USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 0 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 44 CYS SG : rot 16:sc= -3.64! USER MOD Set 1.2: A 50 CYS SG : rot -92:sc= -2.84! USER MOD Set 1.3: A 60 CYS SG : rot -60:sc= -2.63! USER MOD Set 1.4: A 61 GLN : amide:sc= 0.657 K(o=-12,f=-22!) USER MOD Set 1.5: A 63 CYS SG : rot -69:sc= -3.53! USER MOD Set 2.1: A 43 THR OG1 : rot 180:sc= 0.411 USER MOD Set 2.2: A 48 LYS NZ :NH3+ -126:sc= 0.441 (180deg=0.416) USER MOD Set 3.1: A 40 MET CE :methyl -140:sc= -0.32 (180deg=-2.39!) USER MOD Set 3.2: A 42 TYR OH : rot 5:sc= 0.295 USER MOD Set 3.3: A 66 GLN : amide:sc= -1.39! K(o=-1.4!,f=-2.6) USER MOD Set 4.1: A 38 LYS NZ :NH3+ 149:sc= -6.83! (180deg=-1.13) USER MOD Set 4.2: A 39 ASN : amide:sc= -12.8! C(o=-20!,f=-5.3!) USER MOD Set 5.1: A 37 GLN : amide:sc= 0.311 K(o=-1.2,f=-4) USER MOD Set 5.2: A 75 LYS NZ :NH3+ -174:sc= -1.53 (180deg=-2.46!) USER MOD Set 6.1: A 8 CYS SG : rot -123:sc= -1.91! USER MOD Set 6.2: A 11 CYS SG : rot -100:sc= 0.285 USER MOD Set 6.3: A 25 CYS SG : rot -21:sc= 0.00366 USER MOD Set 6.4: A 28 CYS SG : rot 164:sc= 0.524 USER MOD Set 6.5: A 68 CYS SG : rot -149:sc= -0.519 USER MOD Set 7.1: A 18 TYR OH : rot 8:sc= -2.1! USER MOD Set 7.2: A 19 HIS : no HD1:sc= -0.612 X(o=-2.7,f=-2.2!) USER MOD Set 8.1: A 6 LYS NZ :NH3+ -179:sc= 0.88 (180deg=0.376) USER MOD Set 8.2: A 12 GLN : amide:sc= -0.597! C(o=0.28!,f=-3.2!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= -1.24 USER MOD Single : A 23 SER OG : rot 140:sc= -0.789 USER MOD Single : A 29 LYS NZ :NH3+ -145:sc= -1.99 (180deg=-4.8!) USER MOD Single : A 35 SER OG : rot 110:sc= -0.254 USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 49 ASN : amide:sc= -0.983 K(o=-0.98,f=-3.9!) USER MOD Single : A 53 ASN : amide:sc= -1.51 K(o=-1.5,f=-2.4) USER MOD Single : A 54 LYS NZ :NH3+ -105:sc= 0.632 (180deg=-0.00291) USER MOD Single : A 56 THR OG1 : rot -159:sc= -0.16 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -178:sc= 1.23 (180deg=1.22) USER MOD Single : A 73 MET CE :methyl 158:sc= -0.254 (180deg=-0.775) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 42:sc= 0.397 USER MOD Single : A 80 ASN : amide:sc= -0.159 K(o=-0.16,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 6 7.828 10.168 1.079 1.00 0.00 N ATOM 47 CA LYS A 6 6.839 9.066 1.013 1.00 0.00 C ATOM 48 C LYS A 6 6.239 8.792 -0.358 1.00 0.00 C ATOM 49 O LYS A 6 6.172 7.606 -0.691 1.00 0.00 O ATOM 50 CB LYS A 6 5.692 9.258 2.009 1.00 0.00 C ATOM 51 CG LYS A 6 6.119 10.025 3.244 1.00 0.00 C ATOM 52 CD LYS A 6 6.799 9.141 4.304 1.00 0.00 C ATOM 53 CE LYS A 6 8.103 9.762 4.809 1.00 0.00 C ATOM 54 NZ LYS A 6 9.070 9.804 3.713 1.00 0.00 N ATOM 0 HA LYS A 6 7.441 8.195 1.274 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.875 9.789 1.520 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.306 8.283 2.306 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.804 10.820 2.951 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.245 10.504 3.686 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.119 8.991 5.143 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.005 8.158 3.880 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.919 10.768 5.186 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.501 9.178 5.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.965 10.210 4.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.239 8.840 3.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.695 10.393 2.942 1.00 0.00 H new ATOM 55 N PRO A 7 5.540 9.750 -0.982 1.00 0.00 N ATOM 56 CA PRO A 7 4.113 10.039 -0.791 1.00 0.00 C ATOM 57 C PRO A 7 3.146 8.999 -1.411 1.00 0.00 C ATOM 58 O PRO A 7 2.356 9.203 -2.317 1.00 0.00 O ATOM 59 CB PRO A 7 3.929 11.484 -1.271 1.00 0.00 C ATOM 60 CG PRO A 7 5.337 12.017 -1.496 1.00 0.00 C ATOM 61 CD PRO A 7 6.140 10.756 -1.819 1.00 0.00 C ATOM 0 HA PRO A 7 3.830 9.947 0.258 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.343 11.521 -2.189 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.397 12.080 -0.529 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.369 12.736 -2.315 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.722 12.524 -0.611 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.068 10.494 -2.875 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.199 10.886 -1.594 1.00 0.00 H new ATOM 62 N CYS A 8 3.566 7.799 -1.078 1.00 0.00 N ATOM 63 CA CYS A 8 2.970 6.489 -1.377 1.00 0.00 C ATOM 64 C CYS A 8 1.862 5.870 -0.528 1.00 0.00 C ATOM 65 O CYS A 8 0.952 5.313 -1.124 1.00 0.00 O ATOM 66 CB CYS A 8 4.190 5.585 -1.466 1.00 0.00 C ATOM 67 SG CYS A 8 5.098 5.466 -3.050 1.00 0.00 S ATOM 0 H CYS A 8 4.422 7.691 -0.534 1.00 0.00 H new ATOM 0 HA CYS A 8 2.357 6.627 -2.268 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.898 5.914 -0.706 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.873 4.578 -1.193 1.00 0.00 H new ATOM 0 HG CYS A 8 5.150 4.223 -3.428 1.00 0.00 H new ATOM 68 N PHE A 9 1.785 5.974 0.796 1.00 0.00 N ATOM 69 CA PHE A 9 2.676 6.718 1.700 1.00 0.00 C ATOM 70 C PHE A 9 3.908 5.922 2.229 1.00 0.00 C ATOM 71 O PHE A 9 4.823 6.452 2.857 1.00 0.00 O ATOM 72 CB PHE A 9 1.878 7.356 2.838 1.00 0.00 C ATOM 73 CG PHE A 9 2.631 8.158 3.878 1.00 0.00 C ATOM 74 CD1 PHE A 9 2.671 9.549 3.652 1.00 0.00 C ATOM 75 CD2 PHE A 9 2.882 7.619 5.161 1.00 0.00 C ATOM 76 CE1 PHE A 9 2.927 10.421 4.704 1.00 0.00 C ATOM 77 CE2 PHE A 9 3.104 8.495 6.240 1.00 0.00 C ATOM 78 CZ PHE A 9 3.102 9.894 6.000 1.00 0.00 C ATOM 0 H PHE A 9 1.040 5.505 1.312 1.00 0.00 H new ATOM 0 HA PHE A 9 3.118 7.503 1.086 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.128 8.009 2.393 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.342 6.561 3.355 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.502 9.938 2.659 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.903 6.550 5.311 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.991 11.485 4.531 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.273 8.109 7.234 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.238 10.571 6.830 1.00 0.00 H new ATOM 79 N VAL A 10 4.045 4.728 1.673 1.00 0.00 N ATOM 80 CA VAL A 10 4.873 3.653 2.225 1.00 0.00 C ATOM 81 C VAL A 10 5.946 3.054 1.299 1.00 0.00 C ATOM 82 O VAL A 10 7.022 2.668 1.768 1.00 0.00 O ATOM 83 CB VAL A 10 3.821 2.652 2.681 1.00 0.00 C ATOM 84 CG1 VAL A 10 4.109 1.156 2.610 1.00 0.00 C ATOM 85 CG2 VAL A 10 3.168 3.044 4.028 1.00 0.00 C ATOM 0 H VAL A 10 3.575 4.468 0.806 1.00 0.00 H new ATOM 0 HA VAL A 10 5.526 4.019 3.018 1.00 0.00 H new ATOM 0 HB VAL A 10 3.108 2.761 1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.245 0.601 2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.310 0.873 1.577 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.978 0.923 3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.426 2.295 4.304 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.934 3.099 4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.683 4.015 3.928 1.00 0.00 H new ATOM 86 N CYS A 11 5.677 3.079 -0.003 1.00 0.00 N ATOM 87 CA CYS A 11 6.406 2.271 -0.995 1.00 0.00 C ATOM 88 C CYS A 11 7.199 3.004 -2.090 1.00 0.00 C ATOM 89 O CYS A 11 7.272 2.513 -3.209 1.00 0.00 O ATOM 90 CB CYS A 11 5.379 1.242 -1.541 1.00 0.00 C ATOM 91 SG CYS A 11 4.644 1.510 -3.200 1.00 0.00 S ATOM 0 H CYS A 11 4.944 3.661 -0.409 1.00 0.00 H new ATOM 0 HA CYS A 11 7.244 1.796 -0.485 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.865 0.266 -1.551 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.560 1.183 -0.824 1.00 0.00 H new ATOM 0 HG CYS A 11 3.460 2.031 -3.071 1.00 0.00 H new ATOM 92 N GLN A 12 7.983 4.064 -1.899 1.00 0.00 N ATOM 93 CA GLN A 12 8.343 4.958 -0.778 1.00 0.00 C ATOM 94 C GLN A 12 8.937 6.266 -1.353 1.00 0.00 C ATOM 95 O GLN A 12 10.052 6.675 -1.042 1.00 0.00 O ATOM 96 CB GLN A 12 9.298 4.232 0.185 1.00 0.00 C ATOM 97 CG GLN A 12 9.825 5.021 1.387 1.00 0.00 C ATOM 98 CD GLN A 12 8.822 5.913 2.129 1.00 0.00 C ATOM 99 OE1 GLN A 12 9.077 7.062 2.430 1.00 0.00 O ATOM 100 NE2 GLN A 12 7.719 5.344 2.573 1.00 0.00 N ATOM 0 H GLN A 12 8.499 4.389 -2.717 1.00 0.00 H new ATOM 0 HA GLN A 12 7.462 5.226 -0.195 1.00 0.00 H new ATOM 0 HB2 GLN A 12 8.786 3.347 0.562 1.00 0.00 H new ATOM 0 HB3 GLN A 12 10.155 3.884 -0.391 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.241 4.311 2.102 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.648 5.648 1.046 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.505 4.379 2.320 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.079 5.868 3.170 1.00 0.00 H new ATOM 124 N SER A 16 0.930 11.317 -5.863 1.00 0.00 N ATOM 125 CA SER A 16 0.273 12.573 -6.271 1.00 0.00 C ATOM 126 C SER A 16 -1.206 12.820 -5.931 1.00 0.00 C ATOM 127 O SER A 16 -2.016 11.901 -5.982 1.00 0.00 O ATOM 128 CB SER A 16 0.351 12.975 -7.748 1.00 0.00 C ATOM 129 OG SER A 16 1.707 13.167 -8.146 1.00 0.00 O ATOM 0 HA SER A 16 0.919 13.167 -5.625 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.109 12.203 -8.365 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.215 13.892 -7.911 1.00 0.00 H new ATOM 0 HG SER A 16 1.737 13.421 -9.092 1.00 0.00 H new ATOM 130 N GLY A 17 -1.469 14.061 -5.530 1.00 0.00 N ATOM 131 CA GLY A 17 -2.815 14.686 -5.413 1.00 0.00 C ATOM 132 C GLY A 17 -3.767 13.962 -4.453 1.00 0.00 C ATOM 133 O GLY A 17 -4.430 13.001 -4.831 1.00 0.00 O ATOM 0 H GLY A 17 -0.723 14.703 -5.261 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.696 15.717 -5.079 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.273 14.722 -6.401 1.00 0.00 H new ATOM 134 N TYR A 18 -3.912 14.505 -3.243 1.00 0.00 N ATOM 135 CA TYR A 18 -4.441 13.707 -2.132 1.00 0.00 C ATOM 136 C TYR A 18 -5.947 13.369 -1.998 1.00 0.00 C ATOM 137 O TYR A 18 -6.771 14.185 -1.598 1.00 0.00 O ATOM 138 CB TYR A 18 -3.543 13.230 -0.988 1.00 0.00 C ATOM 139 CG TYR A 18 -3.041 11.825 -1.359 1.00 0.00 C ATOM 140 CD1 TYR A 18 -2.473 11.623 -2.645 1.00 0.00 C ATOM 141 CD2 TYR A 18 -3.770 10.777 -0.731 1.00 0.00 C ATOM 142 CE1 TYR A 18 -2.839 10.500 -3.389 1.00 0.00 C ATOM 143 CE2 TYR A 18 -4.075 9.610 -1.447 1.00 0.00 C ATOM 144 CZ TYR A 18 -3.648 9.523 -2.793 1.00 0.00 C ATOM 145 OH TYR A 18 -4.105 8.518 -3.573 1.00 0.00 O ATOM 0 H TYR A 18 -3.678 15.470 -3.009 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.111 13.516 -3.153 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.705 13.913 -0.846 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.096 13.205 -0.049 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.763 12.333 -3.044 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.088 10.880 0.296 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.504 10.386 -4.409 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.620 8.801 -0.984 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.678 8.567 -4.454 1.00 0.00 H new ATOM 146 N HIS A 19 -6.208 12.196 -2.560 1.00 0.00 N ATOM 147 CA HIS A 19 -7.455 11.394 -2.455 1.00 0.00 C ATOM 148 C HIS A 19 -7.938 11.123 -1.021 1.00 0.00 C ATOM 149 O HIS A 19 -8.582 11.983 -0.407 1.00 0.00 O ATOM 150 CB HIS A 19 -7.202 10.097 -3.235 1.00 0.00 C ATOM 151 CG HIS A 19 -7.024 10.325 -4.733 1.00 0.00 C ATOM 152 ND1 HIS A 19 -7.764 11.092 -5.519 1.00 0.00 N ATOM 153 CD2 HIS A 19 -6.070 9.774 -5.471 1.00 0.00 C ATOM 154 CE1 HIS A 19 -7.286 11.017 -6.751 1.00 0.00 C ATOM 155 NE2 HIS A 19 -6.240 10.192 -6.719 1.00 0.00 N ATOM 0 H HIS A 19 -5.514 11.733 -3.147 1.00 0.00 H new ATOM 0 HA HIS A 19 -8.279 11.970 -2.878 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -6.311 9.610 -2.839 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -8.036 9.414 -3.074 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -5.296 9.107 -5.121 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.672 11.529 -7.620 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -5.666 9.926 -7.519 1.00 0.00 H new ATOM 156 N TYR A 20 -7.597 9.964 -0.455 1.00 0.00 N ATOM 157 CA TYR A 20 -8.180 9.486 0.813 1.00 0.00 C ATOM 158 C TYR A 20 -7.183 9.148 1.946 1.00 0.00 C ATOM 159 O TYR A 20 -6.381 8.234 1.801 1.00 0.00 O ATOM 160 CB TYR A 20 -9.178 8.339 0.609 1.00 0.00 C ATOM 161 CG TYR A 20 -8.914 7.326 -0.521 1.00 0.00 C ATOM 162 CD1 TYR A 20 -7.715 6.573 -0.591 1.00 0.00 C ATOM 163 CD2 TYR A 20 -9.842 7.346 -1.587 1.00 0.00 C ATOM 164 CE1 TYR A 20 -7.440 5.840 -1.748 1.00 0.00 C ATOM 165 CE2 TYR A 20 -9.579 6.579 -2.743 1.00 0.00 C ATOM 166 CZ TYR A 20 -8.383 5.837 -2.794 1.00 0.00 C ATOM 167 OH TYR A 20 -8.084 5.163 -3.942 1.00 0.00 O ATOM 0 H TYR A 20 -6.910 9.326 -0.857 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.714 10.367 1.170 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.240 7.783 1.545 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.159 8.781 0.435 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.024 6.566 0.239 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -10.741 7.941 -1.518 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.518 5.284 -1.839 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -10.277 6.562 -3.567 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.828 5.247 -4.574 1.00 0.00 H new ATOM 168 N GLY A 21 -7.102 10.080 2.899 1.00 0.00 N ATOM 169 CA GLY A 21 -6.545 9.854 4.259 1.00 0.00 C ATOM 170 C GLY A 21 -5.012 9.860 4.410 1.00 0.00 C ATOM 171 O GLY A 21 -4.479 10.193 5.470 1.00 0.00 O ATOM 0 H GLY A 21 -7.425 11.037 2.756 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.951 10.620 4.920 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.915 8.894 4.618 1.00 0.00 H new ATOM 172 N VAL A 22 -4.343 9.495 3.324 1.00 0.00 N ATOM 173 CA VAL A 22 -2.877 9.308 3.241 1.00 0.00 C ATOM 174 C VAL A 22 -2.268 10.348 2.282 1.00 0.00 C ATOM 175 O VAL A 22 -2.818 11.429 2.045 1.00 0.00 O ATOM 176 CB VAL A 22 -2.704 7.832 2.796 1.00 0.00 C ATOM 177 CG1 VAL A 22 -3.231 7.565 1.400 1.00 0.00 C ATOM 178 CG2 VAL A 22 -1.347 7.224 2.600 1.00 0.00 C ATOM 0 H VAL A 22 -4.812 9.311 2.437 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.346 9.473 4.179 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.210 7.412 3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.080 6.515 1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.295 7.798 1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.697 8.190 0.684 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.455 6.185 2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.807 7.778 1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.791 7.266 3.536 1.00 0.00 H new ATOM 179 N SER A 23 -1.034 10.055 1.903 1.00 0.00 N ATOM 180 CA SER A 23 -0.426 10.584 0.675 1.00 0.00 C ATOM 181 C SER A 23 -0.122 9.346 -0.166 1.00 0.00 C ATOM 182 O SER A 23 0.459 8.391 0.347 1.00 0.00 O ATOM 183 CB SER A 23 0.909 11.273 0.927 1.00 0.00 C ATOM 184 OG SER A 23 1.152 12.132 -0.183 1.00 0.00 O ATOM 0 H SER A 23 -0.417 9.442 2.435 1.00 0.00 H new ATOM 0 HA SER A 23 -1.096 11.312 0.218 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.879 11.843 1.856 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.708 10.539 1.029 1.00 0.00 H new ATOM 0 HG SER A 23 1.537 12.976 0.134 1.00 0.00 H new ATOM 185 N ALA A 24 -0.727 9.234 -1.337 1.00 0.00 N ATOM 186 CA ALA A 24 -0.501 8.050 -2.167 1.00 0.00 C ATOM 187 C ALA A 24 0.143 8.286 -3.535 1.00 0.00 C ATOM 188 O ALA A 24 -0.200 9.189 -4.296 1.00 0.00 O ATOM 189 CB ALA A 24 -1.717 7.106 -2.242 1.00 0.00 C ATOM 0 H ALA A 24 -1.364 9.926 -1.732 1.00 0.00 H new ATOM 0 HA ALA A 24 0.276 7.528 -1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.476 6.251 -2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.969 6.757 -1.241 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.567 7.641 -2.665 1.00 0.00 H new ATOM 190 N CYS A 25 0.745 7.167 -3.895 1.00 0.00 N ATOM 191 CA CYS A 25 1.669 6.947 -5.028 1.00 0.00 C ATOM 192 C CYS A 25 0.974 6.991 -6.398 1.00 0.00 C ATOM 193 O CYS A 25 1.640 6.981 -7.437 1.00 0.00 O ATOM 194 CB CYS A 25 2.128 5.518 -4.827 1.00 0.00 C ATOM 195 SG CYS A 25 3.119 4.561 -6.039 1.00 0.00 S ATOM 0 H CYS A 25 0.597 6.307 -3.367 1.00 0.00 H new ATOM 0 HA CYS A 25 2.444 7.714 -5.036 1.00 0.00 H new ATOM 0 HB2 CYS A 25 2.700 5.513 -3.899 1.00 0.00 H new ATOM 0 HB3 CYS A 25 1.225 4.934 -4.648 1.00 0.00 H new ATOM 0 HG CYS A 25 2.993 5.092 -7.219 1.00 0.00 H new ATOM 196 N GLU A 26 -0.347 7.109 -6.338 1.00 0.00 N ATOM 197 CA GLU A 26 -1.299 7.004 -7.459 1.00 0.00 C ATOM 198 C GLU A 26 -1.358 5.573 -8.017 1.00 0.00 C ATOM 199 O GLU A 26 -2.412 4.945 -7.917 1.00 0.00 O ATOM 200 CB GLU A 26 -1.092 8.131 -8.489 1.00 0.00 C ATOM 201 CG GLU A 26 -1.502 9.493 -7.927 1.00 0.00 C ATOM 202 CD GLU A 26 -2.949 9.535 -7.410 1.00 0.00 C ATOM 203 OE1 GLU A 26 -3.840 9.792 -8.247 1.00 0.00 O ATOM 204 OE2 GLU A 26 -3.141 9.205 -6.209 1.00 0.00 O ATOM 0 H GLU A 26 -0.821 7.292 -5.454 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.309 7.179 -7.089 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.045 8.162 -8.789 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.675 7.917 -9.385 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.827 9.759 -7.114 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.380 10.249 -8.703 1.00 0.00 H new ATOM 205 N GLY A 27 -0.161 5.010 -8.170 1.00 0.00 N ATOM 206 CA GLY A 27 0.084 3.555 -8.227 1.00 0.00 C ATOM 207 C GLY A 27 -0.522 2.861 -6.998 1.00 0.00 C ATOM 208 O GLY A 27 -1.355 1.977 -7.164 1.00 0.00 O ATOM 0 H GLY A 27 0.693 5.560 -8.261 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.351 3.142 -9.137 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.156 3.362 -8.270 1.00 0.00 H new ATOM 209 N CYS A 28 -0.282 3.400 -5.795 1.00 0.00 N ATOM 210 CA CYS A 28 -0.894 2.849 -4.565 1.00 0.00 C ATOM 211 C CYS A 28 -2.411 2.918 -4.489 1.00 0.00 C ATOM 212 O CYS A 28 -3.009 1.895 -4.214 1.00 0.00 O ATOM 213 CB CYS A 28 -0.362 3.350 -3.234 1.00 0.00 C ATOM 214 SG CYS A 28 1.371 2.890 -2.845 1.00 0.00 S ATOM 0 H CYS A 28 0.323 4.207 -5.641 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.571 1.816 -4.697 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.442 4.437 -3.218 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.006 2.971 -2.440 1.00 0.00 H new ATOM 0 HG CYS A 28 1.810 3.634 -1.873 1.00 0.00 H new ATOM 215 N LYS A 29 -3.022 4.075 -4.736 1.00 0.00 N ATOM 216 CA LYS A 29 -4.501 4.179 -4.739 1.00 0.00 C ATOM 217 C LYS A 29 -5.130 3.230 -5.798 1.00 0.00 C ATOM 218 O LYS A 29 -6.078 2.503 -5.491 1.00 0.00 O ATOM 219 CB LYS A 29 -4.961 5.627 -4.840 1.00 0.00 C ATOM 220 CG LYS A 29 -4.933 6.304 -6.208 1.00 0.00 C ATOM 221 CD LYS A 29 -6.285 6.193 -6.921 1.00 0.00 C ATOM 222 CE LYS A 29 -6.243 6.896 -8.279 1.00 0.00 C ATOM 223 NZ LYS A 29 -7.600 6.920 -8.840 1.00 0.00 N ATOM 0 H LYS A 29 -2.535 4.949 -4.935 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.876 3.830 -3.777 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.983 5.677 -4.466 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.344 6.219 -4.164 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.669 7.355 -6.089 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.158 5.848 -6.824 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.544 5.143 -7.058 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.065 6.635 -6.302 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.863 7.911 -8.167 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.565 6.374 -8.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.550 6.818 -9.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.155 6.136 -8.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.058 7.823 -8.603 1.00 0.00 H new ATOM 224 N GLY A 30 -4.461 3.118 -6.951 1.00 0.00 N ATOM 225 CA GLY A 30 -4.751 2.142 -8.020 1.00 0.00 C ATOM 226 C GLY A 30 -4.695 0.699 -7.490 1.00 0.00 C ATOM 227 O GLY A 30 -5.725 0.033 -7.426 1.00 0.00 O ATOM 0 H GLY A 30 -3.673 3.724 -7.178 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.738 2.340 -8.438 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.032 2.262 -8.830 1.00 0.00 H new ATOM 228 N PHE A 31 -3.562 0.339 -6.898 1.00 0.00 N ATOM 229 CA PHE A 31 -3.328 -0.927 -6.173 1.00 0.00 C ATOM 230 C PHE A 31 -4.365 -1.248 -5.085 1.00 0.00 C ATOM 231 O PHE A 31 -4.852 -2.371 -4.985 1.00 0.00 O ATOM 232 CB PHE A 31 -1.902 -0.812 -5.636 1.00 0.00 C ATOM 233 CG PHE A 31 -1.488 -1.702 -4.457 1.00 0.00 C ATOM 234 CD1 PHE A 31 -1.788 -1.222 -3.156 1.00 0.00 C ATOM 235 CD2 PHE A 31 -0.928 -2.983 -4.649 1.00 0.00 C ATOM 236 CE1 PHE A 31 -1.631 -2.061 -2.053 1.00 0.00 C ATOM 237 CE2 PHE A 31 -0.731 -3.820 -3.523 1.00 0.00 C ATOM 238 CZ PHE A 31 -1.127 -3.366 -2.239 1.00 0.00 C ATOM 0 H PHE A 31 -2.738 0.941 -6.904 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.446 -1.779 -6.843 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.220 -1.017 -6.461 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.742 0.225 -5.340 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.137 -0.209 -3.020 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.654 -3.320 -5.638 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.893 -1.715 -1.064 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.283 -4.796 -3.641 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.042 -4.029 -1.391 1.00 0.00 H new ATOM 239 N PHE A 32 -4.826 -0.183 -4.449 1.00 0.00 N ATOM 240 CA PHE A 32 -5.597 -0.223 -3.195 1.00 0.00 C ATOM 241 C PHE A 32 -6.996 -0.712 -3.576 1.00 0.00 C ATOM 242 O PHE A 32 -7.355 -1.833 -3.233 1.00 0.00 O ATOM 243 CB PHE A 32 -5.506 1.206 -2.644 1.00 0.00 C ATOM 244 CG PHE A 32 -5.282 1.267 -1.161 1.00 0.00 C ATOM 245 CD1 PHE A 32 -4.163 0.586 -0.639 1.00 0.00 C ATOM 246 CD2 PHE A 32 -6.255 1.864 -0.327 1.00 0.00 C ATOM 247 CE1 PHE A 32 -4.065 0.400 0.759 1.00 0.00 C ATOM 248 CE2 PHE A 32 -6.173 1.629 1.033 1.00 0.00 C ATOM 249 CZ PHE A 32 -5.108 0.874 1.575 1.00 0.00 C ATOM 0 H PHE A 32 -4.675 0.765 -4.793 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.247 -0.897 -2.413 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.693 1.729 -3.147 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.426 1.739 -2.886 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.393 0.212 -1.297 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.037 2.484 -0.739 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.208 -0.095 1.191 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.932 2.027 1.690 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.095 0.658 2.633 1.00 0.00 H new ATOM 250 N ARG A 33 -7.615 -0.010 -4.518 1.00 0.00 N ATOM 251 CA ARG A 33 -8.850 -0.500 -5.166 1.00 0.00 C ATOM 252 C ARG A 33 -8.713 -1.788 -5.968 1.00 0.00 C ATOM 253 O ARG A 33 -9.553 -2.671 -5.873 1.00 0.00 O ATOM 254 CB ARG A 33 -9.534 0.576 -6.018 1.00 0.00 C ATOM 255 CG ARG A 33 -8.674 1.280 -7.055 1.00 0.00 C ATOM 256 CD ARG A 33 -9.536 2.325 -7.738 1.00 0.00 C ATOM 257 NE ARG A 33 -8.698 3.116 -8.662 1.00 0.00 N ATOM 258 CZ ARG A 33 -9.083 4.143 -9.424 1.00 0.00 C ATOM 259 NH1 ARG A 33 -10.319 4.612 -9.399 1.00 0.00 N ATOM 260 NH2 ARG A 33 -8.244 4.647 -10.309 1.00 0.00 N ATOM 0 H ARG A 33 -7.293 0.897 -4.856 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.484 -0.748 -4.315 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.378 0.116 -6.532 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.943 1.331 -5.347 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.810 1.747 -6.582 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.291 0.565 -7.783 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.347 1.844 -8.285 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.995 2.977 -6.995 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.716 2.848 -8.725 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.013 4.188 -8.784 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.578 5.398 -9.995 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.309 4.252 -10.408 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.531 5.431 -10.895 1.00 0.00 H new ATOM 261 N ARG A 34 -7.567 -1.950 -6.613 1.00 0.00 N ATOM 262 CA ARG A 34 -7.338 -3.153 -7.422 1.00 0.00 C ATOM 263 C ARG A 34 -7.469 -4.433 -6.608 1.00 0.00 C ATOM 264 O ARG A 34 -8.464 -5.131 -6.779 1.00 0.00 O ATOM 265 CB ARG A 34 -5.958 -3.092 -8.112 1.00 0.00 C ATOM 266 CG ARG A 34 -5.816 -4.165 -9.198 1.00 0.00 C ATOM 267 CD ARG A 34 -4.469 -4.887 -9.117 1.00 0.00 C ATOM 268 NE ARG A 34 -4.486 -5.886 -8.029 1.00 0.00 N ATOM 269 CZ ARG A 34 -3.638 -5.951 -7.006 1.00 0.00 C ATOM 270 NH1 ARG A 34 -2.704 -5.036 -6.773 1.00 0.00 N ATOM 271 NH2 ARG A 34 -3.557 -7.096 -6.333 1.00 0.00 N ATOM 0 H ARG A 34 -6.794 -1.285 -6.598 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.116 -3.175 -8.185 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.816 -2.106 -8.555 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.173 -3.223 -7.367 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.623 -4.891 -9.098 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.922 -3.704 -10.180 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.254 -5.377 -10.066 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.672 -4.164 -8.944 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.219 -6.595 -8.066 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.611 -4.233 -7.395 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.080 -5.137 -5.972 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.135 -7.890 -6.607 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.917 -7.179 -5.543 1.00 0.00 H new ATOM 272 N SER A 35 -6.747 -4.472 -5.497 1.00 0.00 N ATOM 273 CA SER A 35 -6.975 -5.546 -4.523 1.00 0.00 C ATOM 274 C SER A 35 -8.344 -5.408 -3.855 1.00 0.00 C ATOM 275 O SER A 35 -9.306 -6.048 -4.289 1.00 0.00 O ATOM 276 CB SER A 35 -5.898 -5.622 -3.470 1.00 0.00 C ATOM 277 OG SER A 35 -4.585 -5.734 -4.034 1.00 0.00 O ATOM 0 H SER A 35 -6.021 -3.801 -5.246 1.00 0.00 H new ATOM 0 HA SER A 35 -6.944 -6.476 -5.091 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.945 -4.732 -2.842 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.086 -6.479 -2.824 1.00 0.00 H new ATOM 0 HG SER A 35 -4.092 -4.901 -3.883 1.00 0.00 H new ATOM 278 N ILE A 36 -8.521 -4.360 -3.062 1.00 0.00 N ATOM 279 CA ILE A 36 -9.640 -4.299 -2.116 1.00 0.00 C ATOM 280 C ILE A 36 -11.027 -4.332 -2.776 1.00 0.00 C ATOM 281 O ILE A 36 -11.771 -5.287 -2.588 1.00 0.00 O ATOM 282 CB ILE A 36 -9.542 -3.123 -1.147 1.00 0.00 C ATOM 283 CG1 ILE A 36 -8.207 -3.181 -0.425 1.00 0.00 C ATOM 284 CG2 ILE A 36 -10.613 -3.079 -0.065 1.00 0.00 C ATOM 285 CD1 ILE A 36 -7.853 -1.784 0.040 1.00 0.00 C ATOM 0 H ILE A 36 -7.911 -3.542 -3.050 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.541 -5.221 -1.542 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.669 -2.239 -1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.265 -3.860 0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.433 -3.567 -1.089 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.454 -2.207 0.569 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.597 -3.015 -0.529 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.556 -3.983 0.541 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.896 -1.806 0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.782 -1.121 -0.822 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.626 -1.419 0.716 1.00 0.00 H new ATOM 286 N GLN A 37 -11.180 -3.428 -3.732 1.00 0.00 N ATOM 287 CA GLN A 37 -12.494 -3.133 -4.296 1.00 0.00 C ATOM 288 C GLN A 37 -13.067 -4.324 -5.094 1.00 0.00 C ATOM 289 O GLN A 37 -14.266 -4.581 -5.060 1.00 0.00 O ATOM 290 CB GLN A 37 -12.308 -1.918 -5.202 1.00 0.00 C ATOM 291 CG GLN A 37 -13.631 -1.314 -5.636 1.00 0.00 C ATOM 292 CD GLN A 37 -13.402 -0.225 -6.681 1.00 0.00 C ATOM 293 OE1 GLN A 37 -13.792 0.931 -6.527 1.00 0.00 O ATOM 294 NE2 GLN A 37 -12.684 -0.545 -7.746 1.00 0.00 N ATOM 0 H GLN A 37 -10.415 -2.886 -4.134 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.211 -2.937 -3.499 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -11.721 -1.163 -4.678 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -11.738 -2.209 -6.084 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -14.275 -2.091 -6.047 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -14.147 -0.895 -4.772 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -12.361 -1.504 -7.874 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.454 0.167 -8.439 1.00 0.00 H new ATOM 295 N LYS A 38 -12.172 -4.916 -5.875 1.00 0.00 N ATOM 296 CA LYS A 38 -12.512 -5.959 -6.853 1.00 0.00 C ATOM 297 C LYS A 38 -11.804 -7.322 -6.756 1.00 0.00 C ATOM 298 O LYS A 38 -12.391 -8.328 -7.155 1.00 0.00 O ATOM 299 CB LYS A 38 -12.332 -5.337 -8.235 1.00 0.00 C ATOM 300 CG LYS A 38 -10.910 -4.838 -8.527 1.00 0.00 C ATOM 301 CD LYS A 38 -10.616 -4.546 -10.009 1.00 0.00 C ATOM 302 CE LYS A 38 -10.874 -5.703 -10.983 1.00 0.00 C ATOM 303 NZ LYS A 38 -10.278 -6.972 -10.539 1.00 0.00 N ATOM 0 H LYS A 38 -11.178 -4.688 -5.852 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.538 -6.252 -6.629 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.607 -6.073 -8.990 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.025 -4.502 -8.337 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.734 -3.929 -7.951 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.199 -5.583 -8.171 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.221 -3.694 -10.319 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.572 -4.246 -10.100 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.949 -5.836 -11.104 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.473 -5.443 -11.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.861 -7.765 -10.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.318 -7.059 -10.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.234 -6.990 -9.500 1.00 0.00 H new ATOM 304 N ASN A 39 -10.498 -7.321 -6.463 1.00 0.00 N ATOM 305 CA ASN A 39 -9.688 -8.550 -6.556 1.00 0.00 C ATOM 306 C ASN A 39 -8.833 -9.034 -5.366 1.00 0.00 C ATOM 307 O ASN A 39 -7.772 -9.625 -5.549 1.00 0.00 O ATOM 308 CB ASN A 39 -8.961 -8.592 -7.919 1.00 0.00 C ATOM 309 CG ASN A 39 -7.872 -7.545 -8.184 1.00 0.00 C ATOM 310 OD1 ASN A 39 -6.868 -7.443 -7.501 1.00 0.00 O ATOM 311 ND2 ASN A 39 -8.018 -6.827 -9.278 1.00 0.00 N ATOM 0 H ASN A 39 -9.981 -6.495 -6.162 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.443 -9.332 -6.480 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.510 -9.578 -8.027 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.713 -8.498 -8.702 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.286 -6.176 -9.562 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.863 -6.922 -9.841 1.00 0.00 H new ATOM 312 N MET A 40 -9.324 -8.829 -4.144 1.00 0.00 N ATOM 313 CA MET A 40 -8.706 -9.437 -2.956 1.00 0.00 C ATOM 314 C MET A 40 -9.554 -10.488 -2.248 1.00 0.00 C ATOM 315 O MET A 40 -10.773 -10.387 -2.107 1.00 0.00 O ATOM 316 CB MET A 40 -8.324 -8.368 -1.925 1.00 0.00 C ATOM 317 CG MET A 40 -9.519 -7.612 -1.342 1.00 0.00 C ATOM 318 SD MET A 40 -10.288 -8.347 0.148 1.00 0.00 S ATOM 319 CE MET A 40 -9.824 -7.071 1.293 1.00 0.00 C ATOM 0 H MET A 40 -10.142 -8.252 -3.947 1.00 0.00 H new ATOM 0 HA MET A 40 -7.828 -9.946 -3.353 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.775 -8.842 -1.111 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.647 -7.653 -2.392 1.00 0.00 H new ATOM 0 HG2 MET A 40 -9.198 -6.599 -1.098 1.00 0.00 H new ATOM 0 HG3 MET A 40 -10.282 -7.527 -2.116 1.00 0.00 H new ATOM 0 HE1 MET A 40 -9.527 -7.522 2.240 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.989 -6.502 0.884 1.00 0.00 H new ATOM 0 HE3 MET A 40 -10.671 -6.405 1.459 1.00 0.00 H new ATOM 320 N ILE A 41 -8.904 -11.629 -2.170 1.00 0.00 N ATOM 321 CA ILE A 41 -8.894 -12.454 -0.950 1.00 0.00 C ATOM 322 C ILE A 41 -7.424 -12.893 -0.725 1.00 0.00 C ATOM 323 O ILE A 41 -6.766 -13.373 -1.654 1.00 0.00 O ATOM 324 CB ILE A 41 -9.949 -13.550 -0.981 1.00 0.00 C ATOM 325 CG1 ILE A 41 -10.277 -13.871 0.490 1.00 0.00 C ATOM 326 CG2 ILE A 41 -9.592 -14.802 -1.795 1.00 0.00 C ATOM 327 CD1 ILE A 41 -11.573 -14.666 0.701 1.00 0.00 C ATOM 0 H ILE A 41 -8.364 -12.023 -2.941 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.205 -11.897 -0.066 1.00 0.00 H new ATOM 0 HB ILE A 41 -10.819 -13.180 -1.524 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.448 -14.434 0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -10.347 -12.935 1.045 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -10.415 -15.515 -1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.415 -14.522 -2.834 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.692 -15.259 -1.384 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.721 -14.845 1.766 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -12.416 -14.098 0.308 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -11.503 -15.620 0.179 1.00 0.00 H new ATOM 328 N TYR A 42 -6.908 -12.606 0.458 1.00 0.00 N ATOM 329 CA TYR A 42 -5.457 -12.591 0.712 1.00 0.00 C ATOM 330 C TYR A 42 -5.058 -12.723 2.193 1.00 0.00 C ATOM 331 O TYR A 42 -5.830 -12.432 3.094 1.00 0.00 O ATOM 332 CB TYR A 42 -4.836 -11.299 0.120 1.00 0.00 C ATOM 333 CG TYR A 42 -5.459 -9.947 0.493 1.00 0.00 C ATOM 334 CD1 TYR A 42 -6.410 -9.803 1.539 1.00 0.00 C ATOM 335 CD2 TYR A 42 -4.947 -8.813 -0.168 1.00 0.00 C ATOM 336 CE1 TYR A 42 -6.820 -8.517 1.935 1.00 0.00 C ATOM 337 CE2 TYR A 42 -5.356 -7.528 0.217 1.00 0.00 C ATOM 338 CZ TYR A 42 -6.283 -7.398 1.276 1.00 0.00 C ATOM 339 OH TYR A 42 -6.612 -6.158 1.732 1.00 0.00 O ATOM 0 H TYR A 42 -7.473 -12.376 1.276 1.00 0.00 H new ATOM 0 HA TYR A 42 -5.064 -13.481 0.220 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -3.786 -11.272 0.413 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -4.862 -11.387 -0.966 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.816 -10.676 2.027 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -4.238 -8.934 -0.973 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.537 -8.392 2.733 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.970 -6.654 -0.286 1.00 0.00 H new ATOM 0 HH TYR A 42 -7.153 -6.241 2.545 1.00 0.00 H new ATOM 340 N THR A 43 -3.947 -13.437 2.364 1.00 0.00 N ATOM 341 CA THR A 43 -3.146 -13.381 3.606 1.00 0.00 C ATOM 342 C THR A 43 -1.813 -12.623 3.461 1.00 0.00 C ATOM 343 O THR A 43 -1.243 -12.173 4.447 1.00 0.00 O ATOM 344 CB THR A 43 -2.885 -14.787 4.191 1.00 0.00 C ATOM 345 OG1 THR A 43 -2.507 -14.654 5.562 1.00 0.00 O ATOM 346 CG2 THR A 43 -1.787 -15.571 3.460 1.00 0.00 C ATOM 0 H THR A 43 -3.571 -14.069 1.657 1.00 0.00 H new ATOM 0 HA THR A 43 -3.763 -12.811 4.301 1.00 0.00 H new ATOM 0 HB THR A 43 -3.811 -15.349 4.071 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.341 -15.541 5.943 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.663 -16.547 3.929 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.069 -15.704 2.415 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.848 -15.020 3.515 1.00 0.00 H new ATOM 347 N CYS A 44 -1.438 -12.490 2.187 1.00 0.00 N ATOM 348 CA CYS A 44 -0.160 -12.033 1.594 1.00 0.00 C ATOM 349 C CYS A 44 0.434 -13.154 0.751 1.00 0.00 C ATOM 350 O CYS A 44 0.556 -14.285 1.216 1.00 0.00 O ATOM 351 CB CYS A 44 0.938 -11.622 2.578 1.00 0.00 C ATOM 352 SG CYS A 44 2.347 -10.845 1.704 1.00 0.00 S ATOM 0 H CYS A 44 -2.099 -12.728 1.448 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.441 -11.142 1.032 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.532 -10.925 3.311 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.285 -12.497 3.128 1.00 0.00 H new ATOM 0 HG CYS A 44 1.982 -10.513 0.501 1.00 0.00 H new ATOM 353 N HIS A 45 0.565 -12.847 -0.534 1.00 0.00 N ATOM 354 CA HIS A 45 1.403 -13.669 -1.406 1.00 0.00 C ATOM 355 C HIS A 45 2.460 -12.847 -2.152 1.00 0.00 C ATOM 356 O HIS A 45 2.301 -12.417 -3.299 1.00 0.00 O ATOM 357 CB HIS A 45 0.520 -14.508 -2.353 1.00 0.00 C ATOM 358 CG HIS A 45 1.342 -15.652 -2.954 1.00 0.00 C ATOM 359 ND1 HIS A 45 2.142 -15.537 -4.019 1.00 0.00 N ATOM 360 CD2 HIS A 45 1.499 -16.876 -2.470 1.00 0.00 C ATOM 361 CE1 HIS A 45 2.779 -16.682 -4.193 1.00 0.00 C ATOM 362 NE2 HIS A 45 2.392 -17.508 -3.228 1.00 0.00 N ATOM 0 H HIS A 45 0.114 -12.054 -0.990 1.00 0.00 H new ATOM 0 HA HIS A 45 1.969 -14.358 -0.780 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -0.334 -14.910 -1.808 1.00 0.00 H new ATOM 0 HB3 HIS A 45 0.123 -13.877 -3.148 1.00 0.00 H new ATOM 0 HD2 HIS A 45 0.991 -17.288 -1.611 1.00 0.00 H new ATOM 0 HE1 HIS A 45 3.486 -16.905 -4.978 1.00 0.00 H new ATOM 0 HE2 HIS A 45 2.722 -18.463 -3.091 1.00 0.00 H new ATOM 363 N ARG A 46 3.389 -12.421 -1.324 1.00 0.00 N ATOM 364 CA ARG A 46 4.642 -13.185 -1.208 1.00 0.00 C ATOM 365 C ARG A 46 4.665 -13.868 0.175 1.00 0.00 C ATOM 366 O ARG A 46 4.230 -15.005 0.330 1.00 0.00 O ATOM 367 CB ARG A 46 5.901 -12.319 -1.447 1.00 0.00 C ATOM 368 CG ARG A 46 5.818 -11.443 -2.707 1.00 0.00 C ATOM 369 CD ARG A 46 7.188 -10.824 -3.011 1.00 0.00 C ATOM 370 NE ARG A 46 7.025 -9.783 -4.046 1.00 0.00 N ATOM 371 CZ ARG A 46 7.892 -9.476 -5.017 1.00 0.00 C ATOM 372 NH1 ARG A 46 9.041 -10.126 -5.189 1.00 0.00 N ATOM 373 NH2 ARG A 46 7.584 -8.521 -5.879 1.00 0.00 N ATOM 0 H ARG A 46 3.322 -11.589 -0.738 1.00 0.00 H new ATOM 0 HA ARG A 46 4.668 -13.939 -1.994 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.061 -11.678 -0.580 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.771 -12.972 -1.526 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.485 -12.042 -3.554 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.078 -10.655 -2.563 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.615 -10.392 -2.106 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.880 -11.592 -3.355 1.00 0.00 H new ATOM 0 HE ARG A 46 6.161 -9.242 -4.017 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.291 -10.894 -4.566 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.671 -9.856 -5.944 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.694 -8.029 -5.798 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.236 -8.277 -6.624 1.00 0.00 H new ATOM 374 N ASP A 47 5.158 -13.128 1.155 1.00 0.00 N ATOM 375 CA ASP A 47 5.101 -13.370 2.614 1.00 0.00 C ATOM 376 C ASP A 47 4.760 -12.023 3.274 1.00 0.00 C ATOM 377 O ASP A 47 5.106 -10.987 2.694 1.00 0.00 O ATOM 378 CB ASP A 47 6.426 -13.958 3.107 1.00 0.00 C ATOM 379 CG ASP A 47 7.706 -13.180 2.745 1.00 0.00 C ATOM 380 OD1 ASP A 47 7.619 -11.943 2.569 1.00 0.00 O ATOM 381 OD2 ASP A 47 8.754 -13.845 2.586 1.00 0.00 O ATOM 0 H ASP A 47 5.655 -12.262 0.946 1.00 0.00 H new ATOM 0 HA ASP A 47 4.338 -14.103 2.877 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.377 -14.045 4.192 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.518 -14.969 2.710 1.00 0.00 H new ATOM 382 N LYS A 48 4.406 -11.995 4.549 1.00 0.00 N ATOM 383 CA LYS A 48 3.985 -10.732 5.186 1.00 0.00 C ATOM 384 C LYS A 48 5.147 -9.928 5.849 1.00 0.00 C ATOM 385 O LYS A 48 4.926 -8.978 6.594 1.00 0.00 O ATOM 386 CB LYS A 48 2.785 -10.911 6.131 1.00 0.00 C ATOM 387 CG LYS A 48 2.755 -12.243 6.887 1.00 0.00 C ATOM 388 CD LYS A 48 1.410 -12.397 7.585 1.00 0.00 C ATOM 389 CE LYS A 48 0.797 -13.786 7.380 1.00 0.00 C ATOM 390 NZ LYS A 48 0.468 -14.014 5.968 1.00 0.00 N ATOM 0 H LYS A 48 4.397 -12.809 5.163 1.00 0.00 H new ATOM 0 HA LYS A 48 3.645 -10.109 4.358 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.788 -10.098 6.857 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.867 -10.818 5.551 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.915 -13.070 6.196 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.563 -12.277 7.618 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.535 -12.213 8.652 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.721 -11.641 7.210 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.496 -14.550 7.722 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.103 -13.883 7.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.531 -14.292 5.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.631 -13.140 5.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.071 -14.772 5.589 1.00 0.00 H new ATOM 391 N ASN A 49 6.342 -10.200 5.345 1.00 0.00 N ATOM 392 CA ASN A 49 7.561 -9.363 5.497 1.00 0.00 C ATOM 393 C ASN A 49 8.096 -8.768 4.178 1.00 0.00 C ATOM 394 O ASN A 49 9.252 -8.364 4.060 1.00 0.00 O ATOM 395 CB ASN A 49 8.648 -10.202 6.207 1.00 0.00 C ATOM 396 CG ASN A 49 9.033 -11.446 5.404 1.00 0.00 C ATOM 397 OD1 ASN A 49 8.336 -12.448 5.378 1.00 0.00 O ATOM 398 ND2 ASN A 49 10.043 -11.319 4.558 1.00 0.00 N ATOM 0 H ASN A 49 6.514 -11.041 4.793 1.00 0.00 H new ATOM 0 HA ASN A 49 7.284 -8.496 6.097 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.533 -9.586 6.367 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.287 -10.503 7.190 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.239 -12.059 3.884 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.625 -10.482 4.580 1.00 0.00 H new ATOM 399 N CYS A 50 7.259 -8.898 3.138 1.00 0.00 N ATOM 400 CA CYS A 50 7.366 -8.324 1.774 1.00 0.00 C ATOM 401 C CYS A 50 7.575 -6.805 1.926 1.00 0.00 C ATOM 402 O CYS A 50 6.637 -6.080 2.222 1.00 0.00 O ATOM 403 CB CYS A 50 5.994 -8.660 1.164 1.00 0.00 C ATOM 404 SG CYS A 50 5.710 -8.607 -0.624 1.00 0.00 S ATOM 0 H CYS A 50 6.411 -9.457 3.231 1.00 0.00 H new ATOM 0 HA CYS A 50 8.184 -8.700 1.160 1.00 0.00 H new ATOM 0 HB2 CYS A 50 5.739 -9.667 1.495 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.271 -7.983 1.619 1.00 0.00 H new ATOM 0 HG CYS A 50 5.273 -7.430 -0.959 1.00 0.00 H new ATOM 405 N VAL A 51 8.739 -6.320 1.533 1.00 0.00 N ATOM 406 CA VAL A 51 9.371 -5.166 2.197 1.00 0.00 C ATOM 407 C VAL A 51 9.199 -3.937 1.330 1.00 0.00 C ATOM 408 O VAL A 51 9.643 -3.909 0.190 1.00 0.00 O ATOM 409 CB VAL A 51 10.904 -5.276 2.195 1.00 0.00 C ATOM 410 CG1 VAL A 51 11.459 -4.511 3.391 1.00 0.00 C ATOM 411 CG2 VAL A 51 11.454 -6.678 2.322 1.00 0.00 C ATOM 0 H VAL A 51 9.277 -6.701 0.755 1.00 0.00 H new ATOM 0 HA VAL A 51 8.929 -5.124 3.192 1.00 0.00 H new ATOM 0 HB VAL A 51 11.205 -4.881 1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.547 -4.584 3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.166 -3.463 3.321 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.062 -4.938 4.312 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.543 -6.644 2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.115 -7.118 3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.101 -7.284 1.488 1.00 0.00 H new ATOM 412 N ILE A 52 8.635 -2.911 1.950 1.00 0.00 N ATOM 413 CA ILE A 52 8.699 -1.555 1.367 1.00 0.00 C ATOM 414 C ILE A 52 8.955 -0.389 2.340 1.00 0.00 C ATOM 415 O ILE A 52 8.137 -0.022 3.172 1.00 0.00 O ATOM 416 CB ILE A 52 7.779 -1.121 0.264 1.00 0.00 C ATOM 417 CG1 ILE A 52 6.561 -1.979 -0.128 1.00 0.00 C ATOM 418 CG2 ILE A 52 8.741 -0.848 -0.907 1.00 0.00 C ATOM 419 CD1 ILE A 52 6.864 -3.376 -0.656 1.00 0.00 C ATOM 0 H ILE A 52 8.136 -2.975 2.837 1.00 0.00 H new ATOM 0 HA ILE A 52 9.613 -1.795 0.824 1.00 0.00 H new ATOM 0 HB ILE A 52 7.207 -0.265 0.622 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.915 -2.075 0.744 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.993 -1.441 -0.887 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.172 -0.521 -1.777 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.449 -0.069 -0.623 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.285 -1.761 -1.151 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.930 -3.884 -0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.479 -3.301 -1.553 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.399 -3.944 0.105 1.00 0.00 H new ATOM 420 N ASN A 53 10.229 -0.054 2.277 1.00 0.00 N ATOM 421 CA ASN A 53 10.726 1.328 2.383 1.00 0.00 C ATOM 422 C ASN A 53 11.402 1.562 1.008 1.00 0.00 C ATOM 423 O ASN A 53 10.710 1.379 0.005 1.00 0.00 O ATOM 424 CB ASN A 53 11.603 1.569 3.620 1.00 0.00 C ATOM 425 CG ASN A 53 12.926 0.795 3.652 1.00 0.00 C ATOM 426 OD1 ASN A 53 12.998 -0.405 3.463 1.00 0.00 O ATOM 427 ND2 ASN A 53 14.002 1.527 3.728 1.00 0.00 N ATOM 0 H ASN A 53 10.973 -0.740 2.148 1.00 0.00 H new ATOM 0 HA ASN A 53 9.943 2.065 2.562 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.824 2.634 3.685 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.028 1.308 4.508 1.00 0.00 H new ATOM 0 HD21 ASN A 53 14.921 1.095 3.629 1.00 0.00 H new ATOM 0 HD22 ASN A 53 13.925 2.532 3.887 1.00 0.00 H new ATOM 428 N LYS A 54 12.670 1.965 0.910 1.00 0.00 N ATOM 429 CA LYS A 54 13.340 1.974 -0.410 1.00 0.00 C ATOM 430 C LYS A 54 14.754 1.373 -0.572 1.00 0.00 C ATOM 431 O LYS A 54 15.655 1.927 -1.184 1.00 0.00 O ATOM 432 CB LYS A 54 13.155 3.317 -1.105 1.00 0.00 C ATOM 433 CG LYS A 54 13.655 4.503 -0.283 1.00 0.00 C ATOM 434 CD LYS A 54 13.073 5.811 -0.788 1.00 0.00 C ATOM 435 CE LYS A 54 13.473 6.950 0.159 1.00 0.00 C ATOM 436 NZ LYS A 54 12.412 7.965 0.215 1.00 0.00 N ATOM 0 H LYS A 54 13.244 2.280 1.692 1.00 0.00 H new ATOM 0 HA LYS A 54 12.793 1.194 -0.940 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.682 3.299 -2.059 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.097 3.459 -1.327 1.00 0.00 H new ATOM 0 HG2 LYS A 54 13.384 4.362 0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 54 14.743 4.546 -0.328 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.435 6.017 -1.795 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.987 5.739 -0.848 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.659 6.553 1.157 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.403 7.405 -0.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.702 8.801 -0.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.536 7.574 -0.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.246 8.239 1.204 1.00 0.00 H new ATOM 437 N VAL A 55 14.850 0.144 -0.084 1.00 0.00 N ATOM 438 CA VAL A 55 15.982 -0.791 -0.269 1.00 0.00 C ATOM 439 C VAL A 55 15.534 -2.007 -1.125 1.00 0.00 C ATOM 440 O VAL A 55 16.336 -2.787 -1.640 1.00 0.00 O ATOM 441 CB VAL A 55 16.334 -1.241 1.158 1.00 0.00 C ATOM 442 CG1 VAL A 55 17.323 -2.400 1.206 1.00 0.00 C ATOM 443 CG2 VAL A 55 16.853 -0.107 2.055 1.00 0.00 C ATOM 0 H VAL A 55 14.107 -0.262 0.484 1.00 0.00 H new ATOM 0 HA VAL A 55 16.828 -0.336 -0.784 1.00 0.00 H new ATOM 0 HB VAL A 55 15.377 -1.583 1.553 1.00 0.00 H new ATOM 0 HG11 VAL A 55 17.525 -2.664 2.244 1.00 0.00 H new ATOM 0 HG12 VAL A 55 16.900 -3.261 0.689 1.00 0.00 H new ATOM 0 HG13 VAL A 55 18.253 -2.105 0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 55 17.080 -0.501 3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 55 17.756 0.318 1.618 1.00 0.00 H new ATOM 0 HG23 VAL A 55 16.091 0.668 2.139 1.00 0.00 H new ATOM 444 N THR A 56 14.251 -1.974 -1.448 1.00 0.00 N ATOM 445 CA THR A 56 13.297 -3.084 -1.238 1.00 0.00 C ATOM 446 C THR A 56 12.576 -3.678 -2.470 1.00 0.00 C ATOM 447 O THR A 56 13.141 -3.892 -3.534 1.00 0.00 O ATOM 448 CB THR A 56 12.263 -2.434 -0.323 1.00 0.00 C ATOM 449 OG1 THR A 56 11.745 -1.212 -0.817 1.00 0.00 O ATOM 450 CG2 THR A 56 12.722 -2.307 1.106 1.00 0.00 C ATOM 0 H THR A 56 13.819 -1.156 -1.877 1.00 0.00 H new ATOM 0 HA THR A 56 13.843 -3.951 -0.867 1.00 0.00 H new ATOM 0 HB THR A 56 11.431 -3.138 -0.323 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.366 -0.694 -0.076 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.938 -1.837 1.700 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.937 -3.297 1.508 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.623 -1.695 1.146 1.00 0.00 H new ATOM 451 N ARG A 57 11.336 -4.088 -2.168 1.00 0.00 N ATOM 452 CA ARG A 57 10.194 -4.398 -3.051 1.00 0.00 C ATOM 453 C ARG A 57 10.437 -5.513 -4.095 1.00 0.00 C ATOM 454 O ARG A 57 10.717 -5.250 -5.255 1.00 0.00 O ATOM 455 CB ARG A 57 9.444 -3.135 -3.346 1.00 0.00 C ATOM 456 CG ARG A 57 9.877 -2.200 -4.505 1.00 0.00 C ATOM 457 CD ARG A 57 11.145 -1.350 -4.360 1.00 0.00 C ATOM 458 NE ARG A 57 10.915 -0.156 -3.520 1.00 0.00 N ATOM 459 CZ ARG A 57 11.060 1.114 -3.890 1.00 0.00 C ATOM 460 NH1 ARG A 57 11.475 1.470 -5.104 1.00 0.00 N ATOM 461 NH2 ARG A 57 10.776 2.079 -3.031 1.00 0.00 N ATOM 0 H ARG A 57 11.077 -4.227 -1.191 1.00 0.00 H new ATOM 0 HA ARG A 57 9.424 -4.993 -2.560 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.407 -3.416 -3.533 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.453 -2.538 -2.434 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.999 -2.818 -5.394 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.049 -1.519 -4.701 1.00 0.00 H new ATOM 0 HD2 ARG A 57 11.939 -1.955 -3.922 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.488 -1.039 -5.347 1.00 0.00 H new ATOM 0 HE ARG A 57 10.615 -0.322 -2.559 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.697 0.755 -5.797 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.571 2.457 -5.341 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.449 1.847 -2.093 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.884 3.055 -3.306 1.00 0.00 H new ATOM 462 N ASN A 58 10.124 -6.767 -3.751 1.00 0.00 N ATOM 463 CA ASN A 58 9.437 -7.307 -2.538 1.00 0.00 C ATOM 464 C ASN A 58 8.036 -6.713 -2.254 1.00 0.00 C ATOM 465 O ASN A 58 7.698 -6.402 -1.106 1.00 0.00 O ATOM 466 CB ASN A 58 10.289 -7.297 -1.249 1.00 0.00 C ATOM 467 CG ASN A 58 11.533 -8.173 -1.328 1.00 0.00 C ATOM 468 OD1 ASN A 58 12.655 -7.710 -1.492 1.00 0.00 O ATOM 469 ND2 ASN A 58 11.373 -9.462 -1.119 1.00 0.00 N ATOM 0 H ASN A 58 10.369 -7.531 -4.381 1.00 0.00 H new ATOM 0 HA ASN A 58 9.290 -8.349 -2.824 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.591 -6.272 -1.032 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.673 -7.632 -0.415 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.185 -10.079 -1.093 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.437 -9.844 -0.983 1.00 0.00 H new ATOM 470 N ARG A 59 7.237 -6.554 -3.298 1.00 0.00 N ATOM 471 CA ARG A 59 5.916 -5.944 -3.189 1.00 0.00 C ATOM 472 C ARG A 59 4.817 -6.929 -3.613 1.00 0.00 C ATOM 473 O ARG A 59 4.972 -7.745 -4.523 1.00 0.00 O ATOM 474 CB ARG A 59 5.852 -4.664 -4.020 1.00 0.00 C ATOM 475 CG ARG A 59 4.511 -3.931 -4.232 1.00 0.00 C ATOM 476 CD ARG A 59 3.973 -3.247 -2.975 1.00 0.00 C ATOM 477 NE ARG A 59 2.875 -2.331 -3.359 1.00 0.00 N ATOM 478 CZ ARG A 59 2.303 -1.388 -2.603 1.00 0.00 C ATOM 479 NH1 ARG A 59 2.646 -1.171 -1.350 1.00 0.00 N ATOM 480 NH2 ARG A 59 1.479 -0.520 -3.161 1.00 0.00 N ATOM 0 H ARG A 59 7.483 -6.843 -4.245 1.00 0.00 H new ATOM 0 HA ARG A 59 5.744 -5.685 -2.144 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.539 -3.951 -3.565 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.247 -4.902 -5.007 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.637 -3.183 -5.015 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.770 -4.646 -4.590 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.612 -3.992 -2.266 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.769 -2.693 -2.477 1.00 0.00 H new ATOM 0 HE ARG A 59 2.514 -2.431 -4.308 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.377 -1.735 -0.917 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.180 -0.439 -0.813 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.284 -0.572 -4.161 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.038 0.203 -2.592 1.00 0.00 H new ATOM 481 N CYS A 60 3.702 -6.816 -2.911 1.00 0.00 N ATOM 482 CA CYS A 60 2.523 -7.700 -3.007 1.00 0.00 C ATOM 483 C CYS A 60 1.294 -6.957 -2.476 1.00 0.00 C ATOM 484 O CYS A 60 1.400 -5.857 -1.933 1.00 0.00 O ATOM 485 CB CYS A 60 2.784 -8.914 -2.123 1.00 0.00 C ATOM 486 SG CYS A 60 1.431 -9.983 -1.547 1.00 0.00 S ATOM 0 H CYS A 60 3.575 -6.074 -2.222 1.00 0.00 H new ATOM 0 HA CYS A 60 2.349 -8.000 -4.040 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.484 -9.553 -2.662 1.00 0.00 H new ATOM 0 HB3 CYS A 60 3.301 -8.553 -1.234 1.00 0.00 H new ATOM 0 HG CYS A 60 0.594 -9.282 -0.842 1.00 0.00 H new ATOM 487 N GLN A 61 0.141 -7.628 -2.572 1.00 0.00 N ATOM 488 CA GLN A 61 -1.097 -7.198 -1.922 1.00 0.00 C ATOM 489 C GLN A 61 -1.129 -7.003 -0.398 1.00 0.00 C ATOM 490 O GLN A 61 -0.574 -6.019 0.090 1.00 0.00 O ATOM 491 CB GLN A 61 -2.370 -7.893 -2.429 1.00 0.00 C ATOM 492 CG GLN A 61 -2.220 -9.253 -3.144 1.00 0.00 C ATOM 493 CD GLN A 61 -2.028 -10.484 -2.245 1.00 0.00 C ATOM 494 OE1 GLN A 61 -1.575 -10.455 -1.102 1.00 0.00 O ATOM 495 NE2 GLN A 61 -2.359 -11.633 -2.794 1.00 0.00 N ATOM 0 H GLN A 61 0.042 -8.491 -3.107 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.092 -6.170 -2.283 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -3.034 -8.036 -1.576 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.873 -7.210 -3.114 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.106 -9.415 -3.759 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.369 -9.190 -3.822 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.735 -11.656 -3.742 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -2.240 -12.501 -2.272 1.00 0.00 H new ATOM 496 N TYR A 62 -1.587 -8.012 0.341 1.00 0.00 N ATOM 497 CA TYR A 62 -1.999 -7.842 1.753 1.00 0.00 C ATOM 498 C TYR A 62 -1.005 -7.133 2.658 1.00 0.00 C ATOM 499 O TYR A 62 -1.296 -6.039 3.117 1.00 0.00 O ATOM 500 CB TYR A 62 -2.382 -9.241 2.312 1.00 0.00 C ATOM 501 CG TYR A 62 -2.798 -9.305 3.789 1.00 0.00 C ATOM 502 CD1 TYR A 62 -1.831 -9.193 4.820 1.00 0.00 C ATOM 503 CD2 TYR A 62 -4.132 -9.667 4.079 1.00 0.00 C ATOM 504 CE1 TYR A 62 -2.199 -9.444 6.152 1.00 0.00 C ATOM 505 CE2 TYR A 62 -4.507 -9.930 5.411 1.00 0.00 C ATOM 506 CZ TYR A 62 -3.529 -9.817 6.424 1.00 0.00 C ATOM 507 OH TYR A 62 -3.875 -10.097 7.709 1.00 0.00 O ATOM 0 H TYR A 62 -1.686 -8.965 -0.008 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.850 -7.161 1.751 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -3.201 -9.635 1.711 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.532 -9.909 2.169 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.815 -8.916 4.582 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.860 -9.742 3.285 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.477 -9.353 6.950 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.521 -10.212 5.653 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.824 -10.338 7.747 1.00 0.00 H new ATOM 508 N CYS A 63 0.232 -7.572 2.501 1.00 0.00 N ATOM 509 CA CYS A 63 1.393 -7.021 3.239 1.00 0.00 C ATOM 510 C CYS A 63 1.397 -5.491 3.303 1.00 0.00 C ATOM 511 O CYS A 63 1.076 -4.904 4.344 1.00 0.00 O ATOM 512 CB CYS A 63 2.641 -7.540 2.474 1.00 0.00 C ATOM 513 SG CYS A 63 2.616 -7.140 0.697 1.00 0.00 S ATOM 0 H CYS A 63 0.477 -8.325 1.858 1.00 0.00 H new ATOM 0 HA CYS A 63 1.368 -7.343 4.280 1.00 0.00 H new ATOM 0 HB2 CYS A 63 3.537 -7.112 2.923 1.00 0.00 H new ATOM 0 HB3 CYS A 63 2.709 -8.621 2.595 1.00 0.00 H new ATOM 0 HG CYS A 63 1.683 -7.829 0.110 1.00 0.00 H new ATOM 514 N ARG A 64 1.401 -4.886 2.128 1.00 0.00 N ATOM 515 CA ARG A 64 1.508 -3.426 2.024 1.00 0.00 C ATOM 516 C ARG A 64 0.261 -2.753 1.432 1.00 0.00 C ATOM 517 O ARG A 64 0.230 -1.531 1.392 1.00 0.00 O ATOM 518 CB ARG A 64 2.806 -3.015 1.315 1.00 0.00 C ATOM 519 CG ARG A 64 4.044 -3.891 1.618 1.00 0.00 C ATOM 520 CD ARG A 64 4.766 -3.714 2.956 1.00 0.00 C ATOM 521 NE ARG A 64 4.023 -4.230 4.132 1.00 0.00 N ATOM 522 CZ ARG A 64 4.317 -5.268 4.917 1.00 0.00 C ATOM 523 NH1 ARG A 64 5.344 -6.077 4.715 1.00 0.00 N ATOM 524 NH2 ARG A 64 3.572 -5.515 5.985 1.00 0.00 N ATOM 0 H ARG A 64 1.332 -5.372 1.234 1.00 0.00 H new ATOM 0 HA ARG A 64 1.560 -3.046 3.044 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.630 -3.027 0.239 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.037 -1.985 1.588 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.735 -4.934 1.546 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.772 -3.718 0.825 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.731 -4.218 2.903 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.968 -2.654 3.107 1.00 0.00 H new ATOM 0 HE ARG A 64 3.172 -3.722 4.373 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.965 -5.924 3.921 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.514 -6.854 5.353 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.778 -4.913 6.203 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.792 -6.307 6.588 1.00 0.00 H new ATOM 525 N LEU A 65 -0.830 -3.526 1.277 1.00 0.00 N ATOM 526 CA LEU A 65 -2.178 -2.955 1.497 1.00 0.00 C ATOM 527 C LEU A 65 -2.220 -2.469 2.941 1.00 0.00 C ATOM 528 O LEU A 65 -2.211 -1.267 3.146 1.00 0.00 O ATOM 529 CB LEU A 65 -3.310 -3.990 1.435 1.00 0.00 C ATOM 530 CG LEU A 65 -4.252 -4.077 0.254 1.00 0.00 C ATOM 531 CD1 LEU A 65 -4.661 -2.714 -0.271 1.00 0.00 C ATOM 532 CD2 LEU A 65 -3.663 -4.823 -0.916 1.00 0.00 C ATOM 0 H LEU A 65 -0.813 -4.510 1.011 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.326 -2.200 0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.846 -4.971 1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.928 -3.834 2.319 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.115 -4.612 0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.337 -2.838 -1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.166 -2.157 0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.775 -2.167 -0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.386 -4.851 -1.731 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.758 -4.317 -1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.418 -5.841 -0.613 1.00 0.00 H new ATOM 533 N GLN A 66 -1.792 -3.372 3.809 1.00 0.00 N ATOM 534 CA GLN A 66 -1.887 -3.239 5.271 1.00 0.00 C ATOM 535 C GLN A 66 -0.827 -2.319 5.907 1.00 0.00 C ATOM 536 O GLN A 66 -1.149 -1.577 6.828 1.00 0.00 O ATOM 537 CB GLN A 66 -2.078 -4.627 5.866 1.00 0.00 C ATOM 538 CG GLN A 66 -3.595 -4.927 5.865 1.00 0.00 C ATOM 539 CD GLN A 66 -4.150 -5.505 4.557 1.00 0.00 C ATOM 540 OE1 GLN A 66 -3.839 -6.610 4.151 1.00 0.00 O ATOM 541 NE2 GLN A 66 -5.084 -4.828 3.921 1.00 0.00 N ATOM 0 H GLN A 66 -1.355 -4.246 3.517 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.774 -2.666 5.540 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.539 -5.373 5.281 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.679 -4.668 6.880 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.810 -5.627 6.672 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.131 -4.005 6.091 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.355 -3.901 4.249 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.536 -5.231 3.100 1.00 0.00 H new ATOM 542 N LYS A 67 0.356 -2.241 5.300 1.00 0.00 N ATOM 543 CA LYS A 67 1.307 -1.146 5.633 1.00 0.00 C ATOM 544 C LYS A 67 0.921 0.227 5.050 1.00 0.00 C ATOM 545 O LYS A 67 0.973 1.206 5.787 1.00 0.00 O ATOM 546 CB LYS A 67 2.742 -1.540 5.289 1.00 0.00 C ATOM 547 CG LYS A 67 3.769 -0.624 5.973 1.00 0.00 C ATOM 548 CD LYS A 67 5.212 -1.006 5.608 1.00 0.00 C ATOM 549 CE LYS A 67 6.214 -0.076 6.299 1.00 0.00 C ATOM 550 NZ LYS A 67 7.575 -0.452 5.896 1.00 0.00 N ATOM 0 H LYS A 67 0.686 -2.897 4.592 1.00 0.00 H new ATOM 0 HA LYS A 67 1.242 -1.012 6.713 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.918 -2.572 5.593 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.881 -1.498 4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.583 0.410 5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.641 -0.679 7.054 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.405 -2.038 5.902 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.345 -0.952 4.527 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.014 0.961 6.027 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.109 -0.148 7.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.263 0.154 6.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.749 -1.447 6.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.679 -0.330 4.868 1.00 0.00 H new ATOM 551 N CYS A 68 0.429 0.294 3.807 1.00 0.00 N ATOM 552 CA CYS A 68 -0.169 1.546 3.304 1.00 0.00 C ATOM 553 C CYS A 68 -1.407 1.971 4.136 1.00 0.00 C ATOM 554 O CYS A 68 -1.504 3.123 4.567 1.00 0.00 O ATOM 555 CB CYS A 68 -0.456 1.498 1.794 1.00 0.00 C ATOM 556 SG CYS A 68 1.021 1.446 0.717 1.00 0.00 S ATOM 0 H CYS A 68 0.430 -0.480 3.142 1.00 0.00 H new ATOM 0 HA CYS A 68 0.579 2.327 3.439 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -1.068 0.621 1.585 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -1.050 2.372 1.526 1.00 0.00 H new ATOM 0 HG CYS A 68 0.756 2.035 -0.411 1.00 0.00 H new ATOM 557 N PHE A 69 -2.194 0.970 4.514 1.00 0.00 N ATOM 558 CA PHE A 69 -3.275 1.026 5.534 1.00 0.00 C ATOM 559 C PHE A 69 -2.944 1.523 6.939 1.00 0.00 C ATOM 560 O PHE A 69 -3.845 1.913 7.681 1.00 0.00 O ATOM 561 CB PHE A 69 -3.967 -0.320 5.711 1.00 0.00 C ATOM 562 CG PHE A 69 -5.171 -0.545 4.797 1.00 0.00 C ATOM 563 CD1 PHE A 69 -6.259 0.340 4.989 1.00 0.00 C ATOM 564 CD2 PHE A 69 -5.271 -1.662 3.924 1.00 0.00 C ATOM 565 CE1 PHE A 69 -7.443 0.146 4.256 1.00 0.00 C ATOM 566 CE2 PHE A 69 -6.462 -1.876 3.222 1.00 0.00 C ATOM 567 CZ PHE A 69 -7.499 -0.931 3.355 1.00 0.00 C ATOM 0 H PHE A 69 -2.103 0.040 4.104 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.905 1.792 5.083 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.240 -1.113 5.533 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.293 -0.412 6.747 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.180 1.156 5.692 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.437 -2.338 3.804 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.287 0.807 4.382 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.584 -2.745 2.593 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.377 -1.040 2.736 1.00 0.00 H new ATOM 568 N GLU A 70 -1.684 1.397 7.347 1.00 0.00 N ATOM 569 CA GLU A 70 -1.196 2.054 8.574 1.00 0.00 C ATOM 570 C GLU A 70 -1.444 3.568 8.597 1.00 0.00 C ATOM 571 O GLU A 70 -1.625 4.171 9.649 1.00 0.00 O ATOM 572 CB GLU A 70 0.291 1.760 8.740 1.00 0.00 C ATOM 573 CG GLU A 70 0.438 0.286 9.118 1.00 0.00 C ATOM 574 CD GLU A 70 1.871 -0.130 9.489 1.00 0.00 C ATOM 575 OE1 GLU A 70 2.827 0.408 8.883 1.00 0.00 O ATOM 576 OE2 GLU A 70 1.976 -1.024 10.350 1.00 0.00 O ATOM 0 H GLU A 70 -0.978 0.850 6.854 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.765 1.643 9.408 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.828 1.972 7.815 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.722 2.397 9.512 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.220 0.071 9.960 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.098 -0.327 8.283 1.00 0.00 H new ATOM 577 N VAL A 71 -1.578 4.113 7.384 1.00 0.00 N ATOM 578 CA VAL A 71 -1.973 5.513 7.130 1.00 0.00 C ATOM 579 C VAL A 71 -3.325 5.450 6.384 1.00 0.00 C ATOM 580 O VAL A 71 -3.380 5.770 5.203 1.00 0.00 O ATOM 581 CB VAL A 71 -0.830 6.210 6.369 1.00 0.00 C ATOM 582 CG1 VAL A 71 -1.115 7.710 6.229 1.00 0.00 C ATOM 583 CG2 VAL A 71 0.511 6.091 7.086 1.00 0.00 C ATOM 0 H VAL A 71 -1.412 3.585 6.527 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.124 6.112 8.028 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.776 5.713 5.400 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.297 8.187 5.689 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.045 7.854 5.680 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.205 8.157 7.219 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.280 6.600 6.505 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.438 6.549 8.072 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.774 5.039 7.193 1.00 0.00 H new ATOM 584 N GLY A 72 -4.240 4.675 6.999 1.00 0.00 N ATOM 585 CA GLY A 72 -5.639 4.341 6.618 1.00 0.00 C ATOM 586 C GLY A 72 -6.281 5.169 5.515 1.00 0.00 C ATOM 587 O GLY A 72 -7.304 5.827 5.647 1.00 0.00 O ATOM 0 H GLY A 72 -3.995 4.213 7.875 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.664 3.295 6.312 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.261 4.427 7.509 1.00 0.00 H new ATOM 588 N MET A 73 -5.779 4.745 4.378 1.00 0.00 N ATOM 589 CA MET A 73 -6.174 5.212 3.047 1.00 0.00 C ATOM 590 C MET A 73 -7.545 4.578 2.819 1.00 0.00 C ATOM 591 O MET A 73 -7.778 3.416 3.154 1.00 0.00 O ATOM 592 CB MET A 73 -5.254 4.562 1.991 1.00 0.00 C ATOM 593 CG MET A 73 -3.973 3.868 2.477 1.00 0.00 C ATOM 594 SD MET A 73 -2.397 4.278 1.641 1.00 0.00 S ATOM 595 CE MET A 73 -2.725 3.972 -0.087 1.00 0.00 C ATOM 0 H MET A 73 -5.050 4.032 4.342 1.00 0.00 H new ATOM 0 HA MET A 73 -6.144 6.299 2.976 1.00 0.00 H new ATOM 0 HB2 MET A 73 -5.843 3.828 1.442 1.00 0.00 H new ATOM 0 HB3 MET A 73 -4.965 5.335 1.279 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.855 4.091 3.537 1.00 0.00 H new ATOM 0 HG3 MET A 73 -4.125 2.792 2.392 1.00 0.00 H new ATOM 0 HE1 MET A 73 -2.019 4.535 -0.697 1.00 0.00 H new ATOM 0 HE2 MET A 73 -2.616 2.908 -0.295 1.00 0.00 H new ATOM 0 HE3 MET A 73 -3.741 4.286 -0.326 1.00 0.00 H new ATOM 596 N SER A 74 -8.411 5.322 2.144 1.00 0.00 N ATOM 597 CA SER A 74 -9.736 4.758 1.875 1.00 0.00 C ATOM 598 C SER A 74 -10.104 4.364 0.451 1.00 0.00 C ATOM 599 O SER A 74 -11.011 4.870 -0.213 1.00 0.00 O ATOM 600 CB SER A 74 -10.840 5.569 2.583 1.00 0.00 C ATOM 601 OG SER A 74 -10.778 5.322 3.982 1.00 0.00 O ATOM 0 H SER A 74 -8.241 6.263 1.789 1.00 0.00 H new ATOM 0 HA SER A 74 -9.655 3.766 2.320 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.711 6.633 2.383 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.819 5.288 2.195 1.00 0.00 H new ATOM 0 HG SER A 74 -11.477 5.837 4.436 1.00 0.00 H new ATOM 602 N LYS A 75 -9.316 3.373 0.058 1.00 0.00 N ATOM 603 CA LYS A 75 -9.912 2.086 -0.333 1.00 0.00 C ATOM 604 C LYS A 75 -9.808 1.215 0.918 1.00 0.00 C ATOM 605 O LYS A 75 -8.784 0.661 1.272 1.00 0.00 O ATOM 606 CB LYS A 75 -9.318 1.509 -1.603 1.00 0.00 C ATOM 607 CG LYS A 75 -9.383 2.490 -2.788 1.00 0.00 C ATOM 608 CD LYS A 75 -10.748 3.120 -3.156 1.00 0.00 C ATOM 609 CE LYS A 75 -11.721 2.156 -3.832 1.00 0.00 C ATOM 610 NZ LYS A 75 -12.652 2.886 -4.713 1.00 0.00 N ATOM 0 H LYS A 75 -8.299 3.421 -0.001 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.956 2.178 -0.631 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.279 1.234 -1.421 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.849 0.594 -1.865 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.688 3.304 -2.582 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.011 1.969 -3.670 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.211 3.510 -2.250 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.577 3.969 -3.818 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.166 1.419 -4.412 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.283 1.608 -3.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.368 2.228 -5.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.122 3.641 -4.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.124 3.305 -5.505 1.00 0.00 H new ATOM 611 N GLU A 76 -10.962 1.096 1.560 1.00 0.00 N ATOM 612 CA GLU A 76 -11.089 1.042 3.011 1.00 0.00 C ATOM 613 C GLU A 76 -11.496 -0.411 3.370 1.00 0.00 C ATOM 614 O GLU A 76 -10.710 -1.340 3.225 1.00 0.00 O ATOM 615 CB GLU A 76 -12.155 2.103 3.254 1.00 0.00 C ATOM 616 CG GLU A 76 -12.342 2.503 4.731 1.00 0.00 C ATOM 617 CD GLU A 76 -13.277 3.708 4.926 1.00 0.00 C ATOM 618 OE1 GLU A 76 -14.096 3.987 4.013 1.00 0.00 O ATOM 619 OE2 GLU A 76 -13.216 4.285 6.031 1.00 0.00 O ATOM 0 H GLU A 76 -11.857 1.033 1.075 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.208 1.247 3.620 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.899 2.994 2.680 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -13.106 1.738 2.868 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.740 1.651 5.282 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.368 2.735 5.163 1.00 0.00 H new ATOM 620 N SER A 77 -12.787 -0.611 3.614 1.00 0.00 N ATOM 621 CA SER A 77 -13.447 -1.914 3.469 1.00 0.00 C ATOM 622 C SER A 77 -14.322 -1.771 2.229 1.00 0.00 C ATOM 623 O SER A 77 -15.530 -1.515 2.219 1.00 0.00 O ATOM 624 CB SER A 77 -14.271 -2.227 4.736 1.00 0.00 C ATOM 625 OG SER A 77 -15.217 -1.178 4.950 1.00 0.00 O ATOM 0 H SER A 77 -13.415 0.131 3.921 1.00 0.00 H new ATOM 0 HA SER A 77 -12.747 -2.742 3.356 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.786 -3.181 4.623 1.00 0.00 H new ATOM 0 HB3 SER A 77 -13.612 -2.321 5.599 1.00 0.00 H new ATOM 0 HG SER A 77 -15.616 -0.917 4.094 1.00 0.00 H new ATOM 626 N VAL A 78 -13.576 -1.837 1.140 1.00 0.00 N ATOM 627 CA VAL A 78 -13.979 -1.382 -0.190 1.00 0.00 C ATOM 628 C VAL A 78 -14.178 -2.524 -1.171 1.00 0.00 C ATOM 629 O VAL A 78 -13.441 -3.504 -1.176 1.00 0.00 O ATOM 630 CB VAL A 78 -12.959 -0.312 -0.593 1.00 0.00 C ATOM 631 CG1 VAL A 78 -12.086 -0.553 -1.800 1.00 0.00 C ATOM 632 CG2 VAL A 78 -13.395 1.133 -0.431 1.00 0.00 C ATOM 0 H VAL A 78 -12.633 -2.224 1.153 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.973 -0.934 -0.191 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.253 -0.489 0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.423 0.300 -1.945 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.491 -1.453 -1.645 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -12.713 -0.680 -2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.589 1.794 -0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.278 1.317 -1.043 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.632 1.326 0.615 1.00 0.00 H new ATOM 633 N ARG A 79 -15.366 -2.549 -1.744 1.00 0.00 N ATOM 634 CA ARG A 79 -16.519 -1.698 -1.384 1.00 0.00 C ATOM 635 C ARG A 79 -17.594 -2.583 -0.726 1.00 0.00 C ATOM 636 O ARG A 79 -18.692 -2.808 -1.229 1.00 0.00 O ATOM 637 CB ARG A 79 -17.009 -0.936 -2.621 1.00 0.00 C ATOM 638 CG ARG A 79 -16.161 0.320 -2.749 1.00 0.00 C ATOM 639 CD ARG A 79 -16.650 1.305 -3.809 1.00 0.00 C ATOM 640 NE ARG A 79 -16.006 2.595 -3.524 1.00 0.00 N ATOM 641 CZ ARG A 79 -15.596 3.506 -4.412 1.00 0.00 C ATOM 642 NH1 ARG A 79 -15.706 3.324 -5.717 1.00 0.00 N ATOM 643 NH2 ARG A 79 -15.017 4.615 -3.990 1.00 0.00 N ATOM 0 H ARG A 79 -15.579 -3.188 -2.510 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.242 -0.935 -0.657 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -16.916 -1.554 -3.514 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -18.063 -0.678 -2.520 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.135 0.826 -1.784 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -15.137 0.030 -2.984 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -16.390 0.957 -4.809 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -17.735 1.400 -3.776 1.00 0.00 H new ATOM 0 HE ARG A 79 -15.855 2.820 -2.541 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -16.116 2.463 -6.079 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -15.381 4.044 -6.362 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -14.885 4.773 -2.991 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -14.702 5.314 -4.663 1.00 0.00 H new ATOM 644 N ASN A 80 -17.167 -3.089 0.429 1.00 0.00 N ATOM 645 CA ASN A 80 -17.743 -4.283 1.059 1.00 0.00 C ATOM 646 C ASN A 80 -18.135 -4.132 2.544 1.00 0.00 C ATOM 647 O ASN A 80 -17.660 -3.157 3.176 1.00 0.00 O ATOM 648 CB ASN A 80 -16.748 -5.426 0.795 1.00 0.00 C ATOM 649 CG ASN A 80 -15.372 -5.280 1.477 1.00 0.00 C ATOM 650 OD1 ASN A 80 -15.216 -4.693 2.529 1.00 0.00 O ATOM 651 ND2 ASN A 80 -14.343 -5.744 0.820 1.00 0.00 N ATOM 652 OXT ASN A 80 -18.941 -4.965 3.010 1.00 0.00 O ATOM 0 H ASN A 80 -16.401 -2.678 0.963 1.00 0.00 H new ATOM 0 HA ASN A 80 -18.715 -4.491 0.612 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -17.200 -6.361 1.125 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -16.594 -5.509 -0.281 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -13.401 -5.614 1.190 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -14.481 -6.236 -0.063 1.00 0.00 H new