USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 610 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 58 ASN : amide:sc= 0.885 K(o=0.24,f=-12!) USER MOD Set 1.2: A 81 THR OG1 : rot 5:sc= -0.642! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 19 TYR OH : rot 14:sc= 0.0558 USER MOD Single : A 22 TYR OH : rot -50:sc= 1.27 USER MOD Single : A 29 GLN : amide:sc= -0.209 K(o=-0.21,f=-0.76) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.855 F(o=-1.9!,f=-0.85) USER MOD Single : A 35 LYS NZ :NH3+ 158:sc= -2.97! (180deg=-4.56!) USER MOD Single : A 41 SER OG : rot -95:sc= 0.224 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN :FLIP amide:sc= -3.72! C(o=-4.4!,f=-3.7!) USER MOD Single : A 51 ASN : amide:sc= -1.43! X(o=-1.4!,f=-1.6) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 44:sc= 0.0708 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -1.35 F(o=-2.7!,f=-1.4) USER MOD Single : A 73 MET CE :methyl 145:sc= -0.397 (180deg=-1.27) USER MOD Single : A 76 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.427) USER MOD Single : A 80 GLN : amide:sc= -0.0033 X(o=-0.0033,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -7.629 -5.257 -9.257 1.00 0.00 N ATOM 60 CA GLY A 7 -6.780 -4.466 -8.385 1.00 0.00 C ATOM 61 C GLY A 7 -6.364 -3.153 -9.017 1.00 0.00 C ATOM 62 O GLY A 7 -5.832 -3.132 -10.127 1.00 0.00 O ATOM 0 HA2 GLY A 7 -7.308 -4.266 -7.453 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.890 -5.041 -8.130 1.00 0.00 H new ATOM 66 N ARG A 8 -6.608 -2.054 -8.311 1.00 0.00 N ATOM 67 CA ARG A 8 -6.257 -0.730 -8.811 1.00 0.00 C ATOM 68 C ARG A 8 -4.798 -0.403 -8.507 1.00 0.00 C ATOM 69 O ARG A 8 -4.197 -0.981 -7.602 1.00 0.00 O ATOM 70 CB ARG A 8 -7.169 0.330 -8.191 1.00 0.00 C ATOM 71 CG ARG A 8 -7.114 0.369 -6.673 1.00 0.00 C ATOM 72 CD ARG A 8 -8.154 1.321 -6.102 1.00 0.00 C ATOM 73 NE ARG A 8 -7.714 2.712 -6.162 1.00 0.00 N ATOM 74 CZ ARG A 8 -8.343 3.709 -5.549 1.00 0.00 C ATOM 75 NH1 ARG A 8 -9.433 3.469 -4.833 1.00 0.00 N ATOM 76 NH2 ARG A 8 -7.882 4.949 -5.652 1.00 0.00 N ATOM 0 H ARG A 8 -7.048 -2.054 -7.391 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.393 -0.729 -9.892 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.891 1.309 -8.581 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.196 0.142 -8.504 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.279 -0.633 -6.276 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.120 0.679 -6.352 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -9.087 1.212 -6.654 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.363 1.051 -5.067 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.878 2.930 -6.704 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.791 2.517 -4.752 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.914 4.236 -4.363 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.044 5.138 -6.202 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.366 5.714 -5.181 1.00 0.00 H new ATOM 90 N VAL A 9 -4.235 0.529 -9.270 1.00 0.00 N ATOM 91 CA VAL A 9 -2.847 0.934 -9.082 1.00 0.00 C ATOM 92 C VAL A 9 -2.759 2.276 -8.364 1.00 0.00 C ATOM 93 O VAL A 9 -3.478 3.218 -8.697 1.00 0.00 O ATOM 94 CB VAL A 9 -2.104 1.033 -10.427 1.00 0.00 C ATOM 95 CG1 VAL A 9 -0.698 1.575 -10.222 1.00 0.00 C ATOM 96 CG2 VAL A 9 -2.067 -0.322 -11.116 1.00 0.00 C ATOM 0 H VAL A 9 -4.719 1.017 -10.024 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.373 0.166 -8.470 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.644 1.727 -11.070 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.188 1.638 -11.184 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.752 2.567 -9.775 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.144 0.909 -9.561 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.538 -0.233 -12.065 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.551 -1.040 -10.479 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.085 -0.665 -11.299 1.00 0.00 H new ATOM 106 N VAL A 10 -1.871 2.356 -7.378 1.00 0.00 N ATOM 107 CA VAL A 10 -1.687 3.584 -6.614 1.00 0.00 C ATOM 108 C VAL A 10 -0.242 4.065 -6.686 1.00 0.00 C ATOM 109 O VAL A 10 0.684 3.265 -6.826 1.00 0.00 O ATOM 110 CB VAL A 10 -2.078 3.390 -5.137 1.00 0.00 C ATOM 111 CG1 VAL A 10 -2.205 4.734 -4.437 1.00 0.00 C ATOM 112 CG2 VAL A 10 -3.372 2.598 -5.028 1.00 0.00 C ATOM 0 H VAL A 10 -1.268 1.585 -7.090 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.340 4.335 -7.060 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.289 2.823 -4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.482 4.577 -3.395 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.252 5.260 -4.484 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.973 5.330 -4.930 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.633 2.470 -3.977 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.172 3.135 -5.538 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.240 1.620 -5.490 1.00 0.00 H new ATOM 122 N VAL A 11 -0.055 5.378 -6.590 1.00 0.00 N ATOM 123 CA VAL A 11 1.278 5.966 -6.643 1.00 0.00 C ATOM 124 C VAL A 11 1.436 7.063 -5.596 1.00 0.00 C ATOM 125 O VAL A 11 0.723 8.066 -5.621 1.00 0.00 O ATOM 126 CB VAL A 11 1.577 6.554 -8.035 1.00 0.00 C ATOM 127 CG1 VAL A 11 3.001 7.084 -8.097 1.00 0.00 C ATOM 128 CG2 VAL A 11 1.341 5.509 -9.116 1.00 0.00 C ATOM 0 H VAL A 11 -0.810 6.054 -6.475 1.00 0.00 H new ATOM 0 HA VAL A 11 1.986 5.164 -6.435 1.00 0.00 H new ATOM 0 HB VAL A 11 0.897 7.387 -8.212 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.193 7.495 -9.088 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.131 7.865 -7.348 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.700 6.272 -7.899 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.557 5.941 -10.093 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.995 4.654 -8.945 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.302 5.182 -9.085 1.00 0.00 H new ATOM 138 N ILE A 12 2.376 6.865 -4.677 1.00 0.00 N ATOM 139 CA ILE A 12 2.629 7.838 -3.622 1.00 0.00 C ATOM 140 C ILE A 12 4.075 8.321 -3.656 1.00 0.00 C ATOM 141 O ILE A 12 4.959 7.635 -4.170 1.00 0.00 O ATOM 142 CB ILE A 12 2.328 7.250 -2.231 1.00 0.00 C ATOM 143 CG1 ILE A 12 0.964 6.557 -2.230 1.00 0.00 C ATOM 144 CG2 ILE A 12 2.373 8.343 -1.173 1.00 0.00 C ATOM 145 CD1 ILE A 12 0.811 5.524 -1.135 1.00 0.00 C ATOM 0 H ILE A 12 2.974 6.040 -4.642 1.00 0.00 H new ATOM 0 HA ILE A 12 1.962 8.681 -3.803 1.00 0.00 H new ATOM 0 HB ILE A 12 3.091 6.509 -1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.183 7.310 -2.120 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.809 6.076 -3.196 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.158 7.912 -0.195 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.364 8.796 -1.160 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.629 9.105 -1.405 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.180 5.074 -1.195 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.569 4.750 -1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.933 6.003 -0.163 1.00 0.00 H new ATOM 157 N LYS A 13 4.310 9.505 -3.102 1.00 0.00 N ATOM 158 CA LYS A 13 5.649 10.081 -3.064 1.00 0.00 C ATOM 159 C LYS A 13 5.930 10.717 -1.706 1.00 0.00 C ATOM 160 O LYS A 13 5.298 11.704 -1.329 1.00 0.00 O ATOM 161 CB LYS A 13 5.809 11.125 -4.171 1.00 0.00 C ATOM 162 CG LYS A 13 4.968 10.839 -5.403 1.00 0.00 C ATOM 163 CD LYS A 13 4.822 12.073 -6.278 1.00 0.00 C ATOM 164 CE LYS A 13 6.170 12.554 -6.792 1.00 0.00 C ATOM 165 NZ LYS A 13 6.620 11.776 -7.980 1.00 0.00 N ATOM 0 H LYS A 13 3.590 10.085 -2.672 1.00 0.00 H new ATOM 0 HA LYS A 13 6.368 9.277 -3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.539 12.105 -3.777 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.858 11.176 -4.462 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.427 10.036 -5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.982 10.489 -5.098 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.169 11.847 -7.121 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.343 12.870 -5.709 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.103 13.610 -7.053 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.913 12.468 -5.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.542 12.134 -8.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.708 10.772 -7.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.924 11.878 -8.746 1.00 0.00 H new ATOM 179 N LYS A 14 6.883 10.147 -0.977 1.00 0.00 N ATOM 180 CA LYS A 14 7.251 10.659 0.338 1.00 0.00 C ATOM 181 C LYS A 14 7.135 12.180 0.381 1.00 0.00 C ATOM 182 O LYS A 14 7.439 12.863 -0.595 1.00 0.00 O ATOM 183 CB LYS A 14 8.678 10.236 0.692 1.00 0.00 C ATOM 184 CG LYS A 14 8.910 10.067 2.184 1.00 0.00 C ATOM 185 CD LYS A 14 10.391 9.984 2.512 1.00 0.00 C ATOM 186 CE LYS A 14 10.641 9.131 3.746 1.00 0.00 C ATOM 187 NZ LYS A 14 11.855 9.572 4.488 1.00 0.00 N ATOM 0 H LYS A 14 7.415 9.329 -1.275 1.00 0.00 H new ATOM 0 HA LYS A 14 6.562 10.238 1.070 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.905 9.296 0.189 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.375 10.980 0.306 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.464 10.905 2.720 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.408 9.164 2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.930 9.564 1.663 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.785 10.987 2.675 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.774 9.182 4.405 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.755 8.088 3.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.991 8.966 5.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.687 9.499 3.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.736 10.559 4.793 1.00 0.00 H new ATOM 201 N GLY A 15 6.693 12.703 1.521 1.00 0.00 N ATOM 202 CA GLY A 15 6.546 14.139 1.670 1.00 0.00 C ATOM 203 C GLY A 15 7.487 14.713 2.712 1.00 0.00 C ATOM 204 O GLY A 15 8.698 14.773 2.499 1.00 0.00 O ATOM 0 H GLY A 15 6.434 12.158 2.343 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.733 14.622 0.711 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.517 14.369 1.948 1.00 0.00 H new ATOM 208 N SER A 16 6.929 15.137 3.841 1.00 0.00 N ATOM 209 CA SER A 16 7.725 15.715 4.917 1.00 0.00 C ATOM 210 C SER A 16 7.809 14.759 6.103 1.00 0.00 C ATOM 211 O SER A 16 8.898 14.402 6.550 1.00 0.00 O ATOM 212 CB SER A 16 7.126 17.049 5.365 1.00 0.00 C ATOM 213 OG SER A 16 6.964 17.929 4.266 1.00 0.00 O ATOM 0 H SER A 16 5.929 15.091 4.034 1.00 0.00 H new ATOM 0 HA SER A 16 8.732 15.887 4.538 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.161 16.876 5.842 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.773 17.510 6.112 1.00 0.00 H new ATOM 0 HG SER A 16 6.578 18.774 4.578 1.00 0.00 H new ATOM 219 N ASN A 17 6.650 14.349 6.608 1.00 0.00 N ATOM 220 CA ASN A 17 6.592 13.435 7.743 1.00 0.00 C ATOM 221 C ASN A 17 6.797 11.992 7.291 1.00 0.00 C ATOM 222 O ASN A 17 7.638 11.275 7.831 1.00 0.00 O ATOM 223 CB ASN A 17 5.249 13.569 8.464 1.00 0.00 C ATOM 224 CG ASN A 17 5.217 12.806 9.774 1.00 0.00 C ATOM 225 OD1 ASN A 17 5.019 11.591 9.794 1.00 0.00 O ATOM 226 ND2 ASN A 17 5.413 13.518 10.878 1.00 0.00 N ATOM 0 H ASN A 17 5.739 14.635 6.249 1.00 0.00 H new ATOM 0 HA ASN A 17 7.395 13.699 8.431 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.046 14.623 8.655 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.453 13.204 7.815 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.403 13.059 11.789 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.574 14.523 10.815 1.00 0.00 H new ATOM 233 N GLY A 18 6.022 11.574 6.295 1.00 0.00 N ATOM 234 CA GLY A 18 6.134 10.219 5.786 1.00 0.00 C ATOM 235 C GLY A 18 5.308 10.000 4.534 1.00 0.00 C ATOM 236 O GLY A 18 5.309 10.833 3.628 1.00 0.00 O ATOM 0 H GLY A 18 5.319 12.149 5.831 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.180 10.000 5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.814 9.517 6.556 1.00 0.00 H new ATOM 240 N TYR A 19 4.603 8.875 4.482 1.00 0.00 N ATOM 241 CA TYR A 19 3.772 8.547 3.330 1.00 0.00 C ATOM 242 C TYR A 19 2.315 8.919 3.585 1.00 0.00 C ATOM 243 O TYR A 19 1.693 9.621 2.789 1.00 0.00 O ATOM 244 CB TYR A 19 3.880 7.056 3.005 1.00 0.00 C ATOM 245 CG TYR A 19 5.116 6.697 2.211 1.00 0.00 C ATOM 246 CD1 TYR A 19 5.147 6.847 0.830 1.00 0.00 C ATOM 247 CD2 TYR A 19 6.253 6.208 2.843 1.00 0.00 C ATOM 248 CE1 TYR A 19 6.273 6.519 0.101 1.00 0.00 C ATOM 249 CE2 TYR A 19 7.385 5.879 2.122 1.00 0.00 C ATOM 250 CZ TYR A 19 7.390 6.036 0.751 1.00 0.00 C ATOM 251 OH TYR A 19 8.515 5.710 0.029 1.00 0.00 O ATOM 0 H TYR A 19 4.591 8.175 5.224 1.00 0.00 H new ATOM 0 HA TYR A 19 4.132 9.125 2.479 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.879 6.489 3.936 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.997 6.750 2.444 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.275 7.227 0.318 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.252 6.083 3.916 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.279 6.640 -0.972 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.261 5.501 2.629 1.00 0.00 H new ATOM 0 HH TYR A 19 8.442 6.080 -0.875 1.00 0.00 H new ATOM 261 N GLY A 20 1.776 8.443 4.703 1.00 0.00 N ATOM 262 CA GLY A 20 0.397 8.735 5.045 1.00 0.00 C ATOM 263 C GLY A 20 -0.385 7.491 5.419 1.00 0.00 C ATOM 264 O GLY A 20 -1.296 7.546 6.245 1.00 0.00 O ATOM 0 H GLY A 20 2.270 7.860 5.378 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.374 9.439 5.877 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.088 9.224 4.200 1.00 0.00 H new ATOM 268 N PHE A 21 -0.029 6.366 4.808 1.00 0.00 N ATOM 269 CA PHE A 21 -0.705 5.103 5.079 1.00 0.00 C ATOM 270 C PHE A 21 0.216 4.142 5.825 1.00 0.00 C ATOM 271 O PHE A 21 1.435 4.180 5.660 1.00 0.00 O ATOM 272 CB PHE A 21 -1.179 4.463 3.772 1.00 0.00 C ATOM 273 CG PHE A 21 -0.084 3.768 3.014 1.00 0.00 C ATOM 274 CD1 PHE A 21 0.763 4.483 2.183 1.00 0.00 C ATOM 275 CD2 PHE A 21 0.099 2.399 3.133 1.00 0.00 C ATOM 276 CE1 PHE A 21 1.772 3.847 1.484 1.00 0.00 C ATOM 277 CE2 PHE A 21 1.106 1.758 2.437 1.00 0.00 C ATOM 278 CZ PHE A 21 1.943 2.482 1.611 1.00 0.00 C ATOM 0 H PHE A 21 0.723 6.303 4.122 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.570 5.311 5.708 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.969 3.745 3.994 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.617 5.233 3.137 1.00 0.00 H new ATOM 0 HD1 PHE A 21 0.633 5.550 2.080 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.553 1.827 3.777 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.426 4.416 0.840 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.238 0.691 2.539 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.730 1.982 1.065 1.00 0.00 H new ATOM 288 N TYR A 22 -0.377 3.282 6.646 1.00 0.00 N ATOM 289 CA TYR A 22 0.389 2.312 7.420 1.00 0.00 C ATOM 290 C TYR A 22 0.047 0.886 7.000 1.00 0.00 C ATOM 291 O TYR A 22 -0.929 0.654 6.285 1.00 0.00 O ATOM 292 CB TYR A 22 0.120 2.494 8.915 1.00 0.00 C ATOM 293 CG TYR A 22 0.492 3.864 9.435 1.00 0.00 C ATOM 294 CD1 TYR A 22 -0.364 4.947 9.272 1.00 0.00 C ATOM 295 CD2 TYR A 22 1.699 4.077 10.088 1.00 0.00 C ATOM 296 CE1 TYR A 22 -0.028 6.200 9.744 1.00 0.00 C ATOM 297 CE2 TYR A 22 2.043 5.326 10.566 1.00 0.00 C ATOM 298 CZ TYR A 22 1.176 6.385 10.391 1.00 0.00 C ATOM 299 OH TYR A 22 1.516 7.632 10.864 1.00 0.00 O ATOM 0 H TYR A 22 -1.385 3.237 6.793 1.00 0.00 H new ATOM 0 HA TYR A 22 1.447 2.484 7.224 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.938 2.316 9.110 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.678 1.740 9.470 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.308 4.806 8.767 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.381 3.251 10.224 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.704 7.031 9.607 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.985 5.473 11.074 1.00 0.00 H new ATOM 0 HH TYR A 22 1.388 8.297 10.155 1.00 0.00 H new ATOM 309 N LEU A 23 0.856 -0.066 7.449 1.00 0.00 N ATOM 310 CA LEU A 23 0.640 -1.471 7.121 1.00 0.00 C ATOM 311 C LEU A 23 0.670 -2.335 8.379 1.00 0.00 C ATOM 312 O LEU A 23 1.489 -2.119 9.272 1.00 0.00 O ATOM 313 CB LEU A 23 1.703 -1.954 6.132 1.00 0.00 C ATOM 314 CG LEU A 23 1.582 -1.421 4.704 1.00 0.00 C ATOM 315 CD1 LEU A 23 2.757 -1.886 3.859 1.00 0.00 C ATOM 316 CD2 LEU A 23 0.266 -1.862 4.080 1.00 0.00 C ATOM 0 H LEU A 23 1.668 0.109 8.041 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.344 -1.564 6.662 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.684 -1.678 6.520 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.669 -3.043 6.096 1.00 0.00 H new ATOM 0 HG LEU A 23 1.597 -0.332 4.741 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.653 -1.497 2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.686 -1.520 4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.775 -2.975 3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.197 -1.474 3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.221 -2.951 4.056 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.564 -1.478 4.672 1.00 0.00 H new ATOM 328 N ARG A 24 -0.226 -3.314 8.439 1.00 0.00 N ATOM 329 CA ARG A 24 -0.302 -4.210 9.587 1.00 0.00 C ATOM 330 C ARG A 24 -0.541 -5.649 9.137 1.00 0.00 C ATOM 331 O ARG A 24 -1.358 -5.906 8.254 1.00 0.00 O ATOM 332 CB ARG A 24 -1.419 -3.768 10.534 1.00 0.00 C ATOM 333 CG ARG A 24 -1.225 -4.239 11.966 1.00 0.00 C ATOM 334 CD ARG A 24 -2.466 -3.988 12.808 1.00 0.00 C ATOM 335 NE ARG A 24 -2.234 -4.268 14.222 1.00 0.00 N ATOM 336 CZ ARG A 24 -3.024 -3.832 15.197 1.00 0.00 C ATOM 337 NH1 ARG A 24 -4.093 -3.101 14.912 1.00 0.00 N ATOM 338 NH2 ARG A 24 -2.747 -4.129 16.460 1.00 0.00 N ATOM 0 H ARG A 24 -0.909 -3.507 7.707 1.00 0.00 H new ATOM 0 HA ARG A 24 0.650 -4.165 10.115 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.483 -2.680 10.524 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.371 -4.147 10.162 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.990 -5.303 11.971 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.373 -3.722 12.408 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.780 -2.951 12.691 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.283 -4.611 12.444 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.421 -4.829 14.475 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.311 -2.872 13.942 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.698 -2.768 15.663 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.927 -4.693 16.683 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.354 -3.794 17.208 1.00 0.00 H new ATOM 352 N ALA A 25 0.178 -6.582 9.752 1.00 0.00 N ATOM 353 CA ALA A 25 0.043 -7.994 9.417 1.00 0.00 C ATOM 354 C ALA A 25 -1.418 -8.432 9.460 1.00 0.00 C ATOM 355 O ALA A 25 -1.992 -8.608 10.533 1.00 0.00 O ATOM 356 CB ALA A 25 0.878 -8.844 10.363 1.00 0.00 C ATOM 0 H ALA A 25 0.860 -6.385 10.485 1.00 0.00 H new ATOM 0 HA ALA A 25 0.408 -8.136 8.400 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.767 -9.896 10.101 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.926 -8.558 10.280 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.539 -8.688 11.387 1.00 0.00 H new ATOM 362 N GLY A 26 -2.014 -8.604 8.284 1.00 0.00 N ATOM 363 CA GLY A 26 -3.403 -9.019 8.210 1.00 0.00 C ATOM 364 C GLY A 26 -3.590 -10.483 8.555 1.00 0.00 C ATOM 365 O GLY A 26 -2.631 -11.207 8.822 1.00 0.00 O ATOM 0 H GLY A 26 -1.560 -8.463 7.381 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.998 -8.410 8.891 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.781 -8.835 7.204 1.00 0.00 H new ATOM 369 N PRO A 27 -4.852 -10.938 8.553 1.00 0.00 N ATOM 370 CA PRO A 27 -5.191 -12.329 8.868 1.00 0.00 C ATOM 371 C PRO A 27 -4.737 -13.297 7.780 1.00 0.00 C ATOM 372 O PRO A 27 -3.986 -12.924 6.880 1.00 0.00 O ATOM 373 CB PRO A 27 -6.719 -12.309 8.961 1.00 0.00 C ATOM 374 CG PRO A 27 -7.135 -11.157 8.113 1.00 0.00 C ATOM 375 CD PRO A 27 -6.043 -10.131 8.245 1.00 0.00 C ATOM 0 HA PRO A 27 -4.699 -12.672 9.778 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.150 -13.243 8.599 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.051 -12.183 9.991 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.260 -11.462 7.074 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.092 -10.754 8.444 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.915 -9.560 7.325 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.259 -9.414 9.037 1.00 0.00 H new ATOM 383 N GLU A 28 -5.198 -14.540 7.870 1.00 0.00 N ATOM 384 CA GLU A 28 -4.837 -15.561 6.893 1.00 0.00 C ATOM 385 C GLU A 28 -4.740 -14.962 5.492 1.00 0.00 C ATOM 386 O GLU A 28 -3.933 -15.402 4.674 1.00 0.00 O ATOM 387 CB GLU A 28 -5.864 -16.695 6.905 1.00 0.00 C ATOM 388 CG GLU A 28 -7.268 -16.249 6.529 1.00 0.00 C ATOM 389 CD GLU A 28 -8.337 -17.189 7.051 1.00 0.00 C ATOM 390 OE1 GLU A 28 -8.160 -18.419 6.926 1.00 0.00 O ATOM 391 OE2 GLU A 28 -9.352 -16.694 7.585 1.00 0.00 O ATOM 0 H GLU A 28 -5.822 -14.865 8.609 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.861 -15.962 7.167 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.542 -17.473 6.213 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.888 -17.142 7.899 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.445 -15.248 6.923 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.346 -16.183 5.444 1.00 0.00 H new ATOM 398 N GLN A 29 -5.568 -13.958 5.226 1.00 0.00 N ATOM 399 CA GLN A 29 -5.576 -13.300 3.924 1.00 0.00 C ATOM 400 C GLN A 29 -4.164 -12.910 3.503 1.00 0.00 C ATOM 401 O GLN A 29 -3.338 -12.531 4.335 1.00 0.00 O ATOM 402 CB GLN A 29 -6.471 -12.060 3.962 1.00 0.00 C ATOM 403 CG GLN A 29 -7.936 -12.375 4.220 1.00 0.00 C ATOM 404 CD GLN A 29 -8.511 -13.346 3.208 1.00 0.00 C ATOM 405 OE1 GLN A 29 -8.116 -13.353 2.042 1.00 0.00 O ATOM 406 NE2 GLN A 29 -9.450 -14.175 3.650 1.00 0.00 N ATOM 0 H GLN A 29 -6.242 -13.582 5.893 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.972 -14.003 3.191 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.111 -11.386 4.739 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.383 -11.530 3.014 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.043 -12.793 5.221 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.512 -11.450 4.198 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.748 -14.135 4.625 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.873 -14.852 3.015 1.00 0.00 H new ATOM 415 N LYS A 30 -3.891 -13.004 2.206 1.00 0.00 N ATOM 416 CA LYS A 30 -2.578 -12.660 1.673 1.00 0.00 C ATOM 417 C LYS A 30 -2.495 -11.172 1.350 1.00 0.00 C ATOM 418 O LYS A 30 -3.251 -10.663 0.523 1.00 0.00 O ATOM 419 CB LYS A 30 -2.284 -13.482 0.416 1.00 0.00 C ATOM 420 CG LYS A 30 -1.605 -14.810 0.703 1.00 0.00 C ATOM 421 CD LYS A 30 -2.614 -15.887 1.064 1.00 0.00 C ATOM 422 CE LYS A 30 -2.008 -16.932 1.987 1.00 0.00 C ATOM 423 NZ LYS A 30 -2.632 -18.271 1.795 1.00 0.00 N ATOM 0 H LYS A 30 -4.562 -13.316 1.504 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.833 -12.891 2.434 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.219 -13.668 -0.113 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.651 -12.897 -0.251 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.034 -15.124 -0.171 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.895 -14.687 1.521 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.478 -15.430 1.547 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.975 -16.368 0.155 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.936 -17.001 1.803 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.134 -16.618 3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.191 -18.955 2.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.651 -18.211 1.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.490 -18.583 0.813 1.00 0.00 H new ATOM 437 N GLY A 31 -1.570 -10.479 2.007 1.00 0.00 N ATOM 438 CA GLY A 31 -1.405 -9.056 1.775 1.00 0.00 C ATOM 439 C GLY A 31 -1.533 -8.242 3.048 1.00 0.00 C ATOM 440 O GLY A 31 -2.219 -8.649 3.985 1.00 0.00 O ATOM 0 H GLY A 31 -0.932 -10.878 2.696 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.427 -8.875 1.328 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.151 -8.719 1.056 1.00 0.00 H new ATOM 444 N GLN A 32 -0.870 -7.090 3.081 1.00 0.00 N ATOM 445 CA GLN A 32 -0.911 -6.219 4.250 1.00 0.00 C ATOM 446 C GLN A 32 -2.194 -5.395 4.269 1.00 0.00 C ATOM 447 O GLN A 32 -2.866 -5.251 3.247 1.00 0.00 O ATOM 448 CB GLN A 32 0.305 -5.292 4.264 1.00 0.00 C ATOM 449 CG GLN A 32 1.633 -6.029 4.201 1.00 0.00 C ATOM 450 CD GLN A 32 1.853 -6.938 5.394 1.00 0.00 C ATOM 451 OE1 GLN A 32 2.093 -6.343 6.556 1.00 0.00 O flip ATOM 452 NE2 GLN A 32 1.807 -8.163 5.272 1.00 0.00 N flip ATOM 0 H GLN A 32 -0.299 -6.739 2.313 1.00 0.00 H new ATOM 0 HA GLN A 32 -0.890 -6.847 5.141 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.239 -4.607 3.419 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.278 -4.685 5.169 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.673 -6.620 3.286 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.445 -5.303 4.147 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.619 -8.578 4.359 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.956 -8.762 6.084 1.00 0.00 H new ATOM 461 N ILE A 33 -2.529 -4.857 5.437 1.00 0.00 N ATOM 462 CA ILE A 33 -3.731 -4.047 5.589 1.00 0.00 C ATOM 463 C ILE A 33 -3.380 -2.587 5.853 1.00 0.00 C ATOM 464 O ILE A 33 -2.402 -2.288 6.539 1.00 0.00 O ATOM 465 CB ILE A 33 -4.619 -4.566 6.735 1.00 0.00 C ATOM 466 CG1 ILE A 33 -4.720 -6.092 6.680 1.00 0.00 C ATOM 467 CG2 ILE A 33 -6.001 -3.935 6.661 1.00 0.00 C ATOM 468 CD1 ILE A 33 -5.886 -6.649 7.466 1.00 0.00 C ATOM 0 H ILE A 33 -1.984 -4.968 6.292 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.282 -4.122 4.652 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.163 -4.285 7.684 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.811 -6.405 5.640 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.795 -6.523 7.063 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.617 -4.312 7.477 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.911 -2.852 6.744 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.466 -4.189 5.709 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.895 -7.736 7.382 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.786 -6.367 8.514 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.818 -6.246 7.069 1.00 0.00 H new ATOM 480 N ILE A 34 -4.185 -1.682 5.306 1.00 0.00 N ATOM 481 CA ILE A 34 -3.961 -0.253 5.486 1.00 0.00 C ATOM 482 C ILE A 34 -4.885 0.317 6.557 1.00 0.00 C ATOM 483 O ILE A 34 -6.038 -0.095 6.683 1.00 0.00 O ATOM 484 CB ILE A 34 -4.178 0.520 4.172 1.00 0.00 C ATOM 485 CG1 ILE A 34 -3.134 0.106 3.133 1.00 0.00 C ATOM 486 CG2 ILE A 34 -4.116 2.019 4.423 1.00 0.00 C ATOM 487 CD1 ILE A 34 -3.234 0.877 1.835 1.00 0.00 C ATOM 0 H ILE A 34 -4.998 -1.913 4.735 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.925 -0.133 5.802 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.167 0.276 3.784 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.139 0.247 3.554 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.244 -0.958 2.924 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.271 2.552 3.485 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.893 2.301 5.133 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.139 2.280 4.831 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.464 0.531 1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.217 0.716 1.391 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.094 1.940 2.031 1.00 0.00 H new ATOM 499 N LYS A 35 -4.371 1.271 7.327 1.00 0.00 N ATOM 500 CA LYS A 35 -5.149 1.902 8.386 1.00 0.00 C ATOM 501 C LYS A 35 -4.403 3.098 8.970 1.00 0.00 C ATOM 502 O LYS A 35 -3.186 3.214 8.823 1.00 0.00 O ATOM 503 CB LYS A 35 -5.458 0.891 9.492 1.00 0.00 C ATOM 504 CG LYS A 35 -4.235 0.141 9.990 1.00 0.00 C ATOM 505 CD LYS A 35 -4.595 -1.253 10.477 1.00 0.00 C ATOM 506 CE LYS A 35 -5.287 -1.209 11.830 1.00 0.00 C ATOM 507 NZ LYS A 35 -6.431 -0.255 11.838 1.00 0.00 N ATOM 0 H LYS A 35 -3.418 1.624 7.237 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.085 2.255 7.954 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.920 1.412 10.330 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.189 0.172 9.122 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.500 0.069 9.188 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.769 0.701 10.800 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.247 -1.737 9.749 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.692 -1.859 10.549 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.644 -2.206 12.088 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.568 -0.920 12.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.088 -0.508 12.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.077 0.711 11.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.928 -0.301 10.925 1.00 0.00 H new ATOM 521 N ASP A 36 -5.140 3.982 9.633 1.00 0.00 N ATOM 522 CA ASP A 36 -4.547 5.167 10.242 1.00 0.00 C ATOM 523 C ASP A 36 -4.089 6.155 9.174 1.00 0.00 C ATOM 524 O ASP A 36 -3.037 6.783 9.306 1.00 0.00 O ATOM 525 CB ASP A 36 -3.367 4.774 11.131 1.00 0.00 C ATOM 526 CG ASP A 36 -3.097 5.795 12.220 1.00 0.00 C ATOM 527 OD1 ASP A 36 -2.337 6.752 11.962 1.00 0.00 O ATOM 528 OD2 ASP A 36 -3.647 5.637 13.330 1.00 0.00 O ATOM 0 H ASP A 36 -6.148 3.901 9.762 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.308 5.649 10.855 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.567 3.805 11.587 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.475 4.659 10.516 1.00 0.00 H new ATOM 533 N ILE A 37 -4.883 6.287 8.117 1.00 0.00 N ATOM 534 CA ILE A 37 -4.558 7.198 7.027 1.00 0.00 C ATOM 535 C ILE A 37 -4.477 8.639 7.520 1.00 0.00 C ATOM 536 O ILE A 37 -5.301 9.078 8.321 1.00 0.00 O ATOM 537 CB ILE A 37 -5.597 7.113 5.893 1.00 0.00 C ATOM 538 CG1 ILE A 37 -5.582 5.720 5.261 1.00 0.00 C ATOM 539 CG2 ILE A 37 -5.325 8.180 4.844 1.00 0.00 C ATOM 540 CD1 ILE A 37 -6.654 5.520 4.213 1.00 0.00 C ATOM 0 H ILE A 37 -5.756 5.775 7.992 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.585 6.893 6.641 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.587 7.289 6.314 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.606 5.546 4.808 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.708 4.973 6.045 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.068 8.107 4.049 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.382 9.166 5.305 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.330 8.033 4.425 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.583 4.510 3.808 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.636 5.662 4.665 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.517 6.243 3.409 1.00 0.00 H new ATOM 552 N GLU A 38 -3.478 9.370 7.034 1.00 0.00 N ATOM 553 CA GLU A 38 -3.290 10.762 7.425 1.00 0.00 C ATOM 554 C GLU A 38 -3.843 11.705 6.361 1.00 0.00 C ATOM 555 O GLU A 38 -3.743 11.453 5.160 1.00 0.00 O ATOM 556 CB GLU A 38 -1.807 11.053 7.660 1.00 0.00 C ATOM 557 CG GLU A 38 -1.163 10.140 8.691 1.00 0.00 C ATOM 558 CD GLU A 38 0.351 10.223 8.679 1.00 0.00 C ATOM 559 OE1 GLU A 38 0.883 11.352 8.637 1.00 0.00 O ATOM 560 OE2 GLU A 38 1.003 9.158 8.712 1.00 0.00 O ATOM 0 H GLU A 38 -2.787 9.021 6.369 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.837 10.929 8.353 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.272 10.955 6.715 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.695 12.088 7.983 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.530 10.403 9.683 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.468 9.111 8.501 1.00 0.00 H new ATOM 567 N PRO A 39 -4.441 12.818 6.810 1.00 0.00 N ATOM 568 CA PRO A 39 -5.021 13.823 5.914 1.00 0.00 C ATOM 569 C PRO A 39 -3.957 14.590 5.137 1.00 0.00 C ATOM 570 O PRO A 39 -2.815 14.708 5.580 1.00 0.00 O ATOM 571 CB PRO A 39 -5.768 14.760 6.866 1.00 0.00 C ATOM 572 CG PRO A 39 -5.066 14.610 8.172 1.00 0.00 C ATOM 573 CD PRO A 39 -4.596 13.183 8.229 1.00 0.00 C ATOM 0 HA PRO A 39 -5.658 13.371 5.153 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.734 15.791 6.514 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.820 14.485 6.948 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.226 15.301 8.245 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.735 14.834 9.003 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.656 13.091 8.773 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.319 12.541 8.732 1.00 0.00 H new ATOM 581 N GLY A 40 -4.339 15.111 3.975 1.00 0.00 N ATOM 582 CA GLY A 40 -3.406 15.862 3.155 1.00 0.00 C ATOM 583 C GLY A 40 -2.057 15.179 3.040 1.00 0.00 C ATOM 584 O GLY A 40 -1.052 15.824 2.742 1.00 0.00 O ATOM 0 H GLY A 40 -5.278 15.026 3.587 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.828 15.996 2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.271 16.856 3.581 1.00 0.00 H new ATOM 588 N SER A 41 -2.035 13.872 3.279 1.00 0.00 N ATOM 589 CA SER A 41 -0.798 13.103 3.206 1.00 0.00 C ATOM 590 C SER A 41 -0.672 12.403 1.856 1.00 0.00 C ATOM 591 O SER A 41 -1.659 12.144 1.168 1.00 0.00 O ATOM 592 CB SER A 41 -0.747 12.071 4.335 1.00 0.00 C ATOM 593 OG SER A 41 -1.548 10.943 4.030 1.00 0.00 O ATOM 0 H SER A 41 -2.859 13.323 3.525 1.00 0.00 H new ATOM 0 HA SER A 41 0.038 13.794 3.317 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.284 11.756 4.498 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.092 12.526 5.264 1.00 0.00 H new ATOM 0 HG SER A 41 -2.434 11.052 4.435 1.00 0.00 H new ATOM 599 N PRO A 42 0.573 12.091 1.467 1.00 0.00 N ATOM 600 CA PRO A 42 0.860 11.417 0.197 1.00 0.00 C ATOM 601 C PRO A 42 -0.035 10.203 -0.030 1.00 0.00 C ATOM 602 O PRO A 42 -0.275 9.802 -1.168 1.00 0.00 O ATOM 603 CB PRO A 42 2.320 10.985 0.347 1.00 0.00 C ATOM 604 CG PRO A 42 2.904 11.950 1.319 1.00 0.00 C ATOM 605 CD PRO A 42 1.797 12.371 2.237 1.00 0.00 C ATOM 0 HA PRO A 42 0.680 12.067 -0.659 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.394 9.961 0.713 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.843 11.020 -0.609 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.716 11.488 1.881 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.325 12.812 0.801 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.818 11.811 3.172 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.873 13.427 2.497 1.00 0.00 H new ATOM 613 N ALA A 43 -0.526 9.624 1.061 1.00 0.00 N ATOM 614 CA ALA A 43 -1.396 8.457 0.980 1.00 0.00 C ATOM 615 C ALA A 43 -2.820 8.859 0.611 1.00 0.00 C ATOM 616 O ALA A 43 -3.377 8.371 -0.371 1.00 0.00 O ATOM 617 CB ALA A 43 -1.385 7.698 2.298 1.00 0.00 C ATOM 0 H ALA A 43 -0.336 9.944 2.011 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.015 7.804 0.194 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.039 6.829 2.223 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.370 7.370 2.520 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.739 8.350 3.096 1.00 0.00 H new ATOM 623 N GLU A 44 -3.403 9.751 1.406 1.00 0.00 N ATOM 624 CA GLU A 44 -4.763 10.217 1.162 1.00 0.00 C ATOM 625 C GLU A 44 -4.865 10.917 -0.190 1.00 0.00 C ATOM 626 O GLU A 44 -5.837 10.739 -0.922 1.00 0.00 O ATOM 627 CB GLU A 44 -5.208 11.166 2.276 1.00 0.00 C ATOM 628 CG GLU A 44 -6.676 11.553 2.196 1.00 0.00 C ATOM 629 CD GLU A 44 -7.586 10.525 2.841 1.00 0.00 C ATOM 630 OE1 GLU A 44 -7.934 9.535 2.164 1.00 0.00 O ATOM 631 OE2 GLU A 44 -7.950 10.711 4.021 1.00 0.00 O ATOM 0 H GLU A 44 -2.955 10.165 2.224 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.421 9.348 1.151 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.017 10.695 3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.600 12.070 2.236 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.821 12.517 2.683 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.959 11.678 1.151 1.00 0.00 H new ATOM 638 N ALA A 45 -3.853 11.716 -0.513 1.00 0.00 N ATOM 639 CA ALA A 45 -3.827 12.443 -1.776 1.00 0.00 C ATOM 640 C ALA A 45 -3.802 11.484 -2.961 1.00 0.00 C ATOM 641 O ALA A 45 -4.373 11.768 -4.013 1.00 0.00 O ATOM 642 CB ALA A 45 -2.625 13.375 -1.824 1.00 0.00 C ATOM 0 H ALA A 45 -3.041 11.876 0.083 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.738 13.038 -1.843 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.618 13.911 -2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.686 14.090 -1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.709 12.792 -1.730 1.00 0.00 H new ATOM 648 N ALA A 46 -3.137 10.348 -2.783 1.00 0.00 N ATOM 649 CA ALA A 46 -3.039 9.346 -3.837 1.00 0.00 C ATOM 650 C ALA A 46 -4.397 8.714 -4.121 1.00 0.00 C ATOM 651 O ALA A 46 -4.666 8.271 -5.237 1.00 0.00 O ATOM 652 CB ALA A 46 -2.026 8.276 -3.457 1.00 0.00 C ATOM 0 H ALA A 46 -2.658 10.098 -1.918 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.701 9.843 -4.746 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.964 7.535 -4.254 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.048 8.736 -3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.339 7.790 -2.533 1.00 0.00 H new ATOM 658 N GLY A 47 -5.252 8.675 -3.103 1.00 0.00 N ATOM 659 CA GLY A 47 -6.572 8.094 -3.264 1.00 0.00 C ATOM 660 C GLY A 47 -6.699 6.747 -2.581 1.00 0.00 C ATOM 661 O GLY A 47 -7.575 5.950 -2.922 1.00 0.00 O ATOM 0 H GLY A 47 -5.054 9.036 -2.170 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.318 8.776 -2.857 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.789 7.981 -4.326 1.00 0.00 H new ATOM 665 N LEU A 48 -5.824 6.489 -1.615 1.00 0.00 N ATOM 666 CA LEU A 48 -5.841 5.228 -0.883 1.00 0.00 C ATOM 667 C LEU A 48 -7.158 5.051 -0.134 1.00 0.00 C ATOM 668 O LEU A 48 -7.991 5.957 -0.097 1.00 0.00 O ATOM 669 CB LEU A 48 -4.670 5.169 0.099 1.00 0.00 C ATOM 670 CG LEU A 48 -3.374 4.562 -0.438 1.00 0.00 C ATOM 671 CD1 LEU A 48 -2.403 4.284 0.700 1.00 0.00 C ATOM 672 CD2 LEU A 48 -3.664 3.287 -1.216 1.00 0.00 C ATOM 0 H LEU A 48 -5.093 7.137 -1.321 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.743 4.417 -1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.458 6.182 0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.982 4.595 0.972 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.913 5.281 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.486 3.852 0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.170 5.216 1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.856 3.585 1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.730 2.869 -1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.148 2.563 -0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.322 3.514 -2.055 1.00 0.00 H new ATOM 684 N LYS A 49 -7.339 3.879 0.465 1.00 0.00 N ATOM 685 CA LYS A 49 -8.552 3.583 1.218 1.00 0.00 C ATOM 686 C LYS A 49 -8.220 2.895 2.538 1.00 0.00 C ATOM 687 O LYS A 49 -7.297 2.084 2.610 1.00 0.00 O ATOM 688 CB LYS A 49 -9.487 2.698 0.390 1.00 0.00 C ATOM 689 CG LYS A 49 -10.372 3.476 -0.568 1.00 0.00 C ATOM 690 CD LYS A 49 -11.715 3.810 0.059 1.00 0.00 C ATOM 691 CE LYS A 49 -12.604 4.579 -0.905 1.00 0.00 C ATOM 692 NZ LYS A 49 -12.208 6.011 -1.003 1.00 0.00 N ATOM 0 H LYS A 49 -6.660 3.118 0.444 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.053 4.526 1.437 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.890 1.985 -0.178 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.118 2.119 1.065 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.869 4.397 -0.864 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.528 2.893 -1.475 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.215 2.890 0.362 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.559 4.400 0.962 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.552 4.120 -1.892 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.641 4.511 -0.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.838 6.501 -1.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.282 6.457 -0.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.227 6.077 -1.342 1.00 0.00 H new ATOM 706 N ASN A 50 -8.978 3.223 3.579 1.00 0.00 N ATOM 707 CA ASN A 50 -8.764 2.635 4.896 1.00 0.00 C ATOM 708 C ASN A 50 -9.135 1.156 4.899 1.00 0.00 C ATOM 709 O ASN A 50 -10.187 0.769 4.392 1.00 0.00 O ATOM 710 CB ASN A 50 -9.585 3.381 5.950 1.00 0.00 C ATOM 711 CG ASN A 50 -9.221 4.850 6.034 1.00 0.00 C ATOM 712 OD1 ASN A 50 -8.226 5.167 6.854 1.00 0.00 O flip ATOM 713 ND2 ASN A 50 -9.827 5.691 5.369 1.00 0.00 N flip ATOM 0 H ASN A 50 -9.746 3.893 3.536 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.705 2.725 5.139 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.645 3.285 5.715 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.431 2.915 6.923 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.586 5.403 4.751 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.570 6.676 5.436 1.00 0.00 H new ATOM 720 N ASN A 51 -8.263 0.333 5.474 1.00 0.00 N ATOM 721 CA ASN A 51 -8.499 -1.104 5.543 1.00 0.00 C ATOM 722 C ASN A 51 -8.270 -1.759 4.184 1.00 0.00 C ATOM 723 O ASN A 51 -8.870 -2.786 3.869 1.00 0.00 O ATOM 724 CB ASN A 51 -9.925 -1.385 6.022 1.00 0.00 C ATOM 725 CG ASN A 51 -10.338 -0.482 7.168 1.00 0.00 C ATOM 726 OD1 ASN A 51 -10.057 -0.768 8.332 1.00 0.00 O ATOM 727 ND2 ASN A 51 -11.011 0.616 6.842 1.00 0.00 N ATOM 0 H ASN A 51 -7.387 0.637 5.899 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.792 -1.529 6.256 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.617 -1.252 5.191 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.001 -2.426 6.337 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.317 1.262 7.570 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.222 0.813 5.864 1.00 0.00 H new ATOM 734 N ASP A 52 -7.396 -1.157 3.384 1.00 0.00 N ATOM 735 CA ASP A 52 -7.085 -1.682 2.059 1.00 0.00 C ATOM 736 C ASP A 52 -6.266 -2.965 2.162 1.00 0.00 C ATOM 737 O ASP A 52 -5.744 -3.297 3.227 1.00 0.00 O ATOM 738 CB ASP A 52 -6.323 -0.640 1.240 1.00 0.00 C ATOM 739 CG ASP A 52 -7.248 0.277 0.464 1.00 0.00 C ATOM 740 OD1 ASP A 52 -8.415 -0.110 0.239 1.00 0.00 O ATOM 741 OD2 ASP A 52 -6.807 1.381 0.083 1.00 0.00 O ATOM 0 H ASP A 52 -6.891 -0.306 3.630 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.024 -1.911 1.556 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.700 -0.043 1.906 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.653 -1.147 0.546 1.00 0.00 H new ATOM 746 N LEU A 53 -6.158 -3.683 1.049 1.00 0.00 N ATOM 747 CA LEU A 53 -5.403 -4.930 1.014 1.00 0.00 C ATOM 748 C LEU A 53 -4.378 -4.914 -0.115 1.00 0.00 C ATOM 749 O LEU A 53 -4.719 -5.111 -1.281 1.00 0.00 O ATOM 750 CB LEU A 53 -6.351 -6.118 0.840 1.00 0.00 C ATOM 751 CG LEU A 53 -5.780 -7.491 1.198 1.00 0.00 C ATOM 752 CD1 LEU A 53 -5.322 -7.516 2.648 1.00 0.00 C ATOM 753 CD2 LEU A 53 -6.811 -8.580 0.943 1.00 0.00 C ATOM 0 H LEU A 53 -6.584 -3.423 0.159 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.872 -5.032 1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.236 -5.944 1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.682 -6.144 -0.198 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.916 -7.682 0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.919 -8.500 2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.550 -6.762 2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.169 -7.304 3.301 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.388 -9.550 1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.695 -8.394 1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.090 -8.577 -0.111 1.00 0.00 H new ATOM 765 N VAL A 54 -3.118 -4.680 0.240 1.00 0.00 N ATOM 766 CA VAL A 54 -2.042 -4.642 -0.743 1.00 0.00 C ATOM 767 C VAL A 54 -1.445 -6.028 -0.958 1.00 0.00 C ATOM 768 O VAL A 54 -0.821 -6.594 -0.061 1.00 0.00 O ATOM 769 CB VAL A 54 -0.923 -3.675 -0.312 1.00 0.00 C ATOM 770 CG1 VAL A 54 0.114 -3.532 -1.416 1.00 0.00 C ATOM 771 CG2 VAL A 54 -1.505 -2.320 0.061 1.00 0.00 C ATOM 0 H VAL A 54 -2.818 -4.514 1.201 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.479 -4.289 -1.677 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.429 -4.088 0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.896 -2.845 -1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.553 -4.506 -1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.363 -3.142 -2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.701 -1.649 0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.025 -1.898 -0.799 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.206 -2.440 0.887 1.00 0.00 H new ATOM 781 N VAL A 55 -1.640 -6.571 -2.156 1.00 0.00 N ATOM 782 CA VAL A 55 -1.119 -7.891 -2.491 1.00 0.00 C ATOM 783 C VAL A 55 0.231 -7.788 -3.192 1.00 0.00 C ATOM 784 O VAL A 55 1.043 -8.711 -3.136 1.00 0.00 O ATOM 785 CB VAL A 55 -2.096 -8.667 -3.395 1.00 0.00 C ATOM 786 CG1 VAL A 55 -3.329 -9.089 -2.609 1.00 0.00 C ATOM 787 CG2 VAL A 55 -2.485 -7.828 -4.602 1.00 0.00 C ATOM 0 H VAL A 55 -2.155 -6.117 -2.910 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.997 -8.431 -1.552 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.596 -9.567 -3.753 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.008 -9.636 -3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.030 -9.730 -1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.833 -8.204 -2.221 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.175 -8.392 -5.230 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.967 -6.910 -4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.592 -7.581 -5.176 1.00 0.00 H new ATOM 797 N ALA A 56 0.464 -6.658 -3.852 1.00 0.00 N ATOM 798 CA ALA A 56 1.716 -6.432 -4.562 1.00 0.00 C ATOM 799 C ALA A 56 2.179 -4.987 -4.414 1.00 0.00 C ATOM 800 O ALA A 56 1.363 -4.074 -4.285 1.00 0.00 O ATOM 801 CB ALA A 56 1.562 -6.791 -6.033 1.00 0.00 C ATOM 0 H ALA A 56 -0.199 -5.885 -3.909 1.00 0.00 H new ATOM 0 HA ALA A 56 2.476 -7.076 -4.120 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.505 -6.617 -6.551 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.286 -7.842 -6.124 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.784 -6.172 -6.479 1.00 0.00 H new ATOM 807 N VAL A 57 3.493 -4.786 -4.434 1.00 0.00 N ATOM 808 CA VAL A 57 4.064 -3.451 -4.302 1.00 0.00 C ATOM 809 C VAL A 57 5.189 -3.232 -5.308 1.00 0.00 C ATOM 810 O VAL A 57 6.075 -4.072 -5.454 1.00 0.00 O ATOM 811 CB VAL A 57 4.607 -3.210 -2.881 1.00 0.00 C ATOM 812 CG1 VAL A 57 5.104 -1.780 -2.734 1.00 0.00 C ATOM 813 CG2 VAL A 57 3.539 -3.521 -1.843 1.00 0.00 C ATOM 0 H VAL A 57 4.182 -5.531 -4.540 1.00 0.00 H new ATOM 0 HA VAL A 57 3.260 -2.742 -4.500 1.00 0.00 H new ATOM 0 HB VAL A 57 5.450 -3.881 -2.715 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.484 -1.629 -1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.902 -1.597 -3.453 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.282 -1.088 -2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.940 -3.345 -0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.675 -2.877 -2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.236 -4.564 -1.934 1.00 0.00 H new ATOM 823 N ASN A 58 5.145 -2.098 -5.998 1.00 0.00 N ATOM 824 CA ASN A 58 6.162 -1.768 -6.991 1.00 0.00 C ATOM 825 C ASN A 58 6.264 -2.863 -8.049 1.00 0.00 C ATOM 826 O ASN A 58 7.313 -3.050 -8.664 1.00 0.00 O ATOM 827 CB ASN A 58 7.519 -1.568 -6.315 1.00 0.00 C ATOM 828 CG ASN A 58 7.740 -0.134 -5.874 1.00 0.00 C ATOM 829 OD1 ASN A 58 6.975 0.762 -6.232 1.00 0.00 O ATOM 830 ND2 ASN A 58 8.790 0.090 -5.093 1.00 0.00 N ATOM 0 H ASN A 58 4.417 -1.392 -5.889 1.00 0.00 H new ATOM 0 HA ASN A 58 5.868 -0.840 -7.481 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.591 -2.227 -5.449 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.312 -1.859 -7.004 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.989 1.035 -4.765 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.397 -0.683 -4.821 1.00 0.00 H new ATOM 837 N GLY A 59 5.166 -3.585 -8.254 1.00 0.00 N ATOM 838 CA GLY A 59 5.153 -4.652 -9.238 1.00 0.00 C ATOM 839 C GLY A 59 5.819 -5.916 -8.731 1.00 0.00 C ATOM 840 O GLY A 59 6.299 -6.733 -9.517 1.00 0.00 O ATOM 0 H GLY A 59 4.286 -3.450 -7.756 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.122 -4.874 -9.515 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.661 -4.315 -10.142 1.00 0.00 H new ATOM 844 N LYS A 60 5.852 -6.078 -7.412 1.00 0.00 N ATOM 845 CA LYS A 60 6.465 -7.250 -6.800 1.00 0.00 C ATOM 846 C LYS A 60 5.528 -7.880 -5.773 1.00 0.00 C ATOM 847 O LYS A 60 4.757 -7.184 -5.114 1.00 0.00 O ATOM 848 CB LYS A 60 7.788 -6.870 -6.132 1.00 0.00 C ATOM 849 CG LYS A 60 8.851 -6.403 -7.112 1.00 0.00 C ATOM 850 CD LYS A 60 9.393 -7.556 -7.940 1.00 0.00 C ATOM 851 CE LYS A 60 10.087 -7.061 -9.199 1.00 0.00 C ATOM 852 NZ LYS A 60 11.338 -6.316 -8.886 1.00 0.00 N ATOM 0 H LYS A 60 5.461 -5.411 -6.747 1.00 0.00 H new ATOM 0 HA LYS A 60 6.659 -7.980 -7.586 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.604 -6.080 -5.404 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.167 -7.730 -5.580 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.430 -5.646 -7.773 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.668 -5.931 -6.566 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.095 -8.137 -7.341 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.577 -8.225 -8.212 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.321 -7.909 -9.842 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.409 -6.415 -9.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.781 -5.995 -9.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.112 -5.492 -8.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.995 -6.940 -8.376 1.00 0.00 H new ATOM 866 N SER A 61 5.603 -9.201 -5.643 1.00 0.00 N ATOM 867 CA SER A 61 4.760 -9.924 -4.698 1.00 0.00 C ATOM 868 C SER A 61 5.183 -9.636 -3.261 1.00 0.00 C ATOM 869 O SER A 61 6.298 -9.963 -2.853 1.00 0.00 O ATOM 870 CB SER A 61 4.827 -11.428 -4.970 1.00 0.00 C ATOM 871 OG SER A 61 6.160 -11.843 -5.215 1.00 0.00 O ATOM 0 H SER A 61 6.238 -9.792 -6.180 1.00 0.00 H new ATOM 0 HA SER A 61 3.733 -9.583 -4.831 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.424 -11.973 -4.117 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.203 -11.674 -5.829 1.00 0.00 H new ATOM 0 HG SER A 61 6.760 -11.417 -4.567 1.00 0.00 H new ATOM 877 N VAL A 62 4.285 -9.022 -2.498 1.00 0.00 N ATOM 878 CA VAL A 62 4.564 -8.690 -1.106 1.00 0.00 C ATOM 879 C VAL A 62 3.637 -9.449 -0.163 1.00 0.00 C ATOM 880 O VAL A 62 3.933 -9.606 1.021 1.00 0.00 O ATOM 881 CB VAL A 62 4.414 -7.179 -0.848 1.00 0.00 C ATOM 882 CG1 VAL A 62 4.997 -6.380 -2.004 1.00 0.00 C ATOM 883 CG2 VAL A 62 2.953 -6.819 -0.624 1.00 0.00 C ATOM 0 H VAL A 62 3.358 -8.744 -2.820 1.00 0.00 H new ATOM 0 HA VAL A 62 5.596 -8.984 -0.912 1.00 0.00 H new ATOM 0 HB VAL A 62 4.969 -6.925 0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.882 -5.315 -1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.055 -6.617 -2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.472 -6.635 -2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.866 -5.748 -0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.373 -7.086 -1.507 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.572 -7.365 0.239 1.00 0.00 H new ATOM 893 N GLU A 63 2.514 -9.919 -0.698 1.00 0.00 N ATOM 894 CA GLU A 63 1.543 -10.662 0.096 1.00 0.00 C ATOM 895 C GLU A 63 2.195 -11.870 0.763 1.00 0.00 C ATOM 896 O GLU A 63 1.701 -12.381 1.767 1.00 0.00 O ATOM 897 CB GLU A 63 0.375 -11.119 -0.781 1.00 0.00 C ATOM 898 CG GLU A 63 0.641 -12.420 -1.519 1.00 0.00 C ATOM 899 CD GLU A 63 1.657 -12.262 -2.633 1.00 0.00 C ATOM 900 OE1 GLU A 63 2.854 -12.084 -2.324 1.00 0.00 O ATOM 901 OE2 GLU A 63 1.255 -12.316 -3.814 1.00 0.00 O ATOM 0 H GLU A 63 2.255 -9.798 -1.677 1.00 0.00 H new ATOM 0 HA GLU A 63 1.166 -9.998 0.874 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.511 -11.239 -0.158 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.150 -10.338 -1.508 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.997 -13.168 -0.811 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.294 -12.795 -1.936 1.00 0.00 H new ATOM 908 N ALA A 64 3.309 -12.322 0.194 1.00 0.00 N ATOM 909 CA ALA A 64 4.030 -13.469 0.733 1.00 0.00 C ATOM 910 C ALA A 64 5.022 -13.037 1.808 1.00 0.00 C ATOM 911 O ALA A 64 5.452 -13.846 2.631 1.00 0.00 O ATOM 912 CB ALA A 64 4.749 -14.212 -0.384 1.00 0.00 C ATOM 0 H ALA A 64 3.731 -11.912 -0.639 1.00 0.00 H new ATOM 0 HA ALA A 64 3.305 -14.140 1.193 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.283 -15.066 0.032 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.021 -14.561 -1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.458 -13.542 -0.869 1.00 0.00 H new ATOM 918 N LEU A 65 5.383 -11.759 1.795 1.00 0.00 N ATOM 919 CA LEU A 65 6.325 -11.220 2.769 1.00 0.00 C ATOM 920 C LEU A 65 5.627 -10.913 4.090 1.00 0.00 C ATOM 921 O LEU A 65 4.406 -11.026 4.199 1.00 0.00 O ATOM 922 CB LEU A 65 6.986 -9.953 2.222 1.00 0.00 C ATOM 923 CG LEU A 65 8.249 -10.162 1.386 1.00 0.00 C ATOM 924 CD1 LEU A 65 8.606 -8.891 0.631 1.00 0.00 C ATOM 925 CD2 LEU A 65 9.407 -10.602 2.271 1.00 0.00 C ATOM 0 H LEU A 65 5.037 -11.076 1.120 1.00 0.00 H new ATOM 0 HA LEU A 65 7.092 -11.973 2.951 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.256 -9.420 1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.234 -9.305 3.063 1.00 0.00 H new ATOM 0 HG LEU A 65 8.054 -10.950 0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.507 -9.059 0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.785 -8.619 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.782 -8.083 1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.298 -10.746 1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.602 -9.836 3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.151 -11.539 2.766 1.00 0.00 H new ATOM 937 N ASP A 66 6.410 -10.524 5.090 1.00 0.00 N ATOM 938 CA ASP A 66 5.867 -10.198 6.404 1.00 0.00 C ATOM 939 C ASP A 66 5.799 -8.687 6.603 1.00 0.00 C ATOM 940 O ASP A 66 6.315 -7.919 5.791 1.00 0.00 O ATOM 941 CB ASP A 66 6.720 -10.832 7.504 1.00 0.00 C ATOM 942 CG ASP A 66 6.528 -12.333 7.592 1.00 0.00 C ATOM 943 OD1 ASP A 66 5.379 -12.795 7.430 1.00 0.00 O ATOM 944 OD2 ASP A 66 7.527 -13.046 7.822 1.00 0.00 O ATOM 0 H ASP A 66 7.423 -10.427 5.016 1.00 0.00 H new ATOM 0 HA ASP A 66 4.856 -10.601 6.462 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.771 -10.613 7.316 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.467 -10.379 8.463 1.00 0.00 H new ATOM 949 N HIS A 67 5.158 -8.267 7.690 1.00 0.00 N ATOM 950 CA HIS A 67 5.021 -6.847 7.996 1.00 0.00 C ATOM 951 C HIS A 67 6.279 -6.082 7.596 1.00 0.00 C ATOM 952 O HIS A 67 6.210 -5.094 6.864 1.00 0.00 O ATOM 953 CB HIS A 67 4.743 -6.650 9.486 1.00 0.00 C ATOM 954 CG HIS A 67 4.696 -5.212 9.902 1.00 0.00 C ATOM 955 ND1 HIS A 67 5.542 -4.188 9.642 1.00 0.00 N flip ATOM 956 CD2 HIS A 67 3.688 -4.686 10.682 1.00 0.00 C flip ATOM 957 CE1 HIS A 67 5.035 -3.073 10.263 1.00 0.00 C flip ATOM 958 NE2 HIS A 67 3.915 -3.400 10.883 1.00 0.00 N flip ATOM 0 H HIS A 67 4.726 -8.889 8.373 1.00 0.00 H new ATOM 0 HA HIS A 67 4.181 -6.456 7.422 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.793 -7.123 9.736 1.00 0.00 H new ATOM 0 HB3 HIS A 67 5.515 -7.161 10.062 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.845 -5.239 11.068 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.479 -2.089 10.247 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.326 -2.767 11.425 1.00 0.00 H new ATOM 967 N ASP A 68 7.426 -6.544 8.081 1.00 0.00 N ATOM 968 CA ASP A 68 8.700 -5.903 7.773 1.00 0.00 C ATOM 969 C ASP A 68 9.069 -6.103 6.307 1.00 0.00 C ATOM 970 O ASP A 68 9.520 -5.175 5.637 1.00 0.00 O ATOM 971 CB ASP A 68 9.805 -6.460 8.671 1.00 0.00 C ATOM 972 CG ASP A 68 11.027 -5.563 8.710 1.00 0.00 C ATOM 973 OD1 ASP A 68 10.952 -4.486 9.339 1.00 0.00 O ATOM 974 OD2 ASP A 68 12.057 -5.938 8.113 1.00 0.00 O ATOM 0 H ASP A 68 7.500 -7.360 8.689 1.00 0.00 H new ATOM 0 HA ASP A 68 8.595 -4.834 7.959 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.418 -6.586 9.682 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.095 -7.449 8.315 1.00 0.00 H new ATOM 979 N GLY A 69 8.874 -7.322 5.814 1.00 0.00 N ATOM 980 CA GLY A 69 9.193 -7.623 4.430 1.00 0.00 C ATOM 981 C GLY A 69 8.532 -6.662 3.461 1.00 0.00 C ATOM 982 O GLY A 69 9.203 -6.042 2.636 1.00 0.00 O ATOM 0 H GLY A 69 8.501 -8.107 6.348 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.274 -7.586 4.293 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.877 -8.641 4.200 1.00 0.00 H new ATOM 986 N VAL A 70 7.213 -6.539 3.560 1.00 0.00 N ATOM 987 CA VAL A 70 6.461 -5.647 2.685 1.00 0.00 C ATOM 988 C VAL A 70 6.826 -4.189 2.941 1.00 0.00 C ATOM 989 O VAL A 70 7.159 -3.450 2.014 1.00 0.00 O ATOM 990 CB VAL A 70 4.942 -5.825 2.874 1.00 0.00 C ATOM 991 CG1 VAL A 70 4.176 -4.961 1.883 1.00 0.00 C ATOM 992 CG2 VAL A 70 4.555 -7.289 2.727 1.00 0.00 C ATOM 0 H VAL A 70 6.643 -7.045 4.237 1.00 0.00 H new ATOM 0 HA VAL A 70 6.726 -5.910 1.661 1.00 0.00 H new ATOM 0 HB VAL A 70 4.678 -5.502 3.881 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.105 -5.100 2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.431 -3.913 2.040 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.442 -5.250 0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.479 -7.396 2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.832 -7.640 1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.077 -7.881 3.479 1.00 0.00 H new ATOM 1002 N VAL A 71 6.762 -3.782 4.204 1.00 0.00 N ATOM 1003 CA VAL A 71 7.088 -2.412 4.583 1.00 0.00 C ATOM 1004 C VAL A 71 8.498 -2.039 4.138 1.00 0.00 C ATOM 1005 O VAL A 71 8.862 -0.864 4.117 1.00 0.00 O ATOM 1006 CB VAL A 71 6.971 -2.207 6.105 1.00 0.00 C ATOM 1007 CG1 VAL A 71 7.366 -0.789 6.485 1.00 0.00 C ATOM 1008 CG2 VAL A 71 5.559 -2.521 6.577 1.00 0.00 C ATOM 0 H VAL A 71 6.487 -4.381 4.983 1.00 0.00 H new ATOM 0 HA VAL A 71 6.368 -1.765 4.081 1.00 0.00 H new ATOM 0 HB VAL A 71 7.657 -2.894 6.601 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.277 -0.663 7.564 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.397 -0.605 6.182 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.708 -0.081 5.982 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.494 -2.371 7.655 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.852 -1.860 6.075 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.318 -3.557 6.340 1.00 0.00 H new ATOM 1018 N GLU A 72 9.287 -3.049 3.784 1.00 0.00 N ATOM 1019 CA GLU A 72 10.658 -2.826 3.339 1.00 0.00 C ATOM 1020 C GLU A 72 10.686 -2.267 1.920 1.00 0.00 C ATOM 1021 O GLU A 72 11.291 -1.226 1.664 1.00 0.00 O ATOM 1022 CB GLU A 72 11.455 -4.131 3.401 1.00 0.00 C ATOM 1023 CG GLU A 72 12.961 -3.926 3.374 1.00 0.00 C ATOM 1024 CD GLU A 72 13.729 -5.219 3.565 1.00 0.00 C ATOM 1025 OE1 GLU A 72 13.287 -6.257 3.029 1.00 0.00 O ATOM 1026 OE2 GLU A 72 14.773 -5.192 4.249 1.00 0.00 O ATOM 0 H GLU A 72 9.001 -4.028 3.797 1.00 0.00 H new ATOM 0 HA GLU A 72 11.116 -2.096 4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.186 -4.668 4.310 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.168 -4.763 2.561 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.246 -3.476 2.423 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.242 -3.222 4.157 1.00 0.00 H new ATOM 1033 N MET A 73 10.026 -2.965 1.002 1.00 0.00 N ATOM 1034 CA MET A 73 9.975 -2.538 -0.392 1.00 0.00 C ATOM 1035 C MET A 73 9.687 -1.043 -0.492 1.00 0.00 C ATOM 1036 O MET A 73 10.376 -0.315 -1.207 1.00 0.00 O ATOM 1037 CB MET A 73 8.906 -3.327 -1.150 1.00 0.00 C ATOM 1038 CG MET A 73 9.155 -4.826 -1.167 1.00 0.00 C ATOM 1039 SD MET A 73 10.499 -5.294 -2.275 1.00 0.00 S ATOM 1040 CE MET A 73 9.646 -6.408 -3.389 1.00 0.00 C ATOM 0 H MET A 73 9.519 -3.828 1.198 1.00 0.00 H new ATOM 0 HA MET A 73 10.948 -2.734 -0.842 1.00 0.00 H new ATOM 0 HB2 MET A 73 7.934 -3.134 -0.697 1.00 0.00 H new ATOM 0 HB3 MET A 73 8.857 -2.963 -2.176 1.00 0.00 H new ATOM 0 HG2 MET A 73 9.388 -5.163 -0.157 1.00 0.00 H new ATOM 0 HG3 MET A 73 8.243 -5.339 -1.472 1.00 0.00 H new ATOM 0 HE1 MET A 73 10.056 -6.303 -4.393 1.00 0.00 H new ATOM 0 HE2 MET A 73 9.779 -7.435 -3.049 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.584 -6.165 -3.403 1.00 0.00 H new ATOM 1050 N ILE A 74 8.665 -0.592 0.229 1.00 0.00 N ATOM 1051 CA ILE A 74 8.288 0.815 0.221 1.00 0.00 C ATOM 1052 C ILE A 74 9.492 1.709 0.496 1.00 0.00 C ATOM 1053 O ILE A 74 9.651 2.762 -0.122 1.00 0.00 O ATOM 1054 CB ILE A 74 7.194 1.111 1.264 1.00 0.00 C ATOM 1055 CG1 ILE A 74 5.871 0.466 0.845 1.00 0.00 C ATOM 1056 CG2 ILE A 74 7.025 2.612 1.443 1.00 0.00 C ATOM 1057 CD1 ILE A 74 4.922 0.230 1.999 1.00 0.00 C ATOM 0 H ILE A 74 8.084 -1.181 0.826 1.00 0.00 H new ATOM 0 HA ILE A 74 7.898 1.031 -0.774 1.00 0.00 H new ATOM 0 HB ILE A 74 7.498 0.683 2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.383 1.104 0.108 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.079 -0.486 0.356 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.248 2.805 2.183 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.966 3.046 1.782 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.740 3.062 0.492 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.006 -0.229 1.628 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.391 -0.432 2.726 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.684 1.181 2.475 1.00 0.00 H new ATOM 1069 N ARG A 75 10.339 1.281 1.426 1.00 0.00 N ATOM 1070 CA ARG A 75 11.530 2.042 1.783 1.00 0.00 C ATOM 1071 C ARG A 75 12.586 1.945 0.686 1.00 0.00 C ATOM 1072 O ARG A 75 12.963 2.949 0.081 1.00 0.00 O ATOM 1073 CB ARG A 75 12.107 1.536 3.107 1.00 0.00 C ATOM 1074 CG ARG A 75 11.210 1.805 4.304 1.00 0.00 C ATOM 1075 CD ARG A 75 11.635 0.986 5.513 1.00 0.00 C ATOM 1076 NE ARG A 75 12.879 1.479 6.099 1.00 0.00 N ATOM 1077 CZ ARG A 75 12.978 2.633 6.749 1.00 0.00 C ATOM 1078 NH1 ARG A 75 11.913 3.408 6.897 1.00 0.00 N ATOM 1079 NH2 ARG A 75 14.145 3.013 7.254 1.00 0.00 N ATOM 0 H ARG A 75 10.223 0.411 1.946 1.00 0.00 H new ATOM 0 HA ARG A 75 11.242 3.087 1.896 1.00 0.00 H new ATOM 0 HB2 ARG A 75 12.284 0.463 3.030 1.00 0.00 H new ATOM 0 HB3 ARG A 75 13.075 2.008 3.276 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.241 2.866 4.552 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.178 1.568 4.047 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.845 1.012 6.264 1.00 0.00 H new ATOM 0 HD3 ARG A 75 11.761 -0.056 5.219 1.00 0.00 H new ATOM 0 HE ARG A 75 13.717 0.906 6.004 1.00 0.00 H new ATOM 0 HH11 ARG A 75 11.014 3.119 6.511 1.00 0.00 H new ATOM 0 HH12 ARG A 75 11.992 4.294 7.397 1.00 0.00 H new ATOM 0 HH21 ARG A 75 14.967 2.419 7.143 1.00 0.00 H new ATOM 0 HH22 ARG A 75 14.220 3.899 7.753 1.00 0.00 H new ATOM 1093 N LYS A 76 13.061 0.730 0.435 1.00 0.00 N ATOM 1094 CA LYS A 76 14.073 0.500 -0.590 1.00 0.00 C ATOM 1095 C LYS A 76 13.610 1.034 -1.941 1.00 0.00 C ATOM 1096 O LYS A 76 14.418 1.249 -2.844 1.00 0.00 O ATOM 1097 CB LYS A 76 14.387 -0.993 -0.700 1.00 0.00 C ATOM 1098 CG LYS A 76 13.151 -1.867 -0.825 1.00 0.00 C ATOM 1099 CD LYS A 76 13.374 -3.239 -0.211 1.00 0.00 C ATOM 1100 CE LYS A 76 13.915 -4.226 -1.233 1.00 0.00 C ATOM 1101 NZ LYS A 76 15.352 -3.978 -1.537 1.00 0.00 N ATOM 0 H LYS A 76 12.761 -0.111 0.928 1.00 0.00 H new ATOM 0 HA LYS A 76 14.977 1.034 -0.299 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.028 -1.158 -1.566 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.953 -1.302 0.179 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.309 -1.380 -0.334 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.887 -1.977 -1.877 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.072 -3.157 0.622 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.435 -3.613 0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.793 -5.242 -0.857 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.332 -4.154 -2.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.772 -4.834 -1.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.433 -3.191 -2.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.856 -3.736 -0.660 1.00 0.00 H new ATOM 1115 N GLY A 77 12.304 1.247 -2.073 1.00 0.00 N ATOM 1116 CA GLY A 77 11.757 1.756 -3.317 1.00 0.00 C ATOM 1117 C GLY A 77 11.821 3.268 -3.404 1.00 0.00 C ATOM 1118 O GLY A 77 10.900 3.907 -3.910 1.00 0.00 O ATOM 0 H GLY A 77 11.615 1.076 -1.340 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.304 1.324 -4.155 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.720 1.433 -3.413 1.00 0.00 H new ATOM 1122 N GLY A 78 12.913 3.842 -2.907 1.00 0.00 N ATOM 1123 CA GLY A 78 13.072 5.284 -2.938 1.00 0.00 C ATOM 1124 C GLY A 78 12.037 6.000 -2.094 1.00 0.00 C ATOM 1125 O GLY A 78 11.485 5.425 -1.156 1.00 0.00 O ATOM 0 H GLY A 78 13.690 3.334 -2.484 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.069 5.544 -2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.000 5.632 -3.968 1.00 0.00 H new ATOM 1129 N ASP A 79 11.773 7.259 -2.427 1.00 0.00 N ATOM 1130 CA ASP A 79 10.797 8.056 -1.692 1.00 0.00 C ATOM 1131 C ASP A 79 9.380 7.756 -2.171 1.00 0.00 C ATOM 1132 O ASP A 79 8.421 7.871 -1.409 1.00 0.00 O ATOM 1133 CB ASP A 79 11.099 9.547 -1.853 1.00 0.00 C ATOM 1134 CG ASP A 79 12.468 9.922 -1.320 1.00 0.00 C ATOM 1135 OD1 ASP A 79 12.838 9.425 -0.235 1.00 0.00 O ATOM 1136 OD2 ASP A 79 13.168 10.711 -1.987 1.00 0.00 O ATOM 0 H ASP A 79 12.221 7.750 -3.201 1.00 0.00 H new ATOM 0 HA ASP A 79 10.868 7.791 -0.637 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.037 9.815 -2.908 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.338 10.127 -1.331 1.00 0.00 H new ATOM 1141 N GLN A 80 9.258 7.373 -3.437 1.00 0.00 N ATOM 1142 CA GLN A 80 7.957 7.059 -4.017 1.00 0.00 C ATOM 1143 C GLN A 80 7.864 5.579 -4.374 1.00 0.00 C ATOM 1144 O GLN A 80 8.863 4.947 -4.719 1.00 0.00 O ATOM 1145 CB GLN A 80 7.711 7.913 -5.262 1.00 0.00 C ATOM 1146 CG GLN A 80 8.635 7.578 -6.422 1.00 0.00 C ATOM 1147 CD GLN A 80 8.336 8.398 -7.662 1.00 0.00 C ATOM 1148 OE1 GLN A 80 9.186 9.147 -8.144 1.00 0.00 O ATOM 1149 NE2 GLN A 80 7.124 8.261 -8.185 1.00 0.00 N ATOM 0 H GLN A 80 10.043 7.272 -4.081 1.00 0.00 H new ATOM 0 HA GLN A 80 7.192 7.284 -3.274 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.677 7.784 -5.583 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.835 8.964 -5.002 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.668 7.748 -6.119 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.543 6.518 -6.661 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.450 7.629 -7.753 1.00 0.00 H new ATOM 0 HE22 GLN A 80 6.866 8.788 -9.019 1.00 0.00 H new ATOM 1158 N THR A 81 6.656 5.030 -4.290 1.00 0.00 N ATOM 1159 CA THR A 81 6.432 3.624 -4.602 1.00 0.00 C ATOM 1160 C THR A 81 4.990 3.380 -5.034 1.00 0.00 C ATOM 1161 O THR A 81 4.071 4.064 -4.582 1.00 0.00 O ATOM 1162 CB THR A 81 6.754 2.722 -3.396 1.00 0.00 C ATOM 1163 OG1 THR A 81 6.582 1.346 -3.753 1.00 0.00 O ATOM 1164 CG2 THR A 81 5.858 3.060 -2.213 1.00 0.00 C ATOM 0 H THR A 81 5.818 5.538 -4.008 1.00 0.00 H new ATOM 0 HA THR A 81 7.103 3.372 -5.423 1.00 0.00 H new ATOM 0 HB THR A 81 7.791 2.895 -3.108 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.371 1.280 -4.708 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.104 2.410 -1.373 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.013 4.100 -1.925 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.815 2.913 -2.493 1.00 0.00 H new ATOM 1172 N THR A 82 4.798 2.400 -5.912 1.00 0.00 N ATOM 1173 CA THR A 82 3.468 2.066 -6.405 1.00 0.00 C ATOM 1174 C THR A 82 2.848 0.935 -5.592 1.00 0.00 C ATOM 1175 O THR A 82 3.530 -0.019 -5.217 1.00 0.00 O ATOM 1176 CB THR A 82 3.506 1.655 -7.889 1.00 0.00 C ATOM 1177 OG1 THR A 82 4.101 2.697 -8.671 1.00 0.00 O ATOM 1178 CG2 THR A 82 2.106 1.363 -8.406 1.00 0.00 C ATOM 0 H THR A 82 5.547 1.824 -6.296 1.00 0.00 H new ATOM 0 HA THR A 82 2.857 2.963 -6.299 1.00 0.00 H new ATOM 0 HB THR A 82 4.105 0.748 -7.977 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.123 2.427 -9.613 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.159 1.075 -9.456 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.667 0.550 -7.828 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.487 2.255 -8.305 1.00 0.00 H new ATOM 1186 N LEU A 83 1.552 1.048 -5.324 1.00 0.00 N ATOM 1187 CA LEU A 83 0.839 0.033 -4.556 1.00 0.00 C ATOM 1188 C LEU A 83 -0.279 -0.592 -5.384 1.00 0.00 C ATOM 1189 O LEU A 83 -0.875 0.065 -6.239 1.00 0.00 O ATOM 1190 CB LEU A 83 0.261 0.646 -3.278 1.00 0.00 C ATOM 1191 CG LEU A 83 1.041 1.819 -2.684 1.00 0.00 C ATOM 1192 CD1 LEU A 83 0.447 2.232 -1.346 1.00 0.00 C ATOM 1193 CD2 LEU A 83 2.511 1.458 -2.529 1.00 0.00 C ATOM 0 H LEU A 83 0.974 1.832 -5.627 1.00 0.00 H new ATOM 0 HA LEU A 83 1.548 -0.750 -4.289 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.755 0.980 -3.487 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.191 -0.137 -2.523 1.00 0.00 H new ATOM 0 HG LEU A 83 0.966 2.664 -3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.015 3.068 -0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.591 2.533 -1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.491 1.391 -0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.051 2.305 -2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.607 0.598 -1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.930 1.212 -3.505 1.00 0.00 H new ATOM 1205 N LEU A 84 -0.560 -1.864 -5.125 1.00 0.00 N ATOM 1206 CA LEU A 84 -1.608 -2.578 -5.845 1.00 0.00 C ATOM 1207 C LEU A 84 -2.596 -3.218 -4.875 1.00 0.00 C ATOM 1208 O LEU A 84 -2.346 -4.298 -4.340 1.00 0.00 O ATOM 1209 CB LEU A 84 -0.995 -3.650 -6.747 1.00 0.00 C ATOM 1210 CG LEU A 84 -1.969 -4.399 -7.658 1.00 0.00 C ATOM 1211 CD1 LEU A 84 -2.632 -3.439 -8.634 1.00 0.00 C ATOM 1212 CD2 LEU A 84 -1.251 -5.512 -8.407 1.00 0.00 C ATOM 0 H LEU A 84 -0.077 -2.422 -4.421 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.146 -1.858 -6.461 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.234 -3.180 -7.370 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.485 -4.379 -6.117 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.745 -4.848 -7.037 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.322 -3.989 -9.274 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.181 -2.678 -8.080 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.869 -2.961 -9.249 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.960 -6.034 -9.050 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.454 -5.085 -9.016 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.824 -6.215 -7.692 1.00 0.00 H new ATOM 1224 N VAL A 85 -3.721 -2.544 -4.654 1.00 0.00 N ATOM 1225 CA VAL A 85 -4.749 -3.049 -3.751 1.00 0.00 C ATOM 1226 C VAL A 85 -5.965 -3.545 -4.525 1.00 0.00 C ATOM 1227 O VAL A 85 -6.257 -3.062 -5.620 1.00 0.00 O ATOM 1228 CB VAL A 85 -5.197 -1.966 -2.751 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -3.995 -1.367 -2.037 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -6.000 -0.886 -3.460 1.00 0.00 C ATOM 0 H VAL A 85 -3.943 -1.648 -5.088 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.308 -3.881 -3.202 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.838 -2.431 -2.002 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.332 -0.604 -1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.466 -2.151 -1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.325 -0.916 -2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.308 -0.129 -2.739 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.385 -0.423 -4.231 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.883 -1.331 -3.919 1.00 0.00 H new ATOM 1240 N LEU A 86 -6.671 -4.512 -3.949 1.00 0.00 N ATOM 1241 CA LEU A 86 -7.857 -5.075 -4.585 1.00 0.00 C ATOM 1242 C LEU A 86 -9.108 -4.299 -4.187 1.00 0.00 C ATOM 1243 O LEU A 86 -9.224 -3.826 -3.056 1.00 0.00 O ATOM 1244 CB LEU A 86 -8.014 -6.548 -4.203 1.00 0.00 C ATOM 1245 CG LEU A 86 -7.327 -7.557 -5.124 1.00 0.00 C ATOM 1246 CD1 LEU A 86 -8.028 -7.614 -6.472 1.00 0.00 C ATOM 1247 CD2 LEU A 86 -5.857 -7.203 -5.300 1.00 0.00 C ATOM 0 H LEU A 86 -6.443 -4.922 -3.043 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.732 -4.997 -5.665 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.626 -6.684 -3.194 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.078 -6.783 -4.169 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.391 -8.543 -4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.525 -8.337 -7.114 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.066 -7.915 -6.330 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.997 -6.630 -6.940 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.384 -7.931 -5.958 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.772 -6.209 -5.738 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.361 -7.215 -4.329 1.00 0.00 H new