USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 403 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 Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.162 X(o=-0.16,f=-0.54) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.0411 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 21 GLN : amide:sc= -0.12 K(o=-0.12,f=-1.6) USER MOD Single : A 23 ASN : amide:sc= -1.68 K(o=-1.7,f=-0.98) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 163:sc= -0.0415 (180deg=-0.299) USER MOD Single : A 44 ASN : amide:sc= -0.238 K(o=-0.24,f=1.1) USER MOD Single : A 46 GLN : amide:sc= -1.96 K(o=-2,f=-5.5!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 -17.701 6.151 5.555 1.00 15.40 N ATOM 2 CA ASP A 2 -17.028 5.813 4.306 1.00 34.42 C ATOM 3 C ASP A 2 -15.536 5.593 4.536 1.00 5.11 C ATOM 4 O ASP A 2 -15.003 5.934 5.592 1.00 3.01 O ATOM 5 CB ASP A 2 -17.239 6.919 3.271 1.00 34.13 C ATOM 6 CG ASP A 2 -16.551 8.213 3.657 1.00 24.13 C ATOM 7 OD1 ASP A 2 -17.177 9.031 4.362 1.00 0.13 O ATOM 8 OD2 ASP A 2 -15.384 8.407 3.254 1.00 31.20 O ATOM 0 HA ASP A 2 -17.461 4.887 3.928 1.00 34.42 H new ATOM 0 HB2 ASP A 2 -16.862 6.585 2.305 1.00 34.13 H new ATOM 0 HB3 ASP A 2 -18.307 7.101 3.151 1.00 34.13 H new ATOM 13 N CYS A 3 -14.867 5.020 3.541 1.00 71.35 N ATOM 14 CA CYS A 3 -13.437 4.753 3.634 1.00 73.04 C ATOM 15 C CYS A 3 -12.678 5.457 2.512 1.00 71.10 C ATOM 16 O CYS A 3 -13.280 6.037 1.609 1.00 33.11 O ATOM 17 CB CYS A 3 -13.174 3.247 3.576 1.00 72.43 C ATOM 18 SG CYS A 3 -14.319 2.252 4.586 1.00 3.00 S ATOM 0 H CYS A 3 -15.293 4.731 2.660 1.00 71.35 H new ATOM 0 HA CYS A 3 -13.081 5.141 4.588 1.00 73.04 H new ATOM 0 HB2 CYS A 3 -13.241 2.917 2.539 1.00 72.43 H new ATOM 0 HB3 CYS A 3 -12.153 3.054 3.907 1.00 72.43 H new ATOM 23 N LYS A 4 -11.353 5.401 2.577 1.00 63.21 N ATOM 24 CA LYS A 4 -10.509 6.031 1.568 1.00 71.42 C ATOM 25 C LYS A 4 -9.266 5.190 1.297 1.00 42.41 C ATOM 26 O LYS A 4 -8.872 4.364 2.119 1.00 34.42 O ATOM 27 CB LYS A 4 -10.101 7.435 2.020 1.00 64.24 C ATOM 28 CG LYS A 4 -9.679 7.506 3.476 1.00 31.10 C ATOM 29 CD LYS A 4 -9.110 8.871 3.825 1.00 31.05 C ATOM 30 CE LYS A 4 -10.210 9.911 3.976 1.00 42.43 C ATOM 31 NZ LYS A 4 -9.740 11.273 3.600 1.00 43.34 N ATOM 0 H LYS A 4 -10.839 4.925 3.319 1.00 63.21 H new ATOM 0 HA LYS A 4 -11.083 6.106 0.644 1.00 71.42 H new ATOM 0 HB2 LYS A 4 -9.279 7.784 1.395 1.00 64.24 H new ATOM 0 HB3 LYS A 4 -10.936 8.117 1.859 1.00 64.24 H new ATOM 0 HG2 LYS A 4 -10.536 7.294 4.115 1.00 31.10 H new ATOM 0 HG3 LYS A 4 -8.933 6.737 3.678 1.00 31.10 H new ATOM 0 HD2 LYS A 4 -8.542 8.803 4.753 1.00 31.05 H new ATOM 0 HD3 LYS A 4 -8.414 9.186 3.047 1.00 31.05 H new ATOM 0 HE2 LYS A 4 -11.060 9.635 3.351 1.00 42.43 H new ATOM 0 HE3 LYS A 4 -10.562 9.920 5.007 1.00 42.43 H new ATOM 0 HZ1 LYS A 4 -10.518 11.953 3.716 1.00 43.34 H new ATOM 0 HZ2 LYS A 4 -8.946 11.548 4.213 1.00 43.34 H new ATOM 0 HZ3 LYS A 4 -9.428 11.271 2.608 1.00 43.34 H new ATOM 45 N ARG A 5 -8.651 5.408 0.138 1.00 22.32 N ATOM 46 CA ARG A 5 -7.452 4.670 -0.240 1.00 1.51 C ATOM 47 C ARG A 5 -6.515 5.545 -1.069 1.00 2.33 C ATOM 48 O ARG A 5 -6.924 6.572 -1.612 1.00 22.13 O ATOM 49 CB ARG A 5 -7.827 3.416 -1.030 1.00 70.14 C ATOM 50 CG ARG A 5 -8.702 3.697 -2.241 1.00 3.20 C ATOM 51 CD ARG A 5 -7.869 3.884 -3.499 1.00 64.53 C ATOM 52 NE ARG A 5 -7.639 2.620 -4.196 1.00 14.12 N ATOM 53 CZ ARG A 5 -8.586 1.962 -4.855 1.00 15.05 C ATOM 54 NH1 ARG A 5 -9.821 2.445 -4.906 1.00 71.10 N ATOM 55 NH2 ARG A 5 -8.301 0.818 -5.463 1.00 33.51 N ATOM 0 H ARG A 5 -8.963 6.089 -0.554 1.00 22.32 H new ATOM 0 HA ARG A 5 -6.934 4.375 0.673 1.00 1.51 H new ATOM 0 HB2 ARG A 5 -6.915 2.918 -1.359 1.00 70.14 H new ATOM 0 HB3 ARG A 5 -8.348 2.723 -0.369 1.00 70.14 H new ATOM 0 HG2 ARG A 5 -9.401 2.873 -2.385 1.00 3.20 H new ATOM 0 HG3 ARG A 5 -9.297 4.592 -2.061 1.00 3.20 H new ATOM 0 HD2 ARG A 5 -8.374 4.580 -4.168 1.00 64.53 H new ATOM 0 HD3 ARG A 5 -6.911 4.333 -3.236 1.00 64.53 H new ATOM 0 HE ARG A 5 -6.700 2.222 -4.175 1.00 14.12 H new ATOM 0 HH11 ARG A 5 -10.045 3.323 -4.438 1.00 71.10 H new ATOM 0 HH12 ARG A 5 -10.546 1.938 -5.413 1.00 71.10 H new ATOM 0 HH21 ARG A 5 -7.353 0.442 -5.425 1.00 33.51 H new ATOM 0 HH22 ARG A 5 -9.029 0.314 -5.969 1.00 33.51 H new ATOM 69 N LYS A 6 -5.255 5.132 -1.161 1.00 0.12 N ATOM 70 CA LYS A 6 -4.260 5.876 -1.922 1.00 45.53 C ATOM 71 C LYS A 6 -3.024 5.020 -2.185 1.00 2.14 C ATOM 72 O LYS A 6 -2.693 4.133 -1.398 1.00 43.24 O ATOM 73 CB LYS A 6 -3.861 7.150 -1.174 1.00 23.33 C ATOM 74 CG LYS A 6 -2.997 8.092 -1.994 1.00 12.54 C ATOM 75 CD LYS A 6 -3.214 9.541 -1.589 1.00 62.24 C ATOM 76 CE LYS A 6 -4.375 10.163 -2.349 1.00 43.42 C ATOM 77 NZ LYS A 6 -4.228 11.640 -2.475 1.00 61.11 N ATOM 0 H LYS A 6 -4.899 4.285 -0.717 1.00 0.12 H new ATOM 0 HA LYS A 6 -4.703 6.149 -2.880 1.00 45.53 H new ATOM 0 HB2 LYS A 6 -4.763 7.676 -0.863 1.00 23.33 H new ATOM 0 HB3 LYS A 6 -3.324 6.875 -0.266 1.00 23.33 H new ATOM 0 HG2 LYS A 6 -1.947 7.830 -1.864 1.00 12.54 H new ATOM 0 HG3 LYS A 6 -3.227 7.970 -3.052 1.00 12.54 H new ATOM 0 HD2 LYS A 6 -3.408 9.596 -0.518 1.00 62.24 H new ATOM 0 HD3 LYS A 6 -2.306 10.113 -1.778 1.00 62.24 H new ATOM 0 HE2 LYS A 6 -4.439 9.718 -3.342 1.00 43.42 H new ATOM 0 HE3 LYS A 6 -5.309 9.933 -1.836 1.00 43.42 H new ATOM 0 HZ1 LYS A 6 -5.039 12.026 -2.999 1.00 61.11 H new ATOM 0 HZ2 LYS A 6 -4.193 12.067 -1.528 1.00 61.11 H new ATOM 0 HZ3 LYS A 6 -3.349 11.859 -2.987 1.00 61.11 H new ATOM 91 N VAL A 7 -2.346 5.294 -3.294 1.00 63.12 N ATOM 92 CA VAL A 7 -1.145 4.550 -3.658 1.00 64.04 C ATOM 93 C VAL A 7 0.109 5.389 -3.439 1.00 54.43 C ATOM 94 O VAL A 7 0.124 6.587 -3.720 1.00 41.41 O ATOM 95 CB VAL A 7 -1.193 4.093 -5.128 1.00 42.24 C ATOM 96 CG1 VAL A 7 -1.343 5.289 -6.056 1.00 41.21 C ATOM 97 CG2 VAL A 7 0.053 3.291 -5.478 1.00 10.35 C ATOM 0 H VAL A 7 -2.607 6.025 -3.956 1.00 63.12 H new ATOM 0 HA VAL A 7 -1.108 3.672 -3.013 1.00 64.04 H new ATOM 0 HB VAL A 7 -2.062 3.449 -5.261 1.00 42.24 H new ATOM 0 HG11 VAL A 7 -1.375 4.945 -7.090 1.00 41.21 H new ATOM 0 HG12 VAL A 7 -2.266 5.818 -5.821 1.00 41.21 H new ATOM 0 HG13 VAL A 7 -0.495 5.961 -5.923 1.00 41.21 H new ATOM 0 HG21 VAL A 7 0.002 2.976 -6.520 1.00 10.35 H new ATOM 0 HG22 VAL A 7 0.938 3.910 -5.329 1.00 10.35 H new ATOM 0 HG23 VAL A 7 0.112 2.412 -4.836 1.00 10.35 H new ATOM 107 N TYR A 8 1.160 4.752 -2.935 1.00 33.00 N ATOM 108 CA TYR A 8 2.419 5.440 -2.676 1.00 10.12 C ATOM 109 C TYR A 8 3.571 4.765 -3.415 1.00 13.33 C ATOM 110 O TYR A 8 4.195 3.839 -2.899 1.00 62.14 O ATOM 111 CB TYR A 8 2.709 5.468 -1.174 1.00 53.22 C ATOM 112 CG TYR A 8 3.233 6.798 -0.683 1.00 14.32 C ATOM 113 CD1 TYR A 8 2.544 7.977 -0.942 1.00 60.23 C ATOM 114 CD2 TYR A 8 4.416 6.877 0.041 1.00 23.41 C ATOM 115 CE1 TYR A 8 3.019 9.195 -0.497 1.00 3.43 C ATOM 116 CE2 TYR A 8 4.898 8.091 0.492 1.00 24.20 C ATOM 117 CZ TYR A 8 4.197 9.247 0.221 1.00 74.33 C ATOM 118 OH TYR A 8 4.673 10.458 0.668 1.00 74.43 O ATOM 0 H TYR A 8 1.165 3.760 -2.698 1.00 33.00 H new ATOM 0 HA TYR A 8 2.327 6.463 -3.041 1.00 10.12 H new ATOM 0 HB2 TYR A 8 1.795 5.224 -0.632 1.00 53.22 H new ATOM 0 HB3 TYR A 8 3.436 4.691 -0.938 1.00 53.22 H new ATOM 0 HD1 TYR A 8 1.621 7.940 -1.501 1.00 60.23 H new ATOM 0 HD2 TYR A 8 4.968 5.974 0.255 1.00 23.41 H new ATOM 0 HE1 TYR A 8 2.472 10.102 -0.709 1.00 3.43 H new ATOM 0 HE2 TYR A 8 5.819 8.134 1.054 1.00 24.20 H new ATOM 0 HH TYR A 8 5.511 10.320 1.157 1.00 74.43 H new ATOM 128 N GLU A 9 3.845 5.238 -4.626 1.00 4.41 N ATOM 129 CA GLU A 9 4.921 4.682 -5.437 1.00 64.30 C ATOM 130 C GLU A 9 6.273 4.877 -4.756 1.00 21.25 C ATOM 131 O GLU A 9 7.241 4.183 -5.063 1.00 71.32 O ATOM 132 CB GLU A 9 4.937 5.333 -6.821 1.00 45.32 C ATOM 133 CG GLU A 9 5.197 6.830 -6.786 1.00 71.13 C ATOM 134 CD GLU A 9 3.920 7.642 -6.681 1.00 62.30 C ATOM 135 OE1 GLU A 9 2.839 7.033 -6.542 1.00 31.14 O ATOM 136 OE2 GLU A 9 4.003 8.887 -6.737 1.00 31.41 O ATOM 0 H GLU A 9 3.337 6.005 -5.067 1.00 4.41 H new ATOM 0 HA GLU A 9 4.740 3.613 -5.549 1.00 64.30 H new ATOM 0 HB2 GLU A 9 5.703 4.854 -7.430 1.00 45.32 H new ATOM 0 HB3 GLU A 9 3.980 5.150 -7.310 1.00 45.32 H new ATOM 0 HG2 GLU A 9 5.842 7.063 -5.939 1.00 71.13 H new ATOM 0 HG3 GLU A 9 5.736 7.123 -7.687 1.00 71.13 H new ATOM 143 N ASN A 10 6.330 5.827 -3.828 1.00 72.02 N ATOM 144 CA ASN A 10 7.562 6.116 -3.104 1.00 35.32 C ATOM 145 C ASN A 10 8.055 4.880 -2.357 1.00 24.01 C ATOM 146 O ASN A 10 9.235 4.776 -2.019 1.00 12.30 O ATOM 147 CB ASN A 10 7.343 7.266 -2.120 1.00 74.21 C ATOM 148 CG ASN A 10 8.425 7.335 -1.059 1.00 54.24 C ATOM 149 OD1 ASN A 10 8.333 6.680 -0.020 1.00 42.33 O ATOM 150 ND2 ASN A 10 9.456 8.130 -1.318 1.00 71.30 N ATOM 0 H ASN A 10 5.537 6.410 -3.560 1.00 72.02 H new ATOM 0 HA ASN A 10 8.321 6.408 -3.830 1.00 35.32 H new ATOM 0 HB2 ASN A 10 7.314 8.208 -2.667 1.00 74.21 H new ATOM 0 HB3 ASN A 10 6.373 7.148 -1.638 1.00 74.21 H new ATOM 0 HD21 ASN A 10 10.215 8.217 -0.642 1.00 71.30 H new ATOM 0 HD22 ASN A 10 9.489 8.654 -2.193 1.00 71.30 H new ATOM 157 N TYR A 11 7.145 3.946 -2.103 1.00 52.35 N ATOM 158 CA TYR A 11 7.487 2.718 -1.395 1.00 44.23 C ATOM 159 C TYR A 11 8.302 1.785 -2.285 1.00 22.05 C ATOM 160 O TYR A 11 8.298 1.894 -3.511 1.00 35.22 O ATOM 161 CB TYR A 11 6.218 2.009 -0.920 1.00 21.54 C ATOM 162 CG TYR A 11 5.737 2.471 0.437 1.00 11.23 C ATOM 163 CD1 TYR A 11 6.595 2.493 1.529 1.00 22.44 C ATOM 164 CD2 TYR A 11 4.425 2.887 0.627 1.00 12.31 C ATOM 165 CE1 TYR A 11 6.161 2.913 2.772 1.00 41.14 C ATOM 166 CE2 TYR A 11 3.982 3.311 1.865 1.00 24.33 C ATOM 167 CZ TYR A 11 4.853 3.322 2.934 1.00 45.01 C ATOM 168 OH TYR A 11 4.416 3.743 4.169 1.00 21.33 O ATOM 0 H TYR A 11 6.165 4.016 -2.377 1.00 52.35 H new ATOM 0 HA TYR A 11 8.093 2.984 -0.529 1.00 44.23 H new ATOM 0 HB2 TYR A 11 5.426 2.171 -1.651 1.00 21.54 H new ATOM 0 HB3 TYR A 11 6.404 0.936 -0.884 1.00 21.54 H new ATOM 0 HD1 TYR A 11 7.620 2.176 1.404 1.00 22.44 H new ATOM 0 HD2 TYR A 11 3.740 2.879 -0.208 1.00 12.31 H new ATOM 0 HE1 TYR A 11 6.841 2.921 3.611 1.00 41.14 H new ATOM 0 HE2 TYR A 11 2.959 3.632 1.995 1.00 24.33 H new ATOM 0 HH TYR A 11 3.471 3.998 4.112 1.00 21.33 H new ATOM 178 N PRO A 12 9.019 0.844 -1.653 1.00 71.22 N ATOM 179 CA PRO A 12 9.853 -0.129 -2.367 1.00 13.23 C ATOM 180 C PRO A 12 9.022 -1.144 -3.144 1.00 33.22 C ATOM 181 O PRO A 12 8.211 -1.869 -2.566 1.00 40.24 O ATOM 182 CB PRO A 12 10.630 -0.821 -1.244 1.00 42.54 C ATOM 183 CG PRO A 12 9.772 -0.665 -0.037 1.00 20.30 C ATOM 184 CD PRO A 12 9.071 0.657 -0.194 1.00 24.33 C ATOM 0 HA PRO A 12 10.489 0.348 -3.113 1.00 13.23 H new ATOM 0 HB2 PRO A 12 10.804 -1.872 -1.473 1.00 42.54 H new ATOM 0 HB3 PRO A 12 11.607 -0.361 -1.097 1.00 42.54 H new ATOM 0 HG2 PRO A 12 9.053 -1.481 0.039 1.00 20.30 H new ATOM 0 HG3 PRO A 12 10.372 -0.683 0.873 1.00 20.30 H new ATOM 0 HD2 PRO A 12 8.073 0.637 0.244 1.00 24.33 H new ATOM 0 HD3 PRO A 12 9.618 1.463 0.295 1.00 24.33 H new ATOM 192 N VAL A 13 9.229 -1.191 -4.455 1.00 75.53 N ATOM 193 CA VAL A 13 8.500 -2.120 -5.312 1.00 12.02 C ATOM 194 C VAL A 13 8.907 -3.562 -5.031 1.00 13.13 C ATOM 195 O VAL A 13 8.075 -4.469 -5.058 1.00 51.42 O ATOM 196 CB VAL A 13 8.736 -1.813 -6.802 1.00 4.31 C ATOM 197 CG1 VAL A 13 7.842 -2.679 -7.675 1.00 14.10 C ATOM 198 CG2 VAL A 13 8.503 -0.337 -7.085 1.00 1.53 C ATOM 0 H VAL A 13 9.896 -0.597 -4.948 1.00 75.53 H new ATOM 0 HA VAL A 13 7.441 -1.994 -5.086 1.00 12.02 H new ATOM 0 HB VAL A 13 9.773 -2.047 -7.043 1.00 4.31 H new ATOM 0 HG11 VAL A 13 8.024 -2.447 -8.724 1.00 14.10 H new ATOM 0 HG12 VAL A 13 8.063 -3.731 -7.492 1.00 14.10 H new ATOM 0 HG13 VAL A 13 6.797 -2.481 -7.435 1.00 14.10 H new ATOM 0 HG21 VAL A 13 8.674 -0.138 -8.143 1.00 1.53 H new ATOM 0 HG22 VAL A 13 7.477 -0.075 -6.828 1.00 1.53 H new ATOM 0 HG23 VAL A 13 9.191 0.261 -6.487 1.00 1.53 H new ATOM 208 N SER A 14 10.192 -3.766 -4.759 1.00 2.44 N ATOM 209 CA SER A 14 10.711 -5.099 -4.475 1.00 73.01 C ATOM 210 C SER A 14 10.073 -5.673 -3.214 1.00 72.33 C ATOM 211 O SER A 14 9.583 -6.803 -3.212 1.00 5.05 O ATOM 212 CB SER A 14 12.232 -5.054 -4.316 1.00 71.34 C ATOM 213 OG SER A 14 12.870 -4.858 -5.566 1.00 30.02 O ATOM 0 H SER A 14 10.893 -3.025 -4.729 1.00 2.44 H new ATOM 0 HA SER A 14 10.460 -5.746 -5.315 1.00 73.01 H new ATOM 0 HB2 SER A 14 12.506 -4.249 -3.634 1.00 71.34 H new ATOM 0 HB3 SER A 14 12.582 -5.984 -3.868 1.00 71.34 H new ATOM 0 HG SER A 14 13.841 -4.831 -5.437 1.00 30.02 H new ATOM 219 N LYS A 15 10.082 -4.887 -2.144 1.00 54.20 N ATOM 220 CA LYS A 15 9.504 -5.314 -0.875 1.00 15.02 C ATOM 221 C LYS A 15 7.979 -5.315 -0.944 1.00 71.34 C ATOM 222 O LYS A 15 7.309 -5.901 -0.094 1.00 63.02 O ATOM 223 CB LYS A 15 9.972 -4.398 0.257 1.00 42.12 C ATOM 224 CG LYS A 15 11.089 -4.992 1.098 1.00 62.43 C ATOM 225 CD LYS A 15 12.287 -5.374 0.244 1.00 31.34 C ATOM 226 CE LYS A 15 13.491 -5.732 1.102 1.00 52.30 C ATOM 227 NZ LYS A 15 14.695 -6.019 0.274 1.00 62.53 N ATOM 0 H LYS A 15 10.484 -3.949 -2.130 1.00 54.20 H new ATOM 0 HA LYS A 15 9.842 -6.331 -0.675 1.00 15.02 H new ATOM 0 HB2 LYS A 15 10.312 -3.454 -0.168 1.00 42.12 H new ATOM 0 HB3 LYS A 15 9.124 -4.170 0.903 1.00 42.12 H new ATOM 0 HG2 LYS A 15 11.396 -4.272 1.857 1.00 62.43 H new ATOM 0 HG3 LYS A 15 10.721 -5.873 1.624 1.00 62.43 H new ATOM 0 HD2 LYS A 15 12.027 -6.221 -0.392 1.00 31.34 H new ATOM 0 HD3 LYS A 15 12.543 -4.546 -0.417 1.00 31.34 H new ATOM 0 HE2 LYS A 15 13.707 -4.911 1.785 1.00 52.30 H new ATOM 0 HE3 LYS A 15 13.255 -6.602 1.714 1.00 52.30 H new ATOM 0 HZ1 LYS A 15 15.494 -6.259 0.895 1.00 62.53 H new ATOM 0 HZ2 LYS A 15 14.497 -6.819 -0.361 1.00 62.53 H new ATOM 0 HZ3 LYS A 15 14.936 -5.180 -0.291 1.00 62.53 H new ATOM 241 N CYS A 16 7.438 -4.655 -1.964 1.00 20.22 N ATOM 242 CA CYS A 16 5.994 -4.581 -2.145 1.00 55.13 C ATOM 243 C CYS A 16 5.377 -5.976 -2.189 1.00 24.45 C ATOM 244 O CYS A 16 4.250 -6.181 -1.740 1.00 52.00 O ATOM 245 CB CYS A 16 5.658 -3.824 -3.432 1.00 24.04 C ATOM 246 SG CYS A 16 4.354 -2.566 -3.236 1.00 64.25 S ATOM 0 H CYS A 16 7.978 -4.165 -2.677 1.00 20.22 H new ATOM 0 HA CYS A 16 5.575 -4.044 -1.294 1.00 55.13 H new ATOM 0 HB2 CYS A 16 6.562 -3.340 -3.803 1.00 24.04 H new ATOM 0 HB3 CYS A 16 5.345 -4.541 -4.191 1.00 24.04 H new ATOM 251 N GLN A 17 6.127 -6.931 -2.729 1.00 72.24 N ATOM 252 CA GLN A 17 5.653 -8.307 -2.832 1.00 2.03 C ATOM 253 C GLN A 17 5.184 -8.822 -1.475 1.00 71.44 C ATOM 254 O GLN A 17 4.327 -9.705 -1.398 1.00 2.12 O ATOM 255 CB GLN A 17 6.761 -9.210 -3.378 1.00 51.12 C ATOM 256 CG GLN A 17 7.864 -9.497 -2.372 1.00 15.00 C ATOM 257 CD GLN A 17 9.085 -10.128 -3.009 1.00 64.33 C ATOM 258 OE1 GLN A 17 9.141 -10.311 -4.226 1.00 71.01 O ATOM 259 NE2 GLN A 17 10.075 -10.464 -2.189 1.00 33.32 N ATOM 0 H GLN A 17 7.064 -6.778 -3.102 1.00 72.24 H new ATOM 0 HA GLN A 17 4.808 -8.324 -3.520 1.00 2.03 H new ATOM 0 HB2 GLN A 17 6.322 -10.154 -3.702 1.00 51.12 H new ATOM 0 HB3 GLN A 17 7.198 -8.742 -4.260 1.00 51.12 H new ATOM 0 HG2 GLN A 17 8.154 -8.568 -1.882 1.00 15.00 H new ATOM 0 HG3 GLN A 17 7.480 -10.160 -1.597 1.00 15.00 H new ATOM 0 HE21 GLN A 17 9.987 -10.295 -1.187 1.00 33.32 H new ATOM 0 HE22 GLN A 17 10.923 -10.891 -2.561 1.00 33.32 H new ATOM 268 N LEU A 18 5.748 -8.267 -0.409 1.00 21.50 N ATOM 269 CA LEU A 18 5.386 -8.672 0.946 1.00 44.13 C ATOM 270 C LEU A 18 4.083 -8.011 1.381 1.00 33.15 C ATOM 271 O LEU A 18 3.920 -6.798 1.263 1.00 61.02 O ATOM 272 CB LEU A 18 6.506 -8.308 1.922 1.00 22.35 C ATOM 273 CG LEU A 18 7.742 -9.210 1.893 1.00 74.20 C ATOM 274 CD1 LEU A 18 8.944 -8.486 2.479 1.00 63.21 C ATOM 275 CD2 LEU A 18 7.475 -10.504 2.649 1.00 12.20 C ATOM 0 H LEU A 18 6.457 -7.536 -0.455 1.00 21.50 H new ATOM 0 HA LEU A 18 5.243 -9.753 0.951 1.00 44.13 H new ATOM 0 HB2 LEU A 18 6.822 -7.285 1.716 1.00 22.35 H new ATOM 0 HB3 LEU A 18 6.097 -8.318 2.933 1.00 22.35 H new ATOM 0 HG LEU A 18 7.964 -9.458 0.855 1.00 74.20 H new ATOM 0 HD11 LEU A 18 9.814 -9.142 2.450 1.00 63.21 H new ATOM 0 HD12 LEU A 18 9.148 -7.588 1.896 1.00 63.21 H new ATOM 0 HD13 LEU A 18 8.733 -8.208 3.512 1.00 63.21 H new ATOM 0 HD21 LEU A 18 8.364 -11.133 2.618 1.00 12.20 H new ATOM 0 HD22 LEU A 18 7.228 -10.275 3.686 1.00 12.20 H new ATOM 0 HD23 LEU A 18 6.641 -11.031 2.185 1.00 12.20 H new ATOM 287 N ALA A 19 3.157 -8.820 1.887 1.00 54.33 N ATOM 288 CA ALA A 19 1.869 -8.314 2.344 1.00 14.54 C ATOM 289 C ALA A 19 1.965 -7.772 3.767 1.00 73.12 C ATOM 290 O ALA A 19 1.200 -6.892 4.159 1.00 54.30 O ATOM 291 CB ALA A 19 0.814 -9.407 2.265 1.00 32.52 C ATOM 0 H ALA A 19 3.275 -9.828 1.990 1.00 54.33 H new ATOM 0 HA ALA A 19 1.577 -7.493 1.689 1.00 14.54 H new ATOM 0 HB1 ALA A 19 -0.143 -9.015 2.609 1.00 32.52 H new ATOM 0 HB2 ALA A 19 0.717 -9.745 1.233 1.00 32.52 H new ATOM 0 HB3 ALA A 19 1.111 -10.245 2.895 1.00 32.52 H new ATOM 297 N ASN A 20 2.911 -8.303 4.534 1.00 34.54 N ATOM 298 CA ASN A 20 3.105 -7.873 5.915 1.00 64.54 C ATOM 299 C ASN A 20 3.906 -6.575 5.971 1.00 32.13 C ATOM 300 O ASN A 20 3.840 -5.838 6.955 1.00 54.14 O ATOM 301 CB ASN A 20 3.824 -8.963 6.713 1.00 11.45 C ATOM 302 CG ASN A 20 3.101 -10.294 6.654 1.00 72.12 C ATOM 303 OD1 ASN A 20 3.163 -11.003 5.649 1.00 3.11 O ATOM 304 ND2 ASN A 20 2.409 -10.641 7.733 1.00 54.55 N ATOM 0 H ASN A 20 3.555 -9.031 4.224 1.00 34.54 H new ATOM 0 HA ASN A 20 2.125 -7.695 6.357 1.00 64.54 H new ATOM 0 HB2 ASN A 20 4.836 -9.085 6.327 1.00 11.45 H new ATOM 0 HB3 ASN A 20 3.916 -8.648 7.752 1.00 11.45 H new ATOM 0 HD21 ASN A 20 1.902 -11.526 7.751 1.00 54.55 H new ATOM 0 HD22 ASN A 20 2.385 -10.023 8.544 1.00 54.55 H new ATOM 311 N GLN A 21 4.659 -6.304 4.911 1.00 62.22 N ATOM 312 CA GLN A 21 5.471 -5.095 4.840 1.00 10.21 C ATOM 313 C GLN A 21 4.633 -3.901 4.397 1.00 40.23 C ATOM 314 O GLN A 21 4.800 -2.790 4.900 1.00 34.25 O ATOM 315 CB GLN A 21 6.643 -5.297 3.878 1.00 54.31 C ATOM 316 CG GLN A 21 7.481 -4.047 3.668 1.00 52.33 C ATOM 317 CD GLN A 21 8.247 -3.642 4.912 1.00 22.12 C ATOM 318 OE1 GLN A 21 8.316 -4.395 5.885 1.00 52.45 O ATOM 319 NE2 GLN A 21 8.827 -2.448 4.888 1.00 23.43 N ATOM 0 H GLN A 21 4.724 -6.905 4.089 1.00 62.22 H new ATOM 0 HA GLN A 21 5.861 -4.891 5.837 1.00 10.21 H new ATOM 0 HB2 GLN A 21 7.282 -6.093 4.260 1.00 54.31 H new ATOM 0 HB3 GLN A 21 6.258 -5.632 2.915 1.00 54.31 H new ATOM 0 HG2 GLN A 21 8.184 -4.218 2.853 1.00 52.33 H new ATOM 0 HG3 GLN A 21 6.832 -3.226 3.362 1.00 52.33 H new ATOM 0 HE21 GLN A 21 8.744 -1.857 4.061 1.00 23.43 H new ATOM 0 HE22 GLN A 21 9.356 -2.122 5.697 1.00 23.43 H new ATOM 328 N CYS A 22 3.731 -4.137 3.449 1.00 3.01 N ATOM 329 CA CYS A 22 2.867 -3.081 2.936 1.00 54.24 C ATOM 330 C CYS A 22 1.972 -2.525 4.040 1.00 62.23 C ATOM 331 O CYS A 22 2.033 -1.341 4.365 1.00 43.11 O ATOM 332 CB CYS A 22 2.007 -3.611 1.786 1.00 45.42 C ATOM 333 SG CYS A 22 2.349 -2.824 0.179 1.00 32.12 S ATOM 0 H CYS A 22 3.580 -5.050 3.021 1.00 3.01 H new ATOM 0 HA CYS A 22 3.501 -2.275 2.566 1.00 54.24 H new ATOM 0 HB2 CYS A 22 2.165 -4.685 1.693 1.00 45.42 H new ATOM 0 HB3 CYS A 22 0.956 -3.464 2.034 1.00 45.42 H new ATOM 338 N ASN A 23 1.142 -3.391 4.613 1.00 63.24 N ATOM 339 CA ASN A 23 0.235 -2.987 5.681 1.00 74.25 C ATOM 340 C ASN A 23 1.007 -2.410 6.863 1.00 51.00 C ATOM 341 O ASN A 23 0.511 -1.538 7.576 1.00 1.02 O ATOM 342 CB ASN A 23 -0.607 -4.179 6.141 1.00 54.13 C ATOM 343 CG ASN A 23 0.012 -4.903 7.320 1.00 21.32 C ATOM 344 OD1 ASN A 23 -0.492 -4.832 8.441 1.00 24.01 O ATOM 345 ND2 ASN A 23 1.111 -5.607 7.071 1.00 14.11 N ATOM 0 H ASN A 23 1.079 -4.376 4.356 1.00 63.24 H new ATOM 0 HA ASN A 23 -0.425 -2.213 5.289 1.00 74.25 H new ATOM 0 HB2 ASN A 23 -1.604 -3.833 6.414 1.00 54.13 H new ATOM 0 HB3 ASN A 23 -0.728 -4.877 5.312 1.00 54.13 H new ATOM 0 HD21 ASN A 23 1.572 -6.117 7.825 1.00 14.11 H new ATOM 0 HD22 ASN A 23 1.494 -5.638 6.126 1.00 14.11 H new ATOM 352 N TYR A 24 2.224 -2.902 7.063 1.00 24.32 N ATOM 353 CA TYR A 24 3.066 -2.436 8.159 1.00 24.44 C ATOM 354 C TYR A 24 3.469 -0.979 7.957 1.00 54.33 C ATOM 355 O TYR A 24 3.401 -0.171 8.883 1.00 40.02 O ATOM 356 CB TYR A 24 4.316 -3.311 8.277 1.00 40.42 C ATOM 357 CG TYR A 24 5.356 -2.756 9.224 1.00 53.55 C ATOM 358 CD1 TYR A 24 5.116 -2.694 10.591 1.00 40.30 C ATOM 359 CD2 TYR A 24 6.579 -2.295 8.752 1.00 74.43 C ATOM 360 CE1 TYR A 24 6.063 -2.187 11.460 1.00 55.34 C ATOM 361 CE2 TYR A 24 7.533 -1.788 9.613 1.00 34.31 C ATOM 362 CZ TYR A 24 7.270 -1.736 10.966 1.00 14.40 C ATOM 363 OH TYR A 24 8.216 -1.231 11.828 1.00 35.33 O ATOM 0 H TYR A 24 2.650 -3.623 6.481 1.00 24.32 H new ATOM 0 HA TYR A 24 2.490 -2.509 9.081 1.00 24.44 H new ATOM 0 HB2 TYR A 24 4.023 -4.305 8.615 1.00 40.42 H new ATOM 0 HB3 TYR A 24 4.762 -3.428 7.289 1.00 40.42 H new ATOM 0 HD1 TYR A 24 4.173 -3.048 10.981 1.00 40.30 H new ATOM 0 HD2 TYR A 24 6.787 -2.334 7.693 1.00 74.43 H new ATOM 0 HE1 TYR A 24 5.860 -2.144 12.520 1.00 55.34 H new ATOM 0 HE2 TYR A 24 8.479 -1.435 9.229 1.00 34.31 H new ATOM 0 HH TYR A 24 9.009 -0.958 11.320 1.00 35.33 H new ATOM 373 N ASP A 25 3.885 -0.651 6.738 1.00 5.34 N ATOM 374 CA ASP A 25 4.297 0.710 6.412 1.00 20.25 C ATOM 375 C ASP A 25 3.083 1.616 6.232 1.00 40.11 C ATOM 376 O ASP A 25 3.130 2.804 6.548 1.00 1.41 O ATOM 377 CB ASP A 25 5.147 0.716 5.141 1.00 1.00 C ATOM 378 CG ASP A 25 6.251 -0.324 5.176 1.00 14.04 C ATOM 379 OD1 ASP A 25 6.837 -0.529 6.260 1.00 74.14 O ATOM 380 OD2 ASP A 25 6.527 -0.931 4.121 1.00 61.21 O ATOM 0 H ASP A 25 3.946 -1.308 5.960 1.00 5.34 H new ATOM 0 HA ASP A 25 4.893 1.092 7.240 1.00 20.25 H new ATOM 0 HB2 ASP A 25 4.506 0.532 4.278 1.00 1.00 H new ATOM 0 HB3 ASP A 25 5.587 1.704 5.007 1.00 1.00 H new ATOM 385 N CYS A 26 1.997 1.046 5.719 1.00 12.44 N ATOM 386 CA CYS A 26 0.771 1.802 5.495 1.00 13.21 C ATOM 387 C CYS A 26 0.131 2.209 6.820 1.00 21.44 C ATOM 388 O CYS A 26 -0.140 3.386 7.057 1.00 42.43 O ATOM 389 CB CYS A 26 -0.218 0.976 4.671 1.00 55.02 C ATOM 390 SG CYS A 26 0.212 0.844 2.906 1.00 2.13 S ATOM 0 H CYS A 26 1.942 0.063 5.451 1.00 12.44 H new ATOM 0 HA CYS A 26 1.028 2.707 4.944 1.00 13.21 H new ATOM 0 HB2 CYS A 26 -0.279 -0.026 5.095 1.00 55.02 H new ATOM 0 HB3 CYS A 26 -1.209 1.421 4.760 1.00 55.02 H new ATOM 395 N LYS A 27 -0.106 1.226 7.681 1.00 22.15 N ATOM 396 CA LYS A 27 -0.711 1.478 8.984 1.00 41.41 C ATOM 397 C LYS A 27 0.225 2.294 9.870 1.00 32.43 C ATOM 398 O LYS A 27 -0.176 2.788 10.924 1.00 1.31 O ATOM 399 CB LYS A 27 -1.060 0.156 9.672 1.00 54.23 C ATOM 400 CG LYS A 27 -2.129 -0.642 8.948 1.00 34.32 C ATOM 401 CD LYS A 27 -3.028 -1.384 9.924 1.00 21.31 C ATOM 402 CE LYS A 27 -2.269 -2.479 10.658 1.00 31.45 C ATOM 403 NZ LYS A 27 -2.974 -2.906 11.899 1.00 64.13 N ATOM 0 H LYS A 27 0.112 0.246 7.500 1.00 22.15 H new ATOM 0 HA LYS A 27 -1.625 2.051 8.828 1.00 41.41 H new ATOM 0 HB2 LYS A 27 -0.158 -0.451 9.753 1.00 54.23 H new ATOM 0 HB3 LYS A 27 -1.398 0.363 10.687 1.00 54.23 H new ATOM 0 HG2 LYS A 27 -2.731 0.028 8.334 1.00 34.32 H new ATOM 0 HG3 LYS A 27 -1.657 -1.355 8.272 1.00 34.32 H new ATOM 0 HD2 LYS A 27 -3.442 -0.680 10.646 1.00 21.31 H new ATOM 0 HD3 LYS A 27 -3.869 -1.821 9.386 1.00 21.31 H new ATOM 0 HE2 LYS A 27 -2.142 -3.338 9.999 1.00 31.45 H new ATOM 0 HE3 LYS A 27 -1.271 -2.122 10.912 1.00 31.45 H new ATOM 0 HZ1 LYS A 27 -2.425 -3.653 12.370 1.00 64.13 H new ATOM 0 HZ2 LYS A 27 -3.073 -2.093 12.539 1.00 64.13 H new ATOM 0 HZ3 LYS A 27 -3.917 -3.271 11.655 1.00 64.13 H new ATOM 417 N LEU A 28 1.472 2.432 9.436 1.00 61.32 N ATOM 418 CA LEU A 28 2.466 3.189 10.189 1.00 72.31 C ATOM 419 C LEU A 28 2.282 4.688 9.978 1.00 10.34 C ATOM 420 O LEU A 28 2.004 5.428 10.923 1.00 52.14 O ATOM 421 CB LEU A 28 3.877 2.774 9.771 1.00 3.01 C ATOM 422 CG LEU A 28 4.728 2.106 10.852 1.00 70.34 C ATOM 423 CD1 LEU A 28 5.148 3.121 11.904 1.00 21.22 C ATOM 424 CD2 LEU A 28 3.967 0.954 11.493 1.00 20.21 C ATOM 0 H LEU A 28 1.820 2.029 8.566 1.00 61.32 H new ATOM 0 HA LEU A 28 2.328 2.969 11.248 1.00 72.31 H new ATOM 0 HB2 LEU A 28 3.798 2.091 8.925 1.00 3.01 H new ATOM 0 HB3 LEU A 28 4.405 3.660 9.417 1.00 3.01 H new ATOM 0 HG LEU A 28 5.627 1.706 10.384 1.00 70.34 H new ATOM 0 HD11 LEU A 28 5.753 2.627 12.665 1.00 21.22 H new ATOM 0 HD12 LEU A 28 5.732 3.912 11.434 1.00 21.22 H new ATOM 0 HD13 LEU A 28 4.261 3.552 12.369 1.00 21.22 H new ATOM 0 HD21 LEU A 28 4.587 0.490 12.260 1.00 20.21 H new ATOM 0 HD22 LEU A 28 3.051 1.331 11.947 1.00 20.21 H new ATOM 0 HD23 LEU A 28 3.717 0.215 10.732 1.00 20.21 H new ATOM 436 N ASP A 29 2.436 5.129 8.735 1.00 43.24 N ATOM 437 CA ASP A 29 2.284 6.540 8.400 1.00 51.55 C ATOM 438 C ASP A 29 0.867 6.835 7.916 1.00 64.42 C ATOM 439 O ASP A 29 0.205 7.743 8.416 1.00 54.43 O ATOM 440 CB ASP A 29 3.297 6.944 7.326 1.00 32.43 C ATOM 441 CG ASP A 29 3.307 8.438 7.073 1.00 54.22 C ATOM 442 OD1 ASP A 29 2.390 8.928 6.381 1.00 44.33 O ATOM 443 OD2 ASP A 29 4.232 9.118 7.566 1.00 12.10 O ATOM 0 H ASP A 29 2.666 4.530 7.942 1.00 43.24 H new ATOM 0 HA ASP A 29 2.470 7.123 9.302 1.00 51.55 H new ATOM 0 HB2 ASP A 29 4.293 6.623 7.631 1.00 32.43 H new ATOM 0 HB3 ASP A 29 3.065 6.423 6.397 1.00 32.43 H new ATOM 448 N LYS A 30 0.409 6.059 6.939 1.00 21.15 N ATOM 449 CA LYS A 30 -0.929 6.234 6.387 1.00 52.04 C ATOM 450 C LYS A 30 -1.993 5.795 7.387 1.00 3.13 C ATOM 451 O LYS A 30 -3.184 6.035 7.187 1.00 13.15 O ATOM 452 CB LYS A 30 -1.076 5.437 5.088 1.00 1.10 C ATOM 453 CG LYS A 30 0.113 5.576 4.153 1.00 65.54 C ATOM 454 CD LYS A 30 -0.319 6.015 2.763 1.00 2.33 C ATOM 455 CE LYS A 30 -0.553 7.516 2.702 1.00 2.51 C ATOM 456 NZ LYS A 30 0.678 8.254 2.301 1.00 74.20 N ATOM 0 H LYS A 30 0.945 5.303 6.513 1.00 21.15 H new ATOM 0 HA LYS A 30 -1.070 7.294 6.175 1.00 52.04 H new ATOM 0 HB2 LYS A 30 -1.215 4.384 5.331 1.00 1.10 H new ATOM 0 HB3 LYS A 30 -1.976 5.766 4.569 1.00 1.10 H new ATOM 0 HG2 LYS A 30 0.816 6.301 4.562 1.00 65.54 H new ATOM 0 HG3 LYS A 30 0.639 4.624 4.088 1.00 65.54 H new ATOM 0 HD2 LYS A 30 0.445 5.735 2.038 1.00 2.33 H new ATOM 0 HD3 LYS A 30 -1.233 5.491 2.482 1.00 2.33 H new ATOM 0 HE2 LYS A 30 -1.352 7.730 1.992 1.00 2.51 H new ATOM 0 HE3 LYS A 30 -0.888 7.871 3.676 1.00 2.51 H new ATOM 0 HZ1 LYS A 30 0.477 9.274 2.271 1.00 74.20 H new ATOM 0 HZ2 LYS A 30 1.434 8.070 2.992 1.00 74.20 H new ATOM 0 HZ3 LYS A 30 0.984 7.934 1.360 1.00 74.20 H new ATOM 470 N HIS A 31 -1.556 5.153 8.465 1.00 21.43 N ATOM 471 CA HIS A 31 -2.471 4.682 9.499 1.00 5.03 C ATOM 472 C HIS A 31 -3.615 3.879 8.888 1.00 41.23 C ATOM 473 O HIS A 31 -4.714 3.827 9.439 1.00 64.42 O ATOM 474 CB HIS A 31 -3.030 5.864 10.291 1.00 3.35 C ATOM 475 CG HIS A 31 -2.050 6.453 11.260 1.00 44.21 C ATOM 476 ND1 HIS A 31 -1.669 5.820 12.424 1.00 63.20 N ATOM 477 CD2 HIS A 31 -1.371 7.624 11.231 1.00 1.01 C ATOM 478 CE1 HIS A 31 -0.799 6.576 13.069 1.00 33.13 C ATOM 479 NE2 HIS A 31 -0.601 7.676 12.367 1.00 61.32 N ATOM 0 H HIS A 31 -0.574 4.947 8.646 1.00 21.43 H new ATOM 0 HA HIS A 31 -1.914 4.032 10.174 1.00 5.03 H new ATOM 0 HB2 HIS A 31 -3.350 6.639 9.594 1.00 3.35 H new ATOM 0 HB3 HIS A 31 -3.917 5.539 10.836 1.00 3.35 H new ATOM 0 HD2 HIS A 31 -1.425 8.377 10.459 1.00 1.01 H new ATOM 0 HE1 HIS A 31 -0.329 6.335 14.011 1.00 33.13 H new ATOM 0 HE2 HIS A 31 0.023 8.440 12.626 1.00 61.32 H new ATOM 487 N ALA A 32 -3.347 3.255 7.745 1.00 73.34 N ATOM 488 CA ALA A 32 -4.354 2.453 7.059 1.00 11.44 C ATOM 489 C ALA A 32 -4.822 1.295 7.933 1.00 11.30 C ATOM 490 O ALA A 32 -4.567 1.271 9.138 1.00 64.44 O ATOM 491 CB ALA A 32 -3.804 1.933 5.740 1.00 35.51 C ATOM 0 H ALA A 32 -2.442 3.289 7.275 1.00 73.34 H new ATOM 0 HA ALA A 32 -5.215 3.090 6.855 1.00 11.44 H new ATOM 0 HB1 ALA A 32 -4.566 1.336 5.238 1.00 35.51 H new ATOM 0 HB2 ALA A 32 -3.526 2.774 5.105 1.00 35.51 H new ATOM 0 HB3 ALA A 32 -2.926 1.316 5.930 1.00 35.51 H new ATOM 497 N ARG A 33 -5.511 0.338 7.320 1.00 23.43 N ATOM 498 CA ARG A 33 -6.016 -0.823 8.044 1.00 51.51 C ATOM 499 C ARG A 33 -5.683 -2.113 7.302 1.00 23.53 C ATOM 500 O ARG A 33 -5.364 -3.130 7.918 1.00 21.41 O ATOM 501 CB ARG A 33 -7.530 -0.709 8.237 1.00 20.53 C ATOM 502 CG ARG A 33 -8.281 -0.348 6.966 1.00 45.10 C ATOM 503 CD ARG A 33 -9.300 -1.416 6.599 1.00 62.42 C ATOM 504 NE ARG A 33 -9.533 -1.478 5.158 1.00 1.14 N ATOM 505 CZ ARG A 33 -10.618 -2.013 4.611 1.00 11.24 C ATOM 506 NH1 ARG A 33 -11.566 -2.530 5.381 1.00 21.52 N ATOM 507 NH2 ARG A 33 -10.758 -2.031 3.292 1.00 72.22 N ATOM 0 H ARG A 33 -5.732 0.343 6.324 1.00 23.43 H new ATOM 0 HA ARG A 33 -5.532 -0.851 9.020 1.00 51.51 H new ATOM 0 HB2 ARG A 33 -7.911 -1.657 8.618 1.00 20.53 H new ATOM 0 HB3 ARG A 33 -7.735 0.045 8.997 1.00 20.53 H new ATOM 0 HG2 ARG A 33 -8.787 0.608 7.100 1.00 45.10 H new ATOM 0 HG3 ARG A 33 -7.573 -0.222 6.147 1.00 45.10 H new ATOM 0 HD2 ARG A 33 -8.951 -2.386 6.952 1.00 62.42 H new ATOM 0 HD3 ARG A 33 -10.241 -1.210 7.110 1.00 62.42 H new ATOM 0 HE ARG A 33 -8.823 -1.089 4.538 1.00 1.14 H new ATOM 0 HH11 ARG A 33 -11.462 -2.517 6.396 1.00 21.52 H new ATOM 0 HH12 ARG A 33 -12.399 -2.940 4.959 1.00 21.52 H new ATOM 0 HH21 ARG A 33 -10.031 -1.633 2.697 1.00 72.22 H new ATOM 0 HH22 ARG A 33 -11.592 -2.442 2.873 1.00 72.22 H new ATOM 521 N SER A 34 -5.759 -2.065 5.977 1.00 71.44 N ATOM 522 CA SER A 34 -5.469 -3.231 5.151 1.00 74.41 C ATOM 523 C SER A 34 -4.495 -2.877 4.032 1.00 11.14 C ATOM 524 O SER A 34 -4.625 -3.355 2.906 1.00 62.32 O ATOM 525 CB SER A 34 -6.762 -3.796 4.557 1.00 24.02 C ATOM 526 OG SER A 34 -7.678 -4.155 5.577 1.00 4.42 O ATOM 0 H SER A 34 -6.019 -1.230 5.451 1.00 71.44 H new ATOM 0 HA SER A 34 -5.007 -3.988 5.785 1.00 74.41 H new ATOM 0 HB2 SER A 34 -7.217 -3.056 3.899 1.00 24.02 H new ATOM 0 HB3 SER A 34 -6.534 -4.669 3.945 1.00 24.02 H new ATOM 0 HG SER A 34 -8.496 -4.511 5.172 1.00 4.42 H new ATOM 532 N GLY A 35 -3.518 -2.035 4.352 1.00 63.03 N ATOM 533 CA GLY A 35 -2.534 -1.629 3.364 1.00 12.01 C ATOM 534 C GLY A 35 -1.889 -2.812 2.670 1.00 43.04 C ATOM 535 O GLY A 35 -1.308 -3.680 3.320 1.00 73.41 O ATOM 0 H GLY A 35 -3.390 -1.626 5.278 1.00 63.03 H new ATOM 0 HA2 GLY A 35 -3.012 -0.991 2.620 1.00 12.01 H new ATOM 0 HA3 GLY A 35 -1.762 -1.031 3.848 1.00 12.01 H new ATOM 539 N GLU A 36 -1.992 -2.846 1.344 1.00 2.52 N ATOM 540 CA GLU A 36 -1.415 -3.933 0.562 1.00 4.41 C ATOM 541 C GLU A 36 -0.919 -3.427 -0.789 1.00 74.12 C ATOM 542 O GLU A 36 -1.216 -2.301 -1.190 1.00 65.12 O ATOM 543 CB GLU A 36 -2.444 -5.045 0.357 1.00 75.51 C ATOM 544 CG GLU A 36 -1.835 -6.436 0.297 1.00 72.41 C ATOM 545 CD GLU A 36 -2.788 -7.512 0.782 1.00 64.14 C ATOM 546 OE1 GLU A 36 -3.242 -7.422 1.941 1.00 34.50 O ATOM 547 OE2 GLU A 36 -3.077 -8.444 0.002 1.00 51.44 O ATOM 0 H GLU A 36 -2.469 -2.134 0.790 1.00 2.52 H new ATOM 0 HA GLU A 36 -0.565 -4.333 1.115 1.00 4.41 H new ATOM 0 HB2 GLU A 36 -3.170 -5.010 1.169 1.00 75.51 H new ATOM 0 HB3 GLU A 36 -2.990 -4.857 -0.567 1.00 75.51 H new ATOM 0 HG2 GLU A 36 -1.538 -6.655 -0.729 1.00 72.41 H new ATOM 0 HG3 GLU A 36 -0.929 -6.458 0.903 1.00 72.41 H new ATOM 554 N CYS A 37 -0.164 -4.268 -1.489 1.00 2.34 N ATOM 555 CA CYS A 37 0.374 -3.907 -2.795 1.00 22.14 C ATOM 556 C CYS A 37 -0.410 -4.588 -3.913 1.00 23.34 C ATOM 557 O CYS A 37 -0.857 -5.726 -3.767 1.00 42.23 O ATOM 558 CB CYS A 37 1.853 -4.293 -2.884 1.00 75.13 C ATOM 559 SG CYS A 37 2.949 -3.283 -1.838 1.00 23.53 S ATOM 0 H CYS A 37 0.089 -5.204 -1.173 1.00 2.34 H new ATOM 0 HA CYS A 37 0.279 -2.828 -2.915 1.00 22.14 H new ATOM 0 HB2 CYS A 37 1.962 -5.340 -2.601 1.00 75.13 H new ATOM 0 HB3 CYS A 37 2.178 -4.208 -3.921 1.00 75.13 H new ATOM 564 N PHE A 38 -0.571 -3.885 -5.028 1.00 64.21 N ATOM 565 CA PHE A 38 -1.301 -4.421 -6.171 1.00 13.31 C ATOM 566 C PHE A 38 -0.961 -3.650 -7.443 1.00 50.33 C ATOM 567 O PHE A 38 -0.360 -2.577 -7.390 1.00 33.11 O ATOM 568 CB PHE A 38 -2.808 -4.364 -5.913 1.00 14.42 C ATOM 569 CG PHE A 38 -3.357 -5.611 -5.281 1.00 43.33 C ATOM 570 CD1 PHE A 38 -3.357 -6.811 -5.973 1.00 5.20 C ATOM 571 CD2 PHE A 38 -3.870 -5.583 -3.995 1.00 60.10 C ATOM 572 CE1 PHE A 38 -3.861 -7.960 -5.394 1.00 55.01 C ATOM 573 CE2 PHE A 38 -4.376 -6.729 -3.410 1.00 22.22 C ATOM 574 CZ PHE A 38 -4.371 -7.919 -4.111 1.00 64.41 C ATOM 0 H PHE A 38 -0.206 -2.942 -5.165 1.00 64.21 H new ATOM 0 HA PHE A 38 -1.002 -5.460 -6.307 1.00 13.31 H new ATOM 0 HB2 PHE A 38 -3.026 -3.513 -5.267 1.00 14.42 H new ATOM 0 HB3 PHE A 38 -3.323 -4.188 -6.857 1.00 14.42 H new ATOM 0 HD1 PHE A 38 -2.959 -6.849 -6.976 1.00 5.20 H new ATOM 0 HD2 PHE A 38 -3.875 -4.655 -3.443 1.00 60.10 H new ATOM 0 HE1 PHE A 38 -3.856 -8.889 -5.944 1.00 55.01 H new ATOM 0 HE2 PHE A 38 -4.774 -6.694 -2.407 1.00 22.22 H new ATOM 0 HZ PHE A 38 -4.765 -8.816 -3.657 1.00 64.41 H new ATOM 584 N TYR A 39 -1.351 -4.206 -8.586 1.00 4.42 N ATOM 585 CA TYR A 39 -1.085 -3.573 -9.872 1.00 44.34 C ATOM 586 C TYR A 39 -2.088 -2.457 -10.147 1.00 42.32 C ATOM 587 O TYR A 39 -3.237 -2.516 -9.709 1.00 23.44 O ATOM 588 CB TYR A 39 -1.139 -4.610 -10.995 1.00 42.15 C ATOM 589 CG TYR A 39 -2.518 -5.189 -11.219 1.00 41.13 C ATOM 590 CD1 TYR A 39 -3.405 -4.595 -12.110 1.00 2.24 C ATOM 591 CD2 TYR A 39 -2.934 -6.327 -10.541 1.00 20.24 C ATOM 592 CE1 TYR A 39 -4.667 -5.119 -12.317 1.00 24.14 C ATOM 593 CE2 TYR A 39 -4.193 -6.859 -10.743 1.00 72.23 C ATOM 594 CZ TYR A 39 -5.055 -6.252 -11.632 1.00 74.11 C ATOM 595 OH TYR A 39 -6.310 -6.778 -11.836 1.00 31.21 O ATOM 0 H TYR A 39 -1.852 -5.093 -8.647 1.00 4.42 H new ATOM 0 HA TYR A 39 -0.086 -3.139 -9.835 1.00 44.34 H new ATOM 0 HB2 TYR A 39 -0.793 -4.149 -11.920 1.00 42.15 H new ATOM 0 HB3 TYR A 39 -0.447 -5.420 -10.764 1.00 42.15 H new ATOM 0 HD1 TYR A 39 -3.103 -3.709 -12.649 1.00 2.24 H new ATOM 0 HD2 TYR A 39 -2.262 -6.805 -9.844 1.00 20.24 H new ATOM 0 HE1 TYR A 39 -5.345 -4.644 -13.011 1.00 24.14 H new ATOM 0 HE2 TYR A 39 -4.500 -7.745 -10.208 1.00 72.23 H new ATOM 0 HH TYR A 39 -6.425 -7.576 -11.278 1.00 31.21 H new ATOM 605 N ASP A 40 -1.644 -1.439 -10.877 1.00 41.12 N ATOM 606 CA ASP A 40 -2.502 -0.308 -11.214 1.00 23.04 C ATOM 607 C ASP A 40 -2.919 -0.361 -12.681 1.00 4.44 C ATOM 608 O ASP A 40 -2.596 -1.310 -13.393 1.00 70.21 O ATOM 609 CB ASP A 40 -1.782 1.010 -10.922 1.00 72.45 C ATOM 610 CG ASP A 40 -0.377 1.040 -11.491 1.00 52.23 C ATOM 611 OD1 ASP A 40 -0.227 0.833 -12.714 1.00 12.31 O ATOM 612 OD2 ASP A 40 0.572 1.273 -10.715 1.00 1.13 O ATOM 0 H ASP A 40 -0.696 -1.374 -11.247 1.00 41.12 H new ATOM 0 HA ASP A 40 -3.399 -0.367 -10.598 1.00 23.04 H new ATOM 0 HB2 ASP A 40 -2.358 1.836 -11.340 1.00 72.45 H new ATOM 0 HB3 ASP A 40 -1.738 1.166 -9.844 1.00 72.45 H new ATOM 617 N GLU A 41 -3.639 0.666 -13.122 1.00 40.11 N ATOM 618 CA GLU A 41 -4.101 0.735 -14.503 1.00 35.22 C ATOM 619 C GLU A 41 -2.922 0.802 -15.469 1.00 74.14 C ATOM 620 O GLU A 41 -3.055 0.487 -16.652 1.00 52.11 O ATOM 621 CB GLU A 41 -5.008 1.953 -14.701 1.00 3.05 C ATOM 622 CG GLU A 41 -4.261 3.276 -14.677 1.00 50.33 C ATOM 623 CD GLU A 41 -5.164 4.449 -14.348 1.00 44.42 C ATOM 624 OE1 GLU A 41 -5.609 4.546 -13.185 1.00 3.35 O ATOM 625 OE2 GLU A 41 -5.426 5.269 -15.252 1.00 45.25 O ATOM 0 H GLU A 41 -3.914 1.460 -12.544 1.00 40.11 H new ATOM 0 HA GLU A 41 -4.670 -0.170 -14.714 1.00 35.22 H new ATOM 0 HB2 GLU A 41 -5.529 1.857 -15.653 1.00 3.05 H new ATOM 0 HB3 GLU A 41 -5.769 1.960 -13.920 1.00 3.05 H new ATOM 0 HG2 GLU A 41 -3.458 3.223 -13.942 1.00 50.33 H new ATOM 0 HG3 GLU A 41 -3.794 3.443 -15.647 1.00 50.33 H new ATOM 632 N LYS A 42 -1.769 1.216 -14.957 1.00 60.41 N ATOM 633 CA LYS A 42 -0.565 1.324 -15.773 1.00 24.53 C ATOM 634 C LYS A 42 0.285 0.061 -15.660 1.00 1.31 C ATOM 635 O LYS A 42 1.490 0.089 -15.910 1.00 32.00 O ATOM 636 CB LYS A 42 0.257 2.543 -15.347 1.00 15.23 C ATOM 637 CG LYS A 42 -0.533 3.841 -15.354 1.00 31.32 C ATOM 638 CD LYS A 42 0.238 4.967 -14.688 1.00 42.01 C ATOM 639 CE LYS A 42 -0.628 6.203 -14.502 1.00 15.42 C ATOM 640 NZ LYS A 42 -1.730 5.966 -13.528 1.00 33.41 N ATOM 0 H LYS A 42 -1.642 1.482 -13.981 1.00 60.41 H new ATOM 0 HA LYS A 42 -0.871 1.444 -16.812 1.00 24.53 H new ATOM 0 HB2 LYS A 42 0.652 2.373 -14.345 1.00 15.23 H new ATOM 0 HB3 LYS A 42 1.113 2.645 -16.014 1.00 15.23 H new ATOM 0 HG2 LYS A 42 -0.769 4.119 -16.381 1.00 31.32 H new ATOM 0 HG3 LYS A 42 -1.482 3.693 -14.838 1.00 31.32 H new ATOM 0 HD2 LYS A 42 0.608 4.632 -13.719 1.00 42.01 H new ATOM 0 HD3 LYS A 42 1.109 5.220 -15.292 1.00 42.01 H new ATOM 0 HE2 LYS A 42 -0.009 7.031 -14.156 1.00 15.42 H new ATOM 0 HE3 LYS A 42 -1.050 6.499 -15.463 1.00 15.42 H new ATOM 0 HZ1 LYS A 42 -2.114 6.879 -13.209 1.00 33.41 H new ATOM 0 HZ2 LYS A 42 -2.484 5.413 -13.984 1.00 33.41 H new ATOM 0 HZ3 LYS A 42 -1.363 5.440 -12.709 1.00 33.41 H new ATOM 654 N ARG A 43 -0.352 -1.043 -15.283 1.00 12.24 N ATOM 655 CA ARG A 43 0.345 -2.314 -15.138 1.00 63.30 C ATOM 656 C ARG A 43 1.571 -2.163 -14.241 1.00 61.54 C ATOM 657 O ARG A 43 2.559 -2.882 -14.396 1.00 15.32 O ATOM 658 CB ARG A 43 0.765 -2.850 -16.508 1.00 1.31 C ATOM 659 CG ARG A 43 -0.391 -3.402 -17.326 1.00 41.51 C ATOM 660 CD ARG A 43 -1.105 -2.300 -18.093 1.00 73.25 C ATOM 661 NE ARG A 43 -2.068 -2.837 -19.052 1.00 21.25 N ATOM 662 CZ ARG A 43 -3.029 -2.112 -19.613 1.00 2.22 C ATOM 663 NH1 ARG A 43 -3.155 -0.827 -19.312 1.00 54.55 N ATOM 664 NH2 ARG A 43 -3.867 -2.672 -20.476 1.00 54.11 N ATOM 0 H ARG A 43 -1.349 -1.082 -15.073 1.00 12.24 H new ATOM 0 HA ARG A 43 -0.339 -3.023 -14.673 1.00 63.30 H new ATOM 0 HB2 ARG A 43 1.247 -2.050 -17.070 1.00 1.31 H new ATOM 0 HB3 ARG A 43 1.508 -3.635 -16.369 1.00 1.31 H new ATOM 0 HG2 ARG A 43 -0.019 -4.151 -18.025 1.00 41.51 H new ATOM 0 HG3 ARG A 43 -1.098 -3.905 -16.666 1.00 41.51 H new ATOM 0 HD2 ARG A 43 -1.620 -1.644 -17.391 1.00 73.25 H new ATOM 0 HD3 ARG A 43 -0.371 -1.690 -18.619 1.00 73.25 H new ATOM 0 HE ARG A 43 -1.998 -3.823 -19.304 1.00 21.25 H new ATOM 0 HH11 ARG A 43 -2.513 -0.393 -18.648 1.00 54.55 H new ATOM 0 HH12 ARG A 43 -3.894 -0.272 -19.744 1.00 54.55 H new ATOM 0 HH21 ARG A 43 -3.774 -3.661 -20.709 1.00 54.11 H new ATOM 0 HH22 ARG A 43 -4.605 -2.114 -20.906 1.00 54.11 H new ATOM 678 N ASN A 44 1.501 -1.223 -13.304 1.00 55.35 N ATOM 679 CA ASN A 44 2.605 -0.976 -12.385 1.00 73.51 C ATOM 680 C ASN A 44 2.260 -1.457 -10.978 1.00 70.45 C ATOM 681 O ASN A 44 1.135 -1.280 -10.509 1.00 1.22 O ATOM 682 CB ASN A 44 2.949 0.514 -12.355 1.00 13.52 C ATOM 683 CG ASN A 44 3.957 0.897 -13.422 1.00 60.41 C ATOM 684 OD1 ASN A 44 3.711 0.722 -14.615 1.00 53.21 O ATOM 685 ND2 ASN A 44 5.099 1.422 -12.994 1.00 63.02 N ATOM 0 H ASN A 44 0.691 -0.620 -13.162 1.00 55.35 H new ATOM 0 HA ASN A 44 3.471 -1.535 -12.740 1.00 73.51 H new ATOM 0 HB2 ASN A 44 2.038 1.097 -12.493 1.00 13.52 H new ATOM 0 HB3 ASN A 44 3.347 0.772 -11.374 1.00 13.52 H new ATOM 0 HD21 ASN A 44 5.816 1.699 -13.665 1.00 63.02 H new ATOM 0 HD22 ASN A 44 5.259 1.549 -11.995 1.00 63.02 H new ATOM 692 N LEU A 45 3.234 -2.067 -10.312 1.00 73.33 N ATOM 693 CA LEU A 45 3.034 -2.575 -8.960 1.00 13.32 C ATOM 694 C LEU A 45 3.402 -1.519 -7.922 1.00 3.30 C ATOM 695 O LEU A 45 4.506 -0.973 -7.943 1.00 70.51 O ATOM 696 CB LEU A 45 3.869 -3.837 -8.738 1.00 41.44 C ATOM 697 CG LEU A 45 3.968 -4.793 -9.927 1.00 65.25 C ATOM 698 CD1 LEU A 45 4.796 -6.016 -9.562 1.00 11.33 C ATOM 699 CD2 LEU A 45 2.580 -5.207 -10.395 1.00 65.55 C ATOM 0 H LEU A 45 4.170 -2.222 -10.686 1.00 73.33 H new ATOM 0 HA LEU A 45 1.978 -2.821 -8.844 1.00 13.32 H new ATOM 0 HB2 LEU A 45 4.877 -3.536 -8.454 1.00 41.44 H new ATOM 0 HB3 LEU A 45 3.449 -4.382 -7.893 1.00 41.44 H new ATOM 0 HG LEU A 45 4.466 -4.274 -10.746 1.00 65.25 H new ATOM 0 HD11 LEU A 45 4.855 -6.685 -10.421 1.00 11.33 H new ATOM 0 HD12 LEU A 45 5.800 -5.703 -9.276 1.00 11.33 H new ATOM 0 HD13 LEU A 45 4.327 -6.537 -8.728 1.00 11.33 H new ATOM 0 HD21 LEU A 45 2.669 -5.887 -11.242 1.00 65.55 H new ATOM 0 HD22 LEU A 45 2.056 -5.708 -9.581 1.00 65.55 H new ATOM 0 HD23 LEU A 45 2.019 -4.323 -10.698 1.00 65.55 H new ATOM 711 N GLN A 46 2.472 -1.237 -7.015 1.00 24.41 N ATOM 712 CA GLN A 46 2.701 -0.249 -5.969 1.00 13.34 C ATOM 713 C GLN A 46 2.009 -0.657 -4.673 1.00 1.14 C ATOM 714 O GLN A 46 1.291 -1.656 -4.628 1.00 71.43 O ATOM 715 CB GLN A 46 2.199 1.125 -6.418 1.00 3.52 C ATOM 716 CG GLN A 46 2.720 1.548 -7.782 1.00 21.51 C ATOM 717 CD GLN A 46 4.212 1.816 -7.779 1.00 63.12 C ATOM 718 OE1 GLN A 46 4.879 1.672 -6.754 1.00 61.33 O ATOM 719 NE2 GLN A 46 4.746 2.210 -8.930 1.00 73.43 N ATOM 0 H GLN A 46 1.553 -1.679 -6.984 1.00 24.41 H new ATOM 0 HA GLN A 46 3.774 -0.194 -5.785 1.00 13.34 H new ATOM 0 HB2 GLN A 46 1.109 1.114 -6.442 1.00 3.52 H new ATOM 0 HB3 GLN A 46 2.494 1.870 -5.679 1.00 3.52 H new ATOM 0 HG2 GLN A 46 2.496 0.768 -8.510 1.00 21.51 H new ATOM 0 HG3 GLN A 46 2.194 2.446 -8.105 1.00 21.51 H new ATOM 0 HE21 GLN A 46 4.157 2.317 -9.756 1.00 73.43 H new ATOM 0 HE22 GLN A 46 5.745 2.406 -8.988 1.00 73.43 H new ATOM 728 N CYS A 47 2.229 0.123 -3.620 1.00 13.05 N ATOM 729 CA CYS A 47 1.627 -0.157 -2.322 1.00 35.45 C ATOM 730 C CYS A 47 0.463 0.790 -2.045 1.00 61.11 C ATOM 731 O CYS A 47 0.661 1.987 -1.835 1.00 43.22 O ATOM 732 CB CYS A 47 2.675 -0.033 -1.213 1.00 33.44 C ATOM 733 SG CYS A 47 2.208 -0.853 0.346 1.00 43.30 S ATOM 0 H CYS A 47 2.820 0.954 -3.640 1.00 13.05 H new ATOM 0 HA CYS A 47 1.245 -1.178 -2.340 1.00 35.45 H new ATOM 0 HB2 CYS A 47 3.615 -0.457 -1.567 1.00 33.44 H new ATOM 0 HB3 CYS A 47 2.856 1.024 -1.015 1.00 33.44 H new ATOM 738 N ILE A 48 -0.749 0.246 -2.046 1.00 61.21 N ATOM 739 CA ILE A 48 -1.944 1.042 -1.794 1.00 44.35 C ATOM 740 C ILE A 48 -2.419 0.880 -0.355 1.00 41.41 C ATOM 741 O ILE A 48 -2.596 -0.238 0.130 1.00 3.44 O ATOM 742 CB ILE A 48 -3.090 0.655 -2.748 1.00 5.44 C ATOM 743 CG1 ILE A 48 -2.612 0.707 -4.201 1.00 31.24 C ATOM 744 CG2 ILE A 48 -4.282 1.577 -2.544 1.00 15.34 C ATOM 745 CD1 ILE A 48 -2.086 -0.617 -4.710 1.00 62.25 C ATOM 0 H ILE A 48 -0.930 -0.743 -2.219 1.00 61.21 H new ATOM 0 HA ILE A 48 -1.672 2.083 -1.969 1.00 44.35 H new ATOM 0 HB ILE A 48 -3.402 -0.365 -2.524 1.00 5.44 H new ATOM 0 HG12 ILE A 48 -3.438 1.029 -4.836 1.00 31.24 H new ATOM 0 HG13 ILE A 48 -1.828 1.459 -4.291 1.00 31.24 H new ATOM 0 HG21 ILE A 48 -5.084 1.291 -3.225 1.00 15.34 H new ATOM 0 HG22 ILE A 48 -4.633 1.495 -1.515 1.00 15.34 H new ATOM 0 HG23 ILE A 48 -3.985 2.606 -2.745 1.00 15.34 H new ATOM 0 HD11 ILE A 48 -1.765 -0.507 -5.746 1.00 62.25 H new ATOM 0 HD12 ILE A 48 -1.240 -0.931 -4.099 1.00 62.25 H new ATOM 0 HD13 ILE A 48 -2.874 -1.368 -4.652 1.00 62.25 H new ATOM 757 N CYS A 49 -2.625 2.004 0.324 1.00 23.50 N ATOM 758 CA CYS A 49 -3.081 1.989 1.709 1.00 71.34 C ATOM 759 C CYS A 49 -4.526 2.471 1.811 1.00 60.31 C ATOM 760 O CYS A 49 -4.903 3.469 1.196 1.00 30.32 O ATOM 761 CB CYS A 49 -2.176 2.865 2.576 1.00 15.41 C ATOM 762 SG CYS A 49 -0.398 2.662 2.239 1.00 60.51 S ATOM 0 H CYS A 49 -2.483 2.937 -0.063 1.00 23.50 H new ATOM 0 HA CYS A 49 -3.033 0.962 2.070 1.00 71.34 H new ATOM 0 HB2 CYS A 49 -2.446 3.910 2.424 1.00 15.41 H new ATOM 0 HB3 CYS A 49 -2.364 2.636 3.625 1.00 15.41 H new ATOM 767 N ASP A 50 -5.328 1.756 2.592 1.00 23.02 N ATOM 768 CA ASP A 50 -6.730 2.111 2.777 1.00 53.30 C ATOM 769 C ASP A 50 -7.002 2.518 4.221 1.00 32.43 C ATOM 770 O ASP A 50 -6.749 1.751 5.151 1.00 62.03 O ATOM 771 CB ASP A 50 -7.631 0.939 2.386 1.00 70.04 C ATOM 772 CG ASP A 50 -7.100 0.175 1.189 1.00 73.21 C ATOM 773 OD1 ASP A 50 -6.217 -0.687 1.379 1.00 31.25 O ATOM 774 OD2 ASP A 50 -7.568 0.438 0.062 1.00 53.23 O ATOM 0 H ASP A 50 -5.031 0.927 3.107 1.00 23.02 H new ATOM 0 HA ASP A 50 -6.952 2.961 2.131 1.00 53.30 H new ATOM 0 HB2 ASP A 50 -7.727 0.260 3.233 1.00 70.04 H new ATOM 0 HB3 ASP A 50 -8.630 1.312 2.161 1.00 70.04 H new ATOM 779 N TYR A 51 -7.519 3.728 4.403 1.00 4.52 N ATOM 780 CA TYR A 51 -7.823 4.238 5.735 1.00 65.02 C ATOM 781 C TYR A 51 -9.326 4.412 5.922 1.00 61.12 C ATOM 782 O TYR A 51 -9.953 5.248 5.270 1.00 4.03 O ATOM 783 CB TYR A 51 -7.110 5.572 5.968 1.00 51.25 C ATOM 784 CG TYR A 51 -7.380 6.174 7.328 1.00 33.43 C ATOM 785 CD1 TYR A 51 -7.229 5.419 8.486 1.00 53.35 C ATOM 786 CD2 TYR A 51 -7.786 7.496 7.456 1.00 1.22 C ATOM 787 CE1 TYR A 51 -7.476 5.965 9.731 1.00 62.14 C ATOM 788 CE2 TYR A 51 -8.033 8.050 8.697 1.00 32.42 C ATOM 789 CZ TYR A 51 -7.878 7.280 9.831 1.00 22.23 C ATOM 790 OH TYR A 51 -8.123 7.827 11.070 1.00 50.32 O ATOM 0 H TYR A 51 -7.736 4.374 3.645 1.00 4.52 H new ATOM 0 HA TYR A 51 -7.467 3.511 6.465 1.00 65.02 H new ATOM 0 HB2 TYR A 51 -6.036 5.425 5.852 1.00 51.25 H new ATOM 0 HB3 TYR A 51 -7.420 6.279 5.199 1.00 51.25 H new ATOM 0 HD1 TYR A 51 -6.913 4.389 8.411 1.00 53.35 H new ATOM 0 HD2 TYR A 51 -7.911 8.101 6.570 1.00 1.22 H new ATOM 0 HE1 TYR A 51 -7.355 5.365 10.621 1.00 62.14 H new ATOM 0 HE2 TYR A 51 -8.346 9.080 8.779 1.00 32.42 H new ATOM 0 HH TYR A 51 -8.396 8.762 10.966 1.00 50.32 H new ATOM 800 N CYS A 52 -9.900 3.617 6.819 1.00 23.53 N ATOM 801 CA CYS A 52 -11.330 3.681 7.095 1.00 75.10 C ATOM 802 C CYS A 52 -11.588 3.945 8.575 1.00 62.10 C ATOM 803 O CYS A 52 -10.923 3.377 9.441 1.00 21.21 O ATOM 804 CB CYS A 52 -12.011 2.378 6.672 1.00 34.23 C ATOM 805 SG CYS A 52 -13.820 2.505 6.502 1.00 50.33 S ATOM 0 H CYS A 52 -9.396 2.920 7.368 1.00 23.53 H new ATOM 0 HA CYS A 52 -11.749 4.506 6.519 1.00 75.10 H new ATOM 0 HB2 CYS A 52 -11.590 2.053 5.721 1.00 34.23 H new ATOM 0 HB3 CYS A 52 -11.779 1.605 7.405 1.00 34.23 H new ATOM 810 N GLU A 53 -12.556 4.811 8.857 1.00 42.34 N ATOM 811 CA GLU A 53 -12.900 5.151 10.232 1.00 31.31 C ATOM 812 C GLU A 53 -14.013 4.247 10.753 1.00 15.00 C ATOM 813 O GLU A 53 -15.188 4.452 10.448 1.00 14.53 O ATOM 814 CB GLU A 53 -13.331 6.616 10.327 1.00 44.05 C ATOM 815 CG GLU A 53 -13.016 7.258 11.668 1.00 61.13 C ATOM 816 CD GLU A 53 -13.491 6.421 12.841 1.00 41.34 C ATOM 817 OE1 GLU A 53 -14.678 6.034 12.851 1.00 25.53 O ATOM 818 OE2 GLU A 53 -12.674 6.155 13.747 1.00 75.12 O ATOM 0 H GLU A 53 -13.116 5.290 8.151 1.00 42.34 H new ATOM 0 HA GLU A 53 -12.014 5.001 10.849 1.00 31.31 H new ATOM 0 HB2 GLU A 53 -12.838 7.183 9.538 1.00 44.05 H new ATOM 0 HB3 GLU A 53 -14.404 6.683 10.145 1.00 44.05 H new ATOM 0 HG2 GLU A 53 -11.940 7.413 11.749 1.00 61.13 H new ATOM 0 HG3 GLU A 53 -13.484 8.241 11.715 1.00 61.13 H new ATOM 825 N TYR A 54 -13.636 3.246 11.541 1.00 40.52 N ATOM 826 CA TYR A 54 -14.601 2.309 12.103 1.00 44.02 C ATOM 827 C TYR A 54 -15.032 2.743 13.500 1.00 33.22 C ATOM 828 O TYR A 54 -16.209 2.661 13.851 1.00 63.14 O ATOM 829 CB TYR A 54 -14.005 0.901 12.155 1.00 41.24 C ATOM 830 CG TYR A 54 -15.044 -0.193 12.263 1.00 0.52 C ATOM 831 CD1 TYR A 54 -15.965 -0.406 11.244 1.00 12.25 C ATOM 832 CD2 TYR A 54 -15.105 -1.011 13.384 1.00 32.42 C ATOM 833 CE1 TYR A 54 -16.917 -1.403 11.340 1.00 25.31 C ATOM 834 CE2 TYR A 54 -16.052 -2.012 13.487 1.00 41.02 C ATOM 835 CZ TYR A 54 -16.955 -2.204 12.462 1.00 15.03 C ATOM 836 OH TYR A 54 -17.901 -3.199 12.561 1.00 11.21 O ATOM 0 H TYR A 54 -12.668 3.063 11.805 1.00 40.52 H new ATOM 0 HA TYR A 54 -15.480 2.301 11.458 1.00 44.02 H new ATOM 0 HB2 TYR A 54 -13.407 0.735 11.259 1.00 41.24 H new ATOM 0 HB3 TYR A 54 -13.328 0.833 13.007 1.00 41.24 H new ATOM 0 HD1 TYR A 54 -15.936 0.218 10.363 1.00 12.25 H new ATOM 0 HD2 TYR A 54 -14.400 -0.862 14.189 1.00 32.42 H new ATOM 0 HE1 TYR A 54 -17.627 -1.554 10.541 1.00 25.31 H new ATOM 0 HE2 TYR A 54 -16.085 -2.640 14.365 1.00 41.02 H new ATOM 0 HH TYR A 54 -17.791 -3.672 13.412 1.00 11.21 H new TER 846 TYR A 54