USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 808 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 34 SER OG : rot 153:sc= -0.945 USER MOD Set 1.2: A 67 LYS NZ :NH3+ -169:sc= 0.993 (180deg=0.801) USER MOD Set 2.1: A 7 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Set 2.2: A 42 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 10 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -169:sc= 1.02 (180deg=0.796) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00151 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 20 THR OG1 : rot -69:sc= -2.04! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -147:sc= 0.151 (180deg=-0.79) USER MOD Single : A 36 SER OG : rot 180:sc= 0.154 USER MOD Single : A 38 ASN : amide:sc= -0.558 K(o=-0.56,f=-2!) USER MOD Single : A 39 ASN : amide:sc= -0.0519 X(o=-0.052,f=-0.52) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= -0.0375 (180deg=-0.251) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0201 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 51 ASN : amide:sc= -1.01 K(o=-1,f=-2.1) USER MOD Single : A 64 HIS :FLIP no HE2:sc= -0.678 F(o=-2.2,f=-0.68) USER MOD Single : A 65 GLN : amide:sc= -4! C(o=-4!,f=-9.2!) USER MOD Single : A 66 TYR OH : rot -47:sc= 0.409 USER MOD Single : A 73 GLN : amide:sc= -0.018 X(o=-0.018,f=0) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.718 F(o=-1.7!,f=-0.72) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.25) USER MOD Single : A 89 THR OG1 : rot 180:sc=-0.00618 USER MOD Single : A 91 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.2!) USER MOD Single : A 92 ASN : amide:sc= -2.23 X(o=-2.2,f=-2!) USER MOD Single : A 95 HIS : no HE2:sc= -2.67 K(o=-2.7,f=-7.1!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -139:sc= 0.438 (180deg=-0.165) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.531 32.426 -11.208 1.00 73.32 N ATOM 2 CA GLY A 1 2.726 33.109 -10.743 1.00 74.42 C ATOM 3 C GLY A 1 3.976 32.269 -10.913 1.00 41.14 C ATOM 4 O GLY A 1 5.059 32.799 -11.156 1.00 32.12 O ATOM 0 H1 GLY A 1 0.739 33.099 -11.246 1.00 73.32 H new ATOM 0 H2 GLY A 1 1.701 32.037 -12.158 1.00 73.32 H new ATOM 0 H3 GLY A 1 1.297 31.652 -10.554 1.00 73.32 H new ATOM 0 HA2 GLY A 1 2.843 34.044 -11.291 1.00 74.42 H new ATOM 0 HA3 GLY A 1 2.607 33.369 -9.691 1.00 74.42 H new ATOM 8 N ALA A 2 3.826 30.955 -10.783 1.00 22.42 N ATOM 9 CA ALA A 2 4.952 30.040 -10.924 1.00 14.31 C ATOM 10 C ALA A 2 4.901 29.308 -12.260 1.00 21.20 C ATOM 11 O ALA A 2 5.908 29.202 -12.960 1.00 54.32 O ATOM 12 CB ALA A 2 4.971 29.044 -9.774 1.00 30.43 C ATOM 0 H ALA A 2 2.936 30.500 -10.580 1.00 22.42 H new ATOM 0 HA ALA A 2 5.870 30.627 -10.896 1.00 14.31 H new ATOM 0 HB1 ALA A 2 5.817 28.367 -9.893 1.00 30.43 H new ATOM 0 HB2 ALA A 2 5.065 29.580 -8.830 1.00 30.43 H new ATOM 0 HB3 ALA A 2 4.044 28.470 -9.775 1.00 30.43 H new ATOM 18 N MET A 3 3.722 28.803 -12.609 1.00 21.15 N ATOM 19 CA MET A 3 3.541 28.081 -13.862 1.00 32.52 C ATOM 20 C MET A 3 4.577 26.970 -14.004 1.00 1.14 C ATOM 21 O MET A 3 4.987 26.630 -15.113 1.00 34.44 O ATOM 22 CB MET A 3 3.641 29.042 -15.049 1.00 70.51 C ATOM 23 CG MET A 3 2.452 29.982 -15.170 1.00 63.43 C ATOM 24 SD MET A 3 2.630 31.461 -14.154 1.00 73.22 S ATOM 25 CE MET A 3 3.632 32.489 -15.225 1.00 34.44 C ATOM 0 H MET A 3 2.878 28.881 -12.041 1.00 21.15 H new ATOM 0 HA MET A 3 2.549 27.630 -13.852 1.00 32.52 H new ATOM 0 HB2 MET A 3 4.552 29.632 -14.953 1.00 70.51 H new ATOM 0 HB3 MET A 3 3.732 28.463 -15.968 1.00 70.51 H new ATOM 0 HG2 MET A 3 2.330 30.275 -16.213 1.00 63.43 H new ATOM 0 HG3 MET A 3 1.544 29.453 -14.879 1.00 63.43 H new ATOM 0 HE1 MET A 3 3.828 33.443 -14.735 1.00 34.44 H new ATOM 0 HE2 MET A 3 4.577 31.986 -15.432 1.00 34.44 H new ATOM 0 HE3 MET A 3 3.102 32.665 -16.161 1.00 34.44 H new ATOM 35 N GLY A 4 4.995 26.408 -12.874 1.00 71.02 N ATOM 36 CA GLY A 4 5.980 25.343 -12.895 1.00 21.21 C ATOM 37 C GLY A 4 6.922 25.400 -11.710 1.00 32.32 C ATOM 38 O GLY A 4 8.112 25.677 -11.867 1.00 73.13 O ATOM 0 H GLY A 4 4.669 26.672 -11.944 1.00 71.02 H new ATOM 0 HA2 GLY A 4 5.469 24.380 -12.903 1.00 21.21 H new ATOM 0 HA3 GLY A 4 6.558 25.405 -13.817 1.00 21.21 H new ATOM 42 N ILE A 5 6.390 25.139 -10.520 1.00 25.33 N ATOM 43 CA ILE A 5 7.192 25.163 -9.304 1.00 35.52 C ATOM 44 C ILE A 5 8.074 23.923 -9.202 1.00 41.41 C ATOM 45 O ILE A 5 7.678 22.831 -9.611 1.00 32.33 O ATOM 46 CB ILE A 5 6.307 25.253 -8.047 1.00 44.05 C ATOM 47 CG1 ILE A 5 7.174 25.299 -6.788 1.00 32.31 C ATOM 48 CG2 ILE A 5 5.344 24.077 -7.992 1.00 63.14 C ATOM 49 CD1 ILE A 5 8.124 26.476 -6.749 1.00 72.53 C ATOM 0 H ILE A 5 5.407 24.909 -10.373 1.00 25.33 H new ATOM 0 HA ILE A 5 7.822 26.051 -9.360 1.00 35.52 H new ATOM 0 HB ILE A 5 5.724 26.172 -8.096 1.00 44.05 H new ATOM 0 HG12 ILE A 5 6.526 25.337 -5.912 1.00 32.31 H new ATOM 0 HG13 ILE A 5 7.750 24.376 -6.719 1.00 32.31 H new ATOM 0 HG21 ILE A 5 4.725 24.155 -7.098 1.00 63.14 H new ATOM 0 HG22 ILE A 5 4.707 24.087 -8.876 1.00 63.14 H new ATOM 0 HG23 ILE A 5 5.909 23.145 -7.962 1.00 63.14 H new ATOM 0 HD11 ILE A 5 8.706 26.443 -5.828 1.00 72.53 H new ATOM 0 HD12 ILE A 5 8.797 26.429 -7.605 1.00 72.53 H new ATOM 0 HD13 ILE A 5 7.554 27.405 -6.785 1.00 72.53 H new ATOM 61 N ARG A 6 9.272 24.098 -8.653 1.00 74.21 N ATOM 62 CA ARG A 6 10.211 22.994 -8.497 1.00 35.21 C ATOM 63 C ARG A 6 10.489 22.721 -7.021 1.00 33.14 C ATOM 64 O ARG A 6 10.630 23.648 -6.225 1.00 23.44 O ATOM 65 CB ARG A 6 11.520 23.302 -9.225 1.00 14.54 C ATOM 66 CG ARG A 6 12.339 22.066 -9.555 1.00 13.20 C ATOM 67 CD ARG A 6 11.667 21.220 -10.625 1.00 32.21 C ATOM 68 NE ARG A 6 11.552 21.933 -11.894 1.00 15.01 N ATOM 69 CZ ARG A 6 12.582 22.175 -12.697 1.00 41.31 C ATOM 70 NH1 ARG A 6 13.797 21.764 -12.365 1.00 20.30 N1+ ATOM 71 NH2 ARG A 6 12.397 22.830 -13.835 1.00 20.21 N ATOM 0 H ARG A 6 9.615 24.995 -8.309 1.00 74.21 H new ATOM 0 HA ARG A 6 9.761 22.103 -8.935 1.00 35.21 H new ATOM 0 HB2 ARG A 6 11.295 23.836 -10.148 1.00 14.54 H new ATOM 0 HB3 ARG A 6 12.120 23.971 -8.608 1.00 14.54 H new ATOM 0 HG2 ARG A 6 13.330 22.366 -9.896 1.00 13.20 H new ATOM 0 HG3 ARG A 6 12.479 21.470 -8.653 1.00 13.20 H new ATOM 0 HD2 ARG A 6 12.238 20.304 -10.774 1.00 32.21 H new ATOM 0 HD3 ARG A 6 10.675 20.925 -10.284 1.00 32.21 H new ATOM 0 HE ARG A 6 10.630 22.263 -12.179 1.00 15.01 H new ATOM 0 HH11 ARG A 6 13.944 21.260 -11.490 1.00 20.30 H new ATOM 0 HH12 ARG A 6 14.586 21.952 -12.984 1.00 20.30 H new ATOM 0 HH21 ARG A 6 11.463 23.148 -14.094 1.00 20.21 H new ATOM 0 HH22 ARG A 6 13.188 23.016 -14.451 1.00 20.21 H new ATOM 85 N ASN A 7 10.566 21.443 -6.666 1.00 22.05 N ATOM 86 CA ASN A 7 10.826 21.048 -5.286 1.00 41.24 C ATOM 87 C ASN A 7 12.076 20.178 -5.196 1.00 31.14 C ATOM 88 O ASN A 7 12.002 19.002 -4.842 1.00 14.33 O ATOM 89 CB ASN A 7 9.624 20.293 -4.714 1.00 62.11 C ATOM 90 CG ASN A 7 8.375 21.151 -4.660 1.00 21.54 C ATOM 91 OD1 ASN A 7 7.604 21.206 -5.619 1.00 44.51 O ATOM 92 ND2 ASN A 7 8.171 21.829 -3.537 1.00 3.12 N ATOM 0 H ASN A 7 10.452 20.663 -7.314 1.00 22.05 H new ATOM 0 HA ASN A 7 10.991 21.953 -4.700 1.00 41.24 H new ATOM 0 HB2 ASN A 7 9.429 19.410 -5.323 1.00 62.11 H new ATOM 0 HB3 ASN A 7 9.863 19.941 -3.711 1.00 62.11 H new ATOM 0 HD21 ASN A 7 7.349 22.425 -3.444 1.00 3.12 H new ATOM 0 HD22 ASN A 7 8.836 21.753 -2.768 1.00 3.12 H new ATOM 99 N SER A 8 13.224 20.766 -5.517 1.00 24.22 N ATOM 100 CA SER A 8 14.490 20.046 -5.475 1.00 22.12 C ATOM 101 C SER A 8 15.378 20.570 -4.350 1.00 52.21 C ATOM 102 O SER A 8 15.876 19.801 -3.529 1.00 13.32 O ATOM 103 CB SER A 8 15.218 20.172 -6.815 1.00 33.23 C ATOM 104 OG SER A 8 16.162 19.128 -6.985 1.00 33.12 O ATOM 0 H SER A 8 13.303 21.740 -5.809 1.00 24.22 H new ATOM 0 HA SER A 8 14.274 18.995 -5.284 1.00 22.12 H new ATOM 0 HB2 SER A 8 14.494 20.147 -7.629 1.00 33.23 H new ATOM 0 HB3 SER A 8 15.724 21.136 -6.868 1.00 33.23 H new ATOM 0 HG SER A 8 16.612 19.231 -7.850 1.00 33.12 H new ATOM 110 N ASP A 9 15.570 21.884 -4.322 1.00 22.51 N ATOM 111 CA ASP A 9 16.396 22.513 -3.297 1.00 21.32 C ATOM 112 C ASP A 9 15.531 23.106 -2.190 1.00 15.34 C ATOM 113 O ASP A 9 14.330 23.309 -2.369 1.00 53.40 O ATOM 114 CB ASP A 9 17.272 23.603 -3.917 1.00 63.52 C ATOM 115 CG ASP A 9 16.475 24.828 -4.317 1.00 15.42 C ATOM 116 OD1 ASP A 9 15.269 24.683 -4.607 1.00 63.00 O ATOM 117 OD2 ASP A 9 17.057 25.932 -4.341 1.00 72.34 O1- ATOM 0 H ASP A 9 15.166 22.534 -4.996 1.00 22.51 H new ATOM 0 HA ASP A 9 17.037 21.747 -2.861 1.00 21.32 H new ATOM 0 HB2 ASP A 9 18.045 23.893 -3.205 1.00 63.52 H new ATOM 0 HB3 ASP A 9 17.780 23.202 -4.794 1.00 63.52 H new ATOM 122 N SER A 10 16.149 23.382 -1.046 1.00 51.35 N ATOM 123 CA SER A 10 15.434 23.948 0.092 1.00 53.41 C ATOM 124 C SER A 10 16.197 25.132 0.678 1.00 5.23 C ATOM 125 O SER A 10 17.377 25.022 1.010 1.00 2.34 O ATOM 126 CB SER A 10 15.219 22.882 1.167 1.00 3.51 C ATOM 127 OG SER A 10 14.221 23.283 2.090 1.00 14.25 O ATOM 0 H SER A 10 17.143 23.223 -0.883 1.00 51.35 H new ATOM 0 HA SER A 10 14.464 24.301 -0.258 1.00 53.41 H new ATOM 0 HB2 SER A 10 14.929 21.942 0.698 1.00 3.51 H new ATOM 0 HB3 SER A 10 16.155 22.699 1.695 1.00 3.51 H new ATOM 0 HG SER A 10 14.101 22.584 2.766 1.00 14.25 H new ATOM 133 N VAL A 11 15.513 26.265 0.803 1.00 42.41 N ATOM 134 CA VAL A 11 16.124 27.471 1.350 1.00 30.25 C ATOM 135 C VAL A 11 15.065 28.499 1.732 1.00 41.31 C ATOM 136 O VAL A 11 14.234 28.886 0.910 1.00 21.42 O ATOM 137 CB VAL A 11 17.105 28.108 0.346 1.00 54.01 C ATOM 138 CG1 VAL A 11 16.402 28.410 -0.968 1.00 73.13 C ATOM 139 CG2 VAL A 11 17.722 29.367 0.934 1.00 11.35 C ATOM 0 H VAL A 11 14.535 26.373 0.533 1.00 42.41 H new ATOM 0 HA VAL A 11 16.673 27.171 2.243 1.00 30.25 H new ATOM 0 HB VAL A 11 17.907 27.398 0.145 1.00 54.01 H new ATOM 0 HG11 VAL A 11 17.110 28.859 -1.665 1.00 73.13 H new ATOM 0 HG12 VAL A 11 16.012 27.485 -1.393 1.00 73.13 H new ATOM 0 HG13 VAL A 11 15.579 29.102 -0.790 1.00 73.13 H new ATOM 0 HG21 VAL A 11 18.412 29.805 0.213 1.00 11.35 H new ATOM 0 HG22 VAL A 11 16.935 30.085 1.165 1.00 11.35 H new ATOM 0 HG23 VAL A 11 18.262 29.115 1.847 1.00 11.35 H new ATOM 149 N LYS A 12 15.102 28.939 2.984 1.00 62.13 N ATOM 150 CA LYS A 12 14.147 29.925 3.477 1.00 73.34 C ATOM 151 C LYS A 12 14.582 30.474 4.833 1.00 3.33 C ATOM 152 O LYS A 12 13.942 30.238 5.858 1.00 14.33 O ATOM 153 CB LYS A 12 12.753 29.303 3.590 1.00 2.21 C ATOM 154 CG LYS A 12 12.774 27.808 3.858 1.00 61.00 C ATOM 155 CD LYS A 12 13.504 27.484 5.150 1.00 54.34 C ATOM 156 CE LYS A 12 13.351 26.018 5.525 1.00 72.12 C ATOM 157 NZ LYS A 12 14.313 25.154 4.786 1.00 15.34 N1+ ATOM 0 H LYS A 12 15.783 28.629 3.677 1.00 62.13 H new ATOM 0 HA LYS A 12 14.114 30.749 2.765 1.00 73.34 H new ATOM 0 HB2 LYS A 12 12.207 29.800 4.392 1.00 2.21 H new ATOM 0 HB3 LYS A 12 12.205 29.490 2.667 1.00 2.21 H new ATOM 0 HG2 LYS A 12 11.752 27.433 3.912 1.00 61.00 H new ATOM 0 HG3 LYS A 12 13.258 27.295 3.027 1.00 61.00 H new ATOM 0 HD2 LYS A 12 14.562 27.724 5.041 1.00 54.34 H new ATOM 0 HD3 LYS A 12 13.116 28.109 5.955 1.00 54.34 H new ATOM 0 HE2 LYS A 12 13.506 25.899 6.597 1.00 72.12 H new ATOM 0 HE3 LYS A 12 12.333 25.693 5.312 1.00 72.12 H new ATOM 0 HZ1 LYS A 12 14.177 24.162 5.069 1.00 15.34 H new ATOM 0 HZ2 LYS A 12 14.149 25.248 3.763 1.00 15.34 H new ATOM 0 HZ3 LYS A 12 15.285 25.448 5.009 1.00 15.34 H new ATOM 171 N PRO A 13 15.694 31.223 4.840 1.00 65.41 N ATOM 172 CA PRO A 13 16.237 31.822 6.063 1.00 11.50 C ATOM 173 C PRO A 13 15.357 32.947 6.598 1.00 11.34 C ATOM 174 O PRO A 13 14.395 33.361 5.948 1.00 73.15 O ATOM 175 CB PRO A 13 17.593 32.371 5.616 1.00 0.34 C ATOM 176 CG PRO A 13 17.443 32.610 4.154 1.00 53.31 C ATOM 177 CD PRO A 13 16.506 31.545 3.655 1.00 75.22 C ATOM 0 HA PRO A 13 16.301 31.100 6.877 1.00 11.50 H new ATOM 0 HB2 PRO A 13 17.841 33.292 6.144 1.00 0.34 H new ATOM 0 HB3 PRO A 13 18.394 31.661 5.821 1.00 0.34 H new ATOM 0 HG2 PRO A 13 17.042 33.605 3.960 1.00 53.31 H new ATOM 0 HG3 PRO A 13 18.407 32.551 3.648 1.00 53.31 H new ATOM 0 HD2 PRO A 13 15.890 31.906 2.831 1.00 75.22 H new ATOM 0 HD3 PRO A 13 17.047 30.672 3.290 1.00 75.22 H new ATOM 185 N THR A 14 15.691 33.440 7.787 1.00 50.15 N ATOM 186 CA THR A 14 14.931 34.515 8.409 1.00 1.34 C ATOM 187 C THR A 14 14.812 35.716 7.477 1.00 54.32 C ATOM 188 O THR A 14 15.659 35.924 6.609 1.00 63.22 O ATOM 189 CB THR A 14 15.578 34.969 9.731 1.00 4.25 C ATOM 190 OG1 THR A 14 16.995 35.091 9.566 1.00 32.32 O ATOM 191 CG2 THR A 14 15.276 33.981 10.848 1.00 71.31 C ATOM 0 H THR A 14 16.484 33.111 8.338 1.00 50.15 H new ATOM 0 HA THR A 14 13.937 34.119 8.616 1.00 1.34 H new ATOM 0 HB THR A 14 15.159 35.938 10.001 1.00 4.25 H new ATOM 0 HG1 THR A 14 17.399 35.382 10.410 1.00 32.32 H new ATOM 0 HG21 THR A 14 15.743 34.322 11.772 1.00 71.31 H new ATOM 0 HG22 THR A 14 14.198 33.912 10.991 1.00 71.31 H new ATOM 0 HG23 THR A 14 15.671 33.000 10.583 1.00 71.31 H new ATOM 199 N GLN A 15 13.758 36.503 7.664 1.00 40.52 N ATOM 200 CA GLN A 15 13.531 37.684 6.838 1.00 43.15 C ATOM 201 C GLN A 15 12.687 38.713 7.581 1.00 33.21 C ATOM 202 O GLN A 15 12.313 38.506 8.735 1.00 53.53 O ATOM 203 CB GLN A 15 12.842 37.291 5.529 1.00 31.55 C ATOM 204 CG GLN A 15 13.778 36.647 4.519 1.00 43.34 C ATOM 205 CD GLN A 15 13.115 36.412 3.177 1.00 4.04 C ATOM 206 OE1 GLN A 15 12.359 35.457 3.002 1.00 13.04 O ATOM 207 NE2 GLN A 15 13.395 37.287 2.217 1.00 54.10 N ATOM 0 H GLN A 15 13.048 36.345 8.379 1.00 40.52 H new ATOM 0 HA GLN A 15 14.499 38.130 6.612 1.00 43.15 H new ATOM 0 HB2 GLN A 15 12.028 36.600 5.750 1.00 31.55 H new ATOM 0 HB3 GLN A 15 12.395 38.179 5.083 1.00 31.55 H new ATOM 0 HG2 GLN A 15 14.652 37.284 4.382 1.00 43.34 H new ATOM 0 HG3 GLN A 15 14.135 35.696 4.915 1.00 43.34 H new ATOM 0 HE21 GLN A 15 14.027 38.065 2.405 1.00 54.10 H new ATOM 0 HE22 GLN A 15 12.977 37.181 1.292 1.00 54.10 H new ATOM 216 N GLN A 16 12.391 39.823 6.912 1.00 34.12 N ATOM 217 CA GLN A 16 11.591 40.885 7.511 1.00 54.22 C ATOM 218 C GLN A 16 10.193 40.385 7.859 1.00 30.53 C ATOM 219 O GLN A 16 9.740 40.519 8.995 1.00 42.22 O ATOM 220 CB GLN A 16 11.496 42.079 6.559 1.00 60.44 C ATOM 221 CG GLN A 16 10.979 43.346 7.222 1.00 73.51 C ATOM 222 CD GLN A 16 11.036 44.550 6.303 1.00 50.44 C ATOM 223 OE1 GLN A 16 11.008 44.413 5.079 1.00 75.13 O ATOM 224 NE2 GLN A 16 11.116 45.738 6.888 1.00 74.11 N ATOM 0 H GLN A 16 12.693 40.010 5.956 1.00 34.12 H new ATOM 0 HA GLN A 16 12.083 41.200 8.431 1.00 54.22 H new ATOM 0 HB2 GLN A 16 12.481 42.276 6.137 1.00 60.44 H new ATOM 0 HB3 GLN A 16 10.840 41.820 5.728 1.00 60.44 H new ATOM 0 HG2 GLN A 16 9.950 43.189 7.545 1.00 73.51 H new ATOM 0 HG3 GLN A 16 11.567 43.549 8.117 1.00 73.51 H new ATOM 0 HE21 GLN A 16 11.136 45.805 7.906 1.00 74.11 H new ATOM 0 HE22 GLN A 16 11.157 46.584 6.320 1.00 74.11 H new ATOM 233 N ALA A 17 9.515 39.806 6.874 1.00 72.44 N ATOM 234 CA ALA A 17 8.169 39.285 7.076 1.00 21.42 C ATOM 235 C ALA A 17 8.152 38.221 8.169 1.00 22.12 C ATOM 236 O ALA A 17 8.700 37.132 7.997 1.00 4.12 O ATOM 237 CB ALA A 17 7.622 38.717 5.776 1.00 42.13 C ATOM 0 H ALA A 17 9.876 39.686 5.928 1.00 72.44 H new ATOM 0 HA ALA A 17 7.531 40.109 7.396 1.00 21.42 H new ATOM 0 HB1 ALA A 17 6.616 38.332 5.942 1.00 42.13 H new ATOM 0 HB2 ALA A 17 7.590 39.502 5.021 1.00 42.13 H new ATOM 0 HB3 ALA A 17 8.268 37.909 5.432 1.00 42.13 H new ATOM 243 N ARG A 18 7.520 38.543 9.293 1.00 33.52 N ATOM 244 CA ARG A 18 7.433 37.615 10.413 1.00 13.22 C ATOM 245 C ARG A 18 6.930 36.250 9.952 1.00 32.13 C ATOM 246 O ARG A 18 5.762 36.077 9.605 1.00 45.04 O ATOM 247 CB ARG A 18 6.506 38.173 11.494 1.00 74.21 C ATOM 248 CG ARG A 18 6.892 37.755 12.904 1.00 51.14 C ATOM 249 CD ARG A 18 6.331 36.385 13.252 1.00 72.54 C ATOM 250 NE ARG A 18 6.502 36.068 14.667 1.00 24.34 N ATOM 251 CZ ARG A 18 7.635 35.611 15.187 1.00 34.35 C ATOM 252 NH1 ARG A 18 8.694 35.419 14.413 1.00 13.44 N1+ ATOM 253 NH2 ARG A 18 7.711 35.345 16.485 1.00 44.41 N ATOM 0 H ARG A 18 7.061 39.440 9.452 1.00 33.52 H new ATOM 0 HA ARG A 18 8.433 37.493 10.829 1.00 13.22 H new ATOM 0 HB2 ARG A 18 6.506 39.261 11.434 1.00 74.21 H new ATOM 0 HB3 ARG A 18 5.487 37.843 11.293 1.00 74.21 H new ATOM 0 HG2 ARG A 18 7.978 37.739 12.995 1.00 51.14 H new ATOM 0 HG3 ARG A 18 6.523 38.492 13.617 1.00 51.14 H new ATOM 0 HD2 ARG A 18 5.271 36.352 12.998 1.00 72.54 H new ATOM 0 HD3 ARG A 18 6.827 35.626 12.648 1.00 72.54 H new ATOM 0 HE ARG A 18 5.707 36.205 15.291 1.00 24.34 H new ATOM 0 HH11 ARG A 18 8.640 35.622 13.415 1.00 13.44 H new ATOM 0 HH12 ARG A 18 9.563 35.068 14.816 1.00 13.44 H new ATOM 0 HH21 ARG A 18 6.899 35.492 17.084 1.00 44.41 H new ATOM 0 HH22 ARG A 18 8.582 34.994 16.884 1.00 44.41 H new ATOM 267 N PRO A 19 7.832 35.258 9.946 1.00 42.30 N ATOM 268 CA PRO A 19 7.504 33.892 9.530 1.00 72.54 C ATOM 269 C PRO A 19 6.589 33.186 10.526 1.00 40.44 C ATOM 270 O PRO A 19 6.507 33.573 11.692 1.00 14.01 O ATOM 271 CB PRO A 19 8.868 33.199 9.474 1.00 10.11 C ATOM 272 CG PRO A 19 9.723 33.970 10.421 1.00 63.22 C ATOM 273 CD PRO A 19 9.244 35.394 10.347 1.00 44.21 C ATOM 0 HA PRO A 19 6.963 33.874 8.584 1.00 72.54 H new ATOM 0 HB2 PRO A 19 8.793 32.153 9.770 1.00 10.11 H new ATOM 0 HB3 PRO A 19 9.280 33.216 8.465 1.00 10.11 H new ATOM 0 HG2 PRO A 19 9.632 33.580 11.435 1.00 63.22 H new ATOM 0 HG3 PRO A 19 10.775 33.897 10.145 1.00 63.22 H new ATOM 0 HD2 PRO A 19 9.342 35.902 11.307 1.00 44.21 H new ATOM 0 HD3 PRO A 19 9.814 35.973 9.620 1.00 44.21 H new ATOM 281 N THR A 20 5.903 32.148 10.058 1.00 65.22 N ATOM 282 CA THR A 20 4.994 31.388 10.907 1.00 1.42 C ATOM 283 C THR A 20 5.295 29.896 10.840 1.00 44.04 C ATOM 284 O THR A 20 5.381 29.318 9.757 1.00 14.52 O ATOM 285 CB THR A 20 3.524 31.622 10.507 1.00 74.14 C ATOM 286 OG1 THR A 20 3.274 33.024 10.358 1.00 14.13 O ATOM 287 CG2 THR A 20 2.580 31.042 11.550 1.00 21.30 C ATOM 0 H THR A 20 5.960 31.814 9.096 1.00 65.22 H new ATOM 0 HA THR A 20 5.147 31.740 11.927 1.00 1.42 H new ATOM 0 HB THR A 20 3.345 31.118 9.557 1.00 74.14 H new ATOM 0 HG1 THR A 20 3.311 33.458 11.236 1.00 14.13 H new ATOM 0 HG21 THR A 20 1.548 31.219 11.246 1.00 21.30 H new ATOM 0 HG22 THR A 20 2.752 29.970 11.640 1.00 21.30 H new ATOM 0 HG23 THR A 20 2.762 31.521 12.512 1.00 21.30 H new ATOM 295 N VAL A 21 5.456 29.276 12.005 1.00 72.24 N ATOM 296 CA VAL A 21 5.747 27.850 12.079 1.00 21.13 C ATOM 297 C VAL A 21 4.559 27.075 12.639 1.00 13.22 C ATOM 298 O VAL A 21 3.994 27.444 13.668 1.00 54.24 O ATOM 299 CB VAL A 21 6.984 27.573 12.953 1.00 64.20 C ATOM 300 CG1 VAL A 21 6.806 28.179 14.337 1.00 41.02 C ATOM 301 CG2 VAL A 21 7.247 26.078 13.047 1.00 62.22 C ATOM 0 H VAL A 21 5.390 29.740 12.911 1.00 72.24 H new ATOM 0 HA VAL A 21 5.949 27.516 11.061 1.00 21.13 H new ATOM 0 HB VAL A 21 7.850 28.042 12.485 1.00 64.20 H new ATOM 0 HG11 VAL A 21 7.690 27.973 14.941 1.00 41.02 H new ATOM 0 HG12 VAL A 21 6.671 29.257 14.248 1.00 41.02 H new ATOM 0 HG13 VAL A 21 5.930 27.742 14.816 1.00 41.02 H new ATOM 0 HG21 VAL A 21 8.125 25.901 13.668 1.00 62.22 H new ATOM 0 HG22 VAL A 21 6.383 25.584 13.491 1.00 62.22 H new ATOM 0 HG23 VAL A 21 7.422 25.676 12.049 1.00 62.22 H new ATOM 311 N ILE A 22 4.187 25.999 11.954 1.00 3.43 N ATOM 312 CA ILE A 22 3.066 25.170 12.384 1.00 12.44 C ATOM 313 C ILE A 22 3.513 23.737 12.651 1.00 32.43 C ATOM 314 O ILE A 22 4.312 23.175 11.901 1.00 24.12 O ATOM 315 CB ILE A 22 1.940 25.157 11.334 1.00 33.05 C ATOM 316 CG1 ILE A 22 1.620 26.583 10.880 1.00 70.13 C ATOM 317 CG2 ILE A 22 0.698 24.483 11.898 1.00 52.15 C ATOM 318 CD1 ILE A 22 0.563 26.649 9.799 1.00 60.50 C ATOM 0 H ILE A 22 4.644 25.680 11.100 1.00 3.43 H new ATOM 0 HA ILE A 22 2.686 25.608 13.307 1.00 12.44 H new ATOM 0 HB ILE A 22 2.277 24.587 10.468 1.00 33.05 H new ATOM 0 HG12 ILE A 22 1.286 27.163 11.740 1.00 70.13 H new ATOM 0 HG13 ILE A 22 2.533 27.053 10.514 1.00 70.13 H new ATOM 0 HG21 ILE A 22 -0.089 24.482 11.144 1.00 52.15 H new ATOM 0 HG22 ILE A 22 0.936 23.456 12.176 1.00 52.15 H new ATOM 0 HG23 ILE A 22 0.356 25.028 12.778 1.00 52.15 H new ATOM 0 HD11 ILE A 22 0.386 27.689 9.526 1.00 60.50 H new ATOM 0 HD12 ILE A 22 0.903 26.096 8.923 1.00 60.50 H new ATOM 0 HD13 ILE A 22 -0.363 26.209 10.168 1.00 60.50 H new ATOM 330 N ARG A 23 2.993 23.151 13.725 1.00 11.32 N ATOM 331 CA ARG A 23 3.338 21.783 14.092 1.00 71.41 C ATOM 332 C ARG A 23 2.122 20.868 13.980 1.00 72.25 C ATOM 333 O ARG A 23 1.039 21.199 14.460 1.00 15.13 O ATOM 334 CB ARG A 23 3.895 21.739 15.516 1.00 10.01 C ATOM 335 CG ARG A 23 4.039 20.331 16.070 1.00 51.15 C ATOM 336 CD ARG A 23 4.768 20.330 17.405 1.00 13.14 C ATOM 337 NE ARG A 23 3.969 20.940 18.465 1.00 73.24 N ATOM 338 CZ ARG A 23 4.370 21.031 19.727 1.00 1.22 C ATOM 339 NH1 ARG A 23 5.555 20.554 20.086 1.00 61.23 N1+ ATOM 340 NH2 ARG A 23 3.588 21.601 20.635 1.00 60.42 N ATOM 0 H ARG A 23 2.331 23.603 14.356 1.00 11.32 H new ATOM 0 HA ARG A 23 4.102 21.429 13.400 1.00 71.41 H new ATOM 0 HB2 ARG A 23 4.869 22.228 15.531 1.00 10.01 H new ATOM 0 HB3 ARG A 23 3.240 22.313 16.171 1.00 10.01 H new ATOM 0 HG2 ARG A 23 3.052 19.884 16.193 1.00 51.15 H new ATOM 0 HG3 ARG A 23 4.583 19.712 15.357 1.00 51.15 H new ATOM 0 HD2 ARG A 23 5.016 19.305 17.682 1.00 13.14 H new ATOM 0 HD3 ARG A 23 5.710 20.870 17.304 1.00 13.14 H new ATOM 0 HE ARG A 23 3.053 21.317 18.222 1.00 73.24 H new ATOM 0 HH11 ARG A 23 6.160 20.116 19.391 1.00 61.23 H new ATOM 0 HH12 ARG A 23 5.861 20.625 21.056 1.00 61.23 H new ATOM 0 HH21 ARG A 23 2.677 21.970 20.364 1.00 60.42 H new ATOM 0 HH22 ARG A 23 3.898 21.670 21.604 1.00 60.42 H new ATOM 354 N TRP A 24 2.312 19.717 13.346 1.00 3.23 N ATOM 355 CA TRP A 24 1.230 18.753 13.172 1.00 15.23 C ATOM 356 C TRP A 24 1.486 17.494 13.992 1.00 63.45 C ATOM 357 O TRP A 24 2.536 16.864 13.869 1.00 54.01 O ATOM 358 CB TRP A 24 1.075 18.391 11.693 1.00 72.25 C ATOM 359 CG TRP A 24 0.146 17.239 11.459 1.00 3.34 C ATOM 360 CD1 TRP A 24 0.489 15.922 11.336 1.00 34.04 C ATOM 361 CD2 TRP A 24 -1.277 17.300 11.317 1.00 1.53 C ATOM 362 NE1 TRP A 24 -0.636 15.161 11.126 1.00 1.41 N ATOM 363 CE2 TRP A 24 -1.733 15.983 11.111 1.00 15.10 C ATOM 364 CE3 TRP A 24 -2.212 18.339 11.346 1.00 14.44 C ATOM 365 CZ2 TRP A 24 -3.080 15.680 10.934 1.00 13.31 C ATOM 366 CZ3 TRP A 24 -3.548 18.037 11.169 1.00 61.15 C ATOM 367 CH2 TRP A 24 -3.973 16.717 10.967 1.00 33.23 C ATOM 0 H TRP A 24 3.204 19.428 12.944 1.00 3.23 H new ATOM 0 HA TRP A 24 0.307 19.212 13.525 1.00 15.23 H new ATOM 0 HB2 TRP A 24 0.707 19.261 11.150 1.00 72.25 H new ATOM 0 HB3 TRP A 24 2.054 18.148 11.281 1.00 72.25 H new ATOM 0 HD1 TRP A 24 1.496 15.536 11.395 1.00 34.04 H new ATOM 0 HE1 TRP A 24 -0.652 14.149 11.001 1.00 1.41 H new ATOM 0 HE3 TRP A 24 -1.895 19.359 11.504 1.00 14.44 H new ATOM 0 HZ2 TRP A 24 -3.409 14.663 10.776 1.00 13.31 H new ATOM 0 HZ3 TRP A 24 -4.278 18.832 11.187 1.00 61.15 H new ATOM 0 HH2 TRP A 24 -5.025 16.514 10.835 1.00 33.23 H new ATOM 378 N SER A 25 0.518 17.132 14.830 1.00 32.42 N ATOM 379 CA SER A 25 0.641 15.949 15.673 1.00 61.31 C ATOM 380 C SER A 25 -0.508 14.979 15.418 1.00 1.43 C ATOM 381 O SER A 25 -1.645 15.227 15.820 1.00 0.20 O ATOM 382 CB SER A 25 0.667 16.349 17.150 1.00 74.14 C ATOM 383 OG SER A 25 0.091 17.630 17.340 1.00 11.02 O ATOM 0 H SER A 25 -0.359 17.641 14.942 1.00 32.42 H new ATOM 0 HA SER A 25 1.577 15.451 15.422 1.00 61.31 H new ATOM 0 HB2 SER A 25 0.123 15.611 17.740 1.00 74.14 H new ATOM 0 HB3 SER A 25 1.695 16.352 17.512 1.00 74.14 H new ATOM 0 HG SER A 25 0.118 17.863 18.292 1.00 11.02 H new ATOM 389 N GLU A 26 -0.204 13.872 14.747 1.00 53.04 N ATOM 390 CA GLU A 26 -1.211 12.864 14.437 1.00 60.10 C ATOM 391 C GLU A 26 -0.593 11.470 14.404 1.00 74.23 C ATOM 392 O GLU A 26 -1.158 10.516 14.937 1.00 22.33 O ATOM 393 CB GLU A 26 -1.876 13.173 13.095 1.00 62.15 C ATOM 394 CG GLU A 26 -3.221 12.488 12.909 1.00 12.22 C ATOM 395 CD GLU A 26 -4.213 12.851 13.996 1.00 34.13 C ATOM 396 OE1 GLU A 26 -4.439 14.059 14.215 1.00 23.12 O1- ATOM 397 OE2 GLU A 26 -4.765 11.925 14.628 1.00 61.43 O ATOM 0 H GLU A 26 0.732 13.651 14.408 1.00 53.04 H new ATOM 0 HA GLU A 26 -1.967 12.888 15.222 1.00 60.10 H new ATOM 0 HB2 GLU A 26 -2.011 14.251 13.006 1.00 62.15 H new ATOM 0 HB3 GLU A 26 -1.208 12.868 12.289 1.00 62.15 H new ATOM 0 HG2 GLU A 26 -3.634 12.763 11.938 1.00 12.22 H new ATOM 0 HG3 GLU A 26 -3.077 11.408 12.900 1.00 12.22 H new ATOM 404 N GLY A 27 0.571 11.360 13.773 1.00 15.14 N ATOM 405 CA GLY A 27 1.247 10.079 13.680 1.00 4.13 C ATOM 406 C GLY A 27 1.309 9.557 12.257 1.00 73.25 C ATOM 407 O GLY A 27 1.142 8.362 12.019 1.00 40.05 O ATOM 0 H GLY A 27 1.059 12.135 13.324 1.00 15.14 H new ATOM 0 HA2 GLY A 27 2.259 10.177 14.072 1.00 4.13 H new ATOM 0 HA3 GLY A 27 0.731 9.353 14.308 1.00 4.13 H new ATOM 411 N GLY A 28 1.550 10.458 11.309 1.00 1.41 N ATOM 412 CA GLY A 28 1.629 10.064 9.914 1.00 61.23 C ATOM 413 C GLY A 28 3.059 9.909 9.434 1.00 31.04 C ATOM 414 O GLY A 28 4.003 10.153 10.186 1.00 11.20 O ATOM 0 H GLY A 28 1.692 11.453 11.482 1.00 1.41 H new ATOM 0 HA2 GLY A 28 1.099 9.122 9.775 1.00 61.23 H new ATOM 0 HA3 GLY A 28 1.122 10.809 9.300 1.00 61.23 H new ATOM 418 N LYS A 29 3.219 9.503 8.181 1.00 2.02 N ATOM 419 CA LYS A 29 4.544 9.316 7.600 1.00 70.24 C ATOM 420 C LYS A 29 4.892 10.464 6.658 1.00 44.33 C ATOM 421 O LYS A 29 6.054 10.849 6.537 1.00 44.34 O ATOM 422 CB LYS A 29 4.610 7.986 6.846 1.00 33.13 C ATOM 423 CG LYS A 29 3.450 7.770 5.889 1.00 54.20 C ATOM 424 CD LYS A 29 2.342 6.952 6.530 1.00 2.42 C ATOM 425 CE LYS A 29 0.969 7.410 6.063 1.00 32.15 C ATOM 426 NZ LYS A 29 0.604 6.815 4.748 1.00 31.05 N1+ ATOM 0 H LYS A 29 2.448 9.297 7.546 1.00 2.02 H new ATOM 0 HA LYS A 29 5.271 9.303 8.412 1.00 70.24 H new ATOM 0 HB2 LYS A 29 5.544 7.941 6.287 1.00 33.13 H new ATOM 0 HB3 LYS A 29 4.631 7.170 7.568 1.00 33.13 H new ATOM 0 HG2 LYS A 29 3.054 8.735 5.572 1.00 54.20 H new ATOM 0 HG3 LYS A 29 3.806 7.262 4.993 1.00 54.20 H new ATOM 0 HD2 LYS A 29 2.478 5.899 6.285 1.00 2.42 H new ATOM 0 HD3 LYS A 29 2.406 7.038 7.615 1.00 2.42 H new ATOM 0 HE2 LYS A 29 0.222 7.134 6.807 1.00 32.15 H new ATOM 0 HE3 LYS A 29 0.955 8.497 5.986 1.00 32.15 H new ATOM 0 HZ1 LYS A 29 0.024 7.490 4.211 1.00 31.05 H new ATOM 0 HZ2 LYS A 29 1.469 6.599 4.213 1.00 31.05 H new ATOM 0 HZ3 LYS A 29 0.064 5.940 4.901 1.00 31.05 H new ATOM 440 N GLU A 30 3.876 11.008 5.994 1.00 70.41 N ATOM 441 CA GLU A 30 4.077 12.112 5.063 1.00 31.12 C ATOM 442 C GLU A 30 3.020 13.194 5.266 1.00 62.13 C ATOM 443 O GLU A 30 1.827 12.955 5.077 1.00 50.04 O ATOM 444 CB GLU A 30 4.034 11.607 3.620 1.00 52.54 C ATOM 445 CG GLU A 30 4.868 10.358 3.387 1.00 64.11 C ATOM 446 CD GLU A 30 6.342 10.581 3.667 1.00 64.32 C ATOM 447 OE1 GLU A 30 6.749 11.754 3.802 1.00 41.54 O ATOM 448 OE2 GLU A 30 7.088 9.583 3.749 1.00 24.13 O1- ATOM 0 H GLU A 30 2.907 10.702 6.084 1.00 70.41 H new ATOM 0 HA GLU A 30 5.058 12.544 5.260 1.00 31.12 H new ATOM 0 HB2 GLU A 30 2.999 11.399 3.348 1.00 52.54 H new ATOM 0 HB3 GLU A 30 4.385 12.397 2.957 1.00 52.54 H new ATOM 0 HG2 GLU A 30 4.498 9.555 4.024 1.00 64.11 H new ATOM 0 HG3 GLU A 30 4.743 10.030 2.355 1.00 64.11 H new ATOM 455 N VAL A 31 3.466 14.384 5.655 1.00 74.14 N ATOM 456 CA VAL A 31 2.560 15.503 5.884 1.00 50.44 C ATOM 457 C VAL A 31 2.923 16.693 5.004 1.00 42.45 C ATOM 458 O VAL A 31 4.098 16.938 4.725 1.00 5.15 O ATOM 459 CB VAL A 31 2.577 15.945 7.359 1.00 42.23 C ATOM 460 CG1 VAL A 31 1.497 16.986 7.617 1.00 75.11 C ATOM 461 CG2 VAL A 31 2.400 14.745 8.277 1.00 3.42 C ATOM 0 H VAL A 31 4.450 14.598 5.818 1.00 74.14 H new ATOM 0 HA VAL A 31 1.559 15.158 5.627 1.00 50.44 H new ATOM 0 HB VAL A 31 3.545 16.398 7.573 1.00 42.23 H new ATOM 0 HG11 VAL A 31 1.524 17.286 8.664 1.00 75.11 H new ATOM 0 HG12 VAL A 31 1.672 17.857 6.985 1.00 75.11 H new ATOM 0 HG13 VAL A 31 0.520 16.561 7.387 1.00 75.11 H new ATOM 0 HG21 VAL A 31 2.415 15.076 9.315 1.00 3.42 H new ATOM 0 HG22 VAL A 31 1.447 14.261 8.064 1.00 3.42 H new ATOM 0 HG23 VAL A 31 3.212 14.037 8.111 1.00 3.42 H new ATOM 471 N PHE A 32 1.908 17.433 4.569 1.00 3.30 N ATOM 472 CA PHE A 32 2.120 18.599 3.719 1.00 33.30 C ATOM 473 C PHE A 32 1.220 19.754 4.147 1.00 0.43 C ATOM 474 O PHE A 32 0.362 19.597 5.016 1.00 64.31 O ATOM 475 CB PHE A 32 1.852 18.244 2.255 1.00 54.22 C ATOM 476 CG PHE A 32 2.555 16.997 1.801 1.00 44.23 C ATOM 477 CD1 PHE A 32 1.948 15.758 1.928 1.00 31.12 C ATOM 478 CD2 PHE A 32 3.824 17.064 1.248 1.00 61.04 C ATOM 479 CE1 PHE A 32 2.594 14.609 1.513 1.00 15.41 C ATOM 480 CE2 PHE A 32 4.475 15.918 0.830 1.00 62.11 C ATOM 481 CZ PHE A 32 3.859 14.690 0.961 1.00 40.11 C ATOM 0 H PHE A 32 0.930 17.246 4.791 1.00 3.30 H new ATOM 0 HA PHE A 32 3.159 18.912 3.826 1.00 33.30 H new ATOM 0 HB2 PHE A 32 0.779 18.119 2.111 1.00 54.22 H new ATOM 0 HB3 PHE A 32 2.164 19.077 1.625 1.00 54.22 H new ATOM 0 HD1 PHE A 32 0.959 15.689 2.356 1.00 31.12 H new ATOM 0 HD2 PHE A 32 4.310 18.023 1.142 1.00 61.04 H new ATOM 0 HE1 PHE A 32 2.111 13.649 1.620 1.00 15.41 H new ATOM 0 HE2 PHE A 32 5.464 15.984 0.402 1.00 62.11 H new ATOM 0 HZ PHE A 32 4.364 13.794 0.633 1.00 40.11 H new ATOM 491 N ILE A 33 1.424 20.914 3.532 1.00 13.34 N ATOM 492 CA ILE A 33 0.631 22.095 3.848 1.00 72.44 C ATOM 493 C ILE A 33 0.453 22.983 2.621 1.00 11.41 C ATOM 494 O ILE A 33 1.387 23.179 1.843 1.00 13.30 O ATOM 495 CB ILE A 33 1.278 22.921 4.976 1.00 15.35 C ATOM 496 CG1 ILE A 33 0.372 24.092 5.363 1.00 53.51 C ATOM 497 CG2 ILE A 33 2.648 23.424 4.545 1.00 11.24 C ATOM 498 CD1 ILE A 33 0.776 24.766 6.656 1.00 0.14 C ATOM 0 H ILE A 33 2.132 21.061 2.812 1.00 13.34 H new ATOM 0 HA ILE A 33 -0.344 21.740 4.181 1.00 72.44 H new ATOM 0 HB ILE A 33 1.406 22.281 5.849 1.00 15.35 H new ATOM 0 HG12 ILE A 33 0.381 24.829 4.560 1.00 53.51 H new ATOM 0 HG13 ILE A 33 -0.653 23.733 5.454 1.00 53.51 H new ATOM 0 HG21 ILE A 33 3.093 24.006 5.352 1.00 11.24 H new ATOM 0 HG22 ILE A 33 3.291 22.575 4.313 1.00 11.24 H new ATOM 0 HG23 ILE A 33 2.543 24.052 3.660 1.00 11.24 H new ATOM 0 HD11 ILE A 33 0.090 25.586 6.868 1.00 0.14 H new ATOM 0 HD12 ILE A 33 0.739 24.042 7.470 1.00 0.14 H new ATOM 0 HD13 ILE A 33 1.790 25.155 6.562 1.00 0.14 H new ATOM 510 N SER A 34 -0.751 23.519 2.454 1.00 74.21 N ATOM 511 CA SER A 34 -1.054 24.385 1.320 1.00 21.11 C ATOM 512 C SER A 34 -2.074 25.450 1.706 1.00 75.54 C ATOM 513 O SER A 34 -3.011 25.184 2.458 1.00 75.43 O ATOM 514 CB SER A 34 -1.582 23.558 0.147 1.00 25.35 C ATOM 515 OG SER A 34 -0.946 22.293 0.086 1.00 52.43 O ATOM 0 H SER A 34 -1.534 23.369 3.090 1.00 74.21 H new ATOM 0 HA SER A 34 -0.132 24.883 1.019 1.00 21.11 H new ATOM 0 HB2 SER A 34 -2.659 23.422 0.249 1.00 25.35 H new ATOM 0 HB3 SER A 34 -1.416 24.097 -0.786 1.00 25.35 H new ATOM 0 HG SER A 34 -1.545 21.646 -0.342 1.00 52.43 H new ATOM 521 N GLY A 35 -1.884 26.659 1.187 1.00 54.31 N ATOM 522 CA GLY A 35 -2.795 27.748 1.488 1.00 42.32 C ATOM 523 C GLY A 35 -2.612 28.932 0.559 1.00 45.21 C ATOM 524 O GLY A 35 -1.886 28.845 -0.431 1.00 21.03 O ATOM 0 H GLY A 35 -1.115 26.904 0.563 1.00 54.31 H new ATOM 0 HA2 GLY A 35 -3.822 27.389 1.416 1.00 42.32 H new ATOM 0 HA3 GLY A 35 -2.642 28.071 2.518 1.00 42.32 H new ATOM 528 N SER A 36 -3.272 30.041 0.879 1.00 75.24 N ATOM 529 CA SER A 36 -3.182 31.245 0.062 1.00 34.33 C ATOM 530 C SER A 36 -1.765 31.810 0.079 1.00 71.13 C ATOM 531 O SER A 36 -1.395 32.616 -0.774 1.00 4.31 O ATOM 532 CB SER A 36 -4.170 32.301 0.563 1.00 65.34 C ATOM 533 OG SER A 36 -4.037 32.500 1.959 1.00 13.12 O ATOM 0 H SER A 36 -3.874 30.130 1.697 1.00 75.24 H new ATOM 0 HA SER A 36 -3.435 30.977 -0.964 1.00 34.33 H new ATOM 0 HB2 SER A 36 -3.998 33.242 0.040 1.00 65.34 H new ATOM 0 HB3 SER A 36 -5.189 31.989 0.332 1.00 65.34 H new ATOM 0 HG SER A 36 -4.677 33.180 2.255 1.00 13.12 H new ATOM 539 N PHE A 37 -0.976 31.379 1.058 1.00 23.10 N ATOM 540 CA PHE A 37 0.402 31.841 1.188 1.00 11.12 C ATOM 541 C PHE A 37 1.282 31.244 0.096 1.00 50.51 C ATOM 542 O PHE A 37 2.378 31.734 -0.171 1.00 73.12 O ATOM 543 CB PHE A 37 0.957 31.472 2.566 1.00 22.03 C ATOM 544 CG PHE A 37 1.046 29.990 2.799 1.00 62.52 C ATOM 545 CD1 PHE A 37 2.155 29.275 2.377 1.00 1.14 C ATOM 546 CD2 PHE A 37 0.020 29.314 3.439 1.00 4.33 C ATOM 547 CE1 PHE A 37 2.240 27.911 2.589 1.00 24.12 C ATOM 548 CE2 PHE A 37 0.100 27.951 3.654 1.00 63.12 C ATOM 549 CZ PHE A 37 1.210 27.248 3.229 1.00 45.15 C ATOM 0 H PHE A 37 -1.266 30.711 1.772 1.00 23.10 H new ATOM 0 HA PHE A 37 0.407 32.926 1.080 1.00 11.12 H new ATOM 0 HB2 PHE A 37 1.949 31.910 2.679 1.00 22.03 H new ATOM 0 HB3 PHE A 37 0.324 31.915 3.335 1.00 22.03 H new ATOM 0 HD1 PHE A 37 2.963 29.789 1.877 1.00 1.14 H new ATOM 0 HD2 PHE A 37 -0.851 29.858 3.773 1.00 4.33 H new ATOM 0 HE1 PHE A 37 3.110 27.365 2.255 1.00 24.12 H new ATOM 0 HE2 PHE A 37 -0.706 27.435 4.155 1.00 63.12 H new ATOM 0 HZ PHE A 37 1.273 26.183 3.396 1.00 45.15 H new ATOM 559 N ASN A 38 0.793 30.180 -0.534 1.00 22.03 N ATOM 560 CA ASN A 38 1.536 29.514 -1.598 1.00 73.21 C ATOM 561 C ASN A 38 0.706 29.441 -2.877 1.00 65.12 C ATOM 562 O ASN A 38 1.023 28.681 -3.791 1.00 33.34 O ATOM 563 CB ASN A 38 1.943 28.105 -1.160 1.00 74.54 C ATOM 564 CG ASN A 38 3.078 27.546 -1.995 1.00 31.23 C ATOM 565 OD1 ASN A 38 3.641 28.239 -2.841 1.00 32.13 O ATOM 566 ND2 ASN A 38 3.419 26.283 -1.760 1.00 70.32 N ATOM 0 H ASN A 38 -0.114 29.761 -0.326 1.00 22.03 H new ATOM 0 HA ASN A 38 2.434 30.098 -1.801 1.00 73.21 H new ATOM 0 HB2 ASN A 38 2.242 28.125 -0.112 1.00 74.54 H new ATOM 0 HB3 ASN A 38 1.081 27.442 -1.233 1.00 74.54 H new ATOM 0 HD21 ASN A 38 4.175 25.852 -2.291 1.00 70.32 H new ATOM 0 HD22 ASN A 38 2.924 25.745 -1.048 1.00 70.32 H new ATOM 573 N ASN A 39 -0.357 30.236 -2.932 1.00 74.22 N ATOM 574 CA ASN A 39 -1.232 30.263 -4.098 1.00 43.44 C ATOM 575 C ASN A 39 -1.862 28.894 -4.336 1.00 54.22 C ATOM 576 O ASN A 39 -2.343 28.602 -5.431 1.00 61.41 O ATOM 577 CB ASN A 39 -0.450 30.698 -5.340 1.00 4.25 C ATOM 578 CG ASN A 39 -1.331 31.380 -6.368 1.00 33.23 C ATOM 579 OD1 ASN A 39 -2.150 32.235 -6.032 1.00 13.05 O ATOM 580 ND2 ASN A 39 -1.167 31.002 -7.631 1.00 32.44 N ATOM 0 H ASN A 39 -0.633 30.870 -2.183 1.00 74.22 H new ATOM 0 HA ASN A 39 -2.028 30.983 -3.907 1.00 43.44 H new ATOM 0 HB2 ASN A 39 0.350 31.377 -5.043 1.00 4.25 H new ATOM 0 HB3 ASN A 39 0.023 29.826 -5.792 1.00 4.25 H new ATOM 0 HD21 ASN A 39 -1.732 31.425 -8.367 1.00 32.44 H new ATOM 0 HD22 ASN A 39 -0.476 30.289 -7.864 1.00 32.44 H new ATOM 587 N TRP A 40 -1.858 28.060 -3.303 1.00 11.01 N ATOM 588 CA TRP A 40 -2.430 26.722 -3.399 1.00 32.51 C ATOM 589 C TRP A 40 -1.875 25.976 -4.607 1.00 23.40 C ATOM 590 O TRP A 40 -2.552 25.131 -5.192 1.00 14.41 O ATOM 591 CB TRP A 40 -3.956 26.802 -3.490 1.00 1.54 C ATOM 592 CG TRP A 40 -4.571 27.654 -2.422 1.00 50.23 C ATOM 593 CD1 TRP A 40 -4.694 29.014 -2.428 1.00 31.41 C ATOM 594 CD2 TRP A 40 -5.145 27.203 -1.190 1.00 14.41 C ATOM 595 NE1 TRP A 40 -5.310 29.436 -1.274 1.00 60.15 N ATOM 596 CE2 TRP A 40 -5.597 28.343 -0.499 1.00 20.21 C ATOM 597 CE3 TRP A 40 -5.322 25.946 -0.605 1.00 13.14 C ATOM 598 CZ2 TRP A 40 -6.214 28.263 0.747 1.00 10.52 C ATOM 599 CZ3 TRP A 40 -5.934 25.868 0.632 1.00 75.02 C ATOM 600 CH2 TRP A 40 -6.374 27.019 1.296 1.00 71.30 C ATOM 0 H TRP A 40 -1.465 28.286 -2.389 1.00 11.01 H new ATOM 0 HA TRP A 40 -2.155 26.172 -2.499 1.00 32.51 H new ATOM 0 HB2 TRP A 40 -4.234 27.199 -4.466 1.00 1.54 H new ATOM 0 HB3 TRP A 40 -4.370 25.796 -3.425 1.00 1.54 H new ATOM 0 HD1 TRP A 40 -4.357 29.663 -3.223 1.00 31.41 H new ATOM 0 HE1 TRP A 40 -5.519 30.405 -1.034 1.00 60.15 H new ATOM 0 HE3 TRP A 40 -4.987 25.052 -1.110 1.00 13.14 H new ATOM 0 HZ2 TRP A 40 -6.554 29.150 1.261 1.00 10.52 H new ATOM 0 HZ3 TRP A 40 -6.075 24.902 1.094 1.00 75.02 H new ATOM 0 HH2 TRP A 40 -6.849 26.924 2.261 1.00 71.30 H new ATOM 611 N SER A 41 -0.638 26.295 -4.976 1.00 74.51 N ATOM 612 CA SER A 41 0.007 25.658 -6.118 1.00 24.05 C ATOM 613 C SER A 41 0.501 24.261 -5.753 1.00 42.45 C ATOM 614 O SER A 41 -0.064 23.257 -6.190 1.00 72.12 O ATOM 615 CB SER A 41 1.178 26.512 -6.610 1.00 64.43 C ATOM 616 OG SER A 41 1.819 25.906 -7.720 1.00 75.12 O ATOM 0 H SER A 41 -0.063 26.991 -4.501 1.00 74.51 H new ATOM 0 HA SER A 41 -0.729 25.568 -6.917 1.00 24.05 H new ATOM 0 HB2 SER A 41 0.818 27.502 -6.890 1.00 64.43 H new ATOM 0 HB3 SER A 41 1.896 26.650 -5.802 1.00 64.43 H new ATOM 0 HG SER A 41 2.562 26.471 -8.017 1.00 75.12 H new ATOM 622 N THR A 42 1.557 24.204 -4.948 1.00 73.54 N ATOM 623 CA THR A 42 2.128 22.932 -4.526 1.00 45.04 C ATOM 624 C THR A 42 2.134 22.811 -3.006 1.00 34.20 C ATOM 625 O THR A 42 2.454 23.765 -2.297 1.00 34.44 O ATOM 626 CB THR A 42 3.567 22.760 -5.050 1.00 1.10 C ATOM 627 OG1 THR A 42 4.159 21.588 -4.478 1.00 15.30 O ATOM 628 CG2 THR A 42 4.414 23.978 -4.714 1.00 52.41 C ATOM 0 H THR A 42 2.034 25.025 -4.575 1.00 73.54 H new ATOM 0 HA THR A 42 1.500 22.147 -4.948 1.00 45.04 H new ATOM 0 HB THR A 42 3.526 22.654 -6.134 1.00 1.10 H new ATOM 0 HG1 THR A 42 5.073 21.484 -4.817 1.00 15.30 H new ATOM 0 HG21 THR A 42 5.425 23.834 -5.094 1.00 52.41 H new ATOM 0 HG22 THR A 42 3.976 24.864 -5.175 1.00 52.41 H new ATOM 0 HG23 THR A 42 4.448 24.111 -3.633 1.00 52.41 H new ATOM 636 N LYS A 43 1.780 21.630 -2.510 1.00 53.21 N ATOM 637 CA LYS A 43 1.746 21.381 -1.074 1.00 62.12 C ATOM 638 C LYS A 43 3.158 21.264 -0.509 1.00 0.51 C ATOM 639 O LYS A 43 3.922 20.379 -0.899 1.00 42.43 O ATOM 640 CB LYS A 43 0.959 20.104 -0.775 1.00 42.01 C ATOM 641 CG LYS A 43 1.530 18.866 -1.443 1.00 13.53 C ATOM 642 CD LYS A 43 0.561 17.698 -1.376 1.00 24.00 C ATOM 643 CE LYS A 43 0.702 16.785 -2.583 1.00 21.13 C ATOM 644 NZ LYS A 43 -0.025 17.318 -3.770 1.00 63.23 N1+ ATOM 0 H LYS A 43 1.512 20.829 -3.083 1.00 53.21 H new ATOM 0 HA LYS A 43 1.250 22.226 -0.596 1.00 62.12 H new ATOM 0 HB2 LYS A 43 0.935 19.946 0.303 1.00 42.01 H new ATOM 0 HB3 LYS A 43 -0.073 20.239 -1.100 1.00 42.01 H new ATOM 0 HG2 LYS A 43 1.762 19.088 -2.485 1.00 13.53 H new ATOM 0 HG3 LYS A 43 2.467 18.590 -0.960 1.00 13.53 H new ATOM 0 HD2 LYS A 43 0.740 17.128 -0.465 1.00 24.00 H new ATOM 0 HD3 LYS A 43 -0.460 18.074 -1.321 1.00 24.00 H new ATOM 0 HE2 LYS A 43 1.758 16.666 -2.827 1.00 21.13 H new ATOM 0 HE3 LYS A 43 0.318 15.795 -2.336 1.00 21.13 H new ATOM 0 HZ1 LYS A 43 0.096 16.667 -4.572 1.00 63.23 H new ATOM 0 HZ2 LYS A 43 -1.037 17.408 -3.546 1.00 63.23 H new ATOM 0 HZ3 LYS A 43 0.358 18.252 -4.021 1.00 63.23 H new ATOM 658 N ILE A 44 3.500 22.160 0.411 1.00 50.11 N ATOM 659 CA ILE A 44 4.818 22.155 1.031 1.00 75.21 C ATOM 660 C ILE A 44 4.959 20.996 2.013 1.00 20.24 C ATOM 661 O ILE A 44 4.095 20.756 2.856 1.00 14.21 O ATOM 662 CB ILE A 44 5.099 23.476 1.770 1.00 5.22 C ATOM 663 CG1 ILE A 44 5.506 24.565 0.774 1.00 22.10 C ATOM 664 CG2 ILE A 44 6.184 23.277 2.817 1.00 1.53 C ATOM 665 CD1 ILE A 44 5.062 25.953 1.183 1.00 74.32 C ATOM 0 H ILE A 44 2.881 22.899 0.743 1.00 50.11 H new ATOM 0 HA ILE A 44 5.544 22.038 0.226 1.00 75.21 H new ATOM 0 HB ILE A 44 4.187 23.794 2.276 1.00 5.22 H new ATOM 0 HG12 ILE A 44 6.590 24.557 0.662 1.00 22.10 H new ATOM 0 HG13 ILE A 44 5.083 24.330 -0.203 1.00 22.10 H new ATOM 0 HG21 ILE A 44 6.371 24.220 3.331 1.00 1.53 H new ATOM 0 HG22 ILE A 44 5.859 22.528 3.540 1.00 1.53 H new ATOM 0 HG23 ILE A 44 7.100 22.940 2.332 1.00 1.53 H new ATOM 0 HD11 ILE A 44 5.384 26.674 0.432 1.00 74.32 H new ATOM 0 HD12 ILE A 44 3.976 25.977 1.267 1.00 74.32 H new ATOM 0 HD13 ILE A 44 5.506 26.208 2.145 1.00 74.32 H new ATOM 677 N PRO A 45 6.076 20.261 1.905 1.00 42.30 N ATOM 678 CA PRO A 45 6.360 19.117 2.777 1.00 74.53 C ATOM 679 C PRO A 45 6.660 19.542 4.211 1.00 40.33 C ATOM 680 O PRO A 45 7.541 20.368 4.452 1.00 40.12 O ATOM 681 CB PRO A 45 7.596 18.481 2.137 1.00 11.42 C ATOM 682 CG PRO A 45 8.258 19.595 1.403 1.00 55.22 C ATOM 683 CD PRO A 45 7.150 20.491 0.924 1.00 3.34 C ATOM 0 HA PRO A 45 5.508 18.441 2.854 1.00 74.53 H new ATOM 0 HB2 PRO A 45 8.258 18.056 2.891 1.00 11.42 H new ATOM 0 HB3 PRO A 45 7.320 17.671 1.462 1.00 11.42 H new ATOM 0 HG2 PRO A 45 8.945 20.137 2.053 1.00 55.22 H new ATOM 0 HG3 PRO A 45 8.844 19.217 0.565 1.00 55.22 H new ATOM 0 HD2 PRO A 45 7.459 21.536 0.904 1.00 3.34 H new ATOM 0 HD3 PRO A 45 6.833 20.233 -0.086 1.00 3.34 H new ATOM 691 N LEU A 46 5.923 18.971 5.158 1.00 54.51 N ATOM 692 CA LEU A 46 6.112 19.290 6.568 1.00 11.22 C ATOM 693 C LEU A 46 7.307 18.536 7.143 1.00 63.13 C ATOM 694 O LEU A 46 7.254 17.320 7.332 1.00 34.03 O ATOM 695 CB LEU A 46 4.850 18.948 7.362 1.00 1.32 C ATOM 696 CG LEU A 46 4.221 20.097 8.152 1.00 64.55 C ATOM 697 CD1 LEU A 46 3.549 21.085 7.212 1.00 13.04 C ATOM 698 CD2 LEU A 46 3.223 19.562 9.169 1.00 1.43 C ATOM 0 H LEU A 46 5.190 18.286 4.975 1.00 54.51 H new ATOM 0 HA LEU A 46 6.308 20.359 6.649 1.00 11.22 H new ATOM 0 HB2 LEU A 46 4.104 18.559 6.669 1.00 1.32 H new ATOM 0 HB3 LEU A 46 5.090 18.144 8.058 1.00 1.32 H new ATOM 0 HG LEU A 46 5.012 20.619 8.690 1.00 64.55 H new ATOM 0 HD11 LEU A 46 3.107 21.896 7.791 1.00 13.04 H new ATOM 0 HD12 LEU A 46 4.289 21.493 6.523 1.00 13.04 H new ATOM 0 HD13 LEU A 46 2.769 20.576 6.646 1.00 13.04 H new ATOM 0 HD21 LEU A 46 2.786 20.393 9.722 1.00 1.43 H new ATOM 0 HD22 LEU A 46 2.434 19.015 8.652 1.00 1.43 H new ATOM 0 HD23 LEU A 46 3.733 18.894 9.863 1.00 1.43 H new ATOM 710 N ILE A 47 8.382 19.266 7.419 1.00 41.44 N ATOM 711 CA ILE A 47 9.589 18.665 7.975 1.00 1.41 C ATOM 712 C ILE A 47 9.269 17.829 9.210 1.00 65.02 C ATOM 713 O ILE A 47 8.805 18.351 10.224 1.00 61.11 O ATOM 714 CB ILE A 47 10.629 19.737 8.351 1.00 11.35 C ATOM 715 CG1 ILE A 47 10.941 20.622 7.142 1.00 2.10 C ATOM 716 CG2 ILE A 47 11.898 19.083 8.876 1.00 15.21 C ATOM 717 CD1 ILE A 47 11.461 19.853 5.948 1.00 52.21 C ATOM 0 H ILE A 47 8.443 20.273 7.267 1.00 41.44 H new ATOM 0 HA ILE A 47 10.006 18.021 7.201 1.00 1.41 H new ATOM 0 HB ILE A 47 10.214 20.364 9.140 1.00 11.35 H new ATOM 0 HG12 ILE A 47 10.038 21.159 6.853 1.00 2.10 H new ATOM 0 HG13 ILE A 47 11.679 21.371 7.431 1.00 2.10 H new ATOM 0 HG21 ILE A 47 12.623 19.854 9.137 1.00 15.21 H new ATOM 0 HG22 ILE A 47 11.663 18.491 9.760 1.00 15.21 H new ATOM 0 HG23 ILE A 47 12.318 18.435 8.107 1.00 15.21 H new ATOM 0 HD11 ILE A 47 11.661 20.544 5.129 1.00 52.21 H new ATOM 0 HD12 ILE A 47 12.382 19.337 6.220 1.00 52.21 H new ATOM 0 HD13 ILE A 47 10.716 19.123 5.633 1.00 52.21 H new ATOM 729 N LYS A 48 9.522 16.528 9.117 1.00 55.44 N ATOM 730 CA LYS A 48 9.264 15.617 10.226 1.00 2.01 C ATOM 731 C LYS A 48 10.354 15.730 11.287 1.00 4.04 C ATOM 732 O LYS A 48 11.528 15.481 11.014 1.00 74.51 O ATOM 733 CB LYS A 48 9.177 14.176 9.720 1.00 32.12 C ATOM 734 CG LYS A 48 8.517 13.225 10.704 1.00 21.33 C ATOM 735 CD LYS A 48 8.321 11.845 10.099 1.00 65.24 C ATOM 736 CE LYS A 48 7.613 10.908 11.066 1.00 55.25 C ATOM 737 NZ LYS A 48 8.360 10.765 12.346 1.00 34.55 N1+ ATOM 0 H LYS A 48 9.906 16.081 8.285 1.00 55.44 H new ATOM 0 HA LYS A 48 8.312 15.894 10.678 1.00 2.01 H new ATOM 0 HB2 LYS A 48 8.619 14.162 8.784 1.00 32.12 H new ATOM 0 HB3 LYS A 48 10.182 13.816 9.498 1.00 32.12 H new ATOM 0 HG2 LYS A 48 9.130 13.146 11.602 1.00 21.33 H new ATOM 0 HG3 LYS A 48 7.552 13.629 11.011 1.00 21.33 H new ATOM 0 HD2 LYS A 48 7.740 11.928 9.180 1.00 65.24 H new ATOM 0 HD3 LYS A 48 9.289 11.425 9.827 1.00 65.24 H new ATOM 0 HE2 LYS A 48 6.611 11.286 11.270 1.00 55.25 H new ATOM 0 HE3 LYS A 48 7.496 9.928 10.602 1.00 55.25 H new ATOM 0 HZ1 LYS A 48 7.963 9.974 12.893 1.00 34.55 H new ATOM 0 HZ2 LYS A 48 9.363 10.578 12.144 1.00 34.55 H new ATOM 0 HZ3 LYS A 48 8.276 11.643 12.897 1.00 34.55 H new ATOM 751 N SER A 49 9.958 16.106 12.499 1.00 14.13 N ATOM 752 CA SER A 49 10.901 16.255 13.601 1.00 33.35 C ATOM 753 C SER A 49 10.981 14.972 14.424 1.00 3.20 C ATOM 754 O SER A 49 10.351 13.967 14.091 1.00 64.42 O ATOM 755 CB SER A 49 10.492 17.424 14.497 1.00 31.23 C ATOM 756 OG SER A 49 11.615 17.973 15.165 1.00 51.25 O ATOM 0 H SER A 49 8.989 16.313 12.743 1.00 14.13 H new ATOM 0 HA SER A 49 11.885 16.458 13.179 1.00 33.35 H new ATOM 0 HB2 SER A 49 10.010 18.195 13.896 1.00 31.23 H new ATOM 0 HB3 SER A 49 9.759 17.086 15.229 1.00 31.23 H new ATOM 0 HG SER A 49 11.327 18.720 15.730 1.00 51.25 H new ATOM 762 N HIS A 50 11.759 15.015 15.501 1.00 0.54 N ATOM 763 CA HIS A 50 11.922 13.858 16.373 1.00 22.21 C ATOM 764 C HIS A 50 10.661 13.618 17.198 1.00 65.22 C ATOM 765 O HIS A 50 10.399 12.499 17.638 1.00 14.41 O ATOM 766 CB HIS A 50 13.122 14.055 17.300 1.00 63.12 C ATOM 767 CG HIS A 50 14.434 13.726 16.658 1.00 21.12 C ATOM 768 ND1 HIS A 50 14.855 14.288 15.471 1.00 33.13 N ATOM 769 CD2 HIS A 50 15.424 12.887 17.046 1.00 30.03 C ATOM 770 CE1 HIS A 50 16.044 13.808 15.156 1.00 63.42 C ATOM 771 NE2 HIS A 50 16.412 12.955 16.095 1.00 44.14 N ATOM 0 H HIS A 50 12.286 15.839 15.790 1.00 0.54 H new ATOM 0 HA HIS A 50 12.097 12.984 15.746 1.00 22.21 H new ATOM 0 HB2 HIS A 50 13.142 15.091 17.640 1.00 63.12 H new ATOM 0 HB3 HIS A 50 12.993 13.432 18.185 1.00 63.12 H new ATOM 0 HD2 HIS A 50 15.434 12.278 17.938 1.00 30.03 H new ATOM 0 HE1 HIS A 50 16.618 14.069 14.279 1.00 63.42 H new ATOM 0 HE2 HIS A 50 17.288 12.432 16.111 1.00 44.14 H new ATOM 779 N ASN A 51 9.884 14.677 17.405 1.00 43.20 N ATOM 780 CA ASN A 51 8.652 14.581 18.178 1.00 41.32 C ATOM 781 C ASN A 51 7.437 14.503 17.259 1.00 42.34 C ATOM 782 O ASN A 51 6.625 13.584 17.362 1.00 61.52 O ATOM 783 CB ASN A 51 8.520 15.783 19.116 1.00 24.42 C ATOM 784 CG ASN A 51 8.857 17.092 18.429 1.00 75.52 C ATOM 785 OD1 ASN A 51 7.986 17.748 17.857 1.00 63.21 O ATOM 786 ND2 ASN A 51 10.127 17.479 18.483 1.00 63.41 N ATOM 0 H ASN A 51 10.086 15.611 17.048 1.00 43.20 H new ATOM 0 HA ASN A 51 8.695 13.668 18.771 1.00 41.32 H new ATOM 0 HB2 ASN A 51 7.501 15.830 19.501 1.00 24.42 H new ATOM 0 HB3 ASN A 51 9.179 15.646 19.973 1.00 24.42 H new ATOM 0 HD21 ASN A 51 10.414 18.352 18.039 1.00 63.41 H new ATOM 0 HD22 ASN A 51 10.815 16.904 18.968 1.00 63.41 H new ATOM 793 N ASP A 52 7.320 15.474 16.360 1.00 25.42 N ATOM 794 CA ASP A 52 6.205 15.515 15.420 1.00 63.14 C ATOM 795 C ASP A 52 6.584 16.291 14.162 1.00 70.31 C ATOM 796 O ASP A 52 7.730 16.709 13.999 1.00 74.35 O ATOM 797 CB ASP A 52 4.980 16.152 16.077 1.00 51.42 C ATOM 798 CG ASP A 52 4.433 15.313 17.216 1.00 61.33 C ATOM 799 OD1 ASP A 52 3.795 14.276 16.936 1.00 34.01 O ATOM 800 OD2 ASP A 52 4.644 15.693 18.387 1.00 71.33 O1- ATOM 0 H ASP A 52 7.983 16.243 16.262 1.00 25.42 H new ATOM 0 HA ASP A 52 5.964 14.491 15.135 1.00 63.14 H new ATOM 0 HB2 ASP A 52 5.245 17.140 16.452 1.00 51.42 H new ATOM 0 HB3 ASP A 52 4.202 16.294 15.327 1.00 51.42 H new ATOM 805 N PHE A 53 5.613 16.480 13.275 1.00 51.12 N ATOM 806 CA PHE A 53 5.843 17.204 12.030 1.00 12.33 C ATOM 807 C PHE A 53 5.800 18.712 12.262 1.00 22.10 C ATOM 808 O PHE A 53 5.032 19.202 13.090 1.00 32.20 O ATOM 809 CB PHE A 53 4.800 16.807 10.984 1.00 64.40 C ATOM 810 CG PHE A 53 4.953 15.396 10.490 1.00 61.34 C ATOM 811 CD1 PHE A 53 5.766 15.111 9.405 1.00 54.52 C ATOM 812 CD2 PHE A 53 4.284 14.355 11.113 1.00 54.43 C ATOM 813 CE1 PHE A 53 5.909 13.815 8.948 1.00 21.11 C ATOM 814 CE2 PHE A 53 4.424 13.056 10.661 1.00 14.33 C ATOM 815 CZ PHE A 53 5.236 12.785 9.577 1.00 53.35 C ATOM 0 H PHE A 53 4.658 16.142 13.395 1.00 51.12 H new ATOM 0 HA PHE A 53 6.834 16.939 11.662 1.00 12.33 H new ATOM 0 HB2 PHE A 53 3.804 16.928 11.411 1.00 64.40 H new ATOM 0 HB3 PHE A 53 4.869 17.490 10.137 1.00 64.40 H new ATOM 0 HD1 PHE A 53 6.295 15.912 8.910 1.00 54.52 H new ATOM 0 HD2 PHE A 53 3.647 14.560 11.960 1.00 54.43 H new ATOM 0 HE1 PHE A 53 6.546 13.607 8.101 1.00 21.11 H new ATOM 0 HE2 PHE A 53 3.898 12.253 11.156 1.00 14.33 H new ATOM 0 HZ PHE A 53 5.345 11.771 9.222 1.00 53.35 H new ATOM 825 N VAL A 54 6.630 19.442 11.524 1.00 33.42 N ATOM 826 CA VAL A 54 6.686 20.893 11.647 1.00 40.41 C ATOM 827 C VAL A 54 7.108 21.541 10.333 1.00 3.45 C ATOM 828 O VAL A 54 7.815 20.934 9.529 1.00 74.24 O ATOM 829 CB VAL A 54 7.664 21.324 12.756 1.00 62.34 C ATOM 830 CG1 VAL A 54 7.119 20.946 14.125 1.00 24.21 C ATOM 831 CG2 VAL A 54 9.035 20.706 12.528 1.00 4.44 C ATOM 0 H VAL A 54 7.273 19.052 10.835 1.00 33.42 H new ATOM 0 HA VAL A 54 5.682 21.227 11.907 1.00 40.41 H new ATOM 0 HB VAL A 54 7.771 22.408 12.721 1.00 62.34 H new ATOM 0 HG11 VAL A 54 7.823 21.258 14.896 1.00 24.21 H new ATOM 0 HG12 VAL A 54 6.162 21.442 14.285 1.00 24.21 H new ATOM 0 HG13 VAL A 54 6.981 19.866 14.176 1.00 24.21 H new ATOM 0 HG21 VAL A 54 9.713 21.022 13.321 1.00 4.44 H new ATOM 0 HG22 VAL A 54 8.950 19.619 12.534 1.00 4.44 H new ATOM 0 HG23 VAL A 54 9.426 21.034 11.565 1.00 4.44 H new ATOM 841 N ALA A 55 6.671 22.778 10.121 1.00 33.42 N ATOM 842 CA ALA A 55 7.005 23.508 8.905 1.00 64.34 C ATOM 843 C ALA A 55 7.027 25.012 9.158 1.00 43.12 C ATOM 844 O ALA A 55 6.083 25.572 9.718 1.00 20.33 O ATOM 845 CB ALA A 55 6.018 23.172 7.798 1.00 75.11 C ATOM 0 H ALA A 55 6.085 23.295 10.776 1.00 33.42 H new ATOM 0 HA ALA A 55 8.003 23.203 8.590 1.00 64.34 H new ATOM 0 HB1 ALA A 55 6.281 23.725 6.896 1.00 75.11 H new ATOM 0 HB2 ALA A 55 6.054 22.102 7.591 1.00 75.11 H new ATOM 0 HB3 ALA A 55 5.011 23.447 8.112 1.00 75.11 H new ATOM 851 N ILE A 56 8.111 25.662 8.743 1.00 4.32 N ATOM 852 CA ILE A 56 8.254 27.101 8.925 1.00 62.15 C ATOM 853 C ILE A 56 7.961 27.850 7.629 1.00 1.24 C ATOM 854 O ILE A 56 8.790 27.885 6.719 1.00 41.11 O ATOM 855 CB ILE A 56 9.669 27.468 9.408 1.00 74.20 C ATOM 856 CG1 ILE A 56 9.981 26.759 10.727 1.00 12.24 C ATOM 857 CG2 ILE A 56 9.799 28.976 9.570 1.00 20.32 C ATOM 858 CD1 ILE A 56 10.735 25.458 10.550 1.00 22.53 C ATOM 0 H ILE A 56 8.902 25.215 8.279 1.00 4.32 H new ATOM 0 HA ILE A 56 7.531 27.397 9.685 1.00 62.15 H new ATOM 0 HB ILE A 56 10.389 27.138 8.659 1.00 74.20 H new ATOM 0 HG12 ILE A 56 10.567 27.426 11.359 1.00 12.24 H new ATOM 0 HG13 ILE A 56 9.047 26.560 11.253 1.00 12.24 H new ATOM 0 HG21 ILE A 56 10.805 29.220 9.912 1.00 20.32 H new ATOM 0 HG22 ILE A 56 9.614 29.462 8.612 1.00 20.32 H new ATOM 0 HG23 ILE A 56 9.072 29.327 10.302 1.00 20.32 H new ATOM 0 HD11 ILE A 56 10.922 25.010 11.526 1.00 22.53 H new ATOM 0 HD12 ILE A 56 10.142 24.773 9.944 1.00 22.53 H new ATOM 0 HD13 ILE A 56 11.685 25.653 10.052 1.00 22.53 H new ATOM 870 N LEU A 57 6.779 28.450 7.553 1.00 53.34 N ATOM 871 CA LEU A 57 6.377 29.201 6.369 1.00 41.32 C ATOM 872 C LEU A 57 6.889 30.636 6.435 1.00 4.44 C ATOM 873 O LEU A 57 7.448 31.061 7.446 1.00 25.01 O ATOM 874 CB LEU A 57 4.853 29.197 6.233 1.00 22.14 C ATOM 875 CG LEU A 57 4.195 27.825 6.088 1.00 14.52 C ATOM 876 CD1 LEU A 57 2.689 27.933 6.270 1.00 62.22 C ATOM 877 CD2 LEU A 57 4.528 27.214 4.734 1.00 54.43 C ATOM 0 H LEU A 57 6.082 28.431 8.297 1.00 53.34 H new ATOM 0 HA LEU A 57 6.816 28.718 5.496 1.00 41.32 H new ATOM 0 HB2 LEU A 57 4.429 29.690 7.108 1.00 22.14 H new ATOM 0 HB3 LEU A 57 4.584 29.800 5.366 1.00 22.14 H new ATOM 0 HG LEU A 57 4.588 27.171 6.866 1.00 14.52 H new ATOM 0 HD11 LEU A 57 2.238 26.946 6.163 1.00 62.22 H new ATOM 0 HD12 LEU A 57 2.470 28.327 7.262 1.00 62.22 H new ATOM 0 HD13 LEU A 57 2.278 28.603 5.515 1.00 62.22 H new ATOM 0 HD21 LEU A 57 4.051 26.238 4.648 1.00 54.43 H new ATOM 0 HD22 LEU A 57 4.163 27.867 3.941 1.00 54.43 H new ATOM 0 HD23 LEU A 57 5.608 27.100 4.642 1.00 54.43 H new ATOM 889 N ASP A 58 6.693 31.379 5.351 1.00 22.22 N ATOM 890 CA ASP A 58 7.134 32.768 5.286 1.00 23.10 C ATOM 891 C ASP A 58 5.979 33.686 4.896 1.00 53.11 C ATOM 892 O ASP A 58 5.658 33.829 3.715 1.00 71.11 O ATOM 893 CB ASP A 58 8.280 32.916 4.285 1.00 60.34 C ATOM 894 CG ASP A 58 9.587 32.361 4.815 1.00 4.33 C ATOM 895 OD1 ASP A 58 9.543 31.444 5.662 1.00 31.41 O ATOM 896 OD2 ASP A 58 10.655 32.846 4.384 1.00 64.40 O1- ATOM 0 H ASP A 58 6.232 31.043 4.506 1.00 22.22 H new ATOM 0 HA ASP A 58 7.488 33.058 6.275 1.00 23.10 H new ATOM 0 HB2 ASP A 58 8.019 32.402 3.360 1.00 60.34 H new ATOM 0 HB3 ASP A 58 8.409 33.970 4.039 1.00 60.34 H new ATOM 901 N LEU A 59 5.359 34.305 5.894 1.00 12.41 N ATOM 902 CA LEU A 59 4.239 35.208 5.656 1.00 61.11 C ATOM 903 C LEU A 59 4.538 36.601 6.202 1.00 53.10 C ATOM 904 O LEU A 59 5.334 36.776 7.124 1.00 43.12 O ATOM 905 CB LEU A 59 2.967 34.657 6.303 1.00 61.24 C ATOM 906 CG LEU A 59 2.840 33.133 6.344 1.00 41.24 C ATOM 907 CD1 LEU A 59 1.498 32.725 6.931 1.00 32.21 C ATOM 908 CD2 LEU A 59 3.016 32.546 4.951 1.00 1.12 C ATOM 0 H LEU A 59 5.613 34.198 6.876 1.00 12.41 H new ATOM 0 HA LEU A 59 4.088 35.284 4.579 1.00 61.11 H new ATOM 0 HB2 LEU A 59 2.910 35.034 7.324 1.00 61.24 H new ATOM 0 HB3 LEU A 59 2.107 35.059 5.767 1.00 61.24 H new ATOM 0 HG LEU A 59 3.628 32.739 6.985 1.00 41.24 H new ATOM 0 HD11 LEU A 59 1.426 31.638 6.952 1.00 32.21 H new ATOM 0 HD12 LEU A 59 1.411 33.114 7.945 1.00 32.21 H new ATOM 0 HD13 LEU A 59 0.694 33.130 6.317 1.00 32.21 H new ATOM 0 HD21 LEU A 59 2.923 31.461 4.999 1.00 1.12 H new ATOM 0 HD22 LEU A 59 2.250 32.947 4.288 1.00 1.12 H new ATOM 0 HD23 LEU A 59 4.002 32.809 4.567 1.00 1.12 H new ATOM 920 N PRO A 60 3.882 37.617 5.621 1.00 72.34 N ATOM 921 CA PRO A 60 4.059 39.013 6.034 1.00 43.15 C ATOM 922 C PRO A 60 3.467 39.289 7.411 1.00 50.24 C ATOM 923 O PRO A 60 4.166 39.223 8.422 1.00 44.12 O ATOM 924 CB PRO A 60 3.304 39.799 4.960 1.00 2.43 C ATOM 925 CG PRO A 60 2.287 38.845 4.436 1.00 40.55 C ATOM 926 CD PRO A 60 2.918 37.482 4.516 1.00 50.31 C ATOM 0 HA PRO A 60 5.112 39.283 6.118 1.00 43.15 H new ATOM 0 HB2 PRO A 60 2.833 40.689 5.378 1.00 2.43 H new ATOM 0 HB3 PRO A 60 3.976 40.135 4.170 1.00 2.43 H new ATOM 0 HG2 PRO A 60 1.372 38.887 5.027 1.00 40.55 H new ATOM 0 HG3 PRO A 60 2.015 39.090 3.409 1.00 40.55 H new ATOM 0 HD2 PRO A 60 2.178 36.708 4.720 1.00 50.31 H new ATOM 0 HD3 PRO A 60 3.412 37.212 3.582 1.00 50.31 H new ATOM 934 N GLU A 61 2.174 39.597 7.443 1.00 62.44 N ATOM 935 CA GLU A 61 1.488 39.883 8.698 1.00 50.50 C ATOM 936 C GLU A 61 0.000 40.125 8.462 1.00 12.05 C ATOM 937 O GLU A 61 -0.382 40.936 7.620 1.00 32.42 O ATOM 938 CB GLU A 61 2.113 41.103 9.379 1.00 73.34 C ATOM 939 CG GLU A 61 1.369 41.550 10.627 1.00 52.41 C ATOM 940 CD GLU A 61 0.211 42.477 10.314 1.00 72.55 C ATOM 941 OE1 GLU A 61 0.361 43.331 9.416 1.00 43.41 O ATOM 942 OE2 GLU A 61 -0.845 42.349 10.968 1.00 35.02 O1- ATOM 0 H GLU A 61 1.581 39.655 6.615 1.00 62.44 H new ATOM 0 HA GLU A 61 1.598 39.016 9.349 1.00 50.50 H new ATOM 0 HB2 GLU A 61 3.145 40.872 9.644 1.00 73.34 H new ATOM 0 HB3 GLU A 61 2.144 41.929 8.669 1.00 73.34 H new ATOM 0 HG2 GLU A 61 0.995 40.674 11.156 1.00 52.41 H new ATOM 0 HG3 GLU A 61 2.063 42.056 11.298 1.00 52.41 H new ATOM 949 N GLY A 62 -0.835 39.414 9.214 1.00 54.52 N ATOM 950 CA GLY A 62 -2.272 39.565 9.072 1.00 52.00 C ATOM 951 C GLY A 62 -3.009 38.246 9.197 1.00 61.55 C ATOM 952 O GLY A 62 -2.969 37.604 10.246 1.00 51.12 O ATOM 0 H GLY A 62 -0.543 38.737 9.918 1.00 54.52 H new ATOM 0 HA2 GLY A 62 -2.638 40.256 9.831 1.00 52.00 H new ATOM 0 HA3 GLY A 62 -2.493 40.011 8.102 1.00 52.00 H new ATOM 956 N GLU A 63 -3.683 37.842 8.126 1.00 53.44 N ATOM 957 CA GLU A 63 -4.434 36.592 8.122 1.00 52.42 C ATOM 958 C GLU A 63 -4.179 35.808 6.838 1.00 71.45 C ATOM 959 O GLU A 63 -4.177 36.401 5.760 1.00 35.41 O ATOM 960 CB GLU A 63 -5.931 36.869 8.274 1.00 13.45 C ATOM 961 CG GLU A 63 -6.800 35.636 8.097 1.00 1.11 C ATOM 962 CD GLU A 63 -8.281 35.954 8.149 1.00 63.01 C ATOM 963 OE1 GLU A 63 -8.692 36.719 9.047 1.00 35.44 O ATOM 964 OE2 GLU A 63 -9.031 35.438 7.293 1.00 62.20 O1- ATOM 0 H GLU A 63 -3.725 38.362 7.249 1.00 53.44 H new ATOM 0 HA GLU A 63 -4.095 35.993 8.967 1.00 52.42 H new ATOM 0 HB2 GLU A 63 -6.115 37.294 9.261 1.00 13.45 H new ATOM 0 HB3 GLU A 63 -6.229 37.621 7.543 1.00 13.45 H new ATOM 0 HG2 GLU A 63 -6.567 35.166 7.142 1.00 1.11 H new ATOM 0 HG3 GLU A 63 -6.560 34.912 8.876 1.00 1.11 H new ATOM 971 N HIS A 64 -3.971 34.507 6.980 1.00 3.13 N ATOM 972 CA HIS A 64 -3.717 33.659 5.827 1.00 20.42 C ATOM 973 C HIS A 64 -4.397 32.304 6.027 1.00 42.53 C ATOM 974 O HIS A 64 -4.517 31.793 7.140 1.00 73.42 O ATOM 975 CB HIS A 64 -2.215 33.537 5.564 1.00 3.20 C ATOM 976 CG HIS A 64 -1.452 34.826 5.754 1.00 31.31 C ATOM 977 ND1 HIS A 64 -1.042 35.458 6.890 1.00 32.22 N flip ATOM 978 CD2 HIS A 64 -1.028 35.609 4.694 1.00 2.30 C flip ATOM 979 CE1 HIS A 64 -0.400 36.568 6.544 1.00 4.25 C flip ATOM 980 NE2 HIS A 64 -0.390 36.663 5.183 1.00 51.03 N flip ATOM 0 H HIS A 64 -3.973 34.019 7.876 1.00 3.13 H new ATOM 0 HA HIS A 64 -4.147 34.113 4.934 1.00 20.42 H new ATOM 0 HB2 HIS A 64 -1.800 32.780 6.229 1.00 3.20 H new ATOM 0 HB3 HIS A 64 -2.063 33.183 4.544 1.00 3.20 H new ATOM 0 HD1 HIS A 64 -1.201 35.134 7.844 1.00 32.22 H new ATOM 0 HD2 HIS A 64 -1.189 35.397 3.647 1.00 2.30 H new ATOM 0 HE1 HIS A 64 0.041 37.278 7.227 1.00 4.25 H new ATOM 988 N GLN A 65 -4.842 31.728 4.915 1.00 53.30 N ATOM 989 CA GLN A 65 -5.513 30.434 4.939 1.00 30.02 C ATOM 990 C GLN A 65 -4.523 29.303 4.679 1.00 12.33 C ATOM 991 O GLN A 65 -3.477 29.510 4.064 1.00 60.12 O ATOM 992 CB GLN A 65 -6.633 30.397 3.900 1.00 12.55 C ATOM 993 CG GLN A 65 -7.938 31.005 4.390 1.00 10.33 C ATOM 994 CD GLN A 65 -8.565 30.211 5.518 1.00 53.50 C ATOM 995 OE1 GLN A 65 -8.943 30.768 6.549 1.00 5.54 O ATOM 996 NE2 GLN A 65 -8.679 28.902 5.329 1.00 52.31 N ATOM 0 H GLN A 65 -4.750 32.138 3.985 1.00 53.30 H new ATOM 0 HA GLN A 65 -5.944 30.294 5.931 1.00 30.02 H new ATOM 0 HB2 GLN A 65 -6.306 30.930 3.007 1.00 12.55 H new ATOM 0 HB3 GLN A 65 -6.811 29.362 3.607 1.00 12.55 H new ATOM 0 HG2 GLN A 65 -7.755 32.025 4.727 1.00 10.33 H new ATOM 0 HG3 GLN A 65 -8.641 31.065 3.559 1.00 10.33 H new ATOM 0 HE21 GLN A 65 -8.352 28.482 4.459 1.00 52.31 H new ATOM 0 HE22 GLN A 65 -9.093 28.316 6.054 1.00 52.31 H new ATOM 1005 N TYR A 66 -4.861 28.108 5.151 1.00 44.22 N ATOM 1006 CA TYR A 66 -4.001 26.944 4.971 1.00 44.05 C ATOM 1007 C TYR A 66 -4.754 25.656 5.288 1.00 74.13 C ATOM 1008 O TYR A 66 -5.869 25.686 5.810 1.00 55.35 O ATOM 1009 CB TYR A 66 -2.764 27.056 5.863 1.00 51.25 C ATOM 1010 CG TYR A 66 -3.023 26.694 7.308 1.00 25.41 C ATOM 1011 CD1 TYR A 66 -3.781 27.522 8.126 1.00 60.42 C ATOM 1012 CD2 TYR A 66 -2.512 25.523 7.854 1.00 33.23 C ATOM 1013 CE1 TYR A 66 -4.020 27.195 9.448 1.00 74.14 C ATOM 1014 CE2 TYR A 66 -2.747 25.188 9.173 1.00 54.24 C ATOM 1015 CZ TYR A 66 -3.501 26.028 9.966 1.00 3.41 C ATOM 1016 OH TYR A 66 -3.739 25.698 11.281 1.00 4.23 O ATOM 0 H TYR A 66 -5.724 27.920 5.661 1.00 44.22 H new ATOM 0 HA TYR A 66 -3.688 26.913 3.927 1.00 44.05 H new ATOM 0 HB2 TYR A 66 -1.983 26.406 5.469 1.00 51.25 H new ATOM 0 HB3 TYR A 66 -2.384 28.076 5.816 1.00 51.25 H new ATOM 0 HD1 TYR A 66 -4.190 28.436 7.723 1.00 60.42 H new ATOM 0 HD2 TYR A 66 -1.921 24.863 7.236 1.00 33.23 H new ATOM 0 HE1 TYR A 66 -4.610 27.850 10.071 1.00 74.14 H new ATOM 0 HE2 TYR A 66 -2.343 24.274 9.581 1.00 54.24 H new ATOM 0 HH TYR A 66 -3.568 26.477 11.850 1.00 4.23 H new ATOM 1026 N LYS A 67 -4.138 24.524 4.967 1.00 63.21 N ATOM 1027 CA LYS A 67 -4.747 23.223 5.218 1.00 53.24 C ATOM 1028 C LYS A 67 -3.680 22.164 5.477 1.00 15.33 C ATOM 1029 O LYS A 67 -2.492 22.395 5.246 1.00 64.42 O ATOM 1030 CB LYS A 67 -5.616 22.807 4.029 1.00 51.31 C ATOM 1031 CG LYS A 67 -4.826 22.543 2.759 1.00 50.42 C ATOM 1032 CD LYS A 67 -4.521 21.064 2.590 1.00 54.14 C ATOM 1033 CE LYS A 67 -3.510 20.828 1.477 1.00 21.22 C ATOM 1034 NZ LYS A 67 -4.084 21.121 0.135 1.00 73.50 N1+ ATOM 0 H LYS A 67 -3.216 24.481 4.532 1.00 63.21 H new ATOM 0 HA LYS A 67 -5.373 23.307 6.106 1.00 53.24 H new ATOM 0 HB2 LYS A 67 -6.172 21.908 4.294 1.00 51.31 H new ATOM 0 HB3 LYS A 67 -6.349 23.590 3.834 1.00 51.31 H new ATOM 0 HG2 LYS A 67 -5.390 22.900 1.897 1.00 50.42 H new ATOM 0 HG3 LYS A 67 -3.894 23.107 2.785 1.00 50.42 H new ATOM 0 HD2 LYS A 67 -4.134 20.662 3.526 1.00 54.14 H new ATOM 0 HD3 LYS A 67 -5.442 20.524 2.368 1.00 54.14 H new ATOM 0 HE2 LYS A 67 -2.635 21.456 1.642 1.00 21.22 H new ATOM 0 HE3 LYS A 67 -3.170 19.793 1.509 1.00 21.22 H new ATOM 0 HZ1 LYS A 67 -3.437 20.775 -0.602 1.00 73.50 H new ATOM 0 HZ2 LYS A 67 -5.004 20.646 0.040 1.00 73.50 H new ATOM 0 HZ3 LYS A 67 -4.212 22.148 0.029 1.00 73.50 H new ATOM 1048 N PHE A 68 -4.111 21.001 5.955 1.00 0.43 N ATOM 1049 CA PHE A 68 -3.192 19.906 6.244 1.00 43.24 C ATOM 1050 C PHE A 68 -3.415 18.741 5.283 1.00 51.11 C ATOM 1051 O PHE A 68 -4.538 18.485 4.851 1.00 1.31 O ATOM 1052 CB PHE A 68 -3.369 19.432 7.688 1.00 73.30 C ATOM 1053 CG PHE A 68 -2.706 20.324 8.697 1.00 43.41 C ATOM 1054 CD1 PHE A 68 -1.340 20.553 8.649 1.00 41.10 C ATOM 1055 CD2 PHE A 68 -3.448 20.934 9.696 1.00 14.15 C ATOM 1056 CE1 PHE A 68 -0.727 21.373 9.577 1.00 25.24 C ATOM 1057 CE2 PHE A 68 -2.841 21.756 10.626 1.00 73.42 C ATOM 1058 CZ PHE A 68 -1.478 21.976 10.567 1.00 11.45 C ATOM 0 H PHE A 68 -5.090 20.793 6.150 1.00 0.43 H new ATOM 0 HA PHE A 68 -2.174 20.274 6.112 1.00 43.24 H new ATOM 0 HB2 PHE A 68 -4.434 19.370 7.914 1.00 73.30 H new ATOM 0 HB3 PHE A 68 -2.964 18.425 7.784 1.00 73.30 H new ATOM 0 HD1 PHE A 68 -0.747 20.085 7.877 1.00 41.10 H new ATOM 0 HD2 PHE A 68 -4.513 20.765 9.748 1.00 14.15 H new ATOM 0 HE1 PHE A 68 0.339 21.542 9.528 1.00 25.24 H new ATOM 0 HE2 PHE A 68 -3.431 22.226 11.399 1.00 73.42 H new ATOM 0 HZ PHE A 68 -1.001 22.618 11.293 1.00 11.45 H new ATOM 1068 N PHE A 69 -2.335 18.040 4.953 1.00 45.12 N ATOM 1069 CA PHE A 69 -2.410 16.904 4.042 1.00 72.31 C ATOM 1070 C PHE A 69 -1.666 15.700 4.611 1.00 34.23 C ATOM 1071 O PHE A 69 -0.436 15.659 4.611 1.00 4.23 O ATOM 1072 CB PHE A 69 -1.829 17.278 2.677 1.00 74.52 C ATOM 1073 CG PHE A 69 -2.528 16.614 1.526 1.00 34.54 C ATOM 1074 CD1 PHE A 69 -3.901 16.732 1.369 1.00 61.42 C ATOM 1075 CD2 PHE A 69 -1.814 15.870 0.600 1.00 34.50 C ATOM 1076 CE1 PHE A 69 -4.547 16.123 0.310 1.00 54.41 C ATOM 1077 CE2 PHE A 69 -2.455 15.259 -0.462 1.00 50.31 C ATOM 1078 CZ PHE A 69 -3.824 15.385 -0.605 1.00 73.11 C ATOM 0 H PHE A 69 -1.398 18.239 5.303 1.00 45.12 H new ATOM 0 HA PHE A 69 -3.460 16.636 3.921 1.00 72.31 H new ATOM 0 HB2 PHE A 69 -1.885 18.359 2.551 1.00 74.52 H new ATOM 0 HB3 PHE A 69 -0.773 17.009 2.654 1.00 74.52 H new ATOM 0 HD1 PHE A 69 -4.472 17.307 2.083 1.00 61.42 H new ATOM 0 HD2 PHE A 69 -0.745 15.766 0.709 1.00 34.50 H new ATOM 0 HE1 PHE A 69 -5.616 16.224 0.199 1.00 54.41 H new ATOM 0 HE2 PHE A 69 -1.887 14.684 -1.179 1.00 50.31 H new ATOM 0 HZ PHE A 69 -4.327 14.906 -1.432 1.00 73.11 H new ATOM 1088 N VAL A 70 -2.422 14.720 5.098 1.00 45.13 N ATOM 1089 CA VAL A 70 -1.835 13.515 5.671 1.00 12.31 C ATOM 1090 C VAL A 70 -2.353 12.265 4.969 1.00 74.44 C ATOM 1091 O VAL A 70 -3.556 12.114 4.753 1.00 2.54 O ATOM 1092 CB VAL A 70 -2.136 13.405 7.178 1.00 34.31 C ATOM 1093 CG1 VAL A 70 -1.363 12.249 7.793 1.00 42.23 C ATOM 1094 CG2 VAL A 70 -1.806 14.713 7.882 1.00 33.01 C ATOM 0 H VAL A 70 -3.442 14.738 5.107 1.00 45.13 H new ATOM 0 HA VAL A 70 -0.757 13.589 5.528 1.00 12.31 H new ATOM 0 HB VAL A 70 -3.200 13.208 7.306 1.00 34.31 H new ATOM 0 HG11 VAL A 70 -1.588 12.186 8.858 1.00 42.23 H new ATOM 0 HG12 VAL A 70 -1.652 11.318 7.306 1.00 42.23 H new ATOM 0 HG13 VAL A 70 -0.294 12.413 7.657 1.00 42.23 H new ATOM 0 HG21 VAL A 70 -2.024 14.619 8.946 1.00 33.01 H new ATOM 0 HG22 VAL A 70 -0.749 14.942 7.747 1.00 33.01 H new ATOM 0 HG23 VAL A 70 -2.408 15.516 7.458 1.00 33.01 H new ATOM 1104 N ASP A 71 -1.438 11.370 4.614 1.00 1.00 N ATOM 1105 CA ASP A 71 -1.802 10.131 3.936 1.00 43.14 C ATOM 1106 C ASP A 71 -2.609 10.418 2.674 1.00 50.35 C ATOM 1107 O ASP A 71 -3.454 9.620 2.270 1.00 35.40 O ATOM 1108 CB ASP A 71 -2.605 9.229 4.876 1.00 2.43 C ATOM 1109 CG ASP A 71 -2.546 7.770 4.466 1.00 3.42 C ATOM 1110 OD1 ASP A 71 -1.971 7.476 3.397 1.00 70.50 O ATOM 1111 OD2 ASP A 71 -3.074 6.922 5.216 1.00 33.12 O1- ATOM 0 H ASP A 71 -0.438 11.479 4.784 1.00 1.00 H new ATOM 0 HA ASP A 71 -0.884 9.619 3.649 1.00 43.14 H new ATOM 0 HB2 ASP A 71 -2.222 9.334 5.891 1.00 2.43 H new ATOM 0 HB3 ASP A 71 -3.644 9.558 4.891 1.00 2.43 H new ATOM 1116 N GLY A 72 -2.343 11.565 2.056 1.00 50.22 N ATOM 1117 CA GLY A 72 -3.053 11.939 0.847 1.00 61.42 C ATOM 1118 C GLY A 72 -4.520 12.223 1.100 1.00 44.45 C ATOM 1119 O GLY A 72 -5.350 12.081 0.203 1.00 1.33 O ATOM 0 H GLY A 72 -1.648 12.242 2.371 1.00 50.22 H new ATOM 0 HA2 GLY A 72 -2.585 12.822 0.413 1.00 61.42 H new ATOM 0 HA3 GLY A 72 -2.963 11.138 0.114 1.00 61.42 H new ATOM 1123 N GLN A 73 -4.840 12.623 2.327 1.00 51.05 N ATOM 1124 CA GLN A 73 -6.218 12.926 2.696 1.00 43.53 C ATOM 1125 C GLN A 73 -6.309 14.278 3.398 1.00 15.15 C ATOM 1126 O GLN A 73 -5.372 14.701 4.073 1.00 61.23 O ATOM 1127 CB GLN A 73 -6.777 11.829 3.604 1.00 0.22 C ATOM 1128 CG GLN A 73 -7.419 10.679 2.843 1.00 40.22 C ATOM 1129 CD GLN A 73 -8.519 9.998 3.632 1.00 75.24 C ATOM 1130 OE1 GLN A 73 -9.607 9.748 3.113 1.00 21.24 O ATOM 1131 NE2 GLN A 73 -8.242 9.696 4.895 1.00 65.41 N ATOM 0 H GLN A 73 -4.164 12.745 3.081 1.00 51.05 H new ATOM 0 HA GLN A 73 -6.811 12.970 1.783 1.00 43.53 H new ATOM 0 HB2 GLN A 73 -5.972 11.438 4.226 1.00 0.22 H new ATOM 0 HB3 GLN A 73 -7.515 12.266 4.276 1.00 0.22 H new ATOM 0 HG2 GLN A 73 -7.829 11.053 1.905 1.00 40.22 H new ATOM 0 HG3 GLN A 73 -6.654 9.946 2.587 1.00 40.22 H new ATOM 0 HE21 GLN A 73 -7.327 9.922 5.284 1.00 65.41 H new ATOM 0 HE22 GLN A 73 -8.945 9.238 5.476 1.00 65.41 H new ATOM 1140 N TRP A 74 -7.443 14.949 3.232 1.00 43.42 N ATOM 1141 CA TRP A 74 -7.657 16.253 3.849 1.00 50.15 C ATOM 1142 C TRP A 74 -8.054 16.104 5.314 1.00 34.22 C ATOM 1143 O TRP A 74 -8.970 15.351 5.645 1.00 13.41 O ATOM 1144 CB TRP A 74 -8.735 17.028 3.092 1.00 44.15 C ATOM 1145 CG TRP A 74 -8.449 17.169 1.628 1.00 14.24 C ATOM 1146 CD1 TRP A 74 -8.577 16.202 0.671 1.00 12.12 C ATOM 1147 CD2 TRP A 74 -7.983 18.343 0.954 1.00 71.21 C ATOM 1148 NE1 TRP A 74 -8.219 16.705 -0.557 1.00 23.51 N ATOM 1149 CE2 TRP A 74 -7.852 18.016 -0.410 1.00 41.42 C ATOM 1150 CE3 TRP A 74 -7.667 19.639 1.370 1.00 71.12 C ATOM 1151 CZ2 TRP A 74 -7.417 18.940 -1.358 1.00 12.21 C ATOM 1152 CZ3 TRP A 74 -7.235 20.554 0.428 1.00 44.24 C ATOM 1153 CH2 TRP A 74 -7.113 20.201 -0.923 1.00 51.10 C ATOM 0 H TRP A 74 -8.228 14.612 2.675 1.00 43.42 H new ATOM 0 HA TRP A 74 -6.720 16.808 3.801 1.00 50.15 H new ATOM 0 HB2 TRP A 74 -9.693 16.524 3.221 1.00 44.15 H new ATOM 0 HB3 TRP A 74 -8.836 18.020 3.532 1.00 44.15 H new ATOM 0 HD1 TRP A 74 -8.910 15.191 0.853 1.00 12.12 H new ATOM 0 HE1 TRP A 74 -8.226 16.186 -1.435 1.00 23.51 H new ATOM 0 HE3 TRP A 74 -7.759 19.921 2.409 1.00 71.12 H new ATOM 0 HZ2 TRP A 74 -7.323 18.670 -2.400 1.00 12.21 H new ATOM 0 HZ3 TRP A 74 -6.987 21.558 0.738 1.00 44.24 H new ATOM 0 HH2 TRP A 74 -6.772 20.939 -1.634 1.00 51.10 H new ATOM 1164 N VAL A 75 -7.359 16.826 6.188 1.00 2.43 N ATOM 1165 CA VAL A 75 -7.641 16.774 7.617 1.00 44.01 C ATOM 1166 C VAL A 75 -7.450 18.140 8.264 1.00 31.52 C ATOM 1167 O VAL A 75 -6.760 19.005 7.722 1.00 30.21 O ATOM 1168 CB VAL A 75 -6.739 15.750 8.331 1.00 3.12 C ATOM 1169 CG1 VAL A 75 -7.112 14.333 7.919 1.00 12.40 C ATOM 1170 CG2 VAL A 75 -5.275 16.032 8.034 1.00 31.10 C ATOM 0 H VAL A 75 -6.597 17.453 5.931 1.00 2.43 H new ATOM 0 HA VAL A 75 -8.681 16.466 7.723 1.00 44.01 H new ATOM 0 HB VAL A 75 -6.892 15.843 9.406 1.00 3.12 H new ATOM 0 HG11 VAL A 75 -6.465 13.622 8.433 1.00 12.40 H new ATOM 0 HG12 VAL A 75 -8.150 14.138 8.187 1.00 12.40 H new ATOM 0 HG13 VAL A 75 -6.988 14.223 6.842 1.00 12.40 H new ATOM 0 HG21 VAL A 75 -4.652 15.299 8.546 1.00 31.10 H new ATOM 0 HG22 VAL A 75 -5.103 15.967 6.960 1.00 31.10 H new ATOM 0 HG23 VAL A 75 -5.019 17.033 8.383 1.00 31.10 H new ATOM 1180 N HIS A 76 -8.065 18.330 9.428 1.00 63.01 N ATOM 1181 CA HIS A 76 -7.961 19.592 10.152 1.00 74.30 C ATOM 1182 C HIS A 76 -7.404 19.371 11.554 1.00 62.21 C ATOM 1183 O HIS A 76 -7.420 18.253 12.070 1.00 72.04 O ATOM 1184 CB HIS A 76 -9.329 20.270 10.235 1.00 70.12 C ATOM 1185 CG HIS A 76 -10.252 19.637 11.231 1.00 2.15 C ATOM 1186 ND1 HIS A 76 -10.496 19.940 12.527 1.00 13.43 N flip ATOM 1187 CD2 HIS A 76 -11.052 18.555 10.933 1.00 41.33 C flip ATOM 1188 CE1 HIS A 76 -11.432 19.044 12.985 1.00 11.05 C flip ATOM 1189 NE2 HIS A 76 -11.750 18.219 12.003 1.00 32.15 N flip ATOM 0 H HIS A 76 -8.641 17.626 9.890 1.00 63.01 H new ATOM 0 HA HIS A 76 -7.275 20.240 9.606 1.00 74.30 H new ATOM 0 HB2 HIS A 76 -9.190 21.319 10.496 1.00 70.12 H new ATOM 0 HB3 HIS A 76 -9.798 20.246 9.251 1.00 70.12 H new ATOM 0 HD2 HIS A 76 -11.101 18.059 9.975 1.00 41.33 H new ATOM 0 HE1 HIS A 76 -11.841 19.018 13.984 1.00 11.05 H new ATOM 0 HE2 HIS A 76 -12.421 17.453 12.061 1.00 32.15 H new ATOM 1197 N ASP A 77 -6.910 20.442 12.165 1.00 1.43 N ATOM 1198 CA ASP A 77 -6.347 20.365 13.508 1.00 33.21 C ATOM 1199 C ASP A 77 -7.362 20.827 14.549 1.00 70.34 C ATOM 1200 O ASP A 77 -7.909 21.927 14.472 1.00 64.41 O ATOM 1201 CB ASP A 77 -5.078 21.213 13.602 1.00 62.43 C ATOM 1202 CG ASP A 77 -4.391 21.081 14.948 1.00 63.34 C ATOM 1203 OD1 ASP A 77 -4.005 19.949 15.308 1.00 41.33 O ATOM 1204 OD2 ASP A 77 -4.239 22.109 15.639 1.00 44.05 O1- ATOM 0 H ASP A 77 -6.888 21.374 11.752 1.00 1.43 H new ATOM 0 HA ASP A 77 -6.094 19.324 13.710 1.00 33.21 H new ATOM 0 HB2 ASP A 77 -4.386 20.915 12.814 1.00 62.43 H new ATOM 0 HB3 ASP A 77 -5.330 22.259 13.427 1.00 62.43 H new ATOM 1209 N PRO A 78 -7.619 19.968 15.548 1.00 20.45 N ATOM 1210 CA PRO A 78 -8.569 20.267 16.623 1.00 45.12 C ATOM 1211 C PRO A 78 -8.059 21.356 17.561 1.00 52.21 C ATOM 1212 O PRO A 78 -8.841 22.013 18.248 1.00 23.20 O ATOM 1213 CB PRO A 78 -8.691 18.935 17.368 1.00 71.01 C ATOM 1214 CG PRO A 78 -7.412 18.226 17.089 1.00 2.41 C ATOM 1215 CD PRO A 78 -7.003 18.641 15.703 1.00 33.02 C ATOM 0 HA PRO A 78 -9.516 20.644 16.237 1.00 45.12 H new ATOM 0 HB2 PRO A 78 -8.832 19.091 18.438 1.00 71.01 H new ATOM 0 HB3 PRO A 78 -9.547 18.361 17.014 1.00 71.01 H new ATOM 0 HG2 PRO A 78 -6.649 18.496 17.819 1.00 2.41 H new ATOM 0 HG3 PRO A 78 -7.543 17.146 17.150 1.00 2.41 H new ATOM 0 HD2 PRO A 78 -5.919 18.687 15.601 1.00 33.02 H new ATOM 0 HD3 PRO A 78 -7.364 17.940 14.951 1.00 33.02 H new ATOM 1223 N SER A 79 -6.744 21.543 17.583 1.00 35.34 N ATOM 1224 CA SER A 79 -6.130 22.551 18.440 1.00 5.14 C ATOM 1225 C SER A 79 -6.166 23.924 17.776 1.00 2.34 C ATOM 1226 O SER A 79 -6.191 24.951 18.452 1.00 53.41 O ATOM 1227 CB SER A 79 -4.684 22.166 18.761 1.00 42.01 C ATOM 1228 OG SER A 79 -4.612 21.410 19.957 1.00 3.14 O ATOM 0 H SER A 79 -6.083 21.010 17.018 1.00 35.34 H new ATOM 0 HA SER A 79 -6.701 22.600 19.367 1.00 5.14 H new ATOM 0 HB2 SER A 79 -4.266 21.589 17.936 1.00 42.01 H new ATOM 0 HB3 SER A 79 -4.078 23.066 18.859 1.00 42.01 H new ATOM 0 HG SER A 79 -3.678 21.175 20.140 1.00 3.14 H new ATOM 1234 N GLU A 80 -6.170 23.931 16.447 1.00 34.21 N ATOM 1235 CA GLU A 80 -6.204 25.177 15.690 1.00 31.11 C ATOM 1236 C GLU A 80 -7.605 25.447 15.148 1.00 4.43 C ATOM 1237 O GLU A 80 -8.437 24.548 15.032 1.00 53.10 O ATOM 1238 CB GLU A 80 -5.200 25.127 14.537 1.00 21.12 C ATOM 1239 CG GLU A 80 -3.795 25.549 14.934 1.00 61.25 C ATOM 1240 CD GLU A 80 -3.567 27.039 14.776 1.00 12.23 C ATOM 1241 OE1 GLU A 80 -3.455 27.502 13.620 1.00 23.05 O ATOM 1242 OE2 GLU A 80 -3.501 27.742 15.805 1.00 54.30 O1- ATOM 0 H GLU A 80 -6.150 23.088 15.872 1.00 34.21 H new ATOM 0 HA GLU A 80 -5.932 25.989 16.364 1.00 31.11 H new ATOM 0 HB2 GLU A 80 -5.167 24.113 14.139 1.00 21.12 H new ATOM 0 HB3 GLU A 80 -5.551 25.774 13.733 1.00 21.12 H new ATOM 0 HG2 GLU A 80 -3.614 25.265 15.971 1.00 61.25 H new ATOM 0 HG3 GLU A 80 -3.071 25.008 14.324 1.00 61.25 H new ATOM 1249 N PRO A 81 -7.873 26.717 14.809 1.00 71.34 N ATOM 1250 CA PRO A 81 -9.171 27.137 14.275 1.00 12.23 C ATOM 1251 C PRO A 81 -9.417 26.606 12.866 1.00 54.22 C ATOM 1252 O PRO A 81 -8.506 26.566 12.039 1.00 51.34 O ATOM 1253 CB PRO A 81 -9.072 28.665 14.260 1.00 53.15 C ATOM 1254 CG PRO A 81 -7.613 28.949 14.169 1.00 44.41 C ATOM 1255 CD PRO A 81 -6.928 27.842 14.922 1.00 34.31 C ATOM 0 HA PRO A 81 -10.000 26.756 14.872 1.00 12.23 H new ATOM 0 HB2 PRO A 81 -9.611 29.088 13.413 1.00 53.15 H new ATOM 0 HB3 PRO A 81 -9.504 29.099 15.162 1.00 53.15 H new ATOM 0 HG2 PRO A 81 -7.285 28.976 13.130 1.00 44.41 H new ATOM 0 HG3 PRO A 81 -7.377 29.921 14.603 1.00 44.41 H new ATOM 0 HD2 PRO A 81 -5.959 27.599 14.486 1.00 34.31 H new ATOM 0 HD3 PRO A 81 -6.750 28.114 15.962 1.00 34.31 H new ATOM 1263 N VAL A 82 -10.653 26.199 12.599 1.00 52.51 N ATOM 1264 CA VAL A 82 -11.019 25.671 11.290 1.00 44.45 C ATOM 1265 C VAL A 82 -12.098 26.528 10.634 1.00 64.55 C ATOM 1266 O VAL A 82 -12.971 27.071 11.311 1.00 3.43 O ATOM 1267 CB VAL A 82 -11.523 24.219 11.391 1.00 4.41 C ATOM 1268 CG1 VAL A 82 -10.492 23.345 12.089 1.00 71.24 C ATOM 1269 CG2 VAL A 82 -12.858 24.167 12.116 1.00 72.14 C ATOM 0 H VAL A 82 -11.419 26.225 13.272 1.00 52.51 H new ATOM 0 HA VAL A 82 -10.118 25.693 10.677 1.00 44.45 H new ATOM 0 HB VAL A 82 -11.670 23.832 10.383 1.00 4.41 H new ATOM 0 HG11 VAL A 82 -10.864 22.323 12.152 1.00 71.24 H new ATOM 0 HG12 VAL A 82 -9.561 23.358 11.523 1.00 71.24 H new ATOM 0 HG13 VAL A 82 -10.311 23.727 13.094 1.00 71.24 H new ATOM 0 HG21 VAL A 82 -13.198 23.133 12.178 1.00 72.14 H new ATOM 0 HG22 VAL A 82 -12.742 24.572 13.121 1.00 72.14 H new ATOM 0 HG23 VAL A 82 -13.592 24.759 11.569 1.00 72.14 H new ATOM 1279 N VAL A 83 -12.032 26.642 9.312 1.00 50.41 N ATOM 1280 CA VAL A 83 -13.004 27.430 8.564 1.00 1.01 C ATOM 1281 C VAL A 83 -13.821 26.549 7.626 1.00 10.44 C ATOM 1282 O VAL A 83 -13.563 25.351 7.499 1.00 73.11 O ATOM 1283 CB VAL A 83 -12.315 28.536 7.742 1.00 15.32 C ATOM 1284 CG1 VAL A 83 -11.411 29.377 8.629 1.00 40.22 C ATOM 1285 CG2 VAL A 83 -11.531 27.932 6.588 1.00 11.55 C ATOM 0 H VAL A 83 -11.316 26.199 8.737 1.00 50.41 H new ATOM 0 HA VAL A 83 -13.669 27.891 9.295 1.00 1.01 H new ATOM 0 HB VAL A 83 -13.084 29.188 7.327 1.00 15.32 H new ATOM 0 HG11 VAL A 83 -10.933 30.153 8.030 1.00 40.22 H new ATOM 0 HG12 VAL A 83 -12.004 29.841 9.417 1.00 40.22 H new ATOM 0 HG13 VAL A 83 -10.647 28.741 9.076 1.00 40.22 H new ATOM 0 HG21 VAL A 83 -11.051 28.728 6.018 1.00 11.55 H new ATOM 0 HG22 VAL A 83 -10.770 27.256 6.979 1.00 11.55 H new ATOM 0 HG23 VAL A 83 -12.209 27.378 5.938 1.00 11.55 H new ATOM 1295 N THR A 84 -14.808 27.150 6.969 1.00 44.21 N ATOM 1296 CA THR A 84 -15.665 26.420 6.042 1.00 74.32 C ATOM 1297 C THR A 84 -15.746 27.128 4.695 1.00 53.33 C ATOM 1298 O THR A 84 -16.273 28.236 4.596 1.00 51.12 O ATOM 1299 CB THR A 84 -17.087 26.250 6.608 1.00 3.04 C ATOM 1300 OG1 THR A 84 -17.048 26.241 8.039 1.00 23.43 O ATOM 1301 CG2 THR A 84 -17.720 24.961 6.103 1.00 25.03 C ATOM 0 H THR A 84 -15.034 28.140 7.061 1.00 44.21 H new ATOM 0 HA THR A 84 -15.217 25.436 5.905 1.00 74.32 H new ATOM 0 HB THR A 84 -17.692 27.090 6.268 1.00 3.04 H new ATOM 0 HG1 THR A 84 -17.957 26.134 8.390 1.00 23.43 H new ATOM 0 HG21 THR A 84 -18.724 24.862 6.516 1.00 25.03 H new ATOM 0 HG22 THR A 84 -17.776 24.985 5.015 1.00 25.03 H new ATOM 0 HG23 THR A 84 -17.114 24.111 6.416 1.00 25.03 H new ATOM 1309 N SER A 85 -15.223 26.480 3.659 1.00 12.31 N ATOM 1310 CA SER A 85 -15.234 27.050 2.316 1.00 62.15 C ATOM 1311 C SER A 85 -16.631 26.975 1.705 1.00 62.25 C ATOM 1312 O SER A 85 -17.534 26.361 2.272 1.00 25.40 O ATOM 1313 CB SER A 85 -14.233 26.319 1.421 1.00 73.20 C ATOM 1314 OG SER A 85 -12.949 26.911 1.501 1.00 45.01 O ATOM 0 H SER A 85 -14.786 25.560 3.723 1.00 12.31 H new ATOM 0 HA SER A 85 -14.945 28.098 2.390 1.00 62.15 H new ATOM 0 HB2 SER A 85 -14.173 25.272 1.717 1.00 73.20 H new ATOM 0 HB3 SER A 85 -14.582 26.339 0.389 1.00 73.20 H new ATOM 0 HG SER A 85 -12.327 26.424 0.921 1.00 45.01 H new ATOM 1320 N GLN A 86 -16.797 27.604 0.547 1.00 54.44 N ATOM 1321 CA GLN A 86 -18.083 27.609 -0.141 1.00 2.41 C ATOM 1322 C GLN A 86 -18.433 26.215 -0.649 1.00 50.10 C ATOM 1323 O GLN A 86 -19.604 25.894 -0.858 1.00 4.23 O ATOM 1324 CB GLN A 86 -18.058 28.600 -1.306 1.00 4.33 C ATOM 1325 CG GLN A 86 -17.811 30.037 -0.878 1.00 61.13 C ATOM 1326 CD GLN A 86 -18.611 30.425 0.351 1.00 54.21 C ATOM 1327 OE1 GLN A 86 -18.063 30.556 1.445 1.00 53.21 O ATOM 1328 NE2 GLN A 86 -19.914 30.612 0.175 1.00 50.44 N ATOM 0 H GLN A 86 -16.058 28.116 0.065 1.00 54.44 H new ATOM 0 HA GLN A 86 -18.848 27.918 0.572 1.00 2.41 H new ATOM 0 HB2 GLN A 86 -17.281 28.301 -2.010 1.00 4.33 H new ATOM 0 HB3 GLN A 86 -19.008 28.546 -1.838 1.00 4.33 H new ATOM 0 HG2 GLN A 86 -16.749 30.174 -0.674 1.00 61.13 H new ATOM 0 HG3 GLN A 86 -18.067 30.706 -1.700 1.00 61.13 H new ATOM 0 HE21 GLN A 86 -20.326 30.492 -0.750 1.00 50.44 H new ATOM 0 HE22 GLN A 86 -20.503 30.875 0.965 1.00 50.44 H new ATOM 1337 N LEU A 87 -17.412 25.389 -0.849 1.00 53.55 N ATOM 1338 CA LEU A 87 -17.612 24.028 -1.334 1.00 32.15 C ATOM 1339 C LEU A 87 -18.091 23.114 -0.211 1.00 71.20 C ATOM 1340 O LEU A 87 -18.602 22.023 -0.459 1.00 72.13 O ATOM 1341 CB LEU A 87 -16.313 23.483 -1.931 1.00 52.11 C ATOM 1342 CG LEU A 87 -16.468 22.383 -2.983 1.00 71.13 C ATOM 1343 CD1 LEU A 87 -15.314 22.426 -3.973 1.00 0.40 C ATOM 1344 CD2 LEU A 87 -16.553 21.017 -2.317 1.00 21.21 C ATOM 0 H LEU A 87 -16.437 25.638 -0.683 1.00 53.55 H new ATOM 0 HA LEU A 87 -18.379 24.054 -2.108 1.00 32.15 H new ATOM 0 HB2 LEU A 87 -15.766 24.313 -2.379 1.00 52.11 H new ATOM 0 HB3 LEU A 87 -15.697 23.097 -1.119 1.00 52.11 H new ATOM 0 HG LEU A 87 -17.395 22.556 -3.530 1.00 71.13 H new ATOM 0 HD11 LEU A 87 -15.441 21.637 -4.714 1.00 0.40 H new ATOM 0 HD12 LEU A 87 -15.300 23.394 -4.473 1.00 0.40 H new ATOM 0 HD13 LEU A 87 -14.374 22.278 -3.442 1.00 0.40 H new ATOM 0 HD21 LEU A 87 -16.663 20.246 -3.080 1.00 21.21 H new ATOM 0 HD22 LEU A 87 -15.643 20.834 -1.745 1.00 21.21 H new ATOM 0 HD23 LEU A 87 -17.414 20.991 -1.648 1.00 21.21 H new ATOM 1356 N GLY A 88 -17.924 23.569 1.028 1.00 42.12 N ATOM 1357 CA GLY A 88 -18.347 22.781 2.170 1.00 24.33 C ATOM 1358 C GLY A 88 -17.221 21.946 2.748 1.00 1.42 C ATOM 1359 O GLY A 88 -17.460 21.003 3.502 1.00 3.52 O ATOM 0 H GLY A 88 -17.503 24.469 1.260 1.00 42.12 H new ATOM 0 HA2 GLY A 88 -18.736 23.445 2.942 1.00 24.33 H new ATOM 0 HA3 GLY A 88 -19.165 22.125 1.872 1.00 24.33 H new ATOM 1363 N THR A 89 -15.988 22.292 2.392 1.00 71.55 N ATOM 1364 CA THR A 89 -14.820 21.567 2.877 1.00 55.20 C ATOM 1365 C THR A 89 -14.163 22.299 4.042 1.00 10.24 C ATOM 1366 O THR A 89 -13.912 23.502 3.968 1.00 41.43 O ATOM 1367 CB THR A 89 -13.779 21.366 1.759 1.00 22.31 C ATOM 1368 OG1 THR A 89 -13.120 22.604 1.475 1.00 42.53 O ATOM 1369 CG2 THR A 89 -14.439 20.834 0.496 1.00 71.24 C ATOM 0 H THR A 89 -15.772 23.070 1.769 1.00 71.55 H new ATOM 0 HA THR A 89 -15.171 20.592 3.216 1.00 55.20 H new ATOM 0 HB THR A 89 -13.046 20.636 2.102 1.00 22.31 H new ATOM 0 HG1 THR A 89 -12.459 22.467 0.765 1.00 42.53 H new ATOM 0 HG21 THR A 89 -13.685 20.700 -0.280 1.00 71.24 H new ATOM 0 HG22 THR A 89 -14.914 19.877 0.709 1.00 71.24 H new ATOM 0 HG23 THR A 89 -15.191 21.544 0.152 1.00 71.24 H new ATOM 1377 N ILE A 90 -13.886 21.566 5.115 1.00 15.44 N ATOM 1378 CA ILE A 90 -13.256 22.146 6.294 1.00 62.33 C ATOM 1379 C ILE A 90 -11.815 22.553 6.003 1.00 55.32 C ATOM 1380 O ILE A 90 -11.052 21.790 5.413 1.00 54.04 O ATOM 1381 CB ILE A 90 -13.271 21.165 7.481 1.00 62.51 C ATOM 1382 CG1 ILE A 90 -14.702 20.714 7.780 1.00 24.44 C ATOM 1383 CG2 ILE A 90 -12.646 21.809 8.709 1.00 41.13 C ATOM 1384 CD1 ILE A 90 -15.608 21.839 8.231 1.00 10.43 C ATOM 0 H ILE A 90 -14.088 20.569 5.192 1.00 15.44 H new ATOM 0 HA ILE A 90 -13.835 23.031 6.558 1.00 62.33 H new ATOM 0 HB ILE A 90 -12.681 20.288 7.215 1.00 62.51 H new ATOM 0 HG12 ILE A 90 -15.124 20.255 6.886 1.00 24.44 H new ATOM 0 HG13 ILE A 90 -14.678 19.945 8.553 1.00 24.44 H new ATOM 0 HG21 ILE A 90 -12.664 21.103 9.539 1.00 41.13 H new ATOM 0 HG22 ILE A 90 -11.615 22.085 8.490 1.00 41.13 H new ATOM 0 HG23 ILE A 90 -13.211 22.701 8.979 1.00 41.13 H new ATOM 0 HD11 ILE A 90 -16.606 21.447 8.425 1.00 10.43 H new ATOM 0 HD12 ILE A 90 -15.209 22.284 9.143 1.00 10.43 H new ATOM 0 HD13 ILE A 90 -15.662 22.598 7.450 1.00 10.43 H new ATOM 1396 N ASN A 91 -11.451 23.759 6.425 1.00 75.15 N ATOM 1397 CA ASN A 91 -10.101 24.268 6.211 1.00 52.40 C ATOM 1398 C ASN A 91 -9.519 24.827 7.506 1.00 14.34 C ATOM 1399 O ASN A 91 -10.159 24.785 8.555 1.00 44.21 O ATOM 1400 CB ASN A 91 -10.106 25.352 5.132 1.00 44.32 C ATOM 1401 CG ASN A 91 -9.836 24.792 3.748 1.00 63.13 C ATOM 1402 OD1 ASN A 91 -9.775 23.577 3.560 1.00 53.22 O ATOM 1403 ND2 ASN A 91 -9.671 25.678 2.773 1.00 51.12 N ATOM 0 H ASN A 91 -12.071 24.402 6.917 1.00 75.15 H new ATOM 0 HA ASN A 91 -9.476 23.439 5.880 1.00 52.40 H new ATOM 0 HB2 ASN A 91 -11.071 25.858 5.134 1.00 44.32 H new ATOM 0 HB3 ASN A 91 -9.352 26.102 5.371 1.00 44.32 H new ATOM 0 HD21 ASN A 91 -9.485 25.361 1.822 1.00 51.12 H new ATOM 0 HD22 ASN A 91 -9.730 26.676 2.975 1.00 51.12 H new ATOM 1410 N ASN A 92 -8.300 25.350 7.422 1.00 21.11 N ATOM 1411 CA ASN A 92 -7.631 25.919 8.588 1.00 25.44 C ATOM 1412 C ASN A 92 -7.255 27.376 8.341 1.00 42.41 C ATOM 1413 O ASN A 92 -6.869 27.751 7.234 1.00 75.33 O ATOM 1414 CB ASN A 92 -6.379 25.108 8.929 1.00 12.33 C ATOM 1415 CG ASN A 92 -6.618 23.612 8.847 1.00 70.44 C ATOM 1416 OD1 ASN A 92 -5.800 22.870 8.305 1.00 14.31 O ATOM 1417 ND2 ASN A 92 -7.746 23.164 9.386 1.00 64.12 N ATOM 0 H ASN A 92 -7.756 25.392 6.561 1.00 21.11 H new ATOM 0 HA ASN A 92 -8.323 25.878 9.429 1.00 25.44 H new ATOM 0 HB2 ASN A 92 -5.575 25.383 8.246 1.00 12.33 H new ATOM 0 HB3 ASN A 92 -6.046 25.365 9.934 1.00 12.33 H new ATOM 0 HD21 ASN A 92 -7.963 22.168 9.361 1.00 64.12 H new ATOM 0 HD22 ASN A 92 -8.396 23.816 9.825 1.00 64.12 H new ATOM 1424 N LEU A 93 -7.369 28.194 9.382 1.00 31.22 N ATOM 1425 CA LEU A 93 -7.040 29.613 9.280 1.00 13.40 C ATOM 1426 C LEU A 93 -5.903 29.977 10.229 1.00 33.45 C ATOM 1427 O LEU A 93 -5.966 29.696 11.426 1.00 13.31 O ATOM 1428 CB LEU A 93 -8.272 30.465 9.591 1.00 61.04 C ATOM 1429 CG LEU A 93 -8.032 31.969 9.720 1.00 55.34 C ATOM 1430 CD1 LEU A 93 -7.373 32.514 8.461 1.00 52.14 C ATOM 1431 CD2 LEU A 93 -9.339 32.697 9.997 1.00 44.50 C ATOM 0 H LEU A 93 -7.686 27.900 10.306 1.00 31.22 H new ATOM 0 HA LEU A 93 -6.715 29.814 8.259 1.00 13.40 H new ATOM 0 HB2 LEU A 93 -9.010 30.301 8.806 1.00 61.04 H new ATOM 0 HB3 LEU A 93 -8.712 30.106 10.522 1.00 61.04 H new ATOM 0 HG LEU A 93 -7.360 32.139 10.561 1.00 55.34 H new ATOM 0 HD11 LEU A 93 -7.210 33.586 8.571 1.00 52.14 H new ATOM 0 HD12 LEU A 93 -6.416 32.015 8.306 1.00 52.14 H new ATOM 0 HD13 LEU A 93 -8.020 32.332 7.603 1.00 52.14 H new ATOM 0 HD21 LEU A 93 -9.148 33.766 10.086 1.00 44.50 H new ATOM 0 HD22 LEU A 93 -10.035 32.519 9.177 1.00 44.50 H new ATOM 0 HD23 LEU A 93 -9.771 32.327 10.927 1.00 44.50 H new ATOM 1443 N ILE A 94 -4.865 30.606 9.686 1.00 72.12 N ATOM 1444 CA ILE A 94 -3.716 31.011 10.485 1.00 23.02 C ATOM 1445 C ILE A 94 -3.507 32.521 10.420 1.00 33.42 C ATOM 1446 O ILE A 94 -3.584 33.124 9.350 1.00 24.54 O ATOM 1447 CB ILE A 94 -2.429 30.306 10.018 1.00 3.41 C ATOM 1448 CG1 ILE A 94 -1.240 30.744 10.877 1.00 44.30 C ATOM 1449 CG2 ILE A 94 -2.166 30.600 8.549 1.00 53.44 C ATOM 1450 CD1 ILE A 94 -0.264 29.629 11.174 1.00 55.11 C ATOM 0 H ILE A 94 -4.797 30.846 8.697 1.00 72.12 H new ATOM 0 HA ILE A 94 -3.928 30.719 11.514 1.00 23.02 H new ATOM 0 HB ILE A 94 -2.560 29.230 10.134 1.00 3.41 H new ATOM 0 HG12 ILE A 94 -0.713 31.551 10.368 1.00 44.30 H new ATOM 0 HG13 ILE A 94 -1.612 31.150 11.818 1.00 44.30 H new ATOM 0 HG21 ILE A 94 -1.253 30.094 8.235 1.00 53.44 H new ATOM 0 HG22 ILE A 94 -3.004 30.242 7.951 1.00 53.44 H new ATOM 0 HG23 ILE A 94 -2.053 31.675 8.408 1.00 53.44 H new ATOM 0 HD11 ILE A 94 0.552 30.013 11.786 1.00 55.11 H new ATOM 0 HD12 ILE A 94 -0.776 28.831 11.711 1.00 55.11 H new ATOM 0 HD13 ILE A 94 0.137 29.238 10.239 1.00 55.11 H new ATOM 1462 N HIS A 95 -3.241 33.125 11.574 1.00 31.02 N ATOM 1463 CA HIS A 95 -3.018 34.565 11.648 1.00 3.12 C ATOM 1464 C HIS A 95 -1.561 34.872 11.985 1.00 23.15 C ATOM 1465 O HIS A 95 -0.920 34.141 12.739 1.00 22.42 O ATOM 1466 CB HIS A 95 -3.939 35.191 12.696 1.00 44.24 C ATOM 1467 CG HIS A 95 -5.395 34.977 12.418 1.00 42.15 C ATOM 1468 ND1 HIS A 95 -6.392 35.376 13.281 1.00 4.04 N ATOM 1469 CD2 HIS A 95 -6.020 34.401 11.364 1.00 31.11 C ATOM 1470 CE1 HIS A 95 -7.569 35.055 12.772 1.00 35.13 C ATOM 1471 NE2 HIS A 95 -7.370 34.461 11.608 1.00 25.13 N ATOM 0 H HIS A 95 -3.175 32.641 12.469 1.00 31.02 H new ATOM 0 HA HIS A 95 -3.245 34.994 10.672 1.00 3.12 H new ATOM 0 HB2 HIS A 95 -3.699 34.774 13.674 1.00 44.24 H new ATOM 0 HB3 HIS A 95 -3.741 36.262 12.749 1.00 44.24 H new ATOM 0 HD1 HIS A 95 -6.245 35.846 14.174 1.00 4.04 H new ATOM 0 HD2 HIS A 95 -5.545 33.974 10.493 1.00 31.11 H new ATOM 0 HE1 HIS A 95 -8.529 35.245 13.229 1.00 35.13 H new ATOM 1479 N VAL A 96 -1.045 35.959 11.421 1.00 71.41 N ATOM 1480 CA VAL A 96 0.334 36.364 11.661 1.00 30.12 C ATOM 1481 C VAL A 96 0.401 37.771 12.243 1.00 32.13 C ATOM 1482 O VAL A 96 -0.325 38.668 11.813 1.00 62.43 O ATOM 1483 CB VAL A 96 1.168 36.316 10.366 1.00 71.24 C ATOM 1484 CG1 VAL A 96 2.594 36.772 10.632 1.00 62.50 C ATOM 1485 CG2 VAL A 96 1.149 34.915 9.774 1.00 60.41 C ATOM 0 H VAL A 96 -1.562 36.575 10.794 1.00 71.41 H new ATOM 0 HA VAL A 96 0.750 35.657 12.379 1.00 30.12 H new ATOM 0 HB VAL A 96 0.724 36.999 9.642 1.00 71.24 H new ATOM 0 HG11 VAL A 96 3.168 36.731 9.706 1.00 62.50 H new ATOM 0 HG12 VAL A 96 2.585 37.795 11.008 1.00 62.50 H new ATOM 0 HG13 VAL A 96 3.053 36.117 11.372 1.00 62.50 H new ATOM 0 HG21 VAL A 96 1.743 34.898 8.860 1.00 60.41 H new ATOM 0 HG22 VAL A 96 1.569 34.211 10.492 1.00 60.41 H new ATOM 0 HG23 VAL A 96 0.122 34.631 9.545 1.00 60.41 H new ATOM 1495 N LYS A 97 1.277 37.960 13.223 1.00 13.43 N ATOM 1496 CA LYS A 97 1.441 39.259 13.865 1.00 32.32 C ATOM 1497 C LYS A 97 2.913 39.658 13.915 1.00 33.23 C ATOM 1498 O LYS A 97 3.795 38.808 14.033 1.00 53.25 O ATOM 1499 CB LYS A 97 0.863 39.228 15.281 1.00 23.44 C ATOM 1500 CG LYS A 97 -0.501 38.564 15.367 1.00 24.53 C ATOM 1501 CD LYS A 97 -0.380 37.076 15.645 1.00 41.45 C ATOM 1502 CE LYS A 97 -0.366 36.787 17.139 1.00 62.22 C ATOM 1503 NZ LYS A 97 -0.534 35.336 17.425 1.00 53.42 N1+ ATOM 0 H LYS A 97 1.886 37.229 13.591 1.00 13.43 H new ATOM 0 HA LYS A 97 0.901 39.999 13.275 1.00 32.32 H new ATOM 0 HB2 LYS A 97 1.556 38.701 15.936 1.00 23.44 H new ATOM 0 HB3 LYS A 97 0.785 40.249 15.655 1.00 23.44 H new ATOM 0 HG2 LYS A 97 -1.087 39.036 16.156 1.00 24.53 H new ATOM 0 HG3 LYS A 97 -1.041 38.718 14.433 1.00 24.53 H new ATOM 0 HD2 LYS A 97 -1.213 36.549 15.179 1.00 41.45 H new ATOM 0 HD3 LYS A 97 0.534 36.693 15.191 1.00 41.45 H new ATOM 0 HE2 LYS A 97 0.574 37.135 17.567 1.00 62.22 H new ATOM 0 HE3 LYS A 97 -1.165 37.348 17.625 1.00 62.22 H new ATOM 0 HZ1 LYS A 97 -0.519 35.181 18.453 1.00 53.42 H new ATOM 0 HZ2 LYS A 97 -1.443 35.009 17.039 1.00 53.42 H new ATOM 0 HZ3 LYS A 97 0.242 34.803 16.983 1.00 53.42 H new ATOM 1517 N LYS A 98 3.171 40.959 13.825 1.00 54.02 N ATOM 1518 CA LYS A 98 4.535 41.474 13.862 1.00 54.22 C ATOM 1519 C LYS A 98 5.114 41.378 15.270 1.00 33.52 C ATOM 1520 O LYS A 98 4.600 41.991 16.205 1.00 54.13 O ATOM 1521 CB LYS A 98 4.567 42.926 13.383 1.00 72.45 C ATOM 1522 CG LYS A 98 5.896 43.336 12.773 1.00 22.24 C ATOM 1523 CD LYS A 98 5.858 43.270 11.256 1.00 61.03 C ATOM 1524 CE LYS A 98 6.348 41.925 10.743 1.00 12.11 C ATOM 1525 NZ LYS A 98 7.817 41.761 10.935 1.00 62.45 N1+ ATOM 0 H LYS A 98 2.453 41.676 13.726 1.00 54.02 H new ATOM 0 HA LYS A 98 5.145 40.865 13.195 1.00 54.22 H new ATOM 0 HB2 LYS A 98 3.777 43.074 12.646 1.00 72.45 H new ATOM 0 HB3 LYS A 98 4.345 43.582 14.224 1.00 72.45 H new ATOM 0 HG2 LYS A 98 6.144 44.350 13.088 1.00 22.24 H new ATOM 0 HG3 LYS A 98 6.685 42.684 13.147 1.00 22.24 H new ATOM 0 HD2 LYS A 98 4.839 43.444 10.909 1.00 61.03 H new ATOM 0 HD3 LYS A 98 6.476 44.066 10.841 1.00 61.03 H new ATOM 0 HE2 LYS A 98 5.822 41.124 11.263 1.00 12.11 H new ATOM 0 HE3 LYS A 98 6.107 41.830 9.684 1.00 12.11 H new ATOM 0 HZ1 LYS A 98 8.229 41.310 10.093 1.00 62.45 H new ATOM 0 HZ2 LYS A 98 8.255 42.694 11.077 1.00 62.45 H new ATOM 0 HZ3 LYS A 98 7.994 41.165 11.769 1.00 62.45 H new ATOM 1539 N SER A 99 6.186 40.605 15.412 1.00 5.23 N ATOM 1540 CA SER A 99 6.834 40.429 16.706 1.00 54.21 C ATOM 1541 C SER A 99 7.562 41.701 17.128 1.00 15.23 C ATOM 1542 O SER A 99 7.737 41.963 18.319 1.00 12.25 O ATOM 1543 CB SER A 99 7.819 39.259 16.652 1.00 74.45 C ATOM 1544 OG SER A 99 8.928 39.564 15.825 1.00 71.51 O ATOM 0 H SER A 99 6.624 40.091 14.647 1.00 5.23 H new ATOM 0 HA SER A 99 6.062 40.212 17.444 1.00 54.21 H new ATOM 0 HB2 SER A 99 8.166 39.025 17.659 1.00 74.45 H new ATOM 0 HB3 SER A 99 7.313 38.371 16.274 1.00 74.45 H new ATOM 0 HG SER A 99 9.543 38.801 15.808 1.00 71.51 H new ATOM 1550 N ASP A 100 7.983 42.488 16.145 1.00 41.31 N ATOM 1551 CA ASP A 100 8.691 43.734 16.413 1.00 54.01 C ATOM 1552 C ASP A 100 7.722 44.822 16.869 1.00 20.12 C ATOM 1553 O ASP A 100 8.105 45.748 17.583 1.00 63.13 O ATOM 1554 CB ASP A 100 9.445 44.196 15.165 1.00 12.01 C ATOM 1555 CG ASP A 100 10.689 44.994 15.502 1.00 52.24 C ATOM 1556 OD1 ASP A 100 10.735 45.583 16.602 1.00 33.31 O1- ATOM 1557 OD2 ASP A 100 11.616 45.032 14.666 1.00 51.25 O ATOM 0 H ASP A 100 7.846 42.285 15.155 1.00 41.31 H new ATOM 0 HA ASP A 100 9.408 43.551 17.214 1.00 54.01 H new ATOM 0 HB2 ASP A 100 9.725 43.326 14.571 1.00 12.01 H new ATOM 0 HB3 ASP A 100 8.783 44.804 14.548 1.00 12.01 H new ATOM 1562 N PHE A 101 6.467 44.703 16.448 1.00 63.54 N ATOM 1563 CA PHE A 101 5.444 45.678 16.812 1.00 71.44 C ATOM 1564 C PHE A 101 4.832 45.343 18.169 1.00 52.32 C ATOM 1565 O PHE A 101 4.655 46.220 19.014 1.00 34.45 O ATOM 1566 CB PHE A 101 4.351 45.723 15.743 1.00 63.25 C ATOM 1567 CG PHE A 101 3.685 47.064 15.623 1.00 32.23 C ATOM 1568 CD1 PHE A 101 4.360 48.140 15.071 1.00 74.14 C ATOM 1569 CD2 PHE A 101 2.383 47.247 16.062 1.00 71.11 C ATOM 1570 CE1 PHE A 101 3.751 49.376 14.958 1.00 33.03 C ATOM 1571 CE2 PHE A 101 1.768 48.480 15.952 1.00 3.42 C ATOM 1572 CZ PHE A 101 2.453 49.546 15.400 1.00 74.12 C ATOM 0 H PHE A 101 6.134 43.943 15.855 1.00 63.54 H new ATOM 0 HA PHE A 101 5.917 46.658 16.879 1.00 71.44 H new ATOM 0 HB2 PHE A 101 4.785 45.454 14.780 1.00 63.25 H new ATOM 0 HB3 PHE A 101 3.597 44.971 15.974 1.00 63.25 H new ATOM 0 HD1 PHE A 101 5.375 48.012 14.724 1.00 74.14 H new ATOM 0 HD2 PHE A 101 1.843 46.417 16.495 1.00 71.11 H new ATOM 0 HE1 PHE A 101 4.289 50.207 14.525 1.00 33.03 H new ATOM 0 HE2 PHE A 101 0.753 48.610 16.297 1.00 3.42 H new ATOM 0 HZ PHE A 101 1.974 50.510 15.314 1.00 74.12 H new ATOM 1582 N GLU A 102 4.511 44.068 18.368 1.00 21.35 N ATOM 1583 CA GLU A 102 3.917 43.618 19.622 1.00 14.23 C ATOM 1584 C GLU A 102 4.933 43.681 20.758 1.00 60.31 C ATOM 1585 O GLU A 102 4.568 43.819 21.926 1.00 73.22 O ATOM 1586 CB GLU A 102 3.385 42.191 19.476 1.00 4.10 C ATOM 1587 CG GLU A 102 4.476 41.136 19.432 1.00 33.42 C ATOM 1588 CD GLU A 102 3.995 39.823 18.847 1.00 12.40 C ATOM 1589 OE1 GLU A 102 3.484 39.832 17.708 1.00 64.41 O1- ATOM 1590 OE2 GLU A 102 4.129 38.785 19.529 1.00 22.53 O ATOM 0 H GLU A 102 4.652 43.330 17.678 1.00 21.35 H new ATOM 0 HA GLU A 102 3.088 44.284 19.862 1.00 14.23 H new ATOM 0 HB2 GLU A 102 2.716 41.975 20.309 1.00 4.10 H new ATOM 0 HB3 GLU A 102 2.791 42.125 18.564 1.00 4.10 H new ATOM 0 HG2 GLU A 102 5.312 41.508 18.840 1.00 33.42 H new ATOM 0 HG3 GLU A 102 4.851 40.964 20.441 1.00 33.42 H new ATOM 1597 N VAL A 103 6.212 43.577 20.408 1.00 15.53 N ATOM 1598 CA VAL A 103 7.281 43.621 21.397 1.00 41.23 C ATOM 1599 C VAL A 103 8.141 44.867 21.222 1.00 24.20 C ATOM 1600 O VAL A 103 8.699 45.104 20.149 1.00 11.55 O ATOM 1601 CB VAL A 103 8.181 42.373 21.308 1.00 11.21 C ATOM 1602 CG1 VAL A 103 9.169 42.344 22.463 1.00 71.14 C ATOM 1603 CG2 VAL A 103 7.336 41.109 21.286 1.00 51.01 C ATOM 0 H VAL A 103 6.532 43.462 19.446 1.00 15.53 H new ATOM 0 HA VAL A 103 6.804 43.647 22.377 1.00 41.23 H new ATOM 0 HB VAL A 103 8.748 42.420 20.378 1.00 11.21 H new ATOM 0 HG11 VAL A 103 9.796 41.456 22.383 1.00 71.14 H new ATOM 0 HG12 VAL A 103 9.796 43.235 22.428 1.00 71.14 H new ATOM 0 HG13 VAL A 103 8.625 42.320 23.407 1.00 71.14 H new ATOM 0 HG21 VAL A 103 7.987 40.237 21.223 1.00 51.01 H new ATOM 0 HG22 VAL A 103 6.742 41.053 22.198 1.00 51.01 H new ATOM 0 HG23 VAL A 103 6.673 41.130 20.421 1.00 51.01 H new ATOM 1613 N PHE A 104 8.245 45.663 22.281 1.00 4.44 N ATOM 1614 CA PHE A 104 9.037 46.886 22.244 1.00 53.12 C ATOM 1615 C PHE A 104 10.508 46.574 21.988 1.00 20.21 C ATOM 1616 O PHE A 104 11.186 47.288 21.249 1.00 20.22 O ATOM 1617 CB PHE A 104 8.890 47.655 23.559 1.00 24.34 C ATOM 1618 CG PHE A 104 9.708 48.913 23.613 1.00 11.05 C ATOM 1619 CD1 PHE A 104 9.305 50.047 22.927 1.00 61.43 C ATOM 1620 CD2 PHE A 104 10.880 48.962 24.350 1.00 22.12 C ATOM 1621 CE1 PHE A 104 10.056 51.206 22.974 1.00 72.14 C ATOM 1622 CE2 PHE A 104 11.635 50.118 24.402 1.00 61.14 C ATOM 1623 CZ PHE A 104 11.222 51.242 23.714 1.00 73.40 C ATOM 0 H PHE A 104 7.790 45.482 23.176 1.00 4.44 H new ATOM 0 HA PHE A 104 8.666 47.504 21.426 1.00 53.12 H new ATOM 0 HB2 PHE A 104 7.840 47.907 23.707 1.00 24.34 H new ATOM 0 HB3 PHE A 104 9.182 47.006 24.385 1.00 24.34 H new ATOM 0 HD1 PHE A 104 8.393 50.025 22.349 1.00 61.43 H new ATOM 0 HD2 PHE A 104 11.207 48.086 24.890 1.00 22.12 H new ATOM 0 HE1 PHE A 104 9.732 52.083 22.433 1.00 72.14 H new ATOM 0 HE2 PHE A 104 12.547 50.143 24.980 1.00 61.14 H new ATOM 0 HZ PHE A 104 11.809 52.147 23.754 1.00 73.40 H new ATOM 1633 N ASP A 105 10.996 45.503 22.604 1.00 73.24 N ATOM 1634 CA ASP A 105 12.387 45.094 22.443 1.00 14.44 C ATOM 1635 C ASP A 105 12.479 43.744 21.738 1.00 70.40 C ATOM 1636 O ASP A 105 13.514 43.401 21.166 1.00 42.24 O ATOM 1637 CB ASP A 105 13.080 45.021 23.804 1.00 3.22 C ATOM 1638 CG ASP A 105 14.591 45.075 23.688 1.00 12.21 C ATOM 1639 OD1 ASP A 105 15.114 46.103 23.208 1.00 44.03 O ATOM 1640 OD2 ASP A 105 15.250 44.089 24.078 1.00 24.32 O1- ATOM 0 H ASP A 105 10.449 44.902 23.220 1.00 73.24 H new ATOM 0 HA ASP A 105 12.890 45.840 21.827 1.00 14.44 H new ATOM 0 HB2 ASP A 105 12.737 45.846 24.428 1.00 3.22 H new ATOM 0 HB3 ASP A 105 12.790 44.099 24.307 1.00 3.22 H new TER 1645 ASP A 105