USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 675 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 LYS NZ :NH3+ 175:sc= -0.0733 (180deg=-0.162) USER MOD Set 1.2: A 48 MET CE :methyl -150:sc= -0.955 (180deg=-2.72!) USER MOD Single : A 2 SER OG : rot 156:sc= -3.55! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.77 X(o=-0.77,f=-1.1) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -29:sc= 0.227 USER MOD Single : A 19 MET CE :methyl -125:sc= -0.953 (180deg=-4.74!) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0.164 USER MOD Single : A 23 ASN : amide:sc= -0.274 X(o=-0.27,f=-0.044) USER MOD Single : A 26 LYS NZ :NH3+ -124:sc= -0.436 (180deg=-1.48!) USER MOD Single : A 28 CYS SG : rot 52:sc= 0.474 USER MOD Single : A 30 TYR OH : rot 11:sc= 1.24 USER MOD Single : A 31 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.592) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -7.18! C(o=-7.2!,f=-5.5!) USER MOD Single : A 37 THR OG1 : rot 122:sc= 1.27 USER MOD Single : A 41 CYS SG : rot 78:sc= 0.844 USER MOD Single : A 42 ASN : amide:sc= -1.19 X(o=-1.2,f=-0.73) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0115 X(o=-0.011,f=0) USER MOD Single : A 52 GLN : amide:sc= -1.81 K(o=-1.8,f=0.091) USER MOD Single : A 54 LYS NZ :NH3+ 160:sc= -0.113 (180deg=-0.507) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00752) USER MOD Single : A 61 ASN : amide:sc= -0.0624 X(o=-0.062,f=-0.16) USER MOD Single : A 66 MET CE :methyl 157:sc= -1.44 (180deg=-3.07!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 147:sc= -0.125 (180deg=-0.244) USER MOD Single : A 75 TYR OH : rot 110:sc= 0.252 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.101 X(o=0.1,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 3.880 -1.339 -2.192 1.00 53.10 N ATOM 19 CA SER A 2 5.108 -2.125 -2.175 1.00 50.45 C ATOM 20 C SER A 2 6.259 -1.346 -2.804 1.00 45.14 C ATOM 21 O SER A 2 7.263 -1.926 -3.217 1.00 62.11 O ATOM 22 CB SER A 2 4.904 -3.445 -2.920 1.00 73.32 C ATOM 23 OG SER A 2 4.695 -4.515 -2.014 1.00 52.41 O ATOM 0 HA SER A 2 5.360 -2.338 -1.136 1.00 50.45 H new ATOM 0 HB2 SER A 2 4.049 -3.360 -3.590 1.00 73.32 H new ATOM 0 HB3 SER A 2 5.775 -3.655 -3.540 1.00 73.32 H new ATOM 0 HG SER A 2 4.202 -5.233 -2.464 1.00 52.41 H new ATOM 29 N ALA A 3 6.106 -0.028 -2.874 1.00 12.34 N ATOM 30 CA ALA A 3 7.132 0.832 -3.450 1.00 24.22 C ATOM 31 C ALA A 3 8.077 1.356 -2.374 1.00 24.53 C ATOM 32 O ALA A 3 9.215 1.728 -2.661 1.00 41.10 O ATOM 33 CB ALA A 3 6.491 1.989 -4.201 1.00 1.43 C ATOM 0 H ALA A 3 5.280 0.468 -2.538 1.00 12.34 H new ATOM 0 HA ALA A 3 7.717 0.237 -4.152 1.00 24.22 H new ATOM 0 HB1 ALA A 3 7.269 2.623 -4.626 1.00 1.43 H new ATOM 0 HB2 ALA A 3 5.863 1.599 -5.002 1.00 1.43 H new ATOM 0 HB3 ALA A 3 5.881 2.575 -3.514 1.00 1.43 H new ATOM 39 N ASP A 4 7.599 1.382 -1.135 1.00 31.13 N ATOM 40 CA ASP A 4 8.402 1.860 -0.015 1.00 53.01 C ATOM 41 C ASP A 4 9.111 0.701 0.679 1.00 44.44 C ATOM 42 O ASP A 4 10.172 0.879 1.277 1.00 4.31 O ATOM 43 CB ASP A 4 7.522 2.609 0.987 1.00 5.43 C ATOM 44 CG ASP A 4 8.327 3.514 1.900 1.00 31.22 C ATOM 45 OD1 ASP A 4 9.213 4.232 1.392 1.00 24.44 O ATOM 46 OD2 ASP A 4 8.071 3.503 3.123 1.00 54.14 O ATOM 0 H ASP A 4 6.659 1.078 -0.880 1.00 31.13 H new ATOM 0 HA ASP A 4 9.157 2.542 -0.406 1.00 53.01 H new ATOM 0 HB2 ASP A 4 6.786 3.204 0.446 1.00 5.43 H new ATOM 0 HB3 ASP A 4 6.968 1.889 1.590 1.00 5.43 H new ATOM 51 N ASP A 5 8.518 -0.484 0.595 1.00 62.23 N ATOM 52 CA ASP A 5 9.093 -1.672 1.214 1.00 23.53 C ATOM 53 C ASP A 5 10.238 -2.225 0.371 1.00 4.22 C ATOM 54 O ASP A 5 10.918 -3.170 0.771 1.00 20.24 O ATOM 55 CB ASP A 5 8.020 -2.745 1.404 1.00 33.21 C ATOM 56 CG ASP A 5 7.207 -2.534 2.666 1.00 21.14 C ATOM 57 OD1 ASP A 5 7.675 -1.793 3.556 1.00 13.05 O ATOM 58 OD2 ASP A 5 6.103 -3.109 2.764 1.00 61.21 O ATOM 0 H ASP A 5 7.639 -0.648 0.104 1.00 62.23 H new ATOM 0 HA ASP A 5 9.488 -1.387 2.189 1.00 23.53 H new ATOM 0 HB2 ASP A 5 7.353 -2.745 0.542 1.00 33.21 H new ATOM 0 HB3 ASP A 5 8.494 -3.726 1.440 1.00 33.21 H new ATOM 63 N PHE A 6 10.446 -1.629 -0.799 1.00 31.25 N ATOM 64 CA PHE A 6 11.507 -2.063 -1.700 1.00 3.34 C ATOM 65 C PHE A 6 12.849 -2.113 -0.975 1.00 3.50 C ATOM 66 O PHE A 6 13.723 -2.910 -1.317 1.00 75.03 O ATOM 67 CB PHE A 6 11.599 -1.122 -2.903 1.00 64.51 C ATOM 68 CG PHE A 6 12.304 0.169 -2.602 1.00 51.40 C ATOM 69 CD1 PHE A 6 11.823 1.024 -1.623 1.00 24.13 C ATOM 70 CD2 PHE A 6 13.447 0.529 -3.298 1.00 13.22 C ATOM 71 CE1 PHE A 6 12.469 2.214 -1.344 1.00 63.44 C ATOM 72 CE2 PHE A 6 14.097 1.718 -3.023 1.00 63.55 C ATOM 73 CZ PHE A 6 13.608 2.560 -2.045 1.00 3.34 C ATOM 0 H PHE A 6 9.894 -0.844 -1.145 1.00 31.25 H new ATOM 0 HA PHE A 6 11.265 -3.067 -2.050 1.00 3.34 H new ATOM 0 HB2 PHE A 6 12.121 -1.631 -3.713 1.00 64.51 H new ATOM 0 HB3 PHE A 6 10.593 -0.902 -3.260 1.00 64.51 H new ATOM 0 HD1 PHE A 6 10.933 0.758 -1.072 1.00 24.13 H new ATOM 0 HD2 PHE A 6 13.834 -0.127 -4.064 1.00 13.22 H new ATOM 0 HE1 PHE A 6 12.084 2.872 -0.579 1.00 63.44 H new ATOM 0 HE2 PHE A 6 14.987 1.988 -3.573 1.00 63.55 H new ATOM 0 HZ PHE A 6 14.115 3.488 -1.828 1.00 3.34 H new ATOM 83 N ASP A 7 13.006 -1.255 0.027 1.00 13.31 N ATOM 84 CA ASP A 7 14.240 -1.200 0.801 1.00 24.12 C ATOM 85 C ASP A 7 14.594 -2.575 1.359 1.00 74.54 C ATOM 86 O ASP A 7 15.684 -3.092 1.118 1.00 60.32 O ATOM 87 CB ASP A 7 14.107 -0.192 1.944 1.00 40.13 C ATOM 88 CG ASP A 7 14.649 1.175 1.575 1.00 12.35 C ATOM 89 OD1 ASP A 7 15.648 1.236 0.829 1.00 72.20 O ATOM 90 OD2 ASP A 7 14.074 2.185 2.035 1.00 63.14 O ATOM 0 H ASP A 7 12.293 -0.588 0.322 1.00 13.31 H new ATOM 0 HA ASP A 7 15.042 -0.880 0.136 1.00 24.12 H new ATOM 0 HB2 ASP A 7 13.057 -0.100 2.224 1.00 40.13 H new ATOM 0 HB3 ASP A 7 14.638 -0.567 2.819 1.00 40.13 H new ATOM 95 N ALA A 8 13.664 -3.162 2.106 1.00 70.14 N ATOM 96 CA ALA A 8 13.877 -4.477 2.696 1.00 33.55 C ATOM 97 C ALA A 8 14.048 -5.542 1.618 1.00 25.35 C ATOM 98 O ALA A 8 14.528 -6.643 1.890 1.00 13.44 O ATOM 99 CB ALA A 8 12.719 -4.837 3.616 1.00 11.50 C ATOM 0 H ALA A 8 12.756 -2.747 2.316 1.00 70.14 H new ATOM 0 HA ALA A 8 14.795 -4.440 3.282 1.00 33.55 H new ATOM 0 HB1 ALA A 8 12.892 -5.822 4.050 1.00 11.50 H new ATOM 0 HB2 ALA A 8 12.644 -4.097 4.413 1.00 11.50 H new ATOM 0 HB3 ALA A 8 11.791 -4.850 3.045 1.00 11.50 H new ATOM 105 N ALA A 9 13.653 -5.208 0.394 1.00 5.45 N ATOM 106 CA ALA A 9 13.765 -6.135 -0.725 1.00 1.15 C ATOM 107 C ALA A 9 15.175 -6.128 -1.304 1.00 65.24 C ATOM 108 O ALA A 9 15.785 -7.181 -1.493 1.00 22.04 O ATOM 109 CB ALA A 9 12.748 -5.787 -1.801 1.00 60.44 C ATOM 0 H ALA A 9 13.252 -4.302 0.152 1.00 5.45 H new ATOM 0 HA ALA A 9 13.558 -7.139 -0.356 1.00 1.15 H new ATOM 0 HB1 ALA A 9 12.842 -6.487 -2.631 1.00 60.44 H new ATOM 0 HB2 ALA A 9 11.742 -5.851 -1.385 1.00 60.44 H new ATOM 0 HB3 ALA A 9 12.929 -4.774 -2.159 1.00 60.44 H new ATOM 115 N VAL A 10 15.689 -4.935 -1.587 1.00 13.14 N ATOM 116 CA VAL A 10 17.028 -4.791 -2.145 1.00 71.40 C ATOM 117 C VAL A 10 18.087 -5.290 -1.168 1.00 50.41 C ATOM 118 O VAL A 10 19.129 -5.804 -1.574 1.00 22.41 O ATOM 119 CB VAL A 10 17.330 -3.326 -2.509 1.00 41.41 C ATOM 120 CG1 VAL A 10 18.637 -3.225 -3.281 1.00 73.43 C ATOM 121 CG2 VAL A 10 16.182 -2.728 -3.308 1.00 52.11 C ATOM 0 H VAL A 10 15.197 -4.054 -1.439 1.00 13.14 H new ATOM 0 HA VAL A 10 17.060 -5.396 -3.051 1.00 71.40 H new ATOM 0 HB VAL A 10 17.436 -2.756 -1.586 1.00 41.41 H new ATOM 0 HG11 VAL A 10 18.833 -2.182 -3.529 1.00 73.43 H new ATOM 0 HG12 VAL A 10 19.452 -3.612 -2.669 1.00 73.43 H new ATOM 0 HG13 VAL A 10 18.564 -3.809 -4.199 1.00 73.43 H new ATOM 0 HG21 VAL A 10 16.413 -1.692 -3.557 1.00 52.11 H new ATOM 0 HG22 VAL A 10 16.041 -3.299 -4.226 1.00 52.11 H new ATOM 0 HG23 VAL A 10 15.268 -2.764 -2.715 1.00 52.11 H new ATOM 131 N LYS A 11 17.813 -5.134 0.123 1.00 43.33 N ATOM 132 CA LYS A 11 18.741 -5.569 1.160 1.00 31.00 C ATOM 133 C LYS A 11 18.748 -7.090 1.281 1.00 54.43 C ATOM 134 O LYS A 11 19.748 -7.686 1.681 1.00 13.32 O ATOM 135 CB LYS A 11 18.366 -4.942 2.505 1.00 53.35 C ATOM 136 CG LYS A 11 18.898 -3.531 2.687 1.00 21.03 C ATOM 137 CD LYS A 11 20.303 -3.536 3.266 1.00 0.11 C ATOM 138 CE LYS A 11 20.816 -2.123 3.496 1.00 11.43 C ATOM 139 NZ LYS A 11 21.969 -2.098 4.438 1.00 44.41 N ATOM 0 H LYS A 11 16.955 -4.709 0.476 1.00 43.33 H new ATOM 0 HA LYS A 11 19.741 -5.240 0.879 1.00 31.00 H new ATOM 0 HB2 LYS A 11 17.280 -4.927 2.599 1.00 53.35 H new ATOM 0 HB3 LYS A 11 18.747 -5.572 3.309 1.00 53.35 H new ATOM 0 HG2 LYS A 11 18.901 -3.015 1.727 1.00 21.03 H new ATOM 0 HG3 LYS A 11 18.234 -2.973 3.346 1.00 21.03 H new ATOM 0 HD2 LYS A 11 20.307 -4.084 4.208 1.00 0.11 H new ATOM 0 HD3 LYS A 11 20.975 -4.062 2.588 1.00 0.11 H new ATOM 0 HE2 LYS A 11 21.116 -1.686 2.544 1.00 11.43 H new ATOM 0 HE3 LYS A 11 20.011 -1.504 3.891 1.00 11.43 H new ATOM 0 HZ1 LYS A 11 22.289 -1.117 4.568 1.00 44.41 H new ATOM 0 HZ2 LYS A 11 21.677 -2.492 5.355 1.00 44.41 H new ATOM 0 HZ3 LYS A 11 22.747 -2.668 4.049 1.00 44.41 H new ATOM 153 N TYR A 12 17.627 -7.711 0.931 1.00 70.01 N ATOM 154 CA TYR A 12 17.504 -9.162 1.001 1.00 31.21 C ATOM 155 C TYR A 12 18.122 -9.821 -0.228 1.00 24.51 C ATOM 156 O TYR A 12 18.557 -10.972 -0.177 1.00 63.11 O ATOM 157 CB TYR A 12 16.033 -9.565 1.124 1.00 4.01 C ATOM 158 CG TYR A 12 15.826 -10.902 1.799 1.00 2.13 C ATOM 159 CD1 TYR A 12 16.093 -12.089 1.129 1.00 25.41 C ATOM 160 CD2 TYR A 12 15.362 -10.978 3.107 1.00 43.24 C ATOM 161 CE1 TYR A 12 15.905 -13.313 1.742 1.00 60.35 C ATOM 162 CE2 TYR A 12 15.172 -12.197 3.728 1.00 63.15 C ATOM 163 CZ TYR A 12 15.445 -13.362 3.041 1.00 52.11 C ATOM 164 OH TYR A 12 15.256 -14.579 3.655 1.00 15.54 O ATOM 0 H TYR A 12 16.791 -7.232 0.596 1.00 70.01 H new ATOM 0 HA TYR A 12 18.043 -9.505 1.884 1.00 31.21 H new ATOM 0 HB2 TYR A 12 15.500 -8.798 1.686 1.00 4.01 H new ATOM 0 HB3 TYR A 12 15.589 -9.597 0.129 1.00 4.01 H new ATOM 0 HD1 TYR A 12 16.454 -12.055 0.112 1.00 25.41 H new ATOM 0 HD2 TYR A 12 15.146 -10.068 3.647 1.00 43.24 H new ATOM 0 HE1 TYR A 12 16.117 -14.227 1.206 1.00 60.35 H new ATOM 0 HE2 TYR A 12 14.812 -12.238 4.745 1.00 63.15 H new ATOM 0 HH TYR A 12 14.930 -14.438 4.568 1.00 15.54 H new ATOM 174 N VAL A 13 18.159 -9.083 -1.332 1.00 55.24 N ATOM 175 CA VAL A 13 18.725 -9.593 -2.575 1.00 71.22 C ATOM 176 C VAL A 13 20.194 -9.208 -2.709 1.00 11.13 C ATOM 177 O VAL A 13 20.980 -9.923 -3.331 1.00 13.44 O ATOM 178 CB VAL A 13 17.954 -9.067 -3.801 1.00 22.42 C ATOM 179 CG1 VAL A 13 18.698 -9.405 -5.084 1.00 53.32 C ATOM 180 CG2 VAL A 13 16.544 -9.636 -3.827 1.00 34.32 C ATOM 0 H VAL A 13 17.803 -8.129 -1.391 1.00 55.24 H new ATOM 0 HA VAL A 13 18.639 -10.679 -2.539 1.00 71.22 H new ATOM 0 HB VAL A 13 17.882 -7.982 -3.726 1.00 22.42 H new ATOM 0 HG11 VAL A 13 18.139 -9.026 -5.939 1.00 53.32 H new ATOM 0 HG12 VAL A 13 19.686 -8.945 -5.064 1.00 53.32 H new ATOM 0 HG13 VAL A 13 18.803 -10.487 -5.170 1.00 53.32 H new ATOM 0 HG21 VAL A 13 16.014 -9.254 -4.699 1.00 34.32 H new ATOM 0 HG22 VAL A 13 16.591 -10.724 -3.879 1.00 34.32 H new ATOM 0 HG23 VAL A 13 16.015 -9.339 -2.922 1.00 34.32 H new ATOM 190 N SER A 14 20.558 -8.073 -2.120 1.00 23.21 N ATOM 191 CA SER A 14 21.933 -7.590 -2.176 1.00 21.34 C ATOM 192 C SER A 14 22.797 -8.288 -1.129 1.00 72.45 C ATOM 193 O SER A 14 23.993 -8.492 -1.332 1.00 0.31 O ATOM 194 CB SER A 14 21.973 -6.076 -1.959 1.00 24.40 C ATOM 195 OG SER A 14 23.272 -5.562 -2.196 1.00 3.31 O ATOM 0 H SER A 14 19.920 -7.471 -1.599 1.00 23.21 H new ATOM 0 HA SER A 14 22.333 -7.819 -3.164 1.00 21.34 H new ATOM 0 HB2 SER A 14 21.259 -5.591 -2.625 1.00 24.40 H new ATOM 0 HB3 SER A 14 21.667 -5.843 -0.939 1.00 24.40 H new ATOM 0 HG SER A 14 23.271 -4.593 -2.052 1.00 3.31 H new ATOM 201 N ASN A 15 22.180 -8.653 -0.010 1.00 3.22 N ATOM 202 CA ASN A 15 22.892 -9.328 1.070 1.00 52.34 C ATOM 203 C ASN A 15 22.737 -10.842 0.960 1.00 43.41 C ATOM 204 O ASN A 15 23.704 -11.589 1.116 1.00 54.00 O ATOM 205 CB ASN A 15 22.375 -8.848 2.427 1.00 33.14 C ATOM 206 CG ASN A 15 22.501 -7.346 2.596 1.00 33.34 C ATOM 207 OD1 ASN A 15 23.353 -6.710 1.976 1.00 31.03 O ATOM 208 ND2 ASN A 15 21.650 -6.773 3.440 1.00 41.45 N ATOM 0 H ASN A 15 21.189 -8.493 0.173 1.00 3.22 H new ATOM 0 HA ASN A 15 23.950 -9.082 0.984 1.00 52.34 H new ATOM 0 HB2 ASN A 15 21.330 -9.137 2.537 1.00 33.14 H new ATOM 0 HB3 ASN A 15 22.929 -9.348 3.221 1.00 33.14 H new ATOM 0 HD21 ASN A 15 21.687 -5.766 3.596 1.00 41.45 H new ATOM 0 HD22 ASN A 15 20.960 -7.340 3.932 1.00 41.45 H new ATOM 215 N THR A 16 21.515 -11.288 0.690 1.00 74.25 N ATOM 216 CA THR A 16 21.233 -12.712 0.559 1.00 35.12 C ATOM 217 C THR A 16 20.993 -13.094 -0.897 1.00 33.11 C ATOM 218 O THR A 16 20.063 -12.599 -1.535 1.00 42.31 O ATOM 219 CB THR A 16 20.004 -13.120 1.394 1.00 21.22 C ATOM 220 OG1 THR A 16 20.418 -13.554 2.695 1.00 52.14 O ATOM 221 CG2 THR A 16 19.227 -14.233 0.706 1.00 5.32 C ATOM 0 H THR A 16 20.704 -10.684 0.558 1.00 74.25 H new ATOM 0 HA THR A 16 22.109 -13.243 0.931 1.00 35.12 H new ATOM 0 HB THR A 16 19.353 -12.251 1.491 1.00 21.22 H new ATOM 0 HG1 THR A 16 19.631 -13.810 3.220 1.00 52.14 H new ATOM 0 HG21 THR A 16 18.364 -14.504 1.314 1.00 5.32 H new ATOM 0 HG22 THR A 16 18.888 -13.890 -0.272 1.00 5.32 H new ATOM 0 HG23 THR A 16 19.871 -15.103 0.582 1.00 5.32 H new ATOM 229 N THR A 17 21.836 -13.979 -1.418 1.00 64.35 N ATOM 230 CA THR A 17 21.716 -14.428 -2.800 1.00 42.30 C ATOM 231 C THR A 17 21.869 -15.941 -2.902 1.00 41.12 C ATOM 232 O THR A 17 21.941 -16.496 -3.999 1.00 51.02 O ATOM 233 CB THR A 17 22.768 -13.755 -3.702 1.00 53.24 C ATOM 234 OG1 THR A 17 24.059 -14.323 -3.458 1.00 70.41 O ATOM 235 CG2 THR A 17 22.813 -12.255 -3.454 1.00 44.43 C ATOM 0 H THR A 17 22.610 -14.400 -0.904 1.00 64.35 H new ATOM 0 HA THR A 17 20.720 -14.143 -3.140 1.00 42.30 H new ATOM 0 HB THR A 17 22.487 -13.927 -4.741 1.00 53.24 H new ATOM 0 HG1 THR A 17 24.721 -13.891 -4.037 1.00 70.41 H new ATOM 0 HG21 THR A 17 23.563 -11.801 -4.102 1.00 44.43 H new ATOM 0 HG22 THR A 17 21.837 -11.821 -3.670 1.00 44.43 H new ATOM 0 HG23 THR A 17 23.072 -12.066 -2.412 1.00 44.43 H new ATOM 243 N THR A 18 21.918 -16.605 -1.752 1.00 33.43 N ATOM 244 CA THR A 18 22.062 -18.055 -1.712 1.00 25.02 C ATOM 245 C THR A 18 20.717 -18.747 -1.899 1.00 63.23 C ATOM 246 O THR A 18 20.655 -19.960 -2.097 1.00 23.32 O ATOM 247 CB THR A 18 22.686 -18.521 -0.383 1.00 11.04 C ATOM 248 OG1 THR A 18 23.021 -19.911 -0.459 1.00 43.05 O ATOM 249 CG2 THR A 18 21.727 -18.289 0.776 1.00 44.34 C ATOM 0 H THR A 18 21.860 -16.162 -0.835 1.00 33.43 H new ATOM 0 HA THR A 18 22.725 -18.329 -2.532 1.00 25.02 H new ATOM 0 HB THR A 18 23.591 -17.939 -0.209 1.00 11.04 H new ATOM 0 HG1 THR A 18 22.408 -20.362 -1.077 1.00 43.05 H new ATOM 0 HG21 THR A 18 22.189 -18.626 1.704 1.00 44.34 H new ATOM 0 HG22 THR A 18 21.496 -17.226 0.850 1.00 44.34 H new ATOM 0 HG23 THR A 18 20.807 -18.849 0.605 1.00 44.34 H new ATOM 257 N MET A 19 19.642 -17.968 -1.837 1.00 24.22 N ATOM 258 CA MET A 19 18.298 -18.508 -2.002 1.00 14.51 C ATOM 259 C MET A 19 18.126 -19.127 -3.385 1.00 64.21 C ATOM 260 O MET A 19 18.796 -18.733 -4.339 1.00 42.31 O ATOM 261 CB MET A 19 17.255 -17.408 -1.790 1.00 34.40 C ATOM 262 CG MET A 19 17.163 -16.427 -2.947 1.00 12.32 C ATOM 263 SD MET A 19 17.352 -14.713 -2.420 1.00 12.31 S ATOM 264 CE MET A 19 17.567 -13.895 -3.999 1.00 13.22 C ATOM 0 H MET A 19 19.676 -16.962 -1.674 1.00 24.22 H new ATOM 0 HA MET A 19 18.152 -19.288 -1.254 1.00 14.51 H new ATOM 0 HB2 MET A 19 16.279 -17.869 -1.636 1.00 34.40 H new ATOM 0 HB3 MET A 19 17.496 -16.861 -0.879 1.00 34.40 H new ATOM 0 HG2 MET A 19 17.933 -16.664 -3.682 1.00 12.32 H new ATOM 0 HG3 MET A 19 16.200 -16.546 -3.444 1.00 12.32 H new ATOM 0 HE1 MET A 19 18.493 -13.319 -3.988 1.00 13.22 H new ATOM 0 HE2 MET A 19 17.613 -14.641 -4.792 1.00 13.22 H new ATOM 0 HE3 MET A 19 16.726 -13.226 -4.180 1.00 13.22 H new ATOM 274 N MET A 20 17.226 -20.099 -3.486 1.00 32.41 N ATOM 275 CA MET A 20 16.967 -20.772 -4.753 1.00 71.44 C ATOM 276 C MET A 20 16.465 -19.784 -5.801 1.00 41.12 C ATOM 277 O MET A 20 15.283 -19.445 -5.832 1.00 75.11 O ATOM 278 CB MET A 20 15.943 -21.893 -4.561 1.00 1.23 C ATOM 279 CG MET A 20 16.558 -23.207 -4.108 1.00 44.00 C ATOM 280 SD MET A 20 17.250 -24.157 -5.475 1.00 65.32 S ATOM 281 CE MET A 20 16.025 -25.453 -5.642 1.00 13.42 C ATOM 0 H MET A 20 16.664 -20.438 -2.706 1.00 32.41 H new ATOM 0 HA MET A 20 17.905 -21.203 -5.104 1.00 71.44 H new ATOM 0 HB2 MET A 20 15.203 -21.576 -3.827 1.00 1.23 H new ATOM 0 HB3 MET A 20 15.413 -22.054 -5.500 1.00 1.23 H new ATOM 0 HG2 MET A 20 17.342 -23.004 -3.378 1.00 44.00 H new ATOM 0 HG3 MET A 20 15.799 -23.804 -3.603 1.00 44.00 H new ATOM 0 HE1 MET A 20 16.313 -26.124 -6.451 1.00 13.42 H new ATOM 0 HE2 MET A 20 15.960 -26.015 -4.710 1.00 13.42 H new ATOM 0 HE3 MET A 20 15.055 -25.010 -5.867 1.00 13.42 H new ATOM 291 N ALA A 21 17.372 -19.325 -6.658 1.00 11.15 N ATOM 292 CA ALA A 21 17.020 -18.377 -7.707 1.00 43.14 C ATOM 293 C ALA A 21 17.430 -18.901 -9.080 1.00 13.33 C ATOM 294 O ALA A 21 18.432 -19.603 -9.213 1.00 51.10 O ATOM 295 CB ALA A 21 17.671 -17.028 -7.440 1.00 12.33 C ATOM 0 H ALA A 21 18.356 -19.595 -6.646 1.00 11.15 H new ATOM 0 HA ALA A 21 15.937 -18.253 -7.702 1.00 43.14 H new ATOM 0 HB1 ALA A 21 17.399 -16.330 -8.232 1.00 12.33 H new ATOM 0 HB2 ALA A 21 17.326 -16.641 -6.481 1.00 12.33 H new ATOM 0 HB3 ALA A 21 18.754 -17.145 -7.416 1.00 12.33 H new ATOM 301 N SER A 22 16.647 -18.555 -10.097 1.00 64.34 N ATOM 302 CA SER A 22 16.926 -18.995 -11.459 1.00 45.15 C ATOM 303 C SER A 22 17.956 -18.085 -12.124 1.00 33.33 C ATOM 304 O SER A 22 18.545 -17.221 -11.477 1.00 25.13 O ATOM 305 CB SER A 22 15.639 -19.015 -12.285 1.00 72.23 C ATOM 306 OG SER A 22 15.771 -19.859 -13.416 1.00 44.21 O ATOM 0 H SER A 22 15.815 -17.972 -10.004 1.00 64.34 H new ATOM 0 HA SER A 22 17.335 -20.004 -11.412 1.00 45.15 H new ATOM 0 HB2 SER A 22 14.811 -19.359 -11.665 1.00 72.23 H new ATOM 0 HB3 SER A 22 15.396 -18.003 -12.609 1.00 72.23 H new ATOM 0 HG SER A 22 14.934 -19.856 -13.926 1.00 44.21 H new ATOM 312 N ASN A 23 18.165 -18.288 -13.420 1.00 45.34 N ATOM 313 CA ASN A 23 19.124 -17.487 -14.174 1.00 13.22 C ATOM 314 C ASN A 23 18.446 -16.268 -14.792 1.00 44.34 C ATOM 315 O ASN A 23 19.092 -15.253 -15.057 1.00 22.44 O ATOM 316 CB ASN A 23 19.777 -18.332 -15.269 1.00 73.12 C ATOM 317 CG ASN A 23 20.893 -19.209 -14.735 1.00 10.41 C ATOM 318 OD1 ASN A 23 20.908 -20.419 -14.959 1.00 20.13 O ATOM 319 ND2 ASN A 23 21.835 -18.599 -14.024 1.00 33.30 N ATOM 0 H ASN A 23 17.684 -18.999 -13.970 1.00 45.34 H new ATOM 0 HA ASN A 23 19.894 -17.142 -13.484 1.00 13.22 H new ATOM 0 HB2 ASN A 23 19.020 -18.959 -15.740 1.00 73.12 H new ATOM 0 HB3 ASN A 23 20.174 -17.675 -16.043 1.00 73.12 H new ATOM 0 HD21 ASN A 23 22.612 -19.137 -13.639 1.00 33.30 H new ATOM 0 HD22 ASN A 23 21.782 -17.593 -13.864 1.00 33.30 H new ATOM 326 N ASP A 24 17.142 -16.375 -15.020 1.00 40.50 N ATOM 327 CA ASP A 24 16.376 -15.281 -15.606 1.00 0.41 C ATOM 328 C ASP A 24 15.756 -14.408 -14.519 1.00 4.11 C ATOM 329 O ASP A 24 15.464 -13.233 -14.744 1.00 21.34 O ATOM 330 CB ASP A 24 15.281 -15.830 -16.522 1.00 43.31 C ATOM 331 CG ASP A 24 15.681 -15.799 -17.984 1.00 70.52 C ATOM 332 OD1 ASP A 24 16.013 -14.705 -18.486 1.00 70.15 O ATOM 333 OD2 ASP A 24 15.663 -16.870 -18.626 1.00 74.31 O ATOM 0 H ASP A 24 16.593 -17.208 -14.808 1.00 40.50 H new ATOM 0 HA ASP A 24 17.058 -14.668 -16.195 1.00 0.41 H new ATOM 0 HB2 ASP A 24 15.050 -16.855 -16.233 1.00 43.31 H new ATOM 0 HB3 ASP A 24 14.370 -15.247 -16.385 1.00 43.31 H new ATOM 338 N ASP A 25 15.558 -14.990 -13.341 1.00 62.15 N ATOM 339 CA ASP A 25 14.973 -14.266 -12.219 1.00 42.21 C ATOM 340 C ASP A 25 15.960 -13.248 -11.655 1.00 60.15 C ATOM 341 O ASP A 25 15.577 -12.145 -11.266 1.00 35.15 O ATOM 342 CB ASP A 25 14.545 -15.242 -11.122 1.00 3.30 C ATOM 343 CG ASP A 25 13.429 -16.164 -11.571 1.00 23.42 C ATOM 344 OD1 ASP A 25 12.895 -15.954 -12.680 1.00 64.43 O ATOM 345 OD2 ASP A 25 13.090 -17.097 -10.813 1.00 63.11 O ATOM 0 H ASP A 25 15.794 -15.961 -13.139 1.00 62.15 H new ATOM 0 HA ASP A 25 14.095 -13.732 -12.582 1.00 42.21 H new ATOM 0 HB2 ASP A 25 15.404 -15.839 -10.815 1.00 3.30 H new ATOM 0 HB3 ASP A 25 14.218 -14.680 -10.247 1.00 3.30 H new ATOM 350 N LYS A 26 17.233 -13.626 -11.614 1.00 61.33 N ATOM 351 CA LYS A 26 18.276 -12.748 -11.099 1.00 4.14 C ATOM 352 C LYS A 26 18.453 -11.527 -11.996 1.00 73.33 C ATOM 353 O LYS A 26 19.090 -10.546 -11.610 1.00 34.44 O ATOM 354 CB LYS A 26 19.601 -13.507 -10.985 1.00 53.45 C ATOM 355 CG LYS A 26 19.500 -14.788 -10.176 1.00 4.20 C ATOM 356 CD LYS A 26 20.195 -14.654 -8.831 1.00 42.33 C ATOM 357 CE LYS A 26 21.700 -14.507 -8.994 1.00 3.21 C ATOM 358 NZ LYS A 26 22.144 -13.098 -8.805 1.00 53.30 N ATOM 0 H LYS A 26 17.567 -14.536 -11.932 1.00 61.33 H new ATOM 0 HA LYS A 26 17.973 -12.408 -10.109 1.00 4.14 H new ATOM 0 HB2 LYS A 26 19.960 -13.747 -11.986 1.00 53.45 H new ATOM 0 HB3 LYS A 26 20.345 -12.855 -10.527 1.00 53.45 H new ATOM 0 HG2 LYS A 26 18.451 -15.040 -10.021 1.00 4.20 H new ATOM 0 HG3 LYS A 26 19.946 -15.610 -10.737 1.00 4.20 H new ATOM 0 HD2 LYS A 26 19.799 -13.788 -8.300 1.00 42.33 H new ATOM 0 HD3 LYS A 26 19.978 -15.530 -8.219 1.00 42.33 H new ATOM 0 HE2 LYS A 26 22.208 -15.147 -8.273 1.00 3.21 H new ATOM 0 HE3 LYS A 26 21.993 -14.850 -9.986 1.00 3.21 H new ATOM 0 HZ1 LYS A 26 22.667 -12.783 -9.647 1.00 53.30 H new ATOM 0 HZ2 LYS A 26 21.313 -12.488 -8.665 1.00 53.30 H new ATOM 0 HZ3 LYS A 26 22.762 -13.038 -7.971 1.00 53.30 H new ATOM 372 N LEU A 27 17.884 -11.593 -13.195 1.00 21.20 N ATOM 373 CA LEU A 27 17.977 -10.492 -14.148 1.00 22.25 C ATOM 374 C LEU A 27 16.787 -9.549 -14.007 1.00 53.14 C ATOM 375 O LEU A 27 16.767 -8.467 -14.595 1.00 40.23 O ATOM 376 CB LEU A 27 18.049 -11.033 -15.577 1.00 15.13 C ATOM 377 CG LEU A 27 18.170 -9.986 -16.685 1.00 33.40 C ATOM 378 CD1 LEU A 27 19.126 -10.463 -17.767 1.00 24.12 C ATOM 379 CD2 LEU A 27 16.803 -9.677 -17.278 1.00 11.32 C ATOM 0 H LEU A 27 17.354 -12.397 -13.530 1.00 21.20 H new ATOM 0 HA LEU A 27 18.887 -9.933 -13.933 1.00 22.25 H new ATOM 0 HB2 LEU A 27 18.903 -11.707 -15.647 1.00 15.13 H new ATOM 0 HB3 LEU A 27 17.156 -11.629 -15.764 1.00 15.13 H new ATOM 0 HG LEU A 27 18.572 -9.070 -16.251 1.00 33.40 H new ATOM 0 HD11 LEU A 27 19.200 -9.705 -18.547 1.00 24.12 H new ATOM 0 HD12 LEU A 27 20.111 -10.634 -17.333 1.00 24.12 H new ATOM 0 HD13 LEU A 27 18.753 -11.392 -18.198 1.00 24.12 H new ATOM 0 HD21 LEU A 27 16.908 -8.930 -18.065 1.00 11.32 H new ATOM 0 HD22 LEU A 27 16.374 -10.587 -17.697 1.00 11.32 H new ATOM 0 HD23 LEU A 27 16.146 -9.292 -16.498 1.00 11.32 H new ATOM 391 N CYS A 28 15.798 -9.965 -13.224 1.00 71.13 N ATOM 392 CA CYS A 28 14.604 -9.156 -13.005 1.00 72.54 C ATOM 393 C CYS A 28 14.864 -8.073 -11.964 1.00 22.21 C ATOM 394 O CYS A 28 14.569 -6.899 -12.187 1.00 11.11 O ATOM 395 CB CYS A 28 13.439 -10.041 -12.559 1.00 15.30 C ATOM 396 SG CYS A 28 13.024 -11.360 -13.724 1.00 50.54 S ATOM 0 H CYS A 28 15.799 -10.858 -12.730 1.00 71.13 H new ATOM 0 HA CYS A 28 14.344 -8.673 -13.947 1.00 72.54 H new ATOM 0 HB2 CYS A 28 13.684 -10.487 -11.595 1.00 15.30 H new ATOM 0 HB3 CYS A 28 12.559 -9.416 -12.407 1.00 15.30 H new ATOM 0 HG CYS A 28 14.098 -12.030 -14.022 1.00 50.54 H new ATOM 402 N PHE A 29 15.418 -8.476 -10.825 1.00 15.23 N ATOM 403 CA PHE A 29 15.715 -7.540 -9.747 1.00 3.12 C ATOM 404 C PHE A 29 16.823 -6.573 -10.156 1.00 75.13 C ATOM 405 O PHE A 29 17.055 -5.562 -9.494 1.00 0.33 O ATOM 406 CB PHE A 29 16.127 -8.298 -8.483 1.00 73.42 C ATOM 407 CG PHE A 29 17.602 -8.564 -8.397 1.00 65.24 C ATOM 408 CD1 PHE A 29 18.453 -7.642 -7.809 1.00 32.34 C ATOM 409 CD2 PHE A 29 18.139 -9.736 -8.906 1.00 45.10 C ATOM 410 CE1 PHE A 29 19.811 -7.884 -7.728 1.00 3.14 C ATOM 411 CE2 PHE A 29 19.497 -9.983 -8.828 1.00 30.25 C ATOM 412 CZ PHE A 29 20.334 -9.056 -8.239 1.00 1.52 C ATOM 0 H PHE A 29 15.670 -9.444 -10.625 1.00 15.23 H new ATOM 0 HA PHE A 29 14.812 -6.965 -9.540 1.00 3.12 H new ATOM 0 HB2 PHE A 29 15.818 -7.725 -7.609 1.00 73.42 H new ATOM 0 HB3 PHE A 29 15.592 -9.247 -8.448 1.00 73.42 H new ATOM 0 HD1 PHE A 29 18.050 -6.723 -7.409 1.00 32.34 H new ATOM 0 HD2 PHE A 29 17.489 -10.464 -9.369 1.00 45.10 H new ATOM 0 HE1 PHE A 29 20.463 -7.158 -7.266 1.00 3.14 H new ATOM 0 HE2 PHE A 29 19.903 -10.901 -9.228 1.00 30.25 H new ATOM 0 HZ PHE A 29 21.395 -9.247 -8.178 1.00 1.52 H new ATOM 422 N TYR A 30 17.503 -6.892 -11.252 1.00 34.02 N ATOM 423 CA TYR A 30 18.588 -6.054 -11.749 1.00 35.31 C ATOM 424 C TYR A 30 18.046 -4.913 -12.605 1.00 24.21 C ATOM 425 O TYR A 30 18.553 -3.792 -12.559 1.00 63.13 O ATOM 426 CB TYR A 30 19.576 -6.892 -12.562 1.00 74.40 C ATOM 427 CG TYR A 30 20.046 -6.214 -13.829 1.00 31.12 C ATOM 428 CD1 TYR A 30 19.325 -6.330 -15.011 1.00 45.11 C ATOM 429 CD2 TYR A 30 21.211 -5.456 -13.843 1.00 35.30 C ATOM 430 CE1 TYR A 30 19.752 -5.712 -16.171 1.00 20.51 C ATOM 431 CE2 TYR A 30 21.644 -4.834 -14.998 1.00 31.12 C ATOM 432 CZ TYR A 30 20.912 -4.966 -16.159 1.00 54.42 C ATOM 433 OH TYR A 30 21.339 -4.348 -17.312 1.00 40.21 O ATOM 0 H TYR A 30 17.322 -7.725 -11.813 1.00 34.02 H new ATOM 0 HA TYR A 30 19.106 -5.626 -10.891 1.00 35.31 H new ATOM 0 HB2 TYR A 30 20.441 -7.122 -11.941 1.00 74.40 H new ATOM 0 HB3 TYR A 30 19.107 -7.842 -12.820 1.00 74.40 H new ATOM 0 HD1 TYR A 30 18.416 -6.913 -15.023 1.00 45.11 H new ATOM 0 HD2 TYR A 30 21.787 -5.352 -12.936 1.00 35.30 H new ATOM 0 HE1 TYR A 30 19.181 -5.813 -17.082 1.00 20.51 H new ATOM 0 HE2 TYR A 30 22.551 -4.248 -14.992 1.00 31.12 H new ATOM 0 HH TYR A 30 20.630 -4.390 -17.988 1.00 40.21 H new ATOM 443 N LYS A 31 17.012 -5.207 -13.386 1.00 22.15 N ATOM 444 CA LYS A 31 16.398 -4.208 -14.252 1.00 4.42 C ATOM 445 C LYS A 31 15.475 -3.291 -13.456 1.00 10.03 C ATOM 446 O LYS A 31 15.176 -2.174 -13.880 1.00 24.40 O ATOM 447 CB LYS A 31 15.614 -4.889 -15.375 1.00 34.10 C ATOM 448 CG LYS A 31 14.610 -5.916 -14.879 1.00 54.54 C ATOM 449 CD LYS A 31 13.789 -6.489 -16.022 1.00 34.40 C ATOM 450 CE LYS A 31 12.461 -7.045 -15.530 1.00 51.11 C ATOM 451 NZ LYS A 31 11.686 -7.685 -16.629 1.00 50.52 N ATOM 0 H LYS A 31 16.581 -6.130 -13.437 1.00 22.15 H new ATOM 0 HA LYS A 31 17.193 -3.604 -14.688 1.00 4.42 H new ATOM 0 HB2 LYS A 31 15.088 -4.129 -15.953 1.00 34.10 H new ATOM 0 HB3 LYS A 31 16.315 -5.376 -16.053 1.00 34.10 H new ATOM 0 HG2 LYS A 31 15.135 -6.722 -14.367 1.00 54.54 H new ATOM 0 HG3 LYS A 31 13.946 -5.454 -14.149 1.00 54.54 H new ATOM 0 HD2 LYS A 31 13.607 -5.713 -16.765 1.00 34.40 H new ATOM 0 HD3 LYS A 31 14.354 -7.278 -16.517 1.00 34.40 H new ATOM 0 HE2 LYS A 31 12.643 -7.775 -14.741 1.00 51.11 H new ATOM 0 HE3 LYS A 31 11.871 -6.241 -15.090 1.00 51.11 H new ATOM 0 HZ1 LYS A 31 10.669 -7.608 -16.427 1.00 50.52 H new ATOM 0 HZ2 LYS A 31 11.898 -7.206 -17.528 1.00 50.52 H new ATOM 0 HZ3 LYS A 31 11.949 -8.689 -16.701 1.00 50.52 H new ATOM 465 N TYR A 32 15.027 -3.769 -12.300 1.00 42.01 N ATOM 466 CA TYR A 32 14.137 -2.993 -11.445 1.00 41.53 C ATOM 467 C TYR A 32 14.905 -1.897 -10.712 1.00 13.11 C ATOM 468 O TYR A 32 14.450 -0.756 -10.625 1.00 34.13 O ATOM 469 CB TYR A 32 13.440 -3.906 -10.435 1.00 64.05 C ATOM 470 CG TYR A 32 12.511 -4.915 -11.072 1.00 10.41 C ATOM 471 CD1 TYR A 32 11.793 -4.600 -12.219 1.00 51.40 C ATOM 472 CD2 TYR A 32 12.350 -6.182 -10.526 1.00 0.01 C ATOM 473 CE1 TYR A 32 10.942 -5.518 -12.804 1.00 10.43 C ATOM 474 CE2 TYR A 32 11.503 -7.107 -11.105 1.00 14.34 C ATOM 475 CZ TYR A 32 10.801 -6.770 -12.243 1.00 54.21 C ATOM 476 OH TYR A 32 9.954 -7.688 -12.822 1.00 3.32 O ATOM 0 H TYR A 32 15.266 -4.691 -11.934 1.00 42.01 H new ATOM 0 HA TYR A 32 13.385 -2.523 -12.079 1.00 41.53 H new ATOM 0 HB2 TYR A 32 14.196 -4.436 -9.855 1.00 64.05 H new ATOM 0 HB3 TYR A 32 12.872 -3.293 -9.735 1.00 64.05 H new ATOM 0 HD1 TYR A 32 11.902 -3.621 -12.661 1.00 51.40 H new ATOM 0 HD2 TYR A 32 12.896 -6.449 -9.633 1.00 0.01 H new ATOM 0 HE1 TYR A 32 10.391 -5.257 -13.695 1.00 10.43 H new ATOM 0 HE2 TYR A 32 11.391 -8.089 -10.669 1.00 14.34 H new ATOM 0 HH TYR A 32 9.970 -8.520 -12.305 1.00 3.32 H new ATOM 486 N TYR A 33 16.072 -2.252 -10.187 1.00 11.13 N ATOM 487 CA TYR A 33 16.904 -1.301 -9.459 1.00 15.21 C ATOM 488 C TYR A 33 17.363 -0.168 -10.372 1.00 74.21 C ATOM 489 O TYR A 33 17.658 0.935 -9.913 1.00 2.31 O ATOM 490 CB TYR A 33 18.118 -2.009 -8.857 1.00 20.42 C ATOM 491 CG TYR A 33 18.902 -1.151 -7.890 1.00 63.12 C ATOM 492 CD1 TYR A 33 19.812 -0.206 -8.350 1.00 74.30 C ATOM 493 CD2 TYR A 33 18.735 -1.285 -6.518 1.00 21.44 C ATOM 494 CE1 TYR A 33 20.531 0.580 -7.471 1.00 21.32 C ATOM 495 CE2 TYR A 33 19.449 -0.503 -5.631 1.00 40.41 C ATOM 496 CZ TYR A 33 20.346 0.428 -6.112 1.00 51.24 C ATOM 497 OH TYR A 33 21.060 1.209 -5.232 1.00 60.25 O ATOM 0 H TYR A 33 16.464 -3.192 -10.252 1.00 11.13 H new ATOM 0 HA TYR A 33 16.305 -0.875 -8.654 1.00 15.21 H new ATOM 0 HB2 TYR A 33 17.784 -2.910 -8.342 1.00 20.42 H new ATOM 0 HB3 TYR A 33 18.778 -2.329 -9.663 1.00 20.42 H new ATOM 0 HD1 TYR A 33 19.959 -0.084 -9.413 1.00 74.30 H new ATOM 0 HD2 TYR A 33 18.034 -2.014 -6.138 1.00 21.44 H new ATOM 0 HE1 TYR A 33 21.234 1.309 -7.845 1.00 21.32 H new ATOM 0 HE2 TYR A 33 19.306 -0.620 -4.567 1.00 40.41 H new ATOM 0 HH TYR A 33 20.811 0.977 -4.313 1.00 60.25 H new ATOM 507 N LYS A 34 17.419 -0.449 -11.670 1.00 22.35 N ATOM 508 CA LYS A 34 17.840 0.544 -12.650 1.00 52.15 C ATOM 509 C LYS A 34 16.668 1.426 -13.068 1.00 52.52 C ATOM 510 O LYS A 34 16.811 2.641 -13.201 1.00 43.50 O ATOM 511 CB LYS A 34 18.437 -0.144 -13.880 1.00 23.22 C ATOM 512 CG LYS A 34 19.722 -0.901 -13.589 1.00 34.21 C ATOM 513 CD LYS A 34 20.791 0.014 -13.015 1.00 74.14 C ATOM 514 CE LYS A 34 21.111 1.159 -13.964 1.00 2.14 C ATOM 515 NZ LYS A 34 22.519 1.622 -13.818 1.00 62.24 N ATOM 0 H LYS A 34 17.178 -1.357 -12.067 1.00 22.35 H new ATOM 0 HA LYS A 34 18.600 1.174 -12.188 1.00 52.15 H new ATOM 0 HB2 LYS A 34 17.702 -0.836 -14.291 1.00 23.22 H new ATOM 0 HB3 LYS A 34 18.632 0.606 -14.647 1.00 23.22 H new ATOM 0 HG2 LYS A 34 19.518 -1.709 -12.886 1.00 34.21 H new ATOM 0 HG3 LYS A 34 20.090 -1.361 -14.506 1.00 34.21 H new ATOM 0 HD2 LYS A 34 20.454 0.415 -12.059 1.00 74.14 H new ATOM 0 HD3 LYS A 34 21.696 -0.561 -12.818 1.00 74.14 H new ATOM 0 HE2 LYS A 34 20.939 0.838 -14.991 1.00 2.14 H new ATOM 0 HE3 LYS A 34 20.433 1.991 -13.772 1.00 2.14 H new ATOM 0 HZ1 LYS A 34 22.698 2.403 -14.481 1.00 62.24 H new ATOM 0 HZ2 LYS A 34 22.677 1.952 -12.844 1.00 62.24 H new ATOM 0 HZ3 LYS A 34 23.167 0.835 -14.026 1.00 62.24 H new ATOM 529 N GLN A 35 15.510 0.807 -13.272 1.00 72.12 N ATOM 530 CA GLN A 35 14.314 1.537 -13.674 1.00 15.51 C ATOM 531 C GLN A 35 13.763 2.360 -12.514 1.00 0.41 C ATOM 532 O GLN A 35 13.194 3.433 -12.716 1.00 20.30 O ATOM 533 CB GLN A 35 13.244 0.568 -14.180 1.00 30.13 C ATOM 534 CG GLN A 35 12.933 0.723 -15.660 1.00 11.14 C ATOM 535 CD GLN A 35 13.892 -0.051 -16.542 1.00 22.21 C ATOM 536 OE1 GLN A 35 14.477 0.499 -17.475 1.00 42.22 O ATOM 537 NE2 GLN A 35 14.059 -1.336 -16.251 1.00 1.14 N ATOM 0 H GLN A 35 15.375 -0.198 -13.165 1.00 72.12 H new ATOM 0 HA GLN A 35 14.589 2.217 -14.481 1.00 15.51 H new ATOM 0 HB2 GLN A 35 13.573 -0.454 -13.992 1.00 30.13 H new ATOM 0 HB3 GLN A 35 12.329 0.719 -13.607 1.00 30.13 H new ATOM 0 HG2 GLN A 35 11.915 0.383 -15.851 1.00 11.14 H new ATOM 0 HG3 GLN A 35 12.972 1.779 -15.927 1.00 11.14 H new ATOM 0 HE21 GLN A 35 13.554 -1.751 -15.468 1.00 1.14 H new ATOM 0 HE22 GLN A 35 14.692 -1.907 -16.810 1.00 1.14 H new ATOM 546 N ALA A 36 13.936 1.851 -11.299 1.00 21.22 N ATOM 547 CA ALA A 36 13.458 2.540 -10.106 1.00 60.54 C ATOM 548 C ALA A 36 14.437 3.625 -9.670 1.00 35.53 C ATOM 549 O ALA A 36 14.209 4.318 -8.678 1.00 3.13 O ATOM 550 CB ALA A 36 13.232 1.545 -8.977 1.00 74.15 C ATOM 0 H ALA A 36 14.404 0.964 -11.114 1.00 21.22 H new ATOM 0 HA ALA A 36 12.509 3.019 -10.348 1.00 60.54 H new ATOM 0 HB1 ALA A 36 12.875 2.073 -8.093 1.00 74.15 H new ATOM 0 HB2 ALA A 36 12.489 0.809 -9.284 1.00 74.15 H new ATOM 0 HB3 ALA A 36 14.169 1.040 -8.744 1.00 74.15 H new ATOM 556 N THR A 37 15.527 3.767 -10.416 1.00 65.51 N ATOM 557 CA THR A 37 16.542 4.766 -10.105 1.00 33.20 C ATOM 558 C THR A 37 16.679 5.780 -11.235 1.00 10.14 C ATOM 559 O THR A 37 16.601 6.988 -11.011 1.00 0.23 O ATOM 560 CB THR A 37 17.913 4.113 -9.847 1.00 11.10 C ATOM 561 OG1 THR A 37 17.832 3.232 -8.721 1.00 1.43 O ATOM 562 CG2 THR A 37 18.977 5.171 -9.595 1.00 32.31 C ATOM 0 H THR A 37 15.730 3.202 -11.241 1.00 65.51 H new ATOM 0 HA THR A 37 16.216 5.277 -9.199 1.00 33.20 H new ATOM 0 HB THR A 37 18.192 3.543 -10.733 1.00 11.10 H new ATOM 0 HG1 THR A 37 18.092 2.327 -8.994 1.00 1.43 H new ATOM 0 HG21 THR A 37 19.937 4.686 -9.415 1.00 32.31 H new ATOM 0 HG22 THR A 37 19.057 5.822 -10.466 1.00 32.31 H new ATOM 0 HG23 THR A 37 18.701 5.764 -8.723 1.00 32.31 H new ATOM 570 N VAL A 38 16.883 5.282 -12.450 1.00 22.42 N ATOM 571 CA VAL A 38 17.030 6.145 -13.616 1.00 35.04 C ATOM 572 C VAL A 38 15.693 6.347 -14.321 1.00 62.11 C ATOM 573 O VAL A 38 15.182 7.463 -14.397 1.00 14.24 O ATOM 574 CB VAL A 38 18.045 5.566 -14.619 1.00 12.12 C ATOM 575 CG1 VAL A 38 18.186 6.483 -15.824 1.00 64.34 C ATOM 576 CG2 VAL A 38 19.391 5.345 -13.946 1.00 21.20 C ATOM 0 H VAL A 38 16.950 4.285 -12.653 1.00 22.42 H new ATOM 0 HA VAL A 38 17.396 7.106 -13.255 1.00 35.04 H new ATOM 0 HB VAL A 38 17.676 4.601 -14.968 1.00 12.12 H new ATOM 0 HG11 VAL A 38 18.907 6.058 -16.522 1.00 64.34 H new ATOM 0 HG12 VAL A 38 17.220 6.586 -16.318 1.00 64.34 H new ATOM 0 HG13 VAL A 38 18.532 7.463 -15.497 1.00 64.34 H new ATOM 0 HG21 VAL A 38 20.096 4.935 -14.669 1.00 21.20 H new ATOM 0 HG22 VAL A 38 19.769 6.295 -13.568 1.00 21.20 H new ATOM 0 HG23 VAL A 38 19.273 4.646 -13.118 1.00 21.20 H new ATOM 586 N GLY A 39 15.132 5.257 -14.837 1.00 13.52 N ATOM 587 CA GLY A 39 13.859 5.336 -15.529 1.00 51.05 C ATOM 588 C GLY A 39 13.835 4.501 -16.794 1.00 52.35 C ATOM 589 O GLY A 39 12.867 3.786 -17.056 1.00 43.21 O ATOM 0 H GLY A 39 15.536 4.322 -14.788 1.00 13.52 H new ATOM 0 HA2 GLY A 39 13.065 5.002 -14.862 1.00 51.05 H new ATOM 0 HA3 GLY A 39 13.649 6.376 -15.779 1.00 51.05 H new ATOM 593 N ASP A 40 14.901 4.593 -17.582 1.00 74.11 N ATOM 594 CA ASP A 40 14.998 3.840 -18.827 1.00 50.44 C ATOM 595 C ASP A 40 16.454 3.544 -19.171 1.00 5.21 C ATOM 596 O ASP A 40 17.369 4.162 -18.625 1.00 43.31 O ATOM 597 CB ASP A 40 14.339 4.616 -19.969 1.00 62.35 C ATOM 598 CG ASP A 40 15.231 5.715 -20.513 1.00 72.31 C ATOM 599 OD1 ASP A 40 15.697 6.551 -19.711 1.00 64.53 O ATOM 600 OD2 ASP A 40 15.461 5.740 -21.740 1.00 63.34 O ATOM 0 H ASP A 40 15.710 5.181 -17.381 1.00 74.11 H new ATOM 0 HA ASP A 40 14.476 2.893 -18.692 1.00 50.44 H new ATOM 0 HB2 ASP A 40 14.085 3.926 -20.774 1.00 62.35 H new ATOM 0 HB3 ASP A 40 13.404 5.052 -19.616 1.00 62.35 H new ATOM 605 N CYS A 41 16.662 2.595 -20.077 1.00 50.41 N ATOM 606 CA CYS A 41 18.008 2.216 -20.492 1.00 72.31 C ATOM 607 C CYS A 41 18.569 3.215 -21.498 1.00 53.14 C ATOM 608 O CYS A 41 17.873 3.640 -22.420 1.00 11.25 O ATOM 609 CB CYS A 41 18.000 0.812 -21.099 1.00 54.13 C ATOM 610 SG CYS A 41 19.587 0.301 -21.799 1.00 53.32 S ATOM 0 H CYS A 41 15.916 2.074 -20.538 1.00 50.41 H new ATOM 0 HA CYS A 41 18.648 2.219 -19.610 1.00 72.31 H new ATOM 0 HB2 CYS A 41 17.707 0.097 -20.330 1.00 54.13 H new ATOM 0 HB3 CYS A 41 17.240 0.770 -21.880 1.00 54.13 H new ATOM 0 HG CYS A 41 20.389 -0.058 -20.841 1.00 53.32 H new ATOM 616 N ASN A 42 19.831 3.587 -21.314 1.00 43.12 N ATOM 617 CA ASN A 42 20.485 4.539 -22.205 1.00 25.21 C ATOM 618 C ASN A 42 21.989 4.285 -22.263 1.00 33.02 C ATOM 619 O ASN A 42 22.789 5.221 -22.256 1.00 33.13 O ATOM 620 CB ASN A 42 20.216 5.972 -21.741 1.00 24.45 C ATOM 621 CG ASN A 42 18.756 6.207 -21.409 1.00 15.15 C ATOM 622 OD1 ASN A 42 17.922 6.364 -22.301 1.00 21.40 O ATOM 623 ND2 ASN A 42 18.439 6.233 -20.119 1.00 52.52 N ATOM 0 H ASN A 42 20.422 3.244 -20.556 1.00 43.12 H new ATOM 0 HA ASN A 42 20.073 4.405 -23.205 1.00 25.21 H new ATOM 0 HB2 ASN A 42 20.825 6.187 -20.863 1.00 24.45 H new ATOM 0 HB3 ASN A 42 20.525 6.668 -22.521 1.00 24.45 H new ATOM 0 HD21 ASN A 42 17.472 6.388 -19.835 1.00 52.52 H new ATOM 0 HD22 ASN A 42 19.163 6.098 -19.413 1.00 52.52 H new ATOM 630 N LYS A 43 22.366 3.012 -22.321 1.00 4.42 N ATOM 631 CA LYS A 43 23.773 2.633 -22.382 1.00 40.30 C ATOM 632 C LYS A 43 24.102 1.975 -23.718 1.00 55.55 C ATOM 633 O LYS A 43 23.233 1.430 -24.399 1.00 72.13 O ATOM 634 CB LYS A 43 24.116 1.681 -21.235 1.00 22.44 C ATOM 635 CG LYS A 43 24.181 2.361 -19.878 1.00 61.21 C ATOM 636 CD LYS A 43 25.262 3.428 -19.841 1.00 13.33 C ATOM 637 CE LYS A 43 24.679 4.818 -20.045 1.00 2.52 C ATOM 638 NZ LYS A 43 25.337 5.829 -19.171 1.00 42.33 N ATOM 0 H LYS A 43 21.717 2.225 -22.327 1.00 4.42 H new ATOM 0 HA LYS A 43 24.372 3.539 -22.286 1.00 40.30 H new ATOM 0 HB2 LYS A 43 23.371 0.886 -21.198 1.00 22.44 H new ATOM 0 HB3 LYS A 43 25.076 1.208 -21.441 1.00 22.44 H new ATOM 0 HG2 LYS A 43 23.215 2.812 -19.649 1.00 61.21 H new ATOM 0 HG3 LYS A 43 24.376 1.617 -19.106 1.00 61.21 H new ATOM 0 HD2 LYS A 43 25.783 3.387 -18.884 1.00 13.33 H new ATOM 0 HD3 LYS A 43 26.002 3.225 -20.615 1.00 13.33 H new ATOM 0 HE2 LYS A 43 24.794 5.110 -21.089 1.00 2.52 H new ATOM 0 HE3 LYS A 43 23.610 4.798 -19.835 1.00 2.52 H new ATOM 0 HZ1 LYS A 43 24.912 6.763 -19.340 1.00 42.33 H new ATOM 0 HZ2 LYS A 43 25.206 5.564 -18.174 1.00 42.33 H new ATOM 0 HZ3 LYS A 43 26.353 5.867 -19.388 1.00 42.33 H new ATOM 652 N PRO A 44 25.385 2.026 -24.104 1.00 62.40 N ATOM 653 CA PRO A 44 25.858 1.438 -25.361 1.00 32.51 C ATOM 654 C PRO A 44 25.822 -0.087 -25.337 1.00 44.21 C ATOM 655 O PRO A 44 25.935 -0.704 -24.278 1.00 70.51 O ATOM 656 CB PRO A 44 27.301 1.937 -25.466 1.00 12.31 C ATOM 657 CG PRO A 44 27.714 2.200 -24.059 1.00 10.31 C ATOM 658 CD PRO A 44 26.474 2.660 -23.342 1.00 64.33 C ATOM 0 HA PRO A 44 25.231 1.724 -26.206 1.00 32.51 H new ATOM 0 HB2 PRO A 44 27.944 1.192 -25.935 1.00 12.31 H new ATOM 0 HB3 PRO A 44 27.364 2.840 -26.073 1.00 12.31 H new ATOM 0 HG2 PRO A 44 28.121 1.300 -23.597 1.00 10.31 H new ATOM 0 HG3 PRO A 44 28.494 2.960 -24.017 1.00 10.31 H new ATOM 0 HD2 PRO A 44 26.472 2.343 -22.299 1.00 64.33 H new ATOM 0 HD3 PRO A 44 26.387 3.747 -23.345 1.00 64.33 H new ATOM 666 N LYS A 45 25.666 -0.689 -26.511 1.00 52.33 N ATOM 667 CA LYS A 45 25.617 -2.141 -26.626 1.00 63.45 C ATOM 668 C LYS A 45 26.843 -2.780 -25.981 1.00 11.44 C ATOM 669 O LYS A 45 27.974 -2.326 -26.157 1.00 21.53 O ATOM 670 CB LYS A 45 25.530 -2.554 -28.098 1.00 33.25 C ATOM 671 CG LYS A 45 25.442 -4.057 -28.303 1.00 43.44 C ATOM 672 CD LYS A 45 23.999 -4.527 -28.369 1.00 21.44 C ATOM 673 CE LYS A 45 23.912 -6.025 -28.621 1.00 42.23 C ATOM 674 NZ LYS A 45 24.524 -6.811 -27.514 1.00 41.42 N ATOM 0 H LYS A 45 25.571 -0.193 -27.397 1.00 52.33 H new ATOM 0 HA LYS A 45 24.728 -2.492 -26.102 1.00 63.45 H new ATOM 0 HB2 LYS A 45 24.656 -2.082 -28.548 1.00 33.25 H new ATOM 0 HB3 LYS A 45 26.405 -2.174 -28.626 1.00 33.25 H new ATOM 0 HG2 LYS A 45 25.957 -4.330 -29.224 1.00 43.44 H new ATOM 0 HG3 LYS A 45 25.955 -4.567 -27.488 1.00 43.44 H new ATOM 0 HD2 LYS A 45 23.493 -4.284 -27.435 1.00 21.44 H new ATOM 0 HD3 LYS A 45 23.477 -3.992 -29.163 1.00 21.44 H new ATOM 0 HE2 LYS A 45 22.867 -6.314 -28.737 1.00 42.23 H new ATOM 0 HE3 LYS A 45 24.415 -6.265 -29.558 1.00 42.23 H new ATOM 0 HZ1 LYS A 45 24.370 -7.826 -27.682 1.00 41.42 H new ATOM 0 HZ2 LYS A 45 25.545 -6.618 -27.474 1.00 41.42 H new ATOM 0 HZ3 LYS A 45 24.085 -6.539 -26.611 1.00 41.42 H new ATOM 688 N PRO A 46 26.616 -3.858 -25.216 1.00 11.34 N ATOM 689 CA PRO A 46 27.690 -4.582 -24.530 1.00 21.21 C ATOM 690 C PRO A 46 28.590 -5.339 -25.501 1.00 22.14 C ATOM 691 O PRO A 46 28.568 -5.090 -26.705 1.00 65.32 O ATOM 692 CB PRO A 46 26.937 -5.561 -23.625 1.00 52.24 C ATOM 693 CG PRO A 46 25.622 -5.761 -24.296 1.00 15.41 C ATOM 694 CD PRO A 46 25.293 -4.453 -24.961 1.00 42.25 C ATOM 0 HA PRO A 46 28.356 -3.908 -23.991 1.00 21.21 H new ATOM 0 HB2 PRO A 46 27.477 -6.502 -23.524 1.00 52.24 H new ATOM 0 HB3 PRO A 46 26.812 -5.156 -22.621 1.00 52.24 H new ATOM 0 HG2 PRO A 46 25.676 -6.568 -25.027 1.00 15.41 H new ATOM 0 HG3 PRO A 46 24.853 -6.036 -23.574 1.00 15.41 H new ATOM 0 HD2 PRO A 46 24.734 -4.601 -25.885 1.00 42.25 H new ATOM 0 HD3 PRO A 46 24.684 -3.818 -24.318 1.00 42.25 H new ATOM 702 N GLY A 47 29.382 -6.265 -24.967 1.00 75.35 N ATOM 703 CA GLY A 47 30.278 -7.044 -25.801 1.00 71.44 C ATOM 704 C GLY A 47 29.549 -7.773 -26.913 1.00 42.43 C ATOM 705 O GLY A 47 28.338 -7.622 -27.073 1.00 43.03 O ATOM 0 H GLY A 47 29.419 -6.489 -23.973 1.00 75.35 H new ATOM 0 HA2 GLY A 47 31.030 -6.385 -26.235 1.00 71.44 H new ATOM 0 HA3 GLY A 47 30.808 -7.768 -25.182 1.00 71.44 H new ATOM 709 N MET A 48 30.288 -8.563 -27.685 1.00 24.14 N ATOM 710 CA MET A 48 29.704 -9.317 -28.788 1.00 2.11 C ATOM 711 C MET A 48 30.043 -10.800 -28.672 1.00 55.14 C ATOM 712 O MET A 48 29.877 -11.561 -29.627 1.00 11.04 O ATOM 713 CB MET A 48 30.203 -8.771 -30.127 1.00 51.12 C ATOM 714 CG MET A 48 29.090 -8.257 -31.026 1.00 61.23 C ATOM 715 SD MET A 48 28.307 -6.767 -30.380 1.00 61.11 S ATOM 716 CE MET A 48 26.582 -7.122 -30.706 1.00 61.41 C ATOM 0 H MET A 48 31.292 -8.698 -27.567 1.00 24.14 H new ATOM 0 HA MET A 48 28.621 -9.205 -28.739 1.00 2.11 H new ATOM 0 HB2 MET A 48 30.910 -7.963 -29.940 1.00 51.12 H new ATOM 0 HB3 MET A 48 30.748 -9.557 -30.650 1.00 51.12 H new ATOM 0 HG2 MET A 48 29.495 -8.050 -32.016 1.00 61.23 H new ATOM 0 HG3 MET A 48 28.337 -9.036 -31.146 1.00 61.23 H new ATOM 0 HE1 MET A 48 26.045 -6.189 -30.878 1.00 61.41 H new ATOM 0 HE2 MET A 48 26.502 -7.755 -31.590 1.00 61.41 H new ATOM 0 HE3 MET A 48 26.148 -7.638 -29.849 1.00 61.41 H new ATOM 726 N LEU A 49 30.517 -11.204 -27.499 1.00 62.14 N ATOM 727 CA LEU A 49 30.879 -12.597 -27.259 1.00 43.24 C ATOM 728 C LEU A 49 30.149 -13.147 -26.039 1.00 13.35 C ATOM 729 O LEU A 49 30.285 -14.322 -25.700 1.00 2.24 O ATOM 730 CB LEU A 49 32.391 -12.725 -27.064 1.00 10.11 C ATOM 731 CG LEU A 49 33.047 -11.657 -26.188 1.00 23.44 C ATOM 732 CD1 LEU A 49 33.161 -10.343 -26.943 1.00 41.52 C ATOM 733 CD2 LEU A 49 32.261 -11.468 -24.899 1.00 13.32 C ATOM 0 H LEU A 49 30.660 -10.587 -26.699 1.00 62.14 H new ATOM 0 HA LEU A 49 30.581 -13.180 -28.131 1.00 43.24 H new ATOM 0 HB2 LEU A 49 32.600 -13.702 -26.628 1.00 10.11 H new ATOM 0 HB3 LEU A 49 32.867 -12.705 -28.044 1.00 10.11 H new ATOM 0 HG LEU A 49 34.052 -11.992 -25.931 1.00 23.44 H new ATOM 0 HD11 LEU A 49 33.630 -9.595 -26.303 1.00 41.52 H new ATOM 0 HD12 LEU A 49 33.768 -10.488 -27.837 1.00 41.52 H new ATOM 0 HD13 LEU A 49 32.167 -10.002 -27.231 1.00 41.52 H new ATOM 0 HD21 LEU A 49 32.742 -10.704 -24.288 1.00 13.32 H new ATOM 0 HD22 LEU A 49 31.244 -11.156 -25.136 1.00 13.32 H new ATOM 0 HD23 LEU A 49 32.233 -12.408 -24.349 1.00 13.32 H new ATOM 745 N GLN A 50 29.372 -12.289 -25.384 1.00 61.21 N ATOM 746 CA GLN A 50 28.619 -12.690 -24.202 1.00 32.51 C ATOM 747 C GLN A 50 27.127 -12.772 -24.509 1.00 21.42 C ATOM 748 O GLN A 50 26.600 -11.982 -25.293 1.00 35.50 O ATOM 749 CB GLN A 50 28.863 -11.705 -23.057 1.00 72.53 C ATOM 750 CG GLN A 50 29.933 -12.162 -22.079 1.00 61.32 C ATOM 751 CD GLN A 50 29.760 -11.557 -20.700 1.00 71.40 C ATOM 752 OE1 GLN A 50 29.788 -12.264 -19.692 1.00 3.43 O ATOM 753 NE2 GLN A 50 29.579 -10.243 -20.648 1.00 43.23 N ATOM 0 H GLN A 50 29.248 -11.313 -25.652 1.00 61.21 H new ATOM 0 HA GLN A 50 28.964 -13.679 -23.901 1.00 32.51 H new ATOM 0 HB2 GLN A 50 29.152 -10.740 -23.474 1.00 72.53 H new ATOM 0 HB3 GLN A 50 27.929 -11.552 -22.516 1.00 72.53 H new ATOM 0 HG2 GLN A 50 29.908 -13.249 -22.000 1.00 61.32 H new ATOM 0 HG3 GLN A 50 30.915 -11.893 -22.469 1.00 61.32 H new ATOM 0 HE21 GLN A 50 29.563 -9.696 -21.509 1.00 43.23 H new ATOM 0 HE22 GLN A 50 29.456 -9.780 -19.747 1.00 43.23 H new ATOM 762 N LEU A 51 26.452 -13.733 -23.887 1.00 2.55 N ATOM 763 CA LEU A 51 25.020 -13.918 -24.093 1.00 61.32 C ATOM 764 C LEU A 51 24.216 -13.180 -23.028 1.00 31.11 C ATOM 765 O LEU A 51 23.292 -12.431 -23.343 1.00 41.42 O ATOM 766 CB LEU A 51 24.671 -15.407 -24.072 1.00 34.44 C ATOM 767 CG LEU A 51 25.361 -16.274 -25.125 1.00 70.23 C ATOM 768 CD1 LEU A 51 26.736 -16.709 -24.641 1.00 74.15 C ATOM 769 CD2 LEU A 51 24.505 -17.486 -25.464 1.00 14.34 C ATOM 0 H LEU A 51 26.873 -14.396 -23.236 1.00 2.55 H new ATOM 0 HA LEU A 51 24.761 -13.504 -25.068 1.00 61.32 H new ATOM 0 HB2 LEU A 51 24.917 -15.803 -23.087 1.00 34.44 H new ATOM 0 HB3 LEU A 51 23.593 -15.509 -24.197 1.00 34.44 H new ATOM 0 HG LEU A 51 25.488 -15.680 -26.030 1.00 70.23 H new ATOM 0 HD11 LEU A 51 27.212 -17.325 -25.404 1.00 74.15 H new ATOM 0 HD12 LEU A 51 27.350 -15.829 -24.450 1.00 74.15 H new ATOM 0 HD13 LEU A 51 26.633 -17.285 -23.721 1.00 74.15 H new ATOM 0 HD21 LEU A 51 25.012 -18.091 -26.215 1.00 14.34 H new ATOM 0 HD22 LEU A 51 24.346 -18.082 -24.565 1.00 14.34 H new ATOM 0 HD23 LEU A 51 23.543 -17.154 -25.855 1.00 14.34 H new ATOM 781 N GLN A 52 24.575 -13.396 -21.767 1.00 25.23 N ATOM 782 CA GLN A 52 23.888 -12.750 -20.655 1.00 52.33 C ATOM 783 C GLN A 52 23.757 -11.249 -20.895 1.00 21.22 C ATOM 784 O GLN A 52 22.711 -10.658 -20.630 1.00 74.45 O ATOM 785 CB GLN A 52 24.637 -13.006 -19.346 1.00 55.03 C ATOM 786 CG GLN A 52 24.270 -14.324 -18.684 1.00 30.13 C ATOM 787 CD GLN A 52 25.158 -15.469 -19.130 1.00 43.41 C ATOM 788 OE1 GLN A 52 25.982 -15.966 -18.362 1.00 64.02 O ATOM 789 NE2 GLN A 52 24.995 -15.893 -20.378 1.00 30.24 N ATOM 0 H GLN A 52 25.338 -14.014 -21.490 1.00 25.23 H new ATOM 0 HA GLN A 52 22.888 -13.177 -20.582 1.00 52.33 H new ATOM 0 HB2 GLN A 52 25.709 -12.993 -19.542 1.00 55.03 H new ATOM 0 HB3 GLN A 52 24.430 -12.191 -18.653 1.00 55.03 H new ATOM 0 HG2 GLN A 52 24.341 -14.215 -17.602 1.00 30.13 H new ATOM 0 HG3 GLN A 52 23.232 -14.564 -18.913 1.00 30.13 H new ATOM 0 HE21 GLN A 52 24.300 -15.452 -20.980 1.00 30.24 H new ATOM 0 HE22 GLN A 52 25.565 -16.660 -20.735 1.00 30.24 H new ATOM 798 N GLU A 53 24.827 -10.639 -21.396 1.00 73.53 N ATOM 799 CA GLU A 53 24.831 -9.207 -21.670 1.00 35.22 C ATOM 800 C GLU A 53 23.583 -8.798 -22.447 1.00 73.44 C ATOM 801 O GLU A 53 22.943 -7.794 -22.134 1.00 72.31 O ATOM 802 CB GLU A 53 26.085 -8.819 -22.456 1.00 14.11 C ATOM 803 CG GLU A 53 26.268 -9.611 -23.740 1.00 14.23 C ATOM 804 CD GLU A 53 27.550 -9.255 -24.467 1.00 30.13 C ATOM 805 OE1 GLU A 53 28.402 -8.569 -23.864 1.00 23.41 O ATOM 806 OE2 GLU A 53 27.701 -9.662 -25.638 1.00 3.45 O ATOM 0 H GLU A 53 25.701 -11.114 -21.620 1.00 73.53 H new ATOM 0 HA GLU A 53 24.832 -8.681 -20.716 1.00 35.22 H new ATOM 0 HB2 GLU A 53 26.038 -7.757 -22.698 1.00 14.11 H new ATOM 0 HB3 GLU A 53 26.960 -8.963 -21.822 1.00 14.11 H new ATOM 0 HG2 GLU A 53 26.270 -10.676 -23.508 1.00 14.23 H new ATOM 0 HG3 GLU A 53 25.419 -9.429 -24.399 1.00 14.23 H new ATOM 813 N LYS A 54 23.243 -9.584 -23.464 1.00 14.42 N ATOM 814 CA LYS A 54 22.072 -9.306 -24.287 1.00 72.03 C ATOM 815 C LYS A 54 20.800 -9.310 -23.444 1.00 64.25 C ATOM 816 O LYS A 54 19.915 -8.476 -23.635 1.00 60.12 O ATOM 817 CB LYS A 54 21.956 -10.340 -25.410 1.00 15.32 C ATOM 818 CG LYS A 54 23.013 -10.187 -26.489 1.00 25.20 C ATOM 819 CD LYS A 54 23.980 -11.359 -26.491 1.00 65.35 C ATOM 820 CE LYS A 54 23.309 -12.635 -26.976 1.00 52.13 C ATOM 821 NZ LYS A 54 22.745 -12.479 -28.346 1.00 13.14 N ATOM 0 H LYS A 54 23.762 -10.418 -23.738 1.00 14.42 H new ATOM 0 HA LYS A 54 22.193 -8.315 -24.724 1.00 72.03 H new ATOM 0 HB2 LYS A 54 22.029 -11.339 -24.981 1.00 15.32 H new ATOM 0 HB3 LYS A 54 20.969 -10.260 -25.866 1.00 15.32 H new ATOM 0 HG2 LYS A 54 22.531 -10.110 -27.464 1.00 25.20 H new ATOM 0 HG3 LYS A 54 23.564 -9.260 -26.331 1.00 25.20 H new ATOM 0 HD2 LYS A 54 24.831 -11.128 -27.131 1.00 65.35 H new ATOM 0 HD3 LYS A 54 24.370 -11.512 -25.485 1.00 65.35 H new ATOM 0 HE2 LYS A 54 24.033 -13.450 -26.972 1.00 52.13 H new ATOM 0 HE3 LYS A 54 22.513 -12.912 -26.285 1.00 52.13 H new ATOM 0 HZ1 LYS A 54 22.606 -13.417 -28.773 1.00 13.14 H new ATOM 0 HZ2 LYS A 54 21.831 -11.985 -28.291 1.00 13.14 H new ATOM 0 HZ3 LYS A 54 23.403 -11.926 -28.931 1.00 13.14 H new ATOM 835 N TYR A 55 20.718 -10.252 -22.512 1.00 35.50 N ATOM 836 CA TYR A 55 19.554 -10.365 -21.641 1.00 31.24 C ATOM 837 C TYR A 55 19.493 -9.199 -20.659 1.00 42.42 C ATOM 838 O TYR A 55 18.413 -8.762 -20.261 1.00 42.52 O ATOM 839 CB TYR A 55 19.590 -11.689 -20.875 1.00 2.10 C ATOM 840 CG TYR A 55 19.807 -12.895 -21.761 1.00 12.02 C ATOM 841 CD1 TYR A 55 19.280 -12.942 -23.046 1.00 1.25 C ATOM 842 CD2 TYR A 55 20.539 -13.988 -21.313 1.00 3.51 C ATOM 843 CE1 TYR A 55 19.475 -14.042 -23.858 1.00 31.03 C ATOM 844 CE2 TYR A 55 20.740 -15.091 -22.119 1.00 24.52 C ATOM 845 CZ TYR A 55 20.206 -15.114 -23.390 1.00 71.21 C ATOM 846 OH TYR A 55 20.403 -16.211 -24.197 1.00 24.44 O ATOM 0 H TYR A 55 21.443 -10.948 -22.340 1.00 35.50 H new ATOM 0 HA TYR A 55 18.661 -10.338 -22.266 1.00 31.24 H new ATOM 0 HB2 TYR A 55 20.386 -11.647 -20.131 1.00 2.10 H new ATOM 0 HB3 TYR A 55 18.652 -11.811 -20.333 1.00 2.10 H new ATOM 0 HD1 TYR A 55 18.708 -12.104 -23.416 1.00 1.25 H new ATOM 0 HD2 TYR A 55 20.958 -13.975 -20.318 1.00 3.51 H new ATOM 0 HE1 TYR A 55 19.057 -14.063 -24.854 1.00 31.03 H new ATOM 0 HE2 TYR A 55 21.313 -15.932 -21.756 1.00 24.52 H new ATOM 0 HH TYR A 55 20.939 -16.877 -23.718 1.00 24.44 H new ATOM 856 N LYS A 56 20.662 -8.698 -20.273 1.00 13.21 N ATOM 857 CA LYS A 56 20.745 -7.581 -19.340 1.00 11.53 C ATOM 858 C LYS A 56 20.573 -6.251 -20.067 1.00 10.44 C ATOM 859 O LYS A 56 20.201 -5.245 -19.461 1.00 64.30 O ATOM 860 CB LYS A 56 22.087 -7.602 -18.604 1.00 72.24 C ATOM 861 CG LYS A 56 22.335 -8.885 -17.830 1.00 3.00 C ATOM 862 CD LYS A 56 23.734 -9.424 -18.078 1.00 2.00 C ATOM 863 CE LYS A 56 24.509 -9.581 -16.779 1.00 24.12 C ATOM 864 NZ LYS A 56 24.079 -10.787 -16.018 1.00 53.23 N ATOM 0 H LYS A 56 21.565 -9.048 -20.592 1.00 13.21 H new ATOM 0 HA LYS A 56 19.938 -7.686 -18.615 1.00 11.53 H new ATOM 0 HB2 LYS A 56 22.891 -7.462 -19.327 1.00 72.24 H new ATOM 0 HB3 LYS A 56 22.128 -6.758 -17.915 1.00 72.24 H new ATOM 0 HG2 LYS A 56 22.199 -8.700 -16.764 1.00 3.00 H new ATOM 0 HG3 LYS A 56 21.599 -9.634 -18.120 1.00 3.00 H new ATOM 0 HD2 LYS A 56 23.670 -10.388 -18.583 1.00 2.00 H new ATOM 0 HD3 LYS A 56 24.272 -8.750 -18.745 1.00 2.00 H new ATOM 0 HE2 LYS A 56 25.574 -9.651 -16.998 1.00 24.12 H new ATOM 0 HE3 LYS A 56 24.368 -8.693 -16.162 1.00 24.12 H new ATOM 0 HZ1 LYS A 56 24.570 -10.812 -15.101 1.00 53.23 H new ATOM 0 HZ2 LYS A 56 23.052 -10.750 -15.860 1.00 53.23 H new ATOM 0 HZ3 LYS A 56 24.315 -11.642 -16.561 1.00 53.23 H new ATOM 878 N TRP A 57 20.844 -6.253 -21.367 1.00 20.13 N ATOM 879 CA TRP A 57 20.718 -5.046 -22.176 1.00 34.21 C ATOM 880 C TRP A 57 19.323 -4.941 -22.782 1.00 54.01 C ATOM 881 O TRP A 57 18.813 -3.842 -23.000 1.00 71.41 O ATOM 882 CB TRP A 57 21.771 -5.038 -23.285 1.00 30.31 C ATOM 883 CG TRP A 57 22.015 -3.677 -23.863 1.00 31.12 C ATOM 884 CD1 TRP A 57 22.664 -2.636 -23.263 1.00 23.34 C ATOM 885 CD2 TRP A 57 21.611 -3.210 -25.154 1.00 50.53 C ATOM 886 NE1 TRP A 57 22.688 -1.550 -24.103 1.00 43.34 N ATOM 887 CE2 TRP A 57 22.050 -1.876 -25.270 1.00 54.14 C ATOM 888 CE3 TRP A 57 20.923 -3.788 -26.225 1.00 5.14 C ATOM 889 CZ2 TRP A 57 21.821 -1.114 -26.413 1.00 71.32 C ATOM 890 CZ3 TRP A 57 20.697 -3.031 -27.358 1.00 40.50 C ATOM 891 CH2 TRP A 57 21.145 -1.706 -27.446 1.00 2.22 C ATOM 0 H TRP A 57 21.152 -7.077 -21.884 1.00 20.13 H new ATOM 0 HA TRP A 57 20.878 -4.185 -21.527 1.00 34.21 H new ATOM 0 HB2 TRP A 57 22.708 -5.430 -22.889 1.00 30.31 H new ATOM 0 HB3 TRP A 57 21.455 -5.712 -24.081 1.00 30.31 H new ATOM 0 HD1 TRP A 57 23.095 -2.663 -22.273 1.00 23.34 H new ATOM 0 HE1 TRP A 57 23.112 -0.647 -23.892 1.00 43.34 H new ATOM 0 HE3 TRP A 57 20.574 -4.809 -26.167 1.00 5.14 H new ATOM 0 HZ2 TRP A 57 22.164 -0.092 -26.482 1.00 71.32 H new ATOM 0 HZ3 TRP A 57 20.166 -3.468 -28.191 1.00 40.50 H new ATOM 0 HH2 TRP A 57 20.953 -1.141 -28.346 1.00 2.22 H new ATOM 902 N GLU A 58 18.711 -6.090 -23.052 1.00 13.03 N ATOM 903 CA GLU A 58 17.374 -6.125 -23.634 1.00 1.24 C ATOM 904 C GLU A 58 16.310 -5.888 -22.566 1.00 73.21 C ATOM 905 O GLU A 58 15.307 -5.218 -22.812 1.00 23.01 O ATOM 906 CB GLU A 58 17.129 -7.468 -24.325 1.00 4.24 C ATOM 907 CG GLU A 58 17.953 -7.662 -25.587 1.00 21.14 C ATOM 908 CD GLU A 58 17.149 -7.424 -26.850 1.00 64.22 C ATOM 909 OE1 GLU A 58 16.881 -6.247 -27.169 1.00 41.21 O ATOM 910 OE2 GLU A 58 16.789 -8.414 -27.520 1.00 34.42 O ATOM 0 H GLU A 58 19.119 -7.008 -22.877 1.00 13.03 H new ATOM 0 HA GLU A 58 17.306 -5.327 -24.373 1.00 1.24 H new ATOM 0 HB2 GLU A 58 17.355 -8.273 -23.626 1.00 4.24 H new ATOM 0 HB3 GLU A 58 16.071 -7.551 -24.575 1.00 4.24 H new ATOM 0 HG2 GLU A 58 18.804 -6.982 -25.569 1.00 21.14 H new ATOM 0 HG3 GLU A 58 18.355 -8.675 -25.602 1.00 21.14 H new ATOM 917 N ALA A 59 16.536 -6.444 -21.380 1.00 75.12 N ATOM 918 CA ALA A 59 15.598 -6.293 -20.275 1.00 33.04 C ATOM 919 C ALA A 59 15.505 -4.838 -19.828 1.00 42.22 C ATOM 920 O ALA A 59 14.418 -4.262 -19.779 1.00 43.12 O ATOM 921 CB ALA A 59 16.009 -7.180 -19.109 1.00 2.33 C ATOM 0 H ALA A 59 17.360 -7.003 -21.160 1.00 75.12 H new ATOM 0 HA ALA A 59 14.612 -6.602 -20.623 1.00 33.04 H new ATOM 0 HB1 ALA A 59 15.300 -7.057 -18.291 1.00 2.33 H new ATOM 0 HB2 ALA A 59 16.017 -8.222 -19.429 1.00 2.33 H new ATOM 0 HB3 ALA A 59 17.006 -6.897 -18.771 1.00 2.33 H new ATOM 927 N TRP A 60 16.651 -4.250 -19.503 1.00 52.12 N ATOM 928 CA TRP A 60 16.698 -2.861 -19.060 1.00 20.22 C ATOM 929 C TRP A 60 16.106 -1.933 -20.114 1.00 44.44 C ATOM 930 O TRP A 60 15.568 -0.875 -19.791 1.00 51.11 O ATOM 931 CB TRP A 60 18.139 -2.451 -18.752 1.00 62.42 C ATOM 932 CG TRP A 60 18.247 -1.114 -18.084 1.00 33.10 C ATOM 933 CD1 TRP A 60 17.274 -0.473 -17.372 1.00 34.35 C ATOM 934 CD2 TRP A 60 19.391 -0.254 -18.068 1.00 11.40 C ATOM 935 NE1 TRP A 60 17.744 0.734 -16.914 1.00 30.24 N ATOM 936 CE2 TRP A 60 19.040 0.892 -17.327 1.00 24.35 C ATOM 937 CE3 TRP A 60 20.678 -0.340 -18.606 1.00 12.12 C ATOM 938 CZ2 TRP A 60 19.931 1.941 -17.112 1.00 73.53 C ATOM 939 CZ3 TRP A 60 21.560 0.702 -18.392 1.00 61.05 C ATOM 940 CH2 TRP A 60 21.184 1.830 -17.650 1.00 70.45 C ATOM 0 H TRP A 60 17.559 -4.713 -19.538 1.00 52.12 H new ATOM 0 HA TRP A 60 16.101 -2.775 -18.152 1.00 20.22 H new ATOM 0 HB2 TRP A 60 18.595 -3.207 -18.112 1.00 62.42 H new ATOM 0 HB3 TRP A 60 18.710 -2.432 -19.680 1.00 62.42 H new ATOM 0 HD1 TRP A 60 16.281 -0.858 -17.195 1.00 34.35 H new ATOM 0 HE1 TRP A 60 17.214 1.404 -16.357 1.00 30.24 H new ATOM 0 HE3 TRP A 60 20.978 -1.205 -19.179 1.00 12.12 H new ATOM 0 HZ2 TRP A 60 19.643 2.811 -16.541 1.00 73.53 H new ATOM 0 HZ3 TRP A 60 22.557 0.646 -18.804 1.00 61.05 H new ATOM 0 HH2 TRP A 60 21.897 2.627 -17.500 1.00 70.45 H new ATOM 951 N ASN A 61 16.210 -2.335 -21.377 1.00 22.43 N ATOM 952 CA ASN A 61 15.685 -1.538 -22.479 1.00 40.11 C ATOM 953 C ASN A 61 14.222 -1.878 -22.748 1.00 63.21 C ATOM 954 O ASN A 61 13.510 -1.123 -23.409 1.00 63.12 O ATOM 955 CB ASN A 61 16.515 -1.769 -23.744 1.00 11.24 C ATOM 956 CG ASN A 61 16.063 -0.896 -24.899 1.00 23.22 C ATOM 957 OD1 ASN A 61 16.294 0.313 -24.905 1.00 13.12 O ATOM 958 ND2 ASN A 61 15.416 -1.508 -25.884 1.00 41.41 N ATOM 0 H ASN A 61 16.653 -3.208 -21.662 1.00 22.43 H new ATOM 0 HA ASN A 61 15.749 -0.487 -22.197 1.00 40.11 H new ATOM 0 HB2 ASN A 61 17.564 -1.567 -23.529 1.00 11.24 H new ATOM 0 HB3 ASN A 61 16.445 -2.817 -24.035 1.00 11.24 H new ATOM 0 HD21 ASN A 61 15.088 -0.973 -26.688 1.00 41.41 H new ATOM 0 HD22 ASN A 61 15.247 -2.513 -25.836 1.00 41.41 H new ATOM 965 N ALA A 62 13.781 -3.020 -22.230 1.00 42.03 N ATOM 966 CA ALA A 62 12.403 -3.459 -22.412 1.00 23.20 C ATOM 967 C ALA A 62 11.445 -2.625 -21.568 1.00 43.15 C ATOM 968 O ALA A 62 10.327 -2.327 -21.992 1.00 24.35 O ATOM 969 CB ALA A 62 12.269 -4.934 -22.063 1.00 62.10 C ATOM 0 H ALA A 62 14.358 -3.657 -21.681 1.00 42.03 H new ATOM 0 HA ALA A 62 12.138 -3.319 -23.460 1.00 23.20 H new ATOM 0 HB1 ALA A 62 11.235 -5.249 -22.203 1.00 62.10 H new ATOM 0 HB2 ALA A 62 12.918 -5.522 -22.712 1.00 62.10 H new ATOM 0 HB3 ALA A 62 12.558 -5.090 -21.023 1.00 62.10 H new ATOM 975 N LEU A 63 11.889 -2.251 -20.374 1.00 2.43 N ATOM 976 CA LEU A 63 11.070 -1.450 -19.470 1.00 25.34 C ATOM 977 C LEU A 63 11.420 0.030 -19.584 1.00 62.15 C ATOM 978 O LEU A 63 11.152 0.814 -18.674 1.00 33.21 O ATOM 979 CB LEU A 63 11.261 -1.921 -18.026 1.00 52.55 C ATOM 980 CG LEU A 63 11.724 -3.367 -17.847 1.00 44.43 C ATOM 981 CD1 LEU A 63 12.066 -3.641 -16.391 1.00 62.11 C ATOM 982 CD2 LEU A 63 10.657 -4.334 -18.338 1.00 12.41 C ATOM 0 H LEU A 63 12.811 -2.489 -20.009 1.00 2.43 H new ATOM 0 HA LEU A 63 10.026 -1.580 -19.754 1.00 25.34 H new ATOM 0 HB2 LEU A 63 11.987 -1.266 -17.544 1.00 52.55 H new ATOM 0 HB3 LEU A 63 10.317 -1.795 -17.496 1.00 52.55 H new ATOM 0 HG LEU A 63 12.623 -3.517 -18.444 1.00 44.43 H new ATOM 0 HD11 LEU A 63 12.394 -4.675 -16.283 1.00 62.11 H new ATOM 0 HD12 LEU A 63 12.865 -2.972 -16.073 1.00 62.11 H new ATOM 0 HD13 LEU A 63 11.184 -3.473 -15.772 1.00 62.11 H new ATOM 0 HD21 LEU A 63 11.004 -5.358 -18.203 1.00 12.41 H new ATOM 0 HD22 LEU A 63 9.740 -4.184 -17.769 1.00 12.41 H new ATOM 0 HD23 LEU A 63 10.461 -4.154 -19.395 1.00 12.41 H new ATOM 994 N ARG A 64 12.019 0.406 -20.710 1.00 32.40 N ATOM 995 CA ARG A 64 12.404 1.792 -20.944 1.00 62.04 C ATOM 996 C ARG A 64 11.199 2.720 -20.821 1.00 71.54 C ATOM 997 O ARG A 64 10.231 2.600 -21.571 1.00 61.54 O ATOM 998 CB ARG A 64 13.036 1.941 -22.330 1.00 23.35 C ATOM 999 CG ARG A 64 12.124 1.508 -23.465 1.00 74.42 C ATOM 1000 CD ARG A 64 12.873 1.440 -24.787 1.00 33.21 C ATOM 1001 NE ARG A 64 13.344 2.754 -25.217 1.00 20.52 N ATOM 1002 CZ ARG A 64 13.663 3.045 -26.473 1.00 54.11 C ATOM 1003 NH1 ARG A 64 13.560 2.121 -27.418 1.00 23.30 N ATOM 1004 NH2 ARG A 64 14.084 4.264 -26.786 1.00 70.32 N ATOM 0 H ARG A 64 12.248 -0.230 -21.474 1.00 32.40 H new ATOM 0 HA ARG A 64 13.135 2.072 -20.186 1.00 62.04 H new ATOM 0 HB2 ARG A 64 13.320 2.983 -22.480 1.00 23.35 H new ATOM 0 HB3 ARG A 64 13.953 1.352 -22.367 1.00 23.35 H new ATOM 0 HG2 ARG A 64 11.696 0.532 -23.237 1.00 74.42 H new ATOM 0 HG3 ARG A 64 11.293 2.208 -23.552 1.00 74.42 H new ATOM 0 HD2 ARG A 64 13.723 0.765 -24.688 1.00 33.21 H new ATOM 0 HD3 ARG A 64 12.220 1.020 -25.552 1.00 33.21 H new ATOM 0 HE ARG A 64 13.433 3.488 -24.514 1.00 20.52 H new ATOM 0 HH11 ARG A 64 13.235 1.184 -27.181 1.00 23.30 H new ATOM 0 HH12 ARG A 64 13.806 2.348 -28.382 1.00 23.30 H new ATOM 0 HH21 ARG A 64 14.163 4.978 -26.062 1.00 70.32 H new ATOM 0 HH22 ARG A 64 14.329 4.487 -27.751 1.00 70.32 H new ATOM 1018 N GLY A 65 11.265 3.645 -19.869 1.00 23.12 N ATOM 1019 CA GLY A 65 10.173 4.579 -19.664 1.00 64.33 C ATOM 1020 C GLY A 65 9.426 4.322 -18.371 1.00 54.10 C ATOM 1021 O GLY A 65 8.659 5.168 -17.911 1.00 42.13 O ATOM 0 H GLY A 65 12.055 3.765 -19.236 1.00 23.12 H new ATOM 0 HA2 GLY A 65 10.565 5.596 -19.658 1.00 64.33 H new ATOM 0 HA3 GLY A 65 9.478 4.511 -20.501 1.00 64.33 H new ATOM 1025 N MET A 66 9.647 3.151 -17.784 1.00 21.34 N ATOM 1026 CA MET A 66 8.987 2.785 -16.535 1.00 43.35 C ATOM 1027 C MET A 66 9.208 3.855 -15.470 1.00 64.43 C ATOM 1028 O MET A 66 10.194 4.591 -15.512 1.00 22.44 O ATOM 1029 CB MET A 66 9.506 1.436 -16.035 1.00 64.25 C ATOM 1030 CG MET A 66 8.521 0.699 -15.143 1.00 24.24 C ATOM 1031 SD MET A 66 8.440 -1.065 -15.506 1.00 60.40 S ATOM 1032 CE MET A 66 9.803 -1.678 -14.518 1.00 50.33 C ATOM 0 H MET A 66 10.278 2.439 -18.152 1.00 21.34 H new ATOM 0 HA MET A 66 7.917 2.705 -16.728 1.00 43.35 H new ATOM 0 HB2 MET A 66 9.747 0.808 -16.893 1.00 64.25 H new ATOM 0 HB3 MET A 66 10.434 1.594 -15.485 1.00 64.25 H new ATOM 0 HG2 MET A 66 8.806 0.839 -14.100 1.00 24.24 H new ATOM 0 HG3 MET A 66 7.530 1.137 -15.264 1.00 24.24 H new ATOM 0 HE1 MET A 66 9.649 -2.735 -14.301 1.00 50.33 H new ATOM 0 HE2 MET A 66 10.736 -1.553 -15.067 1.00 50.33 H new ATOM 0 HE3 MET A 66 9.855 -1.120 -13.583 1.00 50.33 H new ATOM 1042 N SER A 67 8.285 3.935 -14.518 1.00 32.32 N ATOM 1043 CA SER A 67 8.377 4.917 -13.444 1.00 42.01 C ATOM 1044 C SER A 67 9.170 4.360 -12.265 1.00 53.42 C ATOM 1045 O SER A 67 9.616 3.213 -12.288 1.00 23.13 O ATOM 1046 CB SER A 67 6.979 5.333 -12.983 1.00 20.43 C ATOM 1047 OG SER A 67 6.140 5.614 -14.089 1.00 54.21 O ATOM 0 H SER A 67 7.464 3.331 -14.468 1.00 32.32 H new ATOM 0 HA SER A 67 8.899 5.793 -13.829 1.00 42.01 H new ATOM 0 HB2 SER A 67 6.539 4.537 -12.382 1.00 20.43 H new ATOM 0 HB3 SER A 67 7.050 6.213 -12.344 1.00 20.43 H new ATOM 0 HG SER A 67 5.252 5.876 -13.768 1.00 54.21 H new ATOM 1053 N THR A 68 9.341 5.182 -11.234 1.00 52.23 N ATOM 1054 CA THR A 68 10.080 4.774 -10.046 1.00 52.52 C ATOM 1055 C THR A 68 9.278 3.780 -9.214 1.00 61.15 C ATOM 1056 O THR A 68 9.800 2.749 -8.790 1.00 50.44 O ATOM 1057 CB THR A 68 10.443 5.986 -9.167 1.00 41.12 C ATOM 1058 OG1 THR A 68 11.210 6.928 -9.925 1.00 2.52 O ATOM 1059 CG2 THR A 68 11.233 5.549 -7.943 1.00 22.01 C ATOM 0 H THR A 68 8.978 6.134 -11.198 1.00 52.23 H new ATOM 0 HA THR A 68 10.997 4.297 -10.392 1.00 52.52 H new ATOM 0 HB THR A 68 9.518 6.456 -8.834 1.00 41.12 H new ATOM 0 HG1 THR A 68 11.435 7.696 -9.360 1.00 2.52 H new ATOM 0 HG21 THR A 68 11.478 6.422 -7.338 1.00 22.01 H new ATOM 0 HG22 THR A 68 10.635 4.854 -7.353 1.00 22.01 H new ATOM 0 HG23 THR A 68 12.153 5.058 -8.260 1.00 22.01 H new ATOM 1067 N GLU A 69 8.007 4.096 -8.986 1.00 21.53 N ATOM 1068 CA GLU A 69 7.134 3.228 -8.204 1.00 20.11 C ATOM 1069 C GLU A 69 6.788 1.961 -8.981 1.00 43.02 C ATOM 1070 O GLU A 69 6.521 0.913 -8.394 1.00 15.14 O ATOM 1071 CB GLU A 69 5.852 3.970 -7.820 1.00 20.31 C ATOM 1072 CG GLU A 69 6.102 5.290 -7.110 1.00 71.24 C ATOM 1073 CD GLU A 69 4.885 6.195 -7.117 1.00 23.14 C ATOM 1074 OE1 GLU A 69 4.473 6.629 -8.213 1.00 24.34 O ATOM 1075 OE2 GLU A 69 4.345 6.469 -6.024 1.00 60.04 O ATOM 0 H GLU A 69 7.559 4.945 -9.331 1.00 21.53 H new ATOM 0 HA GLU A 69 7.666 2.943 -7.297 1.00 20.11 H new ATOM 0 HB2 GLU A 69 5.267 4.157 -8.720 1.00 20.31 H new ATOM 0 HB3 GLU A 69 5.250 3.329 -7.176 1.00 20.31 H new ATOM 0 HG2 GLU A 69 6.398 5.094 -6.080 1.00 71.24 H new ATOM 0 HG3 GLU A 69 6.935 5.804 -7.589 1.00 71.24 H new ATOM 1082 N SER A 70 6.796 2.066 -10.306 1.00 53.32 N ATOM 1083 CA SER A 70 6.479 0.931 -11.165 1.00 12.10 C ATOM 1084 C SER A 70 7.501 -0.187 -10.987 1.00 22.14 C ATOM 1085 O SER A 70 7.142 -1.357 -10.857 1.00 14.25 O ATOM 1086 CB SER A 70 6.436 1.369 -12.630 1.00 52.31 C ATOM 1087 OG SER A 70 5.200 1.990 -12.941 1.00 23.12 O ATOM 0 H SER A 70 7.019 2.926 -10.808 1.00 53.32 H new ATOM 0 HA SER A 70 5.498 0.553 -10.877 1.00 12.10 H new ATOM 0 HB2 SER A 70 7.254 2.060 -12.830 1.00 52.31 H new ATOM 0 HB3 SER A 70 6.584 0.504 -13.276 1.00 52.31 H new ATOM 0 HG SER A 70 5.198 2.262 -13.882 1.00 23.12 H new ATOM 1093 N ALA A 71 8.778 0.182 -10.982 1.00 11.23 N ATOM 1094 CA ALA A 71 9.853 -0.788 -10.817 1.00 61.05 C ATOM 1095 C ALA A 71 9.861 -1.366 -9.406 1.00 53.42 C ATOM 1096 O ALA A 71 9.878 -2.583 -9.222 1.00 44.21 O ATOM 1097 CB ALA A 71 11.196 -0.146 -11.134 1.00 71.54 C ATOM 0 H ALA A 71 9.093 1.146 -11.090 1.00 11.23 H new ATOM 0 HA ALA A 71 9.680 -1.607 -11.515 1.00 61.05 H new ATOM 0 HB1 ALA A 71 11.990 -0.882 -11.007 1.00 71.54 H new ATOM 0 HB2 ALA A 71 11.194 0.212 -12.164 1.00 71.54 H new ATOM 0 HB3 ALA A 71 11.367 0.693 -10.459 1.00 71.54 H new ATOM 1103 N LYS A 72 9.848 -0.485 -8.411 1.00 52.25 N ATOM 1104 CA LYS A 72 9.853 -0.906 -7.016 1.00 35.14 C ATOM 1105 C LYS A 72 8.686 -1.846 -6.727 1.00 10.41 C ATOM 1106 O LYS A 72 8.787 -2.731 -5.879 1.00 33.41 O ATOM 1107 CB LYS A 72 9.780 0.313 -6.093 1.00 72.22 C ATOM 1108 CG LYS A 72 11.008 1.203 -6.164 1.00 41.42 C ATOM 1109 CD LYS A 72 10.682 2.635 -5.772 1.00 64.12 C ATOM 1110 CE LYS A 72 11.759 3.226 -4.874 1.00 72.44 C ATOM 1111 NZ LYS A 72 13.076 3.302 -5.564 1.00 63.24 N ATOM 0 H LYS A 72 9.834 0.526 -8.546 1.00 52.25 H new ATOM 0 HA LYS A 72 10.784 -1.441 -6.828 1.00 35.14 H new ATOM 0 HB2 LYS A 72 8.900 0.902 -6.351 1.00 72.22 H new ATOM 0 HB3 LYS A 72 9.647 -0.027 -5.066 1.00 72.22 H new ATOM 0 HG2 LYS A 72 11.781 0.811 -5.503 1.00 41.42 H new ATOM 0 HG3 LYS A 72 11.414 1.185 -7.176 1.00 41.42 H new ATOM 0 HD2 LYS A 72 10.580 3.245 -6.670 1.00 64.12 H new ATOM 0 HD3 LYS A 72 9.722 2.663 -5.257 1.00 64.12 H new ATOM 0 HE2 LYS A 72 11.458 4.224 -4.555 1.00 72.44 H new ATOM 0 HE3 LYS A 72 11.855 2.619 -3.974 1.00 72.44 H new ATOM 0 HZ1 LYS A 72 13.597 4.136 -5.226 1.00 63.24 H new ATOM 0 HZ2 LYS A 72 13.626 2.443 -5.358 1.00 63.24 H new ATOM 0 HZ3 LYS A 72 12.926 3.380 -6.590 1.00 63.24 H new ATOM 1125 N GLU A 73 7.581 -1.646 -7.439 1.00 21.22 N ATOM 1126 CA GLU A 73 6.396 -2.477 -7.258 1.00 45.01 C ATOM 1127 C GLU A 73 6.635 -3.888 -7.789 1.00 40.42 C ATOM 1128 O GLU A 73 5.965 -4.837 -7.383 1.00 3.42 O ATOM 1129 CB GLU A 73 5.194 -1.850 -7.967 1.00 32.14 C ATOM 1130 CG GLU A 73 4.367 -0.941 -7.073 1.00 50.10 C ATOM 1131 CD GLU A 73 3.079 -0.489 -7.733 1.00 51.41 C ATOM 1132 OE1 GLU A 73 2.163 -1.324 -7.882 1.00 12.21 O ATOM 1133 OE2 GLU A 73 2.988 0.702 -8.101 1.00 35.44 O ATOM 0 H GLU A 73 7.482 -0.917 -8.145 1.00 21.22 H new ATOM 0 HA GLU A 73 6.187 -2.540 -6.190 1.00 45.01 H new ATOM 0 HB2 GLU A 73 5.547 -1.278 -8.826 1.00 32.14 H new ATOM 0 HB3 GLU A 73 4.556 -2.644 -8.353 1.00 32.14 H new ATOM 0 HG2 GLU A 73 4.132 -1.465 -6.147 1.00 50.10 H new ATOM 0 HG3 GLU A 73 4.959 -0.066 -6.803 1.00 50.10 H new ATOM 1140 N ALA A 74 7.594 -4.016 -8.700 1.00 72.14 N ATOM 1141 CA ALA A 74 7.922 -5.310 -9.286 1.00 43.35 C ATOM 1142 C ALA A 74 8.983 -6.032 -8.462 1.00 74.35 C ATOM 1143 O ALA A 74 9.075 -7.260 -8.491 1.00 51.21 O ATOM 1144 CB ALA A 74 8.396 -5.134 -10.722 1.00 13.12 C ATOM 0 H ALA A 74 8.157 -3.240 -9.048 1.00 72.14 H new ATOM 0 HA ALA A 74 7.020 -5.921 -9.285 1.00 43.35 H new ATOM 0 HB1 ALA A 74 8.638 -6.108 -11.147 1.00 13.12 H new ATOM 0 HB2 ALA A 74 7.607 -4.666 -11.311 1.00 13.12 H new ATOM 0 HB3 ALA A 74 9.283 -4.501 -10.737 1.00 13.12 H new ATOM 1150 N TYR A 75 9.781 -5.264 -7.730 1.00 11.01 N ATOM 1151 CA TYR A 75 10.837 -5.831 -6.900 1.00 62.22 C ATOM 1152 C TYR A 75 10.250 -6.589 -5.714 1.00 30.44 C ATOM 1153 O TYR A 75 10.897 -7.466 -5.140 1.00 10.42 O ATOM 1154 CB TYR A 75 11.772 -4.727 -6.402 1.00 72.44 C ATOM 1155 CG TYR A 75 13.178 -5.206 -6.122 1.00 4.12 C ATOM 1156 CD1 TYR A 75 13.457 -5.994 -5.012 1.00 1.42 C ATOM 1157 CD2 TYR A 75 14.229 -4.871 -6.968 1.00 13.24 C ATOM 1158 CE1 TYR A 75 14.741 -6.432 -4.751 1.00 71.24 C ATOM 1159 CE2 TYR A 75 15.515 -5.306 -6.716 1.00 24.22 C ATOM 1160 CZ TYR A 75 15.766 -6.086 -5.606 1.00 65.12 C ATOM 1161 OH TYR A 75 17.046 -6.522 -5.351 1.00 24.20 O ATOM 0 H TYR A 75 9.717 -4.247 -7.694 1.00 11.01 H new ATOM 0 HA TYR A 75 11.406 -6.532 -7.510 1.00 62.22 H new ATOM 0 HB2 TYR A 75 11.810 -3.931 -7.146 1.00 72.44 H new ATOM 0 HB3 TYR A 75 11.357 -4.294 -5.492 1.00 72.44 H new ATOM 0 HD1 TYR A 75 12.656 -6.269 -4.342 1.00 1.42 H new ATOM 0 HD2 TYR A 75 14.036 -4.260 -7.837 1.00 13.24 H new ATOM 0 HE1 TYR A 75 14.941 -7.042 -3.882 1.00 71.24 H new ATOM 0 HE2 TYR A 75 16.320 -5.037 -7.384 1.00 24.22 H new ATOM 0 HH TYR A 75 17.303 -7.191 -6.019 1.00 24.20 H new ATOM 1171 N VAL A 76 9.018 -6.246 -5.351 1.00 41.42 N ATOM 1172 CA VAL A 76 8.341 -6.894 -4.234 1.00 51.34 C ATOM 1173 C VAL A 76 7.576 -8.128 -4.697 1.00 72.44 C ATOM 1174 O VAL A 76 7.507 -9.132 -3.988 1.00 34.22 O ATOM 1175 CB VAL A 76 7.364 -5.930 -3.535 1.00 32.20 C ATOM 1176 CG1 VAL A 76 6.627 -6.640 -2.409 1.00 63.23 C ATOM 1177 CG2 VAL A 76 8.104 -4.709 -3.012 1.00 11.53 C ATOM 0 H VAL A 76 8.468 -5.523 -5.815 1.00 41.42 H new ATOM 0 HA VAL A 76 9.114 -7.194 -3.526 1.00 51.34 H new ATOM 0 HB VAL A 76 6.627 -5.595 -4.265 1.00 32.20 H new ATOM 0 HG11 VAL A 76 5.941 -5.943 -1.927 1.00 63.23 H new ATOM 0 HG12 VAL A 76 6.064 -7.480 -2.816 1.00 63.23 H new ATOM 0 HG13 VAL A 76 7.347 -7.006 -1.677 1.00 63.23 H new ATOM 0 HG21 VAL A 76 7.399 -4.039 -2.521 1.00 11.53 H new ATOM 0 HG22 VAL A 76 8.864 -5.023 -2.297 1.00 11.53 H new ATOM 0 HG23 VAL A 76 8.581 -4.189 -3.843 1.00 11.53 H new ATOM 1187 N LYS A 77 7.002 -8.048 -5.893 1.00 62.22 N ATOM 1188 CA LYS A 77 6.243 -9.159 -6.454 1.00 74.30 C ATOM 1189 C LYS A 77 7.173 -10.195 -7.077 1.00 22.12 C ATOM 1190 O LYS A 77 6.873 -11.390 -7.085 1.00 13.42 O ATOM 1191 CB LYS A 77 5.254 -8.649 -7.505 1.00 31.22 C ATOM 1192 CG LYS A 77 4.045 -7.947 -6.912 1.00 14.01 C ATOM 1193 CD LYS A 77 2.797 -8.185 -7.746 1.00 41.32 C ATOM 1194 CE LYS A 77 1.562 -7.597 -7.081 1.00 53.05 C ATOM 1195 NZ LYS A 77 1.564 -6.108 -7.124 1.00 60.51 N ATOM 0 H LYS A 77 7.048 -7.224 -6.493 1.00 62.22 H new ATOM 0 HA LYS A 77 5.690 -9.634 -5.643 1.00 74.30 H new ATOM 0 HB2 LYS A 77 5.771 -7.961 -8.175 1.00 31.22 H new ATOM 0 HB3 LYS A 77 4.915 -9.489 -8.111 1.00 31.22 H new ATOM 0 HG2 LYS A 77 3.878 -8.304 -5.896 1.00 14.01 H new ATOM 0 HG3 LYS A 77 4.241 -6.877 -6.846 1.00 14.01 H new ATOM 0 HD2 LYS A 77 2.927 -7.740 -8.733 1.00 41.32 H new ATOM 0 HD3 LYS A 77 2.656 -9.256 -7.895 1.00 41.32 H new ATOM 0 HE2 LYS A 77 0.668 -7.973 -7.578 1.00 53.05 H new ATOM 0 HE3 LYS A 77 1.514 -7.930 -6.044 1.00 53.05 H new ATOM 0 HZ1 LYS A 77 0.706 -5.746 -6.661 1.00 60.51 H new ATOM 0 HZ2 LYS A 77 2.404 -5.747 -6.628 1.00 60.51 H new ATOM 0 HZ3 LYS A 77 1.584 -5.789 -8.114 1.00 60.51 H new ATOM 1209 N LEU A 78 8.304 -9.731 -7.596 1.00 42.15 N ATOM 1210 CA LEU A 78 9.280 -10.618 -8.220 1.00 42.33 C ATOM 1211 C LEU A 78 10.135 -11.314 -7.166 1.00 73.53 C ATOM 1212 O LEU A 78 10.337 -12.528 -7.219 1.00 21.42 O ATOM 1213 CB LEU A 78 10.175 -9.830 -9.179 1.00 74.13 C ATOM 1214 CG LEU A 78 11.116 -10.660 -10.053 1.00 3.51 C ATOM 1215 CD1 LEU A 78 12.324 -11.117 -9.250 1.00 62.45 C ATOM 1216 CD2 LEU A 78 10.382 -11.854 -10.643 1.00 71.45 C ATOM 0 H LEU A 78 8.568 -8.746 -7.597 1.00 42.15 H new ATOM 0 HA LEU A 78 8.737 -11.378 -8.781 1.00 42.33 H new ATOM 0 HB2 LEU A 78 9.538 -9.233 -9.831 1.00 74.13 H new ATOM 0 HB3 LEU A 78 10.775 -9.133 -8.594 1.00 74.13 H new ATOM 0 HG LEU A 78 11.466 -10.034 -10.874 1.00 3.51 H new ATOM 0 HD11 LEU A 78 12.983 -11.706 -9.888 1.00 62.45 H new ATOM 0 HD12 LEU A 78 12.863 -10.246 -8.877 1.00 62.45 H new ATOM 0 HD13 LEU A 78 11.993 -11.726 -8.409 1.00 62.45 H new ATOM 0 HD21 LEU A 78 11.067 -12.433 -11.262 1.00 71.45 H new ATOM 0 HD22 LEU A 78 10.002 -12.482 -9.837 1.00 71.45 H new ATOM 0 HD23 LEU A 78 9.550 -11.504 -11.253 1.00 71.45 H new ATOM 1228 N LEU A 79 10.632 -10.540 -6.209 1.00 3.51 N ATOM 1229 CA LEU A 79 11.464 -11.082 -5.140 1.00 74.20 C ATOM 1230 C LEU A 79 10.770 -12.254 -4.453 1.00 23.41 C ATOM 1231 O LEU A 79 11.423 -13.117 -3.865 1.00 44.21 O ATOM 1232 CB LEU A 79 11.786 -9.993 -4.115 1.00 32.50 C ATOM 1233 CG LEU A 79 12.643 -10.425 -2.925 1.00 2.23 C ATOM 1234 CD1 LEU A 79 13.826 -11.258 -3.393 1.00 44.50 C ATOM 1235 CD2 LEU A 79 13.120 -9.210 -2.143 1.00 1.43 C ATOM 0 H LEU A 79 10.474 -9.534 -6.151 1.00 3.51 H new ATOM 0 HA LEU A 79 12.393 -11.441 -5.582 1.00 74.20 H new ATOM 0 HB2 LEU A 79 12.297 -9.178 -4.628 1.00 32.50 H new ATOM 0 HB3 LEU A 79 10.847 -9.591 -3.734 1.00 32.50 H new ATOM 0 HG LEU A 79 12.031 -11.040 -2.265 1.00 2.23 H new ATOM 0 HD11 LEU A 79 14.424 -11.556 -2.532 1.00 44.50 H new ATOM 0 HD12 LEU A 79 13.464 -12.147 -3.909 1.00 44.50 H new ATOM 0 HD13 LEU A 79 14.439 -10.668 -4.074 1.00 44.50 H new ATOM 0 HD21 LEU A 79 13.729 -9.536 -1.300 1.00 1.43 H new ATOM 0 HD22 LEU A 79 13.715 -8.569 -2.794 1.00 1.43 H new ATOM 0 HD23 LEU A 79 12.258 -8.653 -1.775 1.00 1.43 H new ATOM 1247 N ASP A 80 9.445 -12.280 -4.533 1.00 34.21 N ATOM 1248 CA ASP A 80 8.662 -13.348 -3.922 1.00 24.45 C ATOM 1249 C ASP A 80 9.035 -14.703 -4.516 1.00 30.13 C ATOM 1250 O ASP A 80 8.873 -15.741 -3.873 1.00 72.34 O ATOM 1251 CB ASP A 80 7.167 -13.088 -4.112 1.00 3.20 C ATOM 1252 CG ASP A 80 6.306 -14.040 -3.306 1.00 24.23 C ATOM 1253 OD1 ASP A 80 6.392 -14.008 -2.060 1.00 13.10 O ATOM 1254 OD2 ASP A 80 5.547 -14.817 -3.920 1.00 74.43 O ATOM 0 H ASP A 80 8.890 -11.573 -5.015 1.00 34.21 H new ATOM 0 HA ASP A 80 8.886 -13.364 -2.855 1.00 24.45 H new ATOM 0 HB2 ASP A 80 6.940 -12.062 -3.821 1.00 3.20 H new ATOM 0 HB3 ASP A 80 6.916 -13.182 -5.169 1.00 3.20 H new ATOM 1259 N THR A 81 9.535 -14.686 -5.748 1.00 34.24 N ATOM 1260 CA THR A 81 9.928 -15.913 -6.430 1.00 1.43 C ATOM 1261 C THR A 81 11.316 -16.365 -5.991 1.00 10.14 C ATOM 1262 O THR A 81 11.642 -17.551 -6.053 1.00 64.01 O ATOM 1263 CB THR A 81 9.919 -15.732 -7.959 1.00 65.14 C ATOM 1264 OG1 THR A 81 9.820 -17.008 -8.603 1.00 12.44 O ATOM 1265 CG2 THR A 81 11.179 -15.020 -8.427 1.00 45.44 C ATOM 0 H THR A 81 9.677 -13.836 -6.294 1.00 34.24 H new ATOM 0 HA THR A 81 9.198 -16.675 -6.157 1.00 1.43 H new ATOM 0 HB THR A 81 9.055 -15.122 -8.225 1.00 65.14 H new ATOM 0 HG1 THR A 81 9.813 -16.884 -9.575 1.00 12.44 H new ATOM 0 HG21 THR A 81 11.150 -14.904 -9.510 1.00 45.44 H new ATOM 0 HG22 THR A 81 11.237 -14.038 -7.958 1.00 45.44 H new ATOM 0 HG23 THR A 81 12.054 -15.608 -8.149 1.00 45.44 H new ATOM 1273 N LEU A 82 12.130 -15.414 -5.546 1.00 13.13 N ATOM 1274 CA LEU A 82 13.484 -15.715 -5.095 1.00 0.04 C ATOM 1275 C LEU A 82 13.500 -16.051 -3.607 1.00 23.31 C ATOM 1276 O LEU A 82 13.962 -17.119 -3.207 1.00 62.50 O ATOM 1277 CB LEU A 82 14.410 -14.529 -5.371 1.00 63.54 C ATOM 1278 CG LEU A 82 14.462 -14.042 -6.820 1.00 22.12 C ATOM 1279 CD1 LEU A 82 14.333 -12.528 -6.878 1.00 41.14 C ATOM 1280 CD2 LEU A 82 15.751 -14.496 -7.489 1.00 44.41 C ATOM 0 H LEU A 82 11.876 -14.428 -5.488 1.00 13.13 H new ATOM 0 HA LEU A 82 13.840 -16.583 -5.649 1.00 0.04 H new ATOM 0 HB2 LEU A 82 14.099 -13.696 -4.740 1.00 63.54 H new ATOM 0 HB3 LEU A 82 15.419 -14.803 -5.064 1.00 63.54 H new ATOM 0 HG LEU A 82 13.623 -14.479 -7.361 1.00 22.12 H new ATOM 0 HD11 LEU A 82 14.372 -12.199 -7.916 1.00 41.14 H new ATOM 0 HD12 LEU A 82 13.383 -12.227 -6.437 1.00 41.14 H new ATOM 0 HD13 LEU A 82 15.152 -12.072 -6.322 1.00 41.14 H new ATOM 0 HD21 LEU A 82 15.771 -14.141 -8.519 1.00 44.41 H new ATOM 0 HD22 LEU A 82 16.605 -14.088 -6.948 1.00 44.41 H new ATOM 0 HD23 LEU A 82 15.802 -15.585 -7.480 1.00 44.41 H new ATOM 1292 N ALA A 83 12.991 -15.133 -2.792 1.00 42.13 N ATOM 1293 CA ALA A 83 12.943 -15.334 -1.349 1.00 43.24 C ATOM 1294 C ALA A 83 11.666 -14.749 -0.756 1.00 4.43 C ATOM 1295 O ALA A 83 11.655 -13.642 -0.215 1.00 74.34 O ATOM 1296 CB ALA A 83 14.167 -14.715 -0.690 1.00 15.35 C ATOM 0 H ALA A 83 12.606 -14.242 -3.107 1.00 42.13 H new ATOM 0 HA ALA A 83 12.943 -16.407 -1.155 1.00 43.24 H new ATOM 0 HB1 ALA A 83 14.119 -14.872 0.388 1.00 15.35 H new ATOM 0 HB2 ALA A 83 15.069 -15.183 -1.085 1.00 15.35 H new ATOM 0 HB3 ALA A 83 14.192 -13.646 -0.900 1.00 15.35 H new ATOM 1302 N PRO A 84 10.564 -15.506 -0.858 1.00 22.15 N ATOM 1303 CA PRO A 84 9.261 -15.082 -0.336 1.00 64.22 C ATOM 1304 C PRO A 84 9.226 -15.062 1.188 1.00 34.11 C ATOM 1305 O PRO A 84 8.245 -14.625 1.790 1.00 75.43 O ATOM 1306 CB PRO A 84 8.300 -16.142 -0.880 1.00 31.02 C ATOM 1307 CG PRO A 84 9.148 -17.348 -1.095 1.00 33.04 C ATOM 1308 CD PRO A 84 10.505 -16.835 -1.489 1.00 21.11 C ATOM 0 HA PRO A 84 9.011 -14.065 -0.639 1.00 64.22 H new ATOM 0 HB2 PRO A 84 7.494 -16.345 -0.174 1.00 31.02 H new ATOM 0 HB3 PRO A 84 7.835 -15.815 -1.810 1.00 31.02 H new ATOM 0 HG2 PRO A 84 9.207 -17.950 -0.189 1.00 33.04 H new ATOM 0 HG3 PRO A 84 8.730 -17.985 -1.875 1.00 33.04 H new ATOM 0 HD2 PRO A 84 11.301 -17.487 -1.129 1.00 21.11 H new ATOM 0 HD3 PRO A 84 10.611 -16.771 -2.572 1.00 21.11 H new ATOM 1316 N SER A 85 10.302 -15.537 1.807 1.00 33.20 N ATOM 1317 CA SER A 85 10.392 -15.577 3.262 1.00 54.21 C ATOM 1318 C SER A 85 10.639 -14.182 3.829 1.00 34.10 C ATOM 1319 O SER A 85 10.664 -13.990 5.045 1.00 75.23 O ATOM 1320 CB SER A 85 11.511 -16.523 3.699 1.00 22.23 C ATOM 1321 OG SER A 85 11.042 -17.857 3.799 1.00 40.40 O ATOM 0 H SER A 85 11.124 -15.900 1.324 1.00 33.20 H new ATOM 0 HA SER A 85 9.443 -15.946 3.650 1.00 54.21 H new ATOM 0 HB2 SER A 85 12.332 -16.476 2.983 1.00 22.23 H new ATOM 0 HB3 SER A 85 11.908 -16.201 4.661 1.00 22.23 H new ATOM 0 HG SER A 85 11.777 -18.442 4.078 1.00 40.40 H new ATOM 1327 N TRP A 86 10.820 -13.213 2.940 1.00 45.23 N ATOM 1328 CA TRP A 86 11.066 -11.835 3.351 1.00 52.04 C ATOM 1329 C TRP A 86 9.756 -11.114 3.648 1.00 74.12 C ATOM 1330 O TRP A 86 9.715 -10.191 4.462 1.00 61.33 O ATOM 1331 CB TRP A 86 11.839 -11.087 2.263 1.00 13.22 C ATOM 1332 CG TRP A 86 10.958 -10.524 1.189 1.00 10.31 C ATOM 1333 CD1 TRP A 86 10.140 -11.224 0.349 1.00 0.01 C ATOM 1334 CD2 TRP A 86 10.809 -9.143 0.839 1.00 61.50 C ATOM 1335 NE1 TRP A 86 9.492 -10.362 -0.502 1.00 74.12 N ATOM 1336 CE2 TRP A 86 9.884 -9.080 -0.222 1.00 21.25 C ATOM 1337 CE3 TRP A 86 11.365 -7.955 1.319 1.00 4.12 C ATOM 1338 CZ2 TRP A 86 9.506 -7.875 -0.808 1.00 62.42 C ATOM 1339 CZ3 TRP A 86 10.989 -6.760 0.736 1.00 64.14 C ATOM 1340 CH2 TRP A 86 10.067 -6.727 -0.318 1.00 74.23 C ATOM 0 H TRP A 86 10.801 -13.355 1.930 1.00 45.23 H new ATOM 0 HA TRP A 86 11.663 -11.855 4.263 1.00 52.04 H new ATOM 0 HB2 TRP A 86 12.404 -10.276 2.722 1.00 13.22 H new ATOM 0 HB3 TRP A 86 12.563 -11.765 1.811 1.00 13.22 H new ATOM 0 HD1 TRP A 86 10.020 -12.297 0.353 1.00 0.01 H new ATOM 0 HE1 TRP A 86 8.826 -10.633 -1.226 1.00 74.12 H new ATOM 0 HE3 TRP A 86 12.076 -7.970 2.132 1.00 4.12 H new ATOM 0 HZ2 TRP A 86 8.795 -7.847 -1.621 1.00 62.42 H new ATOM 0 HZ3 TRP A 86 11.413 -5.836 1.099 1.00 64.14 H new ATOM 0 HH2 TRP A 86 9.793 -5.777 -0.753 1.00 74.23 H new ATOM 1351 N ARG A 87 8.686 -11.541 2.984 1.00 45.24 N ATOM 1352 CA ARG A 87 7.375 -10.934 3.177 1.00 72.53 C ATOM 1353 C ARG A 87 6.623 -11.617 4.316 1.00 52.23 C ATOM 1354 O ARG A 87 5.734 -11.026 4.928 1.00 42.24 O ATOM 1355 CB ARG A 87 6.555 -11.019 1.888 1.00 64.14 C ATOM 1356 CG ARG A 87 6.408 -12.434 1.351 1.00 10.35 C ATOM 1357 CD ARG A 87 5.286 -12.528 0.330 1.00 52.15 C ATOM 1358 NE ARG A 87 5.498 -11.627 -0.801 1.00 34.44 N ATOM 1359 CZ ARG A 87 4.604 -11.436 -1.765 1.00 4.31 C ATOM 1360 NH1 ARG A 87 3.445 -12.078 -1.736 1.00 53.22 N ATOM 1361 NH2 ARG A 87 4.870 -10.600 -2.760 1.00 42.25 N ATOM 0 H ARG A 87 8.702 -12.305 2.308 1.00 45.24 H new ATOM 0 HA ARG A 87 7.522 -9.886 3.438 1.00 72.53 H new ATOM 0 HB2 ARG A 87 5.564 -10.604 2.070 1.00 64.14 H new ATOM 0 HB3 ARG A 87 7.026 -10.398 1.126 1.00 64.14 H new ATOM 0 HG2 ARG A 87 7.345 -12.750 0.893 1.00 10.35 H new ATOM 0 HG3 ARG A 87 6.209 -13.119 2.176 1.00 10.35 H new ATOM 0 HD2 ARG A 87 5.211 -13.553 -0.032 1.00 52.15 H new ATOM 0 HD3 ARG A 87 4.337 -12.289 0.811 1.00 52.15 H new ATOM 0 HE ARG A 87 6.380 -11.117 -0.853 1.00 34.44 H new ATOM 0 HH11 ARG A 87 3.237 -12.721 -0.972 1.00 53.22 H new ATOM 0 HH12 ARG A 87 2.761 -11.929 -2.478 1.00 53.22 H new ATOM 0 HH21 ARG A 87 5.761 -10.104 -2.785 1.00 42.25 H new ATOM 0 HH22 ARG A 87 4.184 -10.453 -3.500 1.00 42.25 H new ATOM 1375 N ASN A 88 6.986 -12.865 4.594 1.00 52.23 N ATOM 1376 CA ASN A 88 6.345 -13.628 5.658 1.00 32.13 C ATOM 1377 C ASN A 88 7.385 -14.241 6.590 1.00 24.34 C ATOM 1378 O ASN A 88 7.529 -13.821 7.738 1.00 3.40 O ATOM 1379 CB ASN A 88 5.463 -14.729 5.065 1.00 22.02 C ATOM 1380 CG ASN A 88 6.225 -16.021 4.839 1.00 40.40 C ATOM 1381 OD1 ASN A 88 6.134 -16.956 5.635 1.00 54.34 O ATOM 1382 ND2 ASN A 88 6.982 -16.078 3.750 1.00 43.34 N ATOM 0 H ASN A 88 7.721 -13.369 4.097 1.00 52.23 H new ATOM 0 HA ASN A 88 5.722 -12.945 6.236 1.00 32.13 H new ATOM 0 HB2 ASN A 88 4.623 -14.918 5.734 1.00 22.02 H new ATOM 0 HB3 ASN A 88 5.046 -14.386 4.118 1.00 22.02 H new ATOM 0 HD21 ASN A 88 7.518 -16.921 3.545 1.00 43.34 H new ATOM 0 HD22 ASN A 88 7.027 -15.279 3.118 1.00 43.34 H new