USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 958 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 45 TYR OH : rot -27:sc= 0.00495 USER MOD Set 1.2: A 51 ASN : amide:sc= -1.96 K(o=-2,f=-3.4) USER MOD Set 2.1: A 27 ASN : amide:sc= -1.6 K(o=-2.7,f=1.2) USER MOD Set 2.2: A 31 SER OG : rot 140:sc= 0.0397 USER MOD Set 2.3: A 32 GLN : amide:sc= -1.1 K(o=-2.7,f=1.2) USER MOD Set 3.1: A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 2 SER OG : rot 63:sc= -0.903 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.29) USER MOD Single : A 4 ASN : amide:sc= 0.0847 K(o=0.085,f=-2.6!) USER MOD Single : A 6 GLN : amide:sc= -1.31 K(o=-1.3,f=-2.8) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 146:sc= -4.04 (180deg=-8.08!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0801 X(o=-0.08,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.446 K(o=-0.45,f=-1.5!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -65:sc= -4.05! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.33 USER MOD Single : A 53 CYS SG : rot 129:sc= -0.239 USER MOD Single : A 57 THR OG1 : rot -113:sc= 1.03 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0266 X(o=-0.027,f=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -78:sc= 1.11 USER MOD Single : A 77 LYS NZ :NH3+ -114:sc= -0.163 (180deg=-3.68!) USER MOD Single : A 83 MET CE :methyl -155:sc= -5.85! (180deg=-9.37!) USER MOD Single : A 85 ASN : amide:sc= -1.38 X(o=-1.4,f=-0.93) USER MOD Single : A 86 ASN : amide:sc= -1.19 X(o=-1.2,f=-1.2) USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc=-0.00934 X(o=-0.0093,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 172:sc= 0.0139 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot -142:sc= -0.857 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -3.12! C(o=-3.1!,f=-6.6!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.822 1.651 -3.343 1.00 31.23 N ATOM 2 CA MET A 1 1.202 0.788 -2.230 1.00 13.32 C ATOM 3 C MET A 1 2.558 1.196 -1.664 1.00 45.14 C ATOM 4 O MET A 1 3.572 0.552 -1.933 1.00 23.53 O ATOM 5 CB MET A 1 1.242 -0.673 -2.680 1.00 62.21 C ATOM 6 CG MET A 1 1.180 -1.665 -1.530 1.00 72.31 C ATOM 7 SD MET A 1 -0.210 -2.805 -1.671 1.00 20.40 S ATOM 8 CE MET A 1 -0.180 -3.577 -0.055 1.00 22.30 C ATOM 0 H1 MET A 1 -0.104 1.354 -3.712 1.00 31.23 H new ATOM 0 H2 MET A 1 0.764 2.636 -3.015 1.00 31.23 H new ATOM 0 H3 MET A 1 1.534 1.579 -4.097 1.00 31.23 H new ATOM 0 HA MET A 1 0.453 0.898 -1.446 1.00 13.32 H new ATOM 0 HB2 MET A 1 0.407 -0.860 -3.355 1.00 62.21 H new ATOM 0 HB3 MET A 1 2.156 -0.845 -3.248 1.00 62.21 H new ATOM 0 HG2 MET A 1 2.109 -2.234 -1.495 1.00 72.31 H new ATOM 0 HG3 MET A 1 1.104 -1.120 -0.589 1.00 72.31 H new ATOM 0 HE1 MET A 1 -0.984 -4.310 0.013 1.00 22.30 H new ATOM 0 HE2 MET A 1 0.778 -4.075 0.093 1.00 22.30 H new ATOM 0 HE3 MET A 1 -0.316 -2.817 0.714 1.00 22.30 H new ATOM 18 N SER A 2 2.570 2.270 -0.881 1.00 52.03 N ATOM 19 CA SER A 2 3.803 2.766 -0.282 1.00 21.14 C ATOM 20 C SER A 2 3.502 3.754 0.841 1.00 21.12 C ATOM 21 O SER A 2 2.350 3.927 1.237 1.00 52.01 O ATOM 22 CB SER A 2 4.679 3.434 -1.343 1.00 54.24 C ATOM 23 OG SER A 2 4.077 3.356 -2.624 1.00 33.31 O ATOM 0 H SER A 2 1.739 2.813 -0.647 1.00 52.03 H new ATOM 0 HA SER A 2 4.340 1.916 0.139 1.00 21.14 H new ATOM 0 HB2 SER A 2 4.844 4.478 -1.078 1.00 54.24 H new ATOM 0 HB3 SER A 2 5.657 2.953 -1.367 1.00 54.24 H new ATOM 0 HG SER A 2 3.229 3.848 -2.618 1.00 33.31 H new ATOM 29 N GLN A 3 4.547 4.399 1.349 1.00 24.34 N ATOM 30 CA GLN A 3 4.396 5.369 2.427 1.00 34.02 C ATOM 31 C GLN A 3 4.896 6.744 1.997 1.00 60.24 C ATOM 32 O GLN A 3 6.062 6.906 1.638 1.00 14.44 O ATOM 33 CB GLN A 3 5.154 4.904 3.671 1.00 23.33 C ATOM 34 CG GLN A 3 4.380 5.099 4.965 1.00 73.13 C ATOM 35 CD GLN A 3 3.658 6.431 5.017 1.00 1.14 C ATOM 36 OE1 GLN A 3 2.433 6.491 4.909 1.00 41.34 O ATOM 37 NE2 GLN A 3 4.416 7.509 5.185 1.00 34.34 N ATOM 0 H GLN A 3 5.507 4.267 1.031 1.00 24.34 H new ATOM 0 HA GLN A 3 3.335 5.446 2.665 1.00 34.02 H new ATOM 0 HB2 GLN A 3 5.402 3.848 3.561 1.00 23.33 H new ATOM 0 HB3 GLN A 3 6.097 5.448 3.736 1.00 23.33 H new ATOM 0 HG2 GLN A 3 3.655 4.292 5.076 1.00 73.13 H new ATOM 0 HG3 GLN A 3 5.066 5.029 5.809 1.00 73.13 H new ATOM 0 HE21 GLN A 3 5.428 7.413 5.270 1.00 34.34 H new ATOM 0 HE22 GLN A 3 3.986 8.433 5.229 1.00 34.34 H new ATOM 46 N ASN A 4 4.006 7.730 2.034 1.00 42.31 N ATOM 47 CA ASN A 4 4.358 9.092 1.646 1.00 33.34 C ATOM 48 C ASN A 4 5.121 9.796 2.764 1.00 21.42 C ATOM 49 O ASN A 4 4.559 10.610 3.496 1.00 51.50 O ATOM 50 CB ASN A 4 3.098 9.886 1.295 1.00 32.35 C ATOM 51 CG ASN A 4 2.010 9.735 2.341 1.00 54.01 C ATOM 52 OD1 ASN A 4 1.377 8.684 2.447 1.00 13.43 O ATOM 53 ND2 ASN A 4 1.787 10.788 3.119 1.00 70.01 N ATOM 0 H ASN A 4 3.037 7.612 2.328 1.00 42.31 H new ATOM 0 HA ASN A 4 5.002 9.038 0.768 1.00 33.34 H new ATOM 0 HB2 ASN A 4 3.354 10.940 1.190 1.00 32.35 H new ATOM 0 HB3 ASN A 4 2.719 9.552 0.329 1.00 32.35 H new ATOM 0 HD21 ASN A 4 1.067 10.746 3.840 1.00 70.01 H new ATOM 0 HD22 ASN A 4 2.336 11.639 2.995 1.00 70.01 H new ATOM 60 N ARG A 5 6.405 9.475 2.889 1.00 11.52 N ATOM 61 CA ARG A 5 7.245 10.076 3.918 1.00 44.43 C ATOM 62 C ARG A 5 8.723 9.828 3.626 1.00 15.12 C ATOM 63 O ARG A 5 9.433 10.722 3.167 1.00 14.34 O ATOM 64 CB ARG A 5 6.885 9.514 5.294 1.00 53.20 C ATOM 65 CG ARG A 5 7.724 10.086 6.425 1.00 43.04 C ATOM 66 CD ARG A 5 7.458 9.364 7.736 1.00 13.54 C ATOM 67 NE ARG A 5 6.440 10.041 8.536 1.00 4.24 N ATOM 68 CZ ARG A 5 5.991 9.579 9.698 1.00 64.00 C ATOM 69 NH1 ARG A 5 6.468 8.445 10.193 1.00 73.23 N ATOM 70 NH2 ARG A 5 5.064 10.252 10.368 1.00 63.15 N ATOM 0 H ARG A 5 6.886 8.803 2.291 1.00 11.52 H new ATOM 0 HA ARG A 5 7.066 11.151 3.915 1.00 44.43 H new ATOM 0 HB2 ARG A 5 5.833 9.716 5.496 1.00 53.20 H new ATOM 0 HB3 ARG A 5 7.004 8.431 5.277 1.00 53.20 H new ATOM 0 HG2 ARG A 5 8.781 10.005 6.172 1.00 43.04 H new ATOM 0 HG3 ARG A 5 7.504 11.147 6.542 1.00 43.04 H new ATOM 0 HD2 ARG A 5 7.137 8.343 7.529 1.00 13.54 H new ATOM 0 HD3 ARG A 5 8.384 9.297 8.308 1.00 13.54 H new ATOM 0 HE ARG A 5 6.053 10.916 8.183 1.00 4.24 H new ATOM 0 HH11 ARG A 5 7.181 7.925 9.681 1.00 73.23 H new ATOM 0 HH12 ARG A 5 6.122 8.092 11.085 1.00 73.23 H new ATOM 0 HH21 ARG A 5 4.695 11.125 9.991 1.00 63.15 H new ATOM 0 HH22 ARG A 5 4.720 9.896 11.260 1.00 63.15 H new ATOM 84 N GLN A 6 9.177 8.609 3.897 1.00 71.34 N ATOM 85 CA GLN A 6 10.569 8.244 3.664 1.00 24.14 C ATOM 86 C GLN A 6 10.669 6.896 2.957 1.00 15.34 C ATOM 87 O GLN A 6 9.769 6.061 3.062 1.00 64.22 O ATOM 88 CB GLN A 6 11.334 8.196 4.989 1.00 73.04 C ATOM 89 CG GLN A 6 11.319 6.827 5.650 1.00 10.53 C ATOM 90 CD GLN A 6 9.914 6.315 5.899 1.00 22.24 C ATOM 91 OE1 GLN A 6 9.041 7.057 6.350 1.00 71.20 O ATOM 92 NE2 GLN A 6 9.689 5.039 5.607 1.00 54.44 N ATOM 0 H GLN A 6 8.602 7.858 4.278 1.00 71.34 H new ATOM 0 HA GLN A 6 11.014 9.004 3.022 1.00 24.14 H new ATOM 0 HB2 GLN A 6 12.368 8.494 4.813 1.00 73.04 H new ATOM 0 HB3 GLN A 6 10.904 8.926 5.674 1.00 73.04 H new ATOM 0 HG2 GLN A 6 11.854 6.117 5.019 1.00 10.53 H new ATOM 0 HG3 GLN A 6 11.856 6.879 6.597 1.00 10.53 H new ATOM 0 HE21 GLN A 6 10.442 4.460 5.235 1.00 54.44 H new ATOM 0 HE22 GLN A 6 8.763 4.638 5.755 1.00 54.44 H new ATOM 101 N LEU A 7 11.766 6.691 2.238 1.00 70.14 N ATOM 102 CA LEU A 7 11.983 5.444 1.512 1.00 31.12 C ATOM 103 C LEU A 7 13.112 4.636 2.144 1.00 34.42 C ATOM 104 O LEU A 7 14.214 5.145 2.351 1.00 31.22 O ATOM 105 CB LEU A 7 12.307 5.734 0.046 1.00 62.14 C ATOM 106 CG LEU A 7 11.140 5.616 -0.936 1.00 5.23 C ATOM 107 CD1 LEU A 7 10.926 4.166 -1.339 1.00 22.42 C ATOM 108 CD2 LEU A 7 9.872 6.196 -0.328 1.00 34.35 C ATOM 0 H LEU A 7 12.520 7.372 2.142 1.00 70.14 H new ATOM 0 HA LEU A 7 11.066 4.857 1.565 1.00 31.12 H new ATOM 0 HB2 LEU A 7 12.713 6.743 -0.023 1.00 62.14 H new ATOM 0 HB3 LEU A 7 13.095 5.051 -0.273 1.00 62.14 H new ATOM 0 HG LEU A 7 11.384 6.187 -1.832 1.00 5.23 H new ATOM 0 HD11 LEU A 7 10.092 4.102 -2.038 1.00 22.42 H new ATOM 0 HD12 LEU A 7 11.829 3.784 -1.816 1.00 22.42 H new ATOM 0 HD13 LEU A 7 10.704 3.571 -0.453 1.00 22.42 H new ATOM 0 HD21 LEU A 7 9.052 6.104 -1.040 1.00 34.35 H new ATOM 0 HD22 LEU A 7 9.624 5.652 0.584 1.00 34.35 H new ATOM 0 HD23 LEU A 7 10.030 7.248 -0.091 1.00 34.35 H new ATOM 120 N LEU A 8 12.830 3.373 2.447 1.00 43.12 N ATOM 121 CA LEU A 8 13.823 2.492 3.053 1.00 14.33 C ATOM 122 C LEU A 8 15.076 2.406 2.188 1.00 53.32 C ATOM 123 O LEU A 8 16.152 2.849 2.590 1.00 31.32 O ATOM 124 CB LEU A 8 13.235 1.095 3.260 1.00 12.31 C ATOM 125 CG LEU A 8 13.844 0.272 4.396 1.00 41.24 C ATOM 126 CD1 LEU A 8 13.098 -1.043 4.561 1.00 1.35 C ATOM 127 CD2 LEU A 8 15.322 0.020 4.138 1.00 64.24 C ATOM 0 H LEU A 8 11.923 2.936 2.283 1.00 43.12 H new ATOM 0 HA LEU A 8 14.101 2.910 4.021 1.00 14.33 H new ATOM 0 HB2 LEU A 8 12.166 1.196 3.445 1.00 12.31 H new ATOM 0 HB3 LEU A 8 13.347 0.534 2.332 1.00 12.31 H new ATOM 0 HG LEU A 8 13.749 0.839 5.322 1.00 41.24 H new ATOM 0 HD11 LEU A 8 13.545 -1.615 5.374 1.00 1.35 H new ATOM 0 HD12 LEU A 8 12.052 -0.841 4.792 1.00 1.35 H new ATOM 0 HD13 LEU A 8 13.162 -1.616 3.636 1.00 1.35 H new ATOM 0 HD21 LEU A 8 15.739 -0.567 4.956 1.00 64.24 H new ATOM 0 HD22 LEU A 8 15.440 -0.527 3.202 1.00 64.24 H new ATOM 0 HD23 LEU A 8 15.847 0.973 4.070 1.00 64.24 H new ATOM 139 N TYR A 9 14.928 1.836 0.997 1.00 11.22 N ATOM 140 CA TYR A 9 16.048 1.692 0.075 1.00 74.04 C ATOM 141 C TYR A 9 15.602 1.024 -1.223 1.00 21.24 C ATOM 142 O TYR A 9 15.844 -0.161 -1.456 1.00 43.52 O ATOM 143 CB TYR A 9 17.168 0.877 0.723 1.00 71.34 C ATOM 144 CG TYR A 9 18.363 1.708 1.132 1.00 72.00 C ATOM 145 CD1 TYR A 9 19.007 2.532 0.217 1.00 71.32 C ATOM 146 CD2 TYR A 9 18.848 1.669 2.433 1.00 2.11 C ATOM 147 CE1 TYR A 9 20.099 3.292 0.586 1.00 43.50 C ATOM 148 CE2 TYR A 9 19.939 2.427 2.812 1.00 40.55 C ATOM 149 CZ TYR A 9 20.561 3.237 1.884 1.00 3.45 C ATOM 150 OH TYR A 9 21.649 3.993 2.257 1.00 1.31 O ATOM 0 H TYR A 9 14.044 1.466 0.648 1.00 11.22 H new ATOM 0 HA TYR A 9 16.423 2.688 -0.160 1.00 74.04 H new ATOM 0 HB2 TYR A 9 16.773 0.367 1.602 1.00 71.34 H new ATOM 0 HB3 TYR A 9 17.494 0.105 0.026 1.00 71.34 H new ATOM 0 HD1 TYR A 9 18.647 2.579 -0.800 1.00 71.32 H new ATOM 0 HD2 TYR A 9 18.364 1.035 3.161 1.00 2.11 H new ATOM 0 HE1 TYR A 9 20.589 3.926 -0.138 1.00 43.50 H new ATOM 0 HE2 TYR A 9 20.303 2.386 3.828 1.00 40.55 H new ATOM 0 HH TYR A 9 21.844 3.840 3.205 1.00 1.31 H new ATOM 160 N PRO A 10 14.935 1.801 -2.088 1.00 51.24 N ATOM 161 CA PRO A 10 14.442 1.308 -3.378 1.00 31.22 C ATOM 162 C PRO A 10 15.573 1.018 -4.358 1.00 50.05 C ATOM 163 O PRO A 10 16.340 1.911 -4.717 1.00 42.52 O ATOM 164 CB PRO A 10 13.573 2.459 -3.889 1.00 54.32 C ATOM 165 CG PRO A 10 14.123 3.674 -3.224 1.00 74.41 C ATOM 166 CD PRO A 10 14.611 3.222 -1.876 1.00 31.24 C ATOM 0 HA PRO A 10 13.906 0.364 -3.276 1.00 31.22 H new ATOM 0 HB2 PRO A 10 13.626 2.543 -4.974 1.00 54.32 H new ATOM 0 HB3 PRO A 10 12.525 2.308 -3.632 1.00 54.32 H new ATOM 0 HG2 PRO A 10 14.935 4.105 -3.809 1.00 74.41 H new ATOM 0 HG3 PRO A 10 13.358 4.444 -3.124 1.00 74.41 H new ATOM 0 HD2 PRO A 10 15.484 3.789 -1.554 1.00 31.24 H new ATOM 0 HD3 PRO A 10 13.847 3.350 -1.109 1.00 31.24 H new ATOM 174 N ARG A 11 15.670 -0.236 -4.789 1.00 2.42 N ATOM 175 CA ARG A 11 16.709 -0.643 -5.728 1.00 15.32 C ATOM 176 C ARG A 11 16.591 -2.128 -6.057 1.00 44.05 C ATOM 177 O ARG A 11 16.887 -2.550 -7.175 1.00 30.12 O ATOM 178 CB ARG A 11 18.093 -0.345 -5.150 1.00 65.31 C ATOM 179 CG ARG A 11 18.249 -0.761 -3.696 1.00 62.14 C ATOM 180 CD ARG A 11 19.596 -1.421 -3.447 1.00 5.41 C ATOM 181 NE ARG A 11 19.507 -2.492 -2.458 1.00 52.32 N ATOM 182 CZ ARG A 11 20.551 -2.957 -1.782 1.00 62.11 C ATOM 183 NH1 ARG A 11 21.758 -2.448 -1.987 1.00 1.21 N ATOM 184 NH2 ARG A 11 20.389 -3.934 -0.899 1.00 5.24 N ATOM 0 H ARG A 11 15.042 -0.987 -4.503 1.00 2.42 H new ATOM 0 HA ARG A 11 16.577 -0.073 -6.648 1.00 15.32 H new ATOM 0 HB2 ARG A 11 18.846 -0.858 -5.749 1.00 65.31 H new ATOM 0 HB3 ARG A 11 18.291 0.723 -5.237 1.00 65.31 H new ATOM 0 HG2 ARG A 11 18.147 0.113 -3.053 1.00 62.14 H new ATOM 0 HG3 ARG A 11 17.449 -1.451 -3.426 1.00 62.14 H new ATOM 0 HD2 ARG A 11 19.981 -1.824 -4.384 1.00 5.41 H new ATOM 0 HD3 ARG A 11 20.309 -0.671 -3.106 1.00 5.41 H new ATOM 0 HE ARG A 11 18.592 -2.906 -2.277 1.00 52.32 H new ATOM 0 HH11 ARG A 11 21.886 -1.697 -2.665 1.00 1.21 H new ATOM 0 HH12 ARG A 11 22.558 -2.807 -1.466 1.00 1.21 H new ATOM 0 HH21 ARG A 11 19.462 -4.328 -0.739 1.00 5.24 H new ATOM 0 HH22 ARG A 11 21.191 -4.291 -0.380 1.00 5.24 H new ATOM 198 N GLU A 12 16.159 -2.914 -5.077 1.00 31.42 N ATOM 199 CA GLU A 12 16.004 -4.352 -5.263 1.00 65.34 C ATOM 200 C GLU A 12 15.150 -4.653 -6.492 1.00 1.15 C ATOM 201 O GLU A 12 15.297 -5.700 -7.121 1.00 22.13 O ATOM 202 CB GLU A 12 15.373 -4.985 -4.022 1.00 33.22 C ATOM 203 CG GLU A 12 15.686 -6.464 -3.866 1.00 51.21 C ATOM 204 CD GLU A 12 14.956 -7.095 -2.696 1.00 41.31 C ATOM 205 OE1 GLU A 12 15.491 -7.047 -1.569 1.00 23.24 O ATOM 206 OE2 GLU A 12 13.851 -7.636 -2.908 1.00 12.35 O ATOM 0 H GLU A 12 15.910 -2.580 -4.146 1.00 31.42 H new ATOM 0 HA GLU A 12 16.994 -4.781 -5.416 1.00 65.34 H new ATOM 0 HB2 GLU A 12 15.721 -4.453 -3.137 1.00 33.22 H new ATOM 0 HB3 GLU A 12 14.292 -4.854 -4.068 1.00 33.22 H new ATOM 0 HG2 GLU A 12 15.416 -6.987 -4.783 1.00 51.21 H new ATOM 0 HG3 GLU A 12 16.760 -6.592 -3.731 1.00 51.21 H new ATOM 213 N GLU A 13 14.257 -3.726 -6.825 1.00 61.42 N ATOM 214 CA GLU A 13 13.378 -3.893 -7.977 1.00 23.11 C ATOM 215 C GLU A 13 14.053 -3.397 -9.253 1.00 22.15 C ATOM 216 O GLU A 13 13.859 -3.961 -10.329 1.00 44.11 O ATOM 217 CB GLU A 13 12.064 -3.141 -7.757 1.00 21.24 C ATOM 218 CG GLU A 13 12.239 -1.639 -7.611 1.00 4.13 C ATOM 219 CD GLU A 13 10.928 -0.920 -7.360 1.00 31.21 C ATOM 220 OE1 GLU A 13 10.181 -0.691 -8.334 1.00 35.24 O ATOM 221 OE2 GLU A 13 10.649 -0.587 -6.189 1.00 3.10 O ATOM 0 H GLU A 13 14.123 -2.853 -6.314 1.00 61.42 H new ATOM 0 HA GLU A 13 13.166 -4.956 -8.088 1.00 23.11 H new ATOM 0 HB2 GLU A 13 11.396 -3.341 -8.595 1.00 21.24 H new ATOM 0 HB3 GLU A 13 11.578 -3.530 -6.862 1.00 21.24 H new ATOM 0 HG2 GLU A 13 12.924 -1.435 -6.788 1.00 4.13 H new ATOM 0 HG3 GLU A 13 12.700 -1.241 -8.515 1.00 4.13 H new ATOM 228 N MET A 14 14.846 -2.338 -9.122 1.00 74.13 N ATOM 229 CA MET A 14 15.550 -1.766 -10.264 1.00 72.21 C ATOM 230 C MET A 14 16.306 -2.845 -11.033 1.00 34.31 C ATOM 231 O MET A 14 16.247 -2.903 -12.261 1.00 75.12 O ATOM 232 CB MET A 14 16.521 -0.680 -9.799 1.00 42.52 C ATOM 233 CG MET A 14 15.831 0.550 -9.230 1.00 61.42 C ATOM 234 SD MET A 14 15.661 1.874 -10.442 1.00 73.20 S ATOM 235 CE MET A 14 14.324 1.239 -11.452 1.00 24.04 C ATOM 0 H MET A 14 15.017 -1.859 -8.238 1.00 74.13 H new ATOM 0 HA MET A 14 14.810 -1.321 -10.930 1.00 72.21 H new ATOM 0 HB2 MET A 14 17.184 -1.097 -9.041 1.00 42.52 H new ATOM 0 HB3 MET A 14 17.146 -0.379 -10.640 1.00 42.52 H new ATOM 0 HG2 MET A 14 14.844 0.270 -8.862 1.00 61.42 H new ATOM 0 HG3 MET A 14 16.398 0.917 -8.374 1.00 61.42 H new ATOM 0 HE1 MET A 14 13.712 2.068 -11.808 1.00 24.04 H new ATOM 0 HE2 MET A 14 14.737 0.700 -12.305 1.00 24.04 H new ATOM 0 HE3 MET A 14 13.709 0.562 -10.858 1.00 24.04 H new ATOM 245 N VAL A 15 17.016 -3.699 -10.302 1.00 42.41 N ATOM 246 CA VAL A 15 17.783 -4.776 -10.916 1.00 21.35 C ATOM 247 C VAL A 15 16.868 -5.764 -11.630 1.00 31.42 C ATOM 248 O VAL A 15 17.263 -6.395 -12.610 1.00 61.31 O ATOM 249 CB VAL A 15 18.622 -5.534 -9.869 1.00 72.24 C ATOM 250 CG1 VAL A 15 19.665 -4.614 -9.253 1.00 31.50 C ATOM 251 CG2 VAL A 15 17.723 -6.129 -8.796 1.00 70.42 C ATOM 0 H VAL A 15 17.076 -3.666 -9.284 1.00 42.41 H new ATOM 0 HA VAL A 15 18.452 -4.315 -11.643 1.00 21.35 H new ATOM 0 HB VAL A 15 19.143 -6.351 -10.368 1.00 72.24 H new ATOM 0 HG11 VAL A 15 20.248 -5.167 -8.516 1.00 31.50 H new ATOM 0 HG12 VAL A 15 20.328 -4.241 -10.034 1.00 31.50 H new ATOM 0 HG13 VAL A 15 19.168 -3.774 -8.767 1.00 31.50 H new ATOM 0 HG21 VAL A 15 18.332 -6.661 -8.065 1.00 70.42 H new ATOM 0 HG22 VAL A 15 17.173 -5.330 -8.298 1.00 70.42 H new ATOM 0 HG23 VAL A 15 17.019 -6.823 -9.255 1.00 70.42 H new ATOM 261 N SER A 16 15.642 -5.894 -11.132 1.00 42.41 N ATOM 262 CA SER A 16 14.671 -6.808 -11.721 1.00 14.13 C ATOM 263 C SER A 16 14.398 -6.447 -13.178 1.00 11.53 C ATOM 264 O SER A 16 14.460 -7.300 -14.063 1.00 60.25 O ATOM 265 CB SER A 16 13.365 -6.781 -10.924 1.00 10.53 C ATOM 266 OG SER A 16 12.719 -8.041 -10.959 1.00 61.44 O ATOM 0 H SER A 16 15.298 -5.378 -10.322 1.00 42.41 H new ATOM 0 HA SER A 16 15.089 -7.814 -11.687 1.00 14.13 H new ATOM 0 HB2 SER A 16 13.572 -6.504 -9.890 1.00 10.53 H new ATOM 0 HB3 SER A 16 12.702 -6.018 -11.332 1.00 10.53 H new ATOM 0 HG SER A 16 11.888 -7.997 -10.441 1.00 61.44 H new ATOM 272 N LEU A 17 14.096 -5.176 -13.419 1.00 14.44 N ATOM 273 CA LEU A 17 13.813 -4.699 -14.768 1.00 50.11 C ATOM 274 C LEU A 17 14.972 -5.011 -15.710 1.00 11.35 C ATOM 275 O LEU A 17 14.826 -5.784 -16.656 1.00 53.24 O ATOM 276 CB LEU A 17 13.545 -3.193 -14.752 1.00 75.15 C ATOM 277 CG LEU A 17 12.393 -2.726 -13.862 1.00 12.23 C ATOM 278 CD1 LEU A 17 11.348 -3.822 -13.721 1.00 23.12 C ATOM 279 CD2 LEU A 17 12.913 -2.303 -12.495 1.00 71.34 C ATOM 0 H LEU A 17 14.041 -4.457 -12.698 1.00 14.44 H new ATOM 0 HA LEU A 17 12.925 -5.216 -15.131 1.00 50.11 H new ATOM 0 HB2 LEU A 17 14.455 -2.686 -14.431 1.00 75.15 H new ATOM 0 HB3 LEU A 17 13.343 -2.869 -15.773 1.00 75.15 H new ATOM 0 HG LEU A 17 11.922 -1.863 -14.333 1.00 12.23 H new ATOM 0 HD11 LEU A 17 10.536 -3.471 -13.084 1.00 23.12 H new ATOM 0 HD12 LEU A 17 10.953 -4.077 -14.704 1.00 23.12 H new ATOM 0 HD13 LEU A 17 11.805 -4.705 -13.273 1.00 23.12 H new ATOM 0 HD21 LEU A 17 12.079 -1.974 -11.875 1.00 71.34 H new ATOM 0 HD22 LEU A 17 13.409 -3.148 -12.017 1.00 71.34 H new ATOM 0 HD23 LEU A 17 13.623 -1.484 -12.613 1.00 71.34 H new ATOM 291 N VAL A 18 16.125 -4.405 -15.442 1.00 34.23 N ATOM 292 CA VAL A 18 17.310 -4.621 -16.263 1.00 1.53 C ATOM 293 C VAL A 18 17.580 -6.108 -16.458 1.00 65.10 C ATOM 294 O VAL A 18 18.094 -6.525 -17.496 1.00 41.14 O ATOM 295 CB VAL A 18 18.554 -3.962 -15.637 1.00 14.25 C ATOM 296 CG1 VAL A 18 18.847 -4.565 -14.271 1.00 43.13 C ATOM 297 CG2 VAL A 18 19.754 -4.104 -16.561 1.00 14.14 C ATOM 0 H VAL A 18 16.263 -3.761 -14.663 1.00 34.23 H new ATOM 0 HA VAL A 18 17.112 -4.161 -17.231 1.00 1.53 H new ATOM 0 HB VAL A 18 18.352 -2.899 -15.503 1.00 14.25 H new ATOM 0 HG11 VAL A 18 19.729 -4.087 -13.844 1.00 43.13 H new ATOM 0 HG12 VAL A 18 17.993 -4.406 -13.612 1.00 43.13 H new ATOM 0 HG13 VAL A 18 19.029 -5.634 -14.377 1.00 43.13 H new ATOM 0 HG21 VAL A 18 20.624 -3.633 -16.103 1.00 14.14 H new ATOM 0 HG22 VAL A 18 19.960 -5.161 -16.729 1.00 14.14 H new ATOM 0 HG23 VAL A 18 19.539 -3.620 -17.514 1.00 14.14 H new ATOM 307 N ARG A 19 17.231 -6.904 -15.453 1.00 71.41 N ATOM 308 CA ARG A 19 17.436 -8.346 -15.514 1.00 25.51 C ATOM 309 C ARG A 19 16.460 -8.994 -16.491 1.00 71.22 C ATOM 310 O ARG A 19 16.815 -9.925 -17.214 1.00 30.55 O ATOM 311 CB ARG A 19 17.271 -8.966 -14.125 1.00 13.31 C ATOM 312 CG ARG A 19 18.565 -9.036 -13.331 1.00 12.42 C ATOM 313 CD ARG A 19 18.321 -9.521 -11.910 1.00 63.35 C ATOM 314 NE ARG A 19 17.685 -10.835 -11.883 1.00 30.51 N ATOM 315 CZ ARG A 19 17.311 -11.448 -10.765 1.00 4.21 C ATOM 316 NH1 ARG A 19 17.509 -10.867 -9.589 1.00 61.34 N ATOM 317 NH2 ARG A 19 16.738 -12.643 -10.821 1.00 62.24 N ATOM 0 H ARG A 19 16.805 -6.575 -14.587 1.00 71.41 H new ATOM 0 HA ARG A 19 18.451 -8.528 -15.867 1.00 25.51 H new ATOM 0 HB2 ARG A 19 16.540 -8.385 -13.562 1.00 13.31 H new ATOM 0 HB3 ARG A 19 16.865 -9.972 -14.231 1.00 13.31 H new ATOM 0 HG2 ARG A 19 19.264 -9.707 -13.831 1.00 12.42 H new ATOM 0 HG3 ARG A 19 19.031 -8.051 -13.306 1.00 12.42 H new ATOM 0 HD2 ARG A 19 19.269 -9.566 -11.374 1.00 63.35 H new ATOM 0 HD3 ARG A 19 17.692 -8.803 -11.385 1.00 63.35 H new ATOM 0 HE ARG A 19 17.519 -11.308 -12.771 1.00 30.51 H new ATOM 0 HH11 ARG A 19 17.949 -9.948 -9.542 1.00 61.34 H new ATOM 0 HH12 ARG A 19 17.221 -11.339 -8.732 1.00 61.34 H new ATOM 0 HH21 ARG A 19 16.584 -13.093 -11.723 1.00 62.24 H new ATOM 0 HH22 ARG A 19 16.452 -13.112 -9.962 1.00 62.24 H new ATOM 331 N SER A 20 15.228 -8.495 -16.507 1.00 41.22 N ATOM 332 CA SER A 20 14.199 -9.027 -17.392 1.00 71.43 C ATOM 333 C SER A 20 14.600 -8.860 -18.855 1.00 22.23 C ATOM 334 O SER A 20 14.209 -9.653 -19.713 1.00 25.14 O ATOM 335 CB SER A 20 12.863 -8.327 -17.135 1.00 61.40 C ATOM 336 OG SER A 20 12.005 -8.438 -18.257 1.00 41.55 O ATOM 0 H SER A 20 14.918 -7.723 -15.917 1.00 41.22 H new ATOM 0 HA SER A 20 14.090 -10.091 -17.182 1.00 71.43 H new ATOM 0 HB2 SER A 20 12.382 -8.765 -16.261 1.00 61.40 H new ATOM 0 HB3 SER A 20 13.038 -7.275 -16.909 1.00 61.40 H new ATOM 0 HG SER A 20 11.158 -7.984 -18.067 1.00 41.55 H new ATOM 342 N LEU A 21 15.383 -7.823 -19.132 1.00 32.12 N ATOM 343 CA LEU A 21 15.838 -7.550 -20.490 1.00 65.04 C ATOM 344 C LEU A 21 17.304 -7.936 -20.661 1.00 62.32 C ATOM 345 O LEU A 21 18.044 -8.051 -19.684 1.00 2.21 O ATOM 346 CB LEU A 21 15.647 -6.070 -20.826 1.00 11.12 C ATOM 347 CG LEU A 21 16.583 -5.093 -20.112 1.00 73.55 C ATOM 348 CD1 LEU A 21 17.510 -4.417 -21.110 1.00 71.23 C ATOM 349 CD2 LEU A 21 15.782 -4.057 -19.338 1.00 41.31 C ATOM 0 H LEU A 21 15.716 -7.158 -18.434 1.00 32.12 H new ATOM 0 HA LEU A 21 15.240 -8.152 -21.174 1.00 65.04 H new ATOM 0 HB2 LEU A 21 15.773 -5.943 -21.901 1.00 11.12 H new ATOM 0 HB3 LEU A 21 14.619 -5.794 -20.591 1.00 11.12 H new ATOM 0 HG LEU A 21 17.193 -5.654 -19.404 1.00 73.55 H new ATOM 0 HD11 LEU A 21 18.169 -3.726 -20.584 1.00 71.23 H new ATOM 0 HD12 LEU A 21 18.109 -5.172 -21.620 1.00 71.23 H new ATOM 0 HD13 LEU A 21 16.918 -3.868 -21.842 1.00 71.23 H new ATOM 0 HD21 LEU A 21 16.464 -3.370 -18.836 1.00 41.31 H new ATOM 0 HD22 LEU A 21 15.147 -3.499 -20.026 1.00 41.31 H new ATOM 0 HD23 LEU A 21 15.160 -4.558 -18.596 1.00 41.31 H new ATOM 361 N ASP A 22 17.717 -8.134 -21.908 1.00 41.22 N ATOM 362 CA ASP A 22 19.095 -8.504 -22.208 1.00 5.23 C ATOM 363 C ASP A 22 19.298 -8.676 -23.710 1.00 11.50 C ATOM 364 O ASP A 22 19.872 -9.668 -24.159 1.00 51.55 O ATOM 365 CB ASP A 22 19.469 -9.796 -21.479 1.00 50.33 C ATOM 366 CG ASP A 22 20.876 -9.757 -20.917 1.00 64.31 C ATOM 367 OD1 ASP A 22 21.823 -9.542 -21.703 1.00 31.15 O ATOM 368 OD2 ASP A 22 21.032 -9.943 -19.692 1.00 34.23 O ATOM 0 H ASP A 22 17.117 -8.044 -22.728 1.00 41.22 H new ATOM 0 HA ASP A 22 19.744 -7.700 -21.862 1.00 5.23 H new ATOM 0 HB2 ASP A 22 18.762 -9.970 -20.668 1.00 50.33 H new ATOM 0 HB3 ASP A 22 19.379 -10.637 -22.167 1.00 50.33 H new ATOM 373 N ARG A 23 18.822 -7.703 -24.481 1.00 33.40 N ATOM 374 CA ARG A 23 18.948 -7.748 -25.933 1.00 23.33 C ATOM 375 C ARG A 23 19.623 -6.485 -26.459 1.00 3.01 C ATOM 376 O ARG A 23 19.030 -5.695 -27.194 1.00 3.35 O ATOM 377 CB ARG A 23 17.573 -7.912 -26.581 1.00 75.11 C ATOM 378 CG ARG A 23 16.504 -7.015 -25.978 1.00 43.53 C ATOM 379 CD ARG A 23 15.430 -7.825 -25.270 1.00 23.22 C ATOM 380 NE ARG A 23 16.002 -8.827 -24.374 1.00 62.25 N ATOM 381 CZ ARG A 23 15.276 -9.590 -23.565 1.00 53.30 C ATOM 382 NH1 ARG A 23 13.956 -9.465 -23.539 1.00 70.31 N ATOM 383 NH2 ARG A 23 15.869 -10.479 -22.780 1.00 23.44 N ATOM 0 H ARG A 23 18.346 -6.874 -24.124 1.00 33.40 H new ATOM 0 HA ARG A 23 19.568 -8.606 -26.192 1.00 23.33 H new ATOM 0 HB2 ARG A 23 17.655 -7.699 -27.647 1.00 75.11 H new ATOM 0 HB3 ARG A 23 17.258 -8.951 -26.487 1.00 75.11 H new ATOM 0 HG2 ARG A 23 16.964 -6.323 -25.272 1.00 43.53 H new ATOM 0 HG3 ARG A 23 16.048 -6.412 -26.763 1.00 43.53 H new ATOM 0 HD2 ARG A 23 14.787 -7.154 -24.700 1.00 23.22 H new ATOM 0 HD3 ARG A 23 14.800 -8.318 -26.011 1.00 23.22 H new ATOM 0 HE ARG A 23 17.015 -8.947 -24.369 1.00 62.25 H new ATOM 0 HH11 ARG A 23 13.496 -8.782 -24.141 1.00 70.31 H new ATOM 0 HH12 ARG A 23 13.400 -10.052 -22.917 1.00 70.31 H new ATOM 0 HH21 ARG A 23 16.884 -10.578 -22.797 1.00 23.44 H new ATOM 0 HH22 ARG A 23 15.310 -11.064 -22.159 1.00 23.44 H new ATOM 397 N PRO A 24 20.893 -6.288 -26.075 1.00 23.43 N ATOM 398 CA PRO A 24 21.676 -5.123 -26.496 1.00 4.01 C ATOM 399 C PRO A 24 22.029 -5.166 -27.979 1.00 34.52 C ATOM 400 O PRO A 24 23.118 -5.598 -28.354 1.00 63.01 O ATOM 401 CB PRO A 24 22.943 -5.220 -25.642 1.00 43.42 C ATOM 402 CG PRO A 24 23.068 -6.667 -25.312 1.00 44.04 C ATOM 403 CD PRO A 24 21.663 -7.189 -25.200 1.00 33.01 C ATOM 0 HA PRO A 24 21.125 -4.192 -26.362 1.00 4.01 H new ATOM 0 HB2 PRO A 24 23.816 -4.862 -26.187 1.00 43.42 H new ATOM 0 HB3 PRO A 24 22.860 -4.614 -24.740 1.00 43.42 H new ATOM 0 HG2 PRO A 24 23.621 -7.198 -26.087 1.00 44.04 H new ATOM 0 HG3 PRO A 24 23.613 -6.809 -24.378 1.00 44.04 H new ATOM 0 HD2 PRO A 24 21.592 -8.226 -25.529 1.00 33.01 H new ATOM 0 HD3 PRO A 24 21.303 -7.155 -24.172 1.00 33.01 H new ATOM 411 N GLN A 25 21.100 -4.717 -28.816 1.00 51.44 N ATOM 412 CA GLN A 25 21.314 -4.705 -30.259 1.00 12.03 C ATOM 413 C GLN A 25 22.296 -3.607 -30.655 1.00 33.24 C ATOM 414 O GLN A 25 23.275 -3.861 -31.354 1.00 64.34 O ATOM 415 CB GLN A 25 19.986 -4.506 -30.991 1.00 34.01 C ATOM 416 CG GLN A 25 18.884 -5.442 -30.519 1.00 4.43 C ATOM 417 CD GLN A 25 18.174 -6.133 -31.666 1.00 11.42 C ATOM 418 OE1 GLN A 25 16.955 -6.029 -31.809 1.00 43.11 O ATOM 419 NE2 GLN A 25 18.934 -6.843 -32.491 1.00 73.21 N ATOM 0 H GLN A 25 20.192 -4.357 -28.521 1.00 51.44 H new ATOM 0 HA GLN A 25 21.738 -5.667 -30.546 1.00 12.03 H new ATOM 0 HB2 GLN A 25 19.658 -3.475 -30.857 1.00 34.01 H new ATOM 0 HB3 GLN A 25 20.144 -4.654 -32.059 1.00 34.01 H new ATOM 0 HG2 GLN A 25 19.311 -6.194 -29.855 1.00 4.43 H new ATOM 0 HG3 GLN A 25 18.158 -4.877 -29.935 1.00 4.43 H new ATOM 0 HE21 GLN A 25 19.940 -6.902 -32.334 1.00 73.21 H new ATOM 0 HE22 GLN A 25 18.512 -7.330 -33.282 1.00 73.21 H new ATOM 428 N GLU A 26 22.025 -2.387 -30.202 1.00 43.32 N ATOM 429 CA GLU A 26 22.885 -1.250 -30.511 1.00 63.41 C ATOM 430 C GLU A 26 24.133 -1.257 -29.632 1.00 73.30 C ATOM 431 O GLU A 26 25.252 -1.122 -30.124 1.00 1.51 O ATOM 432 CB GLU A 26 22.122 0.062 -30.321 1.00 73.14 C ATOM 433 CG GLU A 26 22.412 1.096 -31.396 1.00 44.00 C ATOM 434 CD GLU A 26 21.537 0.925 -32.623 1.00 24.44 C ATOM 435 OE1 GLU A 26 21.786 -0.019 -33.402 1.00 14.20 O ATOM 436 OE2 GLU A 26 20.604 1.735 -32.802 1.00 71.55 O ATOM 0 H GLU A 26 21.218 -2.161 -29.621 1.00 43.32 H new ATOM 0 HA GLU A 26 23.194 -1.334 -31.553 1.00 63.41 H new ATOM 0 HB2 GLU A 26 21.052 -0.148 -30.310 1.00 73.14 H new ATOM 0 HB3 GLU A 26 22.375 0.482 -29.347 1.00 73.14 H new ATOM 0 HG2 GLU A 26 22.262 2.094 -30.984 1.00 44.00 H new ATOM 0 HG3 GLU A 26 23.460 1.026 -31.689 1.00 44.00 H new ATOM 443 N ASN A 27 23.930 -1.416 -28.328 1.00 73.02 N ATOM 444 CA ASN A 27 25.037 -1.440 -27.379 1.00 41.45 C ATOM 445 C ASN A 27 25.928 -0.213 -27.553 1.00 21.31 C ATOM 446 O ASN A 27 27.154 -0.314 -27.522 1.00 72.10 O ATOM 447 CB ASN A 27 25.864 -2.714 -27.560 1.00 71.24 C ATOM 448 CG ASN A 27 26.738 -3.012 -26.357 1.00 72.13 C ATOM 449 OD1 ASN A 27 27.936 -2.730 -26.361 1.00 41.05 O ATOM 450 ND2 ASN A 27 26.140 -3.586 -25.319 1.00 51.45 N ATOM 0 H ASN A 27 23.009 -1.530 -27.905 1.00 73.02 H new ATOM 0 HA ASN A 27 24.620 -1.426 -26.372 1.00 41.45 H new ATOM 0 HB2 ASN A 27 25.195 -3.556 -27.737 1.00 71.24 H new ATOM 0 HB3 ASN A 27 26.491 -2.614 -28.446 1.00 71.24 H new ATOM 0 HD21 ASN A 27 26.677 -3.811 -24.481 1.00 51.45 H new ATOM 0 HD22 ASN A 27 25.144 -3.802 -25.360 1.00 51.45 H new ATOM 457 N GLY A 28 25.302 0.946 -27.735 1.00 30.41 N ATOM 458 CA GLY A 28 26.053 2.175 -27.910 1.00 30.00 C ATOM 459 C GLY A 28 25.413 3.351 -27.200 1.00 50.51 C ATOM 460 O GLY A 28 26.107 4.199 -26.637 1.00 21.23 O ATOM 0 H GLY A 28 24.288 1.055 -27.764 1.00 30.41 H new ATOM 0 HA2 GLY A 28 27.066 2.035 -27.534 1.00 30.00 H new ATOM 0 HA3 GLY A 28 26.136 2.398 -28.974 1.00 30.00 H new ATOM 464 N LEU A 29 24.086 3.406 -27.227 1.00 50.15 N ATOM 465 CA LEU A 29 23.351 4.489 -26.583 1.00 4.13 C ATOM 466 C LEU A 29 21.873 4.139 -26.446 1.00 61.34 C ATOM 467 O LEU A 29 21.240 4.454 -25.439 1.00 11.13 O ATOM 468 CB LEU A 29 23.509 5.784 -27.381 1.00 13.51 C ATOM 469 CG LEU A 29 22.519 6.902 -27.049 1.00 21.12 C ATOM 470 CD1 LEU A 29 23.203 8.259 -27.119 1.00 73.41 C ATOM 471 CD2 LEU A 29 21.325 6.855 -27.991 1.00 63.33 C ATOM 0 H LEU A 29 23.497 2.713 -27.688 1.00 50.15 H new ATOM 0 HA LEU A 29 23.765 4.632 -25.585 1.00 4.13 H new ATOM 0 HB2 LEU A 29 24.519 6.162 -27.225 1.00 13.51 H new ATOM 0 HB3 LEU A 29 23.417 5.548 -28.441 1.00 13.51 H new ATOM 0 HG LEU A 29 22.159 6.752 -26.031 1.00 21.12 H new ATOM 0 HD11 LEU A 29 22.483 9.042 -26.880 1.00 73.41 H new ATOM 0 HD12 LEU A 29 24.024 8.290 -26.403 1.00 73.41 H new ATOM 0 HD13 LEU A 29 23.592 8.419 -28.124 1.00 73.41 H new ATOM 0 HD21 LEU A 29 20.632 7.658 -27.740 1.00 63.33 H new ATOM 0 HD22 LEU A 29 21.667 6.979 -29.018 1.00 63.33 H new ATOM 0 HD23 LEU A 29 20.820 5.894 -27.891 1.00 63.33 H new ATOM 483 N PHE A 30 21.329 3.483 -27.466 1.00 63.22 N ATOM 484 CA PHE A 30 19.926 3.088 -27.460 1.00 35.10 C ATOM 485 C PHE A 30 19.646 2.092 -26.338 1.00 72.24 C ATOM 486 O PHE A 30 18.507 1.944 -25.895 1.00 2.15 O ATOM 487 CB PHE A 30 19.540 2.476 -28.808 1.00 52.55 C ATOM 488 CG PHE A 30 18.661 1.264 -28.688 1.00 11.54 C ATOM 489 CD1 PHE A 30 19.214 0.004 -28.535 1.00 23.53 C ATOM 490 CD2 PHE A 30 17.281 1.386 -28.728 1.00 2.25 C ATOM 491 CE1 PHE A 30 18.408 -1.114 -28.423 1.00 4.11 C ATOM 492 CE2 PHE A 30 16.470 0.273 -28.616 1.00 24.43 C ATOM 493 CZ PHE A 30 17.035 -0.979 -28.465 1.00 34.15 C ATOM 0 H PHE A 30 21.839 3.214 -28.307 1.00 63.22 H new ATOM 0 HA PHE A 30 19.324 3.981 -27.289 1.00 35.10 H new ATOM 0 HB2 PHE A 30 19.027 3.229 -29.406 1.00 52.55 H new ATOM 0 HB3 PHE A 30 20.447 2.205 -29.348 1.00 52.55 H new ATOM 0 HD1 PHE A 30 20.288 -0.107 -28.503 1.00 23.53 H new ATOM 0 HD2 PHE A 30 16.835 2.362 -28.848 1.00 2.25 H new ATOM 0 HE1 PHE A 30 18.852 -2.091 -28.303 1.00 4.11 H new ATOM 0 HE2 PHE A 30 15.396 0.381 -28.646 1.00 24.43 H new ATOM 0 HZ PHE A 30 16.403 -1.851 -28.380 1.00 34.15 H new ATOM 503 N SER A 31 20.693 1.410 -25.885 1.00 42.35 N ATOM 504 CA SER A 31 20.561 0.425 -24.819 1.00 73.40 C ATOM 505 C SER A 31 21.710 0.544 -23.823 1.00 1.31 C ATOM 506 O SER A 31 21.993 -0.388 -23.071 1.00 71.34 O ATOM 507 CB SER A 31 20.523 -0.989 -25.404 1.00 14.43 C ATOM 508 OG SER A 31 21.765 -1.330 -25.994 1.00 52.12 O ATOM 0 H SER A 31 21.643 1.522 -26.240 1.00 42.35 H new ATOM 0 HA SER A 31 19.626 0.619 -24.293 1.00 73.40 H new ATOM 0 HB2 SER A 31 20.281 -1.705 -24.618 1.00 14.43 H new ATOM 0 HB3 SER A 31 19.732 -1.056 -26.150 1.00 14.43 H new ATOM 0 HG SER A 31 21.981 -2.263 -25.786 1.00 52.12 H new ATOM 514 N GLN A 32 22.368 1.699 -23.824 1.00 62.03 N ATOM 515 CA GLN A 32 23.487 1.941 -22.922 1.00 24.15 C ATOM 516 C GLN A 32 23.645 3.431 -22.637 1.00 64.14 C ATOM 517 O GLN A 32 22.881 4.254 -23.142 1.00 32.51 O ATOM 518 CB GLN A 32 24.781 1.383 -23.518 1.00 51.40 C ATOM 519 CG GLN A 32 25.446 0.328 -22.649 1.00 43.32 C ATOM 520 CD GLN A 32 25.556 -1.015 -23.343 1.00 75.11 C ATOM 521 OE1 GLN A 32 26.627 -1.621 -23.384 1.00 10.52 O ATOM 522 NE2 GLN A 32 24.444 -1.489 -23.894 1.00 21.31 N ATOM 0 H GLN A 32 22.145 2.481 -24.439 1.00 62.03 H new ATOM 0 HA GLN A 32 23.279 1.430 -21.982 1.00 24.15 H new ATOM 0 HB2 GLN A 32 24.565 0.953 -24.496 1.00 51.40 H new ATOM 0 HB3 GLN A 32 25.481 2.203 -23.678 1.00 51.40 H new ATOM 0 HG2 GLN A 32 26.442 0.670 -22.367 1.00 43.32 H new ATOM 0 HG3 GLN A 32 24.877 0.211 -21.727 1.00 43.32 H new ATOM 0 HE21 GLN A 32 23.578 -0.953 -23.836 1.00 21.31 H new ATOM 0 HE22 GLN A 32 24.456 -2.389 -24.375 1.00 21.31 H new ATOM 531 N ASP A 33 24.641 3.771 -21.827 1.00 3.12 N ATOM 532 CA ASP A 33 24.900 5.163 -21.476 1.00 21.31 C ATOM 533 C ASP A 33 26.055 5.725 -22.299 1.00 23.24 C ATOM 534 O ASP A 33 27.213 5.358 -22.094 1.00 53.24 O ATOM 535 CB ASP A 33 25.213 5.285 -19.984 1.00 24.12 C ATOM 536 CG ASP A 33 24.024 4.932 -19.112 1.00 5.12 C ATOM 537 OD1 ASP A 33 23.394 3.884 -19.364 1.00 31.34 O ATOM 538 OD2 ASP A 33 23.725 5.704 -18.177 1.00 61.21 O ATOM 0 H ASP A 33 25.283 3.102 -21.401 1.00 3.12 H new ATOM 0 HA ASP A 33 24.004 5.741 -21.699 1.00 21.31 H new ATOM 0 HB2 ASP A 33 26.049 4.630 -19.736 1.00 24.12 H new ATOM 0 HB3 ASP A 33 25.531 6.304 -19.765 1.00 24.12 H new ATOM 543 N VAL A 34 25.733 6.616 -23.230 1.00 51.33 N ATOM 544 CA VAL A 34 26.743 7.229 -24.084 1.00 43.22 C ATOM 545 C VAL A 34 27.830 7.903 -23.253 1.00 72.35 C ATOM 546 O VAL A 34 28.971 8.040 -23.697 1.00 54.23 O ATOM 547 CB VAL A 34 26.120 8.269 -25.034 1.00 12.21 C ATOM 548 CG1 VAL A 34 25.573 9.451 -24.247 1.00 61.24 C ATOM 549 CG2 VAL A 34 27.141 8.730 -26.063 1.00 71.12 C ATOM 0 H VAL A 34 24.780 6.930 -23.412 1.00 51.33 H new ATOM 0 HA VAL A 34 27.186 6.427 -24.675 1.00 43.22 H new ATOM 0 HB VAL A 34 25.291 7.801 -25.564 1.00 12.21 H new ATOM 0 HG11 VAL A 34 25.137 10.175 -24.935 1.00 61.24 H new ATOM 0 HG12 VAL A 34 24.808 9.103 -23.553 1.00 61.24 H new ATOM 0 HG13 VAL A 34 26.382 9.922 -23.689 1.00 61.24 H new ATOM 0 HG21 VAL A 34 26.683 9.465 -26.726 1.00 71.12 H new ATOM 0 HG22 VAL A 34 27.992 9.181 -25.554 1.00 71.12 H new ATOM 0 HG23 VAL A 34 27.480 7.875 -26.648 1.00 71.12 H new ATOM 559 N LEU A 35 27.469 8.321 -22.045 1.00 60.04 N ATOM 560 CA LEU A 35 28.414 8.980 -21.150 1.00 54.53 C ATOM 561 C LEU A 35 29.520 8.021 -20.723 1.00 34.01 C ATOM 562 O LEU A 35 30.567 8.443 -20.231 1.00 51.31 O ATOM 563 CB LEU A 35 27.686 9.520 -19.917 1.00 44.25 C ATOM 564 CG LEU A 35 28.135 10.896 -19.422 1.00 72.25 C ATOM 565 CD1 LEU A 35 29.583 10.851 -18.961 1.00 20.13 C ATOM 566 CD2 LEU A 35 27.953 11.941 -20.514 1.00 21.41 C ATOM 0 H LEU A 35 26.529 8.215 -21.663 1.00 60.04 H new ATOM 0 HA LEU A 35 28.869 9.811 -21.689 1.00 54.53 H new ATOM 0 HB2 LEU A 35 26.620 9.566 -20.140 1.00 44.25 H new ATOM 0 HB3 LEU A 35 27.811 8.805 -19.104 1.00 44.25 H new ATOM 0 HG LEU A 35 27.513 11.176 -18.572 1.00 72.25 H new ATOM 0 HD11 LEU A 35 29.885 11.839 -18.612 1.00 20.13 H new ATOM 0 HD12 LEU A 35 29.684 10.133 -18.147 1.00 20.13 H new ATOM 0 HD13 LEU A 35 30.220 10.549 -19.792 1.00 20.13 H new ATOM 0 HD21 LEU A 35 28.277 12.914 -20.144 1.00 21.41 H new ATOM 0 HD22 LEU A 35 28.549 11.666 -21.384 1.00 21.41 H new ATOM 0 HD23 LEU A 35 26.902 11.993 -20.797 1.00 21.41 H new ATOM 578 N LEU A 36 29.281 6.728 -20.916 1.00 3.44 N ATOM 579 CA LEU A 36 30.258 5.708 -20.552 1.00 63.22 C ATOM 580 C LEU A 36 31.040 5.242 -21.776 1.00 74.45 C ATOM 581 O LEU A 36 31.566 4.129 -21.802 1.00 13.44 O ATOM 582 CB LEU A 36 29.560 4.516 -19.895 1.00 11.33 C ATOM 583 CG LEU A 36 29.192 4.684 -18.420 1.00 54.21 C ATOM 584 CD1 LEU A 36 30.432 4.978 -17.590 1.00 53.03 C ATOM 585 CD2 LEU A 36 28.160 5.790 -18.251 1.00 31.03 C ATOM 0 H LEU A 36 28.420 6.362 -21.322 1.00 3.44 H new ATOM 0 HA LEU A 36 30.958 6.148 -19.842 1.00 63.22 H new ATOM 0 HB2 LEU A 36 28.649 4.300 -20.454 1.00 11.33 H new ATOM 0 HB3 LEU A 36 30.207 3.644 -19.991 1.00 11.33 H new ATOM 0 HG LEU A 36 28.756 3.750 -18.065 1.00 54.21 H new ATOM 0 HD11 LEU A 36 30.150 5.094 -16.544 1.00 53.03 H new ATOM 0 HD12 LEU A 36 31.138 4.153 -17.686 1.00 53.03 H new ATOM 0 HD13 LEU A 36 30.898 5.897 -17.945 1.00 53.03 H new ATOM 0 HD21 LEU A 36 27.910 5.896 -17.195 1.00 31.03 H new ATOM 0 HD22 LEU A 36 28.569 6.729 -18.623 1.00 31.03 H new ATOM 0 HD23 LEU A 36 27.261 5.538 -18.814 1.00 31.03 H new ATOM 597 N GLN A 37 31.112 6.101 -22.788 1.00 62.41 N ATOM 598 CA GLN A 37 31.831 5.777 -24.015 1.00 20.43 C ATOM 599 C GLN A 37 33.188 6.472 -24.050 1.00 52.14 C ATOM 600 O GLN A 37 34.229 5.833 -23.895 1.00 74.23 O ATOM 601 CB GLN A 37 31.005 6.181 -25.237 1.00 31.01 C ATOM 602 CG GLN A 37 29.588 5.630 -25.223 1.00 63.43 C ATOM 603 CD GLN A 37 29.534 4.152 -25.557 1.00 70.13 C ATOM 604 OE1 GLN A 37 30.506 3.579 -26.050 1.00 61.12 O ATOM 605 NE2 GLN A 37 28.394 3.526 -25.290 1.00 31.21 N ATOM 0 H GLN A 37 30.682 7.026 -22.783 1.00 62.41 H new ATOM 0 HA GLN A 37 31.995 4.700 -24.037 1.00 20.43 H new ATOM 0 HB2 GLN A 37 30.962 7.269 -25.293 1.00 31.01 H new ATOM 0 HB3 GLN A 37 31.512 5.835 -26.138 1.00 31.01 H new ATOM 0 HG2 GLN A 37 29.149 5.793 -24.239 1.00 63.43 H new ATOM 0 HG3 GLN A 37 28.980 6.183 -25.939 1.00 63.43 H new ATOM 0 HE21 GLN A 37 27.614 4.040 -24.881 1.00 31.21 H new ATOM 0 HE22 GLN A 37 28.299 2.531 -25.494 1.00 31.21 H new ATOM 614 N TYR A 38 33.169 7.784 -24.256 1.00 50.31 N ATOM 615 CA TYR A 38 34.398 8.566 -24.315 1.00 41.42 C ATOM 616 C TYR A 38 34.111 10.049 -24.098 1.00 25.15 C ATOM 617 O TYR A 38 33.013 10.540 -24.358 1.00 41.22 O ATOM 618 CB TYR A 38 35.093 8.362 -25.662 1.00 40.35 C ATOM 619 CG TYR A 38 36.021 7.168 -25.691 1.00 15.52 C ATOM 620 CD1 TYR A 38 36.988 6.992 -24.709 1.00 13.23 C ATOM 621 CD2 TYR A 38 35.931 6.218 -26.700 1.00 34.54 C ATOM 622 CE1 TYR A 38 37.838 5.903 -24.731 1.00 12.53 C ATOM 623 CE2 TYR A 38 36.775 5.125 -26.729 1.00 24.03 C ATOM 624 CZ TYR A 38 37.727 4.972 -25.742 1.00 44.54 C ATOM 625 OH TYR A 38 38.572 3.886 -25.769 1.00 12.23 O ATOM 0 H TYR A 38 32.316 8.328 -24.385 1.00 50.31 H new ATOM 0 HA TYR A 38 35.057 8.221 -23.518 1.00 41.42 H new ATOM 0 HB2 TYR A 38 34.336 8.242 -26.437 1.00 40.35 H new ATOM 0 HB3 TYR A 38 35.661 9.259 -25.908 1.00 40.35 H new ATOM 0 HD1 TYR A 38 37.077 7.719 -23.915 1.00 13.23 H new ATOM 0 HD2 TYR A 38 35.188 6.336 -27.475 1.00 34.54 H new ATOM 0 HE1 TYR A 38 38.585 5.782 -23.961 1.00 12.53 H new ATOM 0 HE2 TYR A 38 36.690 4.394 -27.520 1.00 24.03 H new ATOM 0 HH TYR A 38 38.361 3.326 -26.545 1.00 12.23 H new ATOM 635 N PRO A 39 35.124 10.780 -23.608 1.00 53.51 N ATOM 636 CA PRO A 39 35.007 12.218 -23.345 1.00 73.21 C ATOM 637 C PRO A 39 34.907 13.036 -24.628 1.00 74.32 C ATOM 638 O PRO A 39 35.862 13.702 -25.026 1.00 14.24 O ATOM 639 CB PRO A 39 36.302 12.549 -22.600 1.00 21.42 C ATOM 640 CG PRO A 39 37.270 11.506 -23.042 1.00 3.30 C ATOM 641 CD PRO A 39 36.460 10.261 -23.274 1.00 64.24 C ATOM 0 HA PRO A 39 34.103 12.457 -22.784 1.00 73.21 H new ATOM 0 HB2 PRO A 39 36.657 13.549 -22.848 1.00 21.42 H new ATOM 0 HB3 PRO A 39 36.156 12.521 -21.520 1.00 21.42 H new ATOM 0 HG2 PRO A 39 37.785 11.812 -23.953 1.00 3.30 H new ATOM 0 HG3 PRO A 39 38.036 11.338 -22.284 1.00 3.30 H new ATOM 0 HD2 PRO A 39 36.871 9.659 -24.084 1.00 64.24 H new ATOM 0 HD3 PRO A 39 36.435 9.627 -22.388 1.00 64.24 H new ATOM 649 N GLU A 40 33.744 12.980 -25.271 1.00 64.11 N ATOM 650 CA GLU A 40 33.521 13.716 -26.510 1.00 3.11 C ATOM 651 C GLU A 40 32.049 13.678 -26.908 1.00 15.24 C ATOM 652 O GLU A 40 31.501 14.665 -27.401 1.00 2.41 O ATOM 653 CB GLU A 40 34.380 13.136 -27.636 1.00 30.13 C ATOM 654 CG GLU A 40 34.187 11.643 -27.841 1.00 21.24 C ATOM 655 CD GLU A 40 35.469 10.939 -28.241 1.00 73.54 C ATOM 656 OE1 GLU A 40 36.444 11.636 -28.591 1.00 52.22 O ATOM 657 OE2 GLU A 40 35.497 9.691 -28.206 1.00 31.33 O ATOM 0 H GLU A 40 32.943 12.433 -24.955 1.00 64.11 H new ATOM 0 HA GLU A 40 33.808 14.754 -26.342 1.00 3.11 H new ATOM 0 HB2 GLU A 40 34.145 13.655 -28.565 1.00 30.13 H new ATOM 0 HB3 GLU A 40 35.430 13.332 -27.418 1.00 30.13 H new ATOM 0 HG2 GLU A 40 33.805 11.200 -26.921 1.00 21.24 H new ATOM 0 HG3 GLU A 40 33.432 11.480 -28.610 1.00 21.24 H new ATOM 664 N LEU A 41 31.413 12.532 -26.690 1.00 54.34 N ATOM 665 CA LEU A 41 30.003 12.364 -27.026 1.00 51.02 C ATOM 666 C LEU A 41 29.123 12.564 -25.797 1.00 13.14 C ATOM 667 O LEU A 41 27.927 12.274 -25.823 1.00 61.12 O ATOM 668 CB LEU A 41 29.762 10.975 -27.619 1.00 60.24 C ATOM 669 CG LEU A 41 30.369 9.802 -26.849 1.00 61.42 C ATOM 670 CD1 LEU A 41 31.822 9.595 -27.250 1.00 34.34 C ATOM 671 CD2 LEU A 41 30.255 10.032 -25.349 1.00 40.04 C ATOM 0 H LEU A 41 31.851 11.706 -26.282 1.00 54.34 H new ATOM 0 HA LEU A 41 29.739 13.119 -27.766 1.00 51.02 H new ATOM 0 HB2 LEU A 41 28.686 10.816 -27.695 1.00 60.24 H new ATOM 0 HB3 LEU A 41 30.159 10.961 -28.634 1.00 60.24 H new ATOM 0 HG LEU A 41 29.812 8.900 -27.101 1.00 61.42 H new ATOM 0 HD11 LEU A 41 32.238 8.756 -26.692 1.00 34.34 H new ATOM 0 HD12 LEU A 41 31.878 9.384 -28.318 1.00 34.34 H new ATOM 0 HD13 LEU A 41 32.393 10.497 -27.028 1.00 34.34 H new ATOM 0 HD21 LEU A 41 30.692 9.187 -24.817 1.00 40.04 H new ATOM 0 HD22 LEU A 41 30.786 10.945 -25.079 1.00 40.04 H new ATOM 0 HD23 LEU A 41 29.205 10.129 -25.075 1.00 40.04 H new ATOM 683 N ALA A 42 29.722 13.064 -24.721 1.00 62.10 N ATOM 684 CA ALA A 42 28.992 13.307 -23.483 1.00 41.11 C ATOM 685 C ALA A 42 27.799 14.226 -23.721 1.00 50.51 C ATOM 686 O ALA A 42 26.827 14.205 -22.966 1.00 65.33 O ATOM 687 CB ALA A 42 29.918 13.902 -22.432 1.00 71.14 C ATOM 0 H ALA A 42 30.711 13.309 -24.682 1.00 62.10 H new ATOM 0 HA ALA A 42 28.614 12.351 -23.119 1.00 41.11 H new ATOM 0 HB1 ALA A 42 29.359 14.078 -21.513 1.00 71.14 H new ATOM 0 HB2 ALA A 42 30.735 13.209 -22.233 1.00 71.14 H new ATOM 0 HB3 ALA A 42 30.324 14.846 -22.797 1.00 71.14 H new ATOM 693 N GLU A 43 27.880 15.034 -24.774 1.00 63.54 N ATOM 694 CA GLU A 43 26.807 15.962 -25.109 1.00 73.45 C ATOM 695 C GLU A 43 25.574 15.211 -25.607 1.00 4.32 C ATOM 696 O GLU A 43 24.442 15.629 -25.367 1.00 35.43 O ATOM 697 CB GLU A 43 27.276 16.956 -26.174 1.00 13.15 C ATOM 698 CG GLU A 43 26.291 18.085 -26.427 1.00 43.33 C ATOM 699 CD GLU A 43 26.863 19.167 -27.324 1.00 35.15 C ATOM 700 OE1 GLU A 43 26.897 18.961 -28.555 1.00 25.04 O ATOM 701 OE2 GLU A 43 27.274 20.220 -26.793 1.00 24.21 O ATOM 0 H GLU A 43 28.678 15.064 -25.409 1.00 63.54 H new ATOM 0 HA GLU A 43 26.539 16.509 -24.205 1.00 73.45 H new ATOM 0 HB2 GLU A 43 28.232 17.381 -25.867 1.00 13.15 H new ATOM 0 HB3 GLU A 43 27.450 16.421 -27.107 1.00 13.15 H new ATOM 0 HG2 GLU A 43 25.388 17.679 -26.883 1.00 43.33 H new ATOM 0 HG3 GLU A 43 25.996 18.526 -25.475 1.00 43.33 H new ATOM 708 N SER A 44 25.805 14.102 -26.302 1.00 32.23 N ATOM 709 CA SER A 44 24.715 13.295 -26.837 1.00 55.01 C ATOM 710 C SER A 44 23.859 12.723 -25.711 1.00 75.23 C ATOM 711 O SER A 44 22.663 12.483 -25.885 1.00 65.15 O ATOM 712 CB SER A 44 25.268 12.159 -27.700 1.00 4.32 C ATOM 713 OG SER A 44 25.559 11.017 -26.913 1.00 61.25 O ATOM 0 H SER A 44 26.737 13.742 -26.508 1.00 32.23 H new ATOM 0 HA SER A 44 24.089 13.939 -27.455 1.00 55.01 H new ATOM 0 HB2 SER A 44 24.543 11.898 -28.471 1.00 4.32 H new ATOM 0 HB3 SER A 44 26.171 12.493 -28.211 1.00 4.32 H new ATOM 0 HG SER A 44 26.279 11.229 -26.283 1.00 61.25 H new ATOM 719 N TYR A 45 24.479 12.506 -24.557 1.00 12.42 N ATOM 720 CA TYR A 45 23.776 11.960 -23.402 1.00 73.02 C ATOM 721 C TYR A 45 22.509 12.758 -23.108 1.00 71.41 C ATOM 722 O TYR A 45 21.405 12.212 -23.095 1.00 21.51 O ATOM 723 CB TYR A 45 24.689 11.961 -22.175 1.00 50.31 C ATOM 724 CG TYR A 45 24.060 11.334 -20.952 1.00 20.04 C ATOM 725 CD1 TYR A 45 24.111 9.960 -20.747 1.00 54.44 C ATOM 726 CD2 TYR A 45 23.415 12.114 -20.000 1.00 55.24 C ATOM 727 CE1 TYR A 45 23.537 9.383 -19.631 1.00 72.44 C ATOM 728 CE2 TYR A 45 22.839 11.545 -18.881 1.00 3.23 C ATOM 729 CZ TYR A 45 22.903 10.179 -18.701 1.00 11.12 C ATOM 730 OH TYR A 45 22.330 9.608 -17.587 1.00 52.35 O ATOM 0 H TYR A 45 25.467 12.700 -24.396 1.00 12.42 H new ATOM 0 HA TYR A 45 23.492 10.934 -23.634 1.00 73.02 H new ATOM 0 HB2 TYR A 45 25.608 11.426 -22.416 1.00 50.31 H new ATOM 0 HB3 TYR A 45 24.970 12.988 -21.943 1.00 50.31 H new ATOM 0 HD1 TYR A 45 24.608 9.333 -21.473 1.00 54.44 H new ATOM 0 HD2 TYR A 45 23.363 13.184 -20.137 1.00 55.24 H new ATOM 0 HE1 TYR A 45 23.585 8.314 -19.488 1.00 72.44 H new ATOM 0 HE2 TYR A 45 22.341 12.166 -18.151 1.00 3.23 H new ATOM 0 HH TYR A 45 22.072 8.684 -17.789 1.00 52.35 H new ATOM 740 N THR A 46 22.676 14.055 -22.873 1.00 12.53 N ATOM 741 CA THR A 46 21.548 14.930 -22.578 1.00 52.03 C ATOM 742 C THR A 46 20.614 15.045 -23.777 1.00 55.03 C ATOM 743 O THR A 46 19.402 15.198 -23.621 1.00 51.23 O ATOM 744 CB THR A 46 22.020 16.339 -22.173 1.00 2.00 C ATOM 745 OG1 THR A 46 20.896 17.219 -22.059 1.00 21.43 O ATOM 746 CG2 THR A 46 23.003 16.894 -23.192 1.00 44.24 C ATOM 0 H THR A 46 23.582 14.523 -22.881 1.00 12.53 H new ATOM 0 HA THR A 46 21.010 14.481 -21.743 1.00 52.03 H new ATOM 0 HB THR A 46 22.523 16.266 -21.209 1.00 2.00 H new ATOM 0 HG1 THR A 46 21.205 18.112 -21.800 1.00 21.43 H new ATOM 0 HG21 THR A 46 23.322 17.890 -22.885 1.00 44.24 H new ATOM 0 HG22 THR A 46 23.871 16.238 -23.255 1.00 44.24 H new ATOM 0 HG23 THR A 46 22.521 16.953 -24.168 1.00 44.24 H new ATOM 754 N LYS A 47 21.184 14.970 -24.975 1.00 73.40 N ATOM 755 CA LYS A 47 20.402 15.063 -26.202 1.00 41.13 C ATOM 756 C LYS A 47 19.287 14.023 -26.218 1.00 34.24 C ATOM 757 O LYS A 47 18.223 14.247 -26.796 1.00 63.42 O ATOM 758 CB LYS A 47 21.306 14.875 -27.423 1.00 21.13 C ATOM 759 CG LYS A 47 21.158 15.971 -28.464 1.00 25.12 C ATOM 760 CD LYS A 47 19.750 16.015 -29.031 1.00 73.34 C ATOM 761 CE LYS A 47 19.446 17.363 -29.666 1.00 1.42 C ATOM 762 NZ LYS A 47 19.848 17.405 -31.099 1.00 42.21 N ATOM 0 H LYS A 47 22.186 14.845 -25.122 1.00 73.40 H new ATOM 0 HA LYS A 47 19.950 16.054 -26.240 1.00 41.13 H new ATOM 0 HB2 LYS A 47 22.344 14.836 -27.093 1.00 21.13 H new ATOM 0 HB3 LYS A 47 21.082 13.914 -27.885 1.00 21.13 H new ATOM 0 HG2 LYS A 47 21.401 16.935 -28.016 1.00 25.12 H new ATOM 0 HG3 LYS A 47 21.871 15.806 -29.271 1.00 25.12 H new ATOM 0 HD2 LYS A 47 19.631 15.227 -29.774 1.00 73.34 H new ATOM 0 HD3 LYS A 47 19.031 15.815 -28.237 1.00 73.34 H new ATOM 0 HE2 LYS A 47 18.379 17.572 -29.582 1.00 1.42 H new ATOM 0 HE3 LYS A 47 19.968 18.148 -29.119 1.00 1.42 H new ATOM 0 HZ1 LYS A 47 19.624 18.340 -31.495 1.00 42.21 H new ATOM 0 HZ2 LYS A 47 20.870 17.231 -31.178 1.00 42.21 H new ATOM 0 HZ3 LYS A 47 19.331 16.673 -31.626 1.00 42.21 H new ATOM 776 N VAL A 48 19.536 12.885 -25.577 1.00 14.23 N ATOM 777 CA VAL A 48 18.551 11.811 -25.514 1.00 43.44 C ATOM 778 C VAL A 48 18.081 11.579 -24.083 1.00 3.01 C ATOM 779 O VAL A 48 17.639 10.484 -23.734 1.00 24.31 O ATOM 780 CB VAL A 48 19.120 10.495 -26.076 1.00 43.14 C ATOM 781 CG1 VAL A 48 20.111 9.881 -25.099 1.00 33.11 C ATOM 782 CG2 VAL A 48 17.996 9.521 -26.391 1.00 75.55 C ATOM 0 H VAL A 48 20.411 12.683 -25.094 1.00 14.23 H new ATOM 0 HA VAL A 48 17.704 12.122 -26.125 1.00 43.44 H new ATOM 0 HB VAL A 48 19.650 10.715 -27.003 1.00 43.14 H new ATOM 0 HG11 VAL A 48 20.502 8.952 -25.513 1.00 33.11 H new ATOM 0 HG12 VAL A 48 20.933 10.577 -24.929 1.00 33.11 H new ATOM 0 HG13 VAL A 48 19.609 9.674 -24.154 1.00 33.11 H new ATOM 0 HG21 VAL A 48 18.416 8.596 -26.787 1.00 75.55 H new ATOM 0 HG22 VAL A 48 17.436 9.305 -25.481 1.00 75.55 H new ATOM 0 HG23 VAL A 48 17.329 9.963 -27.131 1.00 75.55 H new ATOM 792 N CYS A 49 18.179 12.616 -23.259 1.00 30.05 N ATOM 793 CA CYS A 49 17.764 12.525 -21.863 1.00 52.21 C ATOM 794 C CYS A 49 18.617 11.512 -21.107 1.00 74.30 C ATOM 795 O CYS A 49 19.310 10.684 -21.698 1.00 22.53 O ATOM 796 CB CYS A 49 16.288 12.136 -21.773 1.00 14.01 C ATOM 797 SG CYS A 49 15.177 13.524 -21.443 1.00 1.23 S ATOM 0 H CYS A 49 18.542 13.529 -23.533 1.00 30.05 H new ATOM 0 HA CYS A 49 17.903 13.504 -21.404 1.00 52.21 H new ATOM 0 HB2 CYS A 49 15.991 11.661 -22.708 1.00 14.01 H new ATOM 0 HB3 CYS A 49 16.167 11.392 -20.985 1.00 14.01 H new ATOM 0 HG CYS A 49 13.951 13.095 -21.387 1.00 1.23 H new ATOM 803 N PRO A 50 18.567 11.578 -19.768 1.00 71.23 N ATOM 804 CA PRO A 50 19.330 10.674 -18.902 1.00 73.12 C ATOM 805 C PRO A 50 18.802 9.244 -18.949 1.00 25.11 C ATOM 806 O PRO A 50 18.071 8.813 -18.058 1.00 65.34 O ATOM 807 CB PRO A 50 19.134 11.271 -17.506 1.00 73.23 C ATOM 808 CG PRO A 50 17.846 12.015 -17.590 1.00 41.41 C ATOM 809 CD PRO A 50 17.762 12.540 -18.997 1.00 33.40 C ATOM 0 HA PRO A 50 20.374 10.602 -19.207 1.00 73.12 H new ATOM 0 HB2 PRO A 50 19.092 10.492 -16.745 1.00 73.23 H new ATOM 0 HB3 PRO A 50 19.957 11.934 -17.240 1.00 73.23 H new ATOM 0 HG2 PRO A 50 17.003 11.362 -17.366 1.00 41.41 H new ATOM 0 HG3 PRO A 50 17.818 12.830 -16.867 1.00 41.41 H new ATOM 0 HD2 PRO A 50 16.732 12.577 -19.351 1.00 33.40 H new ATOM 0 HD3 PRO A 50 18.162 13.551 -19.073 1.00 33.40 H new ATOM 817 N ASN A 51 19.179 8.513 -19.993 1.00 51.14 N ATOM 818 CA ASN A 51 18.743 7.131 -20.156 1.00 23.22 C ATOM 819 C ASN A 51 17.232 7.056 -20.353 1.00 2.21 C ATOM 820 O ASN A 51 16.463 7.238 -19.409 1.00 41.41 O ATOM 821 CB ASN A 51 19.152 6.299 -18.938 1.00 54.12 C ATOM 822 CG ASN A 51 20.587 6.553 -18.520 1.00 20.03 C ATOM 823 OD1 ASN A 51 20.883 6.698 -17.334 1.00 0.34 O ATOM 824 ND2 ASN A 51 21.487 6.608 -19.495 1.00 74.40 N ATOM 0 H ASN A 51 19.785 8.855 -20.739 1.00 51.14 H new ATOM 0 HA ASN A 51 19.227 6.726 -21.044 1.00 23.22 H new ATOM 0 HB2 ASN A 51 18.488 6.529 -18.105 1.00 54.12 H new ATOM 0 HB3 ASN A 51 19.024 5.241 -19.165 1.00 54.12 H new ATOM 0 HD21 ASN A 51 22.469 6.776 -19.274 1.00 74.40 H new ATOM 0 HD22 ASN A 51 21.197 6.482 -20.465 1.00 74.40 H new ATOM 831 N ARG A 52 16.814 6.787 -21.585 1.00 65.44 N ATOM 832 CA ARG A 52 15.396 6.688 -21.907 1.00 12.31 C ATOM 833 C ARG A 52 15.069 5.327 -22.515 1.00 1.43 C ATOM 834 O ARG A 52 14.100 5.187 -23.262 1.00 30.44 O ATOM 835 CB ARG A 52 14.992 7.802 -22.875 1.00 63.54 C ATOM 836 CG ARG A 52 14.939 9.178 -22.233 1.00 73.00 C ATOM 837 CD ARG A 52 13.957 10.090 -22.951 1.00 53.25 C ATOM 838 NE ARG A 52 14.469 10.535 -24.245 1.00 13.12 N ATOM 839 CZ ARG A 52 14.021 11.611 -24.882 1.00 11.43 C ATOM 840 NH1 ARG A 52 13.058 12.349 -24.347 1.00 54.12 N ATOM 841 NH2 ARG A 52 14.537 11.952 -26.056 1.00 4.15 N ATOM 0 H ARG A 52 17.438 6.634 -22.377 1.00 65.44 H new ATOM 0 HA ARG A 52 14.831 6.798 -20.981 1.00 12.31 H new ATOM 0 HB2 ARG A 52 15.699 7.825 -23.705 1.00 63.54 H new ATOM 0 HB3 ARG A 52 14.014 7.569 -23.296 1.00 63.54 H new ATOM 0 HG2 ARG A 52 14.649 9.082 -21.187 1.00 73.00 H new ATOM 0 HG3 ARG A 52 15.932 9.627 -22.249 1.00 73.00 H new ATOM 0 HD2 ARG A 52 13.013 9.564 -23.096 1.00 53.25 H new ATOM 0 HD3 ARG A 52 13.746 10.958 -22.327 1.00 53.25 H new ATOM 0 HE ARG A 52 15.211 9.989 -24.683 1.00 13.12 H new ATOM 0 HH11 ARG A 52 12.660 12.091 -23.444 1.00 54.12 H new ATOM 0 HH12 ARG A 52 12.716 13.175 -24.838 1.00 54.12 H new ATOM 0 HH21 ARG A 52 15.279 11.388 -26.470 1.00 4.15 H new ATOM 0 HH22 ARG A 52 14.192 12.779 -26.544 1.00 4.15 H new ATOM 855 N CYS A 53 15.884 4.330 -22.190 1.00 74.41 N ATOM 856 CA CYS A 53 15.682 2.980 -22.705 1.00 62.21 C ATOM 857 C CYS A 53 15.027 2.089 -21.655 1.00 12.24 C ATOM 858 O CYS A 53 13.824 1.830 -21.708 1.00 44.34 O ATOM 859 CB CYS A 53 17.016 2.375 -23.144 1.00 24.41 C ATOM 860 SG CYS A 53 16.921 0.627 -23.597 1.00 32.34 S ATOM 0 H CYS A 53 16.690 4.430 -21.573 1.00 74.41 H new ATOM 0 HA CYS A 53 15.018 3.042 -23.567 1.00 62.21 H new ATOM 0 HB2 CYS A 53 17.396 2.940 -23.995 1.00 24.41 H new ATOM 0 HB3 CYS A 53 17.739 2.491 -22.336 1.00 24.41 H new ATOM 0 HG CYS A 53 17.474 0.449 -24.760 1.00 32.34 H new ATOM 866 N ASP A 54 15.825 1.622 -20.701 1.00 43.32 N ATOM 867 CA ASP A 54 15.323 0.760 -19.638 1.00 24.31 C ATOM 868 C ASP A 54 16.453 0.332 -18.707 1.00 22.55 C ATOM 869 O ASP A 54 16.454 0.663 -17.520 1.00 53.33 O ATOM 870 CB ASP A 54 14.641 -0.473 -20.232 1.00 35.31 C ATOM 871 CG ASP A 54 13.133 -0.433 -20.073 1.00 63.15 C ATOM 872 OD1 ASP A 54 12.660 0.041 -19.019 1.00 64.44 O ATOM 873 OD2 ASP A 54 12.427 -0.876 -21.003 1.00 74.12 O ATOM 0 H ASP A 54 16.823 1.826 -20.642 1.00 43.32 H new ATOM 0 HA ASP A 54 14.593 1.326 -19.059 1.00 24.31 H new ATOM 0 HB2 ASP A 54 14.890 -0.548 -21.291 1.00 35.31 H new ATOM 0 HB3 ASP A 54 15.031 -1.369 -19.749 1.00 35.31 H new ATOM 878 N LEU A 55 17.413 -0.408 -19.251 1.00 5.42 N ATOM 879 CA LEU A 55 18.550 -0.883 -18.469 1.00 15.45 C ATOM 880 C LEU A 55 19.447 0.278 -18.052 1.00 65.03 C ATOM 881 O LEU A 55 20.077 0.241 -16.996 1.00 31.45 O ATOM 882 CB LEU A 55 19.356 -1.904 -19.273 1.00 3.34 C ATOM 883 CG LEU A 55 20.061 -1.370 -20.520 1.00 41.12 C ATOM 884 CD1 LEU A 55 21.568 -1.525 -20.389 1.00 62.45 C ATOM 885 CD2 LEU A 55 19.555 -2.084 -21.765 1.00 63.21 C ATOM 0 H LEU A 55 17.427 -0.692 -20.230 1.00 5.42 H new ATOM 0 HA LEU A 55 18.166 -1.362 -17.568 1.00 15.45 H new ATOM 0 HB2 LEU A 55 20.106 -2.343 -18.616 1.00 3.34 H new ATOM 0 HB3 LEU A 55 18.686 -2.709 -19.575 1.00 3.34 H new ATOM 0 HG LEU A 55 19.833 -0.308 -20.617 1.00 41.12 H new ATOM 0 HD11 LEU A 55 22.053 -1.140 -21.286 1.00 62.45 H new ATOM 0 HD12 LEU A 55 21.917 -0.967 -19.520 1.00 62.45 H new ATOM 0 HD13 LEU A 55 21.816 -2.579 -20.267 1.00 62.45 H new ATOM 0 HD21 LEU A 55 20.068 -1.691 -22.643 1.00 63.21 H new ATOM 0 HD22 LEU A 55 19.752 -3.152 -21.677 1.00 63.21 H new ATOM 0 HD23 LEU A 55 18.482 -1.920 -21.868 1.00 63.21 H new ATOM 897 N ALA A 56 19.500 1.309 -18.890 1.00 32.34 N ATOM 898 CA ALA A 56 20.317 2.482 -18.607 1.00 11.13 C ATOM 899 C ALA A 56 19.629 3.401 -17.602 1.00 64.51 C ATOM 900 O ALA A 56 20.288 4.114 -16.845 1.00 1.22 O ATOM 901 CB ALA A 56 20.620 3.236 -19.893 1.00 5.43 C ATOM 0 H ALA A 56 18.987 1.355 -19.770 1.00 32.34 H new ATOM 0 HA ALA A 56 21.255 2.144 -18.167 1.00 11.13 H new ATOM 0 HB1 ALA A 56 21.231 4.110 -19.667 1.00 5.43 H new ATOM 0 HB2 ALA A 56 21.160 2.583 -20.579 1.00 5.43 H new ATOM 0 HB3 ALA A 56 19.686 3.556 -20.356 1.00 5.43 H new ATOM 907 N THR A 57 18.300 3.379 -17.601 1.00 21.15 N ATOM 908 CA THR A 57 17.523 4.211 -16.690 1.00 62.15 C ATOM 909 C THR A 57 17.412 3.565 -15.314 1.00 73.34 C ATOM 910 O THR A 57 17.629 4.216 -14.293 1.00 61.21 O ATOM 911 CB THR A 57 16.108 4.473 -17.238 1.00 74.45 C ATOM 912 OG1 THR A 57 16.172 4.783 -18.635 1.00 25.01 O ATOM 913 CG2 THR A 57 15.440 5.617 -16.490 1.00 25.40 C ATOM 0 H THR A 57 17.739 2.794 -18.221 1.00 21.15 H new ATOM 0 HA THR A 57 18.051 5.160 -16.600 1.00 62.15 H new ATOM 0 HB THR A 57 15.515 3.570 -17.094 1.00 74.45 H new ATOM 0 HG1 THR A 57 15.900 5.714 -18.776 1.00 25.01 H new ATOM 0 HG21 THR A 57 14.442 5.783 -16.895 1.00 25.40 H new ATOM 0 HG22 THR A 57 15.365 5.365 -15.432 1.00 25.40 H new ATOM 0 HG23 THR A 57 16.034 6.524 -16.606 1.00 25.40 H new ATOM 921 N ALA A 58 17.072 2.280 -15.295 1.00 22.11 N ATOM 922 CA ALA A 58 16.935 1.545 -14.044 1.00 13.14 C ATOM 923 C ALA A 58 18.275 1.427 -13.326 1.00 41.01 C ATOM 924 O ALA A 58 18.354 1.584 -12.108 1.00 52.11 O ATOM 925 CB ALA A 58 16.350 0.165 -14.304 1.00 32.23 C ATOM 0 H ALA A 58 16.887 1.727 -16.132 1.00 22.11 H new ATOM 0 HA ALA A 58 16.255 2.100 -13.398 1.00 13.14 H new ATOM 0 HB1 ALA A 58 16.253 -0.373 -13.361 1.00 32.23 H new ATOM 0 HB2 ALA A 58 15.368 0.267 -14.766 1.00 32.23 H new ATOM 0 HB3 ALA A 58 17.009 -0.390 -14.972 1.00 32.23 H new ATOM 931 N ALA A 59 19.327 1.149 -14.089 1.00 60.32 N ATOM 932 CA ALA A 59 20.664 1.011 -13.526 1.00 63.10 C ATOM 933 C ALA A 59 21.201 2.357 -13.051 1.00 64.22 C ATOM 934 O ALA A 59 21.900 2.436 -12.041 1.00 23.53 O ATOM 935 CB ALA A 59 21.607 0.396 -14.549 1.00 62.44 C ATOM 0 H ALA A 59 19.279 1.015 -15.099 1.00 60.32 H new ATOM 0 HA ALA A 59 20.601 0.349 -12.662 1.00 63.10 H new ATOM 0 HB1 ALA A 59 22.602 0.299 -14.115 1.00 62.44 H new ATOM 0 HB2 ALA A 59 21.239 -0.589 -14.837 1.00 62.44 H new ATOM 0 HB3 ALA A 59 21.656 1.037 -15.430 1.00 62.44 H new ATOM 941 N ASP A 60 20.871 3.413 -13.786 1.00 61.23 N ATOM 942 CA ASP A 60 21.320 4.756 -13.440 1.00 3.31 C ATOM 943 C ASP A 60 20.737 5.196 -12.100 1.00 61.35 C ATOM 944 O ASP A 60 21.432 5.787 -11.274 1.00 31.43 O ATOM 945 CB ASP A 60 20.922 5.748 -14.534 1.00 12.33 C ATOM 946 CG ASP A 60 20.977 7.187 -14.059 1.00 31.13 C ATOM 947 OD1 ASP A 60 22.049 7.814 -14.188 1.00 42.33 O ATOM 948 OD2 ASP A 60 19.948 7.686 -13.558 1.00 74.21 O ATOM 0 H ASP A 60 20.294 3.365 -14.626 1.00 61.23 H new ATOM 0 HA ASP A 60 22.407 4.738 -13.355 1.00 3.31 H new ATOM 0 HB2 ASP A 60 21.585 5.626 -15.390 1.00 12.33 H new ATOM 0 HB3 ASP A 60 19.913 5.520 -14.877 1.00 12.33 H new ATOM 953 N ARG A 61 19.457 4.904 -11.894 1.00 0.00 N ATOM 954 CA ARG A 61 18.780 5.271 -10.656 1.00 51.11 C ATOM 955 C ARG A 61 19.462 4.629 -9.452 1.00 23.30 C ATOM 956 O ARG A 61 19.775 5.302 -8.471 1.00 14.34 O ATOM 957 CB ARG A 61 17.311 4.848 -10.709 1.00 14.12 C ATOM 958 CG ARG A 61 16.355 5.999 -10.979 1.00 31.31 C ATOM 959 CD ARG A 61 16.685 6.702 -12.286 1.00 62.01 C ATOM 960 NE ARG A 61 17.418 7.946 -12.068 1.00 41.33 N ATOM 961 CZ ARG A 61 16.858 9.058 -11.604 1.00 73.41 C ATOM 962 NH1 ARG A 61 15.565 9.079 -11.310 1.00 40.41 N ATOM 963 NH2 ARG A 61 17.591 10.150 -11.433 1.00 11.24 N ATOM 0 H ARG A 61 18.868 4.415 -12.568 1.00 0.00 H new ATOM 0 HA ARG A 61 18.836 6.354 -10.548 1.00 51.11 H new ATOM 0 HB2 ARG A 61 17.187 4.094 -11.486 1.00 14.12 H new ATOM 0 HB3 ARG A 61 17.043 4.378 -9.763 1.00 14.12 H new ATOM 0 HG2 ARG A 61 15.332 5.623 -11.015 1.00 31.31 H new ATOM 0 HG3 ARG A 61 16.403 6.714 -10.158 1.00 31.31 H new ATOM 0 HD2 ARG A 61 17.277 6.038 -12.915 1.00 62.01 H new ATOM 0 HD3 ARG A 61 15.763 6.915 -12.826 1.00 62.01 H new ATOM 0 HE ARG A 61 18.415 7.962 -12.284 1.00 41.33 H new ATOM 0 HH11 ARG A 61 14.999 8.241 -11.440 1.00 40.41 H new ATOM 0 HH12 ARG A 61 15.137 9.934 -10.954 1.00 40.41 H new ATOM 0 HH21 ARG A 61 18.586 10.137 -11.658 1.00 11.24 H new ATOM 0 HH22 ARG A 61 17.160 11.003 -11.077 1.00 11.24 H new ATOM 977 N ALA A 62 19.690 3.322 -9.535 1.00 21.02 N ATOM 978 CA ALA A 62 20.336 2.589 -8.453 1.00 45.22 C ATOM 979 C ALA A 62 21.799 2.996 -8.312 1.00 3.11 C ATOM 980 O ALA A 62 22.266 3.298 -7.214 1.00 50.10 O ATOM 981 CB ALA A 62 20.224 1.090 -8.690 1.00 41.43 C ATOM 0 H ALA A 62 19.437 2.749 -10.340 1.00 21.02 H new ATOM 0 HA ALA A 62 19.825 2.838 -7.523 1.00 45.22 H new ATOM 0 HB1 ALA A 62 20.711 0.555 -7.874 1.00 41.43 H new ATOM 0 HB2 ALA A 62 19.173 0.806 -8.734 1.00 41.43 H new ATOM 0 HB3 ALA A 62 20.708 0.833 -9.632 1.00 41.43 H new ATOM 987 N ALA A 63 22.518 3.001 -9.430 1.00 11.12 N ATOM 988 CA ALA A 63 23.928 3.372 -9.430 1.00 55.21 C ATOM 989 C ALA A 63 24.135 4.743 -8.794 1.00 75.34 C ATOM 990 O ALA A 63 25.122 4.972 -8.095 1.00 35.20 O ATOM 991 CB ALA A 63 24.477 3.358 -10.849 1.00 53.10 C ATOM 0 H ALA A 63 22.147 2.752 -10.347 1.00 11.12 H new ATOM 0 HA ALA A 63 24.471 2.639 -8.834 1.00 55.21 H new ATOM 0 HB1 ALA A 63 25.531 3.637 -10.834 1.00 53.10 H new ATOM 0 HB2 ALA A 63 24.372 2.358 -11.270 1.00 53.10 H new ATOM 0 HB3 ALA A 63 23.922 4.069 -11.461 1.00 53.10 H new ATOM 997 N LYS A 64 23.198 5.652 -9.042 1.00 41.22 N ATOM 998 CA LYS A 64 23.277 7.001 -8.494 1.00 34.01 C ATOM 999 C LYS A 64 23.295 6.968 -6.969 1.00 42.20 C ATOM 1000 O LYS A 64 23.722 7.924 -6.323 1.00 51.41 O ATOM 1001 CB LYS A 64 22.095 7.842 -8.982 1.00 72.21 C ATOM 1002 CG LYS A 64 22.304 8.443 -10.361 1.00 64.53 C ATOM 1003 CD LYS A 64 22.425 9.956 -10.298 1.00 23.11 C ATOM 1004 CE LYS A 64 23.798 10.385 -9.802 1.00 54.11 C ATOM 1005 NZ LYS A 64 24.214 11.692 -10.383 1.00 73.53 N ATOM 0 H LYS A 64 22.375 5.479 -9.619 1.00 41.22 H new ATOM 0 HA LYS A 64 24.206 7.454 -8.842 1.00 34.01 H new ATOM 0 HB2 LYS A 64 21.200 7.220 -8.998 1.00 72.21 H new ATOM 0 HB3 LYS A 64 21.913 8.646 -8.269 1.00 72.21 H new ATOM 0 HG2 LYS A 64 23.205 8.024 -10.809 1.00 64.53 H new ATOM 0 HG3 LYS A 64 21.470 8.171 -11.008 1.00 64.53 H new ATOM 0 HD2 LYS A 64 22.246 10.378 -11.287 1.00 23.11 H new ATOM 0 HD3 LYS A 64 21.657 10.356 -9.637 1.00 23.11 H new ATOM 0 HE2 LYS A 64 23.785 10.459 -8.715 1.00 54.11 H new ATOM 0 HE3 LYS A 64 24.532 9.622 -10.061 1.00 54.11 H new ATOM 0 HZ1 LYS A 64 25.154 11.949 -10.021 1.00 73.53 H new ATOM 0 HZ2 LYS A 64 24.251 11.615 -11.419 1.00 73.53 H new ATOM 0 HZ3 LYS A 64 23.527 12.425 -10.115 1.00 73.53 H new ATOM 1019 N GLY A 65 22.831 5.860 -6.399 1.00 53.15 N ATOM 1020 CA GLY A 65 22.804 5.723 -4.955 1.00 4.51 C ATOM 1021 C GLY A 65 21.404 5.499 -4.419 1.00 42.32 C ATOM 1022 O GLY A 65 21.143 5.718 -3.237 1.00 34.23 O ATOM 0 H GLY A 65 22.473 5.054 -6.912 1.00 53.15 H new ATOM 0 HA2 GLY A 65 23.440 4.888 -4.661 1.00 4.51 H new ATOM 0 HA3 GLY A 65 23.224 6.620 -4.500 1.00 4.51 H new ATOM 1026 N ALA A 66 20.501 5.064 -5.292 1.00 22.35 N ATOM 1027 CA ALA A 66 19.121 4.810 -4.899 1.00 75.23 C ATOM 1028 C ALA A 66 18.534 6.003 -4.153 1.00 34.12 C ATOM 1029 O ALA A 66 18.247 5.920 -2.958 1.00 54.24 O ATOM 1030 CB ALA A 66 19.038 3.556 -4.042 1.00 34.41 C ATOM 0 H ALA A 66 20.701 4.880 -6.275 1.00 22.35 H new ATOM 0 HA ALA A 66 18.534 4.657 -5.805 1.00 75.23 H new ATOM 0 HB1 ALA A 66 18.001 3.379 -3.756 1.00 34.41 H new ATOM 0 HB2 ALA A 66 19.409 2.702 -4.609 1.00 34.41 H new ATOM 0 HB3 ALA A 66 19.644 3.687 -3.146 1.00 34.41 H new ATOM 1036 N TYR A 67 18.358 7.111 -4.864 1.00 4.44 N ATOM 1037 CA TYR A 67 17.809 8.323 -4.267 1.00 75.11 C ATOM 1038 C TYR A 67 16.522 8.020 -3.506 1.00 32.55 C ATOM 1039 O TYR A 67 15.466 7.818 -4.103 1.00 53.25 O ATOM 1040 CB TYR A 67 17.540 9.372 -5.347 1.00 73.35 C ATOM 1041 CG TYR A 67 17.926 10.775 -4.939 1.00 4.14 C ATOM 1042 CD1 TYR A 67 17.512 11.305 -3.723 1.00 55.23 C ATOM 1043 CD2 TYR A 67 18.708 11.571 -5.768 1.00 31.33 C ATOM 1044 CE1 TYR A 67 17.862 12.587 -3.346 1.00 51.12 C ATOM 1045 CE2 TYR A 67 19.064 12.853 -5.398 1.00 43.21 C ATOM 1046 CZ TYR A 67 18.639 13.357 -4.187 1.00 15.02 C ATOM 1047 OH TYR A 67 18.991 14.634 -3.814 1.00 71.02 O ATOM 0 H TYR A 67 18.587 7.195 -5.854 1.00 4.44 H new ATOM 0 HA TYR A 67 18.543 8.715 -3.563 1.00 75.11 H new ATOM 0 HB2 TYR A 67 18.089 9.101 -6.249 1.00 73.35 H new ATOM 0 HB3 TYR A 67 16.480 9.355 -5.602 1.00 73.35 H new ATOM 0 HD1 TYR A 67 16.906 10.704 -3.061 1.00 55.23 H new ATOM 0 HD2 TYR A 67 19.043 11.180 -6.718 1.00 31.33 H new ATOM 0 HE1 TYR A 67 17.529 12.984 -2.398 1.00 51.12 H new ATOM 0 HE2 TYR A 67 19.672 13.458 -6.054 1.00 43.21 H new ATOM 0 HH TYR A 67 19.540 15.041 -4.517 1.00 71.02 H new ATOM 1057 N GLY A 68 16.620 7.989 -2.180 1.00 15.32 N ATOM 1058 CA GLY A 68 15.457 7.711 -1.356 1.00 63.35 C ATOM 1059 C GLY A 68 14.488 8.875 -1.309 1.00 0.13 C ATOM 1060 O GLY A 68 14.461 9.707 -2.216 1.00 75.44 O ATOM 0 H GLY A 68 17.483 8.151 -1.662 1.00 15.32 H new ATOM 0 HA2 GLY A 68 14.944 6.831 -1.743 1.00 63.35 H new ATOM 0 HA3 GLY A 68 15.782 7.472 -0.343 1.00 63.35 H new ATOM 1064 N TYR A 69 13.690 8.935 -0.249 1.00 34.21 N ATOM 1065 CA TYR A 69 12.711 10.004 -0.088 1.00 60.34 C ATOM 1066 C TYR A 69 11.753 10.048 -1.275 1.00 20.10 C ATOM 1067 O TYR A 69 12.029 10.694 -2.286 1.00 70.43 O ATOM 1068 CB TYR A 69 13.417 11.352 0.061 1.00 5.15 C ATOM 1069 CG TYR A 69 12.762 12.271 1.068 1.00 72.33 C ATOM 1070 CD1 TYR A 69 11.388 12.242 1.273 1.00 70.43 C ATOM 1071 CD2 TYR A 69 13.517 13.167 1.814 1.00 13.22 C ATOM 1072 CE1 TYR A 69 10.785 13.080 2.190 1.00 32.44 C ATOM 1073 CE2 TYR A 69 12.922 14.008 2.735 1.00 22.02 C ATOM 1074 CZ TYR A 69 11.556 13.961 2.919 1.00 20.23 C ATOM 1075 OH TYR A 69 10.959 14.796 3.835 1.00 1.25 O ATOM 0 H TYR A 69 13.702 8.256 0.512 1.00 34.21 H new ATOM 0 HA TYR A 69 12.134 9.801 0.815 1.00 60.34 H new ATOM 0 HB2 TYR A 69 14.452 11.180 0.358 1.00 5.15 H new ATOM 0 HB3 TYR A 69 13.442 11.849 -0.909 1.00 5.15 H new ATOM 0 HD1 TYR A 69 10.781 11.552 0.705 1.00 70.43 H new ATOM 0 HD2 TYR A 69 14.587 13.207 1.672 1.00 13.22 H new ATOM 0 HE1 TYR A 69 9.715 13.046 2.336 1.00 32.44 H new ATOM 0 HE2 TYR A 69 13.523 14.698 3.308 1.00 22.02 H new ATOM 0 HH TYR A 69 11.642 15.353 4.264 1.00 1.25 H new ATOM 1085 N ASP A 70 10.626 9.357 -1.143 1.00 1.22 N ATOM 1086 CA ASP A 70 9.625 9.318 -2.202 1.00 73.23 C ATOM 1087 C ASP A 70 8.217 9.249 -1.618 1.00 4.34 C ATOM 1088 O ASP A 70 7.899 8.347 -0.843 1.00 73.34 O ATOM 1089 CB ASP A 70 9.868 8.118 -3.119 1.00 44.22 C ATOM 1090 CG ASP A 70 9.751 8.478 -4.587 1.00 52.22 C ATOM 1091 OD1 ASP A 70 8.879 9.305 -4.927 1.00 30.11 O ATOM 1092 OD2 ASP A 70 10.530 7.933 -5.397 1.00 21.54 O ATOM 0 H ASP A 70 10.383 8.816 -0.313 1.00 1.22 H new ATOM 0 HA ASP A 70 9.713 10.235 -2.784 1.00 73.23 H new ATOM 0 HB2 ASP A 70 10.861 7.712 -2.926 1.00 44.22 H new ATOM 0 HB3 ASP A 70 9.150 7.332 -2.882 1.00 44.22 H new ATOM 1097 N VAL A 71 7.379 10.210 -1.992 1.00 52.25 N ATOM 1098 CA VAL A 71 6.005 10.259 -1.506 1.00 4.24 C ATOM 1099 C VAL A 71 5.206 9.056 -1.993 1.00 42.02 C ATOM 1100 O VAL A 71 4.241 8.640 -1.354 1.00 13.04 O ATOM 1101 CB VAL A 71 5.296 11.550 -1.956 1.00 72.22 C ATOM 1102 CG1 VAL A 71 5.056 11.531 -3.458 1.00 42.12 C ATOM 1103 CG2 VAL A 71 3.987 11.729 -1.201 1.00 43.35 C ATOM 0 H VAL A 71 7.627 10.966 -2.630 1.00 52.25 H new ATOM 0 HA VAL A 71 6.054 10.241 -0.417 1.00 4.24 H new ATOM 0 HB VAL A 71 5.941 12.398 -1.726 1.00 72.22 H new ATOM 0 HG11 VAL A 71 4.554 12.451 -3.758 1.00 42.12 H new ATOM 0 HG12 VAL A 71 6.011 11.452 -3.978 1.00 42.12 H new ATOM 0 HG13 VAL A 71 4.431 10.676 -3.716 1.00 42.12 H new ATOM 0 HG21 VAL A 71 3.499 12.646 -1.531 1.00 43.35 H new ATOM 0 HG22 VAL A 71 3.334 10.879 -1.399 1.00 43.35 H new ATOM 0 HG23 VAL A 71 4.189 11.790 -0.132 1.00 43.35 H new ATOM 1113 N GLN A 72 5.616 8.502 -3.130 1.00 31.45 N ATOM 1114 CA GLN A 72 4.937 7.345 -3.703 1.00 42.51 C ATOM 1115 C GLN A 72 5.721 6.786 -4.886 1.00 32.43 C ATOM 1116 O GLN A 72 5.149 6.470 -5.930 1.00 15.31 O ATOM 1117 CB GLN A 72 3.524 7.726 -4.147 1.00 34.21 C ATOM 1118 CG GLN A 72 2.502 6.620 -3.937 1.00 12.14 C ATOM 1119 CD GLN A 72 1.537 6.924 -2.807 1.00 61.13 C ATOM 1120 OE1 GLN A 72 0.377 7.264 -3.041 1.00 41.51 O ATOM 1121 NE2 GLN A 72 2.012 6.802 -1.573 1.00 44.04 N ATOM 0 H GLN A 72 6.414 8.835 -3.672 1.00 31.45 H new ATOM 0 HA GLN A 72 4.874 6.574 -2.935 1.00 42.51 H new ATOM 0 HB2 GLN A 72 3.206 8.612 -3.598 1.00 34.21 H new ATOM 0 HB3 GLN A 72 3.544 7.995 -5.203 1.00 34.21 H new ATOM 0 HG2 GLN A 72 1.940 6.470 -4.859 1.00 12.14 H new ATOM 0 HG3 GLN A 72 3.022 5.686 -3.725 1.00 12.14 H new ATOM 0 HE21 GLN A 72 2.980 6.517 -1.425 1.00 44.04 H new ATOM 0 HE22 GLN A 72 1.409 6.993 -0.773 1.00 44.04 H new ATOM 1130 N LEU A 73 7.033 6.665 -4.716 1.00 33.35 N ATOM 1131 CA LEU A 73 7.896 6.143 -5.769 1.00 70.33 C ATOM 1132 C LEU A 73 7.653 6.876 -7.085 1.00 25.31 C ATOM 1133 O LEU A 73 7.626 6.264 -8.154 1.00 10.25 O ATOM 1134 CB LEU A 73 7.657 4.643 -5.956 1.00 55.50 C ATOM 1135 CG LEU A 73 7.895 3.767 -4.726 1.00 4.32 C ATOM 1136 CD1 LEU A 73 9.156 4.204 -3.996 1.00 64.34 C ATOM 1137 CD2 LEU A 73 6.693 3.817 -3.794 1.00 5.52 C ATOM 0 H LEU A 73 7.522 6.921 -3.859 1.00 33.35 H new ATOM 0 HA LEU A 73 8.931 6.305 -5.469 1.00 70.33 H new ATOM 0 HB2 LEU A 73 6.629 4.498 -6.287 1.00 55.50 H new ATOM 0 HB3 LEU A 73 8.303 4.290 -6.759 1.00 55.50 H new ATOM 0 HG LEU A 73 8.029 2.737 -5.058 1.00 4.32 H new ATOM 0 HD11 LEU A 73 9.310 3.569 -3.123 1.00 64.34 H new ATOM 0 HD12 LEU A 73 10.013 4.115 -4.664 1.00 64.34 H new ATOM 0 HD13 LEU A 73 9.051 5.241 -3.677 1.00 64.34 H new ATOM 0 HD21 LEU A 73 6.881 3.187 -2.924 1.00 5.52 H new ATOM 0 HD22 LEU A 73 6.527 4.844 -3.469 1.00 5.52 H new ATOM 0 HD23 LEU A 73 5.810 3.455 -4.320 1.00 5.52 H new ATOM 1149 N THR A 74 7.480 8.191 -7.000 1.00 51.13 N ATOM 1150 CA THR A 74 7.241 9.008 -8.183 1.00 40.13 C ATOM 1151 C THR A 74 8.465 9.031 -9.092 1.00 11.22 C ATOM 1152 O THR A 74 8.353 9.260 -10.297 1.00 20.12 O ATOM 1153 CB THR A 74 6.871 10.454 -7.802 1.00 63.02 C ATOM 1154 OG1 THR A 74 5.765 10.453 -6.893 1.00 1.40 O ATOM 1155 CG2 THR A 74 6.517 11.266 -9.039 1.00 23.10 C ATOM 0 H THR A 74 7.501 8.713 -6.124 1.00 51.13 H new ATOM 0 HA THR A 74 6.405 8.555 -8.716 1.00 40.13 H new ATOM 0 HB THR A 74 7.735 10.912 -7.321 1.00 63.02 H new ATOM 0 HG1 THR A 74 5.537 11.376 -6.654 1.00 1.40 H new ATOM 0 HG21 THR A 74 6.259 12.283 -8.745 1.00 23.10 H new ATOM 0 HG22 THR A 74 7.371 11.289 -9.716 1.00 23.10 H new ATOM 0 HG23 THR A 74 5.667 10.808 -9.544 1.00 23.10 H new ATOM 1163 N THR A 75 9.635 8.792 -8.507 1.00 51.23 N ATOM 1164 CA THR A 75 10.880 8.786 -9.264 1.00 43.02 C ATOM 1165 C THR A 75 10.883 7.676 -10.309 1.00 50.44 C ATOM 1166 O THR A 75 11.183 7.913 -11.480 1.00 40.14 O ATOM 1167 CB THR A 75 12.099 8.607 -8.339 1.00 51.42 C ATOM 1168 OG1 THR A 75 11.992 7.374 -7.620 1.00 75.11 O ATOM 1169 CG2 THR A 75 12.208 9.765 -7.358 1.00 34.32 C ATOM 0 H THR A 75 9.746 8.600 -7.511 1.00 51.23 H new ATOM 0 HA THR A 75 10.950 9.752 -9.764 1.00 43.02 H new ATOM 0 HB THR A 75 12.997 8.589 -8.957 1.00 51.42 H new ATOM 0 HG1 THR A 75 11.357 7.480 -6.881 1.00 75.11 H new ATOM 0 HG21 THR A 75 13.076 9.617 -6.715 1.00 34.32 H new ATOM 0 HG22 THR A 75 12.319 10.699 -7.909 1.00 34.32 H new ATOM 0 HG23 THR A 75 11.307 9.810 -6.746 1.00 34.32 H new ATOM 1177 N LEU A 76 10.547 6.465 -9.880 1.00 54.12 N ATOM 1178 CA LEU A 76 10.509 5.318 -10.780 1.00 64.51 C ATOM 1179 C LEU A 76 9.297 5.389 -11.703 1.00 63.53 C ATOM 1180 O LEU A 76 9.383 5.056 -12.886 1.00 2.43 O ATOM 1181 CB LEU A 76 10.478 4.016 -9.977 1.00 72.23 C ATOM 1182 CG LEU A 76 11.590 3.012 -10.282 1.00 61.15 C ATOM 1183 CD1 LEU A 76 12.220 2.505 -8.994 1.00 40.24 C ATOM 1184 CD2 LEU A 76 11.050 1.852 -11.107 1.00 23.05 C ATOM 0 H LEU A 76 10.297 6.252 -8.914 1.00 54.12 H new ATOM 0 HA LEU A 76 11.410 5.339 -11.393 1.00 64.51 H new ATOM 0 HB2 LEU A 76 10.522 4.265 -8.917 1.00 72.23 H new ATOM 0 HB3 LEU A 76 9.519 3.529 -10.150 1.00 72.23 H new ATOM 0 HG LEU A 76 12.360 3.518 -10.864 1.00 61.15 H new ATOM 0 HD11 LEU A 76 13.009 1.792 -9.231 1.00 40.24 H new ATOM 0 HD12 LEU A 76 12.643 3.344 -8.441 1.00 40.24 H new ATOM 0 HD13 LEU A 76 11.460 2.016 -8.385 1.00 40.24 H new ATOM 0 HD21 LEU A 76 11.855 1.147 -11.315 1.00 23.05 H new ATOM 0 HD22 LEU A 76 10.260 1.347 -10.551 1.00 23.05 H new ATOM 0 HD23 LEU A 76 10.647 2.230 -12.047 1.00 23.05 H new ATOM 1196 N LYS A 77 8.168 5.826 -11.156 1.00 62.31 N ATOM 1197 CA LYS A 77 6.938 5.945 -11.930 1.00 22.40 C ATOM 1198 C LYS A 77 7.082 7.000 -13.022 1.00 1.02 C ATOM 1199 O LYS A 77 6.543 6.849 -14.118 1.00 1.14 O ATOM 1200 CB LYS A 77 5.766 6.301 -11.012 1.00 44.25 C ATOM 1201 CG LYS A 77 4.582 5.359 -11.144 1.00 3.20 C ATOM 1202 CD LYS A 77 4.520 4.377 -9.987 1.00 21.35 C ATOM 1203 CE LYS A 77 5.453 3.196 -10.207 1.00 72.32 C ATOM 1204 NZ LYS A 77 6.847 3.503 -9.782 1.00 74.32 N ATOM 0 H LYS A 77 8.079 6.104 -10.179 1.00 62.31 H new ATOM 0 HA LYS A 77 6.741 4.983 -12.403 1.00 22.40 H new ATOM 0 HB2 LYS A 77 6.111 6.295 -9.978 1.00 44.25 H new ATOM 0 HB3 LYS A 77 5.438 7.317 -11.233 1.00 44.25 H new ATOM 0 HG2 LYS A 77 3.659 5.937 -11.182 1.00 3.20 H new ATOM 0 HG3 LYS A 77 4.654 4.812 -12.084 1.00 3.20 H new ATOM 0 HD2 LYS A 77 4.788 4.886 -9.061 1.00 21.35 H new ATOM 0 HD3 LYS A 77 3.498 4.017 -9.868 1.00 21.35 H new ATOM 0 HE2 LYS A 77 5.085 2.334 -9.650 1.00 72.32 H new ATOM 0 HE3 LYS A 77 5.447 2.920 -11.262 1.00 72.32 H new ATOM 0 HZ1 LYS A 77 7.471 3.508 -10.614 1.00 74.32 H new ATOM 0 HZ2 LYS A 77 6.873 4.437 -9.325 1.00 74.32 H new ATOM 0 HZ3 LYS A 77 7.172 2.779 -9.110 1.00 74.32 H new ATOM 1218 N GLU A 78 7.814 8.067 -12.715 1.00 35.23 N ATOM 1219 CA GLU A 78 8.028 9.146 -13.671 1.00 50.24 C ATOM 1220 C GLU A 78 9.057 8.744 -14.724 1.00 23.02 C ATOM 1221 O GLU A 78 9.059 9.268 -15.838 1.00 31.21 O ATOM 1222 CB GLU A 78 8.490 10.414 -12.949 1.00 75.40 C ATOM 1223 CG GLU A 78 8.662 11.610 -13.869 1.00 53.34 C ATOM 1224 CD GLU A 78 10.100 12.083 -13.949 1.00 65.43 C ATOM 1225 OE1 GLU A 78 10.615 12.590 -12.931 1.00 22.45 O ATOM 1226 OE2 GLU A 78 10.711 11.946 -15.030 1.00 23.44 O ATOM 0 H GLU A 78 8.268 8.206 -11.812 1.00 35.23 H new ATOM 0 HA GLU A 78 7.080 9.346 -14.171 1.00 50.24 H new ATOM 0 HB2 GLU A 78 7.766 10.664 -12.173 1.00 75.40 H new ATOM 0 HB3 GLU A 78 9.437 10.212 -12.448 1.00 75.40 H new ATOM 0 HG2 GLU A 78 8.314 11.348 -14.868 1.00 53.34 H new ATOM 0 HG3 GLU A 78 8.034 12.428 -13.517 1.00 53.34 H new ATOM 1233 N ASP A 79 9.931 7.811 -14.362 1.00 2.44 N ATOM 1234 CA ASP A 79 10.966 7.338 -15.274 1.00 31.34 C ATOM 1235 C ASP A 79 10.392 6.343 -16.277 1.00 74.42 C ATOM 1236 O ASP A 79 10.643 6.443 -17.478 1.00 71.15 O ATOM 1237 CB ASP A 79 12.108 6.689 -14.490 1.00 43.23 C ATOM 1238 CG ASP A 79 13.255 7.648 -14.239 1.00 44.01 C ATOM 1239 OD1 ASP A 79 13.926 8.039 -15.217 1.00 2.11 O ATOM 1240 OD2 ASP A 79 13.483 8.007 -13.064 1.00 61.35 O ATOM 0 H ASP A 79 9.943 7.367 -13.444 1.00 2.44 H new ATOM 0 HA ASP A 79 11.354 8.197 -15.822 1.00 31.34 H new ATOM 0 HB2 ASP A 79 11.728 6.323 -13.536 1.00 43.23 H new ATOM 0 HB3 ASP A 79 12.476 5.823 -15.040 1.00 43.23 H new ATOM 1245 N ILE A 80 9.621 5.383 -15.776 1.00 61.03 N ATOM 1246 CA ILE A 80 9.012 4.370 -16.629 1.00 53.12 C ATOM 1247 C ILE A 80 8.093 5.006 -17.667 1.00 60.22 C ATOM 1248 O ILE A 80 8.077 4.599 -18.829 1.00 21.10 O ATOM 1249 CB ILE A 80 8.206 3.349 -15.804 1.00 2.53 C ATOM 1250 CG1 ILE A 80 7.534 2.331 -16.727 1.00 25.33 C ATOM 1251 CG2 ILE A 80 7.169 4.061 -14.947 1.00 43.05 C ATOM 1252 CD1 ILE A 80 8.511 1.552 -17.580 1.00 23.14 C ATOM 0 H ILE A 80 9.404 5.286 -14.784 1.00 61.03 H new ATOM 0 HA ILE A 80 9.827 3.853 -17.136 1.00 53.12 H new ATOM 0 HB ILE A 80 8.890 2.816 -15.144 1.00 2.53 H new ATOM 0 HG12 ILE A 80 6.954 1.633 -16.124 1.00 25.33 H new ATOM 0 HG13 ILE A 80 6.831 2.851 -17.377 1.00 25.33 H new ATOM 0 HG21 ILE A 80 6.607 3.326 -14.370 1.00 43.05 H new ATOM 0 HG22 ILE A 80 7.670 4.750 -14.267 1.00 43.05 H new ATOM 0 HG23 ILE A 80 6.486 4.617 -15.589 1.00 43.05 H new ATOM 0 HD11 ILE A 80 7.965 0.849 -18.209 1.00 23.14 H new ATOM 0 HD12 ILE A 80 9.074 2.241 -18.210 1.00 23.14 H new ATOM 0 HD13 ILE A 80 9.199 1.004 -16.937 1.00 23.14 H new ATOM 1264 N ARG A 81 7.330 6.007 -17.240 1.00 44.04 N ATOM 1265 CA ARG A 81 6.409 6.700 -18.133 1.00 22.00 C ATOM 1266 C ARG A 81 7.169 7.575 -19.125 1.00 51.44 C ATOM 1267 O ARG A 81 6.721 7.787 -20.253 1.00 72.32 O ATOM 1268 CB ARG A 81 5.431 7.556 -17.326 1.00 72.25 C ATOM 1269 CG ARG A 81 6.006 8.894 -16.893 1.00 43.34 C ATOM 1270 CD ARG A 81 5.677 9.992 -17.893 1.00 33.01 C ATOM 1271 NE ARG A 81 4.469 10.725 -17.522 1.00 44.31 N ATOM 1272 CZ ARG A 81 4.180 11.941 -17.974 1.00 20.44 C ATOM 1273 NH1 ARG A 81 5.006 12.555 -18.808 1.00 43.55 N ATOM 1274 NH2 ARG A 81 3.062 12.543 -17.590 1.00 54.13 N ATOM 0 H ARG A 81 7.331 6.356 -16.282 1.00 44.04 H new ATOM 0 HA ARG A 81 5.849 5.950 -18.692 1.00 22.00 H new ATOM 0 HB2 ARG A 81 4.536 7.731 -17.923 1.00 72.25 H new ATOM 0 HB3 ARG A 81 5.120 7.001 -16.441 1.00 72.25 H new ATOM 0 HG2 ARG A 81 5.610 9.162 -15.914 1.00 43.34 H new ATOM 0 HG3 ARG A 81 7.087 8.809 -16.787 1.00 43.34 H new ATOM 0 HD2 ARG A 81 6.516 10.685 -17.960 1.00 33.01 H new ATOM 0 HD3 ARG A 81 5.546 9.554 -18.883 1.00 33.01 H new ATOM 0 HE ARG A 81 3.812 10.280 -16.882 1.00 44.31 H new ATOM 0 HH11 ARG A 81 5.866 12.095 -19.105 1.00 43.55 H new ATOM 0 HH12 ARG A 81 4.782 13.488 -19.153 1.00 43.55 H new ATOM 0 HH21 ARG A 81 2.424 12.073 -16.948 1.00 54.13 H new ATOM 0 HH22 ARG A 81 2.840 13.476 -17.937 1.00 54.13 H new ATOM 1288 N LEU A 82 8.320 8.083 -18.698 1.00 60.53 N ATOM 1289 CA LEU A 82 9.143 8.936 -19.549 1.00 35.11 C ATOM 1290 C LEU A 82 9.768 8.132 -20.684 1.00 51.25 C ATOM 1291 O LEU A 82 9.820 8.589 -21.826 1.00 0.21 O ATOM 1292 CB LEU A 82 10.239 9.609 -18.721 1.00 52.35 C ATOM 1293 CG LEU A 82 11.031 10.711 -19.427 1.00 31.14 C ATOM 1294 CD1 LEU A 82 12.047 10.108 -20.385 1.00 13.24 C ATOM 1295 CD2 LEU A 82 10.092 11.653 -20.165 1.00 50.34 C ATOM 0 H LEU A 82 8.705 7.919 -17.768 1.00 60.53 H new ATOM 0 HA LEU A 82 8.501 9.703 -19.983 1.00 35.11 H new ATOM 0 HB2 LEU A 82 9.783 10.033 -17.827 1.00 52.35 H new ATOM 0 HB3 LEU A 82 10.939 8.842 -18.389 1.00 52.35 H new ATOM 0 HG LEU A 82 11.570 11.285 -18.673 1.00 31.14 H new ATOM 0 HD11 LEU A 82 12.601 10.907 -20.878 1.00 13.24 H new ATOM 0 HD12 LEU A 82 12.740 9.475 -19.830 1.00 13.24 H new ATOM 0 HD13 LEU A 82 11.530 9.509 -21.134 1.00 13.24 H new ATOM 0 HD21 LEU A 82 10.673 12.431 -20.661 1.00 50.34 H new ATOM 0 HD22 LEU A 82 9.525 11.093 -20.909 1.00 50.34 H new ATOM 0 HD23 LEU A 82 9.404 12.112 -19.455 1.00 50.34 H new ATOM 1307 N MET A 83 10.239 6.932 -20.363 1.00 63.12 N ATOM 1308 CA MET A 83 10.858 6.063 -21.358 1.00 30.03 C ATOM 1309 C MET A 83 9.840 5.627 -22.407 1.00 44.22 C ATOM 1310 O MET A 83 10.059 5.799 -23.607 1.00 35.24 O ATOM 1311 CB MET A 83 11.470 4.834 -20.682 1.00 52.05 C ATOM 1312 CG MET A 83 12.604 5.167 -19.727 1.00 1.21 C ATOM 1313 SD MET A 83 13.200 3.723 -18.826 1.00 41.42 S ATOM 1314 CE MET A 83 12.691 4.131 -17.158 1.00 74.11 C ATOM 0 H MET A 83 10.204 6.539 -19.422 1.00 63.12 H new ATOM 0 HA MET A 83 11.648 6.626 -21.856 1.00 30.03 H new ATOM 0 HB2 MET A 83 10.690 4.304 -20.136 1.00 52.05 H new ATOM 0 HB3 MET A 83 11.840 4.154 -21.449 1.00 52.05 H new ATOM 0 HG2 MET A 83 13.429 5.606 -20.288 1.00 1.21 H new ATOM 0 HG3 MET A 83 12.265 5.920 -19.015 1.00 1.21 H new ATOM 0 HE1 MET A 83 13.332 3.613 -16.445 1.00 74.11 H new ATOM 0 HE2 MET A 83 12.774 5.207 -17.005 1.00 74.11 H new ATOM 0 HE3 MET A 83 11.657 3.822 -17.007 1.00 74.11 H new ATOM 1324 N VAL A 84 8.728 5.062 -21.948 1.00 42.30 N ATOM 1325 CA VAL A 84 7.677 4.603 -22.847 1.00 73.34 C ATOM 1326 C VAL A 84 7.225 5.720 -23.781 1.00 14.11 C ATOM 1327 O VAL A 84 6.916 5.481 -24.947 1.00 41.15 O ATOM 1328 CB VAL A 84 6.458 4.078 -22.065 1.00 2.23 C ATOM 1329 CG1 VAL A 84 5.911 5.157 -21.143 1.00 14.20 C ATOM 1330 CG2 VAL A 84 5.383 3.586 -23.021 1.00 55.22 C ATOM 0 H VAL A 84 8.532 4.911 -20.958 1.00 42.30 H new ATOM 0 HA VAL A 84 8.099 3.789 -23.436 1.00 73.34 H new ATOM 0 HB VAL A 84 6.777 3.236 -21.451 1.00 2.23 H new ATOM 0 HG11 VAL A 84 5.050 4.768 -20.599 1.00 14.20 H new ATOM 0 HG12 VAL A 84 6.683 5.456 -20.435 1.00 14.20 H new ATOM 0 HG13 VAL A 84 5.607 6.021 -21.734 1.00 14.20 H new ATOM 0 HG21 VAL A 84 4.530 3.219 -22.451 1.00 55.22 H new ATOM 0 HG22 VAL A 84 5.064 4.407 -23.664 1.00 55.22 H new ATOM 0 HG23 VAL A 84 5.784 2.779 -23.635 1.00 55.22 H new ATOM 1340 N ASN A 85 7.189 6.942 -23.259 1.00 34.34 N ATOM 1341 CA ASN A 85 6.774 8.097 -24.046 1.00 0.55 C ATOM 1342 C ASN A 85 7.674 8.277 -25.264 1.00 4.20 C ATOM 1343 O ASN A 85 7.195 8.404 -26.390 1.00 34.14 O ATOM 1344 CB ASN A 85 6.802 9.363 -23.186 1.00 30.33 C ATOM 1345 CG ASN A 85 5.466 9.642 -22.524 1.00 62.12 C ATOM 1346 OD1 ASN A 85 4.413 9.510 -23.147 1.00 73.44 O ATOM 1347 ND2 ASN A 85 5.504 10.031 -21.255 1.00 64.21 N ATOM 0 H ASN A 85 7.442 7.158 -22.295 1.00 34.34 H new ATOM 0 HA ASN A 85 5.755 7.923 -24.392 1.00 0.55 H new ATOM 0 HB2 ASN A 85 7.570 9.261 -22.419 1.00 30.33 H new ATOM 0 HB3 ASN A 85 7.082 10.214 -23.806 1.00 30.33 H new ATOM 0 HD21 ASN A 85 4.637 10.234 -20.758 1.00 64.21 H new ATOM 0 HD22 ASN A 85 6.400 10.127 -20.778 1.00 64.21 H new ATOM 1354 N ASN A 86 8.983 8.286 -25.030 1.00 13.51 N ATOM 1355 CA ASN A 86 9.951 8.451 -26.108 1.00 71.52 C ATOM 1356 C ASN A 86 10.098 7.160 -26.908 1.00 23.30 C ATOM 1357 O ASN A 86 10.584 7.171 -28.040 1.00 25.45 O ATOM 1358 CB ASN A 86 11.309 8.871 -25.543 1.00 11.14 C ATOM 1359 CG ASN A 86 12.052 9.818 -26.466 1.00 35.13 C ATOM 1360 OD1 ASN A 86 11.597 10.932 -26.726 1.00 43.04 O ATOM 1361 ND2 ASN A 86 13.200 9.377 -26.965 1.00 42.13 N ATOM 0 H ASN A 86 9.397 8.181 -24.104 1.00 13.51 H new ATOM 0 HA ASN A 86 9.586 9.232 -26.775 1.00 71.52 H new ATOM 0 HB2 ASN A 86 11.164 9.351 -24.575 1.00 11.14 H new ATOM 0 HB3 ASN A 86 11.918 7.984 -25.371 1.00 11.14 H new ATOM 0 HD21 ASN A 86 13.744 9.969 -27.592 1.00 42.13 H new ATOM 0 HD22 ASN A 86 13.538 8.446 -26.721 1.00 42.13 H new ATOM 1368 N CYS A 87 9.675 6.050 -26.313 1.00 1.11 N ATOM 1369 CA CYS A 87 9.760 4.750 -26.969 1.00 51.34 C ATOM 1370 C CYS A 87 8.913 4.725 -28.237 1.00 53.44 C ATOM 1371 O CYS A 87 9.441 4.639 -29.347 1.00 15.44 O ATOM 1372 CB CYS A 87 9.306 3.644 -26.016 1.00 71.24 C ATOM 1373 SG CYS A 87 9.869 1.990 -26.483 1.00 40.34 S ATOM 0 H CYS A 87 9.270 6.024 -25.377 1.00 1.11 H new ATOM 0 HA CYS A 87 10.800 4.577 -27.245 1.00 51.34 H new ATOM 0 HB2 CYS A 87 9.670 3.871 -25.014 1.00 71.24 H new ATOM 0 HB3 CYS A 87 8.217 3.645 -25.967 1.00 71.24 H new ATOM 0 HG CYS A 87 9.437 1.124 -25.616 1.00 40.34 H new ATOM 1379 N ILE A 88 7.597 4.800 -28.065 1.00 63.43 N ATOM 1380 CA ILE A 88 6.677 4.785 -29.196 1.00 24.11 C ATOM 1381 C ILE A 88 6.806 6.058 -30.026 1.00 65.51 C ATOM 1382 O ILE A 88 6.588 6.046 -31.238 1.00 53.13 O ATOM 1383 CB ILE A 88 5.217 4.634 -28.731 1.00 52.34 C ATOM 1384 CG1 ILE A 88 4.802 5.838 -27.882 1.00 61.33 C ATOM 1385 CG2 ILE A 88 5.040 3.341 -27.949 1.00 44.33 C ATOM 1386 CD1 ILE A 88 4.066 6.903 -28.663 1.00 54.44 C ATOM 0 H ILE A 88 7.144 4.872 -27.154 1.00 63.43 H new ATOM 0 HA ILE A 88 6.945 3.925 -29.810 1.00 24.11 H new ATOM 0 HB ILE A 88 4.574 4.594 -29.610 1.00 52.34 H new ATOM 0 HG12 ILE A 88 4.168 5.495 -27.065 1.00 61.33 H new ATOM 0 HG13 ILE A 88 5.691 6.279 -27.432 1.00 61.33 H new ATOM 0 HG21 ILE A 88 4.003 3.249 -27.627 1.00 44.33 H new ATOM 0 HG22 ILE A 88 5.299 2.494 -28.584 1.00 44.33 H new ATOM 0 HG23 ILE A 88 5.691 3.352 -27.075 1.00 44.33 H new ATOM 0 HD11 ILE A 88 3.803 7.726 -27.998 1.00 54.44 H new ATOM 0 HD12 ILE A 88 4.706 7.274 -29.464 1.00 54.44 H new ATOM 0 HD13 ILE A 88 3.158 6.478 -29.091 1.00 54.44 H new ATOM 1398 N LEU A 89 7.165 7.154 -29.367 1.00 34.44 N ATOM 1399 CA LEU A 89 7.325 8.436 -30.044 1.00 23.23 C ATOM 1400 C LEU A 89 8.534 8.413 -30.974 1.00 21.42 C ATOM 1401 O LEU A 89 8.394 8.501 -32.194 1.00 34.12 O ATOM 1402 CB LEU A 89 7.478 9.561 -29.018 1.00 71.34 C ATOM 1403 CG LEU A 89 7.523 10.981 -29.582 1.00 43.24 C ATOM 1404 CD1 LEU A 89 6.327 11.786 -29.099 1.00 74.12 C ATOM 1405 CD2 LEU A 89 8.823 11.669 -29.192 1.00 24.22 C ATOM 0 H LEU A 89 7.351 7.181 -28.364 1.00 34.44 H new ATOM 0 HA LEU A 89 6.432 8.617 -30.643 1.00 23.23 H new ATOM 0 HB2 LEU A 89 6.649 9.498 -28.313 1.00 71.34 H new ATOM 0 HB3 LEU A 89 8.393 9.387 -28.452 1.00 71.34 H new ATOM 0 HG LEU A 89 7.479 10.920 -30.669 1.00 43.24 H new ATOM 0 HD11 LEU A 89 6.377 12.794 -29.511 1.00 74.12 H new ATOM 0 HD12 LEU A 89 5.407 11.304 -29.429 1.00 74.12 H new ATOM 0 HD13 LEU A 89 6.339 11.838 -28.010 1.00 74.12 H new ATOM 0 HD21 LEU A 89 8.838 12.679 -29.602 1.00 24.22 H new ATOM 0 HD22 LEU A 89 8.897 11.718 -28.106 1.00 24.22 H new ATOM 0 HD23 LEU A 89 9.667 11.104 -29.588 1.00 24.22 H new ATOM 1417 N PHE A 90 9.721 8.291 -30.390 1.00 5.35 N ATOM 1418 CA PHE A 90 10.955 8.255 -31.166 1.00 3.01 C ATOM 1419 C PHE A 90 10.970 7.055 -32.108 1.00 60.21 C ATOM 1420 O PHE A 90 11.034 7.210 -33.327 1.00 23.13 O ATOM 1421 CB PHE A 90 12.168 8.201 -30.234 1.00 52.01 C ATOM 1422 CG PHE A 90 13.384 8.882 -30.793 1.00 1.51 C ATOM 1423 CD1 PHE A 90 13.483 10.264 -30.790 1.00 53.54 C ATOM 1424 CD2 PHE A 90 14.429 8.141 -31.321 1.00 75.11 C ATOM 1425 CE1 PHE A 90 14.601 10.895 -31.304 1.00 32.25 C ATOM 1426 CE2 PHE A 90 15.549 8.766 -31.835 1.00 61.41 C ATOM 1427 CZ PHE A 90 15.635 10.144 -31.828 1.00 11.15 C ATOM 0 H PHE A 90 9.855 8.215 -29.382 1.00 5.35 H new ATOM 0 HA PHE A 90 11.005 9.165 -31.764 1.00 3.01 H new ATOM 0 HB2 PHE A 90 11.906 8.665 -29.283 1.00 52.01 H new ATOM 0 HB3 PHE A 90 12.409 7.159 -30.024 1.00 52.01 H new ATOM 0 HD1 PHE A 90 12.677 10.856 -30.381 1.00 53.54 H new ATOM 0 HD2 PHE A 90 14.367 7.063 -31.331 1.00 75.11 H new ATOM 0 HE1 PHE A 90 14.666 11.973 -31.296 1.00 32.25 H new ATOM 0 HE2 PHE A 90 16.357 8.177 -32.242 1.00 61.41 H new ATOM 0 HZ PHE A 90 16.509 10.634 -32.231 1.00 11.15 H new ATOM 1437 N ASN A 91 10.911 5.858 -31.533 1.00 55.01 N ATOM 1438 CA ASN A 91 10.918 4.631 -32.321 1.00 21.54 C ATOM 1439 C ASN A 91 10.859 3.403 -31.416 1.00 14.41 C ATOM 1440 O ASN A 91 11.852 3.030 -30.793 1.00 75.41 O ATOM 1441 CB ASN A 91 12.170 4.571 -33.198 1.00 70.32 C ATOM 1442 CG ASN A 91 11.837 4.475 -34.675 1.00 30.34 C ATOM 1443 OD1 ASN A 91 12.210 5.343 -35.464 1.00 70.51 O ATOM 1444 ND2 ASN A 91 11.131 3.416 -35.054 1.00 61.10 N ATOM 0 H ASN A 91 10.858 5.712 -30.525 1.00 55.01 H new ATOM 0 HA ASN A 91 10.034 4.634 -32.959 1.00 21.54 H new ATOM 0 HB2 ASN A 91 12.777 5.459 -33.022 1.00 70.32 H new ATOM 0 HB3 ASN A 91 12.773 3.711 -32.908 1.00 70.32 H new ATOM 0 HD21 ASN A 91 10.876 3.297 -36.035 1.00 61.10 H new ATOM 0 HD22 ASN A 91 10.843 2.721 -34.365 1.00 61.10 H new ATOM 1451 N GLY A 92 9.686 2.780 -31.349 1.00 50.13 N ATOM 1452 CA GLY A 92 9.518 1.602 -30.519 1.00 64.42 C ATOM 1453 C GLY A 92 8.423 0.685 -31.028 1.00 3.13 C ATOM 1454 O GLY A 92 8.702 -0.371 -31.594 1.00 41.05 O ATOM 0 H GLY A 92 8.849 3.070 -31.855 1.00 50.13 H new ATOM 0 HA2 GLY A 92 10.458 1.052 -30.479 1.00 64.42 H new ATOM 0 HA3 GLY A 92 9.285 1.910 -29.500 1.00 64.42 H new ATOM 1458 N ALA A 93 7.174 1.089 -30.823 1.00 73.24 N ATOM 1459 CA ALA A 93 6.033 0.296 -31.266 1.00 0.44 C ATOM 1460 C ALA A 93 5.510 0.790 -32.611 1.00 25.53 C ATOM 1461 O ALA A 93 5.694 0.134 -33.636 1.00 20.04 O ATOM 1462 CB ALA A 93 4.927 0.335 -30.221 1.00 61.23 C ATOM 0 H ALA A 93 6.926 1.960 -30.353 1.00 73.24 H new ATOM 0 HA ALA A 93 6.364 -0.735 -31.391 1.00 0.44 H new ATOM 0 HB1 ALA A 93 4.081 -0.261 -30.564 1.00 61.23 H new ATOM 0 HB2 ALA A 93 5.300 -0.072 -29.281 1.00 61.23 H new ATOM 0 HB3 ALA A 93 4.607 1.366 -30.069 1.00 61.23 H new ATOM 1468 N GLU A 94 4.858 1.948 -32.598 1.00 63.15 N ATOM 1469 CA GLU A 94 4.308 2.527 -33.818 1.00 61.14 C ATOM 1470 C GLU A 94 3.321 1.568 -34.479 1.00 3.14 C ATOM 1471 O GLU A 94 3.031 1.681 -35.669 1.00 12.33 O ATOM 1472 CB GLU A 94 5.432 2.873 -34.797 1.00 41.12 C ATOM 1473 CG GLU A 94 5.251 4.218 -35.481 1.00 73.55 C ATOM 1474 CD GLU A 94 6.266 5.247 -35.024 1.00 34.15 C ATOM 1475 OE1 GLU A 94 6.014 5.914 -33.999 1.00 31.05 O ATOM 1476 OE2 GLU A 94 7.312 5.385 -35.691 1.00 23.31 O ATOM 0 H GLU A 94 4.698 2.503 -31.757 1.00 63.15 H new ATOM 0 HA GLU A 94 3.777 3.440 -33.548 1.00 61.14 H new ATOM 0 HB2 GLU A 94 6.382 2.872 -34.262 1.00 41.12 H new ATOM 0 HB3 GLU A 94 5.493 2.094 -35.557 1.00 41.12 H new ATOM 0 HG2 GLU A 94 5.333 4.087 -36.560 1.00 73.55 H new ATOM 0 HG3 GLU A 94 4.246 4.591 -35.281 1.00 73.55 H new ATOM 1483 N GLY A 95 2.810 0.623 -33.696 1.00 35.11 N ATOM 1484 CA GLY A 95 1.862 -0.342 -34.221 1.00 72.51 C ATOM 1485 C GLY A 95 1.573 -1.463 -33.242 1.00 53.10 C ATOM 1486 O GLY A 95 0.490 -2.048 -33.260 1.00 63.01 O ATOM 0 H GLY A 95 3.036 0.509 -32.708 1.00 35.11 H new ATOM 0 HA2 GLY A 95 0.931 0.167 -34.471 1.00 72.51 H new ATOM 0 HA3 GLY A 95 2.253 -0.764 -35.147 1.00 72.51 H new ATOM 1490 N ALA A 96 2.544 -1.764 -32.386 1.00 14.43 N ATOM 1491 CA ALA A 96 2.388 -2.821 -31.395 1.00 33.12 C ATOM 1492 C ALA A 96 2.591 -2.284 -29.982 1.00 60.02 C ATOM 1493 O ALA A 96 3.521 -2.687 -29.282 1.00 54.33 O ATOM 1494 CB ALA A 96 3.362 -3.955 -31.676 1.00 23.34 C ATOM 0 H ALA A 96 3.447 -1.291 -32.359 1.00 14.43 H new ATOM 0 HA ALA A 96 1.370 -3.205 -31.466 1.00 33.12 H new ATOM 0 HB1 ALA A 96 3.235 -4.738 -30.928 1.00 23.34 H new ATOM 0 HB2 ALA A 96 3.167 -4.365 -32.667 1.00 23.34 H new ATOM 0 HB3 ALA A 96 4.383 -3.576 -31.634 1.00 23.34 H new ATOM 1500 N TYR A 97 1.717 -1.373 -29.569 1.00 50.03 N ATOM 1501 CA TYR A 97 1.803 -0.778 -28.241 1.00 32.32 C ATOM 1502 C TYR A 97 1.890 -1.857 -27.166 1.00 23.24 C ATOM 1503 O TYR A 97 2.481 -1.647 -26.107 1.00 21.43 O ATOM 1504 CB TYR A 97 0.591 0.119 -27.981 1.00 64.25 C ATOM 1505 CG TYR A 97 -0.732 -0.607 -28.080 1.00 45.31 C ATOM 1506 CD1 TYR A 97 -1.245 -1.305 -26.994 1.00 75.34 C ATOM 1507 CD2 TYR A 97 -1.467 -0.595 -29.259 1.00 10.43 C ATOM 1508 CE1 TYR A 97 -2.453 -1.970 -27.080 1.00 34.32 C ATOM 1509 CE2 TYR A 97 -2.676 -1.255 -29.353 1.00 34.42 C ATOM 1510 CZ TYR A 97 -3.165 -1.942 -28.261 1.00 13.01 C ATOM 1511 OH TYR A 97 -4.369 -2.603 -28.351 1.00 40.30 O ATOM 0 H TYR A 97 0.941 -1.030 -30.135 1.00 50.03 H new ATOM 0 HA TYR A 97 2.709 -0.174 -28.199 1.00 32.32 H new ATOM 0 HB2 TYR A 97 0.681 0.559 -26.988 1.00 64.25 H new ATOM 0 HB3 TYR A 97 0.599 0.942 -28.696 1.00 64.25 H new ATOM 0 HD1 TYR A 97 -0.691 -1.328 -26.067 1.00 75.34 H new ATOM 0 HD2 TYR A 97 -1.086 -0.060 -30.117 1.00 10.43 H new ATOM 0 HE1 TYR A 97 -2.838 -2.509 -26.227 1.00 34.32 H new ATOM 0 HE2 TYR A 97 -3.236 -1.234 -30.276 1.00 34.42 H new ATOM 0 HH TYR A 97 -4.742 -2.483 -29.249 1.00 40.30 H new ATOM 1521 N ALA A 98 1.298 -3.013 -27.447 1.00 13.01 N ATOM 1522 CA ALA A 98 1.310 -4.127 -26.507 1.00 2.45 C ATOM 1523 C ALA A 98 2.735 -4.487 -26.101 1.00 4.42 C ATOM 1524 O ALA A 98 2.976 -4.947 -24.984 1.00 53.45 O ATOM 1525 CB ALA A 98 0.610 -5.335 -27.110 1.00 70.02 C ATOM 0 H ALA A 98 0.804 -3.203 -28.319 1.00 13.01 H new ATOM 0 HA ALA A 98 0.771 -3.819 -25.611 1.00 2.45 H new ATOM 0 HB1 ALA A 98 0.627 -6.159 -26.397 1.00 70.02 H new ATOM 0 HB2 ALA A 98 -0.423 -5.078 -27.343 1.00 70.02 H new ATOM 0 HB3 ALA A 98 1.124 -5.635 -28.023 1.00 70.02 H new ATOM 1531 N ASP A 99 3.677 -4.275 -27.014 1.00 73.10 N ATOM 1532 CA ASP A 99 5.079 -4.577 -26.751 1.00 31.21 C ATOM 1533 C ASP A 99 5.628 -3.686 -25.641 1.00 72.02 C ATOM 1534 O ASP A 99 6.410 -4.133 -24.802 1.00 54.24 O ATOM 1535 CB ASP A 99 5.909 -4.398 -28.023 1.00 73.32 C ATOM 1536 CG ASP A 99 5.738 -5.551 -28.993 1.00 14.11 C ATOM 1537 OD1 ASP A 99 4.788 -6.342 -28.813 1.00 22.42 O ATOM 1538 OD2 ASP A 99 6.552 -5.661 -29.933 1.00 24.15 O ATOM 0 H ASP A 99 3.495 -3.895 -27.943 1.00 73.10 H new ATOM 0 HA ASP A 99 5.146 -5.615 -26.426 1.00 31.21 H new ATOM 0 HB2 ASP A 99 5.621 -3.468 -28.514 1.00 73.32 H new ATOM 0 HB3 ASP A 99 6.962 -4.304 -27.756 1.00 73.32 H new ATOM 1543 N ALA A 100 5.213 -2.423 -25.644 1.00 24.21 N ATOM 1544 CA ALA A 100 5.663 -1.470 -24.637 1.00 52.42 C ATOM 1545 C ALA A 100 4.892 -1.644 -23.333 1.00 61.20 C ATOM 1546 O ALA A 100 5.370 -1.267 -22.264 1.00 20.25 O ATOM 1547 CB ALA A 100 5.513 -0.047 -25.154 1.00 43.44 C ATOM 0 H ALA A 100 4.567 -2.037 -26.332 1.00 24.21 H new ATOM 0 HA ALA A 100 6.716 -1.663 -24.435 1.00 52.42 H new ATOM 0 HB1 ALA A 100 5.853 0.655 -24.392 1.00 43.44 H new ATOM 0 HB2 ALA A 100 6.113 0.078 -26.055 1.00 43.44 H new ATOM 0 HB3 ALA A 100 4.466 0.148 -25.385 1.00 43.44 H new ATOM 1553 N ALA A 101 3.697 -2.217 -23.429 1.00 71.35 N ATOM 1554 CA ALA A 101 2.861 -2.443 -22.257 1.00 11.31 C ATOM 1555 C ALA A 101 3.435 -3.548 -21.377 1.00 64.04 C ATOM 1556 O ALA A 101 3.267 -3.535 -20.158 1.00 13.41 O ATOM 1557 CB ALA A 101 1.440 -2.787 -22.680 1.00 4.22 C ATOM 0 H ALA A 101 3.286 -2.533 -24.307 1.00 71.35 H new ATOM 0 HA ALA A 101 2.842 -1.523 -21.673 1.00 11.31 H new ATOM 0 HB1 ALA A 101 0.827 -2.953 -21.794 1.00 4.22 H new ATOM 0 HB2 ALA A 101 1.024 -1.964 -23.260 1.00 4.22 H new ATOM 0 HB3 ALA A 101 1.450 -3.691 -23.289 1.00 4.22 H new ATOM 1563 N ARG A 102 4.114 -4.504 -22.004 1.00 12.12 N ATOM 1564 CA ARG A 102 4.711 -5.618 -21.278 1.00 5.14 C ATOM 1565 C ARG A 102 5.752 -5.120 -20.279 1.00 1.02 C ATOM 1566 O ARG A 102 5.706 -5.460 -19.096 1.00 3.41 O ATOM 1567 CB ARG A 102 5.357 -6.603 -22.254 1.00 35.42 C ATOM 1568 CG ARG A 102 5.597 -7.981 -21.659 1.00 32.15 C ATOM 1569 CD ARG A 102 4.292 -8.647 -21.251 1.00 30.13 C ATOM 1570 NE ARG A 102 4.490 -10.036 -20.845 1.00 72.11 N ATOM 1571 CZ ARG A 102 3.494 -10.890 -20.636 1.00 54.34 C ATOM 1572 NH1 ARG A 102 2.237 -10.498 -20.795 1.00 33.44 N ATOM 1573 NH2 ARG A 102 3.754 -12.138 -20.269 1.00 11.10 N ATOM 0 H ARG A 102 4.264 -4.529 -23.013 1.00 12.12 H new ATOM 0 HA ARG A 102 3.919 -6.127 -20.729 1.00 5.14 H new ATOM 0 HB2 ARG A 102 4.719 -6.702 -23.132 1.00 35.42 H new ATOM 0 HB3 ARG A 102 6.308 -6.193 -22.595 1.00 35.42 H new ATOM 0 HG2 ARG A 102 6.115 -8.607 -22.386 1.00 32.15 H new ATOM 0 HG3 ARG A 102 6.250 -7.895 -20.790 1.00 32.15 H new ATOM 0 HD2 ARG A 102 3.842 -8.090 -20.429 1.00 30.13 H new ATOM 0 HD3 ARG A 102 3.590 -8.609 -22.084 1.00 30.13 H new ATOM 0 HE ARG A 102 5.445 -10.369 -20.715 1.00 72.11 H new ATOM 0 HH11 ARG A 102 2.034 -9.539 -21.078 1.00 33.44 H new ATOM 0 HH12 ARG A 102 1.474 -11.155 -20.634 1.00 33.44 H new ATOM 0 HH21 ARG A 102 4.720 -12.443 -20.147 1.00 11.10 H new ATOM 0 HH22 ARG A 102 2.988 -12.793 -20.109 1.00 11.10 H new ATOM 1587 N THR A 103 6.691 -4.313 -20.763 1.00 11.31 N ATOM 1588 CA THR A 103 7.744 -3.769 -19.914 1.00 72.41 C ATOM 1589 C THR A 103 7.167 -2.854 -18.840 1.00 72.04 C ATOM 1590 O THR A 103 7.677 -2.795 -17.721 1.00 53.03 O ATOM 1591 CB THR A 103 8.781 -2.984 -20.739 1.00 21.32 C ATOM 1592 OG1 THR A 103 9.758 -2.401 -19.870 1.00 1.15 O ATOM 1593 CG2 THR A 103 8.108 -1.893 -21.558 1.00 32.41 C ATOM 0 H THR A 103 6.744 -4.022 -21.739 1.00 11.31 H new ATOM 0 HA THR A 103 8.236 -4.617 -19.438 1.00 72.41 H new ATOM 0 HB THR A 103 9.271 -3.679 -21.422 1.00 21.32 H new ATOM 0 HG1 THR A 103 10.481 -2.013 -20.405 1.00 1.15 H new ATOM 0 HG21 THR A 103 8.861 -1.352 -22.132 1.00 32.41 H new ATOM 0 HG22 THR A 103 7.386 -2.343 -22.239 1.00 32.41 H new ATOM 0 HG23 THR A 103 7.595 -1.201 -20.890 1.00 32.41 H new ATOM 1601 N PHE A 104 6.100 -2.142 -19.187 1.00 41.55 N ATOM 1602 CA PHE A 104 5.454 -1.228 -18.252 1.00 74.15 C ATOM 1603 C PHE A 104 4.940 -1.978 -17.027 1.00 32.01 C ATOM 1604 O PHE A 104 5.237 -1.608 -15.891 1.00 74.44 O ATOM 1605 CB PHE A 104 4.298 -0.496 -18.938 1.00 71.32 C ATOM 1606 CG PHE A 104 3.508 0.380 -18.009 1.00 34.22 C ATOM 1607 CD1 PHE A 104 3.969 1.640 -17.664 1.00 13.02 C ATOM 1608 CD2 PHE A 104 2.303 -0.057 -17.480 1.00 44.45 C ATOM 1609 CE1 PHE A 104 3.244 2.448 -16.808 1.00 72.22 C ATOM 1610 CE2 PHE A 104 1.574 0.747 -16.625 1.00 33.14 C ATOM 1611 CZ PHE A 104 2.044 2.001 -16.289 1.00 2.21 C ATOM 0 H PHE A 104 5.664 -2.180 -20.109 1.00 41.55 H new ATOM 0 HA PHE A 104 6.195 -0.498 -17.925 1.00 74.15 H new ATOM 0 HB2 PHE A 104 4.695 0.114 -19.750 1.00 71.32 H new ATOM 0 HB3 PHE A 104 3.630 -1.230 -19.388 1.00 71.32 H new ATOM 0 HD1 PHE A 104 4.905 1.995 -18.068 1.00 13.02 H new ATOM 0 HD2 PHE A 104 1.930 -1.037 -17.739 1.00 44.45 H new ATOM 0 HE1 PHE A 104 3.615 3.428 -16.545 1.00 72.22 H new ATOM 0 HE2 PHE A 104 0.637 0.395 -16.220 1.00 33.14 H new ATOM 0 HZ PHE A 104 1.475 2.631 -15.622 1.00 2.21 H new ATOM 1621 N GLU A 105 4.167 -3.033 -17.267 1.00 2.12 N ATOM 1622 CA GLU A 105 3.611 -3.834 -16.183 1.00 11.23 C ATOM 1623 C GLU A 105 4.713 -4.326 -15.249 1.00 70.11 C ATOM 1624 O GLU A 105 4.553 -4.329 -14.028 1.00 63.22 O ATOM 1625 CB GLU A 105 2.834 -5.026 -16.746 1.00 3.20 C ATOM 1626 CG GLU A 105 1.583 -4.630 -17.512 1.00 31.14 C ATOM 1627 CD GLU A 105 0.330 -5.281 -16.958 1.00 1.31 C ATOM 1628 OE1 GLU A 105 0.108 -6.476 -17.240 1.00 74.51 O ATOM 1629 OE2 GLU A 105 -0.428 -4.593 -16.242 1.00 23.23 O ATOM 0 H GLU A 105 3.912 -3.352 -18.202 1.00 2.12 H new ATOM 0 HA GLU A 105 2.930 -3.203 -15.612 1.00 11.23 H new ATOM 0 HB2 GLU A 105 3.488 -5.597 -17.405 1.00 3.20 H new ATOM 0 HB3 GLU A 105 2.554 -5.686 -15.925 1.00 3.20 H new ATOM 0 HG2 GLU A 105 1.470 -3.546 -17.480 1.00 31.14 H new ATOM 0 HG3 GLU A 105 1.700 -4.908 -18.560 1.00 31.14 H new ATOM 1636 N LYS A 106 5.832 -4.743 -15.832 1.00 51.52 N ATOM 1637 CA LYS A 106 6.962 -5.237 -15.055 1.00 2.21 C ATOM 1638 C LYS A 106 7.371 -4.227 -13.987 1.00 62.31 C ATOM 1639 O LYS A 106 7.519 -4.574 -12.815 1.00 14.00 O ATOM 1640 CB LYS A 106 8.150 -5.532 -15.974 1.00 75.12 C ATOM 1641 CG LYS A 106 8.391 -7.015 -16.199 1.00 12.22 C ATOM 1642 CD LYS A 106 7.170 -7.694 -16.797 1.00 22.11 C ATOM 1643 CE LYS A 106 7.537 -8.528 -18.015 1.00 2.11 C ATOM 1644 NZ LYS A 106 7.891 -9.926 -17.644 1.00 2.12 N ATOM 0 H LYS A 106 5.980 -4.748 -16.841 1.00 51.52 H new ATOM 0 HA LYS A 106 6.655 -6.159 -14.561 1.00 2.21 H new ATOM 0 HB2 LYS A 106 7.982 -5.049 -16.937 1.00 75.12 H new ATOM 0 HB3 LYS A 106 9.049 -5.087 -15.547 1.00 75.12 H new ATOM 0 HG2 LYS A 106 9.245 -7.149 -16.863 1.00 12.22 H new ATOM 0 HG3 LYS A 106 8.646 -7.491 -15.252 1.00 12.22 H new ATOM 0 HD2 LYS A 106 6.702 -8.331 -16.046 1.00 22.11 H new ATOM 0 HD3 LYS A 106 6.435 -6.940 -17.079 1.00 22.11 H new ATOM 0 HE2 LYS A 106 6.700 -8.538 -18.713 1.00 2.11 H new ATOM 0 HE3 LYS A 106 8.378 -8.065 -18.532 1.00 2.11 H new ATOM 0 HZ1 LYS A 106 8.135 -10.462 -18.501 1.00 2.12 H new ATOM 0 HZ2 LYS A 106 8.706 -9.918 -16.997 1.00 2.12 H new ATOM 0 HZ3 LYS A 106 7.080 -10.376 -17.174 1.00 2.12 H new ATOM 1658 N PHE A 107 7.552 -2.977 -14.400 1.00 32.05 N ATOM 1659 CA PHE A 107 7.943 -1.917 -13.478 1.00 2.02 C ATOM 1660 C PHE A 107 6.981 -1.841 -12.296 1.00 51.11 C ATOM 1661 O PHE A 107 7.402 -1.724 -11.146 1.00 12.33 O ATOM 1662 CB PHE A 107 7.985 -0.571 -14.204 1.00 12.44 C ATOM 1663 CG PHE A 107 9.329 -0.247 -14.789 1.00 45.51 C ATOM 1664 CD1 PHE A 107 9.787 -0.909 -15.917 1.00 32.54 C ATOM 1665 CD2 PHE A 107 10.136 0.721 -14.212 1.00 51.35 C ATOM 1666 CE1 PHE A 107 11.024 -0.614 -16.457 1.00 0.32 C ATOM 1667 CE2 PHE A 107 11.374 1.022 -14.749 1.00 20.35 C ATOM 1668 CZ PHE A 107 11.818 0.354 -15.873 1.00 21.11 C ATOM 0 H PHE A 107 7.434 -2.673 -15.367 1.00 32.05 H new ATOM 0 HA PHE A 107 8.938 -2.149 -13.099 1.00 2.02 H new ATOM 0 HB2 PHE A 107 7.242 -0.574 -15.001 1.00 12.44 H new ATOM 0 HB3 PHE A 107 7.701 0.218 -13.507 1.00 12.44 H new ATOM 0 HD1 PHE A 107 9.169 -1.665 -16.380 1.00 32.54 H new ATOM 0 HD2 PHE A 107 9.794 1.246 -13.333 1.00 51.35 H new ATOM 0 HE1 PHE A 107 11.370 -1.140 -17.335 1.00 0.32 H new ATOM 0 HE2 PHE A 107 11.993 1.779 -14.290 1.00 20.35 H new ATOM 0 HZ PHE A 107 12.784 0.588 -16.295 1.00 21.11 H new ATOM 1678 N ALA A 108 5.686 -1.908 -12.590 1.00 24.14 N ATOM 1679 CA ALA A 108 4.664 -1.848 -11.553 1.00 31.55 C ATOM 1680 C ALA A 108 4.792 -3.022 -10.587 1.00 71.03 C ATOM 1681 O ALA A 108 4.799 -2.839 -9.370 1.00 43.24 O ATOM 1682 CB ALA A 108 3.278 -1.827 -12.179 1.00 15.40 C ATOM 0 H ALA A 108 5.321 -2.004 -13.538 1.00 24.14 H new ATOM 0 HA ALA A 108 4.810 -0.928 -10.987 1.00 31.55 H new ATOM 0 HB1 ALA A 108 2.524 -1.782 -11.393 1.00 15.40 H new ATOM 0 HB2 ALA A 108 3.183 -0.953 -12.823 1.00 15.40 H new ATOM 0 HB3 ALA A 108 3.132 -2.731 -12.770 1.00 15.40 H new ATOM 1688 N MET A 109 4.892 -4.227 -11.138 1.00 74.33 N ATOM 1689 CA MET A 109 5.020 -5.431 -10.325 1.00 13.22 C ATOM 1690 C MET A 109 6.264 -5.362 -9.445 1.00 32.41 C ATOM 1691 O MET A 109 6.220 -5.705 -8.264 1.00 43.01 O ATOM 1692 CB MET A 109 5.080 -6.672 -11.218 1.00 11.33 C ATOM 1693 CG MET A 109 4.693 -7.955 -10.501 1.00 60.33 C ATOM 1694 SD MET A 109 5.868 -9.292 -10.788 1.00 62.35 S ATOM 1695 CE MET A 109 5.485 -10.380 -9.418 1.00 61.00 C ATOM 0 H MET A 109 4.887 -4.396 -12.144 1.00 74.33 H new ATOM 0 HA MET A 109 4.144 -5.499 -9.680 1.00 13.22 H new ATOM 0 HB2 MET A 109 4.417 -6.528 -12.071 1.00 11.33 H new ATOM 0 HB3 MET A 109 6.090 -6.777 -11.613 1.00 11.33 H new ATOM 0 HG2 MET A 109 4.623 -7.762 -9.431 1.00 60.33 H new ATOM 0 HG3 MET A 109 3.703 -8.268 -10.834 1.00 60.33 H new ATOM 0 HE1 MET A 109 6.132 -11.257 -9.458 1.00 61.00 H new ATOM 0 HE2 MET A 109 5.647 -9.852 -8.478 1.00 61.00 H new ATOM 0 HE3 MET A 109 4.443 -10.694 -9.483 1.00 61.00 H new ATOM 1705 N GLY A 110 7.373 -4.918 -10.029 1.00 14.44 N ATOM 1706 CA GLY A 110 8.613 -4.813 -9.282 1.00 70.15 C ATOM 1707 C GLY A 110 8.490 -3.900 -8.078 1.00 62.54 C ATOM 1708 O GLY A 110 9.077 -4.163 -7.028 1.00 44.54 O ATOM 0 H GLY A 110 7.435 -4.629 -11.005 1.00 14.44 H new ATOM 0 HA2 GLY A 110 8.919 -5.805 -8.952 1.00 70.15 H new ATOM 0 HA3 GLY A 110 9.398 -4.439 -9.939 1.00 70.15 H new ATOM 1712 N LYS A 111 7.726 -2.824 -8.229 1.00 60.14 N ATOM 1713 CA LYS A 111 7.528 -1.868 -7.147 1.00 35.05 C ATOM 1714 C LYS A 111 6.861 -2.535 -5.948 1.00 13.34 C ATOM 1715 O LYS A 111 7.296 -2.363 -4.809 1.00 11.44 O ATOM 1716 CB LYS A 111 6.676 -0.691 -7.628 1.00 3.24 C ATOM 1717 CG LYS A 111 6.676 0.490 -6.672 1.00 41.13 C ATOM 1718 CD LYS A 111 5.457 0.474 -5.766 1.00 32.22 C ATOM 1719 CE LYS A 111 4.668 1.770 -5.869 1.00 41.21 C ATOM 1720 NZ LYS A 111 3.556 1.666 -6.854 1.00 70.10 N ATOM 0 H LYS A 111 7.233 -2.592 -9.091 1.00 60.14 H new ATOM 0 HA LYS A 111 8.506 -1.498 -6.838 1.00 35.05 H new ATOM 0 HB2 LYS A 111 7.043 -0.361 -8.600 1.00 3.24 H new ATOM 0 HB3 LYS A 111 5.650 -1.031 -7.773 1.00 3.24 H new ATOM 0 HG2 LYS A 111 7.581 0.468 -6.066 1.00 41.13 H new ATOM 0 HG3 LYS A 111 6.696 1.420 -7.241 1.00 41.13 H new ATOM 0 HD2 LYS A 111 4.815 -0.366 -6.033 1.00 32.22 H new ATOM 0 HD3 LYS A 111 5.772 0.320 -4.734 1.00 32.22 H new ATOM 0 HE2 LYS A 111 4.263 2.027 -4.890 1.00 41.21 H new ATOM 0 HE3 LYS A 111 5.337 2.580 -6.160 1.00 41.21 H new ATOM 0 HZ1 LYS A 111 3.043 2.570 -6.895 1.00 70.10 H new ATOM 0 HZ2 LYS A 111 3.944 1.445 -7.793 1.00 70.10 H new ATOM 0 HZ3 LYS A 111 2.904 0.910 -6.563 1.00 70.10 H new ATOM 1734 N ILE A 112 5.804 -3.296 -6.212 1.00 25.44 N ATOM 1735 CA ILE A 112 5.080 -3.991 -5.154 1.00 43.51 C ATOM 1736 C ILE A 112 6.015 -4.878 -4.339 1.00 73.11 C ATOM 1737 O ILE A 112 5.968 -4.882 -3.109 1.00 10.32 O ATOM 1738 CB ILE A 112 3.940 -4.853 -5.726 1.00 33.44 C ATOM 1739 CG1 ILE A 112 2.972 -3.988 -6.535 1.00 45.54 C ATOM 1740 CG2 ILE A 112 3.205 -5.570 -4.603 1.00 75.41 C ATOM 1741 CD1 ILE A 112 1.960 -4.788 -7.324 1.00 61.30 C ATOM 0 H ILE A 112 5.430 -3.447 -7.149 1.00 25.44 H new ATOM 0 HA ILE A 112 4.655 -3.225 -4.506 1.00 43.51 H new ATOM 0 HB ILE A 112 4.370 -5.602 -6.391 1.00 33.44 H new ATOM 0 HG12 ILE A 112 2.444 -3.317 -5.857 1.00 45.54 H new ATOM 0 HG13 ILE A 112 3.543 -3.363 -7.221 1.00 45.54 H new ATOM 0 HG21 ILE A 112 2.402 -6.176 -5.022 1.00 75.41 H new ATOM 0 HG22 ILE A 112 3.901 -6.213 -4.065 1.00 75.41 H new ATOM 0 HG23 ILE A 112 2.785 -4.835 -3.916 1.00 75.41 H new ATOM 0 HD11 ILE A 112 1.307 -4.109 -7.873 1.00 61.30 H new ATOM 0 HD12 ILE A 112 2.479 -5.439 -8.027 1.00 61.30 H new ATOM 0 HD13 ILE A 112 1.363 -5.393 -6.642 1.00 61.30 H new ATOM 1753 N ASP A 113 6.864 -5.628 -5.033 1.00 12.01 N ATOM 1754 CA ASP A 113 7.812 -6.518 -4.374 1.00 24.22 C ATOM 1755 C ASP A 113 8.656 -5.756 -3.356 1.00 73.41 C ATOM 1756 O ASP A 113 8.806 -6.187 -2.213 1.00 60.12 O ATOM 1757 CB ASP A 113 8.719 -7.187 -5.408 1.00 25.44 C ATOM 1758 CG ASP A 113 7.980 -8.205 -6.254 1.00 42.33 C ATOM 1759 OD1 ASP A 113 7.085 -8.887 -5.714 1.00 71.03 O ATOM 1760 OD2 ASP A 113 8.298 -8.319 -7.457 1.00 34.10 O ATOM 0 H ASP A 113 6.915 -5.637 -6.052 1.00 12.01 H new ATOM 0 HA ASP A 113 7.246 -7.286 -3.847 1.00 24.22 H new ATOM 0 HB2 ASP A 113 9.150 -6.424 -6.057 1.00 25.44 H new ATOM 0 HB3 ASP A 113 9.548 -7.677 -4.897 1.00 25.44 H new ATOM 1765 N ALA A 114 9.204 -4.623 -3.780 1.00 44.31 N ATOM 1766 CA ALA A 114 10.032 -3.801 -2.906 1.00 13.42 C ATOM 1767 C ALA A 114 9.272 -3.404 -1.644 1.00 60.53 C ATOM 1768 O ALA A 114 9.806 -3.480 -0.537 1.00 53.43 O ATOM 1769 CB ALA A 114 10.512 -2.561 -3.646 1.00 22.20 C ATOM 0 H ALA A 114 9.090 -4.253 -4.724 1.00 44.31 H new ATOM 0 HA ALA A 114 10.898 -4.391 -2.607 1.00 13.42 H new ATOM 0 HB1 ALA A 114 11.129 -1.957 -2.981 1.00 22.20 H new ATOM 0 HB2 ALA A 114 11.099 -2.860 -4.514 1.00 22.20 H new ATOM 0 HB3 ALA A 114 9.652 -1.977 -3.973 1.00 22.20 H new ATOM 1775 N TYR A 115 8.025 -2.982 -1.819 1.00 32.24 N ATOM 1776 CA TYR A 115 7.193 -2.571 -0.694 1.00 72.00 C ATOM 1777 C TYR A 115 7.164 -3.649 0.385 1.00 73.20 C ATOM 1778 O TYR A 115 7.204 -3.349 1.579 1.00 74.53 O ATOM 1779 CB TYR A 115 5.770 -2.270 -1.168 1.00 41.13 C ATOM 1780 CG TYR A 115 4.790 -2.046 -0.039 1.00 20.11 C ATOM 1781 CD1 TYR A 115 4.586 -0.777 0.489 1.00 44.11 C ATOM 1782 CD2 TYR A 115 4.068 -3.103 0.501 1.00 64.40 C ATOM 1783 CE1 TYR A 115 3.693 -0.568 1.521 1.00 15.42 C ATOM 1784 CE2 TYR A 115 3.171 -2.903 1.532 1.00 24.23 C ATOM 1785 CZ TYR A 115 2.987 -1.634 2.039 1.00 1.31 C ATOM 1786 OH TYR A 115 2.096 -1.430 3.067 1.00 35.44 O ATOM 0 H TYR A 115 7.568 -2.915 -2.728 1.00 32.24 H new ATOM 0 HA TYR A 115 7.626 -1.666 -0.267 1.00 72.00 H new ATOM 0 HB2 TYR A 115 5.788 -1.385 -1.804 1.00 41.13 H new ATOM 0 HB3 TYR A 115 5.419 -3.098 -1.784 1.00 41.13 H new ATOM 0 HD1 TYR A 115 5.136 0.060 0.085 1.00 44.11 H new ATOM 0 HD2 TYR A 115 4.211 -4.099 0.108 1.00 64.40 H new ATOM 0 HE1 TYR A 115 3.548 0.425 1.921 1.00 15.42 H new ATOM 0 HE2 TYR A 115 2.617 -3.736 1.939 1.00 24.23 H new ATOM 0 HH TYR A 115 2.140 -2.183 3.693 1.00 35.44 H new ATOM 1796 N ILE A 116 7.095 -4.905 -0.044 1.00 53.33 N ATOM 1797 CA ILE A 116 7.062 -6.028 0.884 1.00 61.22 C ATOM 1798 C ILE A 116 8.387 -6.166 1.627 1.00 55.02 C ATOM 1799 O ILE A 116 8.413 -6.477 2.817 1.00 34.25 O ATOM 1800 CB ILE A 116 6.754 -7.350 0.157 1.00 64.55 C ATOM 1801 CG1 ILE A 116 5.435 -7.241 -0.610 1.00 35.23 C ATOM 1802 CG2 ILE A 116 6.703 -8.502 1.150 1.00 52.32 C ATOM 1803 CD1 ILE A 116 5.172 -8.412 -1.531 1.00 10.11 C ATOM 0 H ILE A 116 7.061 -5.170 -1.028 1.00 53.33 H new ATOM 0 HA ILE A 116 6.266 -5.823 1.600 1.00 61.22 H new ATOM 0 HB ILE A 116 7.552 -7.548 -0.558 1.00 64.55 H new ATOM 0 HG12 ILE A 116 4.615 -7.159 0.104 1.00 35.23 H new ATOM 0 HG13 ILE A 116 5.440 -6.322 -1.196 1.00 35.23 H new ATOM 0 HG21 ILE A 116 6.484 -9.429 0.621 1.00 52.32 H new ATOM 0 HG22 ILE A 116 7.665 -8.590 1.654 1.00 52.32 H new ATOM 0 HG23 ILE A 116 5.923 -8.313 1.887 1.00 52.32 H new ATOM 0 HD11 ILE A 116 4.220 -8.267 -2.042 1.00 10.11 H new ATOM 0 HD12 ILE A 116 5.972 -8.482 -2.268 1.00 10.11 H new ATOM 0 HD13 ILE A 116 5.134 -9.332 -0.948 1.00 10.11 H new ATOM 1815 N SER A 117 9.485 -5.930 0.916 1.00 32.32 N ATOM 1816 CA SER A 117 10.814 -6.030 1.508 1.00 50.14 C ATOM 1817 C SER A 117 11.052 -4.898 2.502 1.00 2.14 C ATOM 1818 O SER A 117 11.833 -5.039 3.443 1.00 32.02 O ATOM 1819 CB SER A 117 11.885 -5.998 0.416 1.00 71.15 C ATOM 1820 OG SER A 117 12.866 -6.997 0.634 1.00 71.10 O ATOM 0 H SER A 117 9.481 -5.668 -0.070 1.00 32.32 H new ATOM 0 HA SER A 117 10.877 -6.978 2.042 1.00 50.14 H new ATOM 0 HB2 SER A 117 11.420 -6.147 -0.558 1.00 71.15 H new ATOM 0 HB3 SER A 117 12.359 -5.017 0.396 1.00 71.15 H new ATOM 0 HG SER A 117 13.538 -6.957 -0.078 1.00 71.10 H new ATOM 1826 N GLN A 118 10.373 -3.776 2.286 1.00 4.10 N ATOM 1827 CA GLN A 118 10.511 -2.619 3.163 1.00 44.02 C ATOM 1828 C GLN A 118 9.245 -2.406 3.986 1.00 42.52 C ATOM 1829 O GLN A 118 8.688 -1.308 4.014 1.00 31.03 O ATOM 1830 CB GLN A 118 10.818 -1.365 2.343 1.00 43.24 C ATOM 1831 CG GLN A 118 9.738 -1.021 1.330 1.00 10.51 C ATOM 1832 CD GLN A 118 10.302 -0.433 0.052 1.00 63.25 C ATOM 1833 OE1 GLN A 118 9.892 0.643 -0.385 1.00 25.12 O ATOM 1834 NE2 GLN A 118 11.249 -1.138 -0.557 1.00 73.50 N ATOM 0 H GLN A 118 9.722 -3.644 1.512 1.00 4.10 H new ATOM 0 HA GLN A 118 11.339 -2.809 3.846 1.00 44.02 H new ATOM 0 HB2 GLN A 118 10.951 -0.522 3.020 1.00 43.24 H new ATOM 0 HB3 GLN A 118 11.764 -1.506 1.820 1.00 43.24 H new ATOM 0 HG2 GLN A 118 9.169 -1.920 1.092 1.00 10.51 H new ATOM 0 HG3 GLN A 118 9.041 -0.311 1.775 1.00 10.51 H new ATOM 0 HE21 GLN A 118 11.559 -2.025 -0.160 1.00 73.50 H new ATOM 0 HE22 GLN A 118 11.666 -0.792 -1.421 1.00 73.50 H new ATOM 1843 N LYS A 119 8.795 -3.462 4.654 1.00 0.23 N ATOM 1844 CA LYS A 119 7.595 -3.391 5.479 1.00 31.23 C ATOM 1845 C LYS A 119 7.919 -3.693 6.939 1.00 44.21 C ATOM 1846 O LYS A 119 7.107 -3.444 7.830 1.00 4.01 O ATOM 1847 CB LYS A 119 6.540 -4.374 4.967 1.00 61.43 C ATOM 1848 CG LYS A 119 5.171 -4.181 5.596 1.00 43.43 C ATOM 1849 CD LYS A 119 4.202 -5.271 5.169 1.00 3.42 C ATOM 1850 CE LYS A 119 4.306 -6.492 6.070 1.00 60.14 C ATOM 1851 NZ LYS A 119 3.759 -7.712 5.414 1.00 34.25 N ATOM 0 H LYS A 119 9.243 -4.378 4.640 1.00 0.23 H new ATOM 0 HA LYS A 119 7.200 -2.377 5.415 1.00 31.23 H new ATOM 0 HB2 LYS A 119 6.452 -4.268 3.886 1.00 61.43 H new ATOM 0 HB3 LYS A 119 6.879 -5.391 5.161 1.00 61.43 H new ATOM 0 HG2 LYS A 119 5.265 -4.182 6.682 1.00 43.43 H new ATOM 0 HG3 LYS A 119 4.773 -3.207 5.311 1.00 43.43 H new ATOM 0 HD2 LYS A 119 3.183 -4.884 5.194 1.00 3.42 H new ATOM 0 HD3 LYS A 119 4.408 -5.559 4.138 1.00 3.42 H new ATOM 0 HE2 LYS A 119 5.350 -6.659 6.336 1.00 60.14 H new ATOM 0 HE3 LYS A 119 3.766 -6.306 6.998 1.00 60.14 H new ATOM 0 HZ1 LYS A 119 3.848 -8.523 6.059 1.00 34.25 H new ATOM 0 HZ2 LYS A 119 2.756 -7.562 5.183 1.00 34.25 H new ATOM 0 HZ3 LYS A 119 4.290 -7.905 4.541 1.00 34.25 H new ATOM 1865 N VAL A 120 9.112 -4.229 7.177 1.00 44.13 N ATOM 1866 CA VAL A 120 9.545 -4.562 8.529 1.00 42.34 C ATOM 1867 C VAL A 120 9.740 -3.304 9.368 1.00 21.44 C ATOM 1868 O VAL A 120 9.724 -3.357 10.597 1.00 22.54 O ATOM 1869 CB VAL A 120 10.859 -5.366 8.515 1.00 11.33 C ATOM 1870 CG1 VAL A 120 12.001 -4.513 7.984 1.00 24.41 C ATOM 1871 CG2 VAL A 120 11.176 -5.890 9.908 1.00 45.43 C ATOM 0 H VAL A 120 9.796 -4.442 6.451 1.00 44.13 H new ATOM 0 HA VAL A 120 8.759 -5.173 8.973 1.00 42.34 H new ATOM 0 HB VAL A 120 10.736 -6.220 7.849 1.00 11.33 H new ATOM 0 HG11 VAL A 120 12.921 -5.098 7.981 1.00 24.41 H new ATOM 0 HG12 VAL A 120 11.773 -4.191 6.968 1.00 24.41 H new ATOM 0 HG13 VAL A 120 12.129 -3.638 8.622 1.00 24.41 H new ATOM 0 HG21 VAL A 120 12.107 -6.456 9.881 1.00 45.43 H new ATOM 0 HG22 VAL A 120 11.281 -5.052 10.597 1.00 45.43 H new ATOM 0 HG23 VAL A 120 10.367 -6.538 10.246 1.00 45.43 H new ATOM 1881 N GLY A 121 9.924 -2.172 8.696 1.00 74.34 N ATOM 1882 CA GLY A 121 10.119 -0.916 9.396 1.00 34.41 C ATOM 1883 C GLY A 121 10.788 0.132 8.530 1.00 2.45 C ATOM 1884 O GLY A 121 11.699 0.828 8.978 1.00 13.03 O ATOM 0 H GLY A 121 9.942 -2.102 7.679 1.00 74.34 H new ATOM 0 HA2 GLY A 121 9.154 -0.540 9.736 1.00 34.41 H new ATOM 0 HA3 GLY A 121 10.725 -1.089 10.285 1.00 34.41 H new ATOM 1888 N GLY A 122 10.337 0.246 7.285 1.00 61.32 N ATOM 1889 CA GLY A 122 10.911 1.218 6.373 1.00 4.14 C ATOM 1890 C GLY A 122 9.902 1.738 5.369 1.00 2.10 C ATOM 1891 O GLY A 122 10.272 2.344 4.362 1.00 23.33 O ATOM 0 H GLY A 122 9.584 -0.318 6.891 1.00 61.32 H new ATOM 0 HA2 GLY A 122 11.314 2.054 6.945 1.00 4.14 H new ATOM 0 HA3 GLY A 122 11.747 0.763 5.841 1.00 4.14 H new ATOM 1895 N LEU A 123 8.624 1.501 5.641 1.00 73.34 N ATOM 1896 CA LEU A 123 7.557 1.948 4.752 1.00 51.12 C ATOM 1897 C LEU A 123 6.189 1.557 5.303 1.00 43.05 C ATOM 1898 O LEU A 123 5.262 2.365 5.317 1.00 54.23 O ATOM 1899 CB LEU A 123 7.746 1.353 3.355 1.00 23.25 C ATOM 1900 CG LEU A 123 7.565 2.318 2.184 1.00 53.42 C ATOM 1901 CD1 LEU A 123 8.793 3.201 2.024 1.00 61.41 C ATOM 1902 CD2 LEU A 123 7.286 1.552 0.899 1.00 35.23 C ATOM 0 H LEU A 123 8.301 1.002 6.470 1.00 73.34 H new ATOM 0 HA LEU A 123 7.605 3.035 4.686 1.00 51.12 H new ATOM 0 HB2 LEU A 123 8.747 0.926 3.296 1.00 23.25 H new ATOM 0 HB3 LEU A 123 7.041 0.530 3.234 1.00 23.25 H new ATOM 0 HG LEU A 123 6.708 2.958 2.396 1.00 53.42 H new ATOM 0 HD11 LEU A 123 8.645 3.881 1.185 1.00 61.41 H new ATOM 0 HD12 LEU A 123 8.948 3.778 2.936 1.00 61.41 H new ATOM 0 HD13 LEU A 123 9.667 2.578 1.836 1.00 61.41 H new ATOM 0 HD21 LEU A 123 7.160 2.256 0.076 1.00 35.23 H new ATOM 0 HD22 LEU A 123 8.122 0.887 0.683 1.00 35.23 H new ATOM 0 HD23 LEU A 123 6.376 0.964 1.016 1.00 35.23 H new ATOM 1914 N GLU A 124 6.074 0.313 5.757 1.00 54.01 N ATOM 1915 CA GLU A 124 4.819 -0.184 6.310 1.00 3.11 C ATOM 1916 C GLU A 124 5.047 -1.462 7.111 1.00 32.55 C ATOM 1917 O GLU A 124 4.371 -1.709 8.109 1.00 34.44 O ATOM 1918 CB GLU A 124 3.810 -0.444 5.190 1.00 13.21 C ATOM 1919 CG GLU A 124 2.565 0.422 5.280 1.00 54.51 C ATOM 1920 CD GLU A 124 1.403 -0.292 5.943 1.00 22.20 C ATOM 1921 OE1 GLU A 124 1.121 -1.447 5.562 1.00 60.31 O ATOM 1922 OE2 GLU A 124 0.777 0.304 6.844 1.00 54.32 O ATOM 0 H GLU A 124 6.833 -0.368 5.753 1.00 54.01 H new ATOM 0 HA GLU A 124 4.419 0.578 6.979 1.00 3.11 H new ATOM 0 HB2 GLU A 124 4.294 -0.271 4.229 1.00 13.21 H new ATOM 0 HB3 GLU A 124 3.515 -1.493 5.214 1.00 13.21 H new ATOM 0 HG2 GLU A 124 2.797 1.328 5.840 1.00 54.51 H new ATOM 0 HG3 GLU A 124 2.271 0.734 4.278 1.00 54.51 H new