USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 472 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 39 ASN : amide:sc= 0.258! C(o=1!,f=-8.8!) USER MOD Set 1.2: A 42 THR OG1 : rot -165:sc= 0.742 USER MOD Single : A 2 GLN : amide:sc= 0.344 K(o=0.34,f=-4.6!) USER MOD Single : A 7 SER OG : rot -11:sc= 1.04 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot -123:sc= 1.25 USER MOD Single : A 11 THR OG1 : rot 111:sc= 1.27 USER MOD Single : A 13 ASN : amide:sc= -0.905 K(o=-0.9,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0577 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.538! X(o=-0.54!,f=-0.28) USER MOD Single : A 32 SER OG : rot -160:sc= 0 USER MOD Single : A 34 MET CE :methyl -162:sc= -0.112 (180deg=-0.549) USER MOD Single : A 35 SER OG : rot 59:sc= 1.31 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -130:sc= -1.05 USER MOD Single : A 45 MET CE :methyl 159:sc= -0.238 (180deg=-0.465) USER MOD Single : A 46 LYS NZ :NH3+ -120:sc= 0.916 (180deg=-0.112) USER MOD Single : A 52 HIS : no HE2:sc= 0.928 K(o=0.93,f=-5.2!) USER MOD Single : A 53 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.11) USER MOD Single : A 55 LYS NZ :NH3+ -174:sc= 0.598 (180deg=0.306) USER MOD Single : A 59 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.078) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -4.807 -16.626 4.261 1.00 0.00 N ATOM 2 CA PRO A 1 -4.942 -16.158 5.634 1.00 0.00 C ATOM 3 C PRO A 1 -3.621 -15.561 6.113 1.00 0.00 C ATOM 4 O PRO A 1 -3.311 -15.588 7.305 1.00 0.00 O ATOM 5 CB PRO A 1 -5.326 -17.343 6.505 1.00 0.00 C ATOM 6 CG PRO A 1 -5.463 -18.487 5.547 1.00 0.00 C ATOM 7 CD PRO A 1 -5.488 -17.906 4.142 1.00 0.00 C ATOM 0 H2 PRO A 1 -3.822 -16.724 4.015 1.00 0.00 H new ATOM 0 H3 PRO A 1 -5.210 -15.948 3.614 1.00 0.00 H new ATOM 0 HA PRO A 1 -5.709 -15.386 5.695 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -4.564 -17.545 7.258 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -6.259 -17.158 7.038 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -4.632 -19.183 5.659 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -6.377 -19.047 5.747 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -4.980 -18.561 3.433 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -6.510 -17.780 3.784 1.00 0.00 H new ATOM 17 N GLN A 2 -2.870 -14.982 5.176 1.00 0.00 N ATOM 18 CA GLN A 2 -1.573 -14.394 5.447 1.00 0.00 C ATOM 19 C GLN A 2 -1.691 -13.250 6.435 1.00 0.00 C ATOM 20 O GLN A 2 -2.330 -12.228 6.142 1.00 0.00 O ATOM 21 CB GLN A 2 -0.899 -13.902 4.148 1.00 0.00 C ATOM 22 CG GLN A 2 -0.327 -14.993 3.220 1.00 0.00 C ATOM 23 CD GLN A 2 -1.343 -16.012 2.703 1.00 0.00 C ATOM 24 OE1 GLN A 2 -2.530 -15.721 2.538 1.00 0.00 O ATOM 25 NE2 GLN A 2 -0.884 -17.191 2.431 1.00 0.00 N ATOM 0 H GLN A 2 -3.155 -14.911 4.199 1.00 0.00 H new ATOM 0 HA GLN A 2 -0.948 -15.172 5.886 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.628 -13.320 3.584 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -0.090 -13.224 4.418 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.144 -14.508 2.365 1.00 0.00 H new ATOM 0 HG3 GLN A 2 0.458 -15.527 3.756 1.00 0.00 H new ATOM 0 HE21 GLN A 2 0.103 -17.400 2.578 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -1.510 -17.911 2.069 1.00 0.00 H new ATOM 34 N PHE A 3 -1.120 -13.465 7.622 1.00 0.00 N ATOM 35 CA PHE A 3 -1.103 -12.496 8.730 1.00 0.00 C ATOM 36 C PHE A 3 -2.542 -12.245 9.242 1.00 0.00 C ATOM 37 O PHE A 3 -2.858 -11.206 9.835 1.00 0.00 O ATOM 38 CB PHE A 3 -0.387 -11.179 8.301 1.00 0.00 C ATOM 39 CG PHE A 3 -0.018 -10.262 9.448 1.00 0.00 C ATOM 40 CD1 PHE A 3 0.966 -10.631 10.348 1.00 0.00 C ATOM 41 CD2 PHE A 3 -0.641 -9.039 9.612 1.00 0.00 C ATOM 42 CE1 PHE A 3 1.321 -9.802 11.391 1.00 0.00 C ATOM 43 CE2 PHE A 3 -0.293 -8.204 10.655 1.00 0.00 C ATOM 44 CZ PHE A 3 0.691 -8.588 11.546 1.00 0.00 C ATOM 0 H PHE A 3 -0.644 -14.338 7.849 1.00 0.00 H new ATOM 0 HA PHE A 3 -0.530 -12.911 9.559 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.519 -11.435 7.752 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -1.035 -10.636 7.612 1.00 0.00 H new ATOM 0 HD1 PHE A 3 1.463 -11.583 10.232 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -1.409 -8.733 8.916 1.00 0.00 H new ATOM 0 HE1 PHE A 3 2.092 -10.104 12.085 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -0.789 -7.252 10.774 1.00 0.00 H new ATOM 0 HZ PHE A 3 0.965 -7.937 12.363 1.00 0.00 H new ATOM 54 N GLY A 4 -3.384 -13.248 9.086 1.00 0.00 N ATOM 55 CA GLY A 4 -4.764 -13.150 9.500 1.00 0.00 C ATOM 56 C GLY A 4 -4.934 -13.411 10.982 1.00 0.00 C ATOM 57 O GLY A 4 -5.695 -14.270 11.384 1.00 0.00 O ATOM 0 H GLY A 4 -3.131 -14.145 8.672 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.144 -12.157 9.261 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.363 -13.865 8.935 1.00 0.00 H new ATOM 61 N LEU A 5 -4.219 -12.667 11.789 1.00 0.00 N ATOM 62 CA LEU A 5 -4.286 -12.810 13.248 1.00 0.00 C ATOM 63 C LEU A 5 -5.337 -11.874 13.845 1.00 0.00 C ATOM 64 O LEU A 5 -5.674 -11.968 15.027 1.00 0.00 O ATOM 65 CB LEU A 5 -2.866 -12.656 13.923 1.00 0.00 C ATOM 66 CG LEU A 5 -1.979 -11.521 13.392 1.00 0.00 C ATOM 67 CD1 LEU A 5 -2.524 -10.133 13.717 1.00 0.00 C ATOM 68 CD2 LEU A 5 -0.555 -11.684 13.878 1.00 0.00 C ATOM 0 H LEU A 5 -3.573 -11.945 11.469 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.610 -13.827 13.470 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.010 -12.505 14.993 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.327 -13.596 13.804 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.986 -11.598 12.305 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.852 -9.375 13.315 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.512 -10.016 13.271 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.598 -10.015 14.798 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.057 -10.870 13.491 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.538 -11.664 14.968 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.157 -12.636 13.526 1.00 0.00 H new ATOM 80 N PHE A 6 -5.828 -10.979 12.993 1.00 0.00 N ATOM 81 CA PHE A 6 -6.887 -10.013 13.304 1.00 0.00 C ATOM 82 C PHE A 6 -6.534 -9.052 14.434 1.00 0.00 C ATOM 83 O PHE A 6 -6.712 -9.343 15.614 1.00 0.00 O ATOM 84 CB PHE A 6 -8.254 -10.685 13.529 1.00 0.00 C ATOM 85 CG PHE A 6 -8.787 -11.384 12.305 1.00 0.00 C ATOM 86 CD1 PHE A 6 -9.373 -10.659 11.280 1.00 0.00 C ATOM 87 CD2 PHE A 6 -8.695 -12.760 12.175 1.00 0.00 C ATOM 88 CE1 PHE A 6 -9.859 -11.294 10.152 1.00 0.00 C ATOM 89 CE2 PHE A 6 -9.178 -13.398 11.050 1.00 0.00 C ATOM 90 CZ PHE A 6 -9.761 -12.666 10.038 1.00 0.00 C ATOM 0 H PHE A 6 -5.491 -10.900 12.034 1.00 0.00 H new ATOM 0 HA PHE A 6 -6.974 -9.397 12.409 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -8.166 -11.407 14.341 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -8.973 -9.931 13.849 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -9.451 -9.585 11.363 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -8.240 -13.341 12.963 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -10.315 -10.717 9.361 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -9.099 -14.472 10.963 1.00 0.00 H new ATOM 0 HZ PHE A 6 -10.140 -13.165 9.158 1.00 0.00 H new ATOM 100 N SER A 7 -5.985 -7.938 14.046 1.00 0.00 N ATOM 101 CA SER A 7 -5.636 -6.815 14.905 1.00 0.00 C ATOM 102 C SER A 7 -5.445 -5.658 13.938 1.00 0.00 C ATOM 103 O SER A 7 -6.099 -4.606 14.018 1.00 0.00 O ATOM 104 CB SER A 7 -4.337 -7.097 15.710 1.00 0.00 C ATOM 105 OG SER A 7 -4.462 -8.265 16.526 1.00 0.00 O ATOM 0 H SER A 7 -5.751 -7.767 13.068 1.00 0.00 H new ATOM 0 HA SER A 7 -6.401 -6.612 15.655 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.502 -7.223 15.021 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.105 -6.237 16.339 1.00 0.00 H new ATOM 0 HG SER A 7 -5.400 -8.546 16.554 1.00 0.00 H new ATOM 111 N LYS A 8 -4.593 -5.920 12.984 1.00 0.00 N ATOM 112 CA LYS A 8 -4.399 -5.108 11.838 1.00 0.00 C ATOM 113 C LYS A 8 -3.978 -6.075 10.765 1.00 0.00 C ATOM 114 O LYS A 8 -3.674 -7.237 11.086 1.00 0.00 O ATOM 115 CB LYS A 8 -3.354 -3.957 12.020 1.00 0.00 C ATOM 116 CG LYS A 8 -1.857 -4.333 12.028 1.00 0.00 C ATOM 117 CD LYS A 8 -1.409 -5.093 13.263 1.00 0.00 C ATOM 118 CE LYS A 8 0.096 -5.318 13.217 1.00 0.00 C ATOM 119 NZ LYS A 8 0.604 -6.014 14.416 1.00 0.00 N ATOM 0 H LYS A 8 -3.994 -6.745 12.996 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.314 -4.566 11.599 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.512 -3.233 11.221 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.576 -3.450 12.959 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.642 -4.937 11.146 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.265 -3.422 11.942 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.674 -4.534 14.160 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.927 -6.050 13.319 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.345 -5.901 12.330 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.600 -4.357 13.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.633 -6.142 14.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.392 -5.448 15.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.145 -6.944 14.498 1.00 0.00 H new ATOM 133 N TYR A 9 -3.993 -5.658 9.547 1.00 0.00 N ATOM 134 CA TYR A 9 -3.631 -6.501 8.455 1.00 0.00 C ATOM 135 C TYR A 9 -2.170 -6.175 8.075 1.00 0.00 C ATOM 136 O TYR A 9 -1.438 -5.599 8.878 1.00 0.00 O ATOM 137 CB TYR A 9 -4.586 -6.185 7.313 1.00 0.00 C ATOM 138 CG TYR A 9 -4.830 -7.308 6.360 1.00 0.00 C ATOM 139 CD1 TYR A 9 -4.031 -8.424 6.359 1.00 0.00 C ATOM 140 CD2 TYR A 9 -5.885 -7.252 5.491 1.00 0.00 C ATOM 141 CE1 TYR A 9 -4.261 -9.461 5.516 1.00 0.00 C ATOM 142 CE2 TYR A 9 -6.149 -8.296 4.626 1.00 0.00 C ATOM 143 CZ TYR A 9 -5.326 -9.406 4.640 1.00 0.00 C ATOM 144 OH TYR A 9 -5.569 -10.466 3.779 1.00 0.00 O ATOM 0 H TYR A 9 -4.260 -4.712 9.275 1.00 0.00 H new ATOM 0 HA TYR A 9 -3.699 -7.562 8.697 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.541 -5.874 7.735 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.192 -5.335 6.755 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.199 -8.478 7.046 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.521 -6.379 5.481 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.614 -10.326 5.530 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.988 -8.245 3.948 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.572 -10.142 2.854 1.00 0.00 H new ATOM 154 N ARG A 10 -1.772 -6.491 6.870 1.00 0.00 N ATOM 155 CA ARG A 10 -0.443 -6.299 6.449 1.00 0.00 C ATOM 156 C ARG A 10 -0.408 -5.108 5.529 1.00 0.00 C ATOM 157 O ARG A 10 -1.279 -4.934 4.645 1.00 0.00 O ATOM 158 CB ARG A 10 0.159 -7.537 5.751 1.00 0.00 C ATOM 159 CG ARG A 10 -0.462 -7.889 4.404 1.00 0.00 C ATOM 160 CD ARG A 10 0.419 -8.830 3.621 1.00 0.00 C ATOM 161 NE ARG A 10 1.808 -8.333 3.465 1.00 0.00 N ATOM 162 CZ ARG A 10 2.233 -7.282 2.719 1.00 0.00 C ATOM 163 NH1 ARG A 10 1.367 -6.344 2.266 1.00 0.00 N ATOM 164 NH2 ARG A 10 3.536 -7.129 2.498 1.00 0.00 N ATOM 0 H ARG A 10 -2.383 -6.893 6.158 1.00 0.00 H new ATOM 0 HA ARG A 10 0.171 -6.129 7.333 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.227 -7.370 5.608 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.056 -8.395 6.416 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.438 -8.348 4.560 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.626 -6.978 3.828 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.440 -9.799 4.121 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.016 -8.989 2.635 1.00 0.00 H new ATOM 0 HE ARG A 10 2.528 -8.841 3.979 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.373 -6.419 2.484 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.708 -5.562 1.707 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.201 -7.797 2.887 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.870 -6.344 1.939 1.00 0.00 H new ATOM 178 N THR A 11 0.540 -4.316 5.726 1.00 0.00 N ATOM 179 CA THR A 11 0.680 -3.085 4.993 1.00 0.00 C ATOM 180 C THR A 11 1.912 -3.076 4.080 1.00 0.00 C ATOM 181 O THR A 11 2.983 -3.564 4.444 1.00 0.00 O ATOM 182 CB THR A 11 0.664 -1.842 5.951 1.00 0.00 C ATOM 183 OG1 THR A 11 0.889 -0.624 5.233 1.00 0.00 O ATOM 184 CG2 THR A 11 1.707 -1.968 7.058 1.00 0.00 C ATOM 0 H THR A 11 1.278 -4.478 6.412 1.00 0.00 H new ATOM 0 HA THR A 11 -0.189 -3.014 4.339 1.00 0.00 H new ATOM 0 HB THR A 11 -0.328 -1.814 6.402 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.067 -0.090 5.229 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.664 -1.088 7.700 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.503 -2.860 7.651 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.700 -2.046 6.615 1.00 0.00 H new ATOM 192 N PRO A 12 1.742 -2.572 2.850 1.00 0.00 N ATOM 193 CA PRO A 12 2.828 -2.401 1.908 1.00 0.00 C ATOM 194 C PRO A 12 3.569 -1.081 2.165 1.00 0.00 C ATOM 195 O PRO A 12 2.962 -0.003 2.254 1.00 0.00 O ATOM 196 CB PRO A 12 2.106 -2.352 0.567 1.00 0.00 C ATOM 197 CG PRO A 12 0.799 -1.722 0.875 1.00 0.00 C ATOM 198 CD PRO A 12 0.452 -2.119 2.283 1.00 0.00 C ATOM 0 HA PRO A 12 3.581 -3.187 1.971 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.666 -1.769 -0.165 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.977 -3.350 0.148 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.860 -0.638 0.782 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.032 -2.059 0.177 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.040 -1.281 2.845 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.294 -2.913 2.302 1.00 0.00 H new ATOM 206 N ASN A 13 4.853 -1.160 2.292 1.00 0.00 N ATOM 207 CA ASN A 13 5.641 0.017 2.548 1.00 0.00 C ATOM 208 C ASN A 13 6.062 0.639 1.248 1.00 0.00 C ATOM 209 O ASN A 13 7.052 0.235 0.646 1.00 0.00 O ATOM 210 CB ASN A 13 6.894 -0.246 3.421 1.00 0.00 C ATOM 211 CG ASN A 13 6.638 -0.712 4.885 1.00 0.00 C ATOM 212 OD1 ASN A 13 7.418 -0.363 5.773 1.00 0.00 O ATOM 213 ND2 ASN A 13 5.602 -1.519 5.165 1.00 0.00 N ATOM 0 H ASN A 13 5.387 -2.026 2.224 1.00 0.00 H new ATOM 0 HA ASN A 13 5.002 0.694 3.115 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.503 -1.002 2.924 1.00 0.00 H new ATOM 0 HB3 ASN A 13 7.485 0.669 3.453 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.455 -1.848 6.119 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.962 -1.803 4.424 1.00 0.00 H new ATOM 220 N CYS A 14 5.298 1.610 0.802 1.00 0.00 N ATOM 221 CA CYS A 14 5.632 2.373 -0.375 1.00 0.00 C ATOM 222 C CYS A 14 6.705 3.423 -0.042 1.00 0.00 C ATOM 223 O CYS A 14 7.034 4.293 -0.859 1.00 0.00 O ATOM 224 CB CYS A 14 4.361 3.010 -0.946 1.00 0.00 C ATOM 225 SG CYS A 14 3.374 4.005 0.238 1.00 0.00 S ATOM 0 H CYS A 14 4.425 1.892 1.248 1.00 0.00 H new ATOM 0 HA CYS A 14 6.051 1.716 -1.137 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.641 3.648 -1.785 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.727 2.218 -1.345 1.00 0.00 H new ATOM 230 N SER A 15 7.216 3.337 1.193 1.00 0.00 N ATOM 231 CA SER A 15 8.304 4.130 1.689 1.00 0.00 C ATOM 232 C SER A 15 9.518 3.901 0.790 1.00 0.00 C ATOM 233 O SER A 15 10.286 4.816 0.498 1.00 0.00 O ATOM 234 CB SER A 15 8.604 3.634 3.091 1.00 0.00 C ATOM 235 OG SER A 15 7.383 3.391 3.788 1.00 0.00 O ATOM 0 H SER A 15 6.855 2.682 1.887 1.00 0.00 H new ATOM 0 HA SER A 15 8.062 5.193 1.699 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.195 2.720 3.045 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.200 4.372 3.628 1.00 0.00 H new ATOM 0 HG SER A 15 7.581 3.069 4.692 1.00 0.00 H new ATOM 241 N GLN A 16 9.657 2.669 0.352 1.00 0.00 N ATOM 242 CA GLN A 16 10.663 2.289 -0.579 1.00 0.00 C ATOM 243 C GLN A 16 10.026 2.170 -1.922 1.00 0.00 C ATOM 244 O GLN A 16 9.365 1.187 -2.163 1.00 0.00 O ATOM 245 CB GLN A 16 11.295 0.954 -0.195 1.00 0.00 C ATOM 246 CG GLN A 16 12.303 0.398 -1.287 1.00 0.00 C ATOM 247 CD GLN A 16 13.007 -0.896 -0.862 1.00 0.00 C ATOM 248 OE1 GLN A 16 12.499 -1.986 -1.123 1.00 0.00 O ATOM 249 NE2 GLN A 16 14.181 -0.814 -0.236 1.00 0.00 N ATOM 0 H GLN A 16 9.056 1.899 0.646 1.00 0.00 H new ATOM 0 HA GLN A 16 11.452 3.042 -0.585 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.823 1.069 0.751 1.00 0.00 H new ATOM 0 HB3 GLN A 16 10.506 0.220 -0.032 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.760 0.220 -2.215 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.054 1.159 -1.499 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.586 0.099 -0.029 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.675 -1.664 0.035 1.00 0.00 H new ATOM 258 N TYR A 17 10.160 3.248 -2.698 1.00 0.00 N ATOM 259 CA TYR A 17 9.754 3.466 -4.119 1.00 0.00 C ATOM 260 C TYR A 17 9.785 4.941 -4.348 1.00 0.00 C ATOM 261 O TYR A 17 9.409 5.692 -3.452 1.00 0.00 O ATOM 262 CB TYR A 17 8.337 2.946 -4.543 1.00 0.00 C ATOM 263 CG TYR A 17 8.242 1.454 -4.668 1.00 0.00 C ATOM 264 CD1 TYR A 17 9.350 0.723 -5.063 1.00 0.00 C ATOM 265 CD2 TYR A 17 7.093 0.770 -4.309 1.00 0.00 C ATOM 266 CE1 TYR A 17 9.327 -0.624 -5.112 1.00 0.00 C ATOM 267 CE2 TYR A 17 7.052 -0.607 -4.351 1.00 0.00 C ATOM 268 CZ TYR A 17 8.178 -1.306 -4.749 1.00 0.00 C ATOM 269 OH TYR A 17 8.149 -2.687 -4.801 1.00 0.00 O ATOM 0 H TYR A 17 10.600 4.088 -2.322 1.00 0.00 H new ATOM 0 HA TYR A 17 10.452 2.884 -4.721 1.00 0.00 H new ATOM 0 HB2 TYR A 17 7.604 3.286 -3.811 1.00 0.00 H new ATOM 0 HB3 TYR A 17 8.067 3.397 -5.498 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.255 1.245 -5.338 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.220 1.321 -3.993 1.00 0.00 H new ATOM 0 HE1 TYR A 17 10.202 -1.169 -5.433 1.00 0.00 H new ATOM 0 HE2 TYR A 17 6.151 -1.135 -4.076 1.00 0.00 H new ATOM 0 HH TYR A 17 7.269 -3.007 -4.513 1.00 0.00 H new ATOM 279 N ARG A 18 10.291 5.369 -5.475 1.00 0.00 N ATOM 280 CA ARG A 18 10.301 6.762 -5.833 1.00 0.00 C ATOM 281 C ARG A 18 9.730 6.969 -7.202 1.00 0.00 C ATOM 282 O ARG A 18 10.274 6.470 -8.202 1.00 0.00 O ATOM 283 CB ARG A 18 11.703 7.371 -5.767 1.00 0.00 C ATOM 284 CG ARG A 18 11.955 8.187 -4.527 1.00 0.00 C ATOM 285 CD ARG A 18 11.955 7.351 -3.285 1.00 0.00 C ATOM 286 NE ARG A 18 11.989 8.166 -2.073 1.00 0.00 N ATOM 287 CZ ARG A 18 11.153 7.997 -1.044 1.00 0.00 C ATOM 288 NH1 ARG A 18 10.133 7.166 -1.148 1.00 0.00 N ATOM 289 NH2 ARG A 18 11.303 8.706 0.065 1.00 0.00 N ATOM 0 H ARG A 18 10.710 4.756 -6.174 1.00 0.00 H new ATOM 0 HA ARG A 18 9.678 7.272 -5.099 1.00 0.00 H new ATOM 0 HB2 ARG A 18 12.440 6.569 -5.819 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.856 8.002 -6.643 1.00 0.00 H new ATOM 0 HG2 ARG A 18 12.914 8.696 -4.619 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.191 8.960 -4.442 1.00 0.00 H new ATOM 0 HD2 ARG A 18 11.066 6.721 -3.273 1.00 0.00 H new ATOM 0 HD3 ARG A 18 12.817 6.685 -3.297 1.00 0.00 H new ATOM 0 HE ARG A 18 12.689 8.905 -2.009 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.981 6.651 -2.015 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.496 7.039 -0.361 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.060 9.386 0.137 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.661 8.572 0.847 1.00 0.00 H new ATOM 303 N LEU A 19 8.637 7.663 -7.254 1.00 0.00 N ATOM 304 CA LEU A 19 8.022 8.022 -8.489 1.00 0.00 C ATOM 305 C LEU A 19 8.509 9.359 -8.942 1.00 0.00 C ATOM 306 O LEU A 19 8.667 10.283 -8.129 1.00 0.00 O ATOM 307 CB LEU A 19 6.485 8.049 -8.403 1.00 0.00 C ATOM 308 CG LEU A 19 5.776 6.706 -8.547 1.00 0.00 C ATOM 309 CD1 LEU A 19 6.093 5.743 -7.406 1.00 0.00 C ATOM 310 CD2 LEU A 19 4.287 6.898 -8.716 1.00 0.00 C ATOM 0 H LEU A 19 8.142 8.000 -6.428 1.00 0.00 H new ATOM 0 HA LEU A 19 8.302 7.253 -9.209 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.204 8.483 -7.444 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.111 8.718 -9.178 1.00 0.00 H new ATOM 0 HG LEU A 19 6.164 6.239 -9.452 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.560 4.805 -7.563 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.166 5.551 -7.379 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.780 6.184 -6.460 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.804 5.926 -8.817 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.885 7.414 -7.844 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.096 7.492 -9.609 1.00 0.00 H new ATOM 322 N PRO A 20 8.771 9.500 -10.237 1.00 0.00 N ATOM 323 CA PRO A 20 9.129 10.777 -10.813 1.00 0.00 C ATOM 324 C PRO A 20 7.887 11.669 -10.998 1.00 0.00 C ATOM 325 O PRO A 20 7.990 12.817 -11.434 1.00 0.00 O ATOM 326 CB PRO A 20 9.773 10.422 -12.150 1.00 0.00 C ATOM 327 CG PRO A 20 9.263 9.064 -12.506 1.00 0.00 C ATOM 328 CD PRO A 20 8.792 8.405 -11.232 1.00 0.00 C ATOM 0 HA PRO A 20 9.803 11.349 -10.175 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.509 11.151 -12.916 1.00 0.00 H new ATOM 0 HB3 PRO A 20 10.860 10.422 -12.071 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.446 9.138 -13.224 1.00 0.00 H new ATOM 0 HG3 PRO A 20 10.048 8.471 -12.976 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.804 7.962 -11.356 1.00 0.00 H new ATOM 0 HD3 PRO A 20 9.465 7.604 -10.927 1.00 0.00 H new ATOM 336 N GLY A 21 6.729 11.125 -10.650 1.00 0.00 N ATOM 337 CA GLY A 21 5.493 11.863 -10.692 1.00 0.00 C ATOM 338 C GLY A 21 4.391 11.094 -9.998 1.00 0.00 C ATOM 339 O GLY A 21 4.439 10.864 -8.782 1.00 0.00 O ATOM 0 H GLY A 21 6.629 10.161 -10.332 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.625 12.833 -10.212 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.213 12.056 -11.728 1.00 0.00 H new ATOM 343 N CYS A 22 3.462 10.650 -10.768 1.00 0.00 N ATOM 344 CA CYS A 22 2.325 9.879 -10.318 1.00 0.00 C ATOM 345 C CYS A 22 2.197 8.662 -11.227 1.00 0.00 C ATOM 346 O CYS A 22 2.861 8.626 -12.270 1.00 0.00 O ATOM 347 CB CYS A 22 1.050 10.752 -10.269 1.00 0.00 C ATOM 348 SG CYS A 22 0.972 11.869 -8.813 1.00 0.00 S ATOM 0 H CYS A 22 3.460 10.814 -11.775 1.00 0.00 H new ATOM 0 HA CYS A 22 2.468 9.529 -9.296 1.00 0.00 H new ATOM 0 HB2 CYS A 22 0.996 11.351 -11.178 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.175 10.101 -10.263 1.00 0.00 H new ATOM 353 N PRO A 23 1.405 7.633 -10.881 1.00 0.00 N ATOM 354 CA PRO A 23 1.418 6.398 -11.629 1.00 0.00 C ATOM 355 C PRO A 23 0.587 6.418 -12.887 1.00 0.00 C ATOM 356 O PRO A 23 -0.395 7.156 -13.027 1.00 0.00 O ATOM 357 CB PRO A 23 0.807 5.424 -10.649 1.00 0.00 C ATOM 358 CG PRO A 23 -0.255 6.237 -10.037 1.00 0.00 C ATOM 359 CD PRO A 23 0.400 7.564 -9.781 1.00 0.00 C ATOM 0 HA PRO A 23 2.425 6.164 -11.976 1.00 0.00 H new ATOM 0 HB2 PRO A 23 0.409 4.539 -11.146 1.00 0.00 H new ATOM 0 HB3 PRO A 23 1.532 5.077 -9.912 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.113 6.338 -10.702 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.619 5.787 -9.113 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.313 8.387 -9.828 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.868 7.605 -8.798 1.00 0.00 H new ATOM 367 N ARG A 24 1.021 5.634 -13.791 1.00 0.00 N ATOM 368 CA ARG A 24 0.309 5.323 -14.945 1.00 0.00 C ATOM 369 C ARG A 24 -0.387 3.978 -14.673 1.00 0.00 C ATOM 370 O ARG A 24 -0.750 3.703 -13.522 1.00 0.00 O ATOM 371 CB ARG A 24 1.258 5.297 -16.152 1.00 0.00 C ATOM 372 CG ARG A 24 1.640 6.695 -16.671 1.00 0.00 C ATOM 373 CD ARG A 24 2.479 7.539 -15.703 1.00 0.00 C ATOM 374 NE ARG A 24 2.628 8.929 -16.185 1.00 0.00 N ATOM 375 CZ ARG A 24 3.496 9.840 -15.706 1.00 0.00 C ATOM 376 NH1 ARG A 24 4.360 9.513 -14.758 1.00 0.00 N ATOM 377 NH2 ARG A 24 3.482 11.080 -16.179 1.00 0.00 N ATOM 0 H ARG A 24 1.929 5.172 -13.736 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.447 6.068 -15.191 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.166 4.761 -15.877 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.789 4.735 -16.960 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.193 6.581 -17.603 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.726 7.241 -16.907 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.008 7.542 -14.720 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.464 7.087 -15.584 1.00 0.00 H new ATOM 0 HE ARG A 24 2.019 9.224 -16.948 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.372 8.564 -14.384 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.014 10.210 -14.401 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.814 11.342 -16.904 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.139 11.771 -15.817 1.00 0.00 H new ATOM 391 N HIS A 25 -0.565 3.138 -15.662 1.00 0.00 N ATOM 392 CA HIS A 25 -1.317 1.908 -15.446 1.00 0.00 C ATOM 393 C HIS A 25 -0.558 0.802 -14.718 1.00 0.00 C ATOM 394 O HIS A 25 0.038 -0.102 -15.337 1.00 0.00 O ATOM 395 CB HIS A 25 -2.026 1.389 -16.701 1.00 0.00 C ATOM 396 CG HIS A 25 -3.161 2.261 -17.133 1.00 0.00 C ATOM 397 ND1 HIS A 25 -4.474 2.008 -16.816 1.00 0.00 N ATOM 398 CD2 HIS A 25 -3.166 3.405 -17.840 1.00 0.00 C ATOM 399 CE1 HIS A 25 -5.231 2.966 -17.307 1.00 0.00 C ATOM 400 NE2 HIS A 25 -4.461 3.827 -17.933 1.00 0.00 N ATOM 0 H HIS A 25 -0.211 3.270 -16.609 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.097 2.219 -14.751 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.304 1.312 -17.514 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.400 0.383 -16.511 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -2.302 3.900 -18.258 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -6.305 3.033 -17.211 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -4.778 4.671 -18.410 1.00 0.00 H new ATOM 409 N PHE A 26 -0.536 0.917 -13.410 1.00 0.00 N ATOM 410 CA PHE A 26 -0.050 -0.116 -12.533 1.00 0.00 C ATOM 411 C PHE A 26 -0.683 0.067 -11.172 1.00 0.00 C ATOM 412 O PHE A 26 -0.559 1.122 -10.546 1.00 0.00 O ATOM 413 CB PHE A 26 1.513 -0.199 -12.436 1.00 0.00 C ATOM 414 CG PHE A 26 2.235 0.910 -11.688 1.00 0.00 C ATOM 415 CD1 PHE A 26 2.626 2.068 -12.333 1.00 0.00 C ATOM 416 CD2 PHE A 26 2.539 0.764 -10.334 1.00 0.00 C ATOM 417 CE1 PHE A 26 3.300 3.063 -11.647 1.00 0.00 C ATOM 418 CE2 PHE A 26 3.209 1.745 -9.647 1.00 0.00 C ATOM 419 CZ PHE A 26 3.592 2.900 -10.300 1.00 0.00 C ATOM 0 H PHE A 26 -0.863 1.749 -12.919 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.343 -1.074 -12.963 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.770 -1.146 -11.961 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.911 -0.233 -13.450 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.404 2.198 -13.382 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.242 -0.137 -9.818 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.599 3.966 -12.159 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.436 1.614 -8.599 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.118 3.675 -9.763 1.00 0.00 H new ATOM 429 N ASN A 27 -1.417 -0.911 -10.749 1.00 0.00 N ATOM 430 CA ASN A 27 -2.047 -0.936 -9.450 1.00 0.00 C ATOM 431 C ASN A 27 -1.783 -2.351 -8.898 1.00 0.00 C ATOM 432 O ASN A 27 -2.599 -3.255 -9.057 1.00 0.00 O ATOM 433 CB ASN A 27 -3.652 -0.598 -9.540 1.00 0.00 C ATOM 434 CG ASN A 27 -4.034 0.899 -9.678 1.00 0.00 C ATOM 435 OD1 ASN A 27 -5.150 1.283 -9.360 1.00 0.00 O ATOM 436 ND2 ASN A 27 -3.135 1.751 -10.094 1.00 0.00 N ATOM 0 H ASN A 27 -1.606 -1.743 -11.307 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.639 -0.169 -8.792 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.068 -1.137 -10.392 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.135 -0.993 -8.646 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.363 2.743 -10.155 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.206 1.424 -10.358 1.00 0.00 H new ATOM 443 N PRO A 28 -0.560 -2.559 -8.365 1.00 0.00 N ATOM 444 CA PRO A 28 -0.112 -3.846 -7.805 1.00 0.00 C ATOM 445 C PRO A 28 -0.935 -4.452 -6.688 1.00 0.00 C ATOM 446 O PRO A 28 -1.325 -5.585 -6.783 1.00 0.00 O ATOM 447 CB PRO A 28 1.309 -3.580 -7.309 1.00 0.00 C ATOM 448 CG PRO A 28 1.772 -2.413 -8.111 1.00 0.00 C ATOM 449 CD PRO A 28 0.541 -1.588 -8.418 1.00 0.00 C ATOM 0 HA PRO A 28 -0.207 -4.593 -8.593 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.322 -3.358 -6.242 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.952 -4.447 -7.462 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.504 -1.826 -7.556 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.258 -2.742 -9.030 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.404 -0.789 -7.689 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.611 -1.117 -9.398 1.00 0.00 H new ATOM 457 N VAL A 29 -1.237 -3.690 -5.686 1.00 0.00 N ATOM 458 CA VAL A 29 -1.781 -4.243 -4.459 1.00 0.00 C ATOM 459 C VAL A 29 -3.269 -4.011 -4.314 1.00 0.00 C ATOM 460 O VAL A 29 -3.845 -3.094 -4.907 1.00 0.00 O ATOM 461 CB VAL A 29 -1.035 -3.705 -3.213 1.00 0.00 C ATOM 462 CG1 VAL A 29 0.451 -4.064 -3.274 1.00 0.00 C ATOM 463 CG2 VAL A 29 -1.240 -2.189 -3.034 1.00 0.00 C ATOM 0 H VAL A 29 -1.120 -2.677 -5.681 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.626 -5.320 -4.526 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.464 -4.189 -2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.956 -3.676 -2.389 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.562 -5.148 -3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.895 -3.624 -4.167 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.701 -1.851 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.862 -1.665 -3.912 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.302 -1.977 -2.914 1.00 0.00 H new ATOM 473 N CYS A 30 -3.867 -4.812 -3.487 1.00 0.00 N ATOM 474 CA CYS A 30 -5.274 -4.833 -3.321 1.00 0.00 C ATOM 475 C CYS A 30 -5.672 -4.105 -2.076 1.00 0.00 C ATOM 476 O CYS A 30 -5.256 -4.441 -0.993 1.00 0.00 O ATOM 477 CB CYS A 30 -5.797 -6.285 -3.306 1.00 0.00 C ATOM 478 SG CYS A 30 -5.450 -7.220 -4.831 1.00 0.00 S ATOM 0 H CYS A 30 -3.372 -5.482 -2.898 1.00 0.00 H new ATOM 0 HA CYS A 30 -5.728 -4.319 -4.168 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.352 -6.811 -2.462 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.874 -6.270 -3.140 1.00 0.00 H new ATOM 483 N GLY A 31 -6.482 -3.147 -2.264 1.00 0.00 N ATOM 484 CA GLY A 31 -6.988 -2.299 -1.216 1.00 0.00 C ATOM 485 C GLY A 31 -7.831 -2.973 -0.157 1.00 0.00 C ATOM 486 O GLY A 31 -8.920 -3.459 -0.437 1.00 0.00 O ATOM 0 H GLY A 31 -6.841 -2.903 -3.187 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.141 -1.819 -0.725 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.582 -1.507 -1.673 1.00 0.00 H new ATOM 490 N SER A 32 -7.336 -2.982 1.083 1.00 0.00 N ATOM 491 CA SER A 32 -8.106 -3.534 2.187 1.00 0.00 C ATOM 492 C SER A 32 -9.081 -2.477 2.644 1.00 0.00 C ATOM 493 O SER A 32 -10.154 -2.783 3.167 1.00 0.00 O ATOM 494 CB SER A 32 -7.200 -3.955 3.336 1.00 0.00 C ATOM 495 OG SER A 32 -7.917 -4.558 4.401 1.00 0.00 O ATOM 0 H SER A 32 -6.419 -2.618 1.340 1.00 0.00 H new ATOM 0 HA SER A 32 -8.637 -4.426 1.855 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.450 -4.654 2.966 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.665 -3.082 3.711 1.00 0.00 H new ATOM 0 HG SER A 32 -7.379 -4.522 5.219 1.00 0.00 H new ATOM 501 N ASP A 33 -8.714 -1.218 2.418 1.00 0.00 N ATOM 502 CA ASP A 33 -9.593 -0.103 2.705 1.00 0.00 C ATOM 503 C ASP A 33 -10.436 0.223 1.459 1.00 0.00 C ATOM 504 O ASP A 33 -11.013 1.313 1.335 1.00 0.00 O ATOM 505 CB ASP A 33 -8.782 1.110 3.198 1.00 0.00 C ATOM 506 CG ASP A 33 -8.174 0.894 4.582 1.00 0.00 C ATOM 507 OD1 ASP A 33 -7.120 0.242 4.709 1.00 0.00 O ATOM 508 OD2 ASP A 33 -8.766 1.348 5.586 1.00 0.00 O ATOM 0 H ASP A 33 -7.807 -0.950 2.035 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.278 -0.372 3.509 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.985 1.322 2.485 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.429 1.987 3.223 1.00 0.00 H new ATOM 513 N MET A 34 -10.516 -0.787 0.567 1.00 0.00 N ATOM 514 CA MET A 34 -11.298 -0.789 -0.683 1.00 0.00 C ATOM 515 C MET A 34 -10.752 0.182 -1.725 1.00 0.00 C ATOM 516 O MET A 34 -11.211 1.305 -1.813 1.00 0.00 O ATOM 517 CB MET A 34 -12.805 -0.558 -0.424 1.00 0.00 C ATOM 518 CG MET A 34 -13.682 -0.604 -1.677 1.00 0.00 C ATOM 519 SD MET A 34 -15.430 -0.267 -1.327 1.00 0.00 S ATOM 520 CE MET A 34 -15.832 -1.634 -0.231 1.00 0.00 C ATOM 0 H MET A 34 -10.013 -1.663 0.707 1.00 0.00 H new ATOM 0 HA MET A 34 -11.189 -1.788 -1.105 1.00 0.00 H new ATOM 0 HB2 MET A 34 -13.159 -1.312 0.279 1.00 0.00 H new ATOM 0 HB3 MET A 34 -12.933 0.412 0.057 1.00 0.00 H new ATOM 0 HG2 MET A 34 -13.314 0.125 -2.399 1.00 0.00 H new ATOM 0 HG3 MET A 34 -13.592 -1.586 -2.141 1.00 0.00 H new ATOM 0 HE1 MET A 34 -16.914 -1.757 -0.184 1.00 0.00 H new ATOM 0 HE2 MET A 34 -15.379 -2.550 -0.611 1.00 0.00 H new ATOM 0 HE3 MET A 34 -15.447 -1.425 0.767 1.00 0.00 H new ATOM 530 N SER A 35 -9.735 -0.280 -2.461 1.00 0.00 N ATOM 531 CA SER A 35 -9.024 0.436 -3.558 1.00 0.00 C ATOM 532 C SER A 35 -7.799 -0.368 -4.013 1.00 0.00 C ATOM 533 O SER A 35 -6.873 -0.470 -3.317 1.00 0.00 O ATOM 534 CB SER A 35 -8.538 1.869 -3.176 1.00 0.00 C ATOM 535 OG SER A 35 -9.604 2.807 -3.087 1.00 0.00 O ATOM 0 H SER A 35 -9.355 -1.214 -2.309 1.00 0.00 H new ATOM 0 HA SER A 35 -9.761 0.536 -4.355 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.016 1.828 -2.220 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.818 2.213 -3.918 1.00 0.00 H new ATOM 0 HG SER A 35 -10.252 2.503 -2.417 1.00 0.00 H new ATOM 541 N THR A 36 -7.839 -0.939 -5.138 1.00 0.00 N ATOM 542 CA THR A 36 -6.666 -1.596 -5.730 1.00 0.00 C ATOM 543 C THR A 36 -5.700 -0.483 -6.224 1.00 0.00 C ATOM 544 O THR A 36 -6.096 0.411 -6.964 1.00 0.00 O ATOM 545 CB THR A 36 -7.103 -2.491 -6.919 1.00 0.00 C ATOM 546 OG1 THR A 36 -8.164 -3.376 -6.490 1.00 0.00 O ATOM 547 CG2 THR A 36 -5.941 -3.327 -7.442 1.00 0.00 C ATOM 0 H THR A 36 -8.678 -0.988 -5.716 1.00 0.00 H new ATOM 0 HA THR A 36 -6.171 -2.229 -4.994 1.00 0.00 H new ATOM 0 HB THR A 36 -7.450 -1.840 -7.722 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.442 -3.941 -7.241 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.281 -3.943 -8.275 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.142 -2.668 -7.781 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.567 -3.970 -6.645 1.00 0.00 H new ATOM 555 N TYR A 37 -4.498 -0.489 -5.675 1.00 0.00 N ATOM 556 CA TYR A 37 -3.484 0.569 -5.849 1.00 0.00 C ATOM 557 C TYR A 37 -2.057 0.072 -5.692 1.00 0.00 C ATOM 558 O TYR A 37 -1.836 -1.090 -5.756 1.00 0.00 O ATOM 559 CB TYR A 37 -3.708 1.715 -4.870 1.00 0.00 C ATOM 560 CG TYR A 37 -4.175 1.399 -3.507 1.00 0.00 C ATOM 561 CD1 TYR A 37 -4.061 0.142 -2.918 1.00 0.00 C ATOM 562 CD2 TYR A 37 -4.732 2.407 -2.793 1.00 0.00 C ATOM 563 CE1 TYR A 37 -4.529 -0.074 -1.666 1.00 0.00 C ATOM 564 CE2 TYR A 37 -5.186 2.219 -1.554 1.00 0.00 C ATOM 565 CZ TYR A 37 -5.102 0.969 -0.971 1.00 0.00 C ATOM 566 OH TYR A 37 -5.629 0.754 0.276 1.00 0.00 O ATOM 0 H TYR A 37 -4.178 -1.249 -5.074 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.609 0.916 -6.875 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.769 2.261 -4.780 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.431 2.396 -5.318 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.596 -0.666 -3.464 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -4.810 3.387 -3.239 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.454 -1.053 -1.217 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -5.619 3.043 -1.006 1.00 0.00 H new ATOM 0 HH TYR A 37 -6.535 1.126 0.317 1.00 0.00 H new ATOM 576 N ALA A 38 -1.097 1.040 -5.656 1.00 0.00 N ATOM 577 CA ALA A 38 0.322 0.879 -5.140 1.00 0.00 C ATOM 578 C ALA A 38 1.225 1.841 -5.814 1.00 0.00 C ATOM 579 O ALA A 38 1.393 1.755 -7.021 1.00 0.00 O ATOM 580 CB ALA A 38 0.973 -0.536 -5.277 1.00 0.00 C ATOM 0 H ALA A 38 -1.280 1.986 -5.991 1.00 0.00 H new ATOM 0 HA ALA A 38 0.211 1.060 -4.071 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.984 -0.512 -4.871 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.378 -1.265 -4.727 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.011 -0.819 -6.329 1.00 0.00 H new ATOM 586 N ASN A 39 1.752 2.784 -5.027 1.00 0.00 N ATOM 587 CA ASN A 39 2.780 3.760 -5.435 1.00 0.00 C ATOM 588 C ASN A 39 2.789 4.895 -4.452 1.00 0.00 C ATOM 589 O ASN A 39 2.050 4.849 -3.476 1.00 0.00 O ATOM 590 CB ASN A 39 2.649 4.279 -6.878 1.00 0.00 C ATOM 591 CG ASN A 39 1.383 5.028 -7.106 1.00 0.00 C ATOM 592 OD1 ASN A 39 1.347 6.220 -6.931 1.00 0.00 O ATOM 593 ND2 ASN A 39 0.337 4.344 -7.488 1.00 0.00 N ATOM 0 H ASN A 39 1.468 2.897 -4.054 1.00 0.00 H new ATOM 0 HA ASN A 39 3.733 3.230 -5.427 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.496 4.927 -7.105 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.698 3.437 -7.569 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.552 4.818 -7.649 1.00 0.00 H new ATOM 0 HD22 ASN A 39 0.409 3.336 -7.625 1.00 0.00 H new ATOM 600 N GLU A 40 3.604 5.903 -4.685 1.00 0.00 N ATOM 601 CA GLU A 40 3.703 7.013 -3.751 1.00 0.00 C ATOM 602 C GLU A 40 2.529 7.970 -3.859 1.00 0.00 C ATOM 603 O GLU A 40 2.117 8.573 -2.887 1.00 0.00 O ATOM 604 CB GLU A 40 4.970 7.811 -3.940 1.00 0.00 C ATOM 605 CG GLU A 40 6.249 7.061 -3.721 1.00 0.00 C ATOM 606 CD GLU A 40 7.405 8.010 -3.712 1.00 0.00 C ATOM 607 OE1 GLU A 40 7.851 8.439 -4.800 1.00 0.00 O ATOM 608 OE2 GLU A 40 7.849 8.380 -2.610 1.00 0.00 O ATOM 0 H GLU A 40 4.205 5.980 -5.506 1.00 0.00 H new ATOM 0 HA GLU A 40 3.705 6.548 -2.765 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.976 8.215 -4.952 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.947 8.661 -3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.205 6.520 -2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.384 6.319 -4.508 1.00 0.00 H new ATOM 615 N CYS A 41 1.946 8.010 -5.002 1.00 0.00 N ATOM 616 CA CYS A 41 0.959 9.013 -5.320 1.00 0.00 C ATOM 617 C CYS A 41 -0.406 8.439 -5.163 1.00 0.00 C ATOM 618 O CYS A 41 -1.406 9.139 -5.106 1.00 0.00 O ATOM 619 CB CYS A 41 1.242 9.632 -6.698 1.00 0.00 C ATOM 620 SG CYS A 41 -0.016 10.780 -7.386 1.00 0.00 S ATOM 0 H CYS A 41 2.132 7.350 -5.757 1.00 0.00 H new ATOM 0 HA CYS A 41 1.018 9.846 -4.619 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.189 10.168 -6.638 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.380 8.819 -7.410 1.00 0.00 H new ATOM 625 N THR A 42 -0.445 7.148 -5.069 1.00 0.00 N ATOM 626 CA THR A 42 -1.631 6.518 -4.730 1.00 0.00 C ATOM 627 C THR A 42 -1.536 6.032 -3.287 1.00 0.00 C ATOM 628 O THR A 42 -2.297 6.508 -2.461 1.00 0.00 O ATOM 629 CB THR A 42 -2.042 5.411 -5.702 1.00 0.00 C ATOM 630 OG1 THR A 42 -1.901 5.893 -7.057 1.00 0.00 O ATOM 631 CG2 THR A 42 -3.498 5.051 -5.477 1.00 0.00 C ATOM 0 H THR A 42 0.348 6.527 -5.228 1.00 0.00 H new ATOM 0 HA THR A 42 -2.437 7.247 -4.811 1.00 0.00 H new ATOM 0 HB THR A 42 -1.410 4.538 -5.538 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.377 5.293 -7.669 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.789 4.262 -6.171 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.632 4.702 -4.453 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.120 5.930 -5.645 1.00 0.00 H new ATOM 639 N LEU A 43 -0.541 5.160 -2.909 1.00 0.00 N ATOM 640 CA LEU A 43 -0.580 4.781 -1.474 1.00 0.00 C ATOM 641 C LEU A 43 0.021 5.766 -0.650 1.00 0.00 C ATOM 642 O LEU A 43 -0.582 6.211 0.145 1.00 0.00 O ATOM 643 CB LEU A 43 0.055 3.516 -1.021 1.00 0.00 C ATOM 644 CG LEU A 43 -0.540 2.294 -1.500 1.00 0.00 C ATOM 645 CD1 LEU A 43 0.309 1.114 -1.087 1.00 0.00 C ATOM 646 CD2 LEU A 43 -1.896 2.181 -0.907 1.00 0.00 C ATOM 0 H LEU A 43 0.195 4.760 -3.491 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.659 4.660 -1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.101 3.530 -1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.042 3.498 0.069 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.606 2.304 -2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.146 0.193 -1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.308 1.218 -1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.378 1.078 0.000 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.370 1.263 -1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.817 2.160 0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.498 3.037 -1.211 1.00 0.00 H new ATOM 658 N CYS A 44 1.252 6.080 -0.848 1.00 0.00 N ATOM 659 CA CYS A 44 1.935 6.973 0.114 1.00 0.00 C ATOM 660 C CYS A 44 1.237 8.294 0.408 1.00 0.00 C ATOM 661 O CYS A 44 1.401 8.847 1.510 1.00 0.00 O ATOM 662 CB CYS A 44 3.427 7.098 -0.082 1.00 0.00 C ATOM 663 SG CYS A 44 4.451 5.703 0.527 1.00 0.00 S ATOM 0 H CYS A 44 1.821 5.761 -1.632 1.00 0.00 H new ATOM 0 HA CYS A 44 1.827 6.421 1.048 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.622 7.225 -1.147 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.761 8.009 0.414 1.00 0.00 H new ATOM 668 N MET A 45 0.448 8.777 -0.528 1.00 0.00 N ATOM 669 CA MET A 45 -0.426 9.888 -0.231 1.00 0.00 C ATOM 670 C MET A 45 -1.460 9.376 0.746 1.00 0.00 C ATOM 671 O MET A 45 -1.501 9.791 1.916 1.00 0.00 O ATOM 672 CB MET A 45 -1.082 10.443 -1.496 1.00 0.00 C ATOM 673 CG MET A 45 -0.088 11.059 -2.417 1.00 0.00 C ATOM 674 SD MET A 45 -0.834 11.970 -3.772 1.00 0.00 S ATOM 675 CE MET A 45 0.622 12.707 -4.508 1.00 0.00 C ATOM 0 H MET A 45 0.394 8.425 -1.484 1.00 0.00 H new ATOM 0 HA MET A 45 0.138 10.716 0.199 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.607 9.640 -2.014 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.830 11.187 -1.220 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.554 11.731 -1.848 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.551 10.276 -2.825 1.00 0.00 H new ATOM 0 HE1 MET A 45 0.407 12.985 -5.540 1.00 0.00 H new ATOM 0 HE2 MET A 45 0.905 13.596 -3.944 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.442 11.989 -4.489 1.00 0.00 H new ATOM 685 N LYS A 46 -2.206 8.384 0.279 1.00 0.00 N ATOM 686 CA LYS A 46 -3.187 7.643 1.075 1.00 0.00 C ATOM 687 C LYS A 46 -2.639 7.180 2.419 1.00 0.00 C ATOM 688 O LYS A 46 -3.287 7.354 3.434 1.00 0.00 O ATOM 689 CB LYS A 46 -3.578 6.360 0.357 1.00 0.00 C ATOM 690 CG LYS A 46 -4.969 6.235 -0.213 1.00 0.00 C ATOM 691 CD LYS A 46 -5.196 7.018 -1.512 1.00 0.00 C ATOM 692 CE LYS A 46 -5.598 8.468 -1.283 1.00 0.00 C ATOM 693 NZ LYS A 46 -6.973 8.592 -0.748 1.00 0.00 N ATOM 0 H LYS A 46 -2.148 8.061 -0.687 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.018 8.333 1.218 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.873 6.213 -0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.433 5.535 1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.179 5.181 -0.397 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.686 6.578 0.533 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.283 6.992 -2.107 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.971 6.522 -2.096 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.897 8.932 -0.589 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.525 9.016 -2.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.553 9.150 -1.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.389 7.645 -0.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.944 9.068 0.176 1.00 0.00 H new ATOM 707 N ILE A 47 -1.476 6.597 2.421 1.00 0.00 N ATOM 708 CA ILE A 47 -1.058 5.879 3.534 1.00 0.00 C ATOM 709 C ILE A 47 -0.679 6.802 4.687 1.00 0.00 C ATOM 710 O ILE A 47 -0.971 6.505 5.854 1.00 0.00 O ATOM 711 CB ILE A 47 0.024 4.778 3.207 1.00 0.00 C ATOM 712 CG1 ILE A 47 -0.117 3.533 4.119 1.00 0.00 C ATOM 713 CG2 ILE A 47 1.448 5.332 3.319 1.00 0.00 C ATOM 714 CD1 ILE A 47 0.299 3.697 5.573 1.00 0.00 C ATOM 0 H ILE A 47 -0.813 6.620 1.646 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.918 5.303 3.877 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.157 4.474 2.176 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.159 3.213 4.098 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.474 2.726 3.686 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.164 4.544 3.087 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.574 6.156 2.617 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.620 5.691 4.334 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.152 2.755 6.102 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.351 3.980 5.621 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.307 4.474 6.039 1.00 0.00 H new ATOM 726 N ARG A 48 -0.064 7.947 4.351 1.00 0.00 N ATOM 727 CA ARG A 48 0.354 8.869 5.379 1.00 0.00 C ATOM 728 C ARG A 48 -0.866 9.419 6.059 1.00 0.00 C ATOM 729 O ARG A 48 -0.906 9.507 7.289 1.00 0.00 O ATOM 730 CB ARG A 48 1.241 9.987 4.804 1.00 0.00 C ATOM 731 CG ARG A 48 1.690 11.023 5.835 1.00 0.00 C ATOM 732 CD ARG A 48 2.761 11.947 5.275 1.00 0.00 C ATOM 733 NE ARG A 48 3.992 11.206 4.971 1.00 0.00 N ATOM 734 CZ ARG A 48 5.149 11.735 4.565 1.00 0.00 C ATOM 735 NH1 ARG A 48 5.273 13.049 4.362 1.00 0.00 N ATOM 736 NH2 ARG A 48 6.185 10.936 4.378 1.00 0.00 N ATOM 0 H ARG A 48 0.144 8.238 3.396 1.00 0.00 H new ATOM 0 HA ARG A 48 0.964 8.343 6.113 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.124 9.537 4.349 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.696 10.495 4.008 1.00 0.00 H new ATOM 0 HG2 ARG A 48 0.831 11.613 6.155 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.074 10.514 6.719 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.392 12.431 4.371 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.977 12.737 5.994 1.00 0.00 H new ATOM 0 HE ARG A 48 3.960 10.192 5.080 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.476 13.666 4.517 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.165 13.435 4.052 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.093 9.934 4.544 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.077 11.322 4.068 1.00 0.00 H new ATOM 750 N GLU A 49 -1.895 9.696 5.248 1.00 0.00 N ATOM 751 CA GLU A 49 -3.211 10.162 5.744 1.00 0.00 C ATOM 752 C GLU A 49 -4.083 10.565 4.590 1.00 0.00 C ATOM 753 O GLU A 49 -5.058 11.302 4.762 1.00 0.00 O ATOM 754 CB GLU A 49 -3.062 11.358 6.685 1.00 0.00 C ATOM 755 CG GLU A 49 -2.350 12.549 6.027 1.00 0.00 C ATOM 756 CD GLU A 49 -2.114 13.721 6.937 1.00 0.00 C ATOM 757 OE1 GLU A 49 -3.087 14.325 7.416 1.00 0.00 O ATOM 758 OE2 GLU A 49 -0.933 14.106 7.136 1.00 0.00 O ATOM 0 H GLU A 49 -1.847 9.606 4.233 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.665 9.336 6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.049 11.673 7.024 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.504 11.051 7.570 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.390 12.210 5.637 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.941 12.882 5.174 1.00 0.00 H new ATOM 765 N GLY A 50 -3.772 10.066 3.429 1.00 0.00 N ATOM 766 CA GLY A 50 -4.584 10.369 2.295 1.00 0.00 C ATOM 767 C GLY A 50 -5.822 9.576 2.403 1.00 0.00 C ATOM 768 O GLY A 50 -6.847 9.921 1.832 1.00 0.00 O ATOM 0 H GLY A 50 -2.974 9.457 3.247 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.814 11.434 2.263 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.056 10.129 1.372 1.00 0.00 H new ATOM 772 N GLY A 51 -5.720 8.452 3.107 1.00 0.00 N ATOM 773 CA GLY A 51 -6.891 7.757 3.424 1.00 0.00 C ATOM 774 C GLY A 51 -6.911 7.327 4.853 1.00 0.00 C ATOM 775 O GLY A 51 -7.681 7.826 5.669 1.00 0.00 O ATOM 0 H GLY A 51 -4.851 8.040 3.445 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.755 8.390 3.223 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.980 6.882 2.780 1.00 0.00 H new ATOM 779 N HIS A 52 -6.073 6.396 5.142 1.00 0.00 N ATOM 780 CA HIS A 52 -6.083 5.697 6.361 1.00 0.00 C ATOM 781 C HIS A 52 -4.676 5.173 6.453 1.00 0.00 C ATOM 782 O HIS A 52 -3.849 5.531 5.609 1.00 0.00 O ATOM 783 CB HIS A 52 -7.116 4.555 6.224 1.00 0.00 C ATOM 784 CG HIS A 52 -7.770 4.116 7.503 1.00 0.00 C ATOM 785 ND1 HIS A 52 -8.318 2.872 7.673 1.00 0.00 N ATOM 786 CD2 HIS A 52 -8.017 4.787 8.651 1.00 0.00 C ATOM 787 CE1 HIS A 52 -8.862 2.788 8.869 1.00 0.00 C ATOM 788 NE2 HIS A 52 -8.693 3.935 9.483 1.00 0.00 N ATOM 0 H HIS A 52 -5.336 6.094 4.505 1.00 0.00 H new ATOM 0 HA HIS A 52 -6.353 6.278 7.243 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -7.894 4.874 5.530 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.621 3.694 5.775 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -8.306 2.125 6.979 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.734 5.806 8.871 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -9.363 1.922 9.276 1.00 0.00 H new ATOM 797 N ASN A 53 -4.381 4.353 7.392 1.00 0.00 N ATOM 798 CA ASN A 53 -3.158 3.593 7.296 1.00 0.00 C ATOM 799 C ASN A 53 -3.456 2.401 6.417 1.00 0.00 C ATOM 800 O ASN A 53 -4.042 1.412 6.877 1.00 0.00 O ATOM 801 CB ASN A 53 -2.588 3.124 8.655 1.00 0.00 C ATOM 802 CG ASN A 53 -1.798 4.202 9.447 1.00 0.00 C ATOM 803 OD1 ASN A 53 -1.784 4.162 10.681 1.00 0.00 O ATOM 804 ND2 ASN A 53 -1.138 5.176 8.769 1.00 0.00 N ATOM 0 H ASN A 53 -4.945 4.181 8.225 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.385 4.240 6.881 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.413 2.772 9.275 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -1.933 2.270 8.481 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.619 5.891 9.279 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.161 5.193 7.749 1.00 0.00 H new ATOM 811 N ILE A 54 -3.177 2.566 5.131 1.00 0.00 N ATOM 812 CA ILE A 54 -3.409 1.532 4.138 1.00 0.00 C ATOM 813 C ILE A 54 -2.778 0.227 4.477 1.00 0.00 C ATOM 814 O ILE A 54 -1.590 0.133 4.784 1.00 0.00 O ATOM 815 CB ILE A 54 -3.085 1.939 2.654 1.00 0.00 C ATOM 816 CG1 ILE A 54 -4.212 2.829 2.045 1.00 0.00 C ATOM 817 CG2 ILE A 54 -2.930 0.669 1.809 1.00 0.00 C ATOM 818 CD1 ILE A 54 -4.615 4.042 2.844 1.00 0.00 C ATOM 0 H ILE A 54 -2.782 3.425 4.748 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.490 1.403 4.182 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.160 2.516 2.652 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.889 3.162 1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.096 2.208 1.898 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.705 0.943 0.778 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.117 0.063 2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.857 0.097 1.838 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.405 4.578 2.318 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.979 3.729 3.823 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.753 4.697 2.970 1.00 0.00 H new ATOM 830 N LYS A 55 -3.599 -0.754 4.426 1.00 0.00 N ATOM 831 CA LYS A 55 -3.246 -2.086 4.570 1.00 0.00 C ATOM 832 C LYS A 55 -3.833 -2.725 3.359 1.00 0.00 C ATOM 833 O LYS A 55 -4.827 -2.208 2.808 1.00 0.00 O ATOM 834 CB LYS A 55 -3.836 -2.641 5.863 1.00 0.00 C ATOM 835 CG LYS A 55 -5.307 -2.343 6.021 1.00 0.00 C ATOM 836 CD LYS A 55 -5.831 -2.660 7.395 1.00 0.00 C ATOM 837 CE LYS A 55 -7.289 -2.263 7.484 1.00 0.00 C ATOM 838 NZ LYS A 55 -7.481 -0.828 7.164 1.00 0.00 N ATOM 0 H LYS A 55 -4.599 -0.622 4.272 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.173 -2.261 4.642 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.686 -3.720 5.890 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.294 -2.223 6.711 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.483 -1.289 5.806 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.869 -2.916 5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.720 -3.724 7.601 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.251 -2.127 8.149 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.876 -2.872 6.796 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.662 -2.466 8.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.473 -0.564 7.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.862 -0.252 7.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.243 -0.660 6.166 1.00 0.00 H new ATOM 852 N ILE A 56 -3.267 -3.756 2.885 1.00 0.00 N ATOM 853 CA ILE A 56 -3.777 -4.315 1.722 1.00 0.00 C ATOM 854 C ILE A 56 -4.393 -5.624 1.987 1.00 0.00 C ATOM 855 O ILE A 56 -3.969 -6.361 2.882 1.00 0.00 O ATOM 856 CB ILE A 56 -2.764 -4.416 0.626 1.00 0.00 C ATOM 857 CG1 ILE A 56 -1.564 -5.249 1.042 1.00 0.00 C ATOM 858 CG2 ILE A 56 -2.387 -3.030 0.138 1.00 0.00 C ATOM 859 CD1 ILE A 56 -0.474 -5.264 0.009 1.00 0.00 C ATOM 0 H ILE A 56 -2.454 -4.224 3.286 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.549 -3.631 1.370 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.208 -4.948 -0.216 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.165 -4.859 1.978 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.888 -6.272 1.235 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.649 -3.113 -0.660 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.275 -2.524 -0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.966 -2.456 0.963 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.356 -5.875 0.364 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.860 -5.681 -0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.125 -4.246 -0.167 1.00 0.00 H new ATOM 871 N ILE A 57 -5.375 -5.920 1.218 1.00 0.00 N ATOM 872 CA ILE A 57 -6.131 -7.101 1.399 1.00 0.00 C ATOM 873 C ILE A 57 -5.416 -8.239 0.762 1.00 0.00 C ATOM 874 O ILE A 57 -5.392 -9.362 1.270 1.00 0.00 O ATOM 875 CB ILE A 57 -7.576 -6.933 0.867 1.00 0.00 C ATOM 876 CG1 ILE A 57 -8.479 -8.054 1.289 1.00 0.00 C ATOM 877 CG2 ILE A 57 -7.643 -6.704 -0.629 1.00 0.00 C ATOM 878 CD1 ILE A 57 -9.930 -7.898 0.853 1.00 0.00 C ATOM 0 H ILE A 57 -5.680 -5.341 0.435 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.229 -7.312 2.464 1.00 0.00 H new ATOM 0 HB ILE A 57 -7.947 -6.022 1.336 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -8.090 -8.988 0.884 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.447 -8.140 2.375 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.684 -6.595 -0.934 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.093 -5.798 -0.883 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.200 -7.554 -1.147 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.509 -8.754 1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.342 -6.983 1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -9.979 -7.845 -0.235 1.00 0.00 H new ATOM 890 N ARG A 58 -4.803 -7.927 -0.314 1.00 0.00 N ATOM 891 CA ARG A 58 -4.026 -8.819 -0.988 1.00 0.00 C ATOM 892 C ARG A 58 -2.706 -8.149 -1.328 1.00 0.00 C ATOM 893 O ARG A 58 -2.695 -7.008 -1.810 1.00 0.00 O ATOM 894 CB ARG A 58 -4.762 -9.334 -2.229 1.00 0.00 C ATOM 895 CG ARG A 58 -4.751 -10.822 -2.320 1.00 0.00 C ATOM 896 CD ARG A 58 -3.340 -11.292 -2.371 1.00 0.00 C ATOM 897 NE ARG A 58 -3.207 -12.720 -2.092 1.00 0.00 N ATOM 898 CZ ARG A 58 -2.045 -13.383 -2.050 1.00 0.00 C ATOM 899 NH1 ARG A 58 -0.912 -12.773 -2.405 1.00 0.00 N ATOM 900 NH2 ARG A 58 -2.025 -14.658 -1.687 1.00 0.00 N ATOM 0 H ARG A 58 -4.847 -7.003 -0.743 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.817 -9.692 -0.369 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.793 -8.982 -2.209 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.299 -8.915 -3.122 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.262 -11.256 -1.460 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.290 -11.149 -3.209 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.927 -11.079 -3.357 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.748 -10.729 -1.649 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.061 -13.250 -1.917 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.931 -11.800 -2.709 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.028 -13.280 -2.372 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.894 -15.132 -1.440 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.141 -15.165 -1.654 1.00 0.00 H new ATOM 914 N ASN A 59 -1.601 -8.816 -0.997 1.00 0.00 N ATOM 915 CA ASN A 59 -0.322 -8.345 -1.360 1.00 0.00 C ATOM 916 C ASN A 59 -0.040 -8.843 -2.732 1.00 0.00 C ATOM 917 O ASN A 59 -0.047 -10.057 -2.998 1.00 0.00 O ATOM 918 CB ASN A 59 0.782 -8.731 -0.365 1.00 0.00 C ATOM 919 CG ASN A 59 1.145 -10.208 -0.294 1.00 0.00 C ATOM 920 OD1 ASN A 59 2.006 -10.680 -1.023 1.00 0.00 O ATOM 921 ND2 ASN A 59 0.533 -10.929 0.611 1.00 0.00 N ATOM 0 H ASN A 59 -1.597 -9.691 -0.472 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.324 -7.255 -1.339 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.682 -8.170 -0.619 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.474 -8.407 0.629 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.770 -11.915 0.724 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.181 -10.505 1.204 1.00 0.00 H new ATOM 928 N GLY A 60 0.050 -7.928 -3.597 1.00 0.00 N ATOM 929 CA GLY A 60 0.233 -8.217 -4.978 1.00 0.00 C ATOM 930 C GLY A 60 -1.121 -8.257 -5.616 1.00 0.00 C ATOM 931 O GLY A 60 -2.091 -7.816 -4.976 1.00 0.00 O ATOM 0 H GLY A 60 -0.000 -6.933 -3.379 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.856 -7.456 -5.449 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.744 -9.171 -5.105 1.00 0.00 H new ATOM 935 N PRO A 61 -1.251 -8.756 -6.849 1.00 0.00 N ATOM 936 CA PRO A 61 -2.539 -8.837 -7.512 1.00 0.00 C ATOM 937 C PRO A 61 -3.499 -9.707 -6.720 1.00 0.00 C ATOM 938 O PRO A 61 -3.074 -10.630 -6.007 1.00 0.00 O ATOM 939 CB PRO A 61 -2.230 -9.494 -8.866 1.00 0.00 C ATOM 940 CG PRO A 61 -0.885 -10.106 -8.699 1.00 0.00 C ATOM 941 CD PRO A 61 -0.171 -9.266 -7.687 1.00 0.00 C ATOM 0 HA PRO A 61 -3.011 -7.860 -7.613 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.977 -10.246 -9.119 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.232 -8.759 -9.671 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -0.966 -11.139 -8.361 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -0.343 -10.122 -9.645 1.00 0.00 H new ATOM 0 HD2 PRO A 61 0.543 -9.853 -7.109 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.388 -8.458 -8.158 1.00 0.00 H new ATOM 949 N CYS A 62 -4.752 -9.390 -6.806 1.00 0.00 N ATOM 950 CA CYS A 62 -5.781 -10.142 -6.147 1.00 0.00 C ATOM 951 C CYS A 62 -5.850 -11.510 -6.827 1.00 0.00 C ATOM 952 O CYS A 62 -6.208 -11.562 -8.026 1.00 0.00 O ATOM 953 CB CYS A 62 -7.161 -9.415 -6.251 1.00 0.00 C ATOM 954 SG CYS A 62 -7.286 -7.711 -5.544 1.00 0.00 S ATOM 955 OXT CYS A 62 -5.437 -12.528 -6.225 1.00 0.00 O ATOM 0 H CYS A 62 -5.097 -8.593 -7.341 1.00 0.00 H new ATOM 0 HA CYS A 62 -5.551 -10.245 -5.087 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -7.434 -9.362 -7.305 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.907 -10.039 -5.759 1.00 0.00 H new TER 960 CYS A 62