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= -0.237 K(o=-1.3,f=-3.8!) USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -106:sc= 0.0338 (180deg=-0.0698) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.203 K(o=-0.2,f=-1.7!) USER MOD Single : A 19 TYR OH : rot -106:sc= 0.265 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -1.15 K(o=-1.1,f=-4.7!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.016 X(o=-0.016,f=-0.27) USER MOD Single : A 35 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00106) USER MOD Single : A 41 SER OG : rot -122:sc= 0.986 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.138 F(o=-0.75,f=-0.14) USER MOD Single : A 51 ASN : amide:sc= -0.573 X(o=-0.57,f=-0.63) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -1.01 F(o=-2.4!,f=-1) USER MOD Single : A 73 MET CE :methyl 148:sc= -0.684 (180deg=-2.19!) USER MOD Single : A 76 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.204) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -7.633 -5.284 -9.029 1.00 0.00 N ATOM 60 CA GLY A 7 -6.597 -4.614 -8.265 1.00 0.00 C ATOM 61 C GLY A 7 -6.294 -3.226 -8.793 1.00 0.00 C ATOM 62 O GLY A 7 -5.914 -3.064 -9.953 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.907 -4.543 -7.222 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.688 -5.214 -8.287 1.00 0.00 H new ATOM 66 N ARG A 8 -6.462 -2.220 -7.940 1.00 0.00 N ATOM 67 CA ARG A 8 -6.206 -0.839 -8.328 1.00 0.00 C ATOM 68 C ARG A 8 -4.731 -0.489 -8.152 1.00 0.00 C ATOM 69 O ARG A 8 -4.015 -1.137 -7.389 1.00 0.00 O ATOM 70 CB ARG A 8 -7.070 0.114 -7.500 1.00 0.00 C ATOM 71 CG ARG A 8 -6.751 0.089 -6.014 1.00 0.00 C ATOM 72 CD ARG A 8 -7.690 0.990 -5.227 1.00 0.00 C ATOM 73 NE ARG A 8 -7.369 2.404 -5.404 1.00 0.00 N ATOM 74 CZ ARG A 8 -7.818 3.139 -6.415 1.00 0.00 C ATOM 75 NH1 ARG A 8 -8.605 2.597 -7.334 1.00 0.00 N ATOM 76 NH2 ARG A 8 -7.482 4.419 -6.507 1.00 0.00 N ATOM 0 H ARG A 8 -6.774 -2.336 -6.976 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.464 -0.730 -9.381 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.938 1.129 -7.874 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.119 -0.144 -7.642 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.828 -0.932 -5.641 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.721 0.409 -5.856 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.717 0.809 -5.545 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.634 0.735 -4.169 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.767 2.852 -4.713 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.867 1.614 -7.265 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.949 3.163 -8.110 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.878 4.840 -5.801 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -7.827 4.982 -7.284 1.00 0.00 H new ATOM 90 N VAL A 9 -4.283 0.541 -8.864 1.00 0.00 N ATOM 91 CA VAL A 9 -2.895 0.978 -8.786 1.00 0.00 C ATOM 92 C VAL A 9 -2.778 2.312 -8.058 1.00 0.00 C ATOM 93 O VAL A 9 -3.461 3.278 -8.397 1.00 0.00 O ATOM 94 CB VAL A 9 -2.270 1.114 -10.188 1.00 0.00 C ATOM 95 CG1 VAL A 9 -0.858 1.671 -10.091 1.00 0.00 C ATOM 96 CG2 VAL A 9 -2.274 -0.228 -10.905 1.00 0.00 C ATOM 0 H VAL A 9 -4.862 1.088 -9.501 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.354 0.214 -8.227 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.872 1.813 -10.769 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.433 1.760 -11.091 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.886 2.653 -9.620 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.242 0.999 -9.493 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.829 -0.114 -11.894 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.696 -0.950 -10.328 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.300 -0.583 -11.008 1.00 0.00 H new ATOM 106 N VAL A 10 -1.907 2.359 -7.055 1.00 0.00 N ATOM 107 CA VAL A 10 -1.698 3.575 -6.279 1.00 0.00 C ATOM 108 C VAL A 10 -0.264 4.073 -6.413 1.00 0.00 C ATOM 109 O VAL A 10 0.666 3.284 -6.575 1.00 0.00 O ATOM 110 CB VAL A 10 -2.017 3.352 -4.789 1.00 0.00 C ATOM 111 CG1 VAL A 10 -2.284 4.679 -4.095 1.00 0.00 C ATOM 112 CG2 VAL A 10 -3.202 2.411 -4.633 1.00 0.00 C ATOM 0 H VAL A 10 -1.334 1.568 -6.761 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.378 4.327 -6.679 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.151 2.890 -4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.508 4.501 -3.043 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.403 5.316 -4.176 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.133 5.173 -4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.413 2.265 -3.574 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.076 2.842 -5.121 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.967 1.451 -5.092 1.00 0.00 H new ATOM 122 N VAL A 11 -0.091 5.389 -6.342 1.00 0.00 N ATOM 123 CA VAL A 11 1.231 5.994 -6.452 1.00 0.00 C ATOM 124 C VAL A 11 1.417 7.102 -5.422 1.00 0.00 C ATOM 125 O VAL A 11 0.688 8.094 -5.423 1.00 0.00 O ATOM 126 CB VAL A 11 1.468 6.573 -7.860 1.00 0.00 C ATOM 127 CG1 VAL A 11 2.918 6.999 -8.026 1.00 0.00 C ATOM 128 CG2 VAL A 11 1.076 5.559 -8.925 1.00 0.00 C ATOM 0 H VAL A 11 -0.850 6.057 -6.209 1.00 0.00 H new ATOM 0 HA VAL A 11 1.957 5.203 -6.265 1.00 0.00 H new ATOM 0 HB VAL A 11 0.840 7.455 -7.981 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.066 7.405 -9.027 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.160 7.761 -7.286 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.569 6.136 -7.885 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.250 5.984 -9.914 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.677 4.657 -8.807 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.021 5.309 -8.818 1.00 0.00 H new ATOM 138 N ILE A 12 2.398 6.926 -4.543 1.00 0.00 N ATOM 139 CA ILE A 12 2.681 7.912 -3.507 1.00 0.00 C ATOM 140 C ILE A 12 4.149 8.325 -3.528 1.00 0.00 C ATOM 141 O ILE A 12 5.014 7.565 -3.963 1.00 0.00 O ATOM 142 CB ILE A 12 2.331 7.374 -2.107 1.00 0.00 C ATOM 143 CG1 ILE A 12 0.946 6.723 -2.119 1.00 0.00 C ATOM 144 CG2 ILE A 12 2.387 8.494 -1.080 1.00 0.00 C ATOM 145 CD1 ILE A 12 0.787 5.622 -1.094 1.00 0.00 C ATOM 0 H ILE A 12 3.010 6.110 -4.528 1.00 0.00 H new ATOM 0 HA ILE A 12 2.058 8.781 -3.720 1.00 0.00 H new ATOM 0 HB ILE A 12 3.065 6.617 -1.830 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.192 7.489 -1.938 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.754 6.315 -3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.137 8.098 -0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.391 8.917 -1.057 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.672 9.271 -1.350 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.218 5.206 -1.160 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.518 4.837 -1.287 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.947 6.029 -0.095 1.00 0.00 H new ATOM 157 N LYS A 13 4.423 9.535 -3.053 1.00 0.00 N ATOM 158 CA LYS A 13 5.787 10.051 -3.014 1.00 0.00 C ATOM 159 C LYS A 13 6.088 10.689 -1.661 1.00 0.00 C ATOM 160 O LYS A 13 5.485 11.697 -1.291 1.00 0.00 O ATOM 161 CB LYS A 13 6.000 11.074 -4.131 1.00 0.00 C ATOM 162 CG LYS A 13 5.145 10.818 -5.361 1.00 0.00 C ATOM 163 CD LYS A 13 5.400 11.855 -6.442 1.00 0.00 C ATOM 164 CE LYS A 13 5.181 11.277 -7.832 1.00 0.00 C ATOM 165 NZ LYS A 13 5.907 12.052 -8.876 1.00 0.00 N ATOM 0 H LYS A 13 3.719 10.177 -2.689 1.00 0.00 H new ATOM 0 HA LYS A 13 6.470 9.214 -3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.780 12.070 -3.747 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.051 11.069 -4.421 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.357 9.823 -5.752 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.091 10.833 -5.082 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.738 12.708 -6.293 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.421 12.226 -6.358 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.516 10.240 -7.851 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.115 11.272 -8.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.732 11.626 -9.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.570 13.036 -8.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.927 12.036 -8.674 1.00 0.00 H new ATOM 179 N LYS A 14 7.025 10.098 -0.929 1.00 0.00 N ATOM 180 CA LYS A 14 7.409 10.610 0.382 1.00 0.00 C ATOM 181 C LYS A 14 7.368 12.134 0.403 1.00 0.00 C ATOM 182 O LYS A 14 7.730 12.789 -0.574 1.00 0.00 O ATOM 183 CB LYS A 14 8.811 10.121 0.752 1.00 0.00 C ATOM 184 CG LYS A 14 9.025 9.962 2.247 1.00 0.00 C ATOM 185 CD LYS A 14 10.296 9.187 2.550 1.00 0.00 C ATOM 186 CE LYS A 14 10.033 7.690 2.621 1.00 0.00 C ATOM 187 NZ LYS A 14 9.652 7.259 3.994 1.00 0.00 N ATOM 0 H LYS A 14 7.533 9.263 -1.221 1.00 0.00 H new ATOM 0 HA LYS A 14 6.695 10.235 1.115 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.993 9.164 0.264 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.547 10.824 0.361 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.077 10.945 2.714 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.170 9.446 2.685 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.040 9.391 1.780 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.715 9.529 3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.237 7.428 1.924 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.925 7.149 2.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.448 6.754 4.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.414 8.094 4.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.827 6.628 3.943 1.00 0.00 H new ATOM 201 N GLY A 15 6.926 12.694 1.525 1.00 0.00 N ATOM 202 CA GLY A 15 6.848 14.138 1.653 1.00 0.00 C ATOM 203 C GLY A 15 6.561 14.579 3.075 1.00 0.00 C ATOM 204 O GLY A 15 7.397 15.219 3.714 1.00 0.00 O ATOM 0 H GLY A 15 6.621 12.174 2.347 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.787 14.580 1.321 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.067 14.517 0.994 1.00 0.00 H new ATOM 208 N SER A 16 5.376 14.238 3.571 1.00 0.00 N ATOM 209 CA SER A 16 4.979 14.609 4.924 1.00 0.00 C ATOM 210 C SER A 16 5.497 13.594 5.939 1.00 0.00 C ATOM 211 O SER A 16 4.816 12.621 6.263 1.00 0.00 O ATOM 212 CB SER A 16 3.456 14.712 5.021 1.00 0.00 C ATOM 213 OG SER A 16 3.053 15.099 6.324 1.00 0.00 O ATOM 0 H SER A 16 4.674 13.706 3.056 1.00 0.00 H new ATOM 0 HA SER A 16 5.417 15.581 5.151 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.090 15.437 4.294 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.007 13.752 4.768 1.00 0.00 H new ATOM 0 HG SER A 16 2.076 15.159 6.360 1.00 0.00 H new ATOM 219 N ASN A 17 6.706 13.828 6.437 1.00 0.00 N ATOM 220 CA ASN A 17 7.317 12.935 7.415 1.00 0.00 C ATOM 221 C ASN A 17 7.025 11.476 7.076 1.00 0.00 C ATOM 222 O ASN A 17 6.821 10.650 7.965 1.00 0.00 O ATOM 223 CB ASN A 17 6.804 13.256 8.821 1.00 0.00 C ATOM 224 CG ASN A 17 7.683 12.666 9.906 1.00 0.00 C ATOM 225 OD1 ASN A 17 8.835 12.307 9.660 1.00 0.00 O ATOM 226 ND2 ASN A 17 7.142 12.563 11.114 1.00 0.00 N ATOM 0 H ASN A 17 7.283 14.629 6.180 1.00 0.00 H new ATOM 0 HA ASN A 17 8.396 13.088 7.386 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.752 14.337 8.948 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.789 12.873 8.931 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.685 12.173 11.884 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.183 12.874 11.272 1.00 0.00 H new ATOM 233 N GLY A 18 7.007 11.167 5.783 1.00 0.00 N ATOM 234 CA GLY A 18 6.740 9.808 5.349 1.00 0.00 C ATOM 235 C GLY A 18 5.765 9.751 4.190 1.00 0.00 C ATOM 236 O GLY A 18 5.772 10.623 3.320 1.00 0.00 O ATOM 0 H GLY A 18 7.172 11.833 5.029 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.676 9.333 5.056 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.340 9.235 6.185 1.00 0.00 H new ATOM 240 N TYR A 19 4.925 8.722 4.175 1.00 0.00 N ATOM 241 CA TYR A 19 3.943 8.552 3.111 1.00 0.00 C ATOM 242 C TYR A 19 2.555 8.984 3.577 1.00 0.00 C ATOM 243 O TYR A 19 1.934 9.863 2.983 1.00 0.00 O ATOM 244 CB TYR A 19 3.907 7.094 2.649 1.00 0.00 C ATOM 245 CG TYR A 19 5.162 6.657 1.928 1.00 0.00 C ATOM 246 CD1 TYR A 19 5.304 6.850 0.560 1.00 0.00 C ATOM 247 CD2 TYR A 19 6.207 6.052 2.616 1.00 0.00 C ATOM 248 CE1 TYR A 19 6.449 6.451 -0.103 1.00 0.00 C ATOM 249 CE2 TYR A 19 7.356 5.651 1.962 1.00 0.00 C ATOM 250 CZ TYR A 19 7.472 5.853 0.603 1.00 0.00 C ATOM 251 OH TYR A 19 8.614 5.455 -0.053 1.00 0.00 O ATOM 0 H TYR A 19 4.905 7.993 4.888 1.00 0.00 H new ATOM 0 HA TYR A 19 4.239 9.184 2.274 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.753 6.451 3.515 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.051 6.951 1.990 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.506 7.320 0.005 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.119 5.893 3.681 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.542 6.606 -1.168 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.159 5.182 2.512 1.00 0.00 H new ATOM 0 HH TYR A 19 8.618 4.479 -0.141 1.00 0.00 H new ATOM 261 N GLY A 20 2.075 8.356 4.647 1.00 0.00 N ATOM 262 CA GLY A 20 0.765 8.688 5.176 1.00 0.00 C ATOM 263 C GLY A 20 -0.162 7.490 5.222 1.00 0.00 C ATOM 264 O GLY A 20 -1.371 7.623 5.032 1.00 0.00 O ATOM 0 H GLY A 20 2.570 7.624 5.156 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.875 9.097 6.180 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.315 9.468 4.562 1.00 0.00 H new ATOM 268 N PHE A 21 0.405 6.314 5.474 1.00 0.00 N ATOM 269 CA PHE A 21 -0.378 5.086 5.542 1.00 0.00 C ATOM 270 C PHE A 21 0.373 4.004 6.312 1.00 0.00 C ATOM 271 O PHE A 21 1.582 3.836 6.149 1.00 0.00 O ATOM 272 CB PHE A 21 -0.710 4.589 4.134 1.00 0.00 C ATOM 273 CG PHE A 21 0.441 3.906 3.453 1.00 0.00 C ATOM 274 CD1 PHE A 21 0.873 2.659 3.878 1.00 0.00 C ATOM 275 CD2 PHE A 21 1.091 4.509 2.388 1.00 0.00 C ATOM 276 CE1 PHE A 21 1.932 2.028 3.253 1.00 0.00 C ATOM 277 CE2 PHE A 21 2.150 3.882 1.759 1.00 0.00 C ATOM 278 CZ PHE A 21 2.571 2.640 2.192 1.00 0.00 C ATOM 0 H PHE A 21 1.404 6.186 5.634 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.306 5.305 6.070 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.551 3.898 4.190 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.032 5.434 3.526 1.00 0.00 H new ATOM 0 HD1 PHE A 21 0.377 2.175 4.706 1.00 0.00 H new ATOM 0 HD2 PHE A 21 0.766 5.480 2.045 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.260 1.057 3.594 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.648 4.363 0.930 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.398 2.148 1.702 1.00 0.00 H new ATOM 288 N TYR A 22 -0.352 3.273 7.151 1.00 0.00 N ATOM 289 CA TYR A 22 0.245 2.208 7.949 1.00 0.00 C ATOM 290 C TYR A 22 -0.077 0.839 7.359 1.00 0.00 C ATOM 291 O TYR A 22 -0.965 0.706 6.515 1.00 0.00 O ATOM 292 CB TYR A 22 -0.255 2.283 9.393 1.00 0.00 C ATOM 293 CG TYR A 22 0.094 3.580 10.088 1.00 0.00 C ATOM 294 CD1 TYR A 22 -0.526 4.771 9.730 1.00 0.00 C ATOM 295 CD2 TYR A 22 1.044 3.615 11.101 1.00 0.00 C ATOM 296 CE1 TYR A 22 -0.210 5.958 10.362 1.00 0.00 C ATOM 297 CE2 TYR A 22 1.366 4.797 11.739 1.00 0.00 C ATOM 298 CZ TYR A 22 0.736 5.966 11.366 1.00 0.00 C ATOM 299 OH TYR A 22 1.054 7.146 11.998 1.00 0.00 O ATOM 0 H TYR A 22 -1.354 3.398 7.296 1.00 0.00 H new ATOM 0 HA TYR A 22 1.327 2.343 7.938 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.338 2.156 9.401 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.167 1.452 9.959 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.267 4.769 8.945 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.540 2.702 11.395 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.701 6.875 10.072 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.107 4.806 12.525 1.00 0.00 H new ATOM 0 HH TYR A 22 1.737 6.978 12.681 1.00 0.00 H new ATOM 309 N LEU A 23 0.651 -0.177 7.808 1.00 0.00 N ATOM 310 CA LEU A 23 0.445 -1.539 7.325 1.00 0.00 C ATOM 311 C LEU A 23 0.309 -2.514 8.490 1.00 0.00 C ATOM 312 O LEU A 23 1.039 -2.423 9.477 1.00 0.00 O ATOM 313 CB LEU A 23 1.605 -1.962 6.423 1.00 0.00 C ATOM 314 CG LEU A 23 1.662 -1.299 5.047 1.00 0.00 C ATOM 315 CD1 LEU A 23 3.012 -1.543 4.392 1.00 0.00 C ATOM 316 CD2 LEU A 23 0.536 -1.813 4.160 1.00 0.00 C ATOM 0 H LEU A 23 1.389 -0.084 8.506 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.480 -1.559 6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.539 -1.752 6.944 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.554 -3.042 6.282 1.00 0.00 H new ATOM 0 HG LEU A 23 1.534 -0.224 5.177 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.034 -1.063 3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.801 -1.126 5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.171 -2.615 4.274 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.592 -1.330 3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.633 -2.892 4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.424 -1.586 4.623 1.00 0.00 H new ATOM 328 N ARG A 24 -0.629 -3.448 8.367 1.00 0.00 N ATOM 329 CA ARG A 24 -0.860 -4.441 9.408 1.00 0.00 C ATOM 330 C ARG A 24 -0.822 -5.853 8.831 1.00 0.00 C ATOM 331 O ARG A 24 -0.848 -6.038 7.615 1.00 0.00 O ATOM 332 CB ARG A 24 -2.207 -4.193 10.090 1.00 0.00 C ATOM 333 CG ARG A 24 -2.119 -3.270 11.294 1.00 0.00 C ATOM 334 CD ARG A 24 -2.207 -1.808 10.884 1.00 0.00 C ATOM 335 NE ARG A 24 -0.892 -1.237 10.609 1.00 0.00 N ATOM 336 CZ ARG A 24 0.068 -1.129 11.521 1.00 0.00 C ATOM 337 NH1 ARG A 24 -0.140 -1.553 12.760 1.00 0.00 N ATOM 338 NH2 ARG A 24 1.239 -0.598 11.195 1.00 0.00 N ATOM 0 H ARG A 24 -1.241 -3.537 7.556 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.064 -4.348 10.147 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.899 -3.765 9.364 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.627 -5.148 10.405 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.924 -3.502 11.991 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.181 -3.445 11.820 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.834 -1.717 9.997 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.691 -1.238 11.677 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.700 -0.903 9.665 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.039 -1.963 13.015 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.599 -1.469 13.458 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.404 -0.272 10.243 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.975 -0.516 11.897 1.00 0.00 H new ATOM 352 N ALA A 25 -0.761 -6.846 9.713 1.00 0.00 N ATOM 353 CA ALA A 25 -0.721 -8.241 9.291 1.00 0.00 C ATOM 354 C ALA A 25 -2.120 -8.847 9.268 1.00 0.00 C ATOM 355 O ALA A 25 -2.659 -9.230 10.305 1.00 0.00 O ATOM 356 CB ALA A 25 0.189 -9.044 10.209 1.00 0.00 C ATOM 0 H ALA A 25 -0.738 -6.710 10.724 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.321 -8.278 8.278 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.210 -10.084 9.882 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.198 -8.632 10.173 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.187 -8.992 11.231 1.00 0.00 H new ATOM 362 N GLY A 26 -2.704 -8.931 8.076 1.00 0.00 N ATOM 363 CA GLY A 26 -4.036 -9.491 7.940 1.00 0.00 C ATOM 364 C GLY A 26 -4.050 -10.998 8.100 1.00 0.00 C ATOM 365 O GLY A 26 -3.007 -11.640 8.230 1.00 0.00 O ATOM 0 H GLY A 26 -2.278 -8.621 7.202 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.693 -9.043 8.686 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.439 -9.229 6.962 1.00 0.00 H new ATOM 369 N PRO A 27 -5.255 -11.586 8.093 1.00 0.00 N ATOM 370 CA PRO A 27 -5.430 -13.035 8.238 1.00 0.00 C ATOM 371 C PRO A 27 -4.939 -13.803 7.016 1.00 0.00 C ATOM 372 O PRO A 27 -4.206 -13.265 6.187 1.00 0.00 O ATOM 373 CB PRO A 27 -6.944 -13.195 8.398 1.00 0.00 C ATOM 374 CG PRO A 27 -7.525 -11.999 7.725 1.00 0.00 C ATOM 375 CD PRO A 27 -6.540 -10.883 7.942 1.00 0.00 C ATOM 0 HA PRO A 27 -4.855 -13.434 9.074 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.295 -14.118 7.937 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.229 -13.235 9.449 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.677 -12.185 6.662 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.498 -11.748 8.147 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.523 -10.192 7.099 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.785 -10.298 8.829 1.00 0.00 H new ATOM 383 N GLU A 28 -5.348 -15.064 6.912 1.00 0.00 N ATOM 384 CA GLU A 28 -4.948 -15.906 5.791 1.00 0.00 C ATOM 385 C GLU A 28 -4.889 -15.098 4.498 1.00 0.00 C ATOM 386 O GLU A 28 -4.109 -15.406 3.597 1.00 0.00 O ATOM 387 CB GLU A 28 -5.922 -17.075 5.630 1.00 0.00 C ATOM 388 CG GLU A 28 -5.774 -18.142 6.701 1.00 0.00 C ATOM 389 CD GLU A 28 -6.344 -19.481 6.274 1.00 0.00 C ATOM 390 OE1 GLU A 28 -7.573 -19.668 6.391 1.00 0.00 O ATOM 391 OE2 GLU A 28 -5.560 -20.342 5.822 1.00 0.00 O ATOM 0 H GLU A 28 -5.955 -15.524 7.590 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.953 -16.297 6.001 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.942 -16.692 5.649 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.771 -17.531 4.652 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.719 -18.262 6.945 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.276 -17.811 7.610 1.00 0.00 H new ATOM 398 N GLN A 29 -5.718 -14.062 4.415 1.00 0.00 N ATOM 399 CA GLN A 29 -5.761 -13.211 3.233 1.00 0.00 C ATOM 400 C GLN A 29 -4.386 -12.621 2.936 1.00 0.00 C ATOM 401 O GLN A 29 -3.963 -11.654 3.571 1.00 0.00 O ATOM 402 CB GLN A 29 -6.780 -12.086 3.424 1.00 0.00 C ATOM 403 CG GLN A 29 -8.209 -12.500 3.109 1.00 0.00 C ATOM 404 CD GLN A 29 -8.441 -12.714 1.626 1.00 0.00 C ATOM 405 OE1 GLN A 29 -7.724 -13.477 0.978 1.00 0.00 O ATOM 406 NE2 GLN A 29 -9.446 -12.040 1.081 1.00 0.00 N ATOM 0 H GLN A 29 -6.369 -13.792 5.153 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.064 -13.826 2.386 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.731 -11.734 4.454 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.505 -11.246 2.787 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.444 -13.419 3.646 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.894 -11.734 3.473 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.014 -11.418 1.656 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.650 -12.144 0.087 1.00 0.00 H new ATOM 415 N LYS A 30 -3.691 -13.209 1.969 1.00 0.00 N ATOM 416 CA LYS A 30 -2.363 -12.743 1.587 1.00 0.00 C ATOM 417 C LYS A 30 -2.374 -11.244 1.304 1.00 0.00 C ATOM 418 O LYS A 30 -3.144 -10.765 0.473 1.00 0.00 O ATOM 419 CB LYS A 30 -1.869 -13.502 0.354 1.00 0.00 C ATOM 420 CG LYS A 30 -1.798 -15.006 0.553 1.00 0.00 C ATOM 421 CD LYS A 30 -0.713 -15.387 1.546 1.00 0.00 C ATOM 422 CE LYS A 30 -0.919 -16.794 2.085 1.00 0.00 C ATOM 423 NZ LYS A 30 0.150 -17.182 3.046 1.00 0.00 N ATOM 0 H LYS A 30 -4.026 -14.011 1.434 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.685 -12.933 2.419 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.531 -13.286 -0.485 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.880 -13.133 0.083 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.761 -15.373 0.907 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.604 -15.492 -0.403 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.262 -15.320 1.064 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.709 -14.677 2.373 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.890 -16.856 2.577 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.936 -17.502 1.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.026 -18.147 3.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.074 -17.148 2.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.150 -16.522 3.850 1.00 0.00 H new ATOM 437 N GLY A 31 -1.512 -10.509 2.000 1.00 0.00 N ATOM 438 CA GLY A 31 -1.438 -9.072 1.807 1.00 0.00 C ATOM 439 C GLY A 31 -1.606 -8.304 3.104 1.00 0.00 C ATOM 440 O GLY A 31 -2.172 -8.818 4.068 1.00 0.00 O ATOM 0 H GLY A 31 -0.864 -10.882 2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.477 -8.817 1.359 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.210 -8.763 1.102 1.00 0.00 H new ATOM 444 N GLN A 32 -1.110 -7.071 3.127 1.00 0.00 N ATOM 445 CA GLN A 32 -1.206 -6.233 4.316 1.00 0.00 C ATOM 446 C GLN A 32 -2.377 -5.262 4.205 1.00 0.00 C ATOM 447 O GLN A 32 -2.807 -4.917 3.104 1.00 0.00 O ATOM 448 CB GLN A 32 0.096 -5.458 4.526 1.00 0.00 C ATOM 449 CG GLN A 32 1.340 -6.329 4.460 1.00 0.00 C ATOM 450 CD GLN A 32 1.333 -7.436 5.496 1.00 0.00 C ATOM 451 OE1 GLN A 32 0.930 -8.564 5.212 1.00 0.00 O ATOM 452 NE2 GLN A 32 1.781 -7.118 6.705 1.00 0.00 N ATOM 0 H GLN A 32 -0.638 -6.631 2.337 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.377 -6.883 5.174 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.170 -4.676 3.770 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.061 -4.962 5.496 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.419 -6.768 3.465 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.223 -5.706 4.605 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.105 -6.170 6.896 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.801 -7.822 7.443 1.00 0.00 H new ATOM 461 N ILE A 33 -2.888 -4.826 5.351 1.00 0.00 N ATOM 462 CA ILE A 33 -4.009 -3.895 5.382 1.00 0.00 C ATOM 463 C ILE A 33 -3.544 -2.485 5.733 1.00 0.00 C ATOM 464 O ILE A 33 -2.560 -2.307 6.452 1.00 0.00 O ATOM 465 CB ILE A 33 -5.081 -4.337 6.396 1.00 0.00 C ATOM 466 CG1 ILE A 33 -5.345 -5.839 6.270 1.00 0.00 C ATOM 467 CG2 ILE A 33 -6.365 -3.548 6.186 1.00 0.00 C ATOM 468 CD1 ILE A 33 -6.157 -6.407 7.412 1.00 0.00 C ATOM 0 H ILE A 33 -2.544 -5.102 6.270 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.445 -3.893 4.383 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.714 -4.135 7.402 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.867 -6.031 5.333 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.391 -6.364 6.216 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.113 -3.871 6.910 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.165 -2.485 6.321 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.738 -3.722 5.177 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.306 -7.476 7.257 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.626 -6.247 8.351 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.125 -5.908 7.453 1.00 0.00 H new ATOM 480 N ILE A 34 -4.258 -1.488 5.223 1.00 0.00 N ATOM 481 CA ILE A 34 -3.920 -0.095 5.485 1.00 0.00 C ATOM 482 C ILE A 34 -4.924 0.545 6.438 1.00 0.00 C ATOM 483 O ILE A 34 -6.116 0.237 6.400 1.00 0.00 O ATOM 484 CB ILE A 34 -3.868 0.727 4.184 1.00 0.00 C ATOM 485 CG1 ILE A 34 -2.755 0.208 3.271 1.00 0.00 C ATOM 486 CG2 ILE A 34 -3.660 2.201 4.496 1.00 0.00 C ATOM 487 CD1 ILE A 34 -2.555 1.044 2.027 1.00 0.00 C ATOM 0 H ILE A 34 -5.074 -1.619 4.626 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.932 -0.092 5.946 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.820 0.617 3.664 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.821 0.177 3.832 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.985 -0.816 2.978 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.625 2.768 3.566 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.484 2.562 5.111 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.721 2.330 5.035 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.751 0.617 1.427 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.476 1.055 1.444 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.294 2.063 2.312 1.00 0.00 H new ATOM 499 N LYS A 35 -4.436 1.439 7.290 1.00 0.00 N ATOM 500 CA LYS A 35 -5.291 2.126 8.252 1.00 0.00 C ATOM 501 C LYS A 35 -4.549 3.288 8.905 1.00 0.00 C ATOM 502 O LYS A 35 -3.331 3.412 8.774 1.00 0.00 O ATOM 503 CB LYS A 35 -5.775 1.149 9.325 1.00 0.00 C ATOM 504 CG LYS A 35 -4.711 0.162 9.773 1.00 0.00 C ATOM 505 CD LYS A 35 -5.329 -1.113 10.322 1.00 0.00 C ATOM 506 CE LYS A 35 -5.714 -2.072 9.206 1.00 0.00 C ATOM 507 NZ LYS A 35 -5.985 -3.443 9.721 1.00 0.00 N ATOM 0 H LYS A 35 -3.452 1.706 7.335 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.153 2.523 7.716 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -6.121 1.715 10.190 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.633 0.597 8.941 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.061 -0.080 8.932 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.085 0.622 10.537 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.623 -1.600 10.994 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.212 -0.866 10.911 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.599 -1.695 8.693 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.912 -2.113 8.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.260 -4.062 8.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.128 -3.820 10.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.756 -3.406 10.418 1.00 0.00 H new ATOM 521 N ASP A 36 -5.291 4.136 9.610 1.00 0.00 N ATOM 522 CA ASP A 36 -4.703 5.286 10.286 1.00 0.00 C ATOM 523 C ASP A 36 -4.097 6.258 9.278 1.00 0.00 C ATOM 524 O ASP A 36 -3.040 6.841 9.522 1.00 0.00 O ATOM 525 CB ASP A 36 -3.634 4.830 11.280 1.00 0.00 C ATOM 526 CG ASP A 36 -4.208 4.531 12.651 1.00 0.00 C ATOM 527 OD1 ASP A 36 -5.139 5.247 13.074 1.00 0.00 O ATOM 528 OD2 ASP A 36 -3.726 3.580 13.301 1.00 0.00 O ATOM 0 H ASP A 36 -6.300 4.048 9.728 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.496 5.801 10.829 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.140 3.938 10.894 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.871 5.604 11.369 1.00 0.00 H new ATOM 533 N ILE A 37 -4.772 6.426 8.146 1.00 0.00 N ATOM 534 CA ILE A 37 -4.300 7.327 7.102 1.00 0.00 C ATOM 535 C ILE A 37 -4.232 8.764 7.606 1.00 0.00 C ATOM 536 O ILE A 37 -5.131 9.231 8.304 1.00 0.00 O ATOM 537 CB ILE A 37 -5.207 7.273 5.859 1.00 0.00 C ATOM 538 CG1 ILE A 37 -5.077 5.916 5.164 1.00 0.00 C ATOM 539 CG2 ILE A 37 -4.860 8.401 4.900 1.00 0.00 C ATOM 540 CD1 ILE A 37 -6.132 5.674 4.108 1.00 0.00 C ATOM 0 H ILE A 37 -5.647 5.950 7.928 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.300 6.993 6.826 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.242 7.399 6.177 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.091 5.846 4.704 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.136 5.126 5.913 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.510 8.349 4.027 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.000 9.359 5.400 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.821 8.304 4.585 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.978 4.693 3.658 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.120 5.712 4.566 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.059 6.442 3.338 1.00 0.00 H new ATOM 552 N GLU A 38 -3.159 9.462 7.244 1.00 0.00 N ATOM 553 CA GLU A 38 -2.974 10.848 7.659 1.00 0.00 C ATOM 554 C GLU A 38 -3.585 11.806 6.641 1.00 0.00 C ATOM 555 O GLU A 38 -3.514 11.594 5.430 1.00 0.00 O ATOM 556 CB GLU A 38 -1.486 11.156 7.838 1.00 0.00 C ATOM 557 CG GLU A 38 -0.865 10.474 9.046 1.00 0.00 C ATOM 558 CD GLU A 38 0.493 11.047 9.404 1.00 0.00 C ATOM 559 OE1 GLU A 38 1.283 11.322 8.477 1.00 0.00 O ATOM 560 OE2 GLU A 38 0.765 11.219 10.610 1.00 0.00 O ATOM 0 H GLU A 38 -2.406 9.091 6.665 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.483 10.986 8.613 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.949 10.847 6.941 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.355 12.234 7.933 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.535 10.575 9.900 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.764 9.408 8.845 1.00 0.00 H new ATOM 567 N PRO A 39 -4.200 12.888 7.142 1.00 0.00 N ATOM 568 CA PRO A 39 -4.835 13.901 6.294 1.00 0.00 C ATOM 569 C PRO A 39 -3.816 14.722 5.511 1.00 0.00 C ATOM 570 O PRO A 39 -2.685 14.913 5.954 1.00 0.00 O ATOM 571 CB PRO A 39 -5.578 14.787 7.297 1.00 0.00 C ATOM 572 CG PRO A 39 -4.834 14.619 8.576 1.00 0.00 C ATOM 573 CD PRO A 39 -4.322 13.205 8.575 1.00 0.00 C ATOM 0 HA PRO A 39 -5.481 13.454 5.538 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.584 15.829 6.976 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.619 14.480 7.401 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.012 15.332 8.646 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.484 14.798 9.432 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.363 13.124 9.088 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.011 12.528 9.079 1.00 0.00 H new ATOM 581 N GLY A 40 -4.226 15.207 4.342 1.00 0.00 N ATOM 582 CA GLY A 40 -3.337 16.002 3.516 1.00 0.00 C ATOM 583 C GLY A 40 -2.013 15.311 3.257 1.00 0.00 C ATOM 584 O GLY A 40 -1.051 15.942 2.819 1.00 0.00 O ATOM 0 H GLY A 40 -5.158 15.063 3.953 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.824 16.215 2.565 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.154 16.960 4.002 1.00 0.00 H new ATOM 588 N SER A 41 -1.963 14.011 3.528 1.00 0.00 N ATOM 589 CA SER A 41 -0.745 13.234 3.327 1.00 0.00 C ATOM 590 C SER A 41 -0.724 12.607 1.936 1.00 0.00 C ATOM 591 O SER A 41 -1.763 12.328 1.338 1.00 0.00 O ATOM 592 CB SER A 41 -0.630 12.142 4.393 1.00 0.00 C ATOM 593 OG SER A 41 -1.482 11.049 4.098 1.00 0.00 O ATOM 0 H SER A 41 -2.752 13.473 3.887 1.00 0.00 H new ATOM 0 HA SER A 41 0.106 13.909 3.415 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.402 11.796 4.454 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.887 12.554 5.369 1.00 0.00 H new ATOM 0 HG SER A 41 -2.101 10.906 4.844 1.00 0.00 H new ATOM 599 N PRO A 42 0.488 12.381 1.409 1.00 0.00 N ATOM 600 CA PRO A 42 0.675 11.785 0.083 1.00 0.00 C ATOM 601 C PRO A 42 -0.178 10.537 -0.117 1.00 0.00 C ATOM 602 O PRO A 42 -0.605 10.238 -1.232 1.00 0.00 O ATOM 603 CB PRO A 42 2.163 11.424 0.063 1.00 0.00 C ATOM 604 CG PRO A 42 2.795 12.373 1.022 1.00 0.00 C ATOM 605 CD PRO A 42 1.769 12.689 2.066 1.00 0.00 C ATOM 0 HA PRO A 42 0.376 12.465 -0.715 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.324 10.389 0.366 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.583 11.532 -0.937 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.682 11.930 1.475 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.117 13.280 0.511 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.913 12.086 2.963 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.820 13.734 2.372 1.00 0.00 H new ATOM 613 N ALA A 43 -0.422 9.812 0.969 1.00 0.00 N ATOM 614 CA ALA A 43 -1.226 8.597 0.913 1.00 0.00 C ATOM 615 C ALA A 43 -2.688 8.920 0.624 1.00 0.00 C ATOM 616 O ALA A 43 -3.332 8.254 -0.186 1.00 0.00 O ATOM 617 CB ALA A 43 -1.103 7.822 2.216 1.00 0.00 C ATOM 0 H ALA A 43 -0.074 10.045 1.899 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.849 7.979 0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.709 6.917 2.160 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.060 7.551 2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.452 8.441 3.042 1.00 0.00 H new ATOM 623 N GLU A 44 -3.206 9.946 1.292 1.00 0.00 N ATOM 624 CA GLU A 44 -4.594 10.355 1.107 1.00 0.00 C ATOM 625 C GLU A 44 -4.782 11.045 -0.241 1.00 0.00 C ATOM 626 O GLU A 44 -5.838 10.936 -0.864 1.00 0.00 O ATOM 627 CB GLU A 44 -5.028 11.292 2.237 1.00 0.00 C ATOM 628 CG GLU A 44 -6.482 11.722 2.145 1.00 0.00 C ATOM 629 CD GLU A 44 -7.444 10.615 2.531 1.00 0.00 C ATOM 630 OE1 GLU A 44 -7.619 9.676 1.727 1.00 0.00 O ATOM 631 OE2 GLU A 44 -8.021 10.687 3.636 1.00 0.00 O ATOM 0 H GLU A 44 -2.686 10.509 1.965 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.216 9.460 1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.865 10.795 3.193 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.394 12.179 2.226 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.644 12.582 2.795 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.697 12.046 1.127 1.00 0.00 H new ATOM 638 N ALA A 45 -3.751 11.756 -0.685 1.00 0.00 N ATOM 639 CA ALA A 45 -3.801 12.463 -1.959 1.00 0.00 C ATOM 640 C ALA A 45 -3.626 11.500 -3.128 1.00 0.00 C ATOM 641 O ALA A 45 -4.115 11.750 -4.229 1.00 0.00 O ATOM 642 CB ALA A 45 -2.736 13.548 -2.002 1.00 0.00 C ATOM 0 H ALA A 45 -2.870 11.858 -0.181 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.782 12.929 -2.050 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.785 14.068 -2.959 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.908 14.259 -1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.751 13.096 -1.884 1.00 0.00 H new ATOM 648 N ALA A 46 -2.924 10.398 -2.881 1.00 0.00 N ATOM 649 CA ALA A 46 -2.685 9.397 -3.914 1.00 0.00 C ATOM 650 C ALA A 46 -3.984 8.712 -4.324 1.00 0.00 C ATOM 651 O ALA A 46 -4.148 8.309 -5.475 1.00 0.00 O ATOM 652 CB ALA A 46 -1.674 8.369 -3.428 1.00 0.00 C ATOM 0 H ALA A 46 -2.511 10.176 -1.975 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.279 9.903 -4.790 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.505 7.628 -4.209 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.734 8.867 -3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.058 7.875 -2.536 1.00 0.00 H new ATOM 658 N GLY A 47 -4.905 8.581 -3.374 1.00 0.00 N ATOM 659 CA GLY A 47 -6.177 7.943 -3.657 1.00 0.00 C ATOM 660 C GLY A 47 -6.383 6.678 -2.848 1.00 0.00 C ATOM 661 O GLY A 47 -7.325 5.922 -3.093 1.00 0.00 O ATOM 0 H GLY A 47 -4.793 8.905 -2.414 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.986 8.642 -3.445 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.232 7.704 -4.719 1.00 0.00 H new ATOM 665 N LEU A 48 -5.501 6.444 -1.882 1.00 0.00 N ATOM 666 CA LEU A 48 -5.590 5.260 -1.035 1.00 0.00 C ATOM 667 C LEU A 48 -6.972 5.147 -0.400 1.00 0.00 C ATOM 668 O LEU A 48 -7.869 5.938 -0.694 1.00 0.00 O ATOM 669 CB LEU A 48 -4.518 5.308 0.055 1.00 0.00 C ATOM 670 CG LEU A 48 -3.174 4.669 -0.297 1.00 0.00 C ATOM 671 CD1 LEU A 48 -2.223 4.739 0.887 1.00 0.00 C ATOM 672 CD2 LEU A 48 -3.369 3.227 -0.742 1.00 0.00 C ATOM 0 H LEU A 48 -4.716 7.059 -1.666 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.425 4.383 -1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.344 6.351 0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.910 4.815 0.944 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.734 5.227 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.272 4.279 0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.058 5.781 1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.656 4.207 1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.402 2.788 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.831 2.657 0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.014 3.201 -1.621 1.00 0.00 H new ATOM 684 N LYS A 49 -7.137 4.160 0.474 1.00 0.00 N ATOM 685 CA LYS A 49 -8.408 3.944 1.154 1.00 0.00 C ATOM 686 C LYS A 49 -8.241 2.984 2.328 1.00 0.00 C ATOM 687 O LYS A 49 -7.649 1.915 2.189 1.00 0.00 O ATOM 688 CB LYS A 49 -9.447 3.392 0.175 1.00 0.00 C ATOM 689 CG LYS A 49 -10.014 4.442 -0.765 1.00 0.00 C ATOM 690 CD LYS A 49 -11.377 4.034 -1.299 1.00 0.00 C ATOM 691 CE LYS A 49 -11.270 2.867 -2.269 1.00 0.00 C ATOM 692 NZ LYS A 49 -12.521 2.060 -2.306 1.00 0.00 N ATOM 0 H LYS A 49 -6.405 3.496 0.728 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.753 4.904 1.538 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.992 2.596 -0.415 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.264 2.943 0.740 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.098 5.394 -0.241 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.327 4.596 -1.597 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.027 3.759 -0.468 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.842 4.883 -1.800 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.051 3.244 -3.268 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.435 2.229 -1.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.408 1.275 -2.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.716 1.679 -1.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.314 2.662 -2.607 1.00 0.00 H new ATOM 706 N ASN A 50 -8.768 3.374 3.485 1.00 0.00 N ATOM 707 CA ASN A 50 -8.677 2.547 4.683 1.00 0.00 C ATOM 708 C ASN A 50 -9.144 1.123 4.398 1.00 0.00 C ATOM 709 O ASN A 50 -10.074 0.907 3.621 1.00 0.00 O ATOM 710 CB ASN A 50 -9.515 3.154 5.810 1.00 0.00 C ATOM 711 CG ASN A 50 -9.074 4.561 6.165 1.00 0.00 C ATOM 712 OD1 ASN A 50 -7.918 4.675 6.808 1.00 0.00 O flip ATOM 713 ND2 ASN A 50 -9.766 5.534 5.864 1.00 0.00 N flip ATOM 0 H ASN A 50 -9.262 4.257 3.618 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.632 2.513 4.993 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.563 3.169 5.512 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.444 2.520 6.694 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.648 5.399 5.370 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.457 6.475 6.109 1.00 0.00 H new ATOM 720 N ASN A 51 -8.491 0.154 5.032 1.00 0.00 N ATOM 721 CA ASN A 51 -8.839 -1.250 4.847 1.00 0.00 C ATOM 722 C ASN A 51 -8.371 -1.751 3.484 1.00 0.00 C ATOM 723 O ASN A 51 -8.954 -2.675 2.917 1.00 0.00 O ATOM 724 CB ASN A 51 -10.351 -1.445 4.982 1.00 0.00 C ATOM 725 CG ASN A 51 -10.940 -0.625 6.114 1.00 0.00 C ATOM 726 OD1 ASN A 51 -10.387 -0.577 7.213 1.00 0.00 O ATOM 727 ND2 ASN A 51 -12.068 0.024 5.850 1.00 0.00 N ATOM 0 H ASN A 51 -7.718 0.315 5.678 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.334 -1.828 5.621 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.836 -1.168 4.046 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.565 -2.500 5.152 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -12.511 0.591 6.573 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.491 -0.045 4.924 1.00 0.00 H new ATOM 734 N ASP A 52 -7.315 -1.135 2.964 1.00 0.00 N ATOM 735 CA ASP A 52 -6.767 -1.519 1.668 1.00 0.00 C ATOM 736 C ASP A 52 -5.815 -2.703 1.811 1.00 0.00 C ATOM 737 O ASP A 52 -4.839 -2.642 2.560 1.00 0.00 O ATOM 738 CB ASP A 52 -6.038 -0.336 1.028 1.00 0.00 C ATOM 739 CG ASP A 52 -6.954 0.511 0.167 1.00 0.00 C ATOM 740 OD1 ASP A 52 -8.188 0.396 0.322 1.00 0.00 O ATOM 741 OD2 ASP A 52 -6.437 1.290 -0.660 1.00 0.00 O ATOM 0 H ASP A 52 -6.821 -0.368 3.420 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.595 -1.817 1.024 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.603 0.285 1.811 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.213 -0.707 0.420 1.00 0.00 H new ATOM 746 N LEU A 53 -6.105 -3.779 1.088 1.00 0.00 N ATOM 747 CA LEU A 53 -5.275 -4.978 1.134 1.00 0.00 C ATOM 748 C LEU A 53 -4.243 -4.969 0.011 1.00 0.00 C ATOM 749 O LEU A 53 -4.581 -5.153 -1.159 1.00 0.00 O ATOM 750 CB LEU A 53 -6.148 -6.230 1.030 1.00 0.00 C ATOM 751 CG LEU A 53 -5.455 -7.558 1.335 1.00 0.00 C ATOM 752 CD1 LEU A 53 -5.191 -7.692 2.827 1.00 0.00 C ATOM 753 CD2 LEU A 53 -6.294 -8.725 0.834 1.00 0.00 C ATOM 0 H LEU A 53 -6.908 -3.846 0.463 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.747 -4.989 2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.991 -6.118 1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.558 -6.280 0.021 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.498 -7.574 0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.697 -8.643 3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.550 -6.875 3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.136 -7.654 3.369 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.785 -9.662 1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.266 -8.712 1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.432 -8.638 -0.244 1.00 0.00 H new ATOM 765 N VAL A 54 -2.982 -4.756 0.375 1.00 0.00 N ATOM 766 CA VAL A 54 -1.899 -4.727 -0.601 1.00 0.00 C ATOM 767 C VAL A 54 -1.277 -6.108 -0.773 1.00 0.00 C ATOM 768 O VAL A 54 -0.669 -6.646 0.153 1.00 0.00 O ATOM 769 CB VAL A 54 -0.801 -3.728 -0.192 1.00 0.00 C ATOM 770 CG1 VAL A 54 0.236 -3.591 -1.296 1.00 0.00 C ATOM 771 CG2 VAL A 54 -1.411 -2.376 0.148 1.00 0.00 C ATOM 0 H VAL A 54 -2.686 -4.601 1.339 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.335 -4.408 -1.548 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.300 -4.110 0.698 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.003 -2.881 -0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.695 -4.561 -1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.246 -3.233 -2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.621 -1.682 0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.938 -1.986 -0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.111 -2.491 0.975 1.00 0.00 H new ATOM 781 N VAL A 55 -1.432 -6.677 -1.964 1.00 0.00 N ATOM 782 CA VAL A 55 -0.883 -7.996 -2.258 1.00 0.00 C ATOM 783 C VAL A 55 0.443 -7.886 -3.002 1.00 0.00 C ATOM 784 O VAL A 55 1.261 -8.805 -2.973 1.00 0.00 O ATOM 785 CB VAL A 55 -1.863 -8.836 -3.099 1.00 0.00 C ATOM 786 CG1 VAL A 55 -3.044 -9.285 -2.252 1.00 0.00 C ATOM 787 CG2 VAL A 55 -2.334 -8.049 -4.312 1.00 0.00 C ATOM 0 H VAL A 55 -1.933 -6.246 -2.741 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.719 -8.492 -1.301 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.342 -9.725 -3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.726 -9.877 -2.863 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.685 -9.889 -1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.569 -8.411 -1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.025 -8.658 -4.895 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.839 -7.141 -3.983 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.476 -7.784 -4.929 1.00 0.00 H new ATOM 797 N ALA A 56 0.649 -6.754 -3.668 1.00 0.00 N ATOM 798 CA ALA A 56 1.878 -6.523 -4.418 1.00 0.00 C ATOM 799 C ALA A 56 2.291 -5.056 -4.354 1.00 0.00 C ATOM 800 O ALA A 56 1.445 -4.162 -4.340 1.00 0.00 O ATOM 801 CB ALA A 56 1.704 -6.961 -5.864 1.00 0.00 C ATOM 0 H ALA A 56 -0.018 -5.984 -3.703 1.00 0.00 H new ATOM 0 HA ALA A 56 2.670 -7.118 -3.963 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.629 -6.783 -6.412 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.462 -8.023 -5.896 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.896 -6.391 -6.322 1.00 0.00 H new ATOM 807 N VAL A 57 3.598 -4.816 -4.315 1.00 0.00 N ATOM 808 CA VAL A 57 4.124 -3.457 -4.253 1.00 0.00 C ATOM 809 C VAL A 57 5.225 -3.247 -5.287 1.00 0.00 C ATOM 810 O VAL A 57 6.251 -3.926 -5.263 1.00 0.00 O ATOM 811 CB VAL A 57 4.680 -3.134 -2.854 1.00 0.00 C ATOM 812 CG1 VAL A 57 5.249 -1.724 -2.818 1.00 0.00 C ATOM 813 CG2 VAL A 57 3.599 -3.309 -1.798 1.00 0.00 C ATOM 0 H VAL A 57 4.312 -5.545 -4.325 1.00 0.00 H new ATOM 0 HA VAL A 57 3.293 -2.785 -4.469 1.00 0.00 H new ATOM 0 HB VAL A 57 5.488 -3.832 -2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.637 -1.514 -1.821 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.055 -1.638 -3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.463 -1.008 -3.060 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.009 -3.077 -0.815 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.768 -2.637 -2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.244 -4.339 -1.808 1.00 0.00 H new ATOM 823 N ASN A 58 5.005 -2.300 -6.193 1.00 0.00 N ATOM 824 CA ASN A 58 5.979 -1.999 -7.236 1.00 0.00 C ATOM 825 C ASN A 58 6.169 -3.196 -8.164 1.00 0.00 C ATOM 826 O ASN A 58 7.238 -3.381 -8.743 1.00 0.00 O ATOM 827 CB ASN A 58 7.319 -1.605 -6.613 1.00 0.00 C ATOM 828 CG ASN A 58 7.424 -0.112 -6.365 1.00 0.00 C ATOM 829 OD1 ASN A 58 6.781 0.688 -7.044 1.00 0.00 O ATOM 830 ND2 ASN A 58 8.239 0.269 -5.388 1.00 0.00 N ATOM 0 H ASN A 58 4.161 -1.728 -6.226 1.00 0.00 H new ATOM 0 HA ASN A 58 5.599 -1.163 -7.823 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.449 -2.137 -5.671 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.129 -1.919 -7.271 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.351 1.260 -5.175 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.753 -0.430 -4.851 1.00 0.00 H new ATOM 837 N GLY A 59 5.123 -4.005 -8.300 1.00 0.00 N ATOM 838 CA GLY A 59 5.195 -5.172 -9.159 1.00 0.00 C ATOM 839 C GLY A 59 5.895 -6.340 -8.492 1.00 0.00 C ATOM 840 O GLY A 59 6.337 -7.274 -9.162 1.00 0.00 O ATOM 0 H GLY A 59 4.227 -3.873 -7.831 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.187 -5.472 -9.445 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.723 -4.912 -10.077 1.00 0.00 H new ATOM 844 N LYS A 60 5.999 -6.288 -7.169 1.00 0.00 N ATOM 845 CA LYS A 60 6.651 -7.349 -6.410 1.00 0.00 C ATOM 846 C LYS A 60 5.705 -7.930 -5.364 1.00 0.00 C ATOM 847 O LYS A 60 5.136 -7.199 -4.554 1.00 0.00 O ATOM 848 CB LYS A 60 7.914 -6.815 -5.730 1.00 0.00 C ATOM 849 CG LYS A 60 8.952 -6.286 -6.705 1.00 0.00 C ATOM 850 CD LYS A 60 9.764 -7.413 -7.321 1.00 0.00 C ATOM 851 CE LYS A 60 10.547 -6.937 -8.535 1.00 0.00 C ATOM 852 NZ LYS A 60 9.752 -7.052 -9.789 1.00 0.00 N ATOM 0 H LYS A 60 5.640 -5.522 -6.599 1.00 0.00 H new ATOM 0 HA LYS A 60 6.927 -8.142 -7.105 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.636 -6.018 -5.040 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.360 -7.611 -5.134 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.456 -5.720 -7.494 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.619 -5.596 -6.189 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.452 -7.815 -6.578 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.098 -8.226 -7.612 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.847 -5.899 -8.389 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.461 -7.523 -8.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.321 -6.718 -10.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.487 -8.046 -9.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.892 -6.473 -9.709 1.00 0.00 H new ATOM 866 N SER A 61 5.543 -9.249 -5.387 1.00 0.00 N ATOM 867 CA SER A 61 4.664 -9.928 -4.442 1.00 0.00 C ATOM 868 C SER A 61 5.139 -9.714 -3.008 1.00 0.00 C ATOM 869 O SER A 61 6.118 -10.318 -2.569 1.00 0.00 O ATOM 870 CB SER A 61 4.604 -11.424 -4.753 1.00 0.00 C ATOM 871 OG SER A 61 4.314 -11.649 -6.122 1.00 0.00 O ATOM 0 H SER A 61 6.009 -9.869 -6.050 1.00 0.00 H new ATOM 0 HA SER A 61 3.665 -9.503 -4.543 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.556 -11.890 -4.498 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.842 -11.897 -4.134 1.00 0.00 H new ATOM 0 HG SER A 61 4.283 -12.613 -6.296 1.00 0.00 H new ATOM 877 N VAL A 62 4.439 -8.848 -2.282 1.00 0.00 N ATOM 878 CA VAL A 62 4.787 -8.554 -0.897 1.00 0.00 C ATOM 879 C VAL A 62 3.952 -9.387 0.069 1.00 0.00 C ATOM 880 O VAL A 62 4.414 -9.751 1.149 1.00 0.00 O ATOM 881 CB VAL A 62 4.589 -7.061 -0.573 1.00 0.00 C ATOM 882 CG1 VAL A 62 5.226 -6.193 -1.648 1.00 0.00 C ATOM 883 CG2 VAL A 62 3.110 -6.740 -0.424 1.00 0.00 C ATOM 0 H VAL A 62 3.627 -8.338 -2.630 1.00 0.00 H new ATOM 0 HA VAL A 62 5.840 -8.808 -0.775 1.00 0.00 H new ATOM 0 HB VAL A 62 5.081 -6.844 0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.076 -5.142 -1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.294 -6.405 -1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.765 -6.410 -2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.989 -5.681 -0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.592 -6.972 -1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.688 -7.337 0.385 1.00 0.00 H new ATOM 893 N GLU A 63 2.719 -9.685 -0.329 1.00 0.00 N ATOM 894 CA GLU A 63 1.819 -10.476 0.502 1.00 0.00 C ATOM 895 C GLU A 63 2.569 -11.617 1.183 1.00 0.00 C ATOM 896 O GLU A 63 2.311 -11.939 2.343 1.00 0.00 O ATOM 897 CB GLU A 63 0.671 -11.036 -0.340 1.00 0.00 C ATOM 898 CG GLU A 63 1.051 -12.265 -1.148 1.00 0.00 C ATOM 899 CD GLU A 63 0.118 -12.506 -2.318 1.00 0.00 C ATOM 900 OE1 GLU A 63 -1.016 -12.974 -2.086 1.00 0.00 O ATOM 901 OE2 GLU A 63 0.522 -12.227 -3.467 1.00 0.00 O ATOM 0 H GLU A 63 2.321 -9.391 -1.221 1.00 0.00 H new ATOM 0 HA GLU A 63 1.409 -9.823 1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.161 -11.287 0.317 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.318 -10.260 -1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.070 -12.151 -1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.045 -13.139 -0.497 1.00 0.00 H new ATOM 908 N ALA A 64 3.497 -12.226 0.452 1.00 0.00 N ATOM 909 CA ALA A 64 4.285 -13.331 0.985 1.00 0.00 C ATOM 910 C ALA A 64 5.194 -12.861 2.116 1.00 0.00 C ATOM 911 O ALA A 64 5.324 -13.532 3.141 1.00 0.00 O ATOM 912 CB ALA A 64 5.107 -13.974 -0.122 1.00 0.00 C ATOM 0 H ALA A 64 3.722 -11.973 -0.510 1.00 0.00 H new ATOM 0 HA ALA A 64 3.598 -14.073 1.391 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.691 -14.797 0.290 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.441 -14.353 -0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.780 -13.233 -0.553 1.00 0.00 H new ATOM 918 N LEU A 65 5.821 -11.706 1.924 1.00 0.00 N ATOM 919 CA LEU A 65 6.718 -11.146 2.929 1.00 0.00 C ATOM 920 C LEU A 65 5.985 -10.914 4.246 1.00 0.00 C ATOM 921 O LEU A 65 4.787 -11.177 4.356 1.00 0.00 O ATOM 922 CB LEU A 65 7.321 -9.832 2.428 1.00 0.00 C ATOM 923 CG LEU A 65 8.563 -9.957 1.546 1.00 0.00 C ATOM 924 CD1 LEU A 65 8.828 -8.652 0.811 1.00 0.00 C ATOM 925 CD2 LEU A 65 9.772 -10.357 2.379 1.00 0.00 C ATOM 0 H LEU A 65 5.725 -11.139 1.082 1.00 0.00 H new ATOM 0 HA LEU A 65 7.520 -11.863 3.104 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.555 -9.294 1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.574 -9.219 3.293 1.00 0.00 H new ATOM 0 HG LEU A 65 8.383 -10.737 0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.716 -8.759 0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.971 -8.408 0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.987 -7.853 1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.647 -10.441 1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.955 -9.600 3.142 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.582 -11.317 2.859 1.00 0.00 H new ATOM 937 N ASP A 66 6.710 -10.417 5.241 1.00 0.00 N ATOM 938 CA ASP A 66 6.128 -10.145 6.550 1.00 0.00 C ATOM 939 C ASP A 66 6.009 -8.643 6.791 1.00 0.00 C ATOM 940 O ASP A 66 6.480 -7.836 5.989 1.00 0.00 O ATOM 941 CB ASP A 66 6.974 -10.785 7.652 1.00 0.00 C ATOM 942 CG ASP A 66 8.351 -10.161 7.760 1.00 0.00 C ATOM 943 OD1 ASP A 66 8.464 -9.076 8.369 1.00 0.00 O ATOM 944 OD2 ASP A 66 9.316 -10.756 7.236 1.00 0.00 O ATOM 0 H ASP A 66 7.703 -10.194 5.166 1.00 0.00 H new ATOM 0 HA ASP A 66 5.128 -10.579 6.572 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.457 -10.686 8.607 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.076 -11.852 7.454 1.00 0.00 H new ATOM 949 N HIS A 67 5.375 -8.275 7.900 1.00 0.00 N ATOM 950 CA HIS A 67 5.194 -6.869 8.246 1.00 0.00 C ATOM 951 C HIS A 67 6.401 -6.043 7.814 1.00 0.00 C ATOM 952 O HIS A 67 6.261 -5.039 7.116 1.00 0.00 O ATOM 953 CB HIS A 67 4.969 -6.718 9.751 1.00 0.00 C ATOM 954 CG HIS A 67 4.972 -5.294 10.216 1.00 0.00 C ATOM 955 ND1 HIS A 67 5.895 -4.315 10.066 1.00 0.00 N flip ATOM 956 CD2 HIS A 67 3.935 -4.734 10.932 1.00 0.00 C flip ATOM 957 CE1 HIS A 67 5.403 -3.193 10.686 1.00 0.00 C flip ATOM 958 NE2 HIS A 67 4.219 -3.472 11.201 1.00 0.00 N flip ATOM 0 H HIS A 67 4.978 -8.930 8.574 1.00 0.00 H new ATOM 0 HA HIS A 67 4.316 -6.500 7.716 1.00 0.00 H new ATOM 0 HB2 HIS A 67 4.016 -7.176 10.016 1.00 0.00 H new ATOM 0 HB3 HIS A 67 5.746 -7.267 10.283 1.00 0.00 H new ATOM 0 HD2 HIS A 67 3.032 -5.247 11.227 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.903 -2.237 10.743 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.625 -2.824 11.718 1.00 0.00 H new ATOM 967 N ASP A 68 7.586 -6.472 8.234 1.00 0.00 N ATOM 968 CA ASP A 68 8.819 -5.773 7.890 1.00 0.00 C ATOM 969 C ASP A 68 9.046 -5.781 6.381 1.00 0.00 C ATOM 970 O ASP A 68 9.096 -4.730 5.745 1.00 0.00 O ATOM 971 CB ASP A 68 10.010 -6.415 8.601 1.00 0.00 C ATOM 972 CG ASP A 68 9.792 -6.543 10.096 1.00 0.00 C ATOM 973 OD1 ASP A 68 9.577 -5.505 10.755 1.00 0.00 O ATOM 974 OD2 ASP A 68 9.836 -7.682 10.607 1.00 0.00 O ATOM 0 H ASP A 68 7.719 -7.301 8.813 1.00 0.00 H new ATOM 0 HA ASP A 68 8.725 -4.738 8.219 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.193 -7.403 8.178 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.904 -5.819 8.417 1.00 0.00 H new ATOM 979 N GLY A 69 9.184 -6.977 5.816 1.00 0.00 N ATOM 980 CA GLY A 69 9.406 -7.100 4.387 1.00 0.00 C ATOM 981 C GLY A 69 8.543 -6.148 3.582 1.00 0.00 C ATOM 982 O GLY A 69 9.055 -5.330 2.818 1.00 0.00 O ATOM 0 H GLY A 69 9.146 -7.862 6.322 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.456 -6.907 4.168 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.198 -8.124 4.077 1.00 0.00 H new ATOM 986 N VAL A 70 7.229 -6.256 3.751 1.00 0.00 N ATOM 987 CA VAL A 70 6.293 -5.398 3.034 1.00 0.00 C ATOM 988 C VAL A 70 6.637 -3.925 3.230 1.00 0.00 C ATOM 989 O VAL A 70 6.821 -3.186 2.263 1.00 0.00 O ATOM 990 CB VAL A 70 4.844 -5.641 3.494 1.00 0.00 C ATOM 991 CG1 VAL A 70 3.890 -4.700 2.774 1.00 0.00 C ATOM 992 CG2 VAL A 70 4.448 -7.092 3.264 1.00 0.00 C ATOM 0 H VAL A 70 6.789 -6.929 4.378 1.00 0.00 H new ATOM 0 HA VAL A 70 6.378 -5.650 1.977 1.00 0.00 H new ATOM 0 HB VAL A 70 4.782 -5.436 4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.871 -4.887 3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.162 -3.668 2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.953 -4.871 1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.421 -7.246 3.595 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.526 -7.327 2.202 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.113 -7.745 3.830 1.00 0.00 H new ATOM 1002 N VAL A 71 6.722 -3.506 4.488 1.00 0.00 N ATOM 1003 CA VAL A 71 7.046 -2.121 4.812 1.00 0.00 C ATOM 1004 C VAL A 71 8.445 -1.756 4.329 1.00 0.00 C ATOM 1005 O VAL A 71 8.791 -0.580 4.231 1.00 0.00 O ATOM 1006 CB VAL A 71 6.954 -1.863 6.327 1.00 0.00 C ATOM 1007 CG1 VAL A 71 7.223 -0.398 6.637 1.00 0.00 C ATOM 1008 CG2 VAL A 71 5.592 -2.286 6.858 1.00 0.00 C ATOM 0 H VAL A 71 6.571 -4.105 5.300 1.00 0.00 H new ATOM 0 HA VAL A 71 6.314 -1.497 4.300 1.00 0.00 H new ATOM 0 HB VAL A 71 7.716 -2.462 6.826 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.154 -0.235 7.713 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.222 -0.131 6.293 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.486 0.223 6.128 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.545 -2.097 7.930 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.812 -1.716 6.354 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.443 -3.349 6.671 1.00 0.00 H new ATOM 1018 N GLU A 72 9.246 -2.774 4.029 1.00 0.00 N ATOM 1019 CA GLU A 72 10.609 -2.560 3.557 1.00 0.00 C ATOM 1020 C GLU A 72 10.621 -2.215 2.070 1.00 0.00 C ATOM 1021 O GLU A 72 11.359 -1.331 1.634 1.00 0.00 O ATOM 1022 CB GLU A 72 11.462 -3.805 3.809 1.00 0.00 C ATOM 1023 CG GLU A 72 12.946 -3.509 3.940 1.00 0.00 C ATOM 1024 CD GLU A 72 13.740 -4.709 4.419 1.00 0.00 C ATOM 1025 OE1 GLU A 72 13.849 -5.692 3.657 1.00 0.00 O ATOM 1026 OE2 GLU A 72 14.253 -4.664 5.557 1.00 0.00 O ATOM 0 H GLU A 72 8.975 -3.754 4.104 1.00 0.00 H new ATOM 0 HA GLU A 72 11.031 -1.722 4.111 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.116 -4.294 4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.311 -4.510 2.991 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.334 -3.183 2.975 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.088 -2.683 4.637 1.00 0.00 H new ATOM 1033 N MET A 73 9.799 -2.918 1.298 1.00 0.00 N ATOM 1034 CA MET A 73 9.715 -2.686 -0.139 1.00 0.00 C ATOM 1035 C MET A 73 9.364 -1.232 -0.435 1.00 0.00 C ATOM 1036 O MET A 73 9.921 -0.622 -1.348 1.00 0.00 O ATOM 1037 CB MET A 73 8.673 -3.613 -0.767 1.00 0.00 C ATOM 1038 CG MET A 73 9.048 -5.085 -0.699 1.00 0.00 C ATOM 1039 SD MET A 73 10.138 -5.586 -2.045 1.00 0.00 S ATOM 1040 CE MET A 73 9.559 -7.255 -2.345 1.00 0.00 C ATOM 0 H MET A 73 9.182 -3.653 1.643 1.00 0.00 H new ATOM 0 HA MET A 73 10.691 -2.901 -0.574 1.00 0.00 H new ATOM 0 HB2 MET A 73 7.718 -3.466 -0.263 1.00 0.00 H new ATOM 0 HB3 MET A 73 8.530 -3.331 -1.810 1.00 0.00 H new ATOM 0 HG2 MET A 73 9.537 -5.288 0.254 1.00 0.00 H new ATOM 0 HG3 MET A 73 8.141 -5.689 -0.727 1.00 0.00 H new ATOM 0 HE1 MET A 73 9.672 -7.495 -3.402 1.00 0.00 H new ATOM 0 HE2 MET A 73 10.144 -7.956 -1.749 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.508 -7.331 -2.066 1.00 0.00 H new ATOM 1050 N ILE A 74 8.436 -0.682 0.342 1.00 0.00 N ATOM 1051 CA ILE A 74 8.011 0.701 0.162 1.00 0.00 C ATOM 1052 C ILE A 74 9.200 1.654 0.232 1.00 0.00 C ATOM 1053 O ILE A 74 9.345 2.543 -0.608 1.00 0.00 O ATOM 1054 CB ILE A 74 6.974 1.113 1.223 1.00 0.00 C ATOM 1055 CG1 ILE A 74 5.672 0.335 1.024 1.00 0.00 C ATOM 1056 CG2 ILE A 74 6.717 2.611 1.158 1.00 0.00 C ATOM 1057 CD1 ILE A 74 4.883 0.141 2.300 1.00 0.00 C ATOM 0 H ILE A 74 7.965 -1.173 1.102 1.00 0.00 H new ATOM 0 HA ILE A 74 7.554 0.766 -0.825 1.00 0.00 H new ATOM 0 HB ILE A 74 7.371 0.874 2.210 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.051 0.861 0.299 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.903 -0.641 0.597 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.982 2.887 1.914 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.647 3.148 1.343 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.338 2.873 0.170 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.973 -0.418 2.084 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.486 -0.412 3.020 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.621 1.113 2.717 1.00 0.00 H new ATOM 1069 N ARG A 75 10.047 1.462 1.237 1.00 0.00 N ATOM 1070 CA ARG A 75 11.224 2.304 1.416 1.00 0.00 C ATOM 1071 C ARG A 75 12.280 1.994 0.360 1.00 0.00 C ATOM 1072 O ARG A 75 13.056 2.866 -0.033 1.00 0.00 O ATOM 1073 CB ARG A 75 11.811 2.106 2.814 1.00 0.00 C ATOM 1074 CG ARG A 75 10.836 2.423 3.936 1.00 0.00 C ATOM 1075 CD ARG A 75 11.354 1.936 5.280 1.00 0.00 C ATOM 1076 NE ARG A 75 12.405 2.802 5.808 1.00 0.00 N ATOM 1077 CZ ARG A 75 12.181 4.021 6.286 1.00 0.00 C ATOM 1078 NH1 ARG A 75 10.951 4.515 6.302 1.00 0.00 N ATOM 1079 NH2 ARG A 75 13.190 4.748 6.749 1.00 0.00 N ATOM 0 H ARG A 75 9.941 0.731 1.940 1.00 0.00 H new ATOM 0 HA ARG A 75 10.917 3.344 1.303 1.00 0.00 H new ATOM 0 HB2 ARG A 75 12.145 1.073 2.915 1.00 0.00 H new ATOM 0 HB3 ARG A 75 12.693 2.738 2.921 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.666 3.499 3.979 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.874 1.957 3.725 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.530 1.891 5.992 1.00 0.00 H new ATOM 0 HD3 ARG A 75 11.739 0.922 5.174 1.00 0.00 H new ATOM 0 HE ARG A 75 13.363 2.452 5.810 1.00 0.00 H new ATOM 0 HH11 ARG A 75 10.173 3.959 5.947 1.00 0.00 H new ATOM 0 HH12 ARG A 75 10.782 5.451 6.670 1.00 0.00 H new ATOM 0 HH21 ARG A 75 14.138 4.371 6.738 1.00 0.00 H new ATOM 0 HH22 ARG A 75 13.018 5.684 7.116 1.00 0.00 H new ATOM 1093 N LYS A 76 12.305 0.746 -0.096 1.00 0.00 N ATOM 1094 CA LYS A 76 13.265 0.319 -1.107 1.00 0.00 C ATOM 1095 C LYS A 76 12.950 0.953 -2.459 1.00 0.00 C ATOM 1096 O LYS A 76 13.662 0.736 -3.438 1.00 0.00 O ATOM 1097 CB LYS A 76 13.260 -1.206 -1.233 1.00 0.00 C ATOM 1098 CG LYS A 76 14.014 -1.910 -0.118 1.00 0.00 C ATOM 1099 CD LYS A 76 14.497 -3.284 -0.553 1.00 0.00 C ATOM 1100 CE LYS A 76 13.344 -4.269 -0.668 1.00 0.00 C ATOM 1101 NZ LYS A 76 13.017 -4.896 0.642 1.00 0.00 N ATOM 0 H LYS A 76 11.671 0.012 0.219 1.00 0.00 H new ATOM 0 HA LYS A 76 14.256 0.648 -0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.229 -1.558 -1.242 1.00 0.00 H new ATOM 0 HB3 LYS A 76 13.700 -1.485 -2.190 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.867 -1.303 0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.367 -2.010 0.754 1.00 0.00 H new ATOM 0 HD2 LYS A 76 15.006 -3.205 -1.513 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.227 -3.659 0.165 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.464 -3.754 -1.054 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.601 -5.046 -1.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.952 -5.928 0.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.763 -4.671 1.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.107 -4.528 0.985 1.00 0.00 H new ATOM 1115 N GLY A 77 11.877 1.737 -2.504 1.00 0.00 N ATOM 1116 CA GLY A 77 11.487 2.391 -3.740 1.00 0.00 C ATOM 1117 C GLY A 77 11.874 3.856 -3.768 1.00 0.00 C ATOM 1118 O GLY A 77 11.180 4.677 -4.365 1.00 0.00 O ATOM 0 H GLY A 77 11.271 1.931 -1.707 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.954 1.879 -4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.409 2.301 -3.871 1.00 0.00 H new ATOM 1122 N GLY A 78 12.986 4.186 -3.117 1.00 0.00 N ATOM 1123 CA GLY A 78 13.443 5.562 -3.081 1.00 0.00 C ATOM 1124 C GLY A 78 12.468 6.479 -2.370 1.00 0.00 C ATOM 1125 O GLY A 78 12.258 6.357 -1.163 1.00 0.00 O ATOM 0 H GLY A 78 13.578 3.525 -2.614 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.410 5.607 -2.581 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.594 5.918 -4.100 1.00 0.00 H new ATOM 1129 N ASP A 79 11.871 7.400 -3.118 1.00 0.00 N ATOM 1130 CA ASP A 79 10.913 8.342 -2.551 1.00 0.00 C ATOM 1131 C ASP A 79 9.484 7.946 -2.911 1.00 0.00 C ATOM 1132 O ASP A 79 8.596 7.951 -2.059 1.00 0.00 O ATOM 1133 CB ASP A 79 11.203 9.759 -3.048 1.00 0.00 C ATOM 1134 CG ASP A 79 10.588 10.822 -2.160 1.00 0.00 C ATOM 1135 OD1 ASP A 79 9.343 10.881 -2.080 1.00 0.00 O ATOM 1136 OD2 ASP A 79 11.351 11.594 -1.543 1.00 0.00 O ATOM 0 H ASP A 79 12.033 7.515 -4.118 1.00 0.00 H new ATOM 0 HA ASP A 79 11.016 8.318 -1.466 1.00 0.00 H new ATOM 0 HB2 ASP A 79 12.281 9.910 -3.097 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.819 9.871 -4.062 1.00 0.00 H new ATOM 1141 N GLN A 80 9.271 7.605 -4.178 1.00 0.00 N ATOM 1142 CA GLN A 80 7.950 7.209 -4.650 1.00 0.00 C ATOM 1143 C GLN A 80 7.866 5.696 -4.826 1.00 0.00 C ATOM 1144 O GLN A 80 8.882 5.024 -5.013 1.00 0.00 O ATOM 1145 CB GLN A 80 7.626 7.907 -5.972 1.00 0.00 C ATOM 1146 CG GLN A 80 8.430 7.381 -7.150 1.00 0.00 C ATOM 1147 CD GLN A 80 8.290 8.248 -8.385 1.00 0.00 C ATOM 1148 OE1 GLN A 80 9.048 9.200 -8.579 1.00 0.00 O ATOM 1149 NE2 GLN A 80 7.318 7.924 -9.230 1.00 0.00 N ATOM 0 H GLN A 80 9.996 7.595 -4.895 1.00 0.00 H new ATOM 0 HA GLN A 80 7.219 7.511 -3.900 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.564 7.788 -6.185 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.812 8.976 -5.864 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.482 7.322 -6.870 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.105 6.367 -7.384 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.713 7.127 -9.030 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.176 8.472 -10.079 1.00 0.00 H new ATOM 1158 N THR A 81 6.649 5.164 -4.765 1.00 0.00 N ATOM 1159 CA THR A 81 6.433 3.731 -4.917 1.00 0.00 C ATOM 1160 C THR A 81 4.993 3.431 -5.316 1.00 0.00 C ATOM 1161 O THR A 81 4.061 4.099 -4.868 1.00 0.00 O ATOM 1162 CB THR A 81 6.762 2.973 -3.617 1.00 0.00 C ATOM 1163 OG1 THR A 81 6.599 1.564 -3.817 1.00 0.00 O ATOM 1164 CG2 THR A 81 5.865 3.436 -2.479 1.00 0.00 C ATOM 0 H THR A 81 5.798 5.705 -4.611 1.00 0.00 H new ATOM 0 HA THR A 81 7.104 3.392 -5.707 1.00 0.00 H new ATOM 0 HB THR A 81 7.798 3.184 -3.351 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.812 1.089 -2.987 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.116 2.887 -1.572 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.013 4.503 -2.310 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.823 3.251 -2.739 1.00 0.00 H new ATOM 1172 N THR A 82 4.816 2.421 -6.162 1.00 0.00 N ATOM 1173 CA THR A 82 3.489 2.033 -6.623 1.00 0.00 C ATOM 1174 C THR A 82 2.946 0.863 -5.811 1.00 0.00 C ATOM 1175 O THR A 82 3.643 -0.128 -5.587 1.00 0.00 O ATOM 1176 CB THR A 82 3.502 1.646 -8.114 1.00 0.00 C ATOM 1177 OG1 THR A 82 4.063 2.710 -8.891 1.00 0.00 O ATOM 1178 CG2 THR A 82 2.096 1.339 -8.605 1.00 0.00 C ATOM 0 H THR A 82 5.576 1.857 -6.542 1.00 0.00 H new ATOM 0 HA THR A 82 2.841 2.899 -6.486 1.00 0.00 H new ATOM 0 HB THR A 82 4.113 0.751 -8.230 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.069 2.456 -9.837 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.130 1.068 -9.660 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.683 0.510 -8.031 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.465 2.219 -8.476 1.00 0.00 H new ATOM 1186 N LEU A 83 1.698 0.983 -5.372 1.00 0.00 N ATOM 1187 CA LEU A 83 1.060 -0.067 -4.584 1.00 0.00 C ATOM 1188 C LEU A 83 -0.067 -0.729 -5.371 1.00 0.00 C ATOM 1189 O LEU A 83 -0.646 -0.125 -6.274 1.00 0.00 O ATOM 1190 CB LEU A 83 0.514 0.510 -3.277 1.00 0.00 C ATOM 1191 CG LEU A 83 1.274 1.705 -2.701 1.00 0.00 C ATOM 1192 CD1 LEU A 83 0.680 2.123 -1.365 1.00 0.00 C ATOM 1193 CD2 LEU A 83 2.752 1.374 -2.550 1.00 0.00 C ATOM 0 H LEU A 83 1.108 1.796 -5.548 1.00 0.00 H new ATOM 0 HA LEU A 83 1.811 -0.823 -4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.522 0.808 -3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.504 -0.283 -2.529 1.00 0.00 H new ATOM 0 HG LEU A 83 1.178 2.541 -3.394 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.234 2.975 -0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.365 2.402 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.744 1.292 -0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.278 2.236 -2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.868 0.524 -1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.171 1.125 -3.525 1.00 0.00 H new ATOM 1205 N LEU A 84 -0.374 -1.973 -5.021 1.00 0.00 N ATOM 1206 CA LEU A 84 -1.433 -2.718 -5.692 1.00 0.00 C ATOM 1207 C LEU A 84 -2.399 -3.324 -4.679 1.00 0.00 C ATOM 1208 O LEU A 84 -2.132 -4.380 -4.105 1.00 0.00 O ATOM 1209 CB LEU A 84 -0.833 -3.822 -6.565 1.00 0.00 C ATOM 1210 CG LEU A 84 -1.831 -4.669 -7.356 1.00 0.00 C ATOM 1211 CD1 LEU A 84 -2.640 -3.795 -8.303 1.00 0.00 C ATOM 1212 CD2 LEU A 84 -1.108 -5.765 -8.125 1.00 0.00 C ATOM 0 H LEU A 84 0.096 -2.487 -4.276 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.987 -2.024 -6.324 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.138 -3.364 -7.269 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.249 -4.485 -5.927 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.518 -5.139 -6.652 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.345 -4.415 -8.857 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.188 -3.047 -7.730 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.968 -3.296 -9.001 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.833 -6.358 -8.682 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.398 -5.315 -8.819 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.574 -6.408 -7.426 1.00 0.00 H new ATOM 1224 N VAL A 85 -3.525 -2.649 -4.466 1.00 0.00 N ATOM 1225 CA VAL A 85 -4.533 -3.122 -3.524 1.00 0.00 C ATOM 1226 C VAL A 85 -5.794 -3.575 -4.252 1.00 0.00 C ATOM 1227 O VAL A 85 -6.060 -3.153 -5.378 1.00 0.00 O ATOM 1228 CB VAL A 85 -4.906 -2.029 -2.505 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -3.668 -1.263 -2.067 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -5.946 -1.087 -3.092 1.00 0.00 C ATOM 0 H VAL A 85 -3.762 -1.774 -4.933 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.098 -3.969 -2.993 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.337 -2.508 -1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.951 -0.495 -1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.960 -1.950 -1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.205 -0.794 -2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.198 -0.321 -2.359 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.544 -0.614 -3.988 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.842 -1.650 -3.351 1.00 0.00 H new ATOM 1240 N LEU A 86 -6.568 -4.437 -3.601 1.00 0.00 N ATOM 1241 CA LEU A 86 -7.803 -4.948 -4.185 1.00 0.00 C ATOM 1242 C LEU A 86 -9.017 -4.223 -3.613 1.00 0.00 C ATOM 1243 O LEU A 86 -9.024 -3.828 -2.447 1.00 0.00 O ATOM 1244 CB LEU A 86 -7.926 -6.452 -3.931 1.00 0.00 C ATOM 1245 CG LEU A 86 -7.326 -7.365 -5.001 1.00 0.00 C ATOM 1246 CD1 LEU A 86 -8.215 -7.398 -6.234 1.00 0.00 C ATOM 1247 CD2 LEU A 86 -5.921 -6.906 -5.366 1.00 0.00 C ATOM 0 H LEU A 86 -6.362 -4.796 -2.669 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.769 -4.769 -5.260 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.448 -6.679 -2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.983 -6.697 -3.824 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.264 -8.375 -4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.772 -8.053 -6.985 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.201 -7.774 -5.961 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.310 -6.391 -6.641 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.509 -7.567 -6.129 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.960 -5.887 -5.751 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.287 -6.935 -4.480 1.00 0.00 H new