USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 769 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 84 SER OG : rot 180:sc= -0.56 USER MOD Set 1.2: A 87 MET CE :methyl -148:sc= -1.62 (180deg=-2.03!) USER MOD Single : A 1 MET CE :methyl 155:sc= -0.112 (180deg=-0.856) USER MOD Single : A 1 MET N :NH3+ 178:sc= -0.687 (180deg=-0.691) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 69:sc= 1.16 USER MOD Single : A 15 MET CE :methyl -160:sc= -0.108 (180deg=-0.661) USER MOD Single : A 18 GLN : amide:sc= -0.0331 K(o=-0.033,f=-1.7!) USER MOD Single : A 19 ASN :FLIP amide:sc= -1.1! C(o=-2.4!,f=-1.1!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 143:sc= -2.65! (180deg=-3.75!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.589 USER MOD Single : A 28 ASN : amide:sc= -0.0517 K(o=-0.052,f=-1.6!) USER MOD Single : A 31 TYR OH : rot -41:sc= -1.9 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 35 MET CE :methyl -176:sc= 0 (180deg=-0.00249) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0479 K(o=-0.048,f=-1.7!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.069 K(o=-0.069,f=-1.8!) USER MOD Single : A 50 ASN : amide:sc= -0.0218 K(o=-0.022,f=-1.6!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= -2.94! C(o=-2.9!,f=-4.2!) USER MOD Single : A 55 ASN :FLIP amide:sc= 0.506 F(o=-1.5,f=0.51) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.852 K(o=-0.85,f=-1.5) USER MOD Single : A 61 CYS SG : rot 180:sc= -0.0574 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 156:sc= -0.115 (180deg=-0.751) USER MOD Single : A 71 LYS NZ :NH3+ -179:sc= -1.85 (180deg=-1.85) USER MOD Single : A 74 LYS NZ :NH3+ 161:sc= -0.224 (180deg=-1.06) USER MOD Single : A 76 SER OG : rot 41:sc= -0.0765 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.244 USER MOD Single : A 79 THR OG1 : rot -114:sc= 0.743 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.44 X(o=-0.44,f=-0.65) USER MOD Single : A 90 ASN : amide:sc= -0.415 K(o=-0.42,f=-4.7!) USER MOD Single : A 92 SER OG : rot 170:sc= -0.52 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.388 16.963 2.286 1.00 2.94 N ATOM 2 CA MET A 1 -22.386 17.969 1.834 1.00 2.23 C ATOM 3 C MET A 1 -20.988 17.363 1.930 1.00 1.94 C ATOM 4 O MET A 1 -19.995 18.060 1.992 1.00 2.16 O ATOM 5 CB MET A 1 -22.470 19.206 2.729 1.00 2.94 C ATOM 6 CG MET A 1 -23.813 19.901 2.502 1.00 3.46 C ATOM 7 SD MET A 1 -23.930 21.371 3.555 1.00 4.49 S ATOM 8 CE MET A 1 -22.699 22.389 2.702 1.00 4.81 C ATOM 0 H1 MET A 1 -24.339 17.382 2.255 1.00 2.94 H new ATOM 0 H2 MET A 1 -23.354 16.134 1.659 1.00 2.94 H new ATOM 0 H3 MET A 1 -23.171 16.670 3.260 1.00 2.94 H new ATOM 0 HA MET A 1 -22.590 18.254 0.802 1.00 2.23 H new ATOM 0 HB2 MET A 1 -22.367 18.920 3.776 1.00 2.94 H new ATOM 0 HB3 MET A 1 -21.651 19.889 2.504 1.00 2.94 H new ATOM 0 HG2 MET A 1 -23.914 20.184 1.454 1.00 3.46 H new ATOM 0 HG3 MET A 1 -24.630 19.215 2.727 1.00 3.46 H new ATOM 0 HE1 MET A 1 -22.912 23.443 2.881 1.00 4.81 H new ATOM 0 HE2 MET A 1 -21.705 22.150 3.080 1.00 4.81 H new ATOM 0 HE3 MET A 1 -22.739 22.187 1.632 1.00 4.81 H new ATOM 20 N LEU A 2 -20.909 16.063 1.945 1.00 1.58 N ATOM 21 CA LEU A 2 -19.583 15.396 2.037 1.00 1.33 C ATOM 22 C LEU A 2 -18.821 15.604 0.730 1.00 1.26 C ATOM 23 O LEU A 2 -19.394 15.591 -0.341 1.00 1.38 O ATOM 24 CB LEU A 2 -19.781 13.896 2.261 1.00 1.20 C ATOM 25 CG LEU A 2 -20.748 13.666 3.424 1.00 1.42 C ATOM 26 CD1 LEU A 2 -20.953 12.161 3.614 1.00 1.51 C ATOM 27 CD2 LEU A 2 -20.169 14.270 4.709 1.00 1.71 C ATOM 0 H LEU A 2 -21.709 15.432 1.897 1.00 1.58 H new ATOM 0 HA LEU A 2 -19.021 15.822 2.868 1.00 1.33 H new ATOM 0 HB2 LEU A 2 -20.172 13.433 1.355 1.00 1.20 H new ATOM 0 HB3 LEU A 2 -18.823 13.422 2.474 1.00 1.20 H new ATOM 0 HG LEU A 2 -21.702 14.144 3.204 1.00 1.42 H new ATOM 0 HD11 LEU A 2 -21.641 11.989 4.442 1.00 1.51 H new ATOM 0 HD12 LEU A 2 -21.368 11.732 2.702 1.00 1.51 H new ATOM 0 HD13 LEU A 2 -19.996 11.688 3.834 1.00 1.51 H new ATOM 0 HD21 LEU A 2 -20.862 14.103 5.534 1.00 1.71 H new ATOM 0 HD22 LEU A 2 -19.214 13.796 4.936 1.00 1.71 H new ATOM 0 HD23 LEU A 2 -20.019 15.341 4.572 1.00 1.71 H new ATOM 39 N VAL A 3 -17.530 15.785 0.814 1.00 1.21 N ATOM 40 CA VAL A 3 -16.701 15.982 -0.413 1.00 1.22 C ATOM 41 C VAL A 3 -15.509 15.027 -0.356 1.00 0.99 C ATOM 42 O VAL A 3 -15.150 14.534 0.694 1.00 0.93 O ATOM 43 CB VAL A 3 -16.206 17.430 -0.472 1.00 1.52 C ATOM 44 CG1 VAL A 3 -17.406 18.378 -0.511 1.00 1.79 C ATOM 45 CG2 VAL A 3 -15.358 17.734 0.766 1.00 1.68 C ATOM 0 H VAL A 3 -17.008 15.805 1.690 1.00 1.21 H new ATOM 0 HA VAL A 3 -17.296 15.777 -1.303 1.00 1.22 H new ATOM 0 HB VAL A 3 -15.602 17.569 -1.368 1.00 1.52 H new ATOM 0 HG11 VAL A 3 -17.054 19.409 -0.553 1.00 1.79 H new ATOM 0 HG12 VAL A 3 -18.010 18.164 -1.393 1.00 1.79 H new ATOM 0 HG13 VAL A 3 -18.010 18.237 0.385 1.00 1.79 H new ATOM 0 HG21 VAL A 3 -15.007 18.765 0.722 1.00 1.68 H new ATOM 0 HG22 VAL A 3 -15.961 17.594 1.663 1.00 1.68 H new ATOM 0 HG23 VAL A 3 -14.502 17.060 0.795 1.00 1.68 H new ATOM 55 N LYS A 4 -14.897 14.750 -1.474 1.00 0.99 N ATOM 56 CA LYS A 4 -13.738 13.816 -1.466 1.00 0.86 C ATOM 57 C LYS A 4 -12.678 14.342 -0.486 1.00 0.78 C ATOM 58 O LYS A 4 -12.112 15.394 -0.708 1.00 0.97 O ATOM 59 CB LYS A 4 -13.142 13.748 -2.874 1.00 1.03 C ATOM 60 CG LYS A 4 -14.245 13.387 -3.873 1.00 1.55 C ATOM 61 CD LYS A 4 -13.622 12.935 -5.196 1.00 2.26 C ATOM 62 CE LYS A 4 -14.736 12.557 -6.173 1.00 2.96 C ATOM 63 NZ LYS A 4 -14.147 11.901 -7.375 1.00 3.69 N ATOM 0 H LYS A 4 -15.148 15.128 -2.388 1.00 0.99 H new ATOM 0 HA LYS A 4 -14.061 12.822 -1.157 1.00 0.86 H new ATOM 0 HB2 LYS A 4 -12.695 14.706 -3.139 1.00 1.03 H new ATOM 0 HB3 LYS A 4 -12.346 13.004 -2.909 1.00 1.03 H new ATOM 0 HG2 LYS A 4 -14.871 12.593 -3.466 1.00 1.55 H new ATOM 0 HG3 LYS A 4 -14.892 14.248 -4.041 1.00 1.55 H new ATOM 0 HD2 LYS A 4 -13.010 13.734 -5.615 1.00 2.26 H new ATOM 0 HD3 LYS A 4 -12.963 12.083 -5.029 1.00 2.26 H new ATOM 0 HE2 LYS A 4 -15.444 11.884 -5.690 1.00 2.96 H new ATOM 0 HE3 LYS A 4 -15.292 13.447 -6.468 1.00 2.96 H new ATOM 0 HZ1 LYS A 4 -14.906 11.645 -8.038 1.00 3.69 H new ATOM 0 HZ2 LYS A 4 -13.488 12.557 -7.840 1.00 3.69 H new ATOM 0 HZ3 LYS A 4 -13.635 11.043 -7.086 1.00 3.69 H new ATOM 77 N PRO A 5 -12.401 13.643 0.593 1.00 0.59 N ATOM 78 CA PRO A 5 -11.390 14.097 1.591 1.00 0.58 C ATOM 79 C PRO A 5 -10.139 14.697 0.932 1.00 0.56 C ATOM 80 O PRO A 5 -9.815 14.370 -0.193 1.00 0.67 O ATOM 81 CB PRO A 5 -11.049 12.807 2.335 1.00 0.62 C ATOM 82 CG PRO A 5 -12.330 12.045 2.343 1.00 0.73 C ATOM 83 CD PRO A 5 -13.005 12.354 1.002 1.00 0.58 C ATOM 0 HA PRO A 5 -11.768 14.893 2.233 1.00 0.58 H new ATOM 0 HB2 PRO A 5 -10.258 12.252 1.830 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -10.700 13.011 3.347 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -12.149 10.976 2.453 1.00 0.73 H new ATOM 0 HG3 PRO A 5 -12.961 12.349 3.178 1.00 0.73 H new ATOM 0 HD2 PRO A 5 -12.814 11.571 0.268 1.00 0.58 H new ATOM 0 HD3 PRO A 5 -14.087 12.434 1.108 1.00 0.58 H new ATOM 91 N PRO A 6 -9.438 15.567 1.618 1.00 0.55 N ATOM 92 CA PRO A 6 -8.205 16.211 1.075 1.00 0.57 C ATOM 93 C PRO A 6 -7.008 15.257 1.086 1.00 0.51 C ATOM 94 O PRO A 6 -5.875 15.676 1.219 1.00 0.70 O ATOM 95 CB PRO A 6 -7.971 17.384 2.032 1.00 0.67 C ATOM 96 CG PRO A 6 -8.521 16.911 3.336 1.00 0.84 C ATOM 97 CD PRO A 6 -9.731 16.039 2.986 1.00 0.68 C ATOM 0 HA PRO A 6 -8.319 16.513 0.034 1.00 0.57 H new ATOM 0 HB2 PRO A 6 -6.911 17.627 2.112 1.00 0.67 H new ATOM 0 HB3 PRO A 6 -8.480 18.285 1.689 1.00 0.67 H new ATOM 0 HG2 PRO A 6 -7.776 16.341 3.891 1.00 0.84 H new ATOM 0 HG3 PRO A 6 -8.814 17.752 3.965 1.00 0.84 H new ATOM 0 HD2 PRO A 6 -9.840 15.207 3.682 1.00 0.68 H new ATOM 0 HD3 PRO A 6 -10.659 16.609 3.023 1.00 0.68 H new ATOM 105 N TYR A 7 -7.251 13.979 0.950 1.00 0.42 N ATOM 106 CA TYR A 7 -6.137 12.984 0.954 1.00 0.36 C ATOM 107 C TYR A 7 -6.003 12.387 -0.445 1.00 0.34 C ATOM 108 O TYR A 7 -6.976 11.998 -1.061 1.00 0.36 O ATOM 109 CB TYR A 7 -6.462 11.863 1.947 1.00 0.34 C ATOM 110 CG TYR A 7 -6.725 12.451 3.317 1.00 0.37 C ATOM 111 CD1 TYR A 7 -5.727 13.183 3.973 1.00 1.10 C ATOM 112 CD2 TYR A 7 -7.972 12.269 3.929 1.00 1.12 C ATOM 113 CE1 TYR A 7 -5.977 13.729 5.239 1.00 1.11 C ATOM 114 CE2 TYR A 7 -8.222 12.816 5.192 1.00 1.15 C ATOM 115 CZ TYR A 7 -7.224 13.546 5.847 1.00 0.47 C ATOM 116 OH TYR A 7 -7.471 14.086 7.094 1.00 0.54 O ATOM 0 H TYR A 7 -8.182 13.579 0.835 1.00 0.42 H new ATOM 0 HA TYR A 7 -5.206 13.472 1.244 1.00 0.36 H new ATOM 0 HB2 TYR A 7 -7.335 11.305 1.607 1.00 0.34 H new ATOM 0 HB3 TYR A 7 -5.633 11.158 1.997 1.00 0.34 H new ATOM 0 HD1 TYR A 7 -4.765 13.326 3.503 1.00 1.10 H new ATOM 0 HD2 TYR A 7 -8.742 11.705 3.424 1.00 1.12 H new ATOM 0 HE1 TYR A 7 -5.207 14.291 5.746 1.00 1.11 H new ATOM 0 HE2 TYR A 7 -9.185 12.675 5.661 1.00 1.15 H new ATOM 0 HH TYR A 7 -8.385 13.867 7.370 1.00 0.54 H new ATOM 126 N SER A 8 -4.805 12.295 -0.949 1.00 0.35 N ATOM 127 CA SER A 8 -4.615 11.707 -2.302 1.00 0.38 C ATOM 128 C SER A 8 -5.008 10.233 -2.243 1.00 0.32 C ATOM 129 O SER A 8 -5.066 9.645 -1.182 1.00 0.30 O ATOM 130 CB SER A 8 -3.149 11.830 -2.717 1.00 0.46 C ATOM 131 OG SER A 8 -3.000 11.378 -4.056 1.00 1.39 O ATOM 0 H SER A 8 -3.951 12.601 -0.483 1.00 0.35 H new ATOM 0 HA SER A 8 -5.232 12.234 -3.030 1.00 0.38 H new ATOM 0 HB2 SER A 8 -2.821 12.866 -2.632 1.00 0.46 H new ATOM 0 HB3 SER A 8 -2.520 11.241 -2.050 1.00 0.46 H new ATOM 0 HG SER A 8 -2.061 11.457 -4.325 1.00 1.39 H new ATOM 137 N TYR A 9 -5.284 9.624 -3.361 1.00 0.34 N ATOM 138 CA TYR A 9 -5.673 8.189 -3.325 1.00 0.34 C ATOM 139 C TYR A 9 -4.521 7.397 -2.708 1.00 0.35 C ATOM 140 O TYR A 9 -4.725 6.497 -1.921 1.00 0.36 O ATOM 141 CB TYR A 9 -5.942 7.687 -4.747 1.00 0.39 C ATOM 142 CG TYR A 9 -7.303 8.163 -5.204 1.00 0.39 C ATOM 143 CD1 TYR A 9 -8.456 7.479 -4.802 1.00 1.21 C ATOM 144 CD2 TYR A 9 -7.409 9.287 -6.031 1.00 1.32 C ATOM 145 CE1 TYR A 9 -9.715 7.918 -5.227 1.00 1.23 C ATOM 146 CE2 TYR A 9 -8.667 9.728 -6.456 1.00 1.32 C ATOM 147 CZ TYR A 9 -9.821 9.043 -6.055 1.00 0.44 C ATOM 148 OH TYR A 9 -11.062 9.477 -6.474 1.00 0.50 O ATOM 0 H TYR A 9 -5.258 10.051 -4.287 1.00 0.34 H new ATOM 0 HA TYR A 9 -6.579 8.061 -2.733 1.00 0.34 H new ATOM 0 HB2 TYR A 9 -5.171 8.053 -5.425 1.00 0.39 H new ATOM 0 HB3 TYR A 9 -5.899 6.598 -4.773 1.00 0.39 H new ATOM 0 HD1 TYR A 9 -8.374 6.612 -4.163 1.00 1.21 H new ATOM 0 HD2 TYR A 9 -6.519 9.814 -6.341 1.00 1.32 H new ATOM 0 HE1 TYR A 9 -10.604 7.390 -4.917 1.00 1.23 H new ATOM 0 HE2 TYR A 9 -8.748 10.596 -7.093 1.00 1.32 H new ATOM 0 HH TYR A 9 -10.957 10.269 -7.041 1.00 0.50 H new ATOM 158 N ILE A 10 -3.309 7.738 -3.047 1.00 0.38 N ATOM 159 CA ILE A 10 -2.144 7.017 -2.466 1.00 0.42 C ATOM 160 C ILE A 10 -2.121 7.238 -0.951 1.00 0.38 C ATOM 161 O ILE A 10 -1.862 6.331 -0.185 1.00 0.39 O ATOM 162 CB ILE A 10 -0.854 7.558 -3.087 1.00 0.50 C ATOM 163 CG1 ILE A 10 -0.803 7.161 -4.565 1.00 0.61 C ATOM 164 CG2 ILE A 10 0.358 6.972 -2.358 1.00 0.51 C ATOM 165 CD1 ILE A 10 0.344 7.897 -5.261 1.00 0.96 C ATOM 0 H ILE A 10 -3.076 8.485 -3.701 1.00 0.38 H new ATOM 0 HA ILE A 10 -2.225 5.950 -2.676 1.00 0.42 H new ATOM 0 HB ILE A 10 -0.834 8.644 -2.996 1.00 0.50 H new ATOM 0 HG12 ILE A 10 -0.665 6.084 -4.657 1.00 0.61 H new ATOM 0 HG13 ILE A 10 -1.749 7.403 -5.049 1.00 0.61 H new ATOM 0 HG21 ILE A 10 1.274 7.360 -2.804 1.00 0.51 H new ATOM 0 HG22 ILE A 10 0.320 7.252 -1.305 1.00 0.51 H new ATOM 0 HG23 ILE A 10 0.345 5.886 -2.445 1.00 0.51 H new ATOM 0 HD11 ILE A 10 0.375 7.611 -6.312 1.00 0.96 H new ATOM 0 HD12 ILE A 10 0.187 8.973 -5.183 1.00 0.96 H new ATOM 0 HD13 ILE A 10 1.288 7.633 -4.785 1.00 0.96 H new ATOM 177 N ALA A 11 -2.394 8.438 -0.513 1.00 0.36 N ATOM 178 CA ALA A 11 -2.390 8.719 0.951 1.00 0.36 C ATOM 179 C ALA A 11 -3.435 7.845 1.643 1.00 0.32 C ATOM 180 O ALA A 11 -3.179 7.257 2.674 1.00 0.32 O ATOM 181 CB ALA A 11 -2.719 10.195 1.191 1.00 0.38 C ATOM 0 H ALA A 11 -2.620 9.236 -1.107 1.00 0.36 H new ATOM 0 HA ALA A 11 -1.404 8.496 1.358 1.00 0.36 H new ATOM 0 HB1 ALA A 11 -2.716 10.399 2.262 1.00 0.38 H new ATOM 0 HB2 ALA A 11 -1.972 10.819 0.700 1.00 0.38 H new ATOM 0 HB3 ALA A 11 -3.704 10.419 0.782 1.00 0.38 H new ATOM 187 N LEU A 12 -4.610 7.747 1.085 1.00 0.32 N ATOM 188 CA LEU A 12 -5.656 6.900 1.720 1.00 0.31 C ATOM 189 C LEU A 12 -5.135 5.465 1.795 1.00 0.30 C ATOM 190 O LEU A 12 -5.302 4.783 2.786 1.00 0.32 O ATOM 191 CB LEU A 12 -6.936 6.944 0.879 1.00 0.33 C ATOM 192 CG LEU A 12 -7.591 8.329 0.978 1.00 0.34 C ATOM 193 CD1 LEU A 12 -8.715 8.422 -0.059 1.00 0.37 C ATOM 194 CD2 LEU A 12 -8.169 8.557 2.386 1.00 0.36 C ATOM 0 H LEU A 12 -4.889 8.214 0.222 1.00 0.32 H new ATOM 0 HA LEU A 12 -5.881 7.268 2.721 1.00 0.31 H new ATOM 0 HB2 LEU A 12 -6.704 6.718 -0.162 1.00 0.33 H new ATOM 0 HB3 LEU A 12 -7.632 6.179 1.224 1.00 0.33 H new ATOM 0 HG LEU A 12 -6.838 9.094 0.787 1.00 0.34 H new ATOM 0 HD11 LEU A 12 -9.187 9.403 0.003 1.00 0.37 H new ATOM 0 HD12 LEU A 12 -8.301 8.281 -1.058 1.00 0.37 H new ATOM 0 HD13 LEU A 12 -9.457 7.649 0.139 1.00 0.37 H new ATOM 0 HD21 LEU A 12 -8.629 9.544 2.435 1.00 0.36 H new ATOM 0 HD22 LEU A 12 -8.920 7.796 2.599 1.00 0.36 H new ATOM 0 HD23 LEU A 12 -7.368 8.492 3.123 1.00 0.36 H new ATOM 206 N ILE A 13 -4.490 5.009 0.758 1.00 0.31 N ATOM 207 CA ILE A 13 -3.941 3.625 0.773 1.00 0.32 C ATOM 208 C ILE A 13 -2.767 3.553 1.752 1.00 0.29 C ATOM 209 O ILE A 13 -2.623 2.605 2.497 1.00 0.30 O ATOM 210 CB ILE A 13 -3.452 3.263 -0.629 1.00 0.37 C ATOM 211 CG1 ILE A 13 -4.628 3.310 -1.610 1.00 0.42 C ATOM 212 CG2 ILE A 13 -2.859 1.853 -0.616 1.00 0.40 C ATOM 213 CD1 ILE A 13 -4.120 3.196 -3.053 1.00 0.49 C ATOM 0 H ILE A 13 -4.319 5.535 -0.099 1.00 0.31 H new ATOM 0 HA ILE A 13 -4.718 2.927 1.084 1.00 0.32 H new ATOM 0 HB ILE A 13 -2.689 3.976 -0.940 1.00 0.37 H new ATOM 0 HG12 ILE A 13 -5.322 2.497 -1.396 1.00 0.42 H new ATOM 0 HG13 ILE A 13 -5.179 4.242 -1.484 1.00 0.42 H new ATOM 0 HG21 ILE A 13 -2.511 1.596 -1.616 1.00 0.40 H new ATOM 0 HG22 ILE A 13 -2.021 1.817 0.081 1.00 0.40 H new ATOM 0 HG23 ILE A 13 -3.622 1.140 -0.303 1.00 0.40 H new ATOM 0 HD11 ILE A 13 -4.965 3.231 -3.740 1.00 0.49 H new ATOM 0 HD12 ILE A 13 -3.444 4.024 -3.267 1.00 0.49 H new ATOM 0 HD13 ILE A 13 -3.589 2.252 -3.178 1.00 0.49 H new ATOM 225 N THR A 14 -1.921 4.549 1.751 1.00 0.29 N ATOM 226 CA THR A 14 -0.749 4.537 2.673 1.00 0.31 C ATOM 227 C THR A 14 -1.223 4.478 4.127 1.00 0.32 C ATOM 228 O THR A 14 -0.649 3.790 4.949 1.00 0.34 O ATOM 229 CB THR A 14 0.078 5.808 2.461 1.00 0.35 C ATOM 230 OG1 THR A 14 0.531 5.858 1.115 1.00 0.37 O ATOM 231 CG2 THR A 14 1.278 5.808 3.408 1.00 0.39 C ATOM 0 H THR A 14 -1.992 5.371 1.151 1.00 0.29 H new ATOM 0 HA THR A 14 -0.139 3.659 2.461 1.00 0.31 H new ATOM 0 HB THR A 14 -0.541 6.681 2.669 1.00 0.35 H new ATOM 0 HG1 THR A 14 -0.232 6.007 0.518 1.00 0.37 H new ATOM 0 HG21 THR A 14 1.863 6.714 3.253 1.00 0.39 H new ATOM 0 HG22 THR A 14 0.927 5.774 4.440 1.00 0.39 H new ATOM 0 HG23 THR A 14 1.900 4.936 3.207 1.00 0.39 H new ATOM 239 N MET A 15 -2.264 5.192 4.453 1.00 0.33 N ATOM 240 CA MET A 15 -2.772 5.177 5.855 1.00 0.37 C ATOM 241 C MET A 15 -3.401 3.821 6.169 1.00 0.34 C ATOM 242 O MET A 15 -3.291 3.312 7.267 1.00 0.36 O ATOM 243 CB MET A 15 -3.817 6.281 6.039 1.00 0.44 C ATOM 244 CG MET A 15 -3.132 7.649 5.992 1.00 0.49 C ATOM 245 SD MET A 15 -4.305 8.932 6.497 1.00 0.67 S ATOM 246 CE MET A 15 -5.378 8.858 5.041 1.00 1.14 C ATOM 0 H MET A 15 -2.786 5.786 3.809 1.00 0.33 H new ATOM 0 HA MET A 15 -1.938 5.350 6.535 1.00 0.37 H new ATOM 0 HB2 MET A 15 -4.573 6.214 5.256 1.00 0.44 H new ATOM 0 HB3 MET A 15 -4.332 6.153 6.991 1.00 0.44 H new ATOM 0 HG2 MET A 15 -2.264 7.655 6.651 1.00 0.49 H new ATOM 0 HG3 MET A 15 -2.768 7.851 4.984 1.00 0.49 H new ATOM 0 HE1 MET A 15 -5.951 9.782 4.964 1.00 1.14 H new ATOM 0 HE2 MET A 15 -4.769 8.733 4.146 1.00 1.14 H new ATOM 0 HE3 MET A 15 -6.061 8.014 5.135 1.00 1.14 H new ATOM 256 N ALA A 16 -4.076 3.240 5.219 1.00 0.32 N ATOM 257 CA ALA A 16 -4.733 1.926 5.463 1.00 0.31 C ATOM 258 C ALA A 16 -3.687 0.876 5.852 1.00 0.29 C ATOM 259 O ALA A 16 -3.870 0.123 6.789 1.00 0.31 O ATOM 260 CB ALA A 16 -5.446 1.485 4.182 1.00 0.31 C ATOM 0 H ALA A 16 -4.202 3.619 4.281 1.00 0.32 H new ATOM 0 HA ALA A 16 -5.451 2.025 6.277 1.00 0.31 H new ATOM 0 HB1 ALA A 16 -5.931 0.523 4.348 1.00 0.31 H new ATOM 0 HB2 ALA A 16 -6.196 2.227 3.909 1.00 0.31 H new ATOM 0 HB3 ALA A 16 -4.719 1.390 3.375 1.00 0.31 H new ATOM 266 N ILE A 17 -2.597 0.812 5.138 1.00 0.27 N ATOM 267 CA ILE A 17 -1.550 -0.197 5.468 1.00 0.28 C ATOM 268 C ILE A 17 -1.055 0.045 6.893 1.00 0.30 C ATOM 269 O ILE A 17 -0.979 -0.851 7.709 1.00 0.33 O ATOM 270 CB ILE A 17 -0.369 -0.022 4.514 1.00 0.29 C ATOM 271 CG1 ILE A 17 -0.851 -0.149 3.070 1.00 0.29 C ATOM 272 CG2 ILE A 17 0.672 -1.110 4.791 1.00 0.33 C ATOM 273 CD1 ILE A 17 0.260 0.303 2.121 1.00 0.32 C ATOM 0 H ILE A 17 -2.386 1.413 4.342 1.00 0.27 H new ATOM 0 HA ILE A 17 -1.967 -1.200 5.376 1.00 0.28 H new ATOM 0 HB ILE A 17 0.074 0.962 4.666 1.00 0.29 H new ATOM 0 HG12 ILE A 17 -1.128 -1.181 2.857 1.00 0.29 H new ATOM 0 HG13 ILE A 17 -1.743 0.458 2.918 1.00 0.29 H new ATOM 0 HG21 ILE A 17 1.516 -0.988 4.112 1.00 0.33 H new ATOM 0 HG22 ILE A 17 1.020 -1.027 5.821 1.00 0.33 H new ATOM 0 HG23 ILE A 17 0.222 -2.091 4.638 1.00 0.33 H new ATOM 0 HD11 ILE A 17 -0.083 0.213 1.090 1.00 0.32 H new ATOM 0 HD12 ILE A 17 0.516 1.342 2.329 1.00 0.32 H new ATOM 0 HD13 ILE A 17 1.140 -0.323 2.267 1.00 0.32 H new ATOM 285 N GLN A 18 -0.713 1.268 7.179 1.00 0.32 N ATOM 286 CA GLN A 18 -0.205 1.624 8.534 1.00 0.36 C ATOM 287 C GLN A 18 -1.324 1.460 9.564 1.00 0.36 C ATOM 288 O GLN A 18 -1.103 1.026 10.677 1.00 0.38 O ATOM 289 CB GLN A 18 0.262 3.079 8.510 1.00 0.44 C ATOM 290 CG GLN A 18 1.515 3.188 7.638 1.00 0.51 C ATOM 291 CD GLN A 18 1.850 4.660 7.400 1.00 1.09 C ATOM 292 OE1 GLN A 18 0.974 5.504 7.414 1.00 1.76 O ATOM 293 NE2 GLN A 18 3.087 5.008 7.180 1.00 1.82 N ATOM 0 H GLN A 18 -0.764 2.048 6.523 1.00 0.32 H new ATOM 0 HA GLN A 18 0.623 0.970 8.806 1.00 0.36 H new ATOM 0 HB2 GLN A 18 -0.527 3.721 8.117 1.00 0.44 H new ATOM 0 HB3 GLN A 18 0.477 3.422 9.522 1.00 0.44 H new ATOM 0 HG2 GLN A 18 2.353 2.688 8.124 1.00 0.51 H new ATOM 0 HG3 GLN A 18 1.352 2.683 6.686 1.00 0.51 H new ATOM 0 HE21 GLN A 18 3.821 4.300 7.168 1.00 1.82 H new ATOM 0 HE22 GLN A 18 3.320 5.988 7.020 1.00 1.82 H new ATOM 302 N ASN A 19 -2.524 1.819 9.200 1.00 0.37 N ATOM 303 CA ASN A 19 -3.665 1.704 10.149 1.00 0.42 C ATOM 304 C ASN A 19 -4.109 0.242 10.239 1.00 0.43 C ATOM 305 O ASN A 19 -5.041 -0.091 10.944 1.00 0.58 O ATOM 306 CB ASN A 19 -4.828 2.561 9.647 1.00 0.51 C ATOM 307 CG ASN A 19 -4.462 4.041 9.774 1.00 0.84 C ATOM 308 OD1 ASN A 19 -3.335 4.376 10.341 1.00 1.67 O flip ATOM 309 ND2 ASN A 19 -5.207 4.901 9.347 1.00 1.28 N flip ATOM 0 H ASN A 19 -2.764 2.189 8.280 1.00 0.37 H new ATOM 0 HA ASN A 19 -3.356 2.049 11.136 1.00 0.42 H new ATOM 0 HB2 ASN A 19 -5.051 2.318 8.608 1.00 0.51 H new ATOM 0 HB3 ASN A 19 -5.727 2.347 10.224 1.00 0.51 H new ATOM 0 HD21 ASN A 19 -6.088 4.639 8.904 1.00 1.28 H new ATOM 0 HD22 ASN A 19 -4.952 5.885 9.432 1.00 1.28 H new ATOM 316 N ALA A 20 -3.449 -0.635 9.532 1.00 0.39 N ATOM 317 CA ALA A 20 -3.837 -2.071 9.584 1.00 0.47 C ATOM 318 C ALA A 20 -3.284 -2.684 10.879 1.00 0.53 C ATOM 319 O ALA A 20 -2.259 -2.256 11.371 1.00 0.63 O ATOM 320 CB ALA A 20 -3.246 -2.797 8.369 1.00 0.49 C ATOM 0 H ALA A 20 -2.660 -0.419 8.923 1.00 0.39 H new ATOM 0 HA ALA A 20 -4.922 -2.171 9.567 1.00 0.47 H new ATOM 0 HB1 ALA A 20 -3.527 -3.850 8.402 1.00 0.49 H new ATOM 0 HB2 ALA A 20 -3.631 -2.347 7.454 1.00 0.49 H new ATOM 0 HB3 ALA A 20 -2.160 -2.711 8.387 1.00 0.49 H new ATOM 326 N PRO A 21 -3.941 -3.673 11.436 1.00 0.71 N ATOM 327 CA PRO A 21 -3.479 -4.324 12.693 1.00 0.87 C ATOM 328 C PRO A 21 -1.952 -4.451 12.764 1.00 0.80 C ATOM 329 O PRO A 21 -1.296 -3.741 13.498 1.00 1.04 O ATOM 330 CB PRO A 21 -4.149 -5.697 12.633 1.00 1.10 C ATOM 331 CG PRO A 21 -5.442 -5.453 11.920 1.00 1.29 C ATOM 332 CD PRO A 21 -5.191 -4.288 10.948 1.00 0.94 C ATOM 0 HA PRO A 21 -3.741 -3.748 13.580 1.00 0.87 H new ATOM 0 HB2 PRO A 21 -3.530 -6.417 12.098 1.00 1.10 H new ATOM 0 HB3 PRO A 21 -4.317 -6.101 13.632 1.00 1.10 H new ATOM 0 HG2 PRO A 21 -5.763 -6.345 11.382 1.00 1.29 H new ATOM 0 HG3 PRO A 21 -6.234 -5.205 12.627 1.00 1.29 H new ATOM 0 HD2 PRO A 21 -5.087 -4.641 9.922 1.00 0.94 H new ATOM 0 HD3 PRO A 21 -6.016 -3.576 10.958 1.00 0.94 H new ATOM 340 N GLU A 22 -1.380 -5.355 12.013 1.00 0.72 N ATOM 341 CA GLU A 22 0.101 -5.533 12.045 1.00 0.83 C ATOM 342 C GLU A 22 0.764 -4.633 10.999 1.00 0.80 C ATOM 343 O GLU A 22 1.281 -3.579 11.312 1.00 1.16 O ATOM 344 CB GLU A 22 0.432 -6.995 11.740 1.00 0.98 C ATOM 345 CG GLU A 22 -0.110 -7.879 12.865 1.00 1.51 C ATOM 346 CD GLU A 22 0.201 -9.346 12.562 1.00 2.01 C ATOM 347 OE1 GLU A 22 1.325 -9.755 12.804 1.00 2.63 O ATOM 348 OE2 GLU A 22 -0.690 -10.036 12.096 1.00 2.51 O ATOM 0 H GLU A 22 -1.876 -5.979 11.377 1.00 0.72 H new ATOM 0 HA GLU A 22 0.476 -5.262 13.032 1.00 0.83 H new ATOM 0 HB2 GLU A 22 -0.008 -7.289 10.787 1.00 0.98 H new ATOM 0 HB3 GLU A 22 1.510 -7.124 11.647 1.00 0.98 H new ATOM 0 HG2 GLU A 22 0.339 -7.591 13.816 1.00 1.51 H new ATOM 0 HG3 GLU A 22 -1.186 -7.738 12.965 1.00 1.51 H new ATOM 355 N LYS A 23 0.760 -5.045 9.760 1.00 0.66 N ATOM 356 CA LYS A 23 1.398 -4.218 8.696 1.00 0.68 C ATOM 357 C LYS A 23 0.944 -4.732 7.325 1.00 0.56 C ATOM 358 O LYS A 23 0.781 -3.973 6.390 1.00 0.59 O ATOM 359 CB LYS A 23 2.923 -4.345 8.821 1.00 0.84 C ATOM 360 CG LYS A 23 3.644 -3.481 7.773 1.00 0.96 C ATOM 361 CD LYS A 23 3.479 -1.989 8.098 1.00 0.79 C ATOM 362 CE LYS A 23 4.537 -1.179 7.342 1.00 1.23 C ATOM 363 NZ LYS A 23 4.451 0.252 7.747 1.00 2.02 N ATOM 0 H LYS A 23 0.343 -5.918 9.439 1.00 0.66 H new ATOM 0 HA LYS A 23 1.109 -3.173 8.803 1.00 0.68 H new ATOM 0 HB2 LYS A 23 3.234 -4.043 9.821 1.00 0.84 H new ATOM 0 HB3 LYS A 23 3.214 -5.388 8.698 1.00 0.84 H new ATOM 0 HG2 LYS A 23 4.703 -3.738 7.747 1.00 0.96 H new ATOM 0 HG3 LYS A 23 3.241 -3.690 6.782 1.00 0.96 H new ATOM 0 HD2 LYS A 23 2.481 -1.654 7.818 1.00 0.79 H new ATOM 0 HD3 LYS A 23 3.580 -1.827 9.171 1.00 0.79 H new ATOM 0 HE2 LYS A 23 5.532 -1.570 7.557 1.00 1.23 H new ATOM 0 HE3 LYS A 23 4.383 -1.274 6.267 1.00 1.23 H new ATOM 0 HZ1 LYS A 23 5.169 0.802 7.234 1.00 2.02 H new ATOM 0 HZ2 LYS A 23 3.505 0.621 7.520 1.00 2.02 H new ATOM 0 HZ3 LYS A 23 4.618 0.334 8.770 1.00 2.02 H new ATOM 377 N LYS A 24 0.749 -6.018 7.197 1.00 0.49 N ATOM 378 CA LYS A 24 0.316 -6.591 5.887 1.00 0.43 C ATOM 379 C LYS A 24 -1.212 -6.585 5.798 1.00 0.44 C ATOM 380 O LYS A 24 -1.899 -6.896 6.751 1.00 0.75 O ATOM 381 CB LYS A 24 0.823 -8.033 5.774 1.00 0.41 C ATOM 382 CG LYS A 24 2.352 -8.050 5.820 1.00 0.45 C ATOM 383 CD LYS A 24 2.846 -9.494 5.706 1.00 0.50 C ATOM 384 CE LYS A 24 4.375 -9.524 5.737 1.00 0.59 C ATOM 385 NZ LYS A 24 4.860 -9.114 7.084 1.00 1.55 N ATOM 0 H LYS A 24 0.871 -6.699 7.946 1.00 0.49 H new ATOM 0 HA LYS A 24 0.727 -5.989 5.077 1.00 0.43 H new ATOM 0 HB2 LYS A 24 0.419 -8.635 6.588 1.00 0.41 H new ATOM 0 HB3 LYS A 24 0.473 -8.479 4.843 1.00 0.41 H new ATOM 0 HG2 LYS A 24 2.758 -7.449 5.006 1.00 0.45 H new ATOM 0 HG3 LYS A 24 2.704 -7.606 6.751 1.00 0.45 H new ATOM 0 HD2 LYS A 24 2.445 -10.091 6.525 1.00 0.50 H new ATOM 0 HD3 LYS A 24 2.483 -9.940 4.780 1.00 0.50 H new ATOM 0 HE2 LYS A 24 4.733 -10.526 5.501 1.00 0.59 H new ATOM 0 HE3 LYS A 24 4.777 -8.854 4.976 1.00 0.59 H new ATOM 0 HZ1 LYS A 24 5.698 -9.675 7.337 1.00 1.55 H new ATOM 0 HZ2 LYS A 24 5.110 -8.105 7.071 1.00 1.55 H new ATOM 0 HZ3 LYS A 24 4.111 -9.276 7.787 1.00 1.55 H new ATOM 399 N ILE A 25 -1.753 -6.234 4.657 1.00 0.35 N ATOM 400 CA ILE A 25 -3.241 -6.206 4.493 1.00 0.34 C ATOM 401 C ILE A 25 -3.623 -6.729 3.104 1.00 0.31 C ATOM 402 O ILE A 25 -2.850 -6.657 2.169 1.00 0.33 O ATOM 403 CB ILE A 25 -3.746 -4.770 4.676 1.00 0.38 C ATOM 404 CG1 ILE A 25 -5.277 -4.770 4.704 1.00 0.39 C ATOM 405 CG2 ILE A 25 -3.247 -3.882 3.531 1.00 0.38 C ATOM 406 CD1 ILE A 25 -5.780 -3.409 5.188 1.00 0.47 C ATOM 0 H ILE A 25 -1.225 -5.964 3.827 1.00 0.35 H new ATOM 0 HA ILE A 25 -3.702 -6.846 5.245 1.00 0.34 H new ATOM 0 HB ILE A 25 -3.364 -4.374 5.617 1.00 0.38 H new ATOM 0 HG12 ILE A 25 -5.669 -4.981 3.709 1.00 0.39 H new ATOM 0 HG13 ILE A 25 -5.639 -5.559 5.364 1.00 0.39 H new ATOM 0 HG21 ILE A 25 -3.613 -2.865 3.673 1.00 0.38 H new ATOM 0 HG22 ILE A 25 -2.157 -3.878 3.522 1.00 0.38 H new ATOM 0 HG23 ILE A 25 -3.616 -4.271 2.582 1.00 0.38 H new ATOM 0 HD11 ILE A 25 -6.870 -3.410 5.208 1.00 0.47 H new ATOM 0 HD12 ILE A 25 -5.399 -3.216 6.191 1.00 0.47 H new ATOM 0 HD13 ILE A 25 -5.430 -2.630 4.511 1.00 0.47 H new ATOM 418 N THR A 26 -4.809 -7.261 2.966 1.00 0.30 N ATOM 419 CA THR A 26 -5.250 -7.800 1.644 1.00 0.31 C ATOM 420 C THR A 26 -5.856 -6.684 0.785 1.00 0.28 C ATOM 421 O THR A 26 -6.176 -5.615 1.267 1.00 0.27 O ATOM 422 CB THR A 26 -6.311 -8.878 1.874 1.00 0.37 C ATOM 423 OG1 THR A 26 -7.421 -8.308 2.552 1.00 0.76 O ATOM 424 CG2 THR A 26 -5.722 -10.009 2.718 1.00 0.81 C ATOM 0 H THR A 26 -5.495 -7.346 3.716 1.00 0.30 H new ATOM 0 HA THR A 26 -4.386 -8.218 1.127 1.00 0.31 H new ATOM 0 HB THR A 26 -6.636 -9.278 0.914 1.00 0.37 H new ATOM 0 HG1 THR A 26 -8.103 -8.996 2.699 1.00 0.76 H new ATOM 0 HG21 THR A 26 -6.480 -10.775 2.880 1.00 0.81 H new ATOM 0 HG22 THR A 26 -4.870 -10.446 2.197 1.00 0.81 H new ATOM 0 HG23 THR A 26 -5.395 -9.613 3.680 1.00 0.81 H new ATOM 432 N LEU A 27 -6.028 -6.937 -0.487 1.00 0.31 N ATOM 433 CA LEU A 27 -6.627 -5.911 -1.393 1.00 0.34 C ATOM 434 C LEU A 27 -8.033 -5.585 -0.871 1.00 0.30 C ATOM 435 O LEU A 27 -8.388 -4.443 -0.644 1.00 0.31 O ATOM 436 CB LEU A 27 -6.703 -6.520 -2.803 1.00 0.44 C ATOM 437 CG LEU A 27 -6.964 -5.456 -3.884 1.00 0.47 C ATOM 438 CD1 LEU A 27 -5.820 -4.427 -3.914 1.00 0.70 C ATOM 439 CD2 LEU A 27 -7.070 -6.157 -5.248 1.00 0.68 C ATOM 0 H LEU A 27 -5.778 -7.816 -0.940 1.00 0.31 H new ATOM 0 HA LEU A 27 -6.034 -4.997 -1.424 1.00 0.34 H new ATOM 0 HB2 LEU A 27 -5.770 -7.038 -3.024 1.00 0.44 H new ATOM 0 HB3 LEU A 27 -7.497 -7.267 -2.832 1.00 0.44 H new ATOM 0 HG LEU A 27 -7.892 -4.930 -3.659 1.00 0.47 H new ATOM 0 HD11 LEU A 27 -6.021 -3.682 -4.684 1.00 0.70 H new ATOM 0 HD12 LEU A 27 -5.747 -3.936 -2.944 1.00 0.70 H new ATOM 0 HD13 LEU A 27 -4.881 -4.934 -4.135 1.00 0.70 H new ATOM 0 HD21 LEU A 27 -7.255 -5.415 -6.025 1.00 0.68 H new ATOM 0 HD22 LEU A 27 -6.138 -6.681 -5.461 1.00 0.68 H new ATOM 0 HD23 LEU A 27 -7.892 -6.873 -5.226 1.00 0.68 H new ATOM 451 N ASN A 28 -8.819 -6.605 -0.656 1.00 0.30 N ATOM 452 CA ASN A 28 -10.201 -6.422 -0.122 1.00 0.31 C ATOM 453 C ASN A 28 -10.158 -5.757 1.257 1.00 0.29 C ATOM 454 O ASN A 28 -10.981 -4.923 1.580 1.00 0.32 O ATOM 455 CB ASN A 28 -10.881 -7.787 -0.002 1.00 0.36 C ATOM 456 CG ASN A 28 -11.209 -8.317 -1.399 1.00 0.43 C ATOM 457 OD1 ASN A 28 -11.419 -7.550 -2.317 1.00 1.07 O ATOM 458 ND2 ASN A 28 -11.262 -9.605 -1.601 1.00 1.25 N ATOM 0 H ASN A 28 -8.557 -7.575 -0.831 1.00 0.30 H new ATOM 0 HA ASN A 28 -10.761 -5.783 -0.805 1.00 0.31 H new ATOM 0 HB2 ASN A 28 -10.228 -8.486 0.520 1.00 0.36 H new ATOM 0 HB3 ASN A 28 -11.793 -7.701 0.589 1.00 0.36 H new ATOM 0 HD21 ASN A 28 -11.480 -9.967 -2.529 1.00 1.25 H new ATOM 0 HD22 ASN A 28 -11.086 -10.250 -0.831 1.00 1.25 H new ATOM 465 N GLY A 29 -9.221 -6.136 2.083 1.00 0.28 N ATOM 466 CA GLY A 29 -9.144 -5.544 3.451 1.00 0.29 C ATOM 467 C GLY A 29 -8.965 -4.025 3.370 1.00 0.28 C ATOM 468 O GLY A 29 -9.540 -3.284 4.143 1.00 0.29 O ATOM 0 H GLY A 29 -8.505 -6.830 1.870 1.00 0.28 H new ATOM 0 HA2 GLY A 29 -10.051 -5.780 4.007 1.00 0.29 H new ATOM 0 HA3 GLY A 29 -8.311 -5.985 3.998 1.00 0.29 H new ATOM 472 N ILE A 30 -8.168 -3.552 2.453 1.00 0.26 N ATOM 473 CA ILE A 30 -7.953 -2.081 2.340 1.00 0.27 C ATOM 474 C ILE A 30 -9.277 -1.370 2.048 1.00 0.27 C ATOM 475 O ILE A 30 -9.568 -0.329 2.603 1.00 0.29 O ATOM 476 CB ILE A 30 -6.965 -1.799 1.203 1.00 0.29 C ATOM 477 CG1 ILE A 30 -5.583 -2.316 1.605 1.00 0.32 C ATOM 478 CG2 ILE A 30 -6.891 -0.292 0.938 1.00 0.34 C ATOM 479 CD1 ILE A 30 -4.645 -2.278 0.397 1.00 0.35 C ATOM 0 H ILE A 30 -7.656 -4.119 1.777 1.00 0.26 H new ATOM 0 HA ILE A 30 -7.552 -1.709 3.283 1.00 0.27 H new ATOM 0 HB ILE A 30 -7.300 -2.302 0.296 1.00 0.29 H new ATOM 0 HG12 ILE A 30 -5.177 -1.706 2.412 1.00 0.32 H new ATOM 0 HG13 ILE A 30 -5.662 -3.335 1.984 1.00 0.32 H new ATOM 0 HG21 ILE A 30 -6.187 -0.099 0.129 1.00 0.34 H new ATOM 0 HG22 ILE A 30 -7.877 0.077 0.656 1.00 0.34 H new ATOM 0 HG23 ILE A 30 -6.556 0.220 1.840 1.00 0.34 H new ATOM 0 HD11 ILE A 30 -3.662 -2.647 0.688 1.00 0.35 H new ATOM 0 HD12 ILE A 30 -5.048 -2.907 -0.397 1.00 0.35 H new ATOM 0 HD13 ILE A 30 -4.556 -1.253 0.038 1.00 0.35 H new ATOM 491 N TYR A 31 -10.065 -1.901 1.156 1.00 0.28 N ATOM 492 CA TYR A 31 -11.349 -1.232 0.798 1.00 0.30 C ATOM 493 C TYR A 31 -12.277 -1.087 2.008 1.00 0.30 C ATOM 494 O TYR A 31 -12.846 -0.040 2.230 1.00 0.32 O ATOM 495 CB TYR A 31 -12.059 -2.056 -0.279 1.00 0.36 C ATOM 496 CG TYR A 31 -11.403 -1.801 -1.616 1.00 0.38 C ATOM 497 CD1 TYR A 31 -11.471 -0.529 -2.187 1.00 1.20 C ATOM 498 CD2 TYR A 31 -10.717 -2.826 -2.275 1.00 1.36 C ATOM 499 CE1 TYR A 31 -10.859 -0.280 -3.415 1.00 1.23 C ATOM 500 CE2 TYR A 31 -10.103 -2.577 -3.504 1.00 1.40 C ATOM 501 CZ TYR A 31 -10.174 -1.304 -4.072 1.00 0.58 C ATOM 502 OH TYR A 31 -9.571 -1.058 -5.280 1.00 0.72 O ATOM 0 H TYR A 31 -9.876 -2.771 0.658 1.00 0.28 H new ATOM 0 HA TYR A 31 -11.115 -0.232 0.432 1.00 0.30 H new ATOM 0 HB2 TYR A 31 -12.010 -3.117 -0.033 1.00 0.36 H new ATOM 0 HB3 TYR A 31 -13.115 -1.788 -0.322 1.00 0.36 H new ATOM 0 HD1 TYR A 31 -11.998 0.263 -1.677 1.00 1.20 H new ATOM 0 HD2 TYR A 31 -10.662 -3.810 -1.833 1.00 1.36 H new ATOM 0 HE1 TYR A 31 -10.915 0.704 -3.857 1.00 1.23 H new ATOM 0 HE2 TYR A 31 -9.574 -3.368 -4.014 1.00 1.40 H new ATOM 0 HH TYR A 31 -10.157 -0.497 -5.830 1.00 0.72 H new ATOM 512 N GLN A 32 -12.454 -2.116 2.780 1.00 0.31 N ATOM 513 CA GLN A 32 -13.382 -2.005 3.941 1.00 0.35 C ATOM 514 C GLN A 32 -12.905 -0.906 4.891 1.00 0.33 C ATOM 515 O GLN A 32 -13.693 -0.160 5.437 1.00 0.34 O ATOM 516 CB GLN A 32 -13.427 -3.345 4.674 1.00 0.41 C ATOM 517 CG GLN A 32 -14.153 -4.376 3.807 1.00 1.25 C ATOM 518 CD GLN A 32 -14.131 -5.736 4.506 1.00 1.79 C ATOM 519 OE1 GLN A 32 -13.487 -5.900 5.522 1.00 2.35 O ATOM 520 NE2 GLN A 32 -14.808 -6.729 3.997 1.00 2.51 N ATOM 0 H GLN A 32 -12.003 -3.023 2.663 1.00 0.31 H new ATOM 0 HA GLN A 32 -14.380 -1.748 3.586 1.00 0.35 H new ATOM 0 HB2 GLN A 32 -12.415 -3.686 4.893 1.00 0.41 H new ATOM 0 HB3 GLN A 32 -13.939 -3.232 5.629 1.00 0.41 H new ATOM 0 HG2 GLN A 32 -15.182 -4.061 3.633 1.00 1.25 H new ATOM 0 HG3 GLN A 32 -13.673 -4.449 2.831 1.00 1.25 H new ATOM 0 HE21 GLN A 32 -15.350 -6.593 3.143 1.00 2.51 H new ATOM 0 HE22 GLN A 32 -14.796 -7.641 4.453 1.00 2.51 H new ATOM 529 N PHE A 33 -11.625 -0.801 5.092 1.00 0.33 N ATOM 530 CA PHE A 33 -11.090 0.246 6.006 1.00 0.35 C ATOM 531 C PHE A 33 -11.482 1.646 5.506 1.00 0.32 C ATOM 532 O PHE A 33 -11.808 2.519 6.285 1.00 0.34 O ATOM 533 CB PHE A 33 -9.567 0.097 6.047 1.00 0.40 C ATOM 534 CG PHE A 33 -8.951 1.131 6.958 1.00 0.46 C ATOM 535 CD1 PHE A 33 -8.856 0.890 8.333 1.00 1.23 C ATOM 536 CD2 PHE A 33 -8.460 2.327 6.421 1.00 1.34 C ATOM 537 CE1 PHE A 33 -8.271 1.845 9.172 1.00 1.27 C ATOM 538 CE2 PHE A 33 -7.871 3.280 7.259 1.00 1.37 C ATOM 539 CZ PHE A 33 -7.778 3.041 8.635 1.00 0.63 C ATOM 0 H PHE A 33 -10.920 -1.398 4.661 1.00 0.33 H new ATOM 0 HA PHE A 33 -11.507 0.125 7.006 1.00 0.35 H new ATOM 0 HB2 PHE A 33 -9.304 -0.902 6.394 1.00 0.40 H new ATOM 0 HB3 PHE A 33 -9.160 0.203 5.042 1.00 0.40 H new ATOM 0 HD1 PHE A 33 -9.234 -0.033 8.747 1.00 1.23 H new ATOM 0 HD2 PHE A 33 -8.536 2.514 5.360 1.00 1.34 H new ATOM 0 HE1 PHE A 33 -8.200 1.660 10.234 1.00 1.27 H new ATOM 0 HE2 PHE A 33 -7.488 4.201 6.844 1.00 1.37 H new ATOM 0 HZ PHE A 33 -7.326 3.778 9.282 1.00 0.63 H new ATOM 549 N ILE A 34 -11.438 1.874 4.219 1.00 0.28 N ATOM 550 CA ILE A 34 -11.790 3.225 3.678 1.00 0.27 C ATOM 551 C ILE A 34 -13.275 3.559 3.891 1.00 0.26 C ATOM 552 O ILE A 34 -13.609 4.639 4.333 1.00 0.27 O ATOM 553 CB ILE A 34 -11.467 3.261 2.180 1.00 0.27 C ATOM 554 CG1 ILE A 34 -9.948 3.230 1.998 1.00 0.32 C ATOM 555 CG2 ILE A 34 -12.031 4.542 1.546 1.00 0.29 C ATOM 556 CD1 ILE A 34 -9.618 2.982 0.526 1.00 0.59 C ATOM 0 H ILE A 34 -11.173 1.183 3.517 1.00 0.28 H new ATOM 0 HA ILE A 34 -11.204 3.970 4.216 1.00 0.27 H new ATOM 0 HB ILE A 34 -11.920 2.398 1.693 1.00 0.27 H new ATOM 0 HG12 ILE A 34 -9.512 4.174 2.326 1.00 0.32 H new ATOM 0 HG13 ILE A 34 -9.512 2.446 2.617 1.00 0.32 H new ATOM 0 HG21 ILE A 34 -11.795 4.556 0.482 1.00 0.29 H new ATOM 0 HG22 ILE A 34 -13.113 4.568 1.678 1.00 0.29 H new ATOM 0 HG23 ILE A 34 -11.586 5.413 2.028 1.00 0.29 H new ATOM 0 HD11 ILE A 34 -8.536 2.960 0.394 1.00 0.59 H new ATOM 0 HD12 ILE A 34 -10.041 2.027 0.214 1.00 0.59 H new ATOM 0 HD13 ILE A 34 -10.041 3.782 -0.081 1.00 0.59 H new ATOM 568 N MET A 35 -14.175 2.670 3.556 1.00 0.27 N ATOM 569 CA MET A 35 -15.626 2.996 3.722 1.00 0.29 C ATOM 570 C MET A 35 -15.937 3.295 5.192 1.00 0.29 C ATOM 571 O MET A 35 -16.703 4.186 5.499 1.00 0.31 O ATOM 572 CB MET A 35 -16.496 1.817 3.254 1.00 0.37 C ATOM 573 CG MET A 35 -16.526 1.726 1.719 1.00 0.44 C ATOM 574 SD MET A 35 -15.136 0.711 1.156 1.00 0.69 S ATOM 575 CE MET A 35 -16.071 -0.587 0.312 1.00 0.47 C ATOM 0 H MET A 35 -13.973 1.744 3.179 1.00 0.27 H new ATOM 0 HA MET A 35 -15.850 3.874 3.116 1.00 0.29 H new ATOM 0 HB2 MET A 35 -16.107 0.887 3.669 1.00 0.37 H new ATOM 0 HB3 MET A 35 -17.511 1.936 3.634 1.00 0.37 H new ATOM 0 HG2 MET A 35 -17.468 1.290 1.387 1.00 0.44 H new ATOM 0 HG3 MET A 35 -16.464 2.723 1.282 1.00 0.44 H new ATOM 0 HE1 MET A 35 -15.385 -1.355 -0.046 1.00 0.47 H new ATOM 0 HE2 MET A 35 -16.784 -1.032 1.006 1.00 0.47 H new ATOM 0 HE3 MET A 35 -16.608 -0.157 -0.533 1.00 0.47 H new ATOM 585 N ASP A 36 -15.365 2.560 6.103 1.00 0.31 N ATOM 586 CA ASP A 36 -15.653 2.812 7.543 1.00 0.37 C ATOM 587 C ASP A 36 -15.062 4.155 7.979 1.00 0.38 C ATOM 588 O ASP A 36 -15.663 4.885 8.741 1.00 0.45 O ATOM 589 CB ASP A 36 -15.047 1.690 8.388 1.00 0.43 C ATOM 590 CG ASP A 36 -15.828 0.396 8.153 1.00 0.51 C ATOM 591 OD1 ASP A 36 -16.991 0.485 7.797 1.00 1.12 O ATOM 592 OD2 ASP A 36 -15.247 -0.663 8.329 1.00 1.17 O ATOM 0 H ASP A 36 -14.713 1.798 5.915 1.00 0.31 H new ATOM 0 HA ASP A 36 -16.733 2.840 7.686 1.00 0.37 H new ATOM 0 HB2 ASP A 36 -13.999 1.548 8.125 1.00 0.43 H new ATOM 0 HB3 ASP A 36 -15.077 1.959 9.444 1.00 0.43 H new ATOM 597 N ARG A 37 -13.884 4.480 7.522 1.00 0.39 N ATOM 598 CA ARG A 37 -13.258 5.769 7.938 1.00 0.46 C ATOM 599 C ARG A 37 -14.041 6.950 7.359 1.00 0.45 C ATOM 600 O ARG A 37 -14.242 7.948 8.023 1.00 0.59 O ATOM 601 CB ARG A 37 -11.816 5.815 7.424 1.00 0.53 C ATOM 602 CG ARG A 37 -10.947 4.798 8.180 1.00 1.16 C ATOM 603 CD ARG A 37 -10.453 5.381 9.511 1.00 1.28 C ATOM 604 NE ARG A 37 -9.224 6.188 9.274 1.00 1.77 N ATOM 605 CZ ARG A 37 -8.805 7.016 10.192 1.00 2.16 C ATOM 606 NH1 ARG A 37 -9.484 7.164 11.296 1.00 2.31 N ATOM 607 NH2 ARG A 37 -7.711 7.701 10.003 1.00 3.00 N ATOM 0 H ARG A 37 -13.329 3.912 6.881 1.00 0.39 H new ATOM 0 HA ARG A 37 -13.269 5.837 9.026 1.00 0.46 H new ATOM 0 HB2 ARG A 37 -11.796 5.597 6.356 1.00 0.53 H new ATOM 0 HB3 ARG A 37 -11.409 6.818 7.552 1.00 0.53 H new ATOM 0 HG2 ARG A 37 -11.522 3.891 8.367 1.00 1.16 H new ATOM 0 HG3 ARG A 37 -10.094 4.514 7.564 1.00 1.16 H new ATOM 0 HD2 ARG A 37 -11.229 6.003 9.958 1.00 1.28 H new ATOM 0 HD3 ARG A 37 -10.243 4.577 10.217 1.00 1.28 H new ATOM 0 HE ARG A 37 -8.711 6.094 8.397 1.00 1.77 H new ATOM 0 HH11 ARG A 37 -10.342 6.633 11.442 1.00 2.31 H new ATOM 0 HH12 ARG A 37 -9.157 7.811 12.013 1.00 2.31 H new ATOM 0 HH21 ARG A 37 -7.183 7.590 9.138 1.00 3.00 H new ATOM 0 HH22 ARG A 37 -7.384 8.348 10.721 1.00 3.00 H new ATOM 621 N PHE A 38 -14.489 6.846 6.131 1.00 0.40 N ATOM 622 CA PHE A 38 -15.268 7.960 5.503 1.00 0.41 C ATOM 623 C PHE A 38 -16.565 7.389 4.904 1.00 0.39 C ATOM 624 O PHE A 38 -16.507 6.508 4.068 1.00 0.51 O ATOM 625 CB PHE A 38 -14.439 8.598 4.379 1.00 0.43 C ATOM 626 CG PHE A 38 -13.131 9.110 4.931 1.00 0.54 C ATOM 627 CD1 PHE A 38 -12.034 8.247 5.043 1.00 1.47 C ATOM 628 CD2 PHE A 38 -13.011 10.448 5.324 1.00 1.21 C ATOM 629 CE1 PHE A 38 -10.819 8.722 5.548 1.00 1.54 C ATOM 630 CE2 PHE A 38 -11.795 10.923 5.829 1.00 1.27 C ATOM 631 CZ PHE A 38 -10.699 10.060 5.941 1.00 0.82 C ATOM 0 H PHE A 38 -14.348 6.032 5.533 1.00 0.40 H new ATOM 0 HA PHE A 38 -15.501 8.712 6.257 1.00 0.41 H new ATOM 0 HB2 PHE A 38 -14.250 7.866 3.594 1.00 0.43 H new ATOM 0 HB3 PHE A 38 -14.997 9.417 3.924 1.00 0.43 H new ATOM 0 HD1 PHE A 38 -12.126 7.215 4.739 1.00 1.47 H new ATOM 0 HD2 PHE A 38 -13.857 11.114 5.238 1.00 1.21 H new ATOM 0 HE1 PHE A 38 -9.973 8.056 5.635 1.00 1.54 H new ATOM 0 HE2 PHE A 38 -11.703 11.955 6.132 1.00 1.27 H new ATOM 0 HZ PHE A 38 -9.761 10.426 6.331 1.00 0.82 H new ATOM 641 N PRO A 39 -17.727 7.865 5.296 1.00 0.53 N ATOM 642 CA PRO A 39 -19.011 7.349 4.737 1.00 0.55 C ATOM 643 C PRO A 39 -19.261 7.900 3.329 1.00 0.47 C ATOM 644 O PRO A 39 -20.196 7.522 2.652 1.00 0.47 O ATOM 645 CB PRO A 39 -20.064 7.857 5.727 1.00 0.70 C ATOM 646 CG PRO A 39 -19.487 9.120 6.281 1.00 1.21 C ATOM 647 CD PRO A 39 -17.965 8.928 6.295 1.00 0.88 C ATOM 0 HA PRO A 39 -19.021 6.264 4.630 1.00 0.55 H new ATOM 0 HB2 PRO A 39 -21.017 8.041 5.231 1.00 0.70 H new ATOM 0 HB3 PRO A 39 -20.251 7.128 6.515 1.00 0.70 H new ATOM 0 HG2 PRO A 39 -19.765 9.977 5.667 1.00 1.21 H new ATOM 0 HG3 PRO A 39 -19.864 9.312 7.286 1.00 1.21 H new ATOM 0 HD2 PRO A 39 -17.445 9.848 6.030 1.00 0.88 H new ATOM 0 HD3 PRO A 39 -17.609 8.634 7.282 1.00 0.88 H new ATOM 655 N PHE A 40 -18.419 8.796 2.898 1.00 0.44 N ATOM 656 CA PHE A 40 -18.568 9.400 1.544 1.00 0.42 C ATOM 657 C PHE A 40 -18.493 8.320 0.456 1.00 0.34 C ATOM 658 O PHE A 40 -19.259 8.327 -0.487 1.00 0.36 O ATOM 659 CB PHE A 40 -17.440 10.424 1.343 1.00 0.48 C ATOM 660 CG PHE A 40 -17.312 10.781 -0.121 1.00 1.33 C ATOM 661 CD1 PHE A 40 -18.318 11.521 -0.753 1.00 2.20 C ATOM 662 CD2 PHE A 40 -16.195 10.351 -0.851 1.00 2.34 C ATOM 663 CE1 PHE A 40 -18.207 11.835 -2.113 1.00 3.29 C ATOM 664 CE2 PHE A 40 -16.086 10.662 -2.211 1.00 3.41 C ATOM 665 CZ PHE A 40 -17.091 11.405 -2.842 1.00 3.74 C ATOM 0 H PHE A 40 -17.622 9.141 3.434 1.00 0.44 H new ATOM 0 HA PHE A 40 -19.540 9.887 1.468 1.00 0.42 H new ATOM 0 HB2 PHE A 40 -17.645 11.321 1.927 1.00 0.48 H new ATOM 0 HB3 PHE A 40 -16.498 10.015 1.708 1.00 0.48 H new ATOM 0 HD1 PHE A 40 -19.180 11.850 -0.192 1.00 2.20 H new ATOM 0 HD2 PHE A 40 -15.419 9.780 -0.364 1.00 2.34 H new ATOM 0 HE1 PHE A 40 -18.982 12.409 -2.600 1.00 3.29 H new ATOM 0 HE2 PHE A 40 -15.227 10.329 -2.774 1.00 3.41 H new ATOM 0 HZ PHE A 40 -17.006 11.647 -3.891 1.00 3.74 H new ATOM 675 N TYR A 41 -17.557 7.417 0.554 1.00 0.27 N ATOM 676 CA TYR A 41 -17.416 6.372 -0.501 1.00 0.25 C ATOM 677 C TYR A 41 -18.601 5.408 -0.479 1.00 0.29 C ATOM 678 O TYR A 41 -18.912 4.778 -1.471 1.00 0.35 O ATOM 679 CB TYR A 41 -16.110 5.611 -0.287 1.00 0.23 C ATOM 680 CG TYR A 41 -14.974 6.566 -0.544 1.00 0.25 C ATOM 681 CD1 TYR A 41 -14.441 6.694 -1.831 1.00 1.04 C ATOM 682 CD2 TYR A 41 -14.474 7.341 0.503 1.00 1.10 C ATOM 683 CE1 TYR A 41 -13.404 7.601 -2.071 1.00 1.05 C ATOM 684 CE2 TYR A 41 -13.437 8.248 0.271 1.00 1.12 C ATOM 685 CZ TYR A 41 -12.899 8.380 -1.019 1.00 0.34 C ATOM 686 OH TYR A 41 -11.878 9.279 -1.253 1.00 0.40 O ATOM 0 H TYR A 41 -16.884 7.357 1.318 1.00 0.27 H new ATOM 0 HA TYR A 41 -17.399 6.858 -1.477 1.00 0.25 H new ATOM 0 HB2 TYR A 41 -16.058 5.220 0.729 1.00 0.23 H new ATOM 0 HB3 TYR A 41 -16.051 4.756 -0.961 1.00 0.23 H new ATOM 0 HD1 TYR A 41 -14.830 6.092 -2.639 1.00 1.04 H new ATOM 0 HD2 TYR A 41 -14.889 7.240 1.495 1.00 1.10 H new ATOM 0 HE1 TYR A 41 -12.993 7.702 -3.064 1.00 1.05 H new ATOM 0 HE2 TYR A 41 -13.050 8.846 1.082 1.00 1.12 H new ATOM 0 HH TYR A 41 -11.648 9.737 -0.418 1.00 0.40 H new ATOM 696 N ARG A 42 -19.271 5.281 0.629 1.00 0.33 N ATOM 697 CA ARG A 42 -20.431 4.349 0.680 1.00 0.42 C ATOM 698 C ARG A 42 -21.481 4.786 -0.349 1.00 0.44 C ATOM 699 O ARG A 42 -22.097 3.968 -1.003 1.00 0.53 O ATOM 700 CB ARG A 42 -21.054 4.383 2.077 1.00 0.50 C ATOM 701 CG ARG A 42 -20.107 3.722 3.079 1.00 0.58 C ATOM 702 CD ARG A 42 -20.723 3.793 4.477 1.00 0.63 C ATOM 703 NE ARG A 42 -19.791 3.168 5.469 1.00 1.26 N ATOM 704 CZ ARG A 42 -19.438 1.914 5.382 1.00 1.66 C ATOM 705 NH1 ARG A 42 -20.023 1.122 4.527 1.00 1.95 N ATOM 706 NH2 ARG A 42 -18.527 1.439 6.186 1.00 2.51 N ATOM 0 H ARG A 42 -19.069 5.778 1.497 1.00 0.33 H new ATOM 0 HA ARG A 42 -20.092 3.338 0.455 1.00 0.42 H new ATOM 0 HB2 ARG A 42 -21.251 5.413 2.373 1.00 0.50 H new ATOM 0 HB3 ARG A 42 -22.013 3.864 2.071 1.00 0.50 H new ATOM 0 HG2 ARG A 42 -19.930 2.684 2.799 1.00 0.58 H new ATOM 0 HG3 ARG A 42 -19.140 4.224 3.069 1.00 0.58 H new ATOM 0 HD2 ARG A 42 -20.916 4.831 4.748 1.00 0.63 H new ATOM 0 HD3 ARG A 42 -21.683 3.277 4.489 1.00 0.63 H new ATOM 0 HE ARG A 42 -19.423 3.736 6.232 1.00 1.26 H new ATOM 0 HH11 ARG A 42 -20.761 1.481 3.921 1.00 1.95 H new ATOM 0 HH12 ARG A 42 -19.743 0.143 4.464 1.00 1.95 H new ATOM 0 HH21 ARG A 42 -18.092 2.047 6.880 1.00 2.51 H new ATOM 0 HH22 ARG A 42 -18.249 0.460 6.120 1.00 2.51 H new ATOM 720 N GLU A 43 -21.701 6.066 -0.483 1.00 0.42 N ATOM 721 CA GLU A 43 -22.725 6.551 -1.455 1.00 0.48 C ATOM 722 C GLU A 43 -22.345 6.152 -2.880 1.00 0.45 C ATOM 723 O GLU A 43 -23.180 5.769 -3.674 1.00 0.66 O ATOM 724 CB GLU A 43 -22.832 8.074 -1.366 1.00 0.62 C ATOM 725 CG GLU A 43 -23.480 8.464 -0.036 1.00 1.27 C ATOM 726 CD GLU A 43 -23.467 9.987 0.113 1.00 1.75 C ATOM 727 OE1 GLU A 43 -23.028 10.650 -0.812 1.00 2.34 O ATOM 728 OE2 GLU A 43 -23.901 10.464 1.148 1.00 2.28 O ATOM 0 H GLU A 43 -21.217 6.797 0.038 1.00 0.42 H new ATOM 0 HA GLU A 43 -23.684 6.096 -1.207 1.00 0.48 H new ATOM 0 HB2 GLU A 43 -21.842 8.524 -1.446 1.00 0.62 H new ATOM 0 HB3 GLU A 43 -23.424 8.457 -2.197 1.00 0.62 H new ATOM 0 HG2 GLU A 43 -24.504 8.093 0.004 1.00 1.27 H new ATOM 0 HG3 GLU A 43 -22.941 8.003 0.792 1.00 1.27 H new ATOM 735 N ASN A 44 -21.087 6.243 -3.196 1.00 0.44 N ATOM 736 CA ASN A 44 -20.604 5.878 -4.566 1.00 0.43 C ATOM 737 C ASN A 44 -19.657 4.683 -4.461 1.00 0.37 C ATOM 738 O ASN A 44 -18.580 4.779 -3.910 1.00 0.47 O ATOM 739 CB ASN A 44 -19.855 7.067 -5.173 1.00 0.54 C ATOM 740 CG ASN A 44 -20.851 8.182 -5.496 1.00 1.30 C ATOM 741 OD1 ASN A 44 -22.021 7.928 -5.698 1.00 2.01 O ATOM 742 ND2 ASN A 44 -20.432 9.417 -5.554 1.00 1.97 N ATOM 0 H ASN A 44 -20.357 6.559 -2.558 1.00 0.44 H new ATOM 0 HA ASN A 44 -21.453 5.621 -5.199 1.00 0.43 H new ATOM 0 HB2 ASN A 44 -19.100 7.430 -4.476 1.00 0.54 H new ATOM 0 HB3 ASN A 44 -19.332 6.758 -6.078 1.00 0.54 H new ATOM 0 HD21 ASN A 44 -21.087 10.168 -5.769 1.00 1.97 H new ATOM 0 HD22 ASN A 44 -19.449 9.631 -5.384 1.00 1.97 H new ATOM 749 N LYS A 45 -20.054 3.551 -4.977 1.00 0.49 N ATOM 750 CA LYS A 45 -19.185 2.340 -4.898 1.00 0.61 C ATOM 751 C LYS A 45 -18.364 2.187 -6.180 1.00 0.71 C ATOM 752 O LYS A 45 -17.154 2.290 -6.168 1.00 0.97 O ATOM 753 CB LYS A 45 -20.070 1.106 -4.712 1.00 0.76 C ATOM 754 CG LYS A 45 -20.760 1.170 -3.347 1.00 0.74 C ATOM 755 CD LYS A 45 -21.648 -0.062 -3.156 1.00 0.93 C ATOM 756 CE LYS A 45 -22.333 0.009 -1.789 1.00 1.11 C ATOM 757 NZ LYS A 45 -23.190 -1.195 -1.596 1.00 1.68 N ATOM 0 H LYS A 45 -20.946 3.412 -5.452 1.00 0.49 H new ATOM 0 HA LYS A 45 -18.501 2.444 -4.055 1.00 0.61 H new ATOM 0 HB2 LYS A 45 -20.816 1.058 -5.506 1.00 0.76 H new ATOM 0 HB3 LYS A 45 -19.468 0.200 -4.784 1.00 0.76 H new ATOM 0 HG2 LYS A 45 -20.014 1.218 -2.554 1.00 0.74 H new ATOM 0 HG3 LYS A 45 -21.360 2.077 -3.275 1.00 0.74 H new ATOM 0 HD2 LYS A 45 -22.396 -0.110 -3.947 1.00 0.93 H new ATOM 0 HD3 LYS A 45 -21.049 -0.970 -3.228 1.00 0.93 H new ATOM 0 HE2 LYS A 45 -21.585 0.066 -0.999 1.00 1.11 H new ATOM 0 HE3 LYS A 45 -22.938 0.913 -1.721 1.00 1.11 H new ATOM 0 HZ1 LYS A 45 -23.655 -1.145 -0.667 1.00 1.68 H new ATOM 0 HZ2 LYS A 45 -23.913 -1.230 -2.343 1.00 1.68 H new ATOM 0 HZ3 LYS A 45 -22.602 -2.051 -1.643 1.00 1.68 H new ATOM 771 N GLN A 46 -19.009 1.927 -7.282 1.00 0.95 N ATOM 772 CA GLN A 46 -18.263 1.747 -8.561 1.00 1.12 C ATOM 773 C GLN A 46 -17.589 3.060 -8.961 1.00 0.71 C ATOM 774 O GLN A 46 -18.132 4.129 -8.765 1.00 1.16 O ATOM 775 CB GLN A 46 -19.239 1.345 -9.666 1.00 1.90 C ATOM 776 CG GLN A 46 -19.748 -0.076 -9.420 1.00 2.64 C ATOM 777 CD GLN A 46 -20.808 -0.421 -10.467 1.00 3.38 C ATOM 778 OE1 GLN A 46 -20.545 -1.161 -11.395 1.00 3.81 O ATOM 779 NE2 GLN A 46 -22.003 0.092 -10.360 1.00 3.98 N ATOM 0 H GLN A 46 -20.022 1.831 -7.354 1.00 0.95 H new ATOM 0 HA GLN A 46 -17.508 0.973 -8.423 1.00 1.12 H new ATOM 0 HB2 GLN A 46 -20.077 2.041 -9.694 1.00 1.90 H new ATOM 0 HB3 GLN A 46 -18.746 1.401 -10.637 1.00 1.90 H new ATOM 0 HG2 GLN A 46 -18.922 -0.785 -9.475 1.00 2.64 H new ATOM 0 HG3 GLN A 46 -20.170 -0.155 -8.418 1.00 2.64 H new ATOM 0 HE21 GLN A 46 -22.224 0.713 -9.581 1.00 3.98 H new ATOM 0 HE22 GLN A 46 -22.716 -0.128 -11.055 1.00 3.98 H new ATOM 788 N GLY A 47 -16.417 2.981 -9.541 1.00 0.78 N ATOM 789 CA GLY A 47 -15.696 4.212 -9.990 1.00 0.73 C ATOM 790 C GLY A 47 -14.412 4.408 -9.182 1.00 0.54 C ATOM 791 O GLY A 47 -13.324 4.402 -9.723 1.00 0.64 O ATOM 0 H GLY A 47 -15.924 2.107 -9.724 1.00 0.78 H new ATOM 0 HA2 GLY A 47 -15.456 4.133 -11.050 1.00 0.73 H new ATOM 0 HA3 GLY A 47 -16.342 5.082 -9.873 1.00 0.73 H new ATOM 795 N TRP A 48 -14.520 4.602 -7.895 1.00 0.44 N ATOM 796 CA TRP A 48 -13.292 4.820 -7.075 1.00 0.33 C ATOM 797 C TRP A 48 -12.621 3.482 -6.749 1.00 0.31 C ATOM 798 O TRP A 48 -11.499 3.438 -6.285 1.00 0.37 O ATOM 799 CB TRP A 48 -13.656 5.553 -5.780 1.00 0.36 C ATOM 800 CG TRP A 48 -14.415 4.665 -4.841 1.00 0.35 C ATOM 801 CD1 TRP A 48 -15.747 4.417 -4.886 1.00 0.37 C ATOM 802 CD2 TRP A 48 -13.906 3.928 -3.691 1.00 0.35 C ATOM 803 NE1 TRP A 48 -16.083 3.581 -3.838 1.00 0.37 N ATOM 804 CE2 TRP A 48 -14.985 3.250 -3.073 1.00 0.36 C ATOM 805 CE3 TRP A 48 -12.626 3.785 -3.132 1.00 0.37 C ATOM 806 CZ2 TRP A 48 -14.799 2.461 -1.935 1.00 0.39 C ATOM 807 CZ3 TRP A 48 -12.434 2.993 -1.992 1.00 0.41 C ATOM 808 CH2 TRP A 48 -13.516 2.334 -1.394 1.00 0.42 C ATOM 0 H TRP A 48 -15.399 4.619 -7.378 1.00 0.44 H new ATOM 0 HA TRP A 48 -12.592 5.429 -7.647 1.00 0.33 H new ATOM 0 HB2 TRP A 48 -12.747 5.907 -5.293 1.00 0.36 H new ATOM 0 HB3 TRP A 48 -14.255 6.433 -6.015 1.00 0.36 H new ATOM 0 HD1 TRP A 48 -16.434 4.809 -5.621 1.00 0.37 H new ATOM 0 HE1 TRP A 48 -17.029 3.249 -3.653 1.00 0.37 H new ATOM 0 HE3 TRP A 48 -11.784 4.289 -3.583 1.00 0.37 H new ATOM 0 HZ2 TRP A 48 -15.637 1.955 -1.478 1.00 0.39 H new ATOM 0 HZ3 TRP A 48 -11.445 2.890 -1.571 1.00 0.41 H new ATOM 0 HH2 TRP A 48 -13.359 1.727 -0.514 1.00 0.42 H new ATOM 819 N GLN A 49 -13.301 2.394 -6.978 1.00 0.41 N ATOM 820 CA GLN A 49 -12.708 1.060 -6.669 1.00 0.47 C ATOM 821 C GLN A 49 -11.568 0.731 -7.641 1.00 0.37 C ATOM 822 O GLN A 49 -10.548 0.197 -7.254 1.00 0.38 O ATOM 823 CB GLN A 49 -13.799 0.000 -6.814 1.00 0.65 C ATOM 824 CG GLN A 49 -14.817 0.150 -5.682 1.00 1.21 C ATOM 825 CD GLN A 49 -16.025 -0.741 -5.973 1.00 1.35 C ATOM 826 OE1 GLN A 49 -16.292 -1.066 -7.113 1.00 1.96 O ATOM 827 NE2 GLN A 49 -16.775 -1.152 -4.987 1.00 1.59 N ATOM 0 H GLN A 49 -14.244 2.369 -7.367 1.00 0.41 H new ATOM 0 HA GLN A 49 -12.309 1.075 -5.655 1.00 0.47 H new ATOM 0 HB2 GLN A 49 -14.295 0.105 -7.779 1.00 0.65 H new ATOM 0 HB3 GLN A 49 -13.357 -0.996 -6.789 1.00 0.65 H new ATOM 0 HG2 GLN A 49 -14.365 -0.129 -4.730 1.00 1.21 H new ATOM 0 HG3 GLN A 49 -15.130 1.190 -5.593 1.00 1.21 H new ATOM 0 HE21 GLN A 49 -16.552 -0.880 -4.029 1.00 1.59 H new ATOM 0 HE22 GLN A 49 -17.584 -1.745 -5.174 1.00 1.59 H new ATOM 836 N ASN A 50 -11.743 1.027 -8.899 1.00 0.37 N ATOM 837 CA ASN A 50 -10.686 0.711 -9.906 1.00 0.39 C ATOM 838 C ASN A 50 -9.457 1.608 -9.725 1.00 0.34 C ATOM 839 O ASN A 50 -8.336 1.176 -9.905 1.00 0.39 O ATOM 840 CB ASN A 50 -11.259 0.902 -11.314 1.00 0.53 C ATOM 841 CG ASN A 50 -12.269 -0.210 -11.608 1.00 0.63 C ATOM 842 OD1 ASN A 50 -12.145 -1.307 -11.100 1.00 1.25 O ATOM 843 ND2 ASN A 50 -13.274 0.028 -12.405 1.00 1.28 N ATOM 0 H ASN A 50 -12.577 1.477 -9.277 1.00 0.37 H new ATOM 0 HA ASN A 50 -10.372 -0.323 -9.764 1.00 0.39 H new ATOM 0 HB2 ASN A 50 -11.741 1.876 -11.393 1.00 0.53 H new ATOM 0 HB3 ASN A 50 -10.456 0.883 -12.051 1.00 0.53 H new ATOM 0 HD21 ASN A 50 -13.954 -0.706 -12.601 1.00 1.28 H new ATOM 0 HD22 ASN A 50 -13.379 0.948 -12.832 1.00 1.28 H new ATOM 850 N SER A 51 -9.651 2.857 -9.404 1.00 0.31 N ATOM 851 CA SER A 51 -8.483 3.776 -9.252 1.00 0.36 C ATOM 852 C SER A 51 -7.537 3.272 -8.155 1.00 0.37 C ATOM 853 O SER A 51 -6.331 3.328 -8.294 1.00 0.50 O ATOM 854 CB SER A 51 -8.988 5.170 -8.877 1.00 0.38 C ATOM 855 OG SER A 51 -7.896 6.080 -8.873 1.00 1.49 O ATOM 0 H SER A 51 -10.564 3.282 -9.240 1.00 0.31 H new ATOM 0 HA SER A 51 -7.939 3.811 -10.196 1.00 0.36 H new ATOM 0 HB2 SER A 51 -9.747 5.498 -9.588 1.00 0.38 H new ATOM 0 HB3 SER A 51 -9.460 5.146 -7.895 1.00 0.38 H new ATOM 0 HG SER A 51 -8.217 6.975 -8.634 1.00 1.49 H new ATOM 861 N ILE A 52 -8.067 2.796 -7.064 1.00 0.33 N ATOM 862 CA ILE A 52 -7.197 2.305 -5.955 1.00 0.43 C ATOM 863 C ILE A 52 -6.302 1.153 -6.437 1.00 0.42 C ATOM 864 O ILE A 52 -5.107 1.155 -6.214 1.00 0.47 O ATOM 865 CB ILE A 52 -8.092 1.823 -4.807 1.00 0.51 C ATOM 866 CG1 ILE A 52 -8.866 3.005 -4.186 1.00 0.62 C ATOM 867 CG2 ILE A 52 -7.252 1.113 -3.742 1.00 0.64 C ATOM 868 CD1 ILE A 52 -7.955 3.953 -3.388 1.00 0.64 C ATOM 0 H ILE A 52 -9.070 2.725 -6.890 1.00 0.33 H new ATOM 0 HA ILE A 52 -6.553 3.116 -5.615 1.00 0.43 H new ATOM 0 HB ILE A 52 -8.817 1.115 -5.208 1.00 0.51 H new ATOM 0 HG12 ILE A 52 -9.363 3.565 -4.978 1.00 0.62 H new ATOM 0 HG13 ILE A 52 -9.647 2.619 -3.530 1.00 0.62 H new ATOM 0 HG21 ILE A 52 -7.900 0.776 -2.933 1.00 0.64 H new ATOM 0 HG22 ILE A 52 -6.751 0.254 -4.187 1.00 0.64 H new ATOM 0 HG23 ILE A 52 -6.507 1.803 -3.347 1.00 0.64 H new ATOM 0 HD11 ILE A 52 -8.550 4.766 -2.973 1.00 0.64 H new ATOM 0 HD12 ILE A 52 -7.478 3.402 -2.577 1.00 0.64 H new ATOM 0 HD13 ILE A 52 -7.190 4.363 -4.047 1.00 0.64 H new ATOM 880 N ARG A 53 -6.865 0.162 -7.073 1.00 0.45 N ATOM 881 CA ARG A 53 -6.043 -0.996 -7.542 1.00 0.53 C ATOM 882 C ARG A 53 -5.018 -0.515 -8.571 1.00 0.49 C ATOM 883 O ARG A 53 -3.887 -0.956 -8.588 1.00 0.47 O ATOM 884 CB ARG A 53 -6.962 -2.041 -8.179 1.00 0.76 C ATOM 885 CG ARG A 53 -8.180 -2.228 -7.273 1.00 0.56 C ATOM 886 CD ARG A 53 -8.964 -3.478 -7.671 1.00 0.37 C ATOM 887 NE ARG A 53 -10.272 -3.488 -6.959 1.00 1.42 N ATOM 888 CZ ARG A 53 -11.252 -4.233 -7.396 1.00 1.74 C ATOM 889 NH1 ARG A 53 -11.112 -4.918 -8.499 1.00 1.58 N ATOM 890 NH2 ARG A 53 -12.376 -4.281 -6.736 1.00 2.76 N ATOM 0 H ARG A 53 -7.860 0.102 -7.290 1.00 0.45 H new ATOM 0 HA ARG A 53 -5.519 -1.439 -6.695 1.00 0.53 H new ATOM 0 HB2 ARG A 53 -7.274 -1.717 -9.172 1.00 0.76 H new ATOM 0 HB3 ARG A 53 -6.433 -2.986 -8.303 1.00 0.76 H new ATOM 0 HG2 ARG A 53 -7.858 -2.310 -6.235 1.00 0.56 H new ATOM 0 HG3 ARG A 53 -8.825 -1.352 -7.338 1.00 0.56 H new ATOM 0 HD2 ARG A 53 -9.124 -3.493 -8.749 1.00 0.37 H new ATOM 0 HD3 ARG A 53 -8.394 -4.373 -7.421 1.00 0.37 H new ATOM 0 HE ARG A 53 -10.403 -2.912 -6.128 1.00 1.42 H new ATOM 0 HH11 ARG A 53 -10.237 -4.872 -9.020 1.00 1.58 H new ATOM 0 HH12 ARG A 53 -11.878 -5.499 -8.839 1.00 1.58 H new ATOM 0 HH21 ARG A 53 -12.489 -3.737 -5.880 1.00 2.76 H new ATOM 0 HH22 ARG A 53 -13.142 -4.862 -7.076 1.00 2.76 H new ATOM 904 N HIS A 54 -5.408 0.385 -9.428 1.00 0.52 N ATOM 905 CA HIS A 54 -4.459 0.892 -10.457 1.00 0.59 C ATOM 906 C HIS A 54 -3.262 1.532 -9.751 1.00 0.53 C ATOM 907 O HIS A 54 -2.128 1.369 -10.156 1.00 0.59 O ATOM 908 CB HIS A 54 -5.171 1.933 -11.323 1.00 0.67 C ATOM 909 CG HIS A 54 -4.258 2.400 -12.422 1.00 1.12 C ATOM 910 ND1 HIS A 54 -3.447 1.528 -13.131 1.00 1.81 N ATOM 911 CD2 HIS A 54 -4.042 3.641 -12.968 1.00 1.99 C ATOM 912 CE1 HIS A 54 -2.790 2.249 -14.057 1.00 2.38 C ATOM 913 NE2 HIS A 54 -3.116 3.542 -14.001 1.00 2.48 N ATOM 0 H HIS A 54 -6.343 0.792 -9.461 1.00 0.52 H new ATOM 0 HA HIS A 54 -4.113 0.074 -11.090 1.00 0.59 H new ATOM 0 HB2 HIS A 54 -6.078 1.504 -11.750 1.00 0.67 H new ATOM 0 HB3 HIS A 54 -5.478 2.780 -10.709 1.00 0.67 H new ATOM 0 HD2 HIS A 54 -4.518 4.555 -12.645 1.00 1.99 H new ATOM 0 HE1 HIS A 54 -2.084 1.832 -14.760 1.00 2.38 H new ATOM 0 HE2 HIS A 54 -2.762 4.296 -14.590 1.00 2.48 H new ATOM 921 N ASN A 55 -3.504 2.247 -8.686 1.00 0.46 N ATOM 922 CA ASN A 55 -2.379 2.881 -7.944 1.00 0.50 C ATOM 923 C ASN A 55 -1.507 1.794 -7.312 1.00 0.45 C ATOM 924 O ASN A 55 -0.297 1.887 -7.299 1.00 0.51 O ATOM 925 CB ASN A 55 -2.937 3.790 -6.846 1.00 0.53 C ATOM 926 CG ASN A 55 -3.539 5.045 -7.477 1.00 1.27 C ATOM 927 OD1 ASN A 55 -2.826 6.138 -7.532 1.00 2.07 O flip ATOM 928 ND2 ASN A 55 -4.671 5.036 -7.918 1.00 1.97 N flip ATOM 0 H ASN A 55 -4.432 2.419 -8.298 1.00 0.46 H new ATOM 0 HA ASN A 55 -1.778 3.473 -8.634 1.00 0.50 H new ATOM 0 HB2 ASN A 55 -3.696 3.259 -6.271 1.00 0.53 H new ATOM 0 HB3 ASN A 55 -2.145 4.065 -6.150 1.00 0.53 H new ATOM 0 HD21 ASN A 55 -5.228 4.183 -7.875 1.00 1.97 H new ATOM 0 HD22 ASN A 55 -5.064 5.882 -8.331 1.00 1.97 H new ATOM 935 N LEU A 56 -2.112 0.761 -6.787 1.00 0.39 N ATOM 936 CA LEU A 56 -1.306 -0.325 -6.158 1.00 0.39 C ATOM 937 C LEU A 56 -0.366 -0.954 -7.190 1.00 0.44 C ATOM 938 O LEU A 56 0.767 -1.272 -6.891 1.00 0.78 O ATOM 939 CB LEU A 56 -2.235 -1.397 -5.572 1.00 0.44 C ATOM 940 CG LEU A 56 -2.959 -0.848 -4.331 1.00 0.50 C ATOM 941 CD1 LEU A 56 -4.036 -1.845 -3.883 1.00 0.65 C ATOM 942 CD2 LEU A 56 -1.958 -0.626 -3.179 1.00 0.53 C ATOM 0 H LEU A 56 -3.122 0.623 -6.767 1.00 0.39 H new ATOM 0 HA LEU A 56 -0.707 0.104 -5.354 1.00 0.39 H new ATOM 0 HB2 LEU A 56 -2.964 -1.706 -6.321 1.00 0.44 H new ATOM 0 HB3 LEU A 56 -1.658 -2.282 -5.304 1.00 0.44 H new ATOM 0 HG LEU A 56 -3.421 0.105 -4.587 1.00 0.50 H new ATOM 0 HD11 LEU A 56 -4.549 -1.456 -3.004 1.00 0.65 H new ATOM 0 HD12 LEU A 56 -4.756 -1.989 -4.689 1.00 0.65 H new ATOM 0 HD13 LEU A 56 -3.569 -2.799 -3.638 1.00 0.65 H new ATOM 0 HD21 LEU A 56 -2.486 -0.237 -2.308 1.00 0.53 H new ATOM 0 HD22 LEU A 56 -1.483 -1.573 -2.923 1.00 0.53 H new ATOM 0 HD23 LEU A 56 -1.197 0.089 -3.491 1.00 0.53 H new ATOM 954 N SER A 57 -0.820 -1.147 -8.397 1.00 0.55 N ATOM 955 CA SER A 57 0.060 -1.767 -9.431 1.00 0.61 C ATOM 956 C SER A 57 1.165 -0.794 -9.863 1.00 0.64 C ATOM 957 O SER A 57 2.293 -1.185 -10.090 1.00 0.69 O ATOM 958 CB SER A 57 -0.781 -2.145 -10.650 1.00 0.71 C ATOM 959 OG SER A 57 0.001 -2.943 -11.527 1.00 1.60 O ATOM 0 H SER A 57 -1.759 -0.904 -8.713 1.00 0.55 H new ATOM 0 HA SER A 57 0.525 -2.655 -9.003 1.00 0.61 H new ATOM 0 HB2 SER A 57 -1.671 -2.692 -10.338 1.00 0.71 H new ATOM 0 HB3 SER A 57 -1.123 -1.247 -11.164 1.00 0.71 H new ATOM 0 HG SER A 57 -0.534 -3.189 -12.310 1.00 1.60 H new ATOM 965 N LEU A 58 0.846 0.464 -10.007 1.00 0.65 N ATOM 966 CA LEU A 58 1.866 1.458 -10.461 1.00 0.73 C ATOM 967 C LEU A 58 2.949 1.696 -9.402 1.00 0.69 C ATOM 968 O LEU A 58 4.109 1.853 -9.725 1.00 0.76 O ATOM 969 CB LEU A 58 1.173 2.786 -10.770 1.00 0.81 C ATOM 970 CG LEU A 58 0.340 2.659 -12.053 1.00 0.95 C ATOM 971 CD1 LEU A 58 -0.551 3.899 -12.196 1.00 1.38 C ATOM 972 CD2 LEU A 58 1.260 2.538 -13.284 1.00 1.31 C ATOM 0 H LEU A 58 -0.081 0.850 -9.829 1.00 0.65 H new ATOM 0 HA LEU A 58 2.348 1.055 -11.352 1.00 0.73 H new ATOM 0 HB2 LEU A 58 0.531 3.073 -9.937 1.00 0.81 H new ATOM 0 HB3 LEU A 58 1.916 3.575 -10.886 1.00 0.81 H new ATOM 0 HG LEU A 58 -0.276 1.762 -11.991 1.00 0.95 H new ATOM 0 HD11 LEU A 58 -1.146 3.816 -13.105 1.00 1.38 H new ATOM 0 HD12 LEU A 58 -1.214 3.972 -11.334 1.00 1.38 H new ATOM 0 HD13 LEU A 58 0.073 4.791 -12.251 1.00 1.38 H new ATOM 0 HD21 LEU A 58 0.653 2.449 -14.185 1.00 1.31 H new ATOM 0 HD22 LEU A 58 1.889 3.425 -13.357 1.00 1.31 H new ATOM 0 HD23 LEU A 58 1.890 1.654 -13.182 1.00 1.31 H new ATOM 984 N ASN A 59 2.592 1.763 -8.150 1.00 0.62 N ATOM 985 CA ASN A 59 3.625 2.038 -7.110 1.00 0.61 C ATOM 986 C ASN A 59 4.674 0.922 -7.090 1.00 0.56 C ATOM 987 O ASN A 59 4.377 -0.226 -6.827 1.00 0.52 O ATOM 988 CB ASN A 59 2.951 2.136 -5.741 1.00 0.64 C ATOM 989 CG ASN A 59 1.924 3.270 -5.766 1.00 0.83 C ATOM 990 OD1 ASN A 59 0.805 3.101 -5.325 1.00 1.42 O ATOM 991 ND2 ASN A 59 2.258 4.425 -6.274 1.00 1.29 N ATOM 0 H ASN A 59 1.641 1.641 -7.803 1.00 0.62 H new ATOM 0 HA ASN A 59 4.122 2.979 -7.344 1.00 0.61 H new ATOM 0 HB2 ASN A 59 2.463 1.193 -5.494 1.00 0.64 H new ATOM 0 HB3 ASN A 59 3.696 2.321 -4.968 1.00 0.64 H new ATOM 0 HD21 ASN A 59 1.579 5.186 -6.301 1.00 1.29 H new ATOM 0 HD22 ASN A 59 3.198 4.567 -6.644 1.00 1.29 H new ATOM 998 N GLU A 60 5.906 1.265 -7.363 1.00 0.62 N ATOM 999 CA GLU A 60 6.998 0.249 -7.361 1.00 0.65 C ATOM 1000 C GLU A 60 7.515 0.053 -5.934 1.00 0.58 C ATOM 1001 O GLU A 60 7.944 -1.022 -5.559 1.00 0.55 O ATOM 1002 CB GLU A 60 8.142 0.738 -8.249 1.00 0.84 C ATOM 1003 CG GLU A 60 7.696 0.717 -9.711 1.00 0.97 C ATOM 1004 CD GLU A 60 8.841 1.206 -10.602 1.00 1.52 C ATOM 1005 OE1 GLU A 60 9.816 1.700 -10.061 1.00 2.17 O ATOM 1006 OE2 GLU A 60 8.720 1.079 -11.809 1.00 2.02 O ATOM 0 H GLU A 60 6.204 2.214 -7.589 1.00 0.62 H new ATOM 0 HA GLU A 60 6.614 -0.698 -7.741 1.00 0.65 H new ATOM 0 HB2 GLU A 60 8.434 1.748 -7.961 1.00 0.84 H new ATOM 0 HB3 GLU A 60 9.018 0.103 -8.115 1.00 0.84 H new ATOM 0 HG2 GLU A 60 7.403 -0.293 -9.998 1.00 0.97 H new ATOM 0 HG3 GLU A 60 6.821 1.353 -9.844 1.00 0.97 H new ATOM 1013 N CYS A 61 7.480 1.084 -5.133 1.00 0.62 N ATOM 1014 CA CYS A 61 7.971 0.960 -3.731 1.00 0.65 C ATOM 1015 C CYS A 61 7.051 0.012 -2.965 1.00 0.53 C ATOM 1016 O CYS A 61 7.338 -0.393 -1.855 1.00 0.57 O ATOM 1017 CB CYS A 61 7.978 2.337 -3.064 1.00 0.78 C ATOM 1018 SG CYS A 61 6.373 3.139 -3.303 1.00 1.56 S ATOM 0 H CYS A 61 7.132 2.008 -5.390 1.00 0.62 H new ATOM 0 HA CYS A 61 8.986 0.563 -3.728 1.00 0.65 H new ATOM 0 HB2 CYS A 61 8.189 2.235 -2.000 1.00 0.78 H new ATOM 0 HB3 CYS A 61 8.770 2.953 -3.489 1.00 0.78 H new ATOM 0 HG CYS A 61 6.383 4.307 -2.733 1.00 1.56 H new ATOM 1024 N PHE A 62 5.951 -0.356 -3.561 1.00 0.46 N ATOM 1025 CA PHE A 62 5.002 -1.293 -2.892 1.00 0.40 C ATOM 1026 C PHE A 62 5.405 -2.722 -3.271 1.00 0.44 C ATOM 1027 O PHE A 62 5.765 -2.988 -4.401 1.00 0.55 O ATOM 1028 CB PHE A 62 3.579 -0.985 -3.381 1.00 0.44 C ATOM 1029 CG PHE A 62 2.954 0.111 -2.539 1.00 0.40 C ATOM 1030 CD1 PHE A 62 3.730 1.179 -2.063 1.00 1.29 C ATOM 1031 CD2 PHE A 62 1.587 0.058 -2.242 1.00 1.27 C ATOM 1032 CE1 PHE A 62 3.137 2.187 -1.292 1.00 1.32 C ATOM 1033 CE2 PHE A 62 0.996 1.066 -1.470 1.00 1.32 C ATOM 1034 CZ PHE A 62 1.771 2.130 -0.995 1.00 0.59 C ATOM 0 H PHE A 62 5.666 -0.046 -4.490 1.00 0.46 H new ATOM 0 HA PHE A 62 5.031 -1.182 -1.808 1.00 0.40 H new ATOM 0 HB2 PHE A 62 3.606 -0.678 -4.427 1.00 0.44 H new ATOM 0 HB3 PHE A 62 2.967 -1.886 -3.329 1.00 0.44 H new ATOM 0 HD1 PHE A 62 4.785 1.224 -2.291 1.00 1.29 H new ATOM 0 HD2 PHE A 62 0.987 -0.762 -2.609 1.00 1.27 H new ATOM 0 HE1 PHE A 62 3.735 3.009 -0.927 1.00 1.32 H new ATOM 0 HE2 PHE A 62 -0.059 1.022 -1.241 1.00 1.32 H new ATOM 0 HZ PHE A 62 1.315 2.907 -0.399 1.00 0.59 H new ATOM 1044 N VAL A 63 5.376 -3.636 -2.333 1.00 0.46 N ATOM 1045 CA VAL A 63 5.788 -5.047 -2.625 1.00 0.55 C ATOM 1046 C VAL A 63 4.661 -6.019 -2.266 1.00 0.45 C ATOM 1047 O VAL A 63 4.116 -5.983 -1.180 1.00 0.45 O ATOM 1048 CB VAL A 63 7.022 -5.379 -1.785 1.00 0.74 C ATOM 1049 CG1 VAL A 63 7.548 -6.764 -2.167 1.00 0.85 C ATOM 1050 CG2 VAL A 63 8.107 -4.329 -2.036 1.00 0.91 C ATOM 0 H VAL A 63 5.083 -3.466 -1.371 1.00 0.46 H new ATOM 0 HA VAL A 63 6.010 -5.144 -3.688 1.00 0.55 H new ATOM 0 HB VAL A 63 6.752 -5.377 -0.729 1.00 0.74 H new ATOM 0 HG11 VAL A 63 8.427 -6.998 -1.567 1.00 0.85 H new ATOM 0 HG12 VAL A 63 6.775 -7.510 -1.984 1.00 0.85 H new ATOM 0 HG13 VAL A 63 7.817 -6.772 -3.223 1.00 0.85 H new ATOM 0 HG21 VAL A 63 8.987 -4.565 -1.438 1.00 0.91 H new ATOM 0 HG22 VAL A 63 8.376 -4.329 -3.092 1.00 0.91 H new ATOM 0 HG23 VAL A 63 7.732 -3.344 -1.757 1.00 0.91 H new ATOM 1060 N LYS A 64 4.317 -6.897 -3.171 1.00 0.53 N ATOM 1061 CA LYS A 64 3.236 -7.888 -2.888 1.00 0.56 C ATOM 1062 C LYS A 64 3.792 -8.983 -1.969 1.00 0.54 C ATOM 1063 O LYS A 64 4.957 -9.320 -2.034 1.00 0.77 O ATOM 1064 CB LYS A 64 2.772 -8.514 -4.206 1.00 0.84 C ATOM 1065 CG LYS A 64 2.233 -7.427 -5.140 1.00 0.94 C ATOM 1066 CD LYS A 64 1.775 -8.076 -6.448 1.00 1.11 C ATOM 1067 CE LYS A 64 1.231 -7.009 -7.401 1.00 1.05 C ATOM 1068 NZ LYS A 64 1.183 -7.559 -8.785 1.00 1.81 N ATOM 0 H LYS A 64 4.739 -6.971 -4.097 1.00 0.53 H new ATOM 0 HA LYS A 64 2.394 -7.394 -2.403 1.00 0.56 H new ATOM 0 HB2 LYS A 64 3.602 -9.036 -4.682 1.00 0.84 H new ATOM 0 HB3 LYS A 64 1.997 -9.256 -4.013 1.00 0.84 H new ATOM 0 HG2 LYS A 64 1.401 -6.904 -4.668 1.00 0.94 H new ATOM 0 HG3 LYS A 64 3.006 -6.684 -5.339 1.00 0.94 H new ATOM 0 HD2 LYS A 64 2.609 -8.601 -6.914 1.00 1.11 H new ATOM 0 HD3 LYS A 64 1.005 -8.820 -6.244 1.00 1.11 H new ATOM 0 HE2 LYS A 64 0.235 -6.699 -7.086 1.00 1.05 H new ATOM 0 HE3 LYS A 64 1.865 -6.123 -7.372 1.00 1.05 H new ATOM 0 HZ1 LYS A 64 0.813 -6.835 -9.434 1.00 1.81 H new ATOM 0 HZ2 LYS A 64 2.141 -7.834 -9.083 1.00 1.81 H new ATOM 0 HZ3 LYS A 64 0.561 -8.392 -8.806 1.00 1.81 H new ATOM 1082 N VAL A 65 2.974 -9.540 -1.110 1.00 0.50 N ATOM 1083 CA VAL A 65 3.457 -10.612 -0.182 1.00 0.57 C ATOM 1084 C VAL A 65 2.387 -11.703 -0.057 1.00 0.63 C ATOM 1085 O VAL A 65 1.834 -11.917 1.003 1.00 0.84 O ATOM 1086 CB VAL A 65 3.710 -9.991 1.194 1.00 0.69 C ATOM 1087 CG1 VAL A 65 4.442 -10.988 2.091 1.00 1.28 C ATOM 1088 CG2 VAL A 65 4.560 -8.730 1.030 1.00 0.69 C ATOM 0 H VAL A 65 1.988 -9.298 -1.011 1.00 0.50 H new ATOM 0 HA VAL A 65 4.376 -11.052 -0.570 1.00 0.57 H new ATOM 0 HB VAL A 65 2.756 -9.734 1.654 1.00 0.69 H new ATOM 0 HG11 VAL A 65 4.618 -10.538 3.068 1.00 1.28 H new ATOM 0 HG12 VAL A 65 3.835 -11.885 2.209 1.00 1.28 H new ATOM 0 HG13 VAL A 65 5.397 -11.253 1.637 1.00 1.28 H new ATOM 0 HG21 VAL A 65 4.743 -8.285 2.008 1.00 0.69 H new ATOM 0 HG22 VAL A 65 5.512 -8.990 0.567 1.00 0.69 H new ATOM 0 HG23 VAL A 65 4.032 -8.015 0.398 1.00 0.69 H new ATOM 1098 N PRO A 66 2.096 -12.389 -1.131 1.00 0.81 N ATOM 1099 CA PRO A 66 1.065 -13.463 -1.153 1.00 0.96 C ATOM 1100 C PRO A 66 1.003 -14.272 0.145 1.00 0.95 C ATOM 1101 O PRO A 66 1.916 -14.258 0.948 1.00 1.13 O ATOM 1102 CB PRO A 66 1.515 -14.336 -2.321 1.00 1.25 C ATOM 1103 CG PRO A 66 2.126 -13.373 -3.291 1.00 1.65 C ATOM 1104 CD PRO A 66 2.725 -12.228 -2.455 1.00 1.18 C ATOM 0 HA PRO A 66 0.058 -13.060 -1.257 1.00 0.96 H new ATOM 0 HB2 PRO A 66 2.236 -15.088 -2.000 1.00 1.25 H new ATOM 0 HB3 PRO A 66 0.675 -14.869 -2.766 1.00 1.25 H new ATOM 0 HG2 PRO A 66 2.896 -13.861 -3.888 1.00 1.65 H new ATOM 0 HG3 PRO A 66 1.376 -12.994 -3.986 1.00 1.65 H new ATOM 0 HD2 PRO A 66 3.811 -12.304 -2.393 1.00 1.18 H new ATOM 0 HD3 PRO A 66 2.498 -11.255 -2.890 1.00 1.18 H new ATOM 1112 N ARG A 67 -0.071 -14.982 0.351 1.00 1.01 N ATOM 1113 CA ARG A 67 -0.204 -15.794 1.590 1.00 1.04 C ATOM 1114 C ARG A 67 0.940 -16.809 1.641 1.00 1.22 C ATOM 1115 O ARG A 67 1.844 -16.780 0.830 1.00 1.43 O ATOM 1116 CB ARG A 67 -1.532 -16.551 1.568 1.00 1.12 C ATOM 1117 CG ARG A 67 -2.698 -15.566 1.480 1.00 1.26 C ATOM 1118 CD ARG A 67 -4.018 -16.337 1.508 1.00 1.35 C ATOM 1119 NE ARG A 67 -4.225 -16.910 2.867 1.00 2.34 N ATOM 1120 CZ ARG A 67 -5.409 -17.325 3.226 1.00 3.01 C ATOM 1121 NH1 ARG A 67 -6.410 -17.242 2.393 1.00 3.04 N ATOM 1122 NH2 ARG A 67 -5.590 -17.820 4.421 1.00 4.09 N ATOM 0 H ARG A 67 -0.864 -15.034 -0.288 1.00 1.01 H new ATOM 0 HA ARG A 67 -0.170 -15.139 2.461 1.00 1.04 H new ATOM 0 HB2 ARG A 67 -1.557 -17.232 0.718 1.00 1.12 H new ATOM 0 HB3 ARG A 67 -1.627 -17.160 2.467 1.00 1.12 H new ATOM 0 HG2 ARG A 67 -2.657 -14.862 2.312 1.00 1.26 H new ATOM 0 HG3 ARG A 67 -2.625 -14.981 0.563 1.00 1.26 H new ATOM 0 HD2 ARG A 67 -4.845 -15.675 1.250 1.00 1.35 H new ATOM 0 HD3 ARG A 67 -4.003 -17.133 0.764 1.00 1.35 H new ATOM 0 HE ARG A 67 -3.442 -16.978 3.517 1.00 2.34 H new ATOM 0 HH11 ARG A 67 -6.267 -16.853 1.461 1.00 3.04 H new ATOM 0 HH12 ARG A 67 -7.335 -17.566 2.674 1.00 3.04 H new ATOM 0 HH21 ARG A 67 -4.807 -17.882 5.072 1.00 4.09 H new ATOM 0 HH22 ARG A 67 -6.515 -18.145 4.704 1.00 4.09 H new ATOM 1136 N ASP A 68 0.904 -17.712 2.580 1.00 1.37 N ATOM 1137 CA ASP A 68 1.983 -18.736 2.674 1.00 1.69 C ATOM 1138 C ASP A 68 1.714 -19.838 1.649 1.00 1.82 C ATOM 1139 O ASP A 68 0.641 -19.929 1.088 1.00 1.72 O ATOM 1140 CB ASP A 68 2.004 -19.341 4.082 1.00 2.04 C ATOM 1141 CG ASP A 68 3.341 -20.045 4.325 1.00 2.36 C ATOM 1142 OD1 ASP A 68 4.039 -20.303 3.359 1.00 2.84 O ATOM 1143 OD2 ASP A 68 3.646 -20.313 5.477 1.00 2.80 O ATOM 0 H ASP A 68 0.173 -17.786 3.288 1.00 1.37 H new ATOM 0 HA ASP A 68 2.947 -18.270 2.472 1.00 1.69 H new ATOM 0 HB2 ASP A 68 1.854 -18.559 4.826 1.00 2.04 H new ATOM 0 HB3 ASP A 68 1.184 -20.050 4.195 1.00 2.04 H new ATOM 1148 N ASP A 69 2.681 -20.676 1.400 1.00 2.20 N ATOM 1149 CA ASP A 69 2.484 -21.773 0.410 1.00 2.51 C ATOM 1150 C ASP A 69 1.693 -22.918 1.049 1.00 2.64 C ATOM 1151 O ASP A 69 1.200 -23.795 0.370 1.00 2.81 O ATOM 1152 CB ASP A 69 3.845 -22.289 -0.061 1.00 2.99 C ATOM 1153 CG ASP A 69 4.509 -21.240 -0.955 1.00 3.02 C ATOM 1154 OD1 ASP A 69 3.787 -20.466 -1.563 1.00 3.02 O ATOM 1155 OD2 ASP A 69 5.727 -21.226 -1.016 1.00 3.46 O ATOM 0 H ASP A 69 3.601 -20.649 1.840 1.00 2.20 H new ATOM 0 HA ASP A 69 1.926 -21.388 -0.444 1.00 2.51 H new ATOM 0 HB2 ASP A 69 4.481 -22.505 0.798 1.00 2.99 H new ATOM 0 HB3 ASP A 69 3.722 -23.223 -0.609 1.00 2.99 H new ATOM 1160 N LYS A 70 1.571 -22.922 2.349 1.00 2.71 N ATOM 1161 CA LYS A 70 0.816 -24.018 3.018 1.00 3.01 C ATOM 1162 C LYS A 70 -0.631 -24.019 2.518 1.00 2.88 C ATOM 1163 O LYS A 70 -1.214 -25.057 2.283 1.00 3.27 O ATOM 1164 CB LYS A 70 0.824 -23.789 4.534 1.00 3.24 C ATOM 1165 CG LYS A 70 2.241 -23.967 5.100 1.00 3.55 C ATOM 1166 CD LYS A 70 2.564 -25.453 5.297 1.00 3.99 C ATOM 1167 CE LYS A 70 3.932 -25.588 5.967 1.00 4.15 C ATOM 1168 NZ LYS A 70 3.898 -24.942 7.310 1.00 4.50 N ATOM 0 H LYS A 70 1.960 -22.216 2.974 1.00 2.71 H new ATOM 0 HA LYS A 70 1.284 -24.975 2.788 1.00 3.01 H new ATOM 0 HB2 LYS A 70 0.461 -22.786 4.758 1.00 3.24 H new ATOM 0 HB3 LYS A 70 0.143 -24.490 5.017 1.00 3.24 H new ATOM 0 HG2 LYS A 70 2.967 -23.519 4.422 1.00 3.55 H new ATOM 0 HG3 LYS A 70 2.326 -23.442 6.051 1.00 3.55 H new ATOM 0 HD2 LYS A 70 1.797 -25.925 5.911 1.00 3.99 H new ATOM 0 HD3 LYS A 70 2.564 -25.967 4.336 1.00 3.99 H new ATOM 0 HE2 LYS A 70 4.197 -26.641 6.065 1.00 4.15 H new ATOM 0 HE3 LYS A 70 4.699 -25.122 5.348 1.00 4.15 H new ATOM 0 HZ1 LYS A 70 4.634 -25.359 7.915 1.00 4.50 H new ATOM 0 HZ2 LYS A 70 4.071 -23.921 7.209 1.00 4.50 H new ATOM 0 HZ3 LYS A 70 2.966 -25.094 7.745 1.00 4.50 H new ATOM 1182 N LYS A 71 -1.214 -22.861 2.350 1.00 2.51 N ATOM 1183 CA LYS A 71 -2.624 -22.797 1.863 1.00 2.52 C ATOM 1184 C LYS A 71 -2.629 -22.822 0.326 1.00 2.41 C ATOM 1185 O LYS A 71 -1.693 -22.351 -0.286 1.00 2.53 O ATOM 1186 CB LYS A 71 -3.275 -21.493 2.349 1.00 2.71 C ATOM 1187 CG LYS A 71 -3.427 -21.498 3.885 1.00 3.18 C ATOM 1188 CD LYS A 71 -2.195 -20.866 4.555 1.00 3.84 C ATOM 1189 CE LYS A 71 -2.357 -19.344 4.628 1.00 4.55 C ATOM 1190 NZ LYS A 71 -1.086 -18.731 5.106 1.00 5.12 N ATOM 0 H LYS A 71 -0.775 -21.958 2.529 1.00 2.51 H new ATOM 0 HA LYS A 71 -3.183 -23.650 2.249 1.00 2.52 H new ATOM 0 HB2 LYS A 71 -2.668 -20.641 2.041 1.00 2.71 H new ATOM 0 HB3 LYS A 71 -4.253 -21.373 1.882 1.00 2.71 H new ATOM 0 HG2 LYS A 71 -4.324 -20.947 4.168 1.00 3.18 H new ATOM 0 HG3 LYS A 71 -3.555 -22.521 4.239 1.00 3.18 H new ATOM 0 HD2 LYS A 71 -2.067 -21.274 5.558 1.00 3.84 H new ATOM 0 HD3 LYS A 71 -1.296 -21.117 3.992 1.00 3.84 H new ATOM 0 HE2 LYS A 71 -2.617 -18.948 3.646 1.00 4.55 H new ATOM 0 HE3 LYS A 71 -3.174 -19.087 5.303 1.00 4.55 H new ATOM 0 HZ1 LYS A 71 -1.201 -17.700 5.172 1.00 5.12 H new ATOM 0 HZ2 LYS A 71 -0.847 -19.113 6.043 1.00 5.12 H new ATOM 0 HZ3 LYS A 71 -0.321 -18.952 4.437 1.00 5.12 H new ATOM 1204 N PRO A 72 -3.663 -23.350 -0.302 1.00 2.64 N ATOM 1205 CA PRO A 72 -3.766 -23.395 -1.801 1.00 2.88 C ATOM 1206 C PRO A 72 -3.447 -22.050 -2.476 1.00 2.93 C ATOM 1207 O PRO A 72 -2.456 -21.410 -2.196 1.00 3.55 O ATOM 1208 CB PRO A 72 -5.233 -23.776 -2.045 1.00 3.42 C ATOM 1209 CG PRO A 72 -5.624 -24.574 -0.848 1.00 3.63 C ATOM 1210 CD PRO A 72 -4.845 -23.979 0.329 1.00 3.15 C ATOM 0 HA PRO A 72 -3.044 -24.092 -2.226 1.00 2.88 H new ATOM 0 HB2 PRO A 72 -5.859 -22.890 -2.152 1.00 3.42 H new ATOM 0 HB3 PRO A 72 -5.344 -24.357 -2.961 1.00 3.42 H new ATOM 0 HG2 PRO A 72 -6.698 -24.516 -0.674 1.00 3.63 H new ATOM 0 HG3 PRO A 72 -5.380 -25.628 -0.985 1.00 3.63 H new ATOM 0 HD2 PRO A 72 -5.442 -23.248 0.874 1.00 3.15 H new ATOM 0 HD3 PRO A 72 -4.553 -24.748 1.044 1.00 3.15 H new ATOM 1218 N GLY A 73 -4.286 -21.622 -3.379 1.00 2.75 N ATOM 1219 CA GLY A 73 -4.035 -20.327 -4.074 1.00 3.15 C ATOM 1220 C GLY A 73 -3.778 -19.240 -3.030 1.00 2.55 C ATOM 1221 O GLY A 73 -3.804 -19.498 -1.843 1.00 2.83 O ATOM 0 H GLY A 73 -5.133 -22.112 -3.666 1.00 2.75 H new ATOM 0 HA2 GLY A 73 -3.177 -20.418 -4.741 1.00 3.15 H new ATOM 0 HA3 GLY A 73 -4.892 -20.060 -4.692 1.00 3.15 H new ATOM 1225 N LYS A 74 -3.521 -18.028 -3.457 1.00 2.13 N ATOM 1226 CA LYS A 74 -3.248 -16.928 -2.480 1.00 1.96 C ATOM 1227 C LYS A 74 -4.001 -15.666 -2.901 1.00 1.78 C ATOM 1228 O LYS A 74 -4.284 -15.456 -4.064 1.00 2.25 O ATOM 1229 CB LYS A 74 -1.752 -16.614 -2.483 1.00 2.32 C ATOM 1230 CG LYS A 74 -0.956 -17.901 -2.258 1.00 2.88 C ATOM 1231 CD LYS A 74 0.540 -17.579 -2.263 1.00 3.39 C ATOM 1232 CE LYS A 74 1.351 -18.858 -2.040 1.00 4.03 C ATOM 1233 NZ LYS A 74 0.761 -19.974 -2.833 1.00 4.36 N ATOM 0 H LYS A 74 -3.488 -17.753 -4.439 1.00 2.13 H new ATOM 0 HA LYS A 74 -3.572 -17.243 -1.488 1.00 1.96 H new ATOM 0 HB2 LYS A 74 -1.468 -16.160 -3.432 1.00 2.32 H new ATOM 0 HB3 LYS A 74 -1.521 -15.890 -1.701 1.00 2.32 H new ATOM 0 HG2 LYS A 74 -1.239 -18.355 -1.308 1.00 2.88 H new ATOM 0 HG3 LYS A 74 -1.186 -18.626 -3.039 1.00 2.88 H new ATOM 0 HD2 LYS A 74 0.819 -17.122 -3.213 1.00 3.39 H new ATOM 0 HD3 LYS A 74 0.767 -16.854 -1.482 1.00 3.39 H new ATOM 0 HE2 LYS A 74 2.388 -18.698 -2.335 1.00 4.03 H new ATOM 0 HE3 LYS A 74 1.357 -19.116 -0.981 1.00 4.03 H new ATOM 0 HZ1 LYS A 74 1.465 -20.731 -2.944 1.00 4.36 H new ATOM 0 HZ2 LYS A 74 -0.074 -20.347 -2.339 1.00 4.36 H new ATOM 0 HZ3 LYS A 74 0.480 -19.623 -3.771 1.00 4.36 H new ATOM 1247 N GLY A 75 -4.300 -14.806 -1.965 1.00 1.86 N ATOM 1248 CA GLY A 75 -5.002 -13.538 -2.311 1.00 2.03 C ATOM 1249 C GLY A 75 -3.953 -12.513 -2.741 1.00 1.56 C ATOM 1250 O GLY A 75 -3.181 -12.750 -3.650 1.00 1.89 O ATOM 0 H GLY A 75 -4.088 -14.928 -0.975 1.00 1.86 H new ATOM 0 HA2 GLY A 75 -5.719 -13.708 -3.114 1.00 2.03 H new ATOM 0 HA3 GLY A 75 -5.565 -13.169 -1.454 1.00 2.03 H new ATOM 1254 N SER A 76 -3.899 -11.380 -2.092 1.00 1.22 N ATOM 1255 CA SER A 76 -2.878 -10.360 -2.469 1.00 0.88 C ATOM 1256 C SER A 76 -2.586 -9.454 -1.270 1.00 0.69 C ATOM 1257 O SER A 76 -3.335 -8.548 -0.962 1.00 0.93 O ATOM 1258 CB SER A 76 -3.399 -9.523 -3.640 1.00 1.12 C ATOM 1259 OG SER A 76 -4.771 -9.221 -3.426 1.00 1.80 O ATOM 0 H SER A 76 -4.514 -11.118 -1.322 1.00 1.22 H new ATOM 0 HA SER A 76 -1.958 -10.862 -2.768 1.00 0.88 H new ATOM 0 HB2 SER A 76 -2.822 -8.603 -3.730 1.00 1.12 H new ATOM 0 HB3 SER A 76 -3.276 -10.069 -4.575 1.00 1.12 H new ATOM 0 HG SER A 76 -4.912 -8.992 -2.484 1.00 1.80 H new ATOM 1265 N TYR A 77 -1.498 -9.698 -0.591 1.00 0.60 N ATOM 1266 CA TYR A 77 -1.139 -8.863 0.592 1.00 0.46 C ATOM 1267 C TYR A 77 -0.442 -7.590 0.105 1.00 0.38 C ATOM 1268 O TYR A 77 0.058 -7.542 -1.001 1.00 0.50 O ATOM 1269 CB TYR A 77 -0.182 -9.638 1.495 1.00 0.65 C ATOM 1270 CG TYR A 77 -0.873 -10.763 2.250 1.00 0.53 C ATOM 1271 CD1 TYR A 77 -2.117 -11.288 1.848 1.00 1.39 C ATOM 1272 CD2 TYR A 77 -0.245 -11.289 3.386 1.00 1.23 C ATOM 1273 CE1 TYR A 77 -2.712 -12.320 2.581 1.00 1.38 C ATOM 1274 CE2 TYR A 77 -0.842 -12.323 4.115 1.00 1.32 C ATOM 1275 CZ TYR A 77 -2.076 -12.835 3.714 1.00 0.70 C ATOM 1276 OH TYR A 77 -2.667 -13.853 4.435 1.00 0.90 O ATOM 0 H TYR A 77 -0.838 -10.445 -0.806 1.00 0.60 H new ATOM 0 HA TYR A 77 -2.041 -8.610 1.149 1.00 0.46 H new ATOM 0 HB2 TYR A 77 0.626 -10.053 0.892 1.00 0.65 H new ATOM 0 HB3 TYR A 77 0.274 -8.952 2.209 1.00 0.65 H new ATOM 0 HD1 TYR A 77 -2.612 -10.893 0.973 1.00 1.39 H new ATOM 0 HD2 TYR A 77 0.709 -10.893 3.702 1.00 1.23 H new ATOM 0 HE1 TYR A 77 -3.666 -12.720 2.271 1.00 1.38 H new ATOM 0 HE2 TYR A 77 -0.348 -12.724 4.987 1.00 1.32 H new ATOM 0 HH TYR A 77 -2.092 -14.095 5.191 1.00 0.90 H new ATOM 1286 N TRP A 78 -0.401 -6.557 0.911 1.00 0.32 N ATOM 1287 CA TRP A 78 0.272 -5.294 0.472 1.00 0.31 C ATOM 1288 C TRP A 78 1.031 -4.647 1.634 1.00 0.32 C ATOM 1289 O TRP A 78 0.509 -4.472 2.718 1.00 0.38 O ATOM 1290 CB TRP A 78 -0.787 -4.331 -0.065 1.00 0.34 C ATOM 1291 CG TRP A 78 -1.279 -4.845 -1.380 1.00 0.34 C ATOM 1292 CD1 TRP A 78 -2.353 -5.649 -1.552 1.00 0.44 C ATOM 1293 CD2 TRP A 78 -0.719 -4.616 -2.705 1.00 0.32 C ATOM 1294 NE1 TRP A 78 -2.490 -5.927 -2.900 1.00 0.46 N ATOM 1295 CE2 TRP A 78 -1.508 -5.312 -3.652 1.00 0.38 C ATOM 1296 CE3 TRP A 78 0.382 -3.879 -3.170 1.00 0.37 C ATOM 1297 CZ2 TRP A 78 -1.209 -5.277 -5.015 1.00 0.43 C ATOM 1298 CZ3 TRP A 78 0.683 -3.839 -4.539 1.00 0.45 C ATOM 1299 CH2 TRP A 78 -0.108 -4.537 -5.459 1.00 0.46 C ATOM 0 H TRP A 78 -0.802 -6.533 1.849 1.00 0.32 H new ATOM 0 HA TRP A 78 0.994 -5.527 -0.311 1.00 0.31 H new ATOM 0 HB2 TRP A 78 -1.613 -4.246 0.641 1.00 0.34 H new ATOM 0 HB3 TRP A 78 -0.365 -3.333 -0.183 1.00 0.34 H new ATOM 0 HD1 TRP A 78 -2.998 -6.014 -0.766 1.00 0.44 H new ATOM 0 HE1 TRP A 78 -3.226 -6.515 -3.291 1.00 0.46 H new ATOM 0 HE3 TRP A 78 1.001 -3.339 -2.469 1.00 0.37 H new ATOM 0 HZ2 TRP A 78 -1.823 -5.817 -5.721 1.00 0.43 H new ATOM 0 HZ3 TRP A 78 1.530 -3.266 -4.886 1.00 0.45 H new ATOM 0 HH2 TRP A 78 0.132 -4.504 -6.512 1.00 0.46 H new ATOM 1310 N THR A 79 2.266 -4.281 1.399 1.00 0.33 N ATOM 1311 CA THR A 79 3.088 -3.630 2.460 1.00 0.37 C ATOM 1312 C THR A 79 4.175 -2.780 1.794 1.00 0.40 C ATOM 1313 O THR A 79 4.620 -3.079 0.704 1.00 0.45 O ATOM 1314 CB THR A 79 3.740 -4.701 3.340 1.00 0.49 C ATOM 1315 OG1 THR A 79 4.413 -4.076 4.424 1.00 0.55 O ATOM 1316 CG2 THR A 79 4.742 -5.511 2.514 1.00 0.56 C ATOM 0 H THR A 79 2.743 -4.408 0.507 1.00 0.33 H new ATOM 0 HA THR A 79 2.453 -2.998 3.081 1.00 0.37 H new ATOM 0 HB THR A 79 2.970 -5.369 3.725 1.00 0.49 H new ATOM 0 HG1 THR A 79 5.378 -4.226 4.340 1.00 0.55 H new ATOM 0 HG21 THR A 79 5.203 -6.271 3.145 1.00 0.56 H new ATOM 0 HG22 THR A 79 4.224 -5.993 1.684 1.00 0.56 H new ATOM 0 HG23 THR A 79 5.513 -4.847 2.124 1.00 0.56 H new ATOM 1324 N LEU A 80 4.608 -1.726 2.430 1.00 0.45 N ATOM 1325 CA LEU A 80 5.667 -0.872 1.815 1.00 0.53 C ATOM 1326 C LEU A 80 6.923 -1.709 1.589 1.00 0.74 C ATOM 1327 O LEU A 80 7.599 -1.596 0.585 1.00 1.42 O ATOM 1328 CB LEU A 80 5.999 0.293 2.750 1.00 0.54 C ATOM 1329 CG LEU A 80 4.750 1.149 2.996 1.00 0.63 C ATOM 1330 CD1 LEU A 80 5.048 2.158 4.108 1.00 0.86 C ATOM 1331 CD2 LEU A 80 4.356 1.900 1.716 1.00 0.81 C ATOM 0 H LEU A 80 4.277 -1.419 3.345 1.00 0.45 H new ATOM 0 HA LEU A 80 5.307 -0.481 0.863 1.00 0.53 H new ATOM 0 HB2 LEU A 80 6.379 -0.089 3.697 1.00 0.54 H new ATOM 0 HB3 LEU A 80 6.788 0.905 2.314 1.00 0.54 H new ATOM 0 HG LEU A 80 3.924 0.501 3.290 1.00 0.63 H new ATOM 0 HD11 LEU A 80 4.165 2.771 4.289 1.00 0.86 H new ATOM 0 HD12 LEU A 80 5.314 1.625 5.021 1.00 0.86 H new ATOM 0 HD13 LEU A 80 5.878 2.797 3.806 1.00 0.86 H new ATOM 0 HD21 LEU A 80 3.468 2.503 1.907 1.00 0.81 H new ATOM 0 HD22 LEU A 80 5.176 2.549 1.408 1.00 0.81 H new ATOM 0 HD23 LEU A 80 4.144 1.182 0.924 1.00 0.81 H new ATOM 1343 N ASP A 81 7.226 -2.547 2.530 1.00 1.02 N ATOM 1344 CA ASP A 81 8.430 -3.423 2.425 1.00 1.23 C ATOM 1345 C ASP A 81 8.186 -4.680 3.275 1.00 1.68 C ATOM 1346 O ASP A 81 7.196 -4.753 3.975 1.00 2.48 O ATOM 1347 CB ASP A 81 9.656 -2.652 2.933 1.00 2.21 C ATOM 1348 CG ASP A 81 9.583 -2.497 4.455 1.00 3.06 C ATOM 1349 OD1 ASP A 81 8.543 -2.083 4.940 1.00 3.59 O ATOM 1350 OD2 ASP A 81 10.569 -2.796 5.108 1.00 3.72 O ATOM 0 H ASP A 81 6.684 -2.669 3.386 1.00 1.02 H new ATOM 0 HA ASP A 81 8.610 -3.717 1.391 1.00 1.23 H new ATOM 0 HB2 ASP A 81 10.568 -3.180 2.656 1.00 2.21 H new ATOM 0 HB3 ASP A 81 9.700 -1.671 2.461 1.00 2.21 H new ATOM 1355 N PRO A 82 9.051 -5.669 3.235 1.00 1.94 N ATOM 1356 CA PRO A 82 8.859 -6.912 4.033 1.00 2.93 C ATOM 1357 C PRO A 82 9.256 -6.705 5.500 1.00 3.37 C ATOM 1358 O PRO A 82 9.801 -5.682 5.866 1.00 3.55 O ATOM 1359 CB PRO A 82 9.776 -7.951 3.346 1.00 3.39 C ATOM 1360 CG PRO A 82 10.410 -7.246 2.178 1.00 3.08 C ATOM 1361 CD PRO A 82 10.296 -5.749 2.460 1.00 2.16 C ATOM 0 HA PRO A 82 7.816 -7.229 4.058 1.00 2.93 H new ATOM 0 HB2 PRO A 82 10.535 -8.318 4.037 1.00 3.39 H new ATOM 0 HB3 PRO A 82 9.203 -8.816 3.014 1.00 3.39 H new ATOM 0 HG2 PRO A 82 11.453 -7.541 2.067 1.00 3.08 H new ATOM 0 HG3 PRO A 82 9.904 -7.505 1.248 1.00 3.08 H new ATOM 0 HD2 PRO A 82 11.151 -5.375 3.024 1.00 2.16 H new ATOM 0 HD3 PRO A 82 10.241 -5.165 1.541 1.00 2.16 H new ATOM 1369 N ASP A 83 9.006 -7.674 6.338 1.00 3.97 N ATOM 1370 CA ASP A 83 9.388 -7.533 7.772 1.00 4.69 C ATOM 1371 C ASP A 83 10.851 -7.945 7.912 1.00 4.54 C ATOM 1372 O ASP A 83 11.179 -8.916 8.565 1.00 5.25 O ATOM 1373 CB ASP A 83 8.518 -8.439 8.644 1.00 5.64 C ATOM 1374 CG ASP A 83 7.086 -7.902 8.680 1.00 6.30 C ATOM 1375 OD1 ASP A 83 6.902 -6.738 8.363 1.00 6.58 O ATOM 1376 OD2 ASP A 83 6.199 -8.661 9.034 1.00 6.82 O ATOM 0 H ASP A 83 8.555 -8.555 6.093 1.00 3.97 H new ATOM 0 HA ASP A 83 9.244 -6.502 8.095 1.00 4.69 H new ATOM 0 HB2 ASP A 83 8.525 -9.455 8.250 1.00 5.64 H new ATOM 0 HB3 ASP A 83 8.924 -8.486 9.654 1.00 5.64 H new ATOM 1381 N SER A 84 11.728 -7.214 7.287 1.00 3.92 N ATOM 1382 CA SER A 84 13.174 -7.550 7.358 1.00 4.33 C ATOM 1383 C SER A 84 13.592 -7.710 8.820 1.00 5.33 C ATOM 1384 O SER A 84 14.482 -8.470 9.144 1.00 6.00 O ATOM 1385 CB SER A 84 13.973 -6.428 6.698 1.00 4.14 C ATOM 1386 OG SER A 84 15.339 -6.528 7.078 1.00 4.59 O ATOM 0 H SER A 84 11.503 -6.392 6.726 1.00 3.92 H new ATOM 0 HA SER A 84 13.367 -8.487 6.836 1.00 4.33 H new ATOM 0 HB2 SER A 84 13.881 -6.492 5.614 1.00 4.14 H new ATOM 0 HB3 SER A 84 13.572 -5.459 6.995 1.00 4.14 H new ATOM 0 HG SER A 84 15.850 -5.808 6.653 1.00 4.59 H new ATOM 1392 N TYR A 85 12.952 -7.008 9.710 1.00 5.76 N ATOM 1393 CA TYR A 85 13.307 -7.130 11.150 1.00 6.92 C ATOM 1394 C TYR A 85 12.990 -8.552 11.623 1.00 7.49 C ATOM 1395 O TYR A 85 13.501 -9.015 12.623 1.00 8.23 O ATOM 1396 CB TYR A 85 12.492 -6.117 11.959 1.00 7.50 C ATOM 1397 CG TYR A 85 13.019 -6.063 13.373 1.00 8.21 C ATOM 1398 CD1 TYR A 85 14.047 -5.171 13.699 1.00 8.68 C ATOM 1399 CD2 TYR A 85 12.484 -6.906 14.353 1.00 8.68 C ATOM 1400 CE1 TYR A 85 14.540 -5.120 15.008 1.00 9.56 C ATOM 1401 CE2 TYR A 85 12.978 -6.856 15.663 1.00 9.57 C ATOM 1402 CZ TYR A 85 14.006 -5.962 15.990 1.00 9.97 C ATOM 1403 OH TYR A 85 14.493 -5.913 17.280 1.00 11.00 O ATOM 0 H TYR A 85 12.197 -6.354 9.503 1.00 5.76 H new ATOM 0 HA TYR A 85 14.369 -6.929 11.292 1.00 6.92 H new ATOM 0 HB2 TYR A 85 12.556 -5.131 11.498 1.00 7.50 H new ATOM 0 HB3 TYR A 85 11.439 -6.400 11.962 1.00 7.50 H new ATOM 0 HD1 TYR A 85 14.460 -4.522 12.941 1.00 8.68 H new ATOM 0 HD2 TYR A 85 11.691 -7.594 14.100 1.00 8.68 H new ATOM 0 HE1 TYR A 85 15.332 -4.431 15.260 1.00 9.56 H new ATOM 0 HE2 TYR A 85 12.567 -7.506 16.421 1.00 9.57 H new ATOM 0 HH TYR A 85 14.012 -6.561 17.836 1.00 11.00 H new ATOM 1413 N ASN A 86 12.135 -9.237 10.915 1.00 7.43 N ATOM 1414 CA ASN A 86 11.754 -10.624 11.314 1.00 8.27 C ATOM 1415 C ASN A 86 12.767 -11.639 10.788 1.00 8.09 C ATOM 1416 O ASN A 86 12.645 -12.827 11.013 1.00 8.83 O ATOM 1417 CB ASN A 86 10.387 -10.948 10.720 1.00 8.92 C ATOM 1418 CG ASN A 86 9.898 -12.296 11.254 1.00 9.54 C ATOM 1419 OD1 ASN A 86 9.973 -13.298 10.570 1.00 9.83 O ATOM 1420 ND2 ASN A 86 9.392 -12.364 12.456 1.00 10.00 N ATOM 0 H ASN A 86 11.679 -8.893 10.070 1.00 7.43 H new ATOM 0 HA ASN A 86 11.730 -10.681 12.402 1.00 8.27 H new ATOM 0 HB2 ASN A 86 9.674 -10.164 10.976 1.00 8.92 H new ATOM 0 HB3 ASN A 86 10.451 -10.978 9.632 1.00 8.92 H new ATOM 0 HD21 ASN A 86 9.060 -13.257 12.820 1.00 10.00 H new ATOM 0 HD22 ASN A 86 9.329 -11.524 13.031 1.00 10.00 H new ATOM 1427 N MET A 87 13.760 -11.187 10.086 1.00 7.32 N ATOM 1428 CA MET A 87 14.776 -12.135 9.542 1.00 7.47 C ATOM 1429 C MET A 87 15.627 -12.694 10.689 1.00 8.26 C ATOM 1430 O MET A 87 15.791 -12.071 11.718 1.00 8.47 O ATOM 1431 CB MET A 87 15.661 -11.410 8.516 1.00 6.75 C ATOM 1432 CG MET A 87 15.000 -11.418 7.132 1.00 6.65 C ATOM 1433 SD MET A 87 16.187 -10.826 5.899 1.00 7.12 S ATOM 1434 CE MET A 87 16.474 -9.199 6.633 1.00 7.20 C ATOM 0 H MET A 87 13.917 -10.204 9.862 1.00 7.32 H new ATOM 0 HA MET A 87 14.273 -12.965 9.045 1.00 7.47 H new ATOM 0 HB2 MET A 87 15.833 -10.383 8.837 1.00 6.75 H new ATOM 0 HB3 MET A 87 16.636 -11.894 8.462 1.00 6.75 H new ATOM 0 HG2 MET A 87 14.669 -12.425 6.880 1.00 6.65 H new ATOM 0 HG3 MET A 87 14.114 -10.783 7.136 1.00 6.65 H new ATOM 0 HE1 MET A 87 16.681 -8.476 5.844 1.00 7.20 H new ATOM 0 HE2 MET A 87 15.588 -8.888 7.187 1.00 7.20 H new ATOM 0 HE3 MET A 87 17.326 -9.251 7.311 1.00 7.20 H new ATOM 1444 N PHE A 88 16.148 -13.879 10.515 1.00 8.91 N ATOM 1445 CA PHE A 88 16.970 -14.516 11.587 1.00 9.87 C ATOM 1446 C PHE A 88 18.193 -13.655 11.916 1.00 10.04 C ATOM 1447 O PHE A 88 18.542 -13.478 13.066 1.00 10.49 O ATOM 1448 CB PHE A 88 17.447 -15.885 11.097 1.00 10.68 C ATOM 1449 CG PHE A 88 16.267 -16.820 10.975 1.00 10.96 C ATOM 1450 CD1 PHE A 88 15.538 -16.873 9.783 1.00 11.04 C ATOM 1451 CD2 PHE A 88 15.908 -17.640 12.053 1.00 11.40 C ATOM 1452 CE1 PHE A 88 14.448 -17.744 9.666 1.00 11.55 C ATOM 1453 CE2 PHE A 88 14.819 -18.511 11.936 1.00 11.89 C ATOM 1454 CZ PHE A 88 14.088 -18.563 10.743 1.00 11.97 C ATOM 0 H PHE A 88 16.039 -14.438 9.669 1.00 8.91 H new ATOM 0 HA PHE A 88 16.360 -14.619 12.484 1.00 9.87 H new ATOM 0 HB2 PHE A 88 17.945 -15.784 10.133 1.00 10.68 H new ATOM 0 HB3 PHE A 88 18.179 -16.296 11.792 1.00 10.68 H new ATOM 0 HD1 PHE A 88 15.816 -16.242 8.952 1.00 11.04 H new ATOM 0 HD2 PHE A 88 16.471 -17.600 12.974 1.00 11.40 H new ATOM 0 HE1 PHE A 88 13.885 -17.784 8.745 1.00 11.55 H new ATOM 0 HE2 PHE A 88 14.542 -19.144 12.766 1.00 11.89 H new ATOM 0 HZ PHE A 88 13.247 -19.235 10.654 1.00 11.97 H new ATOM 1464 N GLU A 89 18.856 -13.125 10.924 1.00 9.91 N ATOM 1465 CA GLU A 89 20.061 -12.291 11.203 1.00 10.34 C ATOM 1466 C GLU A 89 19.657 -11.040 11.988 1.00 10.29 C ATOM 1467 O GLU A 89 18.611 -10.465 11.765 1.00 10.13 O ATOM 1468 CB GLU A 89 20.726 -11.882 9.888 1.00 10.80 C ATOM 1469 CG GLU A 89 21.365 -13.111 9.239 1.00 11.18 C ATOM 1470 CD GLU A 89 22.043 -12.707 7.929 1.00 11.50 C ATOM 1471 OE1 GLU A 89 21.347 -12.600 6.933 1.00 11.95 O ATOM 1472 OE2 GLU A 89 23.247 -12.510 7.944 1.00 11.46 O ATOM 0 H GLU A 89 18.618 -13.232 9.938 1.00 9.91 H new ATOM 0 HA GLU A 89 20.767 -12.873 11.795 1.00 10.34 H new ATOM 0 HB2 GLU A 89 19.989 -11.444 9.215 1.00 10.80 H new ATOM 0 HB3 GLU A 89 21.483 -11.119 10.072 1.00 10.80 H new ATOM 0 HG2 GLU A 89 22.095 -13.554 9.916 1.00 11.18 H new ATOM 0 HG3 GLU A 89 20.606 -13.870 9.048 1.00 11.18 H new ATOM 1479 N ASN A 90 20.478 -10.622 12.917 1.00 10.66 N ATOM 1480 CA ASN A 90 20.143 -9.415 13.731 1.00 10.92 C ATOM 1481 C ASN A 90 21.423 -8.683 14.144 1.00 10.88 C ATOM 1482 O ASN A 90 22.482 -9.270 14.252 1.00 11.22 O ATOM 1483 CB ASN A 90 19.384 -9.850 14.987 1.00 11.73 C ATOM 1484 CG ASN A 90 18.993 -8.615 15.800 1.00 12.01 C ATOM 1485 OD1 ASN A 90 18.876 -7.532 15.263 1.00 12.15 O ATOM 1486 ND2 ASN A 90 18.786 -8.734 17.082 1.00 12.32 N ATOM 0 H ASN A 90 21.367 -11.065 13.147 1.00 10.66 H new ATOM 0 HA ASN A 90 19.526 -8.743 13.134 1.00 10.92 H new ATOM 0 HB2 ASN A 90 18.493 -10.413 14.710 1.00 11.73 H new ATOM 0 HB3 ASN A 90 20.005 -10.513 15.589 1.00 11.73 H new ATOM 0 HD21 ASN A 90 18.526 -7.917 17.635 1.00 12.32 H new ATOM 0 HD22 ASN A 90 18.884 -9.644 17.532 1.00 12.32 H new ATOM 1493 N GLY A 91 21.326 -7.403 14.384 1.00 10.70 N ATOM 1494 CA GLY A 91 22.524 -6.617 14.801 1.00 10.95 C ATOM 1495 C GLY A 91 23.312 -6.176 13.566 1.00 10.92 C ATOM 1496 O GLY A 91 23.573 -5.005 13.370 1.00 11.16 O ATOM 0 H GLY A 91 20.463 -6.864 14.309 1.00 10.70 H new ATOM 0 HA2 GLY A 91 22.215 -5.745 15.377 1.00 10.95 H new ATOM 0 HA3 GLY A 91 23.157 -7.220 15.451 1.00 10.95 H new ATOM 1500 N SER A 92 23.693 -7.102 12.732 1.00 10.86 N ATOM 1501 CA SER A 92 24.464 -6.734 11.514 1.00 11.09 C ATOM 1502 C SER A 92 24.500 -7.934 10.567 1.00 10.83 C ATOM 1503 O SER A 92 24.956 -9.001 10.925 1.00 11.37 O ATOM 1504 CB SER A 92 25.888 -6.349 11.912 1.00 11.62 C ATOM 1505 OG SER A 92 26.587 -5.881 10.767 1.00 11.80 O ATOM 0 H SER A 92 23.503 -8.098 12.842 1.00 10.86 H new ATOM 0 HA SER A 92 23.990 -5.888 11.016 1.00 11.09 H new ATOM 0 HB2 SER A 92 25.866 -5.576 12.680 1.00 11.62 H new ATOM 0 HB3 SER A 92 26.403 -7.209 12.340 1.00 11.62 H new ATOM 0 HG SER A 92 27.439 -5.485 11.044 1.00 11.80 H new ATOM 1511 N PHE A 93 24.021 -7.762 9.364 1.00 10.20 N ATOM 1512 CA PHE A 93 24.014 -8.882 8.374 1.00 10.20 C ATOM 1513 C PHE A 93 25.003 -8.578 7.248 1.00 10.57 C ATOM 1514 O PHE A 93 24.674 -7.921 6.280 1.00 10.63 O ATOM 1515 CB PHE A 93 22.605 -9.016 7.790 1.00 9.65 C ATOM 1516 CG PHE A 93 22.102 -7.654 7.375 1.00 9.86 C ATOM 1517 CD1 PHE A 93 21.633 -6.761 8.344 1.00 10.19 C ATOM 1518 CD2 PHE A 93 22.102 -7.283 6.024 1.00 10.01 C ATOM 1519 CE1 PHE A 93 21.163 -5.497 7.966 1.00 10.65 C ATOM 1520 CE2 PHE A 93 21.632 -6.020 5.645 1.00 10.47 C ATOM 1521 CZ PHE A 93 21.163 -5.127 6.616 1.00 10.78 C ATOM 0 H PHE A 93 23.630 -6.885 9.020 1.00 10.20 H new ATOM 0 HA PHE A 93 24.304 -9.811 8.866 1.00 10.20 H new ATOM 0 HB2 PHE A 93 22.618 -9.688 6.932 1.00 9.65 H new ATOM 0 HB3 PHE A 93 21.934 -9.454 8.528 1.00 9.65 H new ATOM 0 HD1 PHE A 93 21.633 -7.047 9.386 1.00 10.19 H new ATOM 0 HD2 PHE A 93 22.465 -7.971 5.275 1.00 10.01 H new ATOM 0 HE1 PHE A 93 20.801 -4.809 8.715 1.00 10.65 H new ATOM 0 HE2 PHE A 93 21.631 -5.734 4.603 1.00 10.47 H new ATOM 0 HZ PHE A 93 20.801 -4.152 6.323 1.00 10.78 H new ATOM 1531 N LEU A 94 26.211 -9.060 7.360 1.00 11.03 N ATOM 1532 CA LEU A 94 27.217 -8.811 6.290 1.00 11.62 C ATOM 1533 C LEU A 94 27.041 -9.863 5.193 1.00 11.71 C ATOM 1534 O LEU A 94 27.583 -9.741 4.112 1.00 11.98 O ATOM 1535 CB LEU A 94 28.634 -8.902 6.879 1.00 12.28 C ATOM 1536 CG LEU A 94 29.012 -7.578 7.555 1.00 12.70 C ATOM 1537 CD1 LEU A 94 28.151 -7.365 8.803 1.00 13.06 C ATOM 1538 CD2 LEU A 94 30.489 -7.618 7.959 1.00 13.12 C ATOM 0 H LEU A 94 26.544 -9.616 8.147 1.00 11.03 H new ATOM 0 HA LEU A 94 27.074 -7.815 5.871 1.00 11.62 H new ATOM 0 HB2 LEU A 94 28.683 -9.716 7.603 1.00 12.28 H new ATOM 0 HB3 LEU A 94 29.350 -9.133 6.090 1.00 12.28 H new ATOM 0 HG LEU A 94 28.842 -6.758 6.857 1.00 12.70 H new ATOM 0 HD11 LEU A 94 28.425 -6.423 9.278 1.00 13.06 H new ATOM 0 HD12 LEU A 94 27.099 -7.336 8.519 1.00 13.06 H new ATOM 0 HD13 LEU A 94 28.315 -8.185 9.502 1.00 13.06 H new ATOM 0 HD21 LEU A 94 30.760 -6.678 8.440 1.00 13.12 H new ATOM 0 HD22 LEU A 94 30.654 -8.442 8.654 1.00 13.12 H new ATOM 0 HD23 LEU A 94 31.105 -7.763 7.072 1.00 13.12 H new TER 1550 LEU A 94