOM 0 HB THR A 56 7.023 0.385 21.063 1.00 71.41 H new ATOM 0 HG1 THR A 56 5.040 -0.807 21.442 1.00 74.52 H new ATOM 0 HG21 THR A 56 5.074 0.697 19.584 1.00 60.43 H new ATOM 0 HG22 THR A 56 6.607 0.844 18.692 1.00 60.43 H new ATOM 0 HG23 THR A 56 5.641 -0.645 18.562 1.00 60.43 H new ATOM 802 N SER A 57 8.820 -2.842 21.510 1.00 11.43 N ATOM 803 CA SER A 57 9.589 -3.313 22.656 1.00 14.23 C ATOM 804 C SER A 57 10.616 -4.356 22.229 1.00 25.22 C ATOM 805 O SER A 57 11.647 -4.530 22.879 1.00 64.32 O ATOM 806 CB SER A 57 8.655 -3.903 23.715 1.00 24.32 C ATOM 807 OG SER A 57 7.889 -2.889 24.342 1.00 25.44 O ATOM 0 H SER A 57 8.316 -3.575 21.011 1.00 11.43 H new ATOM 0 HA SER A 57 10.119 -2.461 23.083 1.00 14.23 H new ATOM 0 HB2 SER A 57 7.990 -4.632 23.252 1.00 24.32 H new ATOM 0 HB3 SER A 57 9.240 -4.436 24.464 1.00 24.32 H new ATOM 0 HG SER A 57 7.299 -3.292 25.013 1.00 25.44 H new ATOM 813 N SER A 58 10.327 -5.048 21.132 1.00 41.03 N ATOM 814 CA SER A 58 11.223 -6.077 20.619 1.00 64.45 C ATOM 815 C SER A 58 12.021 -5.558 19.427 1.00 44.15 C ATOM 816 O SER A 58 11.453 -5.057 18.456 1.00 1.44 O ATOM 817 CB SER A 58 10.428 -7.319 20.212 1.00 61.51 C ATOM 818 OG SER A 58 10.753 -8.425 21.036 1.00 31.51 O ATOM 0 H SER A 58 9.479 -4.915 20.581 1.00 41.03 H new ATOM 0 HA SER A 58 11.921 -6.344 21.413 1.00 64.45 H new ATOM 0 HB2 SER A 58 9.360 -7.110 20.282 1.00 61.51 H new ATOM 0 HB3 SER A 58 10.637 -7.563 19.171 1.00 61.51 H new ATOM 0 HG SER A 58 10.231 -9.206 20.757 1.00 31.51 H new ATOM 824 N TRP A 59 13.341 -5.682 19.507 1.00 2.45 N ATOM 825 CA TRP A 59 14.219 -5.225 18.436 1.00 54.43 C ATOM 826 C TRP A 59 15.501 -6.048 18.394 1.00 60.34 C ATOM 827 O TRP A 59 15.928 -6.601 19.407 1.00 31.43 O ATOM 828 CB TRP A 59 14.555 -3.744 18.620 1.00 13.12 C ATOM 829 CG TRP A 59 14.220 -3.225 19.986 1.00 45.31 C ATOM 830 CD1 TRP A 59 13.032 -2.685 20.390 1.00 65.44 C ATOM 831 CD2 TRP A 59 15.085 -3.194 21.126 1.00 24.14 C ATOM 832 NE1 TRP A 59 13.107 -2.321 21.712 1.00 31.45 N ATOM 833 CE2 TRP A 59 14.355 -2.624 22.188 1.00 45.23 C ATOM 834 CE3 TRP A 59 16.404 -3.595 21.355 1.00 5.22 C ATOM 835 CZ2 TRP A 59 14.903 -2.444 23.455 1.00 33.43 C ATOM 836 CZ3 TRP A 59 16.946 -3.416 22.614 1.00 42.22 C ATOM 837 CH2 TRP A 59 16.196 -2.846 23.651 1.00 3.40 C ATOM 0 H TRP A 59 13.827 -6.095 20.303 1.00 2.45 H new ATOM 0 HA TRP A 59 13.694 -5.356 17.490 1.00 54.43 H new ATOM 0 HB2 TRP A 59 15.618 -3.594 18.433 1.00 13.12 H new ATOM 0 HB3 TRP A 59 14.014 -3.161 17.875 1.00 13.12 H new ATOM 0 HD1 TRP A 59 12.162 -2.562 19.762 1.00 65.44 H new ATOM 0 HE1 TRP A 59 12.355 -1.894 22.252 1.00 31.45 H new ATOM 0 HE3 TRP A 59 16.990 -4.037 20.562 1.00 5.22 H new ATOM 0 HZ2 TRP A 59 14.328 -2.002 24.255 1.00 33.43 H new ATOM 0 HZ3 TRP A 59 17.965 -3.721 22.801 1.00 42.22 H new ATOM 0 HH2 TRP A 59 16.647 -2.721 24.624 1.00 3.40 H new ATOM 848 N ASP A 60 16.111 -6.126 17.216 1.00 11.40 N ATOM 849 CA ASP A 60 17.346 -6.881 17.043 1.00 61.21 C ATOM 850 C ASP A 60 18.519 -5.948 16.761 1.00 42.32 C ATOM 851 O ASP A 60 19.668 -6.266 17.072 1.00 74.43 O ATOM 852 CB ASP A 60 17.196 -7.891 15.904 1.00 41.44 C ATOM 853 CG ASP A 60 18.276 -8.954 15.926 1.00 24.03 C ATOM 854 OD1 ASP A 60 18.805 -9.240 17.021 1.00 1.02 O ATOM 855 OD2 ASP A 60 18.593 -9.501 14.849 1.00 35.04 O ATOM 0 H ASP A 60 15.770 -5.675 16.367 1.00 11.40 H new ATOM 0 HA ASP A 60 17.547 -7.418 17.970 1.00 61.21 H new ATOM 0 HB2 ASP A 60 16.219 -8.369 15.973 1.00 41.44 H new ATOM 0 HB3 ASP A 60 17.227 -7.365 14.950 1.00 41.44 H new ATOM 860 N CYS A 61 18.223 -4.796 16.170 1.00 52.50 N ATOM 861 CA CYS A 61 19.253 -3.816 15.844 1.00 24.10 C ATOM 862 C CYS A 61 18.759 -2.398 16.110 1.00 41.11 C ATOM 863 O CYS A 61 17.731 -1.978 15.578 1.00 63.21 O ATOM 864 CB CYS A 61 19.675 -3.956 14.381 1.00 71.34 C ATOM 865 SG CYS A 61 20.272 -5.605 13.939 1.00 11.11 S ATOM 0 H CYS A 61 17.278 -4.517 15.907 1.00 52.50 H new ATOM 0 HA CYS A 61 20.115 -4.006 16.483 1.00 24.10 H new ATOM 0 HB2 CYS A 61 18.827 -3.706 13.744 1.00 71.34 H new ATOM 0 HB3 CYS A 61 20.459 -3.229 14.169 1.00 71.34 H new ATOM 0 HG CYS A 61 20.603 -5.624 12.682 1.00 11.11 H new ATOM 871 N ARG A 62 19.497 -1.665 16.937 1.00 30.14 N ATOM 872 CA ARG A 62 19.132 -0.295 17.276 1.00 1.14 C ATOM 873 C ARG A 62 20.152 0.319 18.231 1.00 11.01 C ATOM 874 O ARG A 62 20.322 -0.126 19.366 1.00 4.23 O ATOM 875 CB ARG A 62 17.739 -0.257 17.908 1.00 42.22 C ATOM 876 CG ARG A 62 17.384 1.089 18.518 1.00 54.22 C ATOM 877 CD ARG A 62 15.912 1.159 18.895 1.00 71.34 C ATOM 878 NE ARG A 62 15.624 2.293 19.768 1.00 14.11 N ATOM 879 CZ ARG A 62 14.558 2.360 20.558 1.00 20.24 C ATOM 880 NH1 ARG A 62 13.685 1.362 20.585 1.00 12.41 N ATOM 881 NH2 ARG A 62 14.364 3.426 21.325 1.00 65.34 N ATOM 0 H ARG A 62 20.351 -1.997 17.385 1.00 30.14 H new ATOM 0 HA ARG A 62 19.123 0.290 16.356 1.00 1.14 H new ATOM 0 HB2 ARG A 62 16.998 -0.509 17.149 1.00 42.22 H new ATOM 0 HB3 ARG A 62 17.679 -1.024 18.680 1.00 42.22 H new ATOM 0 HG2 ARG A 62 17.996 1.261 19.403 1.00 54.22 H new ATOM 0 HG3 ARG A 62 17.617 1.884 17.810 1.00 54.22 H new ATOM 0 HD2 ARG A 62 15.309 1.236 17.990 1.00 71.34 H new ATOM 0 HD3 ARG A 62 15.621 0.235 19.394 1.00 71.34 H new ATOM 0 HE ARG A 62 16.277 3.077 19.772 1.00 14.11 H new ATOM 0 HH11 ARG A 62 13.831 0.541 19.998 1.00 12.41 H new ATOM 0 HH12 ARG A 62 12.867 1.416 21.192 1.00 12.41 H new ATOM 0 HH21 ARG A 62 15.034 4.195 21.308 1.00 65.34 H new ATOM 0 HH22 ARG A 62 13.545 3.476 21.931 1.00 65.34 H new ATOM 895 N PRO A 63 20.847 1.365 17.761 1.00 3.45 N ATOM 896 CA PRO A 63 21.862 2.063 18.557 1.00 21.30 C ATOM 897 C PRO A 63 21.252 2.859 19.706 1.00 61.42 C ATOM 898 O PRO A 63 21.968 3.384 20.559 1.00 51.35 O ATOM 899 CB PRO A 63 22.521 3.004 17.545 1.00 21.33 C ATOM 900 CG PRO A 63 21.480 3.229 16.504 1.00 40.12 C ATOM 901 CD PRO A 63 20.696 1.949 16.418 1.00 61.21 C ATOM 0 HA PRO A 63 22.557 1.369 19.030 1.00 21.30 H new ATOM 0 HB2 PRO A 63 22.822 3.941 18.013 1.00 21.33 H new ATOM 0 HB3 PRO A 63 23.419 2.559 17.117 1.00 21.33 H new ATOM 0 HG2 PRO A 63 20.834 4.065 16.773 1.00 40.12 H new ATOM 0 HG3 PRO A 63 21.935 3.473 15.544 1.00 40.12 H new ATOM 0 HD2 PRO A 63 19.650 2.134 16.176 1.00 61.21 H new ATOM 0 HD3 PRO A 63 21.090 1.288 15.646 1.00 61.21 H new ATOM 982 N ASN A 68 16.066 9.828 13.325 1.00 71.32 N ATOM 983 CA ASN A 68 17.145 9.714 12.351 1.00 44.33 C ATOM 984 C ASN A 68 18.495 9.575 13.048 1.00 21.23 C ATOM 985 O ASN A 68 18.607 9.790 14.254 1.00 10.43 O ATOM 986 CB ASN A 68 17.159 10.935 11.429 1.00 51.32 C ATOM 987 CG ASN A 68 18.072 12.034 11.938 1.00 52.11 C ATOM 988 OD1 ASN A 68 18.131 12.300 13.138 1.00 3.44 O ATOM 989 ND2 ASN A 68 18.789 12.678 11.024 1.00 14.23 N ATOM 0 HA ASN A 68 16.969 8.818 11.755 1.00 44.33 H new ATOM 0 HB2 ASN A 68 17.481 10.631 10.433 1.00 51.32 H new ATOM 0 HB3 ASN A 68 16.146 11.325 11.331 1.00 51.32 H new ATOM 0 HD21 ASN A 68 19.421 13.427 11.306 1.00 14.23 H new ATOM 0 HD22 ASN A 68 18.708 12.423 10.040 1.00 14.23 H new ATOM 996 N ASN A 69 19.518 9.213 12.280 1.00 14.30 N ATOM 997 CA ASN A 69 20.860 9.045 12.824 1.00 43.11 C ATOM 998 C ASN A 69 20.920 7.844 13.763 1.00 43.02 C ATOM 999 O ASN A 69 21.841 7.721 14.570 1.00 15.14 O ATOM 1000 CB ASN A 69 21.294 10.310 13.567 1.00 21.04 C ATOM 1001 CG ASN A 69 22.802 10.446 13.645 1.00 4.41 C ATOM 1002 OD1 ASN A 69 23.507 10.244 12.656 1.00 51.52 O ATOM 1003 ND2 ASN A 69 23.305 10.790 14.825 1.00 42.50 N ATOM 0 H ASN A 69 19.443 9.031 11.279 1.00 14.30 H new ATOM 0 HA ASN A 69 21.542 8.868 11.993 1.00 43.11 H new ATOM 0 HB2 ASN A 69 20.879 11.184 13.065 1.00 21.04 H new ATOM 0 HB3 ASN A 69 20.881 10.296 14.575 1.00 21.04 H new ATOM 0 HD21 ASN A 69 24.313 10.897 14.938 1.00 42.50 H new ATOM 0 HD22 ASN A 69 22.683 10.948 15.618 1.00 42.50 H new ATOM 1010 N GLU A 70 19.933 6.961 13.649 1.00 10.14 N ATOM 1011 CA GLU A 70 19.874 5.770 14.489 1.00 41.04 C ATOM 1012 C GLU A 70 19.850 4.505 13.636 1.00 31.52 C ATOM 1013 O GLU A 70 18.783 4.005 13.278 1.00 24.33 O ATOM 1014 CB GLU A 70 18.638 5.815 15.390 1.00 65.31 C ATOM 1015 CG GLU A 70 18.393 4.523 16.151 1.00 60.42 C ATOM 1016 CD GLU A 70 16.934 4.329 16.517 1.00 4.44 C ATOM 1017 OE1 GLU A 70 16.335 5.268 17.082 1.00 33.22 O ATOM 1018 OE2 GLU A 70 16.393 3.239 16.239 1.00 53.12 O ATOM 0 H GLU A 70 19.164 7.047 12.984 1.00 10.14 H new ATOM 0 HA GLU A 70 20.768 5.751 15.112 1.00 41.04 H new ATOM 0 HB2 GLU A 70 18.748 6.632 16.103 1.00 65.31 H new ATOM 0 HB3 GLU A 70 17.763 6.040 14.781 1.00 65.31 H new ATOM 0 HG2 GLU A 70 18.727 3.680 15.546 1.00 60.42 H new ATOM 0 HG3 GLU A 70 18.995 4.521 17.060 1.00 60.42 H new ATOM 1025 N SER A 71 21.033 3.992 13.314 1.00 4.22 N ATOM 1026 CA SER A 71 21.149 2.788 12.500 1.00 21.12 C ATOM 1027 C SER A 71 22.172 1.826 13.096 1.00 32.54 C ATOM 1028 O SER A 71 22.917 2.182 14.010 1.00 70.10 O ATOM 1029 CB SER A 71 21.548 3.151 11.068 1.00 33.14 C ATOM 1030 OG SER A 71 20.912 4.346 10.650 1.00 51.15 O ATOM 0 H SER A 71 21.925 4.392 13.605 1.00 4.22 H new ATOM 0 HA SER A 71 20.177 2.295 12.485 1.00 21.12 H new ATOM 0 HB2 SER A 71 22.630 3.270 11.008 1.00 33.14 H new ATOM 0 HB3 SER A 71 21.279 2.337 10.395 1.00 33.14 H new ATOM 0 HG SER A 71 21.221 5.092 11.205 1.00 51.15 H new ATOM 1036 N CYS A 72 22.201 0.605 12.573 1.00 22.01 N ATOM 1037 CA CYS A 72 23.132 -0.411 13.053 1.00 15.32 C ATOM 1038 C CYS A 72 24.032 -0.900 11.924 1.00 63.30 C ATOM 1039 O CYS A 72 23.651 -0.869 10.754 1.00 12.41 O ATOM 1040 CB CYS A 72 22.366 -1.588 13.658 1.00 31.22 C ATOM 1041 SG CYS A 72 23.065 -2.206 15.207 1.00 63.11 S ATOM 0 H CYS A 72 21.591 0.294 11.817 1.00 22.01 H new ATOM 0 HA CYS A 72 23.759 0.039 13.823 1.00 15.32 H new ATOM 0 HB2 CYS A 72 21.334 -1.284 13.833 1.00 31.22 H new ATOM 0 HB3 CYS A 72 22.340 -2.402 12.933 1.00 31.22 H new ATOM 0 HG CYS A 72 22.347 -3.199 15.641 1.00 63.11 H new ATOM 1047 N SER A 73 25.230 -1.351 12.283 1.00 61.34 N ATOM 1048 CA SER A 73 26.188 -1.843 11.299 1.00 51.51 C ATOM 1049 C SER A 73 26.679 -3.239 11.669 1.00 52.11 C ATOM 1050 O SER A 73 27.426 -3.412 12.632 1.00 60.01 O ATOM 1051 CB SER A 73 27.376 -0.884 11.190 1.00 74.43 C ATOM 1052 OG SER A 73 27.690 -0.317 12.449 1.00 3.43 O ATOM 0 H SER A 73 25.560 -1.386 13.247 1.00 61.34 H new ATOM 0 HA SER A 73 25.684 -1.898 10.334 1.00 51.51 H new ATOM 0 HB2 SER A 73 28.243 -1.417 10.801 1.00 74.43 H new ATOM 0 HB3 SER A 73 27.144 -0.092 10.478 1.00 74.43 H new ATOM 0 HG SER A 73 28.453 0.290 12.353 1.00 3.43 H new ATOM 1058 N VAL A 74 26.253 -4.233 10.896 1.00 33.13 N ATOM 1059 CA VAL A 74 26.649 -5.615 11.141 1.00 53.13 C ATOM 1060 C VAL A 74 26.671 -6.418 9.845 1.00 43.52 C ATOM 1061 O VAL A 74 25.949 -6.107 8.898 1.00 72.23 O ATOM 1062 CB VAL A 74 25.700 -6.302 12.141 1.00 61.12 C ATOM 1063 CG1 VAL A 74 25.862 -5.702 13.529 1.00 20.22 C ATOM 1064 CG2 VAL A 74 24.258 -6.192 11.668 1.00 22.35 C ATOM 0 H VAL A 74 25.634 -4.107 10.095 1.00 33.13 H new ATOM 0 HA VAL A 74 27.653 -5.586 11.565 1.00 53.13 H new ATOM 0 HB VAL A 74 25.961 -7.359 12.196 1.00 61.12 H new ATOM 0 HG11 VAL A 74 25.184 -6.200 14.222 1.00 20.22 H new ATOM 0 HG12 VAL A 74 26.890 -5.838 13.866 1.00 20.22 H new ATOM 0 HG13 VAL A 74 25.629 -4.638 13.495 1.00 20.22 H new ATOM 0 HG21 VAL A 74 23.601 -6.683 12.386 1.00 22.35 H new ATOM 0 HG22 VAL A 74 23.982 -5.141 11.583 1.00 22.35 H new ATOM 0 HG23 VAL A 74 24.156 -6.674 10.695 1.00 22.35 H new ATOM 1074 N SER A 75 27.506 -7.452 9.810 1.00 13.40 N ATOM 1075 CA SER A 75 27.625 -8.298 8.629 1.00 43.04 C ATOM 1076 C SER A 75 26.487 -9.313 8.570 1.00 45.32 C ATOM 1077 O SER A 75 26.507 -10.325 9.270 1.00 41.25 O ATOM 1078 CB SER A 75 28.972 -9.024 8.630 1.00 71.23 C ATOM 1079 OG SER A 75 29.121 -9.820 9.793 1.00 43.31 O ATOM 0 H SER A 75 28.110 -7.724 10.586 1.00 13.40 H new ATOM 0 HA SER A 75 27.565 -7.660 7.748 1.00 43.04 H new ATOM 0 HB2 SER A 75 29.051 -9.652 7.743 1.00 71.23 H new ATOM 0 HB3 SER A 75 29.781 -8.296 8.578 1.00 71.23 H new ATOM 0 HG SER A 75 28.258 -10.220 10.029 1.00 43.31 H new ATOM 1085 N ALA A 76 25.497 -9.033 7.729 1.00 34.04 N ATOM 1086 CA ALA A 76 24.351 -9.921 7.577 1.00 71.12 C ATOM 1087 C ALA A 76 24.656 -11.047 6.594 1.00 10.24 C ATOM 1088 O ALA A 76 25.462 -10.883 5.679 1.00 21.22 O ATOM 1089 CB ALA A 76 23.131 -9.135 7.119 1.00 21.04 C ATOM 0 H ALA A 76 25.465 -8.199 7.143 1.00 34.04 H new ATOM 0 HA ALA A 76 24.138 -10.368 8.548 1.00 71.12 H new ATOM 0 HB1 ALA A 76 22.283 -9.811 7.010 1.00 21.04 H new ATOM 0 HB2 ALA A 76 22.893 -8.370 7.858 1.00 21.04 H new ATOM 0 HB3 ALA A 76 23.343 -8.660 6.161 1.00 21.04 H new ATOM 1095 N ALA A 77 24.007 -12.190 6.791 1.00 12.32 N ATOM 1096 CA ALA A 77 24.208 -13.342 5.922 1.00 61.04 C ATOM 1097 C ALA A 77 22.921 -13.709 5.190 1.00 24.20 C ATOM 1098 O ALA A 77 21.820 -13.597 5.728 1.00 74.41 O ATOM 1099 CB ALA A 77 24.717 -14.529 6.727 1.00 55.41 C ATOM 0 H ALA A 77 23.337 -12.342 7.545 1.00 12.32 H new ATOM 0 HA ALA A 77 24.956 -13.076 5.175 1.00 61.04 H new ATOM 0 HB1 ALA A 77 24.863 -15.382 6.065 1.00 55.41 H new ATOM 0 HB2 ALA A 77 25.665 -14.269 7.198 1.00 55.41 H new ATOM 0 HB3 ALA A 77 23.988 -14.787 7.496 1.00 55.41 H new ATOM 1105 N PRO A 78 23.061 -14.157 3.934 1.00 64.44 N ATOM 1106 CA PRO A 78 21.920 -14.550 3.101 1.00 2.24 C ATOM 1107 C PRO A 78 21.261 -15.835 3.591 1.00 53.35 C ATOM 1108 O PRO A 78 21.917 -16.865 3.733 1.00 30.41 O ATOM 1109 CB PRO A 78 22.545 -14.762 1.720 1.00 13.40 C ATOM 1110 CG PRO A 78 23.971 -15.091 1.996 1.00 61.43 C ATOM 1111 CD PRO A 78 24.345 -14.316 3.229 1.00 75.11 C ATOM 0 HA PRO A 78 21.128 -13.801 3.115 1.00 2.24 H new ATOM 0 HB2 PRO A 78 22.050 -15.570 1.181 1.00 13.40 H new ATOM 0 HB3 PRO A 78 22.457 -13.867 1.104 1.00 13.40 H new ATOM 0 HG2 PRO A 78 24.101 -16.162 2.154 1.00 61.43 H new ATOM 0 HG3 PRO A 78 24.605 -14.814 1.154 1.00 61.43 H new ATOM 0 HD2 PRO A 78 25.073 -14.854 3.836 1.00 75.11 H new ATOM 0 HD3 PRO A 78 24.788 -13.352 2.979 1.00 75.11 H new ATOM 1119 N GLY A 79 19.958 -15.766 3.846 1.00 55.22 N ATOM 1120 CA GLY A 79 19.231 -16.931 4.316 1.00 41.10 C ATOM 1121 C GLY A 79 18.118 -16.570 5.279 1.00 34.10 C ATOM 1122 O GLY A 79 17.229 -17.380 5.544 1.00 15.15 O ATOM 0 H GLY A 79 19.393 -14.924 3.736 1.00 55.22 H new ATOM 0 HA2 GLY A 79 18.810 -17.462 3.462 1.00 41.10 H new ATOM 0 HA3 GLY A 79 19.924 -17.615 4.806 1.00 41.10 H new ATOM 1126 N THR A 80 18.165 -15.351 5.806 1.00 1.44 N ATOM 1127 CA THR A 80 17.155 -14.885 6.748 1.00 74.12 C ATOM 1128 C THR A 80 16.539 -13.569 6.287 1.00 12.11 C ATOM 1129 O THR A 80 17.250 -12.629 5.931 1.00 64.02 O ATOM 1130 CB THR A 80 17.745 -14.697 8.158 1.00 11.10 C ATOM 1131 OG1 THR A 80 18.427 -15.888 8.567 1.00 54.12 O ATOM 1132 CG2 THR A 80 16.652 -14.362 9.162 1.00 71.11 C ATOM 0 H THR A 80 18.893 -14.668 5.596 1.00 1.44 H new ATOM 0 HA THR A 80 16.381 -15.652 6.786 1.00 74.12 H new ATOM 0 HB THR A 80 18.452 -13.868 8.124 1.00 11.10 H new ATOM 0 HG1 THR A 80 18.801 -15.759 9.464 1.00 54.12 H new ATOM 0 HG21 THR A 80 17.093 -14.234 10.151 1.00 71.11 H new ATOM 0 HG22 THR A 80 16.155 -13.439 8.864 1.00 71.11 H new ATOM 0 HG23 THR A 80 15.924 -15.173 9.192 1.00 71.11 H new ATOM 1140 N THR A 81 15.211 -13.507 6.297 1.00 12.50 N ATOM 1141 CA THR A 81 14.499 -12.305 5.880 1.00 60.22 C ATOM 1142 C THR A 81 14.631 -11.199 6.920 1.00 43.52 C ATOM 1143 O THR A 81 14.542 -11.449 8.122 1.00 71.21 O ATOM 1144 CB THR A 81 13.005 -12.592 5.640 1.00 72.44 C ATOM 1145 OG1 THR A 81 12.857 -13.709 4.756 1.00 35.52 O ATOM 1146 CG2 THR A 81 12.308 -11.376 5.049 1.00 61.03 C ATOM 0 H THR A 81 14.607 -14.275 6.589 1.00 12.50 H new ATOM 0 HA THR A 81 14.954 -11.977 4.945 1.00 60.22 H new ATOM 0 HB THR A 81 12.544 -12.824 6.600 1.00 72.44 H new ATOM 0 HG1 THR A 81 11.904 -13.886 4.610 1.00 35.52 H new ATOM 0 HG21 THR A 81 11.254 -11.603 4.888 1.00 61.03 H new ATOM 0 HG22 THR A 81 12.397 -10.535 5.737 1.00 61.03 H new ATOM 0 HG23 THR A 81 12.772 -11.117 4.097 1.00 61.03 H new ATOM 1154 N TYR A 82 14.844 -9.974 6.450 1.00 20.42 N ATOM 1155 CA TYR A 82 14.990 -8.829 7.341 1.00 44.05 C ATOM 1156 C TYR A 82 13.769 -7.918 7.262 1.00 33.41 C ATOM 1157 O TYR A 82 13.227 -7.678 6.183 1.00 60.24 O ATOM 1158 CB TYR A 82 16.252 -8.040 6.987 1.00 1.32 C ATOM 1159 CG TYR A 82 17.534 -8.746 7.365 1.00 21.45 C ATOM 1160 CD1 TYR A 82 17.819 -9.050 8.691 1.00 15.21 C ATOM 1161 CD2 TYR A 82 18.461 -9.112 6.397 1.00 52.34 C ATOM 1162 CE1 TYR A 82 18.989 -9.695 9.041 1.00 10.40 C ATOM 1163 CE2 TYR A 82 19.633 -9.758 6.737 1.00 22.22 C ATOM 1164 CZ TYR A 82 19.893 -10.047 8.061 1.00 50.03 C ATOM 1165 OH TYR A 82 21.059 -10.691 8.405 1.00 4.31 O ATOM 0 H TYR A 82 14.919 -9.749 5.458 1.00 20.42 H new ATOM 0 HA TYR A 82 15.076 -9.203 8.361 1.00 44.05 H new ATOM 0 HB2 TYR A 82 16.258 -7.843 5.915 1.00 1.32 H new ATOM 0 HB3 TYR A 82 16.218 -7.073 7.489 1.00 1.32 H new ATOM 0 HD1 TYR A 82 17.113 -8.777 9.461 1.00 15.21 H new ATOM 0 HD2 TYR A 82 18.261 -8.887 5.360 1.00 52.34 H new ATOM 0 HE1 TYR A 82 19.195 -9.922 10.077 1.00 10.40 H new ATOM 0 HE2 TYR A 82 20.342 -10.035 5.971 1.00 22.22 H new ATOM 0 HH TYR A 82 21.172 -11.485 7.842 1.00 4.31 H new ATOM 1175 N HIS A 83 13.340 -7.413 8.415 1.00 62.53 N ATOM 1176 CA HIS A 83 12.183 -6.528 8.478 1.00 1.31 C ATOM 1177 C HIS A 83 12.614 -5.090 8.752 1.00 51.10 C ATOM 1178 O HIS A 83 13.718 -4.844 9.239 1.00 54.33 O ATOM 1179 CB HIS A 83 11.214 -6.997 9.563 1.00 33.42 C ATOM 1180 CG HIS A 83 10.179 -7.960 9.066 1.00 24.14 C ATOM 1181 ND1 HIS A 83 10.137 -9.312 9.107 1.00 20.11 N flip ATOM 1182 CD2 HIS A 83 9.019 -7.560 8.438 1.00 73.42 C flip ATOM 1183 CE1 HIS A 83 8.963 -9.701 8.509 1.00 4.51 C flip ATOM 1184 NE2 HIS A 83 8.306 -8.625 8.115 1.00 12.35 N flip ATOM 0 H HIS A 83 13.776 -7.602 9.317 1.00 62.53 H new ATOM 0 HA HIS A 83 11.679 -6.561 7.512 1.00 1.31 H new ATOM 0 HB2 HIS A 83 11.781 -7.468 10.366 1.00 33.42 H new ATOM 0 HB3 HIS A 83 10.714 -6.129 9.992 1.00 33.42 H new ATOM 0 HD1 HIS A 83 10.845 -9.927 9.507 1.00 20.11 H new ATOM 0 HD2 HIS A 83 8.737 -6.536 8.241 1.00 73.42 H new ATOM 0 HE1 HIS A 83 8.631 -10.721 8.382 1.00 4.51 H new ATOM 1192 N VAL A 84 11.736 -4.144 8.435 1.00 12.52 N ATOM 1193 CA VAL A 84 12.025 -2.730 8.647 1.00 21.33 C ATOM 1194 C VAL A 84 10.813 -2.000 9.214 1.00 75.15 C ATOM 1195 O VAL A 84 9.721 -2.056 8.647 1.00 23.53 O ATOM 1196 CB VAL A 84 12.459 -2.044 7.339 1.00 42.33 C ATOM 1197 CG1 VAL A 84 13.108 -0.699 7.631 1.00 71.24 C ATOM 1198 CG2 VAL A 84 13.404 -2.942 6.554 1.00 10.34 C ATOM 0 H VAL A 84 10.818 -4.331 8.030 1.00 12.52 H new ATOM 0 HA VAL A 84 12.844 -2.678 9.364 1.00 21.33 H new ATOM 0 HB VAL A 84 11.572 -1.868 6.730 1.00 42.33 H new ATOM 0 HG11 VAL A 84 13.408 -0.229 6.695 1.00 71.24 H new ATOM 0 HG12 VAL A 84 12.396 -0.056 8.148 1.00 71.24 H new ATOM 0 HG13 VAL A 84 13.986 -0.847 8.260 1.00 71.24 H new ATOM 0 HG21 VAL A 84 13.700 -2.441 5.632 1.00 10.34 H new ATOM 0 HG22 VAL A 84 14.289 -3.151 7.154 1.00 10.34 H new ATOM 0 HG23 VAL A 84 12.900 -3.878 6.312 1.00 10.34 H new ATOM 1208 N MET A 85 11.012 -1.314 10.334 1.00 32.44 N ATOM 1209 CA MET A 85 9.934 -0.571 10.977 1.00 42.13 C ATOM 1210 C MET A 85 10.378 0.850 11.311 1.00 30.43 C ATOM 1211 O MET A 85 11.365 1.051 12.019 1.00 23.42 O ATOM 1212 CB MET A 85 9.478 -1.288 12.249 1.00 65.31 C ATOM 1213 CG MET A 85 7.991 -1.145 12.528 1.00 41.22 C ATOM 1214 SD MET A 85 7.591 0.386 13.392 1.00 0.12 S ATOM 1215 CE MET A 85 6.095 0.876 12.538 1.00 50.21 C ATOM 0 H MET A 85 11.909 -1.257 10.815 1.00 32.44 H new ATOM 0 HA MET A 85 9.097 -0.518 10.280 1.00 42.13 H new ATOM 0 HB2 MET A 85 9.724 -2.347 12.167 1.00 65.31 H new ATOM 0 HB3 MET A 85 10.038 -0.896 13.098 1.00 65.31 H new ATOM 0 HG2 MET A 85 7.444 -1.180 11.586 1.00 41.22 H new ATOM 0 HG3 MET A 85 7.654 -1.993 13.124 1.00 41.22 H new ATOM 0 HE1 MET A 85 5.724 1.810 12.960 1.00 50.21 H new ATOM 0 HE2 MET A 85 6.310 1.017 11.479 1.00 50.21 H new ATOM 0 HE3 MET A 85 5.339 0.100 12.654 1.00 50.21 H new ATOM 1225 N ILE A 86 9.643 1.831 10.798 1.00 23.40 N ATOM 1226 CA ILE A 86 9.962 3.232 11.044 1.00 73.43 C ATOM 1227 C ILE A 86 8.908 3.888 11.929 1.00 74.13 C ATOM 1228 O ILE A 86 7.718 3.875 11.611 1.00 21.51 O ATOM 1229 CB ILE A 86 10.075 4.022 9.727 1.00 41.40 C ATOM 1230 CG1 ILE A 86 10.973 3.279 8.736 1.00 41.21 C ATOM 1231 CG2 ILE A 86 10.614 5.420 9.993 1.00 10.03 C ATOM 1232 CD1 ILE A 86 12.434 3.276 9.129 1.00 52.32 C ATOM 0 H ILE A 86 8.823 1.682 10.210 1.00 23.40 H new ATOM 0 HA ILE A 86 10.925 3.252 11.554 1.00 73.43 H new ATOM 0 HB ILE A 86 9.081 4.114 9.289 1.00 41.40 H new ATOM 0 HG12 ILE A 86 10.627 2.249 8.646 1.00 41.21 H new ATOM 0 HG13 ILE A 86 10.871 3.736 7.752 1.00 41.21 H new ATOM 0 HG21 ILE A 86 10.688 5.966 9.053 1.00 10.03 H new ATOM 0 HG22 ILE A 86 9.939 5.948 10.667 1.00 10.03 H new ATOM 0 HG23 ILE A 86 11.601 5.349 10.450 1.00 10.03 H new ATOM 0 HD11 ILE A 86 13.011 2.732 8.381 1.00 52.32 H new ATOM 0 HD12 ILE A 86 12.796 4.302 9.191 1.00 52.32 H new ATOM 0 HD13 ILE A 86 12.549 2.792 10.099 1.00 52.32 H new ATOM 1244 N LYS A 87 9.352 4.464 13.041 1.00 71.04 N ATOM 1245 CA LYS A 87 8.448 5.129 13.972 1.00 45.42 C ATOM 1246 C LYS A 87 8.594 6.645 13.882 1.00 3.12 C ATOM 1247 O LYS A 87 9.689 7.161 13.659 1.00 74.11 O ATOM 1248 CB LYS A 87 8.725 4.664 15.403 1.00 35.51 C ATOM 1249 CG LYS A 87 7.593 3.851 16.007 1.00 35.32 C ATOM 1250 CD LYS A 87 6.500 4.746 16.567 1.00 50.11 C ATOM 1251 CE LYS A 87 5.116 4.210 16.236 1.00 73.12 C ATOM 1252 NZ LYS A 87 4.484 3.543 17.408 1.00 41.11 N ATOM 0 H LYS A 87 10.333 4.484 13.320 1.00 71.04 H new ATOM 0 HA LYS A 87 7.426 4.863 13.701 1.00 45.42 H new ATOM 0 HB2 LYS A 87 9.636 4.066 15.412 1.00 35.51 H new ATOM 0 HB3 LYS A 87 8.910 5.536 16.030 1.00 35.51 H new ATOM 0 HG2 LYS A 87 7.172 3.192 15.248 1.00 35.32 H new ATOM 0 HG3 LYS A 87 7.984 3.214 16.800 1.00 35.32 H new ATOM 0 HD2 LYS A 87 6.612 4.825 17.648 1.00 50.11 H new ATOM 0 HD3 LYS A 87 6.608 5.752 16.161 1.00 50.11 H new ATOM 0 HE2 LYS A 87 4.481 5.029 15.898 1.00 73.12 H new ATOM 0 HE3 LYS A 87 5.189 3.502 15.411 1.00 73.12 H new ATOM 0 HZ1 LYS A 87 3.542 3.192 17.141 1.00 41.11 H new ATOM 0 HZ2 LYS A 87 5.077 2.746 17.715 1.00 41.11 H new ATOM 0 HZ3 LYS A 87 4.391 4.225 18.187 1.00 41.11 H new ATOM 1266 N GLY A 88 7.483 7.354 14.059 1.00 22.33 N ATOM 1267 CA GLY A 88 7.510 8.803 13.996 1.00 51.31 C ATOM 1268 C GLY A 88 7.119 9.448 15.311 1.00 55.44 C ATOM 1269 O GLY A 88 6.209 8.978 15.995 1.00 62.25 O ATOM 0 H GLY A 88 6.565 6.950 14.245 1.00 22.33 H new ATOM 0 HA2 GLY A 88 8.511 9.133 13.716 1.00 51.31 H new ATOM 0 HA3 GLY A 88 6.832 9.142 13.213 1.00 51.31 H new ATOM 1273 N TYR A 89 7.807 10.527 15.666 1.00 12.32 N ATOM 1274 CA TYR A 89 7.529 11.236 16.910 1.00 30.40 C ATOM 1275 C TYR A 89 6.714 12.498 16.648 1.00 51.34 C ATOM 1276 O TYR A 89 6.009 12.990 17.529 1.00 41.12 O ATOM 1277 CB TYR A 89 8.836 11.597 17.619 1.00 75.43 C ATOM 1278 CG TYR A 89 8.749 11.515 19.126 1.00 4.10 C ATOM 1279 CD1 TYR A 89 8.093 12.497 19.858 1.00 41.31 C ATOM 1280 CD2 TYR A 89 9.325 10.457 19.818 1.00 32.05 C ATOM 1281 CE1 TYR A 89 8.012 12.427 21.235 1.00 4.53 C ATOM 1282 CE2 TYR A 89 9.248 10.378 21.195 1.00 13.34 C ATOM 1283 CZ TYR A 89 8.591 11.366 21.899 1.00 32.14 C ATOM 1284 OH TYR A 89 8.513 11.292 23.271 1.00 21.13 O ATOM 0 H TYR A 89 8.561 10.930 15.110 1.00 12.32 H new ATOM 0 HA TYR A 89 6.946 10.576 17.552 1.00 30.40 H new ATOM 0 HB2 TYR A 89 9.624 10.929 17.272 1.00 75.43 H new ATOM 0 HB3 TYR A 89 9.127 12.608 17.335 1.00 75.43 H new ATOM 0 HD1 TYR A 89 7.639 13.329 19.341 1.00 41.31 H new ATOM 0 HD2 TYR A 89 9.842 9.683 19.270 1.00 32.05 H new ATOM 0 HE1 TYR A 89 7.498 13.199 21.789 1.00 4.53 H new ATOM 0 HE2 TYR A 89 9.700 9.548 21.717 1.00 13.34 H new ATOM 0 HH TYR A 89 8.971 10.483 23.582 1.00 21.13 H new ATOM 1294 N SER A 90 6.816 13.018 15.428 1.00 33.42 N ATOM 1295 CA SER A 90 6.091 14.225 15.049 1.00 62.24 C ATOM 1296 C SER A 90 6.278 14.527 13.565 1.00 64.21 C ATOM 1297 O SER A 90 7.375 14.385 13.025 1.00 33.21 O ATOM 1298 CB SER A 90 6.565 15.414 15.886 1.00 12.05 C ATOM 1299 OG SER A 90 7.876 15.807 15.519 1.00 31.21 O ATOM 0 H SER A 90 7.393 12.622 14.686 1.00 33.42 H new ATOM 0 HA SER A 90 5.031 14.057 15.238 1.00 62.24 H new ATOM 0 HB2 SER A 90 5.880 16.252 15.753 1.00 12.05 H new ATOM 0 HB3 SER A 90 6.544 15.150 16.943 1.00 12.05 H new ATOM 0 HG SER A 90 8.478 15.037 15.583 1.00 31.21 H new ATOM 1305 N ASN A 91 5.199 14.944 12.912 1.00 52.23 N ATOM 1306 CA ASN A 91 5.243 15.266 11.490 1.00 53.11 C ATOM 1307 C ASN A 91 6.613 15.810 11.097 1.00 20.22 C ATOM 1308 O ASN A 91 6.961 16.944 11.428 1.00 33.30 O ATOM 1309 CB ASN A 91 4.158 16.288 11.143 1.00 32.24 C ATOM 1310 CG ASN A 91 4.165 17.479 12.082 1.00 54.23 C ATOM 1311 OD1 ASN A 91 3.685 17.396 13.212 1.00 30.44 O ATOM 1312 ND2 ASN A 91 4.710 18.596 11.615 1.00 10.51 N ATOM 0 H ASN A 91 4.283 15.067 13.344 1.00 52.23 H new ATOM 0 HA ASN A 91 5.062 14.349 10.930 1.00 53.11 H new ATOM 0 HB2 ASN A 91 4.303 16.635 10.120 1.00 32.24 H new ATOM 0 HB3 ASN A 91 3.182 15.805 11.181 1.00 32.24 H new ATOM 0 HD21 ASN A 91 4.743 19.431 12.200 1.00 10.51 H new ATOM 0 HD22 ASN A 91 5.096 18.619 10.671 1.00 10.51 H new ATOM 1319 N TYR A 92 7.386 14.994 10.390 1.00 64.23 N ATOM 1320 CA TYR A 92 8.719 15.392 9.953 1.00 24.41 C ATOM 1321 C TYR A 92 9.222 14.480 8.838 1.00 22.10 C ATOM 1322 O TYR A 92 9.515 13.306 9.065 1.00 0.02 O ATOM 1323 CB TYR A 92 9.695 15.361 11.131 1.00 50.01 C ATOM 1324 CG TYR A 92 10.768 16.423 11.056 1.00 42.40 C ATOM 1325 CD1 TYR A 92 11.825 16.309 10.162 1.00 65.54 C ATOM 1326 CD2 TYR A 92 10.726 17.541 11.880 1.00 52.32 C ATOM 1327 CE1 TYR A 92 12.809 17.276 10.090 1.00 52.20 C ATOM 1328 CE2 TYR A 92 11.704 18.515 11.814 1.00 31.41 C ATOM 1329 CZ TYR A 92 12.743 18.378 10.918 1.00 63.52 C ATOM 1330 OH TYR A 92 13.720 19.344 10.850 1.00 3.23 O ATOM 0 H TYR A 92 7.113 14.053 10.107 1.00 64.23 H new ATOM 0 HA TYR A 92 8.658 16.409 9.566 1.00 24.41 H new ATOM 0 HB2 TYR A 92 9.136 15.486 12.058 1.00 50.01 H new ATOM 0 HB3 TYR A 92 10.169 14.380 11.174 1.00 50.01 H new ATOM 0 HD1 TYR A 92 11.879 15.449 9.511 1.00 65.54 H new ATOM 0 HD2 TYR A 92 9.915 17.651 12.584 1.00 52.32 H new ATOM 0 HE1 TYR A 92 13.625 17.170 9.390 1.00 52.20 H new ATOM 0 HE2 TYR A 92 11.655 19.379 12.461 1.00 31.41 H new ATOM 0 HH TYR A 92 13.525 20.053 11.498 1.00 3.23 H new ATOM 1340 N SER A 93 9.320 15.030 7.632 1.00 61.21 N ATOM 1341 CA SER A 93 9.784 14.267 6.479 1.00 23.33 C ATOM 1342 C SER A 93 11.079 14.853 5.925 1.00 2.22 C ATOM 1343 O SER A 93 11.397 16.018 6.161 1.00 41.00 O ATOM 1344 CB SER A 93 8.712 14.248 5.388 1.00 20.52 C ATOM 1345 OG SER A 93 8.165 15.539 5.188 1.00 13.33 O ATOM 0 H SER A 93 9.084 16.001 7.428 1.00 61.21 H new ATOM 0 HA SER A 93 9.978 13.245 6.805 1.00 23.33 H new ATOM 0 HB2 SER A 93 9.144 13.884 4.456 1.00 20.52 H new ATOM 0 HB3 SER A 93 7.919 13.553 5.665 1.00 20.52 H new ATOM 0 HG SER A 93 7.484 15.500 4.485 1.00 13.33 H new ATOM 1351 N GLY A 94 11.823 14.036 5.186 1.00 25.34 N ATOM 1352 CA GLY A 94 13.075 14.490 4.610 1.00 64.10 C ATOM 1353 C GLY A 94 14.255 13.642 5.043 1.00 33.41 C ATOM 1354 O GLY A 94 15.393 14.110 5.058 1.00 63.52 O ATOM 0 H GLY A 94 11.581 13.068 4.976 1.00 25.34 H new ATOM 0 HA2 GLY A 94 12.999 14.472 3.523 1.00 64.10 H new ATOM 0 HA3 GLY A 94 13.250 15.526 4.900 1.00 64.10 H new ATOM 1358 N VAL A 95 13.983 12.390 5.399 1.00 55.02 N ATOM 1359 CA VAL A 95 15.030 11.474 5.835 1.00 12.42 C ATOM 1360 C VAL A 95 15.231 10.348 4.827 1.00 15.42 C ATOM 1361 O VAL A 95 14.283 9.905 4.177 1.00 42.43 O ATOM 1362 CB VAL A 95 14.704 10.864 7.212 1.00 44.44 C ATOM 1363 CG1 VAL A 95 15.957 10.278 7.846 1.00 55.24 C ATOM 1364 CG2 VAL A 95 14.075 11.909 8.121 1.00 20.33 C ATOM 0 H VAL A 95 13.046 11.987 5.394 1.00 55.02 H new ATOM 0 HA VAL A 95 15.948 12.056 5.912 1.00 12.42 H new ATOM 0 HB VAL A 95 13.985 10.057 7.072 1.00 44.44 H new ATOM 0 HG11 VAL A 95 15.708 9.852 8.818 1.00 55.24 H new ATOM 0 HG12 VAL A 95 16.361 9.498 7.200 1.00 55.24 H new ATOM 0 HG13 VAL A 95 16.701 11.064 7.975 1.00 55.24 H new ATOM 0 HG21 VAL A 95 13.851 11.462 9.089 1.00 20.33 H new ATOM 0 HG22 VAL A 95 14.769 12.739 8.256 1.00 20.33 H new ATOM 0 HG23 VAL A 95 13.154 12.277 7.669 1.00 20.33 H new ATOM 1374 N THR A 96 16.471 9.888 4.702 1.00 63.30 N ATOM 1375 CA THR A 96 16.798 8.813 3.773 1.00 54.43 C ATOM 1376 C THR A 96 17.023 7.498 4.510 1.00 43.41 C ATOM 1377 O THR A 96 17.980 7.359 5.273 1.00 63.32 O ATOM 1378 CB THR A 96 18.054 9.148 2.946 1.00 33.42 C ATOM 1379 OG1 THR A 96 18.309 10.556 2.991 1.00 61.11 O ATOM 1380 CG2 THR A 96 17.885 8.703 1.501 1.00 14.41 C ATOM 0 H THR A 96 17.266 10.243 5.233 1.00 63.30 H new ATOM 0 HA THR A 96 15.947 8.707 3.100 1.00 54.43 H new ATOM 0 HB THR A 96 18.900 8.613 3.377 1.00 33.42 H new ATOM 0 HG1 THR A 96 19.110 10.760 2.464 1.00 61.11 H new ATOM 0 HG21 THR A 96 18.784 8.950 0.937 1.00 14.41 H new ATOM 0 HG22 THR A 96 17.721 7.626 1.469 1.00 14.41 H new ATOM 0 HG23 THR A 96 17.029 9.214 1.061 1.00 14.41 H new ATOM 1388 N LEU A 97 16.138 6.536 4.278 1.00 72.24 N ATOM 1389 CA LEU A 97 16.241 5.230 4.920 1.00 70.03 C ATOM 1390 C LEU A 97 16.861 4.206 3.975 1.00 64.04 C ATOM 1391 O LEU A 97 16.579 4.199 2.776 1.00 14.43 O ATOM 1392 CB LEU A 97 14.860 4.752 5.373 1.00 64.13 C ATOM 1393 CG LEU A 97 14.783 3.314 5.887 1.00 4.01 C ATOM 1394 CD1 LEU A 97 15.124 3.258 7.368 1.00 31.02 C ATOM 1395 CD2 LEU A 97 13.401 2.730 5.633 1.00 2.13 C ATOM 0 H LEU A 97 15.340 6.635 3.650 1.00 72.24 H new ATOM 0 HA LEU A 97 16.888 5.331 5.792 1.00 70.03 H new ATOM 0 HB2 LEU A 97 14.508 5.418 6.161 1.00 64.13 H new ATOM 0 HB3 LEU A 97 14.169 4.855 4.536 1.00 64.13 H new ATOM 0 HG LEU A 97 15.514 2.714 5.344 1.00 4.01 H new ATOM 0 HD11 LEU A 97 15.064 2.227 7.716 1.00 31.02 H new ATOM 0 HD12 LEU A 97 16.135 3.635 7.523 1.00 31.02 H new ATOM 0 HD13 LEU A 97 14.418 3.872 7.927 1.00 31.02 H new ATOM 0 HD21 LEU A 97 13.365 1.706 6.005 1.00 2.13 H new ATOM 0 HD22 LEU A 97 12.652 3.331 6.149 1.00 2.13 H new ATOM 0 HD23 LEU A 97 13.195 2.734 4.563 1.00 2.13 H new ATOM 1407 N LYS A 98 17.707 3.340 4.522 1.00 64.22 N ATOM 1408 CA LYS A 98 18.366 2.308 3.730 1.00 51.04 C ATOM 1409 C LYS A 98 18.686 1.086 4.585 1.00 14.31 C ATOM 1410 O LYS A 98 18.563 1.124 5.810 1.00 1.32 O ATOM 1411 CB LYS A 98 19.651 2.857 3.106 1.00 51.41 C ATOM 1412 CG LYS A 98 20.191 2.002 1.973 1.00 52.45 C ATOM 1413 CD LYS A 98 20.734 2.857 0.839 1.00 20.35 C ATOM 1414 CE LYS A 98 21.659 3.948 1.358 1.00 74.42 C ATOM 1415 NZ LYS A 98 22.847 4.131 0.480 1.00 62.23 N ATOM 0 H LYS A 98 17.953 3.332 5.512 1.00 64.22 H new ATOM 0 HA LYS A 98 17.684 2.005 2.936 1.00 51.04 H new ATOM 0 HB2 LYS A 98 19.462 3.863 2.732 1.00 51.41 H new ATOM 0 HB3 LYS A 98 20.413 2.942 3.880 1.00 51.41 H new ATOM 0 HG2 LYS A 98 20.981 1.353 2.351 1.00 52.45 H new ATOM 0 HG3 LYS A 98 19.399 1.355 1.595 1.00 52.45 H new ATOM 0 HD2 LYS A 98 21.274 2.226 0.133 1.00 20.35 H new ATOM 0 HD3 LYS A 98 19.906 3.310 0.294 1.00 20.35 H new ATOM 0 HE2 LYS A 98 21.110 4.887 1.427 1.00 74.42 H new ATOM 0 HE3 LYS A 98 21.988 3.696 2.366 1.00 74.42 H new ATOM 0 HZ1 LYS A 98 23.452 4.883 0.867 1.00 62.23 H new ATOM 0 HZ2 LYS A 98 23.385 3.242 0.434 1.00 62.23 H new ATOM 0 HZ3 LYS A 98 22.535 4.396 -0.476 1.00 62.23 H new ATOM 1429 N LEU A 99 19.097 0.004 3.933 1.00 11.50 N ATOM 1430 CA LEU A 99 19.436 -1.229 4.634 1.00 0.14 C ATOM 1431 C LEU A 99 20.909 -1.243 5.029 1.00 64.41 C ATOM 1432 O LEU A 99 21.761 -0.736 4.300 1.00 63.31 O ATOM 1433 CB LEU A 99 19.119 -2.441 3.757 1.00 22.32 C ATOM 1434 CG LEU A 99 20.312 -3.312 3.360 1.00 74.04 C ATOM 1435 CD1 LEU A 99 19.852 -4.719 3.011 1.00 63.21 C ATOM 1436 CD2 LEU A 99 21.061 -2.689 2.191 1.00 51.31 C ATOM 0 H LEU A 99 19.204 -0.044 2.920 1.00 11.50 H new ATOM 0 HA LEU A 99 18.835 -1.279 5.542 1.00 0.14 H new ATOM 0 HB2 LEU A 99 18.397 -3.066 4.283 1.00 22.32 H new ATOM 0 HB3 LEU A 99 18.633 -2.089 2.847 1.00 22.32 H new ATOM 0 HG LEU A 99 20.992 -3.374 4.210 1.00 74.04 H new ATOM 0 HD11 LEU A 99 20.714 -5.325 2.731 1.00 63.21 H new ATOM 0 HD12 LEU A 99 19.360 -5.166 3.875 1.00 63.21 H new ATOM 0 HD13 LEU A 99 19.152 -4.676 2.177 1.00 63.21 H new ATOM 0 HD21 LEU A 99 21.907 -3.322 1.922 1.00 51.31 H new ATOM 0 HD22 LEU A 99 20.390 -2.597 1.337 1.00 51.31 H new ATOM 0 HD23 LEU A 99 21.423 -1.701 2.476 1.00 51.31 H new ATOM 1448 N GLN A 100 21.201 -1.830 6.186 1.00 42.44 N ATOM 1449 CA GLN A 100 22.572 -1.911 6.675 1.00 21.35 C ATOM 1450 C GLN A 100 23.115 -3.330 6.539 1.00 44.34 C ATOM 1451 O GLN A 100 22.801 -4.206 7.344 1.00 33.21 O ATOM 1452 CB GLN A 100 22.641 -1.465 8.137 1.00 43.31 C ATOM 1453 CG GLN A 100 21.549 -2.063 9.008 1.00 31.33 C ATOM 1454 CD GLN A 100 20.239 -1.308 8.903 1.00 10.44 C ATOM 1455 OE1 GLN A 100 19.197 -1.888 8.597 1.00 10.21 O ATOM 1456 NE2 GLN A 100 20.285 -0.005 9.158 1.00 34.10 N ATOM 0 H GLN A 100 20.507 -2.256 6.801 1.00 42.44 H new ATOM 0 HA GLN A 100 23.187 -1.246 6.069 1.00 21.35 H new ATOM 0 HB2 GLN A 100 23.613 -1.741 8.547 1.00 43.31 H new ATOM 0 HB3 GLN A 100 22.574 -0.378 8.180 1.00 43.31 H new ATOM 0 HG2 GLN A 100 21.389 -3.102 8.721 1.00 31.33 H new ATOM 0 HG3 GLN A 100 21.879 -2.067 10.047 1.00 31.33 H new ATOM 0 HE21 GLN A 100 21.171 0.435 9.408 1.00 34.10 H new ATOM 0 HE22 GLN A 100 19.435 0.556 9.104 1.00 34.10 H new ATOM 1465 N TYR A 101 23.932 -3.549 5.514 1.00 1.32 N ATOM 1466 CA TYR A 101 24.517 -4.862 5.270 1.00 1.21 C ATOM 1467 C TYR A 101 25.596 -5.178 6.301 1.00 1.34 C ATOM 1468 O TYR A 101 26.117 -6.291 6.347 1.00 3.45 O ATOM 1469 CB TYR A 101 25.108 -4.926 3.861 1.00 44.11 C ATOM 1470 CG TYR A 101 24.292 -5.759 2.899 1.00 53.11 C ATOM 1471 CD1 TYR A 101 24.482 -7.132 2.804 1.00 44.05 C ATOM 1472 CD2 TYR A 101 23.330 -5.173 2.085 1.00 64.12 C ATOM 1473 CE1 TYR A 101 23.739 -7.897 1.926 1.00 62.14 C ATOM 1474 CE2 TYR A 101 22.582 -5.930 1.205 1.00 35.51 C ATOM 1475 CZ TYR A 101 22.790 -7.292 1.129 1.00 53.20 C ATOM 1476 OH TYR A 101 22.047 -8.050 0.253 1.00 52.41 O ATOM 0 H TYR A 101 24.204 -2.834 4.839 1.00 1.32 H new ATOM 0 HA TYR A 101 23.726 -5.606 5.359 1.00 1.21 H new ATOM 0 HB2 TYR A 101 25.196 -3.914 3.467 1.00 44.11 H new ATOM 0 HB3 TYR A 101 26.117 -5.335 3.917 1.00 44.11 H new ATOM 0 HD1 TYR A 101 25.223 -7.609 3.427 1.00 44.05 H new ATOM 0 HD2 TYR A 101 23.165 -4.107 2.142 1.00 64.12 H new ATOM 0 HE1 TYR A 101 23.900 -8.963 1.864 1.00 62.14 H new ATOM 0 HE2 TYR A 101 21.838 -5.459 0.580 1.00 35.51 H new ATOM 0 HH TYR A 101 21.423 -7.471 -0.233 1.00 52.41 H new