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 4 LYS NZ :NH3+ -124:sc= -0.0625 (180deg=0) USER MOD Set 1.2: A 44 ASN : amide:sc= -0.107 X(o=-0.17,f=-0.61!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 136:sc= -0.0565 (180deg=-0.56) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.388 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 74:sc= 0.426 USER MOD Single : A 15 MET CE :methyl 145:sc= 0 (180deg=-1.12) USER MOD Single : A 18 GLN : amide:sc= -1.02 X(o=-1,f=-1.3) USER MOD Single : A 19 ASN :FLIP amide:sc= -7.2! C(o=-15!,f=-7.2!) USER MOD Single : A 23 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0868) USER MOD Single : A 24 LYS NZ :NH3+ -130:sc= -1.59 (180deg=-4.53!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00147 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot -20:sc= -1.43! USER MOD Single : A 32 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.16) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.5) USER MOD Single : A 49 GLN : amide:sc= -1.11 X(o=-1.1,f=-0.79) USER MOD Single : A 50 ASN : amide:sc= -0.0954 X(o=-0.095,f=0) USER MOD Single : A 51 SER OG : rot -45:sc= 0.381 USER MOD Single : A 54 HIS : no HD1:sc= -2.42! C(o=-2.4!,f=-3.9!) USER MOD Single : A 55 ASN : amide:sc= -0.827 K(o=-0.83,f=-2!) USER MOD Single : A 57 SER OG : rot -50:sc= 0.146 USER MOD Single : A 59 ASN : amide:sc= -0.0623 K(o=-0.062,f=-0.61) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.062) USER MOD Single : A 70 LYS NZ :NH3+ 144:sc= -0.0981 (180deg=-0.752) USER MOD Single : A 71 LYS NZ :NH3+ -141:sc= -1.97 (180deg=-4.81!) USER MOD Single : A 74 LYS NZ :NH3+ -158:sc= -0.0965 (180deg=-0.693) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc=-0.00373 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN :FLIP amide:sc= -0.953 F(o=-2.3,f=-0.95) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= -0.0437 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.368 18.433 2.424 1.00 2.94 N ATOM 2 CA MET A 1 -23.639 17.851 1.262 1.00 2.23 C ATOM 3 C MET A 1 -22.396 17.105 1.755 1.00 1.94 C ATOM 4 O MET A 1 -21.697 17.562 2.637 1.00 2.16 O ATOM 5 CB MET A 1 -23.225 18.973 0.302 1.00 2.94 C ATOM 6 CG MET A 1 -22.201 19.890 0.979 1.00 3.46 C ATOM 7 SD MET A 1 -21.888 21.324 -0.081 1.00 4.49 S ATOM 8 CE MET A 1 -20.693 22.144 1.003 1.00 4.81 C ATOM 0 H1 MET A 1 -24.657 19.407 2.200 1.00 2.94 H new ATOM 0 H2 MET A 1 -25.212 17.860 2.627 1.00 2.94 H new ATOM 0 H3 MET A 1 -23.745 18.439 3.257 1.00 2.94 H new ATOM 0 HA MET A 1 -24.291 17.152 0.738 1.00 2.23 H new ATOM 0 HB2 MET A 1 -22.799 18.547 -0.607 1.00 2.94 H new ATOM 0 HB3 MET A 1 -24.101 19.549 0.004 1.00 2.94 H new ATOM 0 HG2 MET A 1 -22.574 20.216 1.950 1.00 3.46 H new ATOM 0 HG3 MET A 1 -21.273 19.347 1.159 1.00 3.46 H new ATOM 0 HE1 MET A 1 -20.357 23.071 0.539 1.00 4.81 H new ATOM 0 HE2 MET A 1 -21.164 22.367 1.961 1.00 4.81 H new ATOM 0 HE3 MET A 1 -19.837 21.488 1.163 1.00 4.81 H new ATOM 20 N LEU A 2 -22.116 15.959 1.191 1.00 1.58 N ATOM 21 CA LEU A 2 -20.918 15.173 1.618 1.00 1.33 C ATOM 22 C LEU A 2 -19.770 15.430 0.639 1.00 1.26 C ATOM 23 O LEU A 2 -19.975 15.529 -0.555 1.00 1.38 O ATOM 24 CB LEU A 2 -21.255 13.679 1.607 1.00 1.20 C ATOM 25 CG LEU A 2 -22.414 13.390 2.569 1.00 1.42 C ATOM 26 CD1 LEU A 2 -22.856 11.932 2.403 1.00 1.51 C ATOM 27 CD2 LEU A 2 -21.973 13.629 4.022 1.00 1.71 C ATOM 0 H LEU A 2 -22.669 15.530 0.448 1.00 1.58 H new ATOM 0 HA LEU A 2 -20.626 15.477 2.623 1.00 1.33 H new ATOM 0 HB2 LEU A 2 -21.524 13.367 0.598 1.00 1.20 H new ATOM 0 HB3 LEU A 2 -20.379 13.099 1.897 1.00 1.20 H new ATOM 0 HG LEU A 2 -23.244 14.058 2.338 1.00 1.42 H new ATOM 0 HD11 LEU A 2 -23.680 11.722 3.085 1.00 1.51 H new ATOM 0 HD12 LEU A 2 -23.183 11.766 1.377 1.00 1.51 H new ATOM 0 HD13 LEU A 2 -22.020 11.270 2.629 1.00 1.51 H new ATOM 0 HD21 LEU A 2 -22.805 13.420 4.694 1.00 1.71 H new ATOM 0 HD22 LEU A 2 -21.139 12.970 4.262 1.00 1.71 H new ATOM 0 HD23 LEU A 2 -21.662 14.667 4.142 1.00 1.71 H new ATOM 39 N VAL A 3 -18.563 15.539 1.137 1.00 1.21 N ATOM 40 CA VAL A 3 -17.385 15.789 0.247 1.00 1.22 C ATOM 41 C VAL A 3 -16.267 14.793 0.571 1.00 0.99 C ATOM 42 O VAL A 3 -16.197 14.255 1.658 1.00 0.93 O ATOM 43 CB VAL A 3 -16.875 17.214 0.474 1.00 1.52 C ATOM 44 CG1 VAL A 3 -17.922 18.217 -0.014 1.00 1.79 C ATOM 45 CG2 VAL A 3 -16.627 17.435 1.969 1.00 1.68 C ATOM 0 H VAL A 3 -18.341 15.465 2.130 1.00 1.21 H new ATOM 0 HA VAL A 3 -17.686 15.665 -0.793 1.00 1.22 H new ATOM 0 HB VAL A 3 -15.946 17.356 -0.078 1.00 1.52 H new ATOM 0 HG11 VAL A 3 -17.558 19.231 0.148 1.00 1.79 H new ATOM 0 HG12 VAL A 3 -18.105 18.063 -1.077 1.00 1.79 H new ATOM 0 HG13 VAL A 3 -18.850 18.072 0.539 1.00 1.79 H new ATOM 0 HG21 VAL A 3 -16.264 18.450 2.131 1.00 1.68 H new ATOM 0 HG22 VAL A 3 -17.558 17.291 2.517 1.00 1.68 H new ATOM 0 HG23 VAL A 3 -15.883 16.722 2.324 1.00 1.68 H new ATOM 55 N LYS A 4 -15.386 14.555 -0.363 1.00 0.99 N ATOM 56 CA LYS A 4 -14.263 13.606 -0.113 1.00 0.86 C ATOM 57 C LYS A 4 -13.178 14.322 0.703 1.00 0.78 C ATOM 58 O LYS A 4 -13.036 15.526 0.619 1.00 0.97 O ATOM 59 CB LYS A 4 -13.676 13.145 -1.454 1.00 1.03 C ATOM 60 CG LYS A 4 -14.534 12.025 -2.046 1.00 1.55 C ATOM 61 CD LYS A 4 -15.977 12.505 -2.208 1.00 2.26 C ATOM 62 CE LYS A 4 -16.742 11.532 -3.109 1.00 2.96 C ATOM 63 NZ LYS A 4 -18.206 11.759 -2.958 1.00 3.69 N ATOM 0 H LYS A 4 -15.396 14.978 -1.291 1.00 0.99 H new ATOM 0 HA LYS A 4 -14.627 12.739 0.438 1.00 0.86 H new ATOM 0 HB2 LYS A 4 -13.631 13.984 -2.148 1.00 1.03 H new ATOM 0 HB3 LYS A 4 -12.654 12.794 -1.311 1.00 1.03 H new ATOM 0 HG2 LYS A 4 -14.133 11.720 -3.012 1.00 1.55 H new ATOM 0 HG3 LYS A 4 -14.503 11.150 -1.397 1.00 1.55 H new ATOM 0 HD2 LYS A 4 -16.461 12.571 -1.233 1.00 2.26 H new ATOM 0 HD3 LYS A 4 -15.992 13.506 -2.640 1.00 2.26 H new ATOM 0 HE2 LYS A 4 -16.447 11.674 -4.149 1.00 2.96 H new ATOM 0 HE3 LYS A 4 -16.494 10.504 -2.845 1.00 2.96 H new ATOM 0 HZ1 LYS A 4 -18.668 10.870 -2.680 1.00 3.69 H new ATOM 0 HZ2 LYS A 4 -18.372 12.479 -2.226 1.00 3.69 H new ATOM 0 HZ3 LYS A 4 -18.602 12.087 -3.862 1.00 3.69 H new ATOM 77 N PRO A 5 -12.414 13.598 1.481 1.00 0.59 N ATOM 78 CA PRO A 5 -11.328 14.198 2.309 1.00 0.58 C ATOM 79 C PRO A 5 -10.138 14.649 1.446 1.00 0.56 C ATOM 80 O PRO A 5 -9.982 14.211 0.324 1.00 0.67 O ATOM 81 CB PRO A 5 -10.932 13.064 3.258 1.00 0.62 C ATOM 82 CG PRO A 5 -11.245 11.818 2.500 1.00 0.73 C ATOM 83 CD PRO A 5 -12.487 12.137 1.663 1.00 0.58 C ATOM 0 HA PRO A 5 -11.650 15.097 2.834 1.00 0.58 H new ATOM 0 HB2 PRO A 5 -9.875 13.115 3.519 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -11.493 13.113 4.191 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -10.409 11.528 1.864 1.00 0.73 H new ATOM 0 HG3 PRO A 5 -11.434 10.985 3.178 1.00 0.73 H new ATOM 0 HD2 PRO A 5 -12.473 11.612 0.708 1.00 0.58 H new ATOM 0 HD3 PRO A 5 -13.403 11.842 2.175 1.00 0.58 H new ATOM 91 N PRO A 6 -9.315 15.530 1.958 1.00 0.55 N ATOM 92 CA PRO A 6 -8.132 16.060 1.213 1.00 0.57 C ATOM 93 C PRO A 6 -6.971 15.059 1.101 1.00 0.51 C ATOM 94 O PRO A 6 -5.844 15.448 0.867 1.00 0.70 O ATOM 95 CB PRO A 6 -7.714 17.279 2.046 1.00 0.67 C ATOM 96 CG PRO A 6 -8.130 16.941 3.439 1.00 0.84 C ATOM 97 CD PRO A 6 -9.419 16.126 3.303 1.00 0.68 C ATOM 0 HA PRO A 6 -8.385 16.286 0.177 1.00 0.57 H new ATOM 0 HB2 PRO A 6 -6.640 17.453 1.984 1.00 0.67 H new ATOM 0 HB3 PRO A 6 -8.204 18.187 1.695 1.00 0.67 H new ATOM 0 HG2 PRO A 6 -7.357 16.367 3.950 1.00 0.84 H new ATOM 0 HG3 PRO A 6 -8.298 17.843 4.027 1.00 0.84 H new ATOM 0 HD2 PRO A 6 -9.492 15.361 4.076 1.00 0.68 H new ATOM 0 HD3 PRO A 6 -10.303 16.757 3.394 1.00 0.68 H new ATOM 105 N TYR A 7 -7.218 13.782 1.253 1.00 0.42 N ATOM 106 CA TYR A 7 -6.104 12.792 1.140 1.00 0.36 C ATOM 107 C TYR A 7 -6.077 12.228 -0.280 1.00 0.34 C ATOM 108 O TYR A 7 -7.101 11.917 -0.855 1.00 0.36 O ATOM 109 CB TYR A 7 -6.327 11.634 2.119 1.00 0.34 C ATOM 110 CG TYR A 7 -6.535 12.170 3.519 1.00 0.37 C ATOM 111 CD1 TYR A 7 -5.547 12.950 4.131 1.00 1.10 C ATOM 112 CD2 TYR A 7 -7.725 11.888 4.204 1.00 1.12 C ATOM 113 CE1 TYR A 7 -5.748 13.447 5.425 1.00 1.11 C ATOM 114 CE2 TYR A 7 -7.927 12.385 5.496 1.00 1.15 C ATOM 115 CZ TYR A 7 -6.938 13.165 6.107 1.00 0.47 C ATOM 116 OH TYR A 7 -7.134 13.656 7.382 1.00 0.54 O ATOM 0 H TYR A 7 -8.137 13.384 1.449 1.00 0.42 H new ATOM 0 HA TYR A 7 -5.163 13.290 1.372 1.00 0.36 H new ATOM 0 HB2 TYR A 7 -7.195 11.050 1.812 1.00 0.34 H new ATOM 0 HB3 TYR A 7 -5.469 10.963 2.102 1.00 0.34 H new ATOM 0 HD1 TYR A 7 -4.629 13.169 3.605 1.00 1.10 H new ATOM 0 HD2 TYR A 7 -8.488 11.286 3.733 1.00 1.12 H new ATOM 0 HE1 TYR A 7 -4.985 14.048 5.897 1.00 1.11 H new ATOM 0 HE2 TYR A 7 -8.845 12.167 6.022 1.00 1.15 H new ATOM 0 HH TYR A 7 -8.011 13.369 7.712 1.00 0.54 H new ATOM 126 N SER A 8 -4.911 12.085 -0.848 1.00 0.35 N ATOM 127 CA SER A 8 -4.820 11.529 -2.226 1.00 0.38 C ATOM 128 C SER A 8 -5.106 10.028 -2.168 1.00 0.32 C ATOM 129 O SER A 8 -5.103 9.430 -1.111 1.00 0.30 O ATOM 130 CB SER A 8 -3.417 11.764 -2.785 1.00 0.46 C ATOM 131 OG SER A 8 -2.473 11.041 -2.005 1.00 1.39 O ATOM 0 H SER A 8 -4.019 12.329 -0.418 1.00 0.35 H new ATOM 0 HA SER A 8 -5.546 12.021 -2.874 1.00 0.38 H new ATOM 0 HB2 SER A 8 -3.369 11.442 -3.825 1.00 0.46 H new ATOM 0 HB3 SER A 8 -3.180 12.828 -2.769 1.00 0.46 H new ATOM 0 HG SER A 8 -1.572 11.188 -2.362 1.00 1.39 H new ATOM 137 N TYR A 9 -5.356 9.414 -3.289 1.00 0.34 N ATOM 138 CA TYR A 9 -5.644 7.953 -3.278 1.00 0.34 C ATOM 139 C TYR A 9 -4.441 7.208 -2.697 1.00 0.35 C ATOM 140 O TYR A 9 -4.585 6.266 -1.944 1.00 0.36 O ATOM 141 CB TYR A 9 -5.908 7.467 -4.704 1.00 0.39 C ATOM 142 CG TYR A 9 -7.231 8.015 -5.180 1.00 0.39 C ATOM 143 CD1 TYR A 9 -8.416 7.325 -4.900 1.00 1.32 C ATOM 144 CD2 TYR A 9 -7.273 9.218 -5.896 1.00 1.21 C ATOM 145 CE1 TYR A 9 -9.644 7.837 -5.338 1.00 1.32 C ATOM 146 CE2 TYR A 9 -8.500 9.730 -6.332 1.00 1.23 C ATOM 147 CZ TYR A 9 -9.686 9.040 -6.053 1.00 0.44 C ATOM 148 OH TYR A 9 -10.896 9.544 -6.485 1.00 0.50 O ATOM 0 H TYR A 9 -5.374 9.857 -4.208 1.00 0.34 H new ATOM 0 HA TYR A 9 -6.526 7.760 -2.667 1.00 0.34 H new ATOM 0 HB2 TYR A 9 -5.106 7.794 -5.366 1.00 0.39 H new ATOM 0 HB3 TYR A 9 -5.921 6.377 -4.733 1.00 0.39 H new ATOM 0 HD1 TYR A 9 -8.384 6.398 -4.346 1.00 1.32 H new ATOM 0 HD2 TYR A 9 -6.358 9.750 -6.112 1.00 1.21 H new ATOM 0 HE1 TYR A 9 -10.559 7.304 -5.124 1.00 1.32 H new ATOM 0 HE2 TYR A 9 -8.532 10.658 -6.884 1.00 1.23 H new ATOM 0 HH TYR A 9 -10.747 10.386 -6.964 1.00 0.50 H new ATOM 158 N ILE A 10 -3.255 7.625 -3.042 1.00 0.38 N ATOM 159 CA ILE A 10 -2.041 6.944 -2.513 1.00 0.42 C ATOM 160 C ILE A 10 -1.918 7.206 -1.008 1.00 0.38 C ATOM 161 O ILE A 10 -1.567 6.327 -0.246 1.00 0.39 O ATOM 162 CB ILE A 10 -0.807 7.480 -3.242 1.00 0.50 C ATOM 163 CG1 ILE A 10 -0.880 7.068 -4.715 1.00 0.61 C ATOM 164 CG2 ILE A 10 0.457 6.896 -2.608 1.00 0.51 C ATOM 165 CD1 ILE A 10 0.204 7.796 -5.511 1.00 0.96 C ATOM 0 H ILE A 10 -3.074 8.409 -3.668 1.00 0.38 H new ATOM 0 HA ILE A 10 -2.119 5.869 -2.678 1.00 0.42 H new ATOM 0 HB ILE A 10 -0.777 8.567 -3.165 1.00 0.50 H new ATOM 0 HG12 ILE A 10 -0.750 5.990 -4.807 1.00 0.61 H new ATOM 0 HG13 ILE A 10 -1.863 7.306 -5.120 1.00 0.61 H new ATOM 0 HG21 ILE A 10 1.335 7.279 -3.128 1.00 0.51 H new ATOM 0 HG22 ILE A 10 0.503 7.184 -1.558 1.00 0.51 H new ATOM 0 HG23 ILE A 10 0.434 5.809 -2.686 1.00 0.51 H new ATOM 0 HD11 ILE A 10 0.148 7.499 -6.558 1.00 0.96 H new ATOM 0 HD12 ILE A 10 0.054 8.873 -5.430 1.00 0.96 H new ATOM 0 HD13 ILE A 10 1.185 7.536 -5.113 1.00 0.96 H new ATOM 177 N ALA A 11 -2.209 8.401 -0.569 1.00 0.36 N ATOM 178 CA ALA A 11 -2.109 8.698 0.889 1.00 0.36 C ATOM 179 C ALA A 11 -3.099 7.822 1.658 1.00 0.32 C ATOM 180 O ALA A 11 -2.783 7.285 2.700 1.00 0.32 O ATOM 181 CB ALA A 11 -2.438 10.175 1.139 1.00 0.38 C ATOM 0 H ALA A 11 -2.510 9.181 -1.153 1.00 0.36 H new ATOM 0 HA ALA A 11 -1.095 8.489 1.229 1.00 0.36 H new ATOM 0 HB1 ALA A 11 -2.364 10.389 2.205 1.00 0.38 H new ATOM 0 HB2 ALA A 11 -1.733 10.802 0.593 1.00 0.38 H new ATOM 0 HB3 ALA A 11 -3.451 10.385 0.796 1.00 0.38 H new ATOM 187 N LEU A 12 -4.291 7.666 1.152 1.00 0.32 N ATOM 188 CA LEU A 12 -5.285 6.813 1.861 1.00 0.31 C ATOM 189 C LEU A 12 -4.729 5.393 1.955 1.00 0.30 C ATOM 190 O LEU A 12 -4.865 4.724 2.960 1.00 0.32 O ATOM 191 CB LEU A 12 -6.597 6.791 1.074 1.00 0.33 C ATOM 192 CG LEU A 12 -7.276 8.166 1.144 1.00 0.34 C ATOM 193 CD1 LEU A 12 -8.463 8.192 0.175 1.00 0.37 C ATOM 194 CD2 LEU A 12 -7.767 8.455 2.575 1.00 0.36 C ATOM 0 H LEU A 12 -4.618 8.089 0.284 1.00 0.32 H new ATOM 0 HA LEU A 12 -5.472 7.211 2.858 1.00 0.31 H new ATOM 0 HB2 LEU A 12 -6.403 6.525 0.035 1.00 0.33 H new ATOM 0 HB3 LEU A 12 -7.261 6.028 1.480 1.00 0.33 H new ATOM 0 HG LEU A 12 -6.553 8.933 0.865 1.00 0.34 H new ATOM 0 HD11 LEU A 12 -8.949 9.167 0.221 1.00 0.37 H new ATOM 0 HD12 LEU A 12 -8.108 8.011 -0.840 1.00 0.37 H new ATOM 0 HD13 LEU A 12 -9.177 7.417 0.454 1.00 0.37 H new ATOM 0 HD21 LEU A 12 -8.245 9.434 2.605 1.00 0.36 H new ATOM 0 HD22 LEU A 12 -8.485 7.691 2.875 1.00 0.36 H new ATOM 0 HD23 LEU A 12 -6.919 8.445 3.260 1.00 0.36 H new ATOM 206 N ILE A 13 -4.098 4.934 0.910 1.00 0.31 N ATOM 207 CA ILE A 13 -3.525 3.562 0.931 1.00 0.32 C ATOM 208 C ILE A 13 -2.327 3.516 1.882 1.00 0.29 C ATOM 209 O ILE A 13 -2.157 2.577 2.632 1.00 0.30 O ATOM 210 CB ILE A 13 -3.064 3.188 -0.479 1.00 0.37 C ATOM 211 CG1 ILE A 13 -4.282 3.085 -1.402 1.00 0.42 C ATOM 212 CG2 ILE A 13 -2.331 1.846 -0.441 1.00 0.40 C ATOM 213 CD1 ILE A 13 -3.817 2.953 -2.854 1.00 0.49 C ATOM 0 H ILE A 13 -3.955 5.451 0.043 1.00 0.31 H new ATOM 0 HA ILE A 13 -4.284 2.858 1.272 1.00 0.32 H new ATOM 0 HB ILE A 13 -2.388 3.955 -0.856 1.00 0.37 H new ATOM 0 HG12 ILE A 13 -4.889 2.223 -1.124 1.00 0.42 H new ATOM 0 HG13 ILE A 13 -4.911 3.968 -1.290 1.00 0.42 H new ATOM 0 HG21 ILE A 13 -2.004 1.582 -1.446 1.00 0.40 H new ATOM 0 HG22 ILE A 13 -1.464 1.924 0.214 1.00 0.40 H new ATOM 0 HG23 ILE A 13 -3.003 1.075 -0.064 1.00 0.40 H new ATOM 0 HD11 ILE A 13 -4.685 2.880 -3.509 1.00 0.49 H new ATOM 0 HD12 ILE A 13 -3.228 3.828 -3.128 1.00 0.49 H new ATOM 0 HD13 ILE A 13 -3.206 2.057 -2.960 1.00 0.49 H new ATOM 225 N THR A 14 -1.490 4.517 1.854 1.00 0.29 N ATOM 226 CA THR A 14 -0.303 4.511 2.752 1.00 0.31 C ATOM 227 C THR A 14 -0.758 4.594 4.211 1.00 0.32 C ATOM 228 O THR A 14 -0.229 3.921 5.074 1.00 0.34 O ATOM 229 CB THR A 14 0.596 5.703 2.421 1.00 0.35 C ATOM 230 OG1 THR A 14 1.024 5.611 1.070 1.00 0.37 O ATOM 231 CG2 THR A 14 1.819 5.705 3.341 1.00 0.39 C ATOM 0 H THR A 14 -1.577 5.335 1.251 1.00 0.29 H new ATOM 0 HA THR A 14 0.256 3.587 2.605 1.00 0.31 H new ATOM 0 HB THR A 14 0.035 6.626 2.567 1.00 0.35 H new ATOM 0 HG1 THR A 14 0.279 5.836 0.475 1.00 0.37 H new ATOM 0 HG21 THR A 14 2.455 6.557 3.099 1.00 0.39 H new ATOM 0 HG22 THR A 14 1.494 5.778 4.379 1.00 0.39 H new ATOM 0 HG23 THR A 14 2.381 4.782 3.201 1.00 0.39 H new ATOM 239 N MET A 15 -1.737 5.409 4.495 1.00 0.33 N ATOM 240 CA MET A 15 -2.226 5.527 5.899 1.00 0.37 C ATOM 241 C MET A 15 -2.953 4.245 6.306 1.00 0.34 C ATOM 242 O MET A 15 -2.920 3.835 7.449 1.00 0.36 O ATOM 243 CB MET A 15 -3.179 6.720 6.028 1.00 0.44 C ATOM 244 CG MET A 15 -2.394 8.031 5.922 1.00 0.49 C ATOM 245 SD MET A 15 -3.433 9.410 6.473 1.00 0.67 S ATOM 246 CE MET A 15 -4.297 9.709 4.912 1.00 1.14 C ATOM 0 H MET A 15 -2.219 5.998 3.816 1.00 0.33 H new ATOM 0 HA MET A 15 -1.370 5.682 6.556 1.00 0.37 H new ATOM 0 HB2 MET A 15 -3.937 6.676 5.246 1.00 0.44 H new ATOM 0 HB3 MET A 15 -3.703 6.676 6.983 1.00 0.44 H new ATOM 0 HG2 MET A 15 -1.492 7.976 6.531 1.00 0.49 H new ATOM 0 HG3 MET A 15 -2.074 8.193 4.893 1.00 0.49 H new ATOM 0 HE1 MET A 15 -5.323 10.016 5.117 1.00 1.14 H new ATOM 0 HE2 MET A 15 -3.786 10.497 4.359 1.00 1.14 H new ATOM 0 HE3 MET A 15 -4.303 8.795 4.319 1.00 1.14 H new ATOM 256 N ALA A 16 -3.622 3.621 5.380 1.00 0.32 N ATOM 257 CA ALA A 16 -4.371 2.374 5.706 1.00 0.31 C ATOM 258 C ALA A 16 -3.401 1.308 6.231 1.00 0.29 C ATOM 259 O ALA A 16 -3.649 0.650 7.224 1.00 0.31 O ATOM 260 CB ALA A 16 -5.050 1.864 4.431 1.00 0.31 C ATOM 0 H ALA A 16 -3.684 3.921 4.407 1.00 0.32 H new ATOM 0 HA ALA A 16 -5.118 2.581 6.472 1.00 0.31 H new ATOM 0 HB1 ALA A 16 -5.603 0.951 4.653 1.00 0.31 H new ATOM 0 HB2 ALA A 16 -5.738 2.622 4.057 1.00 0.31 H new ATOM 0 HB3 ALA A 16 -4.294 1.655 3.675 1.00 0.31 H new ATOM 266 N ILE A 17 -2.302 1.126 5.564 1.00 0.27 N ATOM 267 CA ILE A 17 -1.320 0.098 6.008 1.00 0.28 C ATOM 268 C ILE A 17 -0.798 0.448 7.403 1.00 0.30 C ATOM 269 O ILE A 17 -0.670 -0.395 8.267 1.00 0.33 O ATOM 270 CB ILE A 17 -0.141 0.096 5.036 1.00 0.29 C ATOM 271 CG1 ILE A 17 -0.650 -0.167 3.619 1.00 0.29 C ATOM 272 CG2 ILE A 17 0.839 -1.009 5.433 1.00 0.33 C ATOM 273 CD1 ILE A 17 0.462 0.136 2.613 1.00 0.32 C ATOM 0 H ILE A 17 -2.037 1.645 4.727 1.00 0.27 H new ATOM 0 HA ILE A 17 -1.803 -0.879 6.032 1.00 0.28 H new ATOM 0 HB ILE A 17 0.361 1.063 5.070 1.00 0.29 H new ATOM 0 HG12 ILE A 17 -0.969 -1.205 3.523 1.00 0.29 H new ATOM 0 HG13 ILE A 17 -1.521 0.455 3.413 1.00 0.29 H new ATOM 0 HG21 ILE A 17 1.682 -1.014 4.742 1.00 0.33 H new ATOM 0 HG22 ILE A 17 1.201 -0.828 6.445 1.00 0.33 H new ATOM 0 HG23 ILE A 17 0.334 -1.974 5.396 1.00 0.33 H new ATOM 0 HD11 ILE A 17 0.099 -0.051 1.602 1.00 0.32 H new ATOM 0 HD12 ILE A 17 0.760 1.181 2.704 1.00 0.32 H new ATOM 0 HD13 ILE A 17 1.320 -0.505 2.815 1.00 0.32 H new ATOM 285 N GLN A 18 -0.459 1.689 7.600 1.00 0.32 N ATOM 286 CA GLN A 18 0.106 2.131 8.911 1.00 0.36 C ATOM 287 C GLN A 18 -0.893 1.956 10.060 1.00 0.36 C ATOM 288 O GLN A 18 -0.532 1.526 11.136 1.00 0.38 O ATOM 289 CB GLN A 18 0.482 3.608 8.808 1.00 0.44 C ATOM 290 CG GLN A 18 1.630 3.763 7.812 1.00 0.51 C ATOM 291 CD GLN A 18 1.988 5.243 7.670 1.00 1.09 C ATOM 292 OE1 GLN A 18 1.805 6.016 8.589 1.00 1.76 O ATOM 293 NE2 GLN A 18 2.501 5.672 6.549 1.00 1.82 N ATOM 0 H GLN A 18 -0.549 2.428 6.902 1.00 0.32 H new ATOM 0 HA GLN A 18 0.977 1.512 9.128 1.00 0.36 H new ATOM 0 HB2 GLN A 18 -0.379 4.193 8.484 1.00 0.44 H new ATOM 0 HB3 GLN A 18 0.778 3.990 9.785 1.00 0.44 H new ATOM 0 HG2 GLN A 18 2.499 3.199 8.152 1.00 0.51 H new ATOM 0 HG3 GLN A 18 1.343 3.353 6.844 1.00 0.51 H new ATOM 0 HE21 GLN A 18 2.655 5.023 5.777 1.00 1.82 H new ATOM 0 HE22 GLN A 18 2.748 6.656 6.445 1.00 1.82 H new ATOM 302 N ASN A 19 -2.137 2.305 9.864 1.00 0.37 N ATOM 303 CA ASN A 19 -3.127 2.173 10.977 1.00 0.42 C ATOM 304 C ASN A 19 -3.782 0.789 10.937 1.00 0.43 C ATOM 305 O ASN A 19 -4.743 0.529 11.632 1.00 0.58 O ATOM 306 CB ASN A 19 -4.194 3.266 10.850 1.00 0.51 C ATOM 307 CG ASN A 19 -5.086 2.975 9.646 1.00 0.84 C ATOM 308 OD1 ASN A 19 -4.704 2.081 8.782 1.00 1.67 O flip ATOM 309 ND2 ASN A 19 -6.132 3.572 9.490 1.00 1.28 N flip ATOM 0 H ASN A 19 -2.510 2.673 8.989 1.00 0.37 H new ATOM 0 HA ASN A 19 -2.611 2.287 11.930 1.00 0.42 H new ATOM 0 HB2 ASN A 19 -4.795 3.309 11.758 1.00 0.51 H new ATOM 0 HB3 ASN A 19 -3.719 4.240 10.736 1.00 0.51 H new ATOM 0 HD21 ASN A 19 -6.426 4.272 10.171 1.00 1.28 H new ATOM 0 HD22 ASN A 19 -6.716 3.373 8.678 1.00 1.28 H new ATOM 316 N ALA A 20 -3.269 -0.103 10.133 1.00 0.39 N ATOM 317 CA ALA A 20 -3.866 -1.466 10.059 1.00 0.47 C ATOM 318 C ALA A 20 -3.429 -2.268 11.293 1.00 0.53 C ATOM 319 O ALA A 20 -2.360 -2.040 11.824 1.00 0.63 O ATOM 320 CB ALA A 20 -3.347 -2.165 8.797 1.00 0.49 C ATOM 0 H ALA A 20 -2.464 0.053 9.526 1.00 0.39 H new ATOM 0 HA ALA A 20 -4.953 -1.399 10.027 1.00 0.47 H new ATOM 0 HB1 ALA A 20 -3.777 -3.164 8.732 1.00 0.49 H new ATOM 0 HB2 ALA A 20 -3.634 -1.588 7.918 1.00 0.49 H new ATOM 0 HB3 ALA A 20 -2.261 -2.240 8.843 1.00 0.49 H new ATOM 326 N PRO A 21 -4.229 -3.203 11.754 1.00 0.71 N ATOM 327 CA PRO A 21 -3.869 -4.027 12.946 1.00 0.87 C ATOM 328 C PRO A 21 -2.544 -4.752 12.706 1.00 0.80 C ATOM 329 O PRO A 21 -1.822 -5.091 13.623 1.00 1.04 O ATOM 330 CB PRO A 21 -5.037 -5.022 13.091 1.00 1.10 C ATOM 331 CG PRO A 21 -5.744 -4.996 11.772 1.00 1.29 C ATOM 332 CD PRO A 21 -5.542 -3.590 11.211 1.00 0.94 C ATOM 0 HA PRO A 21 -3.730 -3.432 13.849 1.00 0.87 H new ATOM 0 HB2 PRO A 21 -4.674 -6.023 13.323 1.00 1.10 H new ATOM 0 HB3 PRO A 21 -5.705 -4.729 13.901 1.00 1.10 H new ATOM 0 HG2 PRO A 21 -5.336 -5.748 11.096 1.00 1.29 H new ATOM 0 HG3 PRO A 21 -6.804 -5.219 11.894 1.00 1.29 H new ATOM 0 HD2 PRO A 21 -5.545 -3.586 10.121 1.00 0.94 H new ATOM 0 HD3 PRO A 21 -6.329 -2.909 11.535 1.00 0.94 H new ATOM 340 N GLU A 22 -2.225 -4.968 11.461 1.00 0.72 N ATOM 341 CA GLU A 22 -0.950 -5.644 11.098 1.00 0.83 C ATOM 342 C GLU A 22 -0.379 -4.934 9.872 1.00 0.80 C ATOM 343 O GLU A 22 -1.111 -4.451 9.032 1.00 1.16 O ATOM 344 CB GLU A 22 -1.220 -7.113 10.765 1.00 0.98 C ATOM 345 CG GLU A 22 0.110 -7.857 10.629 1.00 1.51 C ATOM 346 CD GLU A 22 -0.160 -9.354 10.459 1.00 2.01 C ATOM 347 OE1 GLU A 22 -1.305 -9.747 10.600 1.00 2.63 O ATOM 348 OE2 GLU A 22 0.784 -10.079 10.193 1.00 2.51 O ATOM 0 H GLU A 22 -2.805 -4.700 10.666 1.00 0.72 H new ATOM 0 HA GLU A 22 -0.245 -5.600 11.928 1.00 0.83 H new ATOM 0 HB2 GLU A 22 -1.826 -7.569 11.548 1.00 0.98 H new ATOM 0 HB3 GLU A 22 -1.788 -7.189 9.838 1.00 0.98 H new ATOM 0 HG2 GLU A 22 0.666 -7.477 9.772 1.00 1.51 H new ATOM 0 HG3 GLU A 22 0.727 -7.685 11.511 1.00 1.51 H new ATOM 355 N LYS A 23 0.914 -4.853 9.759 1.00 0.66 N ATOM 356 CA LYS A 23 1.499 -4.158 8.582 1.00 0.68 C ATOM 357 C LYS A 23 1.041 -4.869 7.310 1.00 0.56 C ATOM 358 O LYS A 23 0.724 -4.239 6.321 1.00 0.59 O ATOM 359 CB LYS A 23 3.028 -4.176 8.675 1.00 0.84 C ATOM 360 CG LYS A 23 3.494 -3.439 9.938 1.00 0.96 C ATOM 361 CD LYS A 23 3.246 -1.930 9.807 1.00 0.79 C ATOM 362 CE LYS A 23 4.076 -1.180 10.852 1.00 1.23 C ATOM 363 NZ LYS A 23 3.607 -1.553 12.217 1.00 2.02 N ATOM 0 H LYS A 23 1.587 -5.234 10.424 1.00 0.66 H new ATOM 0 HA LYS A 23 1.164 -3.121 8.560 1.00 0.68 H new ATOM 0 HB2 LYS A 23 3.386 -5.205 8.694 1.00 0.84 H new ATOM 0 HB3 LYS A 23 3.458 -3.705 7.791 1.00 0.84 H new ATOM 0 HG2 LYS A 23 2.963 -3.826 10.808 1.00 0.96 H new ATOM 0 HG3 LYS A 23 4.555 -3.625 10.103 1.00 0.96 H new ATOM 0 HD2 LYS A 23 3.513 -1.593 8.805 1.00 0.79 H new ATOM 0 HD3 LYS A 23 2.187 -1.712 9.944 1.00 0.79 H new ATOM 0 HE2 LYS A 23 5.132 -1.426 10.738 1.00 1.23 H new ATOM 0 HE3 LYS A 23 3.981 -0.104 10.704 1.00 1.23 H new ATOM 0 HZ1 LYS A 23 4.035 -0.914 12.918 1.00 2.02 H new ATOM 0 HZ2 LYS A 23 2.571 -1.473 12.262 1.00 2.02 H new ATOM 0 HZ3 LYS A 23 3.888 -2.533 12.425 1.00 2.02 H new ATOM 377 N LYS A 24 0.985 -6.174 7.323 1.00 0.49 N ATOM 378 CA LYS A 24 0.525 -6.893 6.102 1.00 0.43 C ATOM 379 C LYS A 24 -1.001 -6.835 6.027 1.00 0.44 C ATOM 380 O LYS A 24 -1.694 -7.160 6.971 1.00 0.75 O ATOM 381 CB LYS A 24 0.951 -8.361 6.144 1.00 0.41 C ATOM 382 CG LYS A 24 2.464 -8.477 5.972 1.00 0.45 C ATOM 383 CD LYS A 24 2.853 -9.954 5.968 1.00 0.50 C ATOM 384 CE LYS A 24 4.368 -10.077 5.794 1.00 0.59 C ATOM 385 NZ LYS A 24 4.787 -9.322 4.578 1.00 1.55 N ATOM 0 H LYS A 24 1.234 -6.766 8.115 1.00 0.49 H new ATOM 0 HA LYS A 24 0.973 -6.414 5.232 1.00 0.43 H new ATOM 0 HB2 LYS A 24 0.650 -8.807 7.092 1.00 0.41 H new ATOM 0 HB3 LYS A 24 0.444 -8.917 5.355 1.00 0.41 H new ATOM 0 HG2 LYS A 24 2.774 -8.004 5.040 1.00 0.45 H new ATOM 0 HG3 LYS A 24 2.976 -7.955 6.781 1.00 0.45 H new ATOM 0 HD2 LYS A 24 2.543 -10.426 6.900 1.00 0.50 H new ATOM 0 HD3 LYS A 24 2.339 -10.475 5.160 1.00 0.50 H new ATOM 0 HE2 LYS A 24 4.880 -9.686 6.673 1.00 0.59 H new ATOM 0 HE3 LYS A 24 4.651 -11.125 5.701 1.00 0.59 H new ATOM 0 HZ1 LYS A 24 5.386 -9.929 3.982 1.00 1.55 H new ATOM 0 HZ2 LYS A 24 3.944 -9.033 4.041 1.00 1.55 H new ATOM 0 HZ3 LYS A 24 5.324 -8.477 4.862 1.00 1.55 H new ATOM 399 N ILE A 25 -1.527 -6.435 4.902 1.00 0.35 N ATOM 400 CA ILE A 25 -3.008 -6.365 4.742 1.00 0.34 C ATOM 401 C ILE A 25 -3.361 -6.667 3.285 1.00 0.31 C ATOM 402 O ILE A 25 -2.651 -6.291 2.374 1.00 0.33 O ATOM 403 CB ILE A 25 -3.510 -4.969 5.117 1.00 0.38 C ATOM 404 CG1 ILE A 25 -5.033 -4.927 4.969 1.00 0.39 C ATOM 405 CG2 ILE A 25 -2.876 -3.925 4.195 1.00 0.38 C ATOM 406 CD1 ILE A 25 -5.575 -3.629 5.571 1.00 0.47 C ATOM 0 H ILE A 25 -0.991 -6.152 4.081 1.00 0.35 H new ATOM 0 HA ILE A 25 -3.482 -7.095 5.398 1.00 0.34 H new ATOM 0 HB ILE A 25 -3.234 -4.748 6.148 1.00 0.38 H new ATOM 0 HG12 ILE A 25 -5.307 -4.993 3.916 1.00 0.39 H new ATOM 0 HG13 ILE A 25 -5.480 -5.786 5.470 1.00 0.39 H new ATOM 0 HG21 ILE A 25 -3.237 -2.933 4.466 1.00 0.38 H new ATOM 0 HG22 ILE A 25 -1.792 -3.958 4.300 1.00 0.38 H new ATOM 0 HG23 ILE A 25 -3.147 -4.140 3.161 1.00 0.38 H new ATOM 0 HD11 ILE A 25 -6.659 -3.603 5.464 1.00 0.47 H new ATOM 0 HD12 ILE A 25 -5.314 -3.581 6.628 1.00 0.47 H new ATOM 0 HD13 ILE A 25 -5.138 -2.776 5.051 1.00 0.47 H new ATOM 418 N THR A 26 -4.446 -7.354 3.057 1.00 0.30 N ATOM 419 CA THR A 26 -4.834 -7.688 1.658 1.00 0.31 C ATOM 420 C THR A 26 -5.512 -6.486 1.001 1.00 0.28 C ATOM 421 O THR A 26 -5.945 -5.560 1.660 1.00 0.27 O ATOM 422 CB THR A 26 -5.800 -8.875 1.667 1.00 0.37 C ATOM 423 OG1 THR A 26 -6.886 -8.590 2.537 1.00 0.76 O ATOM 424 CG2 THR A 26 -5.071 -10.133 2.146 1.00 0.81 C ATOM 0 H THR A 26 -5.080 -7.698 3.778 1.00 0.30 H new ATOM 0 HA THR A 26 -3.939 -7.946 1.092 1.00 0.31 H new ATOM 0 HB THR A 26 -6.176 -9.044 0.658 1.00 0.37 H new ATOM 0 HG1 THR A 26 -7.507 -9.348 2.544 1.00 0.76 H new ATOM 0 HG21 THR A 26 -5.763 -10.975 2.151 1.00 0.81 H new ATOM 0 HG22 THR A 26 -4.240 -10.350 1.475 1.00 0.81 H new ATOM 0 HG23 THR A 26 -4.690 -9.971 3.154 1.00 0.81 H new ATOM 432 N LEU A 27 -5.603 -6.498 -0.299 1.00 0.31 N ATOM 433 CA LEU A 27 -6.249 -5.368 -1.024 1.00 0.34 C ATOM 434 C LEU A 27 -7.701 -5.235 -0.553 1.00 0.30 C ATOM 435 O LEU A 27 -8.205 -4.148 -0.348 1.00 0.31 O ATOM 436 CB LEU A 27 -6.178 -5.670 -2.528 1.00 0.44 C ATOM 437 CG LEU A 27 -6.824 -4.560 -3.375 1.00 0.47 C ATOM 438 CD1 LEU A 27 -6.338 -3.178 -2.929 1.00 0.70 C ATOM 439 CD2 LEU A 27 -6.447 -4.776 -4.846 1.00 0.68 C ATOM 0 H LEU A 27 -5.255 -7.248 -0.896 1.00 0.31 H new ATOM 0 HA LEU A 27 -5.741 -4.425 -0.823 1.00 0.34 H new ATOM 0 HB2 LEU A 27 -5.136 -5.790 -2.824 1.00 0.44 H new ATOM 0 HB3 LEU A 27 -6.678 -6.617 -2.731 1.00 0.44 H new ATOM 0 HG LEU A 27 -7.905 -4.604 -3.246 1.00 0.47 H new ATOM 0 HD11 LEU A 27 -6.809 -2.411 -3.543 1.00 0.70 H new ATOM 0 HD12 LEU A 27 -6.603 -3.019 -1.884 1.00 0.70 H new ATOM 0 HD13 LEU A 27 -5.255 -3.119 -3.042 1.00 0.70 H new ATOM 0 HD21 LEU A 27 -6.900 -3.994 -5.456 1.00 0.68 H new ATOM 0 HD22 LEU A 27 -5.363 -4.738 -4.953 1.00 0.68 H new ATOM 0 HD23 LEU A 27 -6.810 -5.750 -5.175 1.00 0.68 H new ATOM 451 N ASN A 28 -8.369 -6.340 -0.369 1.00 0.30 N ATOM 452 CA ASN A 28 -9.783 -6.299 0.102 1.00 0.31 C ATOM 453 C ASN A 28 -9.863 -5.619 1.474 1.00 0.29 C ATOM 454 O ASN A 28 -10.769 -4.857 1.750 1.00 0.32 O ATOM 455 CB ASN A 28 -10.303 -7.731 0.223 1.00 0.36 C ATOM 456 CG ASN A 28 -10.381 -8.361 -1.167 1.00 0.43 C ATOM 457 OD1 ASN A 28 -11.197 -7.974 -1.979 1.00 1.07 O ATOM 458 ND2 ASN A 28 -9.552 -9.321 -1.478 1.00 1.25 N ATOM 0 H ASN A 28 -7.994 -7.276 -0.526 1.00 0.30 H new ATOM 0 HA ASN A 28 -10.385 -5.735 -0.610 1.00 0.31 H new ATOM 0 HB2 ASN A 28 -9.643 -8.316 0.863 1.00 0.36 H new ATOM 0 HB3 ASN A 28 -11.287 -7.734 0.692 1.00 0.36 H new ATOM 0 HD21 ASN A 28 -9.589 -9.747 -2.404 1.00 1.25 H new ATOM 0 HD22 ASN A 28 -8.867 -9.645 -0.795 1.00 1.25 H new ATOM 465 N GLY A 29 -8.925 -5.899 2.338 1.00 0.28 N ATOM 466 CA GLY A 29 -8.946 -5.283 3.697 1.00 0.29 C ATOM 467 C GLY A 29 -8.880 -3.758 3.589 1.00 0.28 C ATOM 468 O GLY A 29 -9.533 -3.045 4.326 1.00 0.29 O ATOM 0 H GLY A 29 -8.143 -6.529 2.161 1.00 0.28 H new ATOM 0 HA2 GLY A 29 -9.853 -5.578 4.224 1.00 0.29 H new ATOM 0 HA3 GLY A 29 -8.103 -5.650 4.283 1.00 0.29 H new ATOM 472 N ILE A 30 -8.084 -3.252 2.688 1.00 0.26 N ATOM 473 CA ILE A 30 -7.961 -1.773 2.549 1.00 0.27 C ATOM 474 C ILE A 30 -9.317 -1.152 2.198 1.00 0.27 C ATOM 475 O ILE A 30 -9.669 -0.102 2.696 1.00 0.29 O ATOM 476 CB ILE A 30 -6.947 -1.447 1.450 1.00 0.29 C ATOM 477 CG1 ILE A 30 -5.570 -1.967 1.873 1.00 0.32 C ATOM 478 CG2 ILE A 30 -6.886 0.071 1.239 1.00 0.34 C ATOM 479 CD1 ILE A 30 -4.597 -1.868 0.697 1.00 0.35 C ATOM 0 H ILE A 30 -7.514 -3.798 2.042 1.00 0.26 H new ATOM 0 HA ILE A 30 -7.622 -1.357 3.498 1.00 0.27 H new ATOM 0 HB ILE A 30 -7.248 -1.923 0.517 1.00 0.29 H new ATOM 0 HG12 ILE A 30 -5.195 -1.388 2.717 1.00 0.32 H new ATOM 0 HG13 ILE A 30 -5.648 -3.002 2.206 1.00 0.32 H new ATOM 0 HG21 ILE A 30 -6.163 0.301 0.456 1.00 0.34 H new ATOM 0 HG22 ILE A 30 -7.869 0.437 0.944 1.00 0.34 H new ATOM 0 HG23 ILE A 30 -6.582 0.555 2.167 1.00 0.34 H new ATOM 0 HD11 ILE A 30 -3.619 -2.239 1.002 1.00 0.35 H new ATOM 0 HD12 ILE A 30 -4.969 -2.467 -0.134 1.00 0.35 H new ATOM 0 HD13 ILE A 30 -4.509 -0.828 0.384 1.00 0.35 H new ATOM 491 N TYR A 31 -10.079 -1.778 1.344 1.00 0.28 N ATOM 492 CA TYR A 31 -11.401 -1.194 0.973 1.00 0.30 C ATOM 493 C TYR A 31 -12.291 -1.050 2.208 1.00 0.30 C ATOM 494 O TYR A 31 -13.004 -0.076 2.355 1.00 0.32 O ATOM 495 CB TYR A 31 -12.103 -2.096 -0.050 1.00 0.36 C ATOM 496 CG TYR A 31 -11.558 -1.836 -1.438 1.00 0.38 C ATOM 497 CD1 TYR A 31 -11.726 -0.577 -2.022 1.00 1.36 C ATOM 498 CD2 TYR A 31 -10.896 -2.846 -2.144 1.00 1.20 C ATOM 499 CE1 TYR A 31 -11.233 -0.327 -3.303 1.00 1.40 C ATOM 500 CE2 TYR A 31 -10.401 -2.597 -3.429 1.00 1.23 C ATOM 501 CZ TYR A 31 -10.571 -1.335 -4.007 1.00 0.58 C ATOM 502 OH TYR A 31 -10.088 -1.084 -5.271 1.00 0.72 O ATOM 0 H TYR A 31 -9.847 -2.661 0.890 1.00 0.28 H new ATOM 0 HA TYR A 31 -11.230 -0.209 0.540 1.00 0.30 H new ATOM 0 HB2 TYR A 31 -11.956 -3.143 0.216 1.00 0.36 H new ATOM 0 HB3 TYR A 31 -13.177 -1.911 -0.033 1.00 0.36 H new ATOM 0 HD1 TYR A 31 -12.239 0.204 -1.480 1.00 1.36 H new ATOM 0 HD2 TYR A 31 -10.767 -3.820 -1.696 1.00 1.20 H new ATOM 0 HE1 TYR A 31 -11.364 0.647 -3.751 1.00 1.40 H new ATOM 0 HE2 TYR A 31 -9.889 -3.377 -3.973 1.00 1.23 H new ATOM 0 HH TYR A 31 -10.552 -0.308 -5.650 1.00 0.72 H new ATOM 512 N GLN A 32 -12.275 -2.006 3.089 1.00 0.31 N ATOM 513 CA GLN A 32 -13.143 -1.903 4.294 1.00 0.35 C ATOM 514 C GLN A 32 -12.775 -0.652 5.096 1.00 0.33 C ATOM 515 O GLN A 32 -13.629 0.035 5.619 1.00 0.34 O ATOM 516 CB GLN A 32 -12.925 -3.141 5.163 1.00 0.41 C ATOM 517 CG GLN A 32 -13.518 -4.372 4.475 1.00 1.25 C ATOM 518 CD GLN A 32 -15.045 -4.298 4.526 1.00 1.79 C ATOM 519 OE1 GLN A 32 -15.696 -4.228 3.503 1.00 2.35 O ATOM 520 NE2 GLN A 32 -15.649 -4.321 5.684 1.00 2.51 N ATOM 0 H GLN A 32 -11.704 -2.849 3.030 1.00 0.31 H new ATOM 0 HA GLN A 32 -14.187 -1.836 3.988 1.00 0.35 H new ATOM 0 HB2 GLN A 32 -11.860 -3.290 5.338 1.00 0.41 H new ATOM 0 HB3 GLN A 32 -13.392 -2.998 6.138 1.00 0.41 H new ATOM 0 HG2 GLN A 32 -13.180 -4.422 3.440 1.00 1.25 H new ATOM 0 HG3 GLN A 32 -13.170 -5.280 4.968 1.00 1.25 H new ATOM 0 HE21 GLN A 32 -15.102 -4.380 6.543 1.00 2.51 H new ATOM 0 HE22 GLN A 32 -16.667 -4.280 5.729 1.00 2.51 H new ATOM 529 N PHE A 33 -11.510 -0.361 5.205 1.00 0.33 N ATOM 530 CA PHE A 33 -11.074 0.835 5.981 1.00 0.35 C ATOM 531 C PHE A 33 -11.659 2.130 5.402 1.00 0.32 C ATOM 532 O PHE A 33 -12.189 2.955 6.118 1.00 0.34 O ATOM 533 CB PHE A 33 -9.545 0.909 5.943 1.00 0.40 C ATOM 534 CG PHE A 33 -9.071 2.145 6.670 1.00 0.46 C ATOM 535 CD1 PHE A 33 -9.060 2.171 8.069 1.00 1.23 C ATOM 536 CD2 PHE A 33 -8.639 3.263 5.945 1.00 1.34 C ATOM 537 CE1 PHE A 33 -8.617 3.315 8.743 1.00 1.27 C ATOM 538 CE2 PHE A 33 -8.195 4.405 6.619 1.00 1.37 C ATOM 539 CZ PHE A 33 -8.183 4.431 8.018 1.00 0.63 C ATOM 0 H PHE A 33 -10.753 -0.903 4.788 1.00 0.33 H new ATOM 0 HA PHE A 33 -11.434 0.735 7.005 1.00 0.35 H new ATOM 0 HB2 PHE A 33 -9.118 0.019 6.405 1.00 0.40 H new ATOM 0 HB3 PHE A 33 -9.199 0.929 4.910 1.00 0.40 H new ATOM 0 HD1 PHE A 33 -9.393 1.309 8.628 1.00 1.23 H new ATOM 0 HD2 PHE A 33 -8.649 3.243 4.865 1.00 1.34 H new ATOM 0 HE1 PHE A 33 -8.610 3.337 9.823 1.00 1.27 H new ATOM 0 HE2 PHE A 33 -7.861 5.267 6.060 1.00 1.37 H new ATOM 0 HZ PHE A 33 -7.839 5.312 8.539 1.00 0.63 H new ATOM 549 N ILE A 34 -11.533 2.336 4.119 1.00 0.28 N ATOM 550 CA ILE A 34 -12.039 3.600 3.505 1.00 0.27 C ATOM 551 C ILE A 34 -13.552 3.772 3.698 1.00 0.26 C ATOM 552 O ILE A 34 -14.009 4.820 4.109 1.00 0.27 O ATOM 553 CB ILE A 34 -11.697 3.599 2.012 1.00 0.27 C ATOM 554 CG1 ILE A 34 -10.175 3.687 1.864 1.00 0.32 C ATOM 555 CG2 ILE A 34 -12.351 4.802 1.324 1.00 0.29 C ATOM 556 CD1 ILE A 34 -9.774 3.440 0.410 1.00 0.59 C ATOM 0 H ILE A 34 -11.100 1.682 3.467 1.00 0.28 H new ATOM 0 HA ILE A 34 -11.555 4.439 4.005 1.00 0.27 H new ATOM 0 HB ILE A 34 -12.069 2.686 1.547 1.00 0.27 H new ATOM 0 HG12 ILE A 34 -9.827 4.669 2.184 1.00 0.32 H new ATOM 0 HG13 ILE A 34 -9.696 2.953 2.511 1.00 0.32 H new ATOM 0 HG21 ILE A 34 -12.103 4.794 0.263 1.00 0.29 H new ATOM 0 HG22 ILE A 34 -13.433 4.746 1.444 1.00 0.29 H new ATOM 0 HG23 ILE A 34 -11.983 5.724 1.775 1.00 0.29 H new ATOM 0 HD11 ILE A 34 -8.690 3.505 0.315 1.00 0.59 H new ATOM 0 HD12 ILE A 34 -10.106 2.448 0.104 1.00 0.59 H new ATOM 0 HD13 ILE A 34 -10.239 4.191 -0.228 1.00 0.59 H new ATOM 568 N MET A 35 -14.338 2.779 3.388 1.00 0.27 N ATOM 569 CA MET A 35 -15.815 2.935 3.542 1.00 0.29 C ATOM 570 C MET A 35 -16.187 3.229 4.999 1.00 0.29 C ATOM 571 O MET A 35 -17.063 4.027 5.271 1.00 0.31 O ATOM 572 CB MET A 35 -16.518 1.658 3.074 1.00 0.37 C ATOM 573 CG MET A 35 -16.474 1.586 1.544 1.00 0.44 C ATOM 574 SD MET A 35 -17.303 0.079 0.976 1.00 0.69 S ATOM 575 CE MET A 35 -15.834 -0.973 0.882 1.00 0.47 C ATOM 0 H MET A 35 -14.027 1.873 3.038 1.00 0.27 H new ATOM 0 HA MET A 35 -16.139 3.777 2.931 1.00 0.29 H new ATOM 0 HB2 MET A 35 -16.031 0.783 3.505 1.00 0.37 H new ATOM 0 HB3 MET A 35 -17.552 1.651 3.420 1.00 0.37 H new ATOM 0 HG2 MET A 35 -16.960 2.463 1.116 1.00 0.44 H new ATOM 0 HG3 MET A 35 -15.440 1.595 1.200 1.00 0.44 H new ATOM 0 HE1 MET A 35 -16.121 -1.969 0.545 1.00 0.47 H new ATOM 0 HE2 MET A 35 -15.123 -0.542 0.177 1.00 0.47 H new ATOM 0 HE3 MET A 35 -15.372 -1.042 1.867 1.00 0.47 H new ATOM 585 N ASP A 36 -15.550 2.589 5.939 1.00 0.31 N ATOM 586 CA ASP A 36 -15.896 2.836 7.369 1.00 0.37 C ATOM 587 C ASP A 36 -15.512 4.261 7.787 1.00 0.38 C ATOM 588 O ASP A 36 -16.287 4.968 8.399 1.00 0.45 O ATOM 589 CB ASP A 36 -15.134 1.841 8.246 1.00 0.43 C ATOM 590 CG ASP A 36 -15.700 0.434 8.042 1.00 0.51 C ATOM 591 OD1 ASP A 36 -16.823 0.330 7.579 1.00 1.12 O ATOM 592 OD2 ASP A 36 -14.998 -0.516 8.350 1.00 1.17 O ATOM 0 H ASP A 36 -14.807 1.908 5.782 1.00 0.31 H new ATOM 0 HA ASP A 36 -16.972 2.712 7.493 1.00 0.37 H new ATOM 0 HB2 ASP A 36 -14.074 1.857 7.994 1.00 0.43 H new ATOM 0 HB3 ASP A 36 -15.217 2.128 9.294 1.00 0.43 H new ATOM 597 N ARG A 37 -14.312 4.674 7.485 1.00 0.39 N ATOM 598 CA ARG A 37 -13.854 6.037 7.887 1.00 0.46 C ATOM 599 C ARG A 37 -14.567 7.143 7.100 1.00 0.45 C ATOM 600 O ARG A 37 -14.889 8.179 7.648 1.00 0.59 O ATOM 601 CB ARG A 37 -12.342 6.135 7.662 1.00 0.53 C ATOM 602 CG ARG A 37 -11.593 5.330 8.746 1.00 1.16 C ATOM 603 CD ARG A 37 -11.139 6.254 9.888 1.00 1.28 C ATOM 604 NE ARG A 37 -12.123 7.361 10.065 1.00 1.77 N ATOM 605 CZ ARG A 37 -12.095 8.091 11.146 1.00 2.16 C ATOM 606 NH1 ARG A 37 -11.225 7.835 12.085 1.00 2.31 N ATOM 607 NH2 ARG A 37 -12.940 9.076 11.289 1.00 3.00 N ATOM 0 H ARG A 37 -13.623 4.123 6.973 1.00 0.39 H new ATOM 0 HA ARG A 37 -14.098 6.182 8.940 1.00 0.46 H new ATOM 0 HB2 ARG A 37 -12.088 5.753 6.673 1.00 0.53 H new ATOM 0 HB3 ARG A 37 -12.029 7.179 7.691 1.00 0.53 H new ATOM 0 HG2 ARG A 37 -12.242 4.548 9.140 1.00 1.16 H new ATOM 0 HG3 ARG A 37 -10.728 4.834 8.306 1.00 1.16 H new ATOM 0 HD2 ARG A 37 -11.047 5.685 10.813 1.00 1.28 H new ATOM 0 HD3 ARG A 37 -10.153 6.663 9.667 1.00 1.28 H new ATOM 0 HE ARG A 37 -12.817 7.547 9.341 1.00 1.77 H new ATOM 0 HH11 ARG A 37 -10.567 7.064 11.974 1.00 2.31 H new ATOM 0 HH12 ARG A 37 -11.204 8.406 12.930 1.00 2.31 H new ATOM 0 HH21 ARG A 37 -13.621 9.274 10.556 1.00 3.00 H new ATOM 0 HH22 ARG A 37 -12.919 9.647 12.134 1.00 3.00 H new ATOM 621 N PHE A 38 -14.787 6.957 5.822 1.00 0.40 N ATOM 622 CA PHE A 38 -15.445 8.024 4.999 1.00 0.41 C ATOM 623 C PHE A 38 -16.661 7.448 4.258 1.00 0.39 C ATOM 624 O PHE A 38 -16.588 7.124 3.093 1.00 0.51 O ATOM 625 CB PHE A 38 -14.434 8.555 3.973 1.00 0.43 C ATOM 626 CG PHE A 38 -13.112 8.856 4.645 1.00 0.54 C ATOM 627 CD1 PHE A 38 -12.906 10.084 5.288 1.00 1.47 C ATOM 628 CD2 PHE A 38 -12.082 7.905 4.612 1.00 1.21 C ATOM 629 CE1 PHE A 38 -11.673 10.360 5.896 1.00 1.54 C ATOM 630 CE2 PHE A 38 -10.852 8.183 5.218 1.00 1.27 C ATOM 631 CZ PHE A 38 -10.647 9.410 5.860 1.00 0.82 C ATOM 0 H PHE A 38 -14.539 6.110 5.310 1.00 0.40 H new ATOM 0 HA PHE A 38 -15.778 8.830 5.654 1.00 0.41 H new ATOM 0 HB2 PHE A 38 -14.288 7.820 3.182 1.00 0.43 H new ATOM 0 HB3 PHE A 38 -14.824 9.457 3.502 1.00 0.43 H new ATOM 0 HD1 PHE A 38 -13.697 10.818 5.315 1.00 1.47 H new ATOM 0 HD2 PHE A 38 -12.238 6.957 4.118 1.00 1.21 H new ATOM 0 HE1 PHE A 38 -11.515 11.306 6.392 1.00 1.54 H new ATOM 0 HE2 PHE A 38 -10.059 7.450 5.190 1.00 1.27 H new ATOM 0 HZ PHE A 38 -9.697 9.623 6.327 1.00 0.82 H new ATOM 641 N PRO A 39 -17.774 7.321 4.934 1.00 0.53 N ATOM 642 CA PRO A 39 -19.032 6.778 4.335 1.00 0.55 C ATOM 643 C PRO A 39 -19.405 7.426 2.992 1.00 0.47 C ATOM 644 O PRO A 39 -20.298 6.966 2.308 1.00 0.47 O ATOM 645 CB PRO A 39 -20.096 7.086 5.396 1.00 0.70 C ATOM 646 CG PRO A 39 -19.345 7.115 6.687 1.00 1.21 C ATOM 647 CD PRO A 39 -17.959 7.672 6.353 1.00 0.88 C ATOM 0 HA PRO A 39 -18.930 5.719 4.100 1.00 0.55 H new ATOM 0 HB2 PRO A 39 -20.586 8.040 5.201 1.00 0.70 H new ATOM 0 HB3 PRO A 39 -20.876 6.324 5.408 1.00 0.70 H new ATOM 0 HG2 PRO A 39 -19.852 7.743 7.420 1.00 1.21 H new ATOM 0 HG3 PRO A 39 -19.271 6.117 7.119 1.00 1.21 H new ATOM 0 HD2 PRO A 39 -17.913 8.750 6.508 1.00 0.88 H new ATOM 0 HD3 PRO A 39 -17.187 7.226 6.980 1.00 0.88 H new ATOM 655 N PHE A 40 -18.744 8.483 2.601 1.00 0.44 N ATOM 656 CA PHE A 40 -19.097 9.129 1.302 1.00 0.42 C ATOM 657 C PHE A 40 -18.902 8.113 0.170 1.00 0.34 C ATOM 658 O PHE A 40 -19.639 8.085 -0.796 1.00 0.36 O ATOM 659 CB PHE A 40 -18.184 10.339 1.036 1.00 0.48 C ATOM 660 CG PHE A 40 -17.785 11.004 2.334 1.00 1.33 C ATOM 661 CD1 PHE A 40 -18.758 11.344 3.280 1.00 2.34 C ATOM 662 CD2 PHE A 40 -16.436 11.296 2.582 1.00 2.20 C ATOM 663 CE1 PHE A 40 -18.384 11.978 4.473 1.00 3.41 C ATOM 664 CE2 PHE A 40 -16.063 11.927 3.774 1.00 3.29 C ATOM 665 CZ PHE A 40 -17.037 12.268 4.719 1.00 3.74 C ATOM 0 H PHE A 40 -17.983 8.924 3.118 1.00 0.44 H new ATOM 0 HA PHE A 40 -20.133 9.464 1.346 1.00 0.42 H new ATOM 0 HB2 PHE A 40 -17.293 10.017 0.498 1.00 0.48 H new ATOM 0 HB3 PHE A 40 -18.700 11.056 0.398 1.00 0.48 H new ATOM 0 HD1 PHE A 40 -19.797 11.118 3.091 1.00 2.34 H new ATOM 0 HD2 PHE A 40 -15.684 11.034 1.852 1.00 2.20 H new ATOM 0 HE1 PHE A 40 -19.135 12.243 5.202 1.00 3.41 H new ATOM 0 HE2 PHE A 40 -15.024 12.151 3.965 1.00 3.29 H new ATOM 0 HZ PHE A 40 -16.749 12.755 5.639 1.00 3.74 H new ATOM 675 N TYR A 41 -17.884 7.307 0.279 1.00 0.27 N ATOM 676 CA TYR A 41 -17.581 6.311 -0.786 1.00 0.25 C ATOM 677 C TYR A 41 -18.646 5.214 -0.826 1.00 0.29 C ATOM 678 O TYR A 41 -18.899 4.634 -1.864 1.00 0.35 O ATOM 679 CB TYR A 41 -16.208 5.704 -0.503 1.00 0.23 C ATOM 680 CG TYR A 41 -15.158 6.761 -0.750 1.00 0.25 C ATOM 681 CD1 TYR A 41 -14.845 7.670 0.263 1.00 1.10 C ATOM 682 CD2 TYR A 41 -14.515 6.842 -1.986 1.00 1.04 C ATOM 683 CE1 TYR A 41 -13.884 8.661 0.047 1.00 1.12 C ATOM 684 CE2 TYR A 41 -13.551 7.831 -2.210 1.00 1.05 C ATOM 685 CZ TYR A 41 -13.232 8.743 -1.192 1.00 0.34 C ATOM 686 OH TYR A 41 -12.282 9.719 -1.412 1.00 0.40 O ATOM 0 H TYR A 41 -17.241 7.296 1.071 1.00 0.27 H new ATOM 0 HA TYR A 41 -17.580 6.806 -1.757 1.00 0.25 H new ATOM 0 HB2 TYR A 41 -16.155 5.350 0.527 1.00 0.23 H new ATOM 0 HB3 TYR A 41 -16.035 4.841 -1.146 1.00 0.23 H new ATOM 0 HD1 TYR A 41 -15.348 7.607 1.217 1.00 1.10 H new ATOM 0 HD2 TYR A 41 -14.762 6.141 -2.770 1.00 1.04 H new ATOM 0 HE1 TYR A 41 -13.644 9.362 0.832 1.00 1.12 H new ATOM 0 HE2 TYR A 41 -13.052 7.893 -3.166 1.00 1.05 H new ATOM 0 HH TYR A 41 -11.929 9.633 -2.322 1.00 0.40 H new ATOM 696 N ARG A 42 -19.286 4.921 0.273 1.00 0.33 N ATOM 697 CA ARG A 42 -20.331 3.860 0.234 1.00 0.42 C ATOM 698 C ARG A 42 -21.394 4.275 -0.784 1.00 0.44 C ATOM 699 O ARG A 42 -21.888 3.467 -1.545 1.00 0.53 O ATOM 700 CB ARG A 42 -20.981 3.707 1.614 1.00 0.50 C ATOM 701 CG ARG A 42 -20.065 2.903 2.544 1.00 0.58 C ATOM 702 CD ARG A 42 -20.630 2.935 3.970 1.00 0.63 C ATOM 703 NE ARG A 42 -20.018 1.836 4.784 1.00 1.26 N ATOM 704 CZ ARG A 42 -20.190 0.578 4.480 1.00 1.66 C ATOM 705 NH1 ARG A 42 -21.002 0.236 3.517 1.00 1.95 N ATOM 706 NH2 ARG A 42 -19.578 -0.346 5.170 1.00 2.51 N ATOM 0 H ARG A 42 -19.135 5.361 1.181 1.00 0.33 H new ATOM 0 HA ARG A 42 -19.881 2.908 -0.047 1.00 0.42 H new ATOM 0 HB2 ARG A 42 -21.175 4.690 2.044 1.00 0.50 H new ATOM 0 HB3 ARG A 42 -21.944 3.205 1.517 1.00 0.50 H new ATOM 0 HG2 ARG A 42 -19.988 1.873 2.195 1.00 0.58 H new ATOM 0 HG3 ARG A 42 -19.058 3.321 2.531 1.00 0.58 H new ATOM 0 HD2 ARG A 42 -20.422 3.900 4.431 1.00 0.63 H new ATOM 0 HD3 ARG A 42 -21.714 2.820 3.944 1.00 0.63 H new ATOM 0 HE ARG A 42 -19.452 2.077 5.597 1.00 1.26 H new ATOM 0 HH11 ARG A 42 -21.507 0.953 2.997 1.00 1.95 H new ATOM 0 HH12 ARG A 42 -21.132 -0.749 3.285 1.00 1.95 H new ATOM 0 HH21 ARG A 42 -18.968 -0.084 5.944 1.00 2.51 H new ATOM 0 HH22 ARG A 42 -19.710 -1.330 4.935 1.00 2.51 H new ATOM 720 N GLU A 43 -21.737 5.534 -0.818 1.00 0.42 N ATOM 721 CA GLU A 43 -22.753 5.997 -1.803 1.00 0.48 C ATOM 722 C GLU A 43 -22.175 5.871 -3.211 1.00 0.45 C ATOM 723 O GLU A 43 -22.843 5.470 -4.142 1.00 0.66 O ATOM 724 CB GLU A 43 -23.137 7.449 -1.511 1.00 0.62 C ATOM 725 CG GLU A 43 -23.941 7.505 -0.211 1.00 1.27 C ATOM 726 CD GLU A 43 -24.332 8.952 0.093 1.00 1.75 C ATOM 727 OE1 GLU A 43 -25.127 9.500 -0.653 1.00 2.28 O ATOM 728 OE2 GLU A 43 -23.835 9.487 1.070 1.00 2.34 O ATOM 0 H GLU A 43 -21.359 6.259 -0.208 1.00 0.42 H new ATOM 0 HA GLU A 43 -23.650 5.382 -1.726 1.00 0.48 H new ATOM 0 HB2 GLU A 43 -22.241 8.064 -1.425 1.00 0.62 H new ATOM 0 HB3 GLU A 43 -23.725 7.855 -2.334 1.00 0.62 H new ATOM 0 HG2 GLU A 43 -24.835 6.888 -0.298 1.00 1.27 H new ATOM 0 HG3 GLU A 43 -23.351 7.098 0.610 1.00 1.27 H new ATOM 735 N ASN A 44 -20.926 6.200 -3.358 1.00 0.44 N ATOM 736 CA ASN A 44 -20.254 6.098 -4.691 1.00 0.43 C ATOM 737 C ASN A 44 -19.429 4.811 -4.742 1.00 0.37 C ATOM 738 O ASN A 44 -18.341 4.742 -4.206 1.00 0.47 O ATOM 739 CB ASN A 44 -19.309 7.286 -4.891 1.00 0.54 C ATOM 740 CG ASN A 44 -20.116 8.568 -5.099 1.00 1.30 C ATOM 741 OD1 ASN A 44 -21.225 8.529 -5.593 1.00 2.01 O ATOM 742 ND2 ASN A 44 -19.598 9.712 -4.746 1.00 1.97 N ATOM 0 H ASN A 44 -20.329 6.541 -2.604 1.00 0.44 H new ATOM 0 HA ASN A 44 -21.014 6.095 -5.472 1.00 0.43 H new ATOM 0 HB2 ASN A 44 -18.658 7.393 -4.023 1.00 0.54 H new ATOM 0 HB3 ASN A 44 -18.665 7.108 -5.752 1.00 0.54 H new ATOM 0 HD21 ASN A 44 -20.124 10.575 -4.885 1.00 1.97 H new ATOM 0 HD22 ASN A 44 -18.667 9.744 -4.331 1.00 1.97 H new ATOM 749 N LYS A 45 -19.933 3.788 -5.377 1.00 0.49 N ATOM 750 CA LYS A 45 -19.170 2.508 -5.455 1.00 0.61 C ATOM 751 C LYS A 45 -18.283 2.492 -6.699 1.00 0.71 C ATOM 752 O LYS A 45 -17.087 2.694 -6.628 1.00 0.97 O ATOM 753 CB LYS A 45 -20.147 1.332 -5.528 1.00 0.76 C ATOM 754 CG LYS A 45 -20.954 1.238 -4.233 1.00 0.74 C ATOM 755 CD LYS A 45 -21.922 0.056 -4.329 1.00 0.93 C ATOM 756 CE LYS A 45 -22.737 -0.048 -3.040 1.00 1.11 C ATOM 757 NZ LYS A 45 -23.446 -1.359 -3.006 1.00 1.68 N ATOM 0 H LYS A 45 -20.839 3.782 -5.845 1.00 0.49 H new ATOM 0 HA LYS A 45 -18.545 2.421 -4.566 1.00 0.61 H new ATOM 0 HB2 LYS A 45 -20.820 1.460 -6.376 1.00 0.76 H new ATOM 0 HB3 LYS A 45 -19.599 0.404 -5.693 1.00 0.76 H new ATOM 0 HG2 LYS A 45 -20.285 1.108 -3.382 1.00 0.74 H new ATOM 0 HG3 LYS A 45 -21.506 2.163 -4.066 1.00 0.74 H new ATOM 0 HD2 LYS A 45 -22.588 0.187 -5.182 1.00 0.93 H new ATOM 0 HD3 LYS A 45 -21.368 -0.868 -4.496 1.00 0.93 H new ATOM 0 HE2 LYS A 45 -22.082 0.046 -2.174 1.00 1.11 H new ATOM 0 HE3 LYS A 45 -23.457 0.769 -2.985 1.00 1.11 H new ATOM 0 HZ1 LYS A 45 -24.001 -1.431 -2.129 1.00 1.68 H new ATOM 0 HZ2 LYS A 45 -24.082 -1.431 -3.825 1.00 1.68 H new ATOM 0 HZ3 LYS A 45 -22.750 -2.131 -3.039 1.00 1.68 H new ATOM 771 N GLN A 46 -18.861 2.225 -7.839 1.00 0.95 N ATOM 772 CA GLN A 46 -18.058 2.161 -9.091 1.00 1.12 C ATOM 773 C GLN A 46 -17.374 3.502 -9.349 1.00 0.71 C ATOM 774 O GLN A 46 -17.950 4.554 -9.153 1.00 1.16 O ATOM 775 CB GLN A 46 -18.983 1.837 -10.266 1.00 1.90 C ATOM 776 CG GLN A 46 -19.496 0.402 -10.136 1.00 2.64 C ATOM 777 CD GLN A 46 -18.344 -0.580 -10.356 1.00 3.38 C ATOM 778 OE1 GLN A 46 -17.604 -0.463 -11.312 1.00 3.81 O ATOM 779 NE2 GLN A 46 -18.164 -1.554 -9.507 1.00 3.98 N ATOM 0 H GLN A 46 -19.859 2.048 -7.956 1.00 0.95 H new ATOM 0 HA GLN A 46 -17.298 1.387 -8.986 1.00 1.12 H new ATOM 0 HB2 GLN A 46 -19.821 2.533 -10.284 1.00 1.90 H new ATOM 0 HB3 GLN A 46 -18.447 1.958 -11.208 1.00 1.90 H new ATOM 0 HG2 GLN A 46 -19.933 0.250 -9.149 1.00 2.64 H new ATOM 0 HG3 GLN A 46 -20.286 0.220 -10.865 1.00 2.64 H new ATOM 0 HE21 GLN A 46 -18.785 -1.652 -8.704 1.00 3.98 H new ATOM 0 HE22 GLN A 46 -17.402 -2.217 -9.646 1.00 3.98 H new ATOM 788 N GLY A 47 -16.146 3.463 -9.801 1.00 0.78 N ATOM 789 CA GLY A 47 -15.391 4.718 -10.096 1.00 0.73 C ATOM 790 C GLY A 47 -14.142 4.786 -9.216 1.00 0.54 C ATOM 791 O GLY A 47 -13.035 4.885 -9.706 1.00 0.64 O ATOM 0 H GLY A 47 -15.628 2.603 -9.980 1.00 0.78 H new ATOM 0 HA2 GLY A 47 -15.108 4.745 -11.148 1.00 0.73 H new ATOM 0 HA3 GLY A 47 -16.024 5.586 -9.914 1.00 0.73 H new ATOM 795 N TRP A 48 -14.306 4.751 -7.919 1.00 0.44 N ATOM 796 CA TRP A 48 -13.119 4.832 -7.015 1.00 0.33 C ATOM 797 C TRP A 48 -12.567 3.436 -6.716 1.00 0.31 C ATOM 798 O TRP A 48 -11.501 3.294 -6.151 1.00 0.37 O ATOM 799 CB TRP A 48 -13.518 5.524 -5.706 1.00 0.36 C ATOM 800 CG TRP A 48 -14.387 4.639 -4.865 1.00 0.35 C ATOM 801 CD1 TRP A 48 -15.716 4.441 -5.045 1.00 0.37 C ATOM 802 CD2 TRP A 48 -14.017 3.848 -3.695 1.00 0.35 C ATOM 803 NE1 TRP A 48 -16.180 3.586 -4.064 1.00 0.37 N ATOM 804 CE2 TRP A 48 -15.174 3.192 -3.208 1.00 0.36 C ATOM 805 CE3 TRP A 48 -12.804 3.641 -3.014 1.00 0.37 C ATOM 806 CZ2 TRP A 48 -15.129 2.362 -2.088 1.00 0.39 C ATOM 807 CZ3 TRP A 48 -12.755 2.805 -1.886 1.00 0.41 C ATOM 808 CH2 TRP A 48 -13.915 2.168 -1.424 1.00 0.42 C ATOM 0 H TRP A 48 -15.207 4.670 -7.448 1.00 0.44 H new ATOM 0 HA TRP A 48 -12.340 5.410 -7.513 1.00 0.33 H new ATOM 0 HB2 TRP A 48 -12.622 5.794 -5.147 1.00 0.36 H new ATOM 0 HB3 TRP A 48 -14.047 6.451 -5.929 1.00 0.36 H new ATOM 0 HD1 TRP A 48 -16.315 4.881 -5.829 1.00 0.37 H new ATOM 0 HE1 TRP A 48 -17.150 3.283 -3.983 1.00 0.37 H new ATOM 0 HE3 TRP A 48 -11.904 4.128 -3.360 1.00 0.37 H new ATOM 0 HZ2 TRP A 48 -16.026 1.873 -1.737 1.00 0.39 H new ATOM 0 HZ3 TRP A 48 -11.818 2.652 -1.372 1.00 0.41 H new ATOM 0 HH2 TRP A 48 -13.870 1.528 -0.555 1.00 0.42 H new ATOM 819 N GLN A 49 -13.277 2.403 -7.075 1.00 0.41 N ATOM 820 CA GLN A 49 -12.774 1.030 -6.787 1.00 0.47 C ATOM 821 C GLN A 49 -11.541 0.710 -7.637 1.00 0.37 C ATOM 822 O GLN A 49 -10.511 0.325 -7.125 1.00 0.38 O ATOM 823 CB GLN A 49 -13.869 0.008 -7.093 1.00 0.65 C ATOM 824 CG GLN A 49 -14.989 0.123 -6.057 1.00 1.21 C ATOM 825 CD GLN A 49 -16.080 -0.903 -6.372 1.00 1.35 C ATOM 826 OE1 GLN A 49 -15.788 -2.006 -6.792 1.00 1.96 O ATOM 827 NE2 GLN A 49 -17.331 -0.591 -6.176 1.00 1.59 N ATOM 0 H GLN A 49 -14.177 2.448 -7.552 1.00 0.41 H new ATOM 0 HA GLN A 49 -12.498 0.981 -5.734 1.00 0.47 H new ATOM 0 HB2 GLN A 49 -14.268 0.177 -8.093 1.00 0.65 H new ATOM 0 HB3 GLN A 49 -13.453 -0.999 -7.082 1.00 0.65 H new ATOM 0 HG2 GLN A 49 -14.592 -0.047 -5.056 1.00 1.21 H new ATOM 0 HG3 GLN A 49 -15.407 1.130 -6.067 1.00 1.21 H new ATOM 0 HE21 GLN A 49 -17.577 0.334 -5.824 1.00 1.59 H new ATOM 0 HE22 GLN A 49 -18.064 -1.272 -6.375 1.00 1.59 H new ATOM 836 N ASN A 50 -11.643 0.845 -8.930 1.00 0.37 N ATOM 837 CA ASN A 50 -10.486 0.520 -9.815 1.00 0.39 C ATOM 838 C ASN A 50 -9.319 1.481 -9.566 1.00 0.34 C ATOM 839 O ASN A 50 -8.168 1.107 -9.669 1.00 0.39 O ATOM 840 CB ASN A 50 -10.921 0.630 -11.276 1.00 0.53 C ATOM 841 CG ASN A 50 -12.042 -0.375 -11.552 1.00 0.63 C ATOM 842 OD1 ASN A 50 -13.087 -0.013 -12.057 1.00 1.25 O ATOM 843 ND2 ASN A 50 -11.870 -1.629 -11.239 1.00 1.28 N ATOM 0 H ASN A 50 -12.480 1.168 -9.415 1.00 0.37 H new ATOM 0 HA ASN A 50 -10.156 -0.495 -9.593 1.00 0.39 H new ATOM 0 HB2 ASN A 50 -11.265 1.642 -11.489 1.00 0.53 H new ATOM 0 HB3 ASN A 50 -10.074 0.436 -11.934 1.00 0.53 H new ATOM 0 HD21 ASN A 50 -12.612 -2.306 -11.418 1.00 1.28 H new ATOM 0 HD22 ASN A 50 -10.993 -1.933 -10.815 1.00 1.28 H new ATOM 850 N SER A 51 -9.597 2.720 -9.266 1.00 0.31 N ATOM 851 CA SER A 51 -8.486 3.690 -9.047 1.00 0.36 C ATOM 852 C SER A 51 -7.596 3.213 -7.897 1.00 0.37 C ATOM 853 O SER A 51 -6.387 3.294 -7.963 1.00 0.50 O ATOM 854 CB SER A 51 -9.075 5.057 -8.694 1.00 0.38 C ATOM 855 OG SER A 51 -9.713 4.978 -7.427 1.00 1.49 O ATOM 0 H SER A 51 -10.538 3.101 -9.164 1.00 0.31 H new ATOM 0 HA SER A 51 -7.889 3.765 -9.956 1.00 0.36 H new ATOM 0 HB2 SER A 51 -8.288 5.811 -8.672 1.00 0.38 H new ATOM 0 HB3 SER A 51 -9.790 5.366 -9.456 1.00 0.38 H new ATOM 0 HG SER A 51 -10.254 4.162 -7.383 1.00 1.49 H new ATOM 861 N ILE A 52 -8.184 2.715 -6.846 1.00 0.33 N ATOM 862 CA ILE A 52 -7.369 2.232 -5.695 1.00 0.43 C ATOM 863 C ILE A 52 -6.435 1.106 -6.156 1.00 0.42 C ATOM 864 O ILE A 52 -5.250 1.118 -5.885 1.00 0.47 O ATOM 865 CB ILE A 52 -8.316 1.716 -4.603 1.00 0.51 C ATOM 866 CG1 ILE A 52 -9.102 2.894 -3.991 1.00 0.62 C ATOM 867 CG2 ILE A 52 -7.520 0.982 -3.517 1.00 0.64 C ATOM 868 CD1 ILE A 52 -8.291 3.602 -2.899 1.00 0.64 C ATOM 0 H ILE A 52 -9.193 2.621 -6.733 1.00 0.33 H new ATOM 0 HA ILE A 52 -6.763 3.047 -5.300 1.00 0.43 H new ATOM 0 HB ILE A 52 -9.023 1.015 -5.047 1.00 0.51 H new ATOM 0 HG12 ILE A 52 -9.360 3.607 -4.774 1.00 0.62 H new ATOM 0 HG13 ILE A 52 -10.039 2.529 -3.571 1.00 0.62 H new ATOM 0 HG21 ILE A 52 -8.202 0.620 -2.748 1.00 0.64 H new ATOM 0 HG22 ILE A 52 -6.993 0.137 -3.961 1.00 0.64 H new ATOM 0 HG23 ILE A 52 -6.799 1.666 -3.070 1.00 0.64 H new ATOM 0 HD11 ILE A 52 -8.874 4.427 -2.489 1.00 0.64 H new ATOM 0 HD12 ILE A 52 -8.055 2.894 -2.104 1.00 0.64 H new ATOM 0 HD13 ILE A 52 -7.366 3.989 -3.326 1.00 0.64 H new ATOM 880 N ARG A 53 -6.964 0.126 -6.835 1.00 0.45 N ATOM 881 CA ARG A 53 -6.118 -1.014 -7.302 1.00 0.53 C ATOM 882 C ARG A 53 -5.222 -0.558 -8.457 1.00 0.49 C ATOM 883 O ARG A 53 -4.077 -0.952 -8.563 1.00 0.47 O ATOM 884 CB ARG A 53 -7.022 -2.166 -7.771 1.00 0.76 C ATOM 885 CG ARG A 53 -8.302 -2.173 -6.935 1.00 0.56 C ATOM 886 CD ARG A 53 -9.086 -3.462 -7.178 1.00 0.37 C ATOM 887 NE ARG A 53 -10.426 -3.347 -6.536 1.00 1.42 N ATOM 888 CZ ARG A 53 -11.379 -4.180 -6.857 1.00 1.74 C ATOM 889 NH1 ARG A 53 -11.154 -5.125 -7.729 1.00 1.58 N ATOM 890 NH2 ARG A 53 -12.554 -4.068 -6.303 1.00 2.76 N ATOM 0 H ARG A 53 -7.950 0.063 -7.089 1.00 0.45 H new ATOM 0 HA ARG A 53 -5.491 -1.357 -6.479 1.00 0.53 H new ATOM 0 HB2 ARG A 53 -7.264 -2.047 -8.827 1.00 0.76 H new ATOM 0 HB3 ARG A 53 -6.501 -3.118 -7.668 1.00 0.76 H new ATOM 0 HG2 ARG A 53 -8.054 -2.084 -5.877 1.00 0.56 H new ATOM 0 HG3 ARG A 53 -8.917 -1.311 -7.192 1.00 0.56 H new ATOM 0 HD2 ARG A 53 -9.196 -3.639 -8.248 1.00 0.37 H new ATOM 0 HD3 ARG A 53 -8.544 -4.314 -6.768 1.00 0.37 H new ATOM 0 HE ARG A 53 -10.599 -2.617 -5.845 1.00 1.42 H new ATOM 0 HH11 ARG A 53 -10.234 -5.213 -8.160 1.00 1.58 H new ATOM 0 HH12 ARG A 53 -11.899 -5.776 -7.980 1.00 1.58 H new ATOM 0 HH21 ARG A 53 -12.728 -3.331 -5.620 1.00 2.76 H new ATOM 0 HH22 ARG A 53 -13.300 -4.718 -6.553 1.00 2.76 H new ATOM 904 N HIS A 54 -5.739 0.261 -9.331 1.00 0.52 N ATOM 905 CA HIS A 54 -4.924 0.729 -10.486 1.00 0.59 C ATOM 906 C HIS A 54 -3.696 1.465 -9.952 1.00 0.53 C ATOM 907 O HIS A 54 -2.602 1.325 -10.463 1.00 0.59 O ATOM 908 CB HIS A 54 -5.764 1.675 -11.350 1.00 0.67 C ATOM 909 CG HIS A 54 -4.955 2.145 -12.528 1.00 1.12 C ATOM 910 ND1 HIS A 54 -4.364 1.259 -13.416 1.00 1.81 N ATOM 911 CD2 HIS A 54 -4.644 3.401 -12.988 1.00 1.99 C ATOM 912 CE1 HIS A 54 -3.736 1.988 -14.357 1.00 2.38 C ATOM 913 NE2 HIS A 54 -3.875 3.299 -14.144 1.00 2.48 N ATOM 0 H HIS A 54 -6.691 0.626 -9.295 1.00 0.52 H new ATOM 0 HA HIS A 54 -4.608 -0.120 -11.093 1.00 0.59 H new ATOM 0 HB2 HIS A 54 -6.663 1.165 -11.695 1.00 0.67 H new ATOM 0 HB3 HIS A 54 -6.090 2.530 -10.757 1.00 0.67 H new ATOM 0 HD2 HIS A 54 -4.949 4.327 -12.524 1.00 1.99 H new ATOM 0 HE1 HIS A 54 -3.186 1.564 -15.184 1.00 2.38 H new ATOM 0 HE2 HIS A 54 -3.499 4.062 -14.707 1.00 2.48 H new ATOM 921 N ASN A 55 -3.869 2.243 -8.920 1.00 0.46 N ATOM 922 CA ASN A 55 -2.717 2.985 -8.339 1.00 0.50 C ATOM 923 C ASN A 55 -1.710 1.993 -7.745 1.00 0.45 C ATOM 924 O ASN A 55 -0.514 2.169 -7.856 1.00 0.51 O ATOM 925 CB ASN A 55 -3.221 3.916 -7.234 1.00 0.53 C ATOM 926 CG ASN A 55 -4.025 5.060 -7.854 1.00 1.27 C ATOM 927 OD1 ASN A 55 -3.860 5.372 -9.018 1.00 2.07 O ATOM 928 ND2 ASN A 55 -4.897 5.702 -7.125 1.00 1.97 N ATOM 0 H ASN A 55 -4.762 2.397 -8.453 1.00 0.46 H new ATOM 0 HA ASN A 55 -2.231 3.569 -9.121 1.00 0.50 H new ATOM 0 HB2 ASN A 55 -3.842 3.360 -6.532 1.00 0.53 H new ATOM 0 HB3 ASN A 55 -2.379 4.315 -6.668 1.00 0.53 H new ATOM 0 HD21 ASN A 55 -5.439 6.464 -7.532 1.00 1.97 H new ATOM 0 HD22 ASN A 55 -5.036 5.441 -6.149 1.00 1.97 H new ATOM 935 N LEU A 56 -2.185 0.960 -7.100 1.00 0.39 N ATOM 936 CA LEU A 56 -1.254 -0.030 -6.483 1.00 0.39 C ATOM 937 C LEU A 56 -0.357 -0.687 -7.542 1.00 0.44 C ATOM 938 O LEU A 56 0.836 -0.820 -7.350 1.00 0.78 O ATOM 939 CB LEU A 56 -2.052 -1.116 -5.749 1.00 0.44 C ATOM 940 CG LEU A 56 -2.565 -0.575 -4.405 1.00 0.50 C ATOM 941 CD1 LEU A 56 -3.555 -1.578 -3.803 1.00 0.65 C ATOM 942 CD2 LEU A 56 -1.390 -0.349 -3.428 1.00 0.53 C ATOM 0 H LEU A 56 -3.177 0.759 -6.974 1.00 0.39 H new ATOM 0 HA LEU A 56 -0.620 0.505 -5.776 1.00 0.39 H new ATOM 0 HB2 LEU A 56 -2.892 -1.440 -6.364 1.00 0.44 H new ATOM 0 HB3 LEU A 56 -1.423 -1.990 -5.582 1.00 0.44 H new ATOM 0 HG LEU A 56 -3.063 0.380 -4.572 1.00 0.50 H new ATOM 0 HD11 LEU A 56 -3.922 -1.199 -2.849 1.00 0.65 H new ATOM 0 HD12 LEU A 56 -4.394 -1.716 -4.486 1.00 0.65 H new ATOM 0 HD13 LEU A 56 -3.054 -2.533 -3.645 1.00 0.65 H new ATOM 0 HD21 LEU A 56 -1.772 0.034 -2.482 1.00 0.53 H new ATOM 0 HD22 LEU A 56 -0.874 -1.293 -3.255 1.00 0.53 H new ATOM 0 HD23 LEU A 56 -0.694 0.372 -3.857 1.00 0.53 H new ATOM 954 N SER A 57 -0.911 -1.125 -8.640 1.00 0.55 N ATOM 955 CA SER A 57 -0.072 -1.799 -9.674 1.00 0.61 C ATOM 956 C SER A 57 0.949 -0.821 -10.265 1.00 0.64 C ATOM 957 O SER A 57 2.087 -1.174 -10.505 1.00 0.69 O ATOM 958 CB SER A 57 -0.970 -2.330 -10.790 1.00 0.71 C ATOM 959 OG SER A 57 -1.390 -1.248 -11.611 1.00 1.60 O ATOM 0 H SER A 57 -1.903 -1.046 -8.866 1.00 0.55 H new ATOM 0 HA SER A 57 0.465 -2.623 -9.204 1.00 0.61 H new ATOM 0 HB2 SER A 57 -0.431 -3.066 -11.387 1.00 0.71 H new ATOM 0 HB3 SER A 57 -1.837 -2.837 -10.365 1.00 0.71 H new ATOM 0 HG SER A 57 -1.747 -0.530 -11.048 1.00 1.60 H new ATOM 965 N LEU A 58 0.562 0.403 -10.498 1.00 0.65 N ATOM 966 CA LEU A 58 1.525 1.388 -11.070 1.00 0.73 C ATOM 967 C LEU A 58 2.623 1.678 -10.049 1.00 0.69 C ATOM 968 O LEU A 58 3.775 1.861 -10.392 1.00 0.76 O ATOM 969 CB LEU A 58 0.800 2.693 -11.408 1.00 0.81 C ATOM 970 CG LEU A 58 -0.090 2.507 -12.648 1.00 0.95 C ATOM 971 CD1 LEU A 58 -1.126 3.636 -12.702 1.00 1.38 C ATOM 972 CD2 LEU A 58 0.760 2.542 -13.929 1.00 1.31 C ATOM 0 H LEU A 58 -0.375 0.763 -10.318 1.00 0.65 H new ATOM 0 HA LEU A 58 1.962 0.971 -11.977 1.00 0.73 H new ATOM 0 HB2 LEU A 58 0.192 3.009 -10.560 1.00 0.81 H new ATOM 0 HB3 LEU A 58 1.528 3.484 -11.590 1.00 0.81 H new ATOM 0 HG LEU A 58 -0.590 1.541 -12.580 1.00 0.95 H new ATOM 0 HD11 LEU A 58 -1.759 3.507 -13.580 1.00 1.38 H new ATOM 0 HD12 LEU A 58 -1.742 3.608 -11.803 1.00 1.38 H new ATOM 0 HD13 LEU A 58 -0.614 4.597 -12.761 1.00 1.38 H new ATOM 0 HD21 LEU A 58 0.115 2.409 -14.797 1.00 1.31 H new ATOM 0 HD22 LEU A 58 1.271 3.502 -14.000 1.00 1.31 H new ATOM 0 HD23 LEU A 58 1.497 1.740 -13.898 1.00 1.31 H new ATOM 984 N ASN A 59 2.272 1.736 -8.796 1.00 0.62 N ATOM 985 CA ASN A 59 3.289 2.030 -7.752 1.00 0.61 C ATOM 986 C ASN A 59 4.078 0.761 -7.433 1.00 0.56 C ATOM 987 O ASN A 59 3.565 -0.178 -6.855 1.00 0.52 O ATOM 988 CB ASN A 59 2.578 2.530 -6.495 1.00 0.64 C ATOM 989 CG ASN A 59 2.074 3.955 -6.730 1.00 0.83 C ATOM 990 OD1 ASN A 59 2.795 4.788 -7.241 1.00 1.42 O ATOM 991 ND2 ASN A 59 0.858 4.270 -6.380 1.00 1.29 N ATOM 0 H ASN A 59 1.323 1.592 -8.450 1.00 0.62 H new ATOM 0 HA ASN A 59 3.979 2.794 -8.111 1.00 0.61 H new ATOM 0 HB2 ASN A 59 1.743 1.873 -6.250 1.00 0.64 H new ATOM 0 HB3 ASN A 59 3.260 2.509 -5.645 1.00 0.64 H new ATOM 0 HD21 ASN A 59 0.512 5.217 -6.535 1.00 1.29 H new ATOM 0 HD22 ASN A 59 0.253 3.570 -5.951 1.00 1.29 H new ATOM 998 N GLU A 60 5.327 0.729 -7.810 1.00 0.62 N ATOM 999 CA GLU A 60 6.170 -0.469 -7.542 1.00 0.65 C ATOM 1000 C GLU A 60 6.850 -0.311 -6.182 1.00 0.58 C ATOM 1001 O GLU A 60 7.454 -1.231 -5.667 1.00 0.55 O ATOM 1002 CB GLU A 60 7.225 -0.589 -8.641 1.00 0.84 C ATOM 1003 CG GLU A 60 6.527 -0.839 -9.980 1.00 0.97 C ATOM 1004 CD GLU A 60 7.568 -0.879 -11.100 1.00 1.52 C ATOM 1005 OE1 GLU A 60 7.909 0.180 -11.601 1.00 2.02 O ATOM 1006 OE2 GLU A 60 8.004 -1.967 -11.440 1.00 2.17 O ATOM 0 H GLU A 60 5.803 1.489 -8.296 1.00 0.62 H new ATOM 0 HA GLU A 60 5.553 -1.368 -7.532 1.00 0.65 H new ATOM 0 HB2 GLU A 60 7.820 0.323 -8.692 1.00 0.84 H new ATOM 0 HB3 GLU A 60 7.911 -1.406 -8.416 1.00 0.84 H new ATOM 0 HG2 GLU A 60 5.978 -1.780 -9.946 1.00 0.97 H new ATOM 0 HG3 GLU A 60 5.798 -0.052 -10.175 1.00 0.97 H new ATOM 1013 N CYS A 61 6.742 0.846 -5.589 1.00 0.62 N ATOM 1014 CA CYS A 61 7.367 1.056 -4.255 1.00 0.65 C ATOM 1015 C CYS A 61 6.748 0.053 -3.285 1.00 0.53 C ATOM 1016 O CYS A 61 7.423 -0.532 -2.462 1.00 0.57 O ATOM 1017 CB CYS A 61 7.090 2.480 -3.768 1.00 0.78 C ATOM 1018 SG CYS A 61 8.030 3.657 -4.771 1.00 1.56 S ATOM 0 H CYS A 61 6.249 1.653 -5.971 1.00 0.62 H new ATOM 0 HA CYS A 61 8.446 0.914 -4.316 1.00 0.65 H new ATOM 0 HB2 CYS A 61 6.024 2.698 -3.837 1.00 0.78 H new ATOM 0 HB3 CYS A 61 7.368 2.577 -2.719 1.00 0.78 H new ATOM 0 HG CYS A 61 7.792 4.866 -4.358 1.00 1.56 H new ATOM 1024 N PHE A 62 5.466 -0.162 -3.392 1.00 0.46 N ATOM 1025 CA PHE A 62 4.803 -1.145 -2.495 1.00 0.40 C ATOM 1026 C PHE A 62 5.086 -2.545 -3.043 1.00 0.44 C ATOM 1027 O PHE A 62 4.851 -2.820 -4.203 1.00 0.55 O ATOM 1028 CB PHE A 62 3.289 -0.907 -2.496 1.00 0.44 C ATOM 1029 CG PHE A 62 2.998 0.567 -2.330 1.00 0.40 C ATOM 1030 CD1 PHE A 62 3.333 1.222 -1.139 1.00 1.29 C ATOM 1031 CD2 PHE A 62 2.385 1.281 -3.370 1.00 1.27 C ATOM 1032 CE1 PHE A 62 3.058 2.587 -0.988 1.00 1.32 C ATOM 1033 CE2 PHE A 62 2.110 2.644 -3.220 1.00 1.32 C ATOM 1034 CZ PHE A 62 2.447 3.298 -2.029 1.00 0.59 C ATOM 0 H PHE A 62 4.851 0.301 -4.061 1.00 0.46 H new ATOM 0 HA PHE A 62 5.180 -1.041 -1.478 1.00 0.40 H new ATOM 0 HB2 PHE A 62 2.856 -1.269 -3.429 1.00 0.44 H new ATOM 0 HB3 PHE A 62 2.823 -1.471 -1.688 1.00 0.44 H new ATOM 0 HD1 PHE A 62 3.804 0.674 -0.336 1.00 1.29 H new ATOM 0 HD2 PHE A 62 2.125 0.777 -4.289 1.00 1.27 H new ATOM 0 HE1 PHE A 62 3.317 3.092 -0.069 1.00 1.32 H new ATOM 0 HE2 PHE A 62 1.638 3.192 -4.022 1.00 1.32 H new ATOM 0 HZ PHE A 62 2.236 4.351 -1.913 1.00 0.59 H new ATOM 1044 N VAL A 63 5.584 -3.430 -2.224 1.00 0.46 N ATOM 1045 CA VAL A 63 5.882 -4.815 -2.698 1.00 0.55 C ATOM 1046 C VAL A 63 4.777 -5.746 -2.208 1.00 0.45 C ATOM 1047 O VAL A 63 4.467 -5.784 -1.034 1.00 0.45 O ATOM 1048 CB VAL A 63 7.223 -5.268 -2.120 1.00 0.74 C ATOM 1049 CG1 VAL A 63 7.643 -6.586 -2.773 1.00 0.85 C ATOM 1050 CG2 VAL A 63 8.282 -4.199 -2.402 1.00 0.91 C ATOM 0 H VAL A 63 5.799 -3.255 -1.242 1.00 0.46 H new ATOM 0 HA VAL A 63 5.932 -4.837 -3.787 1.00 0.55 H new ATOM 0 HB VAL A 63 7.126 -5.413 -1.044 1.00 0.74 H new ATOM 0 HG11 VAL A 63 8.599 -6.908 -2.360 1.00 0.85 H new ATOM 0 HG12 VAL A 63 6.888 -7.347 -2.576 1.00 0.85 H new ATOM 0 HG13 VAL A 63 7.742 -6.444 -3.849 1.00 0.85 H new ATOM 0 HG21 VAL A 63 9.240 -4.518 -1.991 1.00 0.91 H new ATOM 0 HG22 VAL A 63 8.378 -4.057 -3.478 1.00 0.91 H new ATOM 0 HG23 VAL A 63 7.983 -3.259 -1.937 1.00 0.91 H new ATOM 1060 N LYS A 64 4.172 -6.494 -3.096 1.00 0.53 N ATOM 1061 CA LYS A 64 3.078 -7.416 -2.673 1.00 0.56 C ATOM 1062 C LYS A 64 3.628 -8.827 -2.482 1.00 0.54 C ATOM 1063 O LYS A 64 4.106 -9.459 -3.403 1.00 0.77 O ATOM 1064 CB LYS A 64 1.968 -7.428 -3.732 1.00 0.84 C ATOM 1065 CG LYS A 64 2.576 -7.408 -5.137 1.00 0.94 C ATOM 1066 CD LYS A 64 1.470 -7.655 -6.171 1.00 1.11 C ATOM 1067 CE LYS A 64 1.911 -7.148 -7.545 1.00 1.05 C ATOM 1068 NZ LYS A 64 3.076 -7.945 -8.022 1.00 1.81 N ATOM 0 H LYS A 64 4.389 -6.505 -4.093 1.00 0.53 H new ATOM 0 HA LYS A 64 2.665 -7.066 -1.727 1.00 0.56 H new ATOM 0 HB2 LYS A 64 1.348 -8.316 -3.609 1.00 0.84 H new ATOM 0 HB3 LYS A 64 1.318 -6.564 -3.597 1.00 0.84 H new ATOM 0 HG2 LYS A 64 3.057 -6.448 -5.324 1.00 0.94 H new ATOM 0 HG3 LYS A 64 3.348 -8.173 -5.223 1.00 0.94 H new ATOM 0 HD2 LYS A 64 1.242 -8.720 -6.224 1.00 1.11 H new ATOM 0 HD3 LYS A 64 0.555 -7.148 -5.864 1.00 1.11 H new ATOM 0 HE2 LYS A 64 1.088 -7.228 -8.255 1.00 1.05 H new ATOM 0 HE3 LYS A 64 2.179 -6.093 -7.486 1.00 1.05 H new ATOM 0 HZ1 LYS A 64 3.257 -7.730 -9.023 1.00 1.81 H new ATOM 0 HZ2 LYS A 64 3.916 -7.704 -7.458 1.00 1.81 H new ATOM 0 HZ3 LYS A 64 2.869 -8.959 -7.918 1.00 1.81 H new ATOM 1082 N VAL A 65 3.543 -9.326 -1.279 1.00 0.50 N ATOM 1083 CA VAL A 65 4.034 -10.701 -0.991 1.00 0.57 C ATOM 1084 C VAL A 65 2.914 -11.692 -1.343 1.00 0.63 C ATOM 1085 O VAL A 65 1.749 -11.369 -1.230 1.00 0.84 O ATOM 1086 CB VAL A 65 4.392 -10.818 0.509 1.00 0.69 C ATOM 1087 CG1 VAL A 65 5.891 -10.567 0.720 1.00 1.28 C ATOM 1088 CG2 VAL A 65 3.594 -9.784 1.320 1.00 0.69 C ATOM 0 H VAL A 65 3.150 -8.834 -0.477 1.00 0.50 H new ATOM 0 HA VAL A 65 4.925 -10.920 -1.580 1.00 0.57 H new ATOM 0 HB VAL A 65 4.142 -11.824 0.845 1.00 0.69 H new ATOM 0 HG11 VAL A 65 6.129 -10.653 1.780 1.00 1.28 H new ATOM 0 HG12 VAL A 65 6.466 -11.304 0.159 1.00 1.28 H new ATOM 0 HG13 VAL A 65 6.145 -9.566 0.371 1.00 1.28 H new ATOM 0 HG21 VAL A 65 3.851 -9.872 2.376 1.00 0.69 H new ATOM 0 HG22 VAL A 65 3.837 -8.781 0.970 1.00 0.69 H new ATOM 0 HG23 VAL A 65 2.527 -9.965 1.190 1.00 0.69 H new ATOM 1098 N PRO A 66 3.249 -12.890 -1.755 1.00 0.81 N ATOM 1099 CA PRO A 66 2.229 -13.918 -2.109 1.00 0.96 C ATOM 1100 C PRO A 66 1.573 -14.497 -0.853 1.00 0.95 C ATOM 1101 O PRO A 66 1.515 -13.849 0.174 1.00 1.13 O ATOM 1102 CB PRO A 66 3.045 -14.979 -2.858 1.00 1.25 C ATOM 1103 CG PRO A 66 4.412 -14.884 -2.266 1.00 1.65 C ATOM 1104 CD PRO A 66 4.621 -13.405 -1.931 1.00 1.18 C ATOM 0 HA PRO A 66 1.407 -13.521 -2.704 1.00 0.96 H new ATOM 0 HB2 PRO A 66 2.622 -15.974 -2.722 1.00 1.25 H new ATOM 0 HB3 PRO A 66 3.062 -14.783 -3.930 1.00 1.25 H new ATOM 0 HG2 PRO A 66 4.495 -15.503 -1.372 1.00 1.65 H new ATOM 0 HG3 PRO A 66 5.167 -15.236 -2.968 1.00 1.65 H new ATOM 0 HD2 PRO A 66 5.215 -13.279 -1.026 1.00 1.18 H new ATOM 0 HD3 PRO A 66 5.145 -12.883 -2.732 1.00 1.18 H new ATOM 1112 N ARG A 67 1.072 -15.702 -0.924 1.00 1.01 N ATOM 1113 CA ARG A 67 0.412 -16.322 0.263 1.00 1.04 C ATOM 1114 C ARG A 67 1.331 -17.383 0.870 1.00 1.22 C ATOM 1115 O ARG A 67 2.076 -18.050 0.179 1.00 1.43 O ATOM 1116 CB ARG A 67 -0.898 -16.964 -0.183 1.00 1.12 C ATOM 1117 CG ARG A 67 -1.807 -15.883 -0.765 1.00 1.26 C ATOM 1118 CD ARG A 67 -3.120 -16.520 -1.213 1.00 1.35 C ATOM 1119 NE ARG A 67 -2.827 -17.551 -2.246 1.00 2.34 N ATOM 1120 CZ ARG A 67 -3.738 -18.425 -2.574 1.00 3.01 C ATOM 1121 NH1 ARG A 67 -4.926 -18.363 -2.037 1.00 3.04 N ATOM 1122 NH2 ARG A 67 -3.460 -19.357 -3.443 1.00 4.09 N ATOM 0 H ARG A 67 1.092 -16.287 -1.759 1.00 1.01 H new ATOM 0 HA ARG A 67 0.211 -15.560 1.016 1.00 1.04 H new ATOM 0 HB2 ARG A 67 -0.705 -17.735 -0.929 1.00 1.12 H new ATOM 0 HB3 ARG A 67 -1.385 -17.452 0.661 1.00 1.12 H new ATOM 0 HG2 ARG A 67 -1.999 -15.112 -0.019 1.00 1.26 H new ATOM 0 HG3 ARG A 67 -1.319 -15.396 -1.609 1.00 1.26 H new ATOM 0 HD2 ARG A 67 -3.629 -16.973 -0.362 1.00 1.35 H new ATOM 0 HD3 ARG A 67 -3.789 -15.760 -1.617 1.00 1.35 H new ATOM 0 HE ARG A 67 -1.913 -17.574 -2.698 1.00 2.34 H new ATOM 0 HH11 ARG A 67 -5.142 -17.631 -1.361 1.00 3.04 H new ATOM 0 HH12 ARG A 67 -5.638 -19.047 -2.294 1.00 3.04 H new ATOM 0 HH21 ARG A 67 -2.532 -19.401 -3.864 1.00 4.09 H new ATOM 0 HH22 ARG A 67 -4.170 -20.042 -3.701 1.00 4.09 H new ATOM 1136 N ASP A 68 1.291 -17.526 2.167 1.00 1.37 N ATOM 1137 CA ASP A 68 2.166 -18.522 2.852 1.00 1.69 C ATOM 1138 C ASP A 68 1.453 -19.875 2.951 1.00 1.82 C ATOM 1139 O ASP A 68 0.405 -20.084 2.370 1.00 1.72 O ATOM 1140 CB ASP A 68 2.489 -18.007 4.259 1.00 2.04 C ATOM 1141 CG ASP A 68 3.705 -18.749 4.819 1.00 2.36 C ATOM 1142 OD1 ASP A 68 4.115 -19.723 4.210 1.00 2.84 O ATOM 1143 OD2 ASP A 68 4.208 -18.325 5.846 1.00 2.80 O ATOM 0 H ASP A 68 0.684 -16.991 2.788 1.00 1.37 H new ATOM 0 HA ASP A 68 3.085 -18.654 2.280 1.00 1.69 H new ATOM 0 HB2 ASP A 68 2.689 -16.936 4.227 1.00 2.04 H new ATOM 0 HB3 ASP A 68 1.630 -18.151 4.915 1.00 2.04 H new ATOM 1148 N ASP A 69 2.022 -20.795 3.682 1.00 2.20 N ATOM 1149 CA ASP A 69 1.404 -22.143 3.834 1.00 2.51 C ATOM 1150 C ASP A 69 0.013 -22.013 4.459 1.00 2.64 C ATOM 1151 O ASP A 69 -0.917 -22.696 4.077 1.00 2.81 O ATOM 1152 CB ASP A 69 2.286 -23.002 4.745 1.00 2.99 C ATOM 1153 CG ASP A 69 3.558 -23.407 3.998 1.00 3.02 C ATOM 1154 OD1 ASP A 69 3.494 -23.534 2.786 1.00 3.02 O ATOM 1155 OD2 ASP A 69 4.574 -23.585 4.649 1.00 3.46 O ATOM 0 H ASP A 69 2.899 -20.668 4.186 1.00 2.20 H new ATOM 0 HA ASP A 69 1.315 -22.609 2.853 1.00 2.51 H new ATOM 0 HB2 ASP A 69 2.544 -22.447 5.647 1.00 2.99 H new ATOM 0 HB3 ASP A 69 1.741 -23.891 5.063 1.00 2.99 H new ATOM 1160 N LYS A 70 -0.136 -21.143 5.417 1.00 2.71 N ATOM 1161 CA LYS A 70 -1.461 -20.966 6.071 1.00 3.01 C ATOM 1162 C LYS A 70 -2.344 -20.075 5.201 1.00 2.88 C ATOM 1163 O LYS A 70 -2.821 -19.046 5.631 1.00 3.27 O ATOM 1164 CB LYS A 70 -1.270 -20.320 7.445 1.00 3.24 C ATOM 1165 CG LYS A 70 -0.604 -21.322 8.389 1.00 3.55 C ATOM 1166 CD LYS A 70 -0.410 -20.681 9.764 1.00 3.99 C ATOM 1167 CE LYS A 70 0.243 -21.692 10.710 1.00 4.15 C ATOM 1168 NZ LYS A 70 1.516 -22.185 10.115 1.00 4.50 N ATOM 0 H LYS A 70 0.607 -20.544 5.777 1.00 2.71 H new ATOM 0 HA LYS A 70 -1.940 -21.938 6.193 1.00 3.01 H new ATOM 0 HB2 LYS A 70 -0.656 -19.424 7.356 1.00 3.24 H new ATOM 0 HB3 LYS A 70 -2.233 -20.007 7.849 1.00 3.24 H new ATOM 0 HG2 LYS A 70 -1.219 -22.218 8.478 1.00 3.55 H new ATOM 0 HG3 LYS A 70 0.358 -21.635 7.983 1.00 3.55 H new ATOM 0 HD2 LYS A 70 0.214 -19.792 9.678 1.00 3.99 H new ATOM 0 HD3 LYS A 70 -1.371 -20.359 10.166 1.00 3.99 H new ATOM 0 HE2 LYS A 70 0.438 -21.227 11.676 1.00 4.15 H new ATOM 0 HE3 LYS A 70 -0.434 -22.527 10.889 1.00 4.15 H new ATOM 0 HZ1 LYS A 70 2.216 -22.335 10.869 1.00 4.50 H new ATOM 0 HZ2 LYS A 70 1.343 -23.083 9.620 1.00 4.50 H new ATOM 0 HZ3 LYS A 70 1.879 -21.482 9.440 1.00 4.50 H new ATOM 1182 N LYS A 71 -2.555 -20.470 3.977 1.00 2.51 N ATOM 1183 CA LYS A 71 -3.404 -19.656 3.056 1.00 2.52 C ATOM 1184 C LYS A 71 -4.896 -19.945 3.329 1.00 2.41 C ATOM 1185 O LYS A 71 -5.355 -21.048 3.107 1.00 2.53 O ATOM 1186 CB LYS A 71 -3.069 -20.029 1.604 1.00 2.71 C ATOM 1187 CG LYS A 71 -2.819 -21.539 1.485 1.00 3.18 C ATOM 1188 CD LYS A 71 -2.789 -21.966 0.009 1.00 3.84 C ATOM 1189 CE LYS A 71 -1.423 -21.655 -0.615 1.00 4.55 C ATOM 1190 NZ LYS A 71 -1.264 -20.182 -0.774 1.00 5.12 N ATOM 0 H LYS A 71 -2.175 -21.325 3.571 1.00 2.51 H new ATOM 0 HA LYS A 71 -3.209 -18.596 3.221 1.00 2.52 H new ATOM 0 HB2 LYS A 71 -3.889 -19.737 0.948 1.00 2.71 H new ATOM 0 HB3 LYS A 71 -2.186 -19.480 1.275 1.00 2.71 H new ATOM 0 HG2 LYS A 71 -1.874 -21.796 1.963 1.00 3.18 H new ATOM 0 HG3 LYS A 71 -3.601 -22.086 2.012 1.00 3.18 H new ATOM 0 HD2 LYS A 71 -2.997 -23.033 -0.071 1.00 3.84 H new ATOM 0 HD3 LYS A 71 -3.573 -21.446 -0.542 1.00 3.84 H new ATOM 0 HE2 LYS A 71 -0.627 -22.050 0.016 1.00 4.55 H new ATOM 0 HE3 LYS A 71 -1.335 -22.146 -1.584 1.00 4.55 H new ATOM 0 HZ1 LYS A 71 -0.785 -19.980 -1.674 1.00 5.12 H new ATOM 0 HZ2 LYS A 71 -2.200 -19.729 -0.771 1.00 5.12 H new ATOM 0 HZ3 LYS A 71 -0.696 -19.807 0.012 1.00 5.12 H new ATOM 1204 N PRO A 72 -5.666 -18.986 3.801 1.00 2.64 N ATOM 1205 CA PRO A 72 -7.114 -19.203 4.082 1.00 2.88 C ATOM 1206 C PRO A 72 -7.997 -18.972 2.853 1.00 2.93 C ATOM 1207 O PRO A 72 -9.210 -18.989 2.931 1.00 3.55 O ATOM 1208 CB PRO A 72 -7.405 -18.160 5.156 1.00 3.42 C ATOM 1209 CG PRO A 72 -6.528 -17.003 4.792 1.00 3.63 C ATOM 1210 CD PRO A 72 -5.272 -17.600 4.137 1.00 3.15 C ATOM 0 HA PRO A 72 -7.327 -20.229 4.382 1.00 2.88 H new ATOM 0 HB2 PRO A 72 -8.457 -17.876 5.160 1.00 3.42 H new ATOM 0 HB3 PRO A 72 -7.173 -18.538 6.152 1.00 3.42 H new ATOM 0 HG2 PRO A 72 -7.040 -16.328 4.106 1.00 3.63 H new ATOM 0 HG3 PRO A 72 -6.266 -16.421 5.676 1.00 3.63 H new ATOM 0 HD2 PRO A 72 -4.982 -17.041 3.247 1.00 3.15 H new ATOM 0 HD3 PRO A 72 -4.420 -17.581 4.817 1.00 3.15 H new ATOM 1218 N GLY A 73 -7.394 -18.756 1.722 1.00 2.75 N ATOM 1219 CA GLY A 73 -8.184 -18.524 0.475 1.00 3.15 C ATOM 1220 C GLY A 73 -8.462 -17.027 0.304 1.00 2.55 C ATOM 1221 O GLY A 73 -9.589 -16.583 0.395 1.00 2.83 O ATOM 0 H GLY A 73 -6.381 -18.729 1.602 1.00 2.75 H new ATOM 0 HA2 GLY A 73 -7.636 -18.902 -0.388 1.00 3.15 H new ATOM 0 HA3 GLY A 73 -9.124 -19.074 0.522 1.00 3.15 H new ATOM 1225 N LYS A 74 -7.442 -16.244 0.063 1.00 2.13 N ATOM 1226 CA LYS A 74 -7.638 -14.770 -0.109 1.00 1.96 C ATOM 1227 C LYS A 74 -6.714 -14.261 -1.218 1.00 1.78 C ATOM 1228 O LYS A 74 -5.954 -15.010 -1.795 1.00 2.25 O ATOM 1229 CB LYS A 74 -7.310 -14.058 1.204 1.00 2.32 C ATOM 1230 CG LYS A 74 -8.370 -14.413 2.249 1.00 2.88 C ATOM 1231 CD LYS A 74 -8.050 -13.703 3.565 1.00 3.39 C ATOM 1232 CE LYS A 74 -9.107 -14.065 4.609 1.00 4.03 C ATOM 1233 NZ LYS A 74 -10.454 -13.658 4.121 1.00 4.36 N ATOM 0 H LYS A 74 -6.477 -16.562 -0.023 1.00 2.13 H new ATOM 0 HA LYS A 74 -8.674 -14.566 -0.381 1.00 1.96 H new ATOM 0 HB2 LYS A 74 -6.322 -14.355 1.556 1.00 2.32 H new ATOM 0 HB3 LYS A 74 -7.282 -12.979 1.049 1.00 2.32 H new ATOM 0 HG2 LYS A 74 -9.358 -14.117 1.895 1.00 2.88 H new ATOM 0 HG3 LYS A 74 -8.397 -15.492 2.403 1.00 2.88 H new ATOM 0 HD2 LYS A 74 -7.061 -13.995 3.917 1.00 3.39 H new ATOM 0 HD3 LYS A 74 -8.028 -12.624 3.413 1.00 3.39 H new ATOM 0 HE2 LYS A 74 -9.088 -15.137 4.803 1.00 4.03 H new ATOM 0 HE3 LYS A 74 -8.886 -13.567 5.553 1.00 4.03 H new ATOM 0 HZ1 LYS A 74 -11.099 -13.551 4.930 1.00 4.36 H new ATOM 0 HZ2 LYS A 74 -10.381 -12.752 3.615 1.00 4.36 H new ATOM 0 HZ3 LYS A 74 -10.824 -14.386 3.477 1.00 4.36 H new ATOM 1247 N GLY A 75 -6.784 -12.996 -1.530 1.00 1.86 N ATOM 1248 CA GLY A 75 -5.918 -12.443 -2.612 1.00 2.03 C ATOM 1249 C GLY A 75 -4.460 -12.383 -2.143 1.00 1.56 C ATOM 1250 O GLY A 75 -4.080 -13.015 -1.178 1.00 1.89 O ATOM 0 H GLY A 75 -7.404 -12.320 -1.083 1.00 1.86 H new ATOM 0 HA2 GLY A 75 -5.996 -13.065 -3.504 1.00 2.03 H new ATOM 0 HA3 GLY A 75 -6.260 -11.446 -2.888 1.00 2.03 H new ATOM 1254 N SER A 76 -3.644 -11.624 -2.826 1.00 1.22 N ATOM 1255 CA SER A 76 -2.208 -11.514 -2.436 1.00 0.88 C ATOM 1256 C SER A 76 -2.074 -10.550 -1.254 1.00 0.69 C ATOM 1257 O SER A 76 -2.946 -9.744 -0.994 1.00 0.93 O ATOM 1258 CB SER A 76 -1.406 -10.981 -3.625 1.00 1.12 C ATOM 1259 OG SER A 76 -1.332 -11.987 -4.626 1.00 1.80 O ATOM 0 H SER A 76 -3.912 -11.073 -3.641 1.00 1.22 H new ATOM 0 HA SER A 76 -1.828 -12.494 -2.147 1.00 0.88 H new ATOM 0 HB2 SER A 76 -1.880 -10.085 -4.027 1.00 1.12 H new ATOM 0 HB3 SER A 76 -0.404 -10.695 -3.305 1.00 1.12 H new ATOM 0 HG SER A 76 -0.821 -11.650 -5.391 1.00 1.80 H new ATOM 1265 N TYR A 77 -0.988 -10.632 -0.532 1.00 0.60 N ATOM 1266 CA TYR A 77 -0.785 -9.732 0.643 1.00 0.46 C ATOM 1267 C TYR A 77 -0.027 -8.472 0.203 1.00 0.38 C ATOM 1268 O TYR A 77 0.940 -8.545 -0.528 1.00 0.50 O ATOM 1269 CB TYR A 77 0.031 -10.487 1.703 1.00 0.65 C ATOM 1270 CG TYR A 77 -0.866 -11.422 2.481 1.00 0.53 C ATOM 1271 CD1 TYR A 77 -1.174 -12.687 1.969 1.00 1.39 C ATOM 1272 CD2 TYR A 77 -1.383 -11.024 3.719 1.00 1.23 C ATOM 1273 CE1 TYR A 77 -2.001 -13.554 2.692 1.00 1.38 C ATOM 1274 CE2 TYR A 77 -2.211 -11.891 4.444 1.00 1.32 C ATOM 1275 CZ TYR A 77 -2.521 -13.154 3.930 1.00 0.70 C ATOM 1276 OH TYR A 77 -3.337 -14.009 4.643 1.00 0.90 O ATOM 0 H TYR A 77 -0.227 -11.288 -0.707 1.00 0.60 H new ATOM 0 HA TYR A 77 -1.748 -9.436 1.058 1.00 0.46 H new ATOM 0 HB2 TYR A 77 0.830 -11.052 1.223 1.00 0.65 H new ATOM 0 HB3 TYR A 77 0.505 -9.778 2.381 1.00 0.65 H new ATOM 0 HD1 TYR A 77 -0.773 -12.995 1.015 1.00 1.39 H new ATOM 0 HD2 TYR A 77 -1.144 -10.048 4.116 1.00 1.23 H new ATOM 0 HE1 TYR A 77 -2.238 -14.530 2.296 1.00 1.38 H new ATOM 0 HE2 TYR A 77 -2.610 -11.584 5.400 1.00 1.32 H new ATOM 0 HH TYR A 77 -3.611 -13.578 5.480 1.00 0.90 H new ATOM 1286 N TRP A 78 -0.465 -7.319 0.647 1.00 0.32 N ATOM 1287 CA TRP A 78 0.213 -6.035 0.271 1.00 0.31 C ATOM 1288 C TRP A 78 0.951 -5.466 1.488 1.00 0.32 C ATOM 1289 O TRP A 78 0.419 -5.407 2.578 1.00 0.38 O ATOM 1290 CB TRP A 78 -0.840 -5.027 -0.212 1.00 0.34 C ATOM 1291 CG TRP A 78 -1.211 -5.320 -1.633 1.00 0.34 C ATOM 1292 CD1 TRP A 78 -2.234 -6.110 -2.029 1.00 0.44 C ATOM 1293 CD2 TRP A 78 -0.574 -4.833 -2.850 1.00 0.32 C ATOM 1294 NE1 TRP A 78 -2.266 -6.140 -3.413 1.00 0.46 N ATOM 1295 CE2 TRP A 78 -1.263 -5.368 -3.966 1.00 0.38 C ATOM 1296 CE3 TRP A 78 0.522 -3.988 -3.092 1.00 0.37 C ATOM 1297 CZ2 TRP A 78 -0.874 -5.073 -5.275 1.00 0.43 C ATOM 1298 CZ3 TRP A 78 0.916 -3.689 -4.405 1.00 0.45 C ATOM 1299 CH2 TRP A 78 0.219 -4.230 -5.494 1.00 0.46 C ATOM 0 H TRP A 78 -1.272 -7.210 1.261 1.00 0.32 H new ATOM 0 HA TRP A 78 0.931 -6.223 -0.528 1.00 0.31 H new ATOM 0 HB2 TRP A 78 -1.725 -5.080 0.422 1.00 0.34 H new ATOM 0 HB3 TRP A 78 -0.450 -4.013 -0.131 1.00 0.34 H new ATOM 0 HD1 TRP A 78 -2.915 -6.632 -1.373 1.00 0.44 H new ATOM 0 HE1 TRP A 78 -2.948 -6.668 -3.958 1.00 0.46 H new ATOM 0 HE3 TRP A 78 1.066 -3.565 -2.260 1.00 0.37 H new ATOM 0 HZ2 TRP A 78 -1.414 -5.493 -6.111 1.00 0.43 H new ATOM 0 HZ3 TRP A 78 1.761 -3.039 -4.577 1.00 0.45 H new ATOM 0 HH2 TRP A 78 0.527 -3.995 -6.502 1.00 0.46 H new ATOM 1310 N THR A 79 2.179 -5.050 1.307 1.00 0.33 N ATOM 1311 CA THR A 79 2.958 -4.491 2.451 1.00 0.37 C ATOM 1312 C THR A 79 4.026 -3.517 1.940 1.00 0.40 C ATOM 1313 O THR A 79 4.366 -3.505 0.774 1.00 0.45 O ATOM 1314 CB THR A 79 3.636 -5.640 3.201 1.00 0.49 C ATOM 1315 OG1 THR A 79 4.200 -5.150 4.409 1.00 0.55 O ATOM 1316 CG2 THR A 79 4.736 -6.255 2.330 1.00 0.56 C ATOM 0 H THR A 79 2.675 -5.074 0.416 1.00 0.33 H new ATOM 0 HA THR A 79 2.282 -3.955 3.118 1.00 0.37 H new ATOM 0 HB THR A 79 2.895 -6.406 3.430 1.00 0.49 H new ATOM 0 HG1 THR A 79 4.633 -5.886 4.890 1.00 0.55 H new ATOM 0 HG21 THR A 79 5.214 -7.072 2.871 1.00 0.56 H new ATOM 0 HG22 THR A 79 4.299 -6.637 1.408 1.00 0.56 H new ATOM 0 HG23 THR A 79 5.479 -5.494 2.091 1.00 0.56 H new ATOM 1324 N LEU A 80 4.567 -2.711 2.815 1.00 0.45 N ATOM 1325 CA LEU A 80 5.626 -1.748 2.397 1.00 0.53 C ATOM 1326 C LEU A 80 6.939 -2.518 2.241 1.00 0.74 C ATOM 1327 O LEU A 80 7.032 -3.669 2.617 1.00 1.42 O ATOM 1328 CB LEU A 80 5.787 -0.663 3.469 1.00 0.54 C ATOM 1329 CG LEU A 80 4.431 -0.011 3.762 1.00 0.63 C ATOM 1330 CD1 LEU A 80 4.600 1.056 4.846 1.00 0.86 C ATOM 1331 CD2 LEU A 80 3.873 0.642 2.490 1.00 0.81 C ATOM 0 H LEU A 80 4.320 -2.679 3.804 1.00 0.45 H new ATOM 0 HA LEU A 80 5.354 -1.273 1.454 1.00 0.53 H new ATOM 0 HB2 LEU A 80 6.195 -1.099 4.381 1.00 0.54 H new ATOM 0 HB3 LEU A 80 6.497 0.092 3.131 1.00 0.54 H new ATOM 0 HG LEU A 80 3.736 -0.778 4.105 1.00 0.63 H new ATOM 0 HD11 LEU A 80 3.636 1.519 5.054 1.00 0.86 H new ATOM 0 HD12 LEU A 80 4.984 0.593 5.755 1.00 0.86 H new ATOM 0 HD13 LEU A 80 5.301 1.816 4.502 1.00 0.86 H new ATOM 0 HD21 LEU A 80 2.910 1.102 2.710 1.00 0.81 H new ATOM 0 HD22 LEU A 80 4.567 1.405 2.138 1.00 0.81 H new ATOM 0 HD23 LEU A 80 3.745 -0.116 1.718 1.00 0.81 H new ATOM 1343 N ASP A 81 7.952 -1.908 1.682 1.00 1.02 N ATOM 1344 CA ASP A 81 9.247 -2.630 1.500 1.00 1.23 C ATOM 1345 C ASP A 81 9.604 -3.363 2.805 1.00 1.68 C ATOM 1346 O ASP A 81 9.384 -2.838 3.879 1.00 2.48 O ATOM 1347 CB ASP A 81 10.346 -1.622 1.158 1.00 2.21 C ATOM 1348 CG ASP A 81 10.318 -0.470 2.162 1.00 3.06 C ATOM 1349 OD1 ASP A 81 10.987 -0.576 3.176 1.00 3.59 O ATOM 1350 OD2 ASP A 81 9.627 0.502 1.899 1.00 3.72 O ATOM 0 H ASP A 81 7.939 -0.945 1.345 1.00 1.02 H new ATOM 0 HA ASP A 81 9.156 -3.353 0.689 1.00 1.23 H new ATOM 0 HB2 ASP A 81 11.320 -2.111 1.178 1.00 2.21 H new ATOM 0 HB3 ASP A 81 10.201 -1.240 0.147 1.00 2.21 H new ATOM 1355 N PRO A 82 10.127 -4.568 2.737 1.00 1.94 N ATOM 1356 CA PRO A 82 10.476 -5.352 3.959 1.00 2.93 C ATOM 1357 C PRO A 82 11.827 -4.949 4.554 1.00 3.37 C ATOM 1358 O PRO A 82 12.382 -3.917 4.233 1.00 3.55 O ATOM 1359 CB PRO A 82 10.539 -6.784 3.430 1.00 3.39 C ATOM 1360 CG PRO A 82 11.074 -6.628 2.047 1.00 3.08 C ATOM 1361 CD PRO A 82 10.458 -5.330 1.513 1.00 2.16 C ATOM 0 HA PRO A 82 9.759 -5.197 4.765 1.00 2.93 H new ATOM 0 HB2 PRO A 82 11.189 -7.409 4.043 1.00 3.39 H new ATOM 0 HB3 PRO A 82 9.555 -7.254 3.428 1.00 3.39 H new ATOM 0 HG2 PRO A 82 12.163 -6.573 2.051 1.00 3.08 H new ATOM 0 HG3 PRO A 82 10.800 -7.478 1.422 1.00 3.08 H new ATOM 0 HD2 PRO A 82 11.158 -4.786 0.880 1.00 2.16 H new ATOM 0 HD3 PRO A 82 9.570 -5.526 0.911 1.00 2.16 H new ATOM 1369 N ASP A 83 12.366 -5.779 5.404 1.00 3.97 N ATOM 1370 CA ASP A 83 13.692 -5.487 6.012 1.00 4.69 C ATOM 1371 C ASP A 83 14.761 -6.092 5.106 1.00 4.54 C ATOM 1372 O ASP A 83 15.369 -7.096 5.419 1.00 5.25 O ATOM 1373 CB ASP A 83 13.768 -6.119 7.403 1.00 5.64 C ATOM 1374 CG ASP A 83 12.836 -5.369 8.356 1.00 6.30 C ATOM 1375 OD1 ASP A 83 12.490 -4.240 8.048 1.00 6.58 O ATOM 1376 OD2 ASP A 83 12.483 -5.935 9.378 1.00 6.82 O ATOM 0 H ASP A 83 11.939 -6.655 5.705 1.00 3.97 H new ATOM 0 HA ASP A 83 13.843 -4.412 6.111 1.00 4.69 H new ATOM 0 HB2 ASP A 83 13.484 -7.170 7.352 1.00 5.64 H new ATOM 0 HB3 ASP A 83 14.792 -6.083 7.775 1.00 5.64 H new ATOM 1381 N SER A 84 14.976 -5.489 3.972 1.00 3.92 N ATOM 1382 CA SER A 84 15.982 -6.018 3.015 1.00 4.33 C ATOM 1383 C SER A 84 17.361 -6.039 3.676 1.00 5.33 C ATOM 1384 O SER A 84 18.156 -6.928 3.455 1.00 6.00 O ATOM 1385 CB SER A 84 16.018 -5.119 1.782 1.00 4.14 C ATOM 1386 OG SER A 84 17.061 -5.548 0.919 1.00 4.59 O ATOM 0 H SER A 84 14.493 -4.645 3.665 1.00 3.92 H new ATOM 0 HA SER A 84 15.712 -7.033 2.722 1.00 4.33 H new ATOM 0 HB2 SER A 84 15.061 -5.157 1.262 1.00 4.14 H new ATOM 0 HB3 SER A 84 16.179 -4.082 2.078 1.00 4.14 H new ATOM 0 HG SER A 84 17.086 -4.974 0.125 1.00 4.59 H new ATOM 1392 N TYR A 85 17.653 -5.057 4.478 1.00 5.76 N ATOM 1393 CA TYR A 85 18.980 -5.008 5.150 1.00 6.92 C ATOM 1394 C TYR A 85 19.172 -6.253 6.021 1.00 7.49 C ATOM 1395 O TYR A 85 20.254 -6.799 6.109 1.00 8.23 O ATOM 1396 CB TYR A 85 19.065 -3.762 6.032 1.00 7.50 C ATOM 1397 CG TYR A 85 20.416 -3.726 6.705 1.00 8.21 C ATOM 1398 CD1 TYR A 85 20.641 -4.476 7.865 1.00 8.68 C ATOM 1399 CD2 TYR A 85 21.447 -2.952 6.160 1.00 8.68 C ATOM 1400 CE1 TYR A 85 21.899 -4.451 8.481 1.00 9.56 C ATOM 1401 CE2 TYR A 85 22.704 -2.928 6.775 1.00 9.57 C ATOM 1402 CZ TYR A 85 22.930 -3.677 7.937 1.00 9.97 C ATOM 1403 OH TYR A 85 24.169 -3.653 8.542 1.00 11.00 O ATOM 0 H TYR A 85 17.027 -4.282 4.699 1.00 5.76 H new ATOM 0 HA TYR A 85 19.759 -4.974 4.389 1.00 6.92 H new ATOM 0 HB2 TYR A 85 18.920 -2.865 5.430 1.00 7.50 H new ATOM 0 HB3 TYR A 85 18.272 -3.776 6.780 1.00 7.50 H new ATOM 0 HD1 TYR A 85 19.845 -5.074 8.285 1.00 8.68 H new ATOM 0 HD2 TYR A 85 21.273 -2.373 5.265 1.00 8.68 H new ATOM 0 HE1 TYR A 85 22.073 -5.029 9.376 1.00 9.56 H new ATOM 0 HE2 TYR A 85 23.500 -2.332 6.354 1.00 9.57 H new ATOM 0 HH TYR A 85 24.769 -3.067 8.035 1.00 11.00 H new ATOM 1413 N ASN A 86 18.138 -6.690 6.688 1.00 7.43 N ATOM 1414 CA ASN A 86 18.265 -7.879 7.578 1.00 8.27 C ATOM 1415 C ASN A 86 18.475 -9.141 6.749 1.00 8.09 C ATOM 1416 O ASN A 86 18.728 -10.206 7.277 1.00 8.83 O ATOM 1417 CB ASN A 86 16.994 -8.030 8.415 1.00 8.92 C ATOM 1418 CG ASN A 86 16.855 -6.839 9.366 1.00 9.54 C ATOM 1419 OD1 ASN A 86 17.884 -6.066 9.586 1.00 9.83 O flip ATOM 1420 ND2 ASN A 86 15.795 -6.607 9.914 1.00 10.00 N flip ATOM 0 H ASN A 86 17.208 -6.273 6.654 1.00 7.43 H new ATOM 0 HA ASN A 86 19.124 -7.737 8.233 1.00 8.27 H new ATOM 0 HB2 ASN A 86 16.123 -8.090 7.763 1.00 8.92 H new ATOM 0 HB3 ASN A 86 17.030 -8.959 8.984 1.00 8.92 H new ATOM 0 HD21 ASN A 86 14.990 -7.210 9.743 1.00 10.00 H new ATOM 0 HD22 ASN A 86 15.711 -5.810 10.544 1.00 10.00 H new ATOM 1427 N MET A 87 18.368 -9.037 5.458 1.00 7.32 N ATOM 1428 CA MET A 87 18.558 -10.244 4.606 1.00 7.47 C ATOM 1429 C MET A 87 20.051 -10.511 4.415 1.00 8.26 C ATOM 1430 O MET A 87 20.677 -9.986 3.516 1.00 8.47 O ATOM 1431 CB MET A 87 17.911 -10.031 3.238 1.00 6.75 C ATOM 1432 CG MET A 87 16.397 -9.876 3.398 1.00 6.65 C ATOM 1433 SD MET A 87 15.648 -11.505 3.657 1.00 7.12 S ATOM 1434 CE MET A 87 14.176 -11.263 2.630 1.00 7.20 C ATOM 0 H MET A 87 18.158 -8.175 4.955 1.00 7.32 H new ATOM 0 HA MET A 87 18.090 -11.096 5.099 1.00 7.47 H new ATOM 0 HB2 MET A 87 18.328 -9.143 2.763 1.00 6.75 H new ATOM 0 HB3 MET A 87 18.132 -10.876 2.586 1.00 6.75 H new ATOM 0 HG2 MET A 87 16.175 -9.223 4.242 1.00 6.65 H new ATOM 0 HG3 MET A 87 15.973 -9.406 2.511 1.00 6.65 H new ATOM 0 HE1 MET A 87 13.565 -12.166 2.651 1.00 7.20 H new ATOM 0 HE2 MET A 87 13.597 -10.424 3.016 1.00 7.20 H new ATOM 0 HE3 MET A 87 14.479 -11.054 1.604 1.00 7.20 H new ATOM 1444 N PHE A 88 20.623 -11.333 5.251 1.00 8.91 N ATOM 1445 CA PHE A 88 22.073 -11.647 5.117 1.00 9.87 C ATOM 1446 C PHE A 88 22.262 -12.697 4.017 1.00 10.04 C ATOM 1447 O PHE A 88 23.365 -12.976 3.591 1.00 10.49 O ATOM 1448 CB PHE A 88 22.618 -12.162 6.454 1.00 10.68 C ATOM 1449 CG PHE A 88 21.815 -13.349 6.927 1.00 10.96 C ATOM 1450 CD1 PHE A 88 20.690 -13.153 7.737 1.00 11.40 C ATOM 1451 CD2 PHE A 88 22.199 -14.645 6.564 1.00 11.04 C ATOM 1452 CE1 PHE A 88 19.948 -14.254 8.184 1.00 11.89 C ATOM 1453 CE2 PHE A 88 21.459 -15.746 7.012 1.00 11.55 C ATOM 1454 CZ PHE A 88 20.332 -15.550 7.822 1.00 11.97 C ATOM 0 H PHE A 88 20.148 -11.801 6.022 1.00 8.91 H new ATOM 0 HA PHE A 88 22.623 -10.746 4.845 1.00 9.87 H new ATOM 0 HB2 PHE A 88 23.665 -12.444 6.343 1.00 10.68 H new ATOM 0 HB3 PHE A 88 22.579 -11.368 7.200 1.00 10.68 H new ATOM 0 HD1 PHE A 88 20.394 -12.153 8.017 1.00 11.40 H new ATOM 0 HD2 PHE A 88 23.066 -14.796 5.938 1.00 11.04 H new ATOM 0 HE1 PHE A 88 19.080 -14.103 8.808 1.00 11.89 H new ATOM 0 HE2 PHE A 88 21.757 -16.746 6.733 1.00 11.55 H new ATOM 0 HZ PHE A 88 19.760 -16.399 8.167 1.00 11.97 H new ATOM 1464 N GLU A 89 21.185 -13.270 3.548 1.00 9.91 N ATOM 1465 CA GLU A 89 21.283 -14.292 2.466 1.00 10.34 C ATOM 1466 C GLU A 89 21.605 -13.608 1.135 1.00 10.29 C ATOM 1467 O GLU A 89 21.235 -12.474 0.904 1.00 10.13 O ATOM 1468 CB GLU A 89 19.947 -15.029 2.339 1.00 10.80 C ATOM 1469 CG GLU A 89 19.737 -15.925 3.560 1.00 11.18 C ATOM 1470 CD GLU A 89 20.721 -17.096 3.505 1.00 11.50 C ATOM 1471 OE1 GLU A 89 20.865 -17.672 2.440 1.00 11.46 O ATOM 1472 OE2 GLU A 89 21.312 -17.395 4.528 1.00 11.95 O ATOM 0 H GLU A 89 20.237 -13.073 3.870 1.00 9.91 H new ATOM 0 HA GLU A 89 22.075 -15.000 2.713 1.00 10.34 H new ATOM 0 HB2 GLU A 89 19.131 -14.311 2.257 1.00 10.80 H new ATOM 0 HB3 GLU A 89 19.936 -15.629 1.429 1.00 10.80 H new ATOM 0 HG2 GLU A 89 19.887 -15.352 4.475 1.00 11.18 H new ATOM 0 HG3 GLU A 89 18.713 -16.297 3.580 1.00 11.18 H new ATOM 1479 N ASN A 90 22.287 -14.289 0.255 1.00 10.66 N ATOM 1480 CA ASN A 90 22.624 -13.678 -1.059 1.00 10.92 C ATOM 1481 C ASN A 90 21.381 -13.670 -1.951 1.00 10.88 C ATOM 1482 O ASN A 90 20.738 -14.683 -2.145 1.00 11.22 O ATOM 1483 CB ASN A 90 23.730 -14.491 -1.736 1.00 11.73 C ATOM 1484 CG ASN A 90 24.095 -13.840 -3.071 1.00 12.01 C ATOM 1485 OD1 ASN A 90 23.878 -14.415 -4.119 1.00 12.15 O ATOM 1486 ND2 ASN A 90 24.640 -12.655 -3.077 1.00 12.32 N ATOM 0 H ASN A 90 22.625 -15.242 0.390 1.00 10.66 H new ATOM 0 HA ASN A 90 22.969 -12.656 -0.904 1.00 10.92 H new ATOM 0 HB2 ASN A 90 24.607 -14.540 -1.091 1.00 11.73 H new ATOM 0 HB3 ASN A 90 23.396 -15.516 -1.898 1.00 11.73 H new ATOM 0 HD21 ASN A 90 24.884 -12.210 -3.962 1.00 12.32 H new ATOM 0 HD22 ASN A 90 24.822 -12.173 -2.197 1.00 12.32 H new ATOM 1493 N GLY A 91 21.036 -12.535 -2.494 1.00 10.70 N ATOM 1494 CA GLY A 91 19.834 -12.461 -3.372 1.00 10.95 C ATOM 1495 C GLY A 91 18.572 -12.562 -2.515 1.00 10.92 C ATOM 1496 O GLY A 91 18.332 -13.556 -1.859 1.00 11.16 O ATOM 0 H GLY A 91 21.535 -11.655 -2.367 1.00 10.70 H new ATOM 0 HA2 GLY A 91 19.834 -11.524 -3.929 1.00 10.95 H new ATOM 0 HA3 GLY A 91 19.855 -13.268 -4.105 1.00 10.95 H new ATOM 1500 N SER A 92 17.759 -11.541 -2.522 1.00 10.86 N ATOM 1501 CA SER A 92 16.510 -11.579 -1.712 1.00 11.09 C ATOM 1502 C SER A 92 15.606 -12.691 -2.243 1.00 10.83 C ATOM 1503 O SER A 92 14.945 -13.381 -1.491 1.00 11.37 O ATOM 1504 CB SER A 92 15.788 -10.233 -1.812 1.00 11.62 C ATOM 1505 OG SER A 92 15.221 -10.098 -3.107 1.00 11.80 O ATOM 0 H SER A 92 17.906 -10.683 -3.054 1.00 10.86 H new ATOM 0 HA SER A 92 16.755 -11.772 -0.668 1.00 11.09 H new ATOM 0 HB2 SER A 92 15.008 -10.169 -1.053 1.00 11.62 H new ATOM 0 HB3 SER A 92 16.486 -9.418 -1.622 1.00 11.62 H new ATOM 0 HG SER A 92 14.757 -9.237 -3.173 1.00 11.80 H new ATOM 1511 N PHE A 93 15.574 -12.872 -3.536 1.00 10.20 N ATOM 1512 CA PHE A 93 14.717 -13.940 -4.131 1.00 10.20 C ATOM 1513 C PHE A 93 15.445 -14.570 -5.323 1.00 10.57 C ATOM 1514 O PHE A 93 16.238 -13.932 -5.988 1.00 10.63 O ATOM 1515 CB PHE A 93 13.396 -13.334 -4.606 1.00 9.65 C ATOM 1516 CG PHE A 93 12.505 -14.436 -5.126 1.00 9.86 C ATOM 1517 CD1 PHE A 93 12.557 -14.803 -6.476 1.00 10.19 C ATOM 1518 CD2 PHE A 93 11.628 -15.094 -4.254 1.00 10.01 C ATOM 1519 CE1 PHE A 93 11.734 -15.830 -6.954 1.00 10.65 C ATOM 1520 CE2 PHE A 93 10.804 -16.119 -4.733 1.00 10.47 C ATOM 1521 CZ PHE A 93 10.858 -16.488 -6.083 1.00 10.78 C ATOM 0 H PHE A 93 16.108 -12.323 -4.210 1.00 10.20 H new ATOM 0 HA PHE A 93 14.515 -14.703 -3.379 1.00 10.20 H new ATOM 0 HB2 PHE A 93 12.906 -12.810 -3.785 1.00 9.65 H new ATOM 0 HB3 PHE A 93 13.580 -12.598 -5.389 1.00 9.65 H new ATOM 0 HD1 PHE A 93 13.232 -14.294 -7.149 1.00 10.19 H new ATOM 0 HD2 PHE A 93 11.588 -14.811 -3.213 1.00 10.01 H new ATOM 0 HE1 PHE A 93 11.775 -16.114 -7.995 1.00 10.65 H new ATOM 0 HE2 PHE A 93 10.126 -16.625 -4.062 1.00 10.47 H new ATOM 0 HZ PHE A 93 10.224 -17.280 -6.452 1.00 10.78 H new ATOM 1531 N LEU A 94 15.186 -15.820 -5.592 1.00 11.03 N ATOM 1532 CA LEU A 94 15.864 -16.499 -6.734 1.00 11.62 C ATOM 1533 C LEU A 94 15.726 -15.645 -7.997 1.00 11.71 C ATOM 1534 O LEU A 94 14.750 -15.734 -8.715 1.00 11.98 O ATOM 1535 CB LEU A 94 15.211 -17.862 -6.974 1.00 12.28 C ATOM 1536 CG LEU A 94 15.334 -18.734 -5.720 1.00 12.70 C ATOM 1537 CD1 LEU A 94 14.618 -20.065 -5.967 1.00 13.06 C ATOM 1538 CD2 LEU A 94 16.813 -18.994 -5.394 1.00 13.12 C ATOM 0 H LEU A 94 14.532 -16.403 -5.069 1.00 11.03 H new ATOM 0 HA LEU A 94 16.920 -16.632 -6.499 1.00 11.62 H new ATOM 0 HB2 LEU A 94 14.160 -17.730 -7.233 1.00 12.28 H new ATOM 0 HB3 LEU A 94 15.688 -18.358 -7.819 1.00 12.28 H new ATOM 0 HG LEU A 94 14.878 -18.218 -4.875 1.00 12.70 H new ATOM 0 HD11 LEU A 94 14.700 -20.693 -5.080 1.00 13.06 H new ATOM 0 HD12 LEU A 94 13.566 -19.878 -6.183 1.00 13.06 H new ATOM 0 HD13 LEU A 94 15.077 -20.573 -6.815 1.00 13.06 H new ATOM 0 HD21 LEU A 94 16.885 -19.615 -4.501 1.00 13.12 H new ATOM 0 HD22 LEU A 94 17.285 -19.507 -6.232 1.00 13.12 H new ATOM 0 HD23 LEU A 94 17.319 -18.045 -5.218 1.00 13.12 H new TER 1550 LEU A 94