USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 765 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 SER OG : rot -14:sc= 0.812 USER MOD Single : A 9 THR OG1 : rot 15:sc= 0.387 USER MOD Single : A 11 ASN : amide:sc= -0.551 K(o=-0.55,f=-3.6) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.612 USER MOD Single : A 22 GLN : amide:sc= -0.121 K(o=-0.12,f=-3) USER MOD Single : A 24 LYS NZ :NH3+ -94:sc= -0.13 (180deg=-0.733) USER MOD Single : A 26 SER OG : rot 180:sc= -0.198 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -1.35! C(o=-1.3!,f=-6.1!) USER MOD Single : A 39 LYS NZ :NH3+ 176:sc= 0.329 (180deg=0.285) USER MOD Single : A 43 THR OG1 : rot -55:sc= 0.576 USER MOD Single : A 50 GLN :FLIP amide:sc= -12.2! C(o=-19!,f=-12!) USER MOD Single : A 52 ASN : amide:sc= -0.605 X(o=-0.6,f=-0.5) USER MOD Single : A 53 SER OG : rot -100:sc= 0.896 USER MOD Single : A 54 HIS : no HD1:sc= -0.331 X(o=-0.33,f=-0.45) USER MOD Single : A 57 LYS NZ :NH3+ 152:sc= -0.123 (180deg=-0.747) USER MOD Single : A 61 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0155) USER MOD Single : A 62 GLN : amide:sc= -0.0493 X(o=-0.049,f=-0.099) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -1.09 K(o=-1.1,f=-2.4) USER MOD Single : A 74 LYS NZ :NH3+ 152:sc= -0.217 (180deg=-1.27!) USER MOD Single : A 80 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-1.3) USER MOD Single : A 81 LYS NZ :NH3+ -117:sc= -2.49! (180deg=-6.64!) USER MOD Single : A 82 GLN : amide:sc= -1.34 X(o=-1.3,f=-1.2) USER MOD Single : A 84 LYS NZ :NH3+ 142:sc= -2.16 (180deg=-4.06!) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 89 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.17) USER MOD Single : A 90 GLN :FLIP amide:sc= 0.175 F(o=-3.8,f=0.18) USER MOD Single : A 100 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.066) USER MOD ----------------------------------------------------------------- ATOM 69 N SER A 6 12.675 -0.501 6.375 1.00 0.00 N ATOM 70 CA SER A 6 12.323 -0.281 4.987 1.00 0.00 C ATOM 71 C SER A 6 10.887 -0.714 4.736 1.00 0.00 C ATOM 72 O SER A 6 10.561 -1.902 4.779 1.00 0.00 O ATOM 73 CB SER A 6 13.268 -1.039 4.051 1.00 0.00 C ATOM 74 OG SER A 6 14.114 -1.891 4.813 1.00 0.00 O ATOM 0 HA SER A 6 12.419 0.785 4.779 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.693 -1.627 3.335 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.868 -0.334 3.475 1.00 0.00 H new ATOM 0 HG SER A 6 14.068 -1.637 5.758 1.00 0.00 H new ATOM 80 N ALA A 7 10.043 0.268 4.478 1.00 0.00 N ATOM 81 CA ALA A 7 8.634 0.025 4.217 1.00 0.00 C ATOM 82 C ALA A 7 8.059 1.138 3.351 1.00 0.00 C ATOM 83 O ALA A 7 6.993 0.988 2.763 1.00 0.00 O ATOM 84 CB ALA A 7 7.859 -0.047 5.530 1.00 0.00 C ATOM 0 H ALA A 7 10.311 1.251 4.443 1.00 0.00 H new ATOM 0 HA ALA A 7 8.540 -0.925 3.691 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.805 -0.229 5.321 1.00 0.00 H new ATOM 0 HB2 ALA A 7 8.253 -0.859 6.141 1.00 0.00 H new ATOM 0 HB3 ALA A 7 7.965 0.896 6.067 1.00 0.00 H new ATOM 90 N VAL A 8 8.768 2.262 3.273 1.00 0.00 N ATOM 91 CA VAL A 8 8.305 3.373 2.467 1.00 0.00 C ATOM 92 C VAL A 8 9.458 4.323 2.154 1.00 0.00 C ATOM 93 O VAL A 8 10.455 4.366 2.877 1.00 0.00 O ATOM 94 CB VAL A 8 7.163 4.114 3.189 1.00 0.00 C ATOM 95 CG1 VAL A 8 7.447 4.163 4.695 1.00 0.00 C ATOM 96 CG2 VAL A 8 7.029 5.549 2.659 1.00 0.00 C ATOM 0 H VAL A 8 9.653 2.420 3.754 1.00 0.00 H new ATOM 0 HA VAL A 8 7.921 2.986 1.523 1.00 0.00 H new ATOM 0 HB VAL A 8 6.234 3.576 3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.637 4.688 5.201 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.521 3.148 5.085 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.386 4.688 4.871 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.217 6.055 3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.961 6.088 2.828 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.813 5.524 1.591 1.00 0.00 H new ATOM 106 N THR A 9 9.315 5.068 1.062 1.00 0.00 N ATOM 107 CA THR A 9 10.351 6.003 0.641 1.00 0.00 C ATOM 108 C THR A 9 9.737 7.190 -0.106 1.00 0.00 C ATOM 109 O THR A 9 8.814 7.022 -0.903 1.00 0.00 O ATOM 110 CB THR A 9 11.348 5.264 -0.259 1.00 0.00 C ATOM 111 OG1 THR A 9 12.267 4.545 0.554 1.00 0.00 O ATOM 112 CG2 THR A 9 12.114 6.259 -1.137 1.00 0.00 C ATOM 0 H THR A 9 8.495 5.042 0.455 1.00 0.00 H new ATOM 0 HA THR A 9 10.866 6.392 1.519 1.00 0.00 H new ATOM 0 HB THR A 9 10.802 4.575 -0.904 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.920 4.489 1.469 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.818 5.719 -1.770 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.411 6.808 -1.763 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.659 6.959 -0.503 1.00 0.00 H new ATOM 120 N VAL A 10 10.263 8.385 0.163 1.00 0.00 N ATOM 121 CA VAL A 10 9.778 9.604 -0.477 1.00 0.00 C ATOM 122 C VAL A 10 10.804 10.101 -1.488 1.00 0.00 C ATOM 123 O VAL A 10 11.847 10.643 -1.119 1.00 0.00 O ATOM 124 CB VAL A 10 9.512 10.698 0.571 1.00 0.00 C ATOM 125 CG1 VAL A 10 8.060 11.169 0.463 1.00 0.00 C ATOM 126 CG2 VAL A 10 9.760 10.150 1.982 1.00 0.00 C ATOM 0 H VAL A 10 11.027 8.533 0.822 1.00 0.00 H new ATOM 0 HA VAL A 10 8.843 9.377 -0.989 1.00 0.00 H new ATOM 0 HB VAL A 10 10.187 11.534 0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.873 11.944 1.206 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.881 11.571 -0.534 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.390 10.327 0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.569 10.933 2.715 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.093 9.308 2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.795 9.819 2.067 1.00 0.00 H new ATOM 136 N ASN A 11 10.497 9.907 -2.762 1.00 0.00 N ATOM 137 CA ASN A 11 11.393 10.332 -3.836 1.00 0.00 C ATOM 138 C ASN A 11 11.035 11.740 -4.309 1.00 0.00 C ATOM 139 O ASN A 11 10.488 12.540 -3.548 1.00 0.00 O ATOM 140 CB ASN A 11 11.298 9.354 -5.014 1.00 0.00 C ATOM 141 CG ASN A 11 11.392 7.914 -4.514 1.00 0.00 C ATOM 142 OD1 ASN A 11 10.424 7.380 -3.975 1.00 0.00 O ATOM 143 ND2 ASN A 11 12.506 7.251 -4.667 1.00 0.00 N ATOM 0 H ASN A 11 9.637 9.460 -3.080 1.00 0.00 H new ATOM 0 HA ASN A 11 12.413 10.340 -3.451 1.00 0.00 H new ATOM 0 HB2 ASN A 11 10.357 9.502 -5.544 1.00 0.00 H new ATOM 0 HB3 ASN A 11 12.099 9.552 -5.726 1.00 0.00 H new ATOM 0 HD21 ASN A 11 12.575 6.288 -4.339 1.00 0.00 H new ATOM 0 HD22 ASN A 11 13.307 7.696 -5.114 1.00 0.00 H new ATOM 150 N ASP A 12 11.335 12.029 -5.575 1.00 0.00 N ATOM 151 CA ASP A 12 11.031 13.332 -6.156 1.00 0.00 C ATOM 152 C ASP A 12 9.870 13.186 -7.130 1.00 0.00 C ATOM 153 O ASP A 12 9.496 14.129 -7.828 1.00 0.00 O ATOM 154 CB ASP A 12 12.260 13.883 -6.886 1.00 0.00 C ATOM 155 CG ASP A 12 13.333 14.270 -5.872 1.00 0.00 C ATOM 156 OD1 ASP A 12 13.213 15.337 -5.290 1.00 0.00 O ATOM 157 OD2 ASP A 12 14.257 13.495 -5.691 1.00 0.00 O ATOM 0 H ASP A 12 11.788 11.377 -6.216 1.00 0.00 H new ATOM 0 HA ASP A 12 10.757 14.028 -5.363 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.651 13.134 -7.575 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.981 14.751 -7.483 1.00 0.00 H new ATOM 162 N ASP A 13 9.317 11.977 -7.166 1.00 0.00 N ATOM 163 CA ASP A 13 8.205 11.660 -8.048 1.00 0.00 C ATOM 164 C ASP A 13 6.926 11.469 -7.235 1.00 0.00 C ATOM 165 O ASP A 13 5.818 11.612 -7.755 1.00 0.00 O ATOM 166 CB ASP A 13 8.537 10.374 -8.807 1.00 0.00 C ATOM 167 CG ASP A 13 7.401 9.996 -9.754 1.00 0.00 C ATOM 168 OD1 ASP A 13 6.977 10.851 -10.515 1.00 0.00 O ATOM 169 OD2 ASP A 13 6.977 8.854 -9.707 1.00 0.00 O ATOM 0 H ASP A 13 9.627 11.196 -6.588 1.00 0.00 H new ATOM 0 HA ASP A 13 8.047 12.478 -8.751 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.459 10.508 -9.373 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.712 9.563 -8.100 1.00 0.00 H new ATOM 174 N GLY A 14 7.098 11.144 -5.957 1.00 0.00 N ATOM 175 CA GLY A 14 5.968 10.932 -5.062 1.00 0.00 C ATOM 176 C GLY A 14 6.412 10.157 -3.827 1.00 0.00 C ATOM 177 O GLY A 14 7.355 10.555 -3.139 1.00 0.00 O ATOM 0 H GLY A 14 8.011 11.022 -5.519 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.545 11.892 -4.765 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.182 10.384 -5.581 1.00 0.00 H new ATOM 181 N LEU A 15 5.734 9.046 -3.559 1.00 0.00 N ATOM 182 CA LEU A 15 6.072 8.219 -2.407 1.00 0.00 C ATOM 183 C LEU A 15 5.856 6.741 -2.714 1.00 0.00 C ATOM 184 O LEU A 15 4.942 6.374 -3.454 1.00 0.00 O ATOM 185 CB LEU A 15 5.233 8.636 -1.190 1.00 0.00 C ATOM 186 CG LEU A 15 3.748 8.328 -1.424 1.00 0.00 C ATOM 187 CD1 LEU A 15 3.080 8.001 -0.086 1.00 0.00 C ATOM 188 CD2 LEU A 15 3.064 9.549 -2.047 1.00 0.00 C ATOM 0 H LEU A 15 4.954 8.700 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 15 7.127 8.369 -2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.583 8.109 -0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.363 9.701 -1.000 1.00 0.00 H new ATOM 0 HG LEU A 15 3.656 7.476 -2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.025 7.782 -0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.566 7.133 0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.173 8.855 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.009 9.330 -2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.156 10.401 -1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.539 9.786 -2.999 1.00 0.00 H new ATOM 200 N VAL A 16 6.709 5.900 -2.138 1.00 0.00 N ATOM 201 CA VAL A 16 6.618 4.458 -2.344 1.00 0.00 C ATOM 202 C VAL A 16 6.051 3.791 -1.094 1.00 0.00 C ATOM 203 O VAL A 16 6.540 4.025 0.009 1.00 0.00 O ATOM 204 CB VAL A 16 8.007 3.884 -2.652 1.00 0.00 C ATOM 205 CG1 VAL A 16 7.867 2.498 -3.290 1.00 0.00 C ATOM 206 CG2 VAL A 16 8.747 4.815 -3.619 1.00 0.00 C ATOM 0 H VAL A 16 7.471 6.191 -1.525 1.00 0.00 H new ATOM 0 HA VAL A 16 5.956 4.262 -3.187 1.00 0.00 H new ATOM 0 HB VAL A 16 8.571 3.800 -1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.857 2.095 -3.506 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.347 1.832 -2.602 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.298 2.580 -4.216 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.733 4.405 -3.836 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.179 4.904 -4.545 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.856 5.800 -3.165 1.00 0.00 H new ATOM 216 N LEU A 17 5.024 2.963 -1.268 1.00 0.00 N ATOM 217 CA LEU A 17 4.413 2.279 -0.132 1.00 0.00 C ATOM 218 C LEU A 17 4.720 0.787 -0.181 1.00 0.00 C ATOM 219 O LEU A 17 4.084 0.028 -0.914 1.00 0.00 O ATOM 220 CB LEU A 17 2.897 2.504 -0.125 1.00 0.00 C ATOM 221 CG LEU A 17 2.488 3.177 1.190 1.00 0.00 C ATOM 222 CD1 LEU A 17 1.052 3.694 1.079 1.00 0.00 C ATOM 223 CD2 LEU A 17 2.581 2.162 2.336 1.00 0.00 C ATOM 0 H LEU A 17 4.602 2.751 -2.172 1.00 0.00 H new ATOM 0 HA LEU A 17 4.833 2.693 0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.607 3.127 -0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.377 1.553 -0.237 1.00 0.00 H new ATOM 0 HG LEU A 17 3.158 4.013 1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.764 4.172 2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.988 4.418 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.380 2.860 0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.290 2.641 3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.914 1.324 2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.605 1.799 2.418 1.00 0.00 H new ATOM 235 N ARG A 18 5.708 0.384 0.609 1.00 0.00 N ATOM 236 CA ARG A 18 6.124 -1.011 0.674 1.00 0.00 C ATOM 237 C ARG A 18 5.595 -1.655 1.951 1.00 0.00 C ATOM 238 O ARG A 18 5.793 -1.132 3.049 1.00 0.00 O ATOM 239 CB ARG A 18 7.657 -1.093 0.627 1.00 0.00 C ATOM 240 CG ARG A 18 8.230 0.191 0.014 1.00 0.00 C ATOM 241 CD ARG A 18 9.597 -0.098 -0.608 1.00 0.00 C ATOM 242 NE ARG A 18 10.435 1.094 -0.561 1.00 0.00 N ATOM 243 CZ ARG A 18 11.761 1.002 -0.536 1.00 0.00 C ATOM 244 NH1 ARG A 18 12.405 0.621 -1.604 1.00 0.00 N ATOM 245 NH2 ARG A 18 12.416 1.293 0.553 1.00 0.00 N ATOM 0 H ARG A 18 6.239 1.008 1.217 1.00 0.00 H new ATOM 0 HA ARG A 18 5.714 -1.551 -0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.053 -1.235 1.632 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.966 -1.957 0.038 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.550 0.578 -0.744 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.324 0.960 0.780 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.083 -0.914 -0.073 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.473 -0.423 -1.641 1.00 0.00 H new ATOM 0 HE ARG A 18 9.996 2.015 -0.547 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.891 0.395 -2.456 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.422 0.550 -1.588 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.911 1.592 1.387 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.433 1.222 0.571 1.00 0.00 H new ATOM 259 N LEU A 19 4.908 -2.785 1.809 1.00 0.00 N ATOM 260 CA LEU A 19 4.349 -3.462 2.974 1.00 0.00 C ATOM 261 C LEU A 19 4.271 -4.972 2.778 1.00 0.00 C ATOM 262 O LEU A 19 4.580 -5.499 1.709 1.00 0.00 O ATOM 263 CB LEU A 19 2.945 -2.919 3.273 1.00 0.00 C ATOM 264 CG LEU A 19 2.011 -3.170 2.080 1.00 0.00 C ATOM 265 CD1 LEU A 19 0.610 -3.541 2.587 1.00 0.00 C ATOM 266 CD2 LEU A 19 1.923 -1.903 1.222 1.00 0.00 C ATOM 0 H LEU A 19 4.727 -3.244 0.916 1.00 0.00 H new ATOM 0 HA LEU A 19 5.016 -3.264 3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.544 -3.400 4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.998 -1.851 3.484 1.00 0.00 H new ATOM 0 HG LEU A 19 2.407 -3.990 1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.049 -3.718 1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.670 -4.444 3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.213 -2.724 3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.260 -2.082 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.530 -1.083 1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.916 -1.642 0.856 1.00 0.00 H new ATOM 278 N TYR A 20 3.833 -5.646 3.836 1.00 0.00 N ATOM 279 CA TYR A 20 3.675 -7.094 3.834 1.00 0.00 C ATOM 280 C TYR A 20 2.190 -7.425 3.811 1.00 0.00 C ATOM 281 O TYR A 20 1.541 -7.490 4.858 1.00 0.00 O ATOM 282 CB TYR A 20 4.314 -7.681 5.096 1.00 0.00 C ATOM 283 CG TYR A 20 4.338 -9.191 5.016 1.00 0.00 C ATOM 284 CD1 TYR A 20 5.240 -9.842 4.164 1.00 0.00 C ATOM 285 CD2 TYR A 20 3.461 -9.939 5.808 1.00 0.00 C ATOM 286 CE1 TYR A 20 5.260 -11.241 4.105 1.00 0.00 C ATOM 287 CE2 TYR A 20 3.482 -11.334 5.752 1.00 0.00 C ATOM 288 CZ TYR A 20 4.379 -11.987 4.900 1.00 0.00 C ATOM 289 OH TYR A 20 4.400 -13.365 4.847 1.00 0.00 O ATOM 0 H TYR A 20 3.578 -5.203 4.719 1.00 0.00 H new ATOM 0 HA TYR A 20 4.162 -7.520 2.957 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.329 -7.300 5.210 1.00 0.00 H new ATOM 0 HB3 TYR A 20 3.754 -7.365 5.976 1.00 0.00 H new ATOM 0 HD1 TYR A 20 5.919 -9.265 3.553 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.766 -9.437 6.464 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.953 -11.745 3.448 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.805 -11.909 6.367 1.00 0.00 H new ATOM 0 HH TYR A 20 3.727 -13.726 5.461 1.00 0.00 H new ATOM 299 N ILE A 21 1.652 -7.606 2.614 1.00 0.00 N ATOM 300 CA ILE A 21 0.234 -7.899 2.465 1.00 0.00 C ATOM 301 C ILE A 21 -0.069 -9.350 2.840 1.00 0.00 C ATOM 302 O ILE A 21 0.669 -10.268 2.481 1.00 0.00 O ATOM 303 CB ILE A 21 -0.202 -7.593 1.023 1.00 0.00 C ATOM 304 CG1 ILE A 21 -1.694 -7.237 1.003 1.00 0.00 C ATOM 305 CG2 ILE A 21 0.058 -8.789 0.106 1.00 0.00 C ATOM 306 CD1 ILE A 21 -1.868 -5.728 1.196 1.00 0.00 C ATOM 0 H ILE A 21 2.171 -7.556 1.737 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.334 -7.266 3.146 1.00 0.00 H new ATOM 0 HB ILE A 21 0.383 -6.749 0.656 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.139 -7.546 0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.217 -7.777 1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.259 -8.546 -0.908 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.123 -9.023 0.107 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.504 -9.652 0.465 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.929 -5.479 1.181 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.439 -5.432 2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.360 -5.197 0.391 1.00 0.00 H new ATOM 318 N GLN A 22 -1.162 -9.534 3.578 1.00 0.00 N ATOM 319 CA GLN A 22 -1.578 -10.861 4.022 1.00 0.00 C ATOM 320 C GLN A 22 -3.027 -11.120 3.604 1.00 0.00 C ATOM 321 O GLN A 22 -3.963 -10.742 4.310 1.00 0.00 O ATOM 322 CB GLN A 22 -1.448 -10.962 5.549 1.00 0.00 C ATOM 323 CG GLN A 22 -0.770 -12.283 5.930 1.00 0.00 C ATOM 324 CD GLN A 22 -1.665 -13.463 5.557 1.00 0.00 C ATOM 325 OE1 GLN A 22 -1.763 -13.824 4.384 1.00 0.00 O ATOM 326 NE2 GLN A 22 -2.327 -14.091 6.491 1.00 0.00 N ATOM 0 H GLN A 22 -1.776 -8.778 3.881 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.936 -11.610 3.559 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.867 -10.122 5.929 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.433 -10.903 6.011 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.189 -12.369 5.419 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.563 -12.298 7.000 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.246 -13.792 7.463 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.925 -14.881 6.249 1.00 0.00 H new ATOM 335 N PRO A 23 -3.227 -11.744 2.471 1.00 0.00 N ATOM 336 CA PRO A 23 -4.589 -12.044 1.954 1.00 0.00 C ATOM 337 C PRO A 23 -5.264 -13.173 2.727 1.00 0.00 C ATOM 338 O PRO A 23 -4.596 -13.992 3.360 1.00 0.00 O ATOM 339 CB PRO A 23 -4.368 -12.427 0.481 1.00 0.00 C ATOM 340 CG PRO A 23 -2.895 -12.331 0.216 1.00 0.00 C ATOM 341 CD PRO A 23 -2.187 -12.236 1.566 1.00 0.00 C ATOM 0 HA PRO A 23 -5.258 -11.191 2.066 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.729 -13.437 0.287 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.922 -11.759 -0.178 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.548 -13.204 -0.338 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -2.672 -11.456 -0.395 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.804 -13.205 1.886 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.337 -11.555 1.525 1.00 0.00 H new ATOM 349 N LYS A 24 -6.596 -13.196 2.667 1.00 0.00 N ATOM 350 CA LYS A 24 -7.392 -14.215 3.359 1.00 0.00 C ATOM 351 C LYS A 24 -7.391 -13.982 4.870 1.00 0.00 C ATOM 352 O LYS A 24 -7.173 -14.913 5.647 1.00 0.00 O ATOM 353 CB LYS A 24 -6.862 -15.626 3.064 1.00 0.00 C ATOM 354 CG LYS A 24 -6.762 -15.848 1.552 1.00 0.00 C ATOM 355 CD LYS A 24 -6.130 -17.217 1.283 1.00 0.00 C ATOM 356 CE LYS A 24 -4.603 -17.095 1.315 1.00 0.00 C ATOM 357 NZ LYS A 24 -3.993 -18.408 0.961 1.00 0.00 N ATOM 0 H LYS A 24 -7.150 -12.518 2.144 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.413 -14.133 2.986 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.883 -15.758 3.524 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.524 -16.371 3.505 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.752 -15.796 1.099 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.161 -15.061 1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.463 -17.936 2.032 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.454 -17.594 0.313 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.274 -16.328 0.614 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.273 -16.784 2.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.788 -18.941 1.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.655 -18.950 0.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.110 -18.250 0.435 1.00 0.00 H new ATOM 371 N ALA A 25 -7.645 -12.742 5.281 1.00 0.00 N ATOM 372 CA ALA A 25 -7.680 -12.412 6.694 1.00 0.00 C ATOM 373 C ALA A 25 -9.117 -12.452 7.194 1.00 0.00 C ATOM 374 O ALA A 25 -9.494 -13.323 7.977 1.00 0.00 O ATOM 375 CB ALA A 25 -7.095 -11.014 6.897 1.00 0.00 C ATOM 0 H ALA A 25 -7.828 -11.957 4.656 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.091 -13.137 7.256 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.118 -10.760 7.957 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.065 -10.996 6.542 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.684 -10.288 6.337 1.00 0.00 H new ATOM 381 N SER A 26 -9.901 -11.493 6.713 1.00 0.00 N ATOM 382 CA SER A 26 -11.314 -11.363 7.068 1.00 0.00 C ATOM 383 C SER A 26 -11.742 -9.924 6.826 1.00 0.00 C ATOM 384 O SER A 26 -12.917 -9.632 6.605 1.00 0.00 O ATOM 385 CB SER A 26 -11.558 -11.719 8.540 1.00 0.00 C ATOM 386 OG SER A 26 -10.552 -11.117 9.345 1.00 0.00 O ATOM 0 H SER A 26 -9.574 -10.779 6.062 1.00 0.00 H new ATOM 0 HA SER A 26 -11.893 -12.052 6.453 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.544 -11.372 8.851 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.545 -12.801 8.671 1.00 0.00 H new ATOM 0 HG SER A 26 -10.708 -11.342 10.286 1.00 0.00 H new ATOM 392 N ARG A 27 -10.752 -9.040 6.865 1.00 0.00 N ATOM 393 CA ARG A 27 -10.976 -7.616 6.648 1.00 0.00 C ATOM 394 C ARG A 27 -9.634 -6.909 6.542 1.00 0.00 C ATOM 395 O ARG A 27 -8.704 -7.218 7.285 1.00 0.00 O ATOM 396 CB ARG A 27 -11.790 -7.023 7.801 1.00 0.00 C ATOM 397 CG ARG A 27 -11.956 -5.512 7.605 1.00 0.00 C ATOM 398 CD ARG A 27 -12.899 -4.958 8.679 1.00 0.00 C ATOM 399 NE ARG A 27 -14.262 -5.432 8.454 1.00 0.00 N ATOM 400 CZ ARG A 27 -15.201 -5.310 9.388 1.00 0.00 C ATOM 401 NH1 ARG A 27 -15.228 -4.253 10.156 1.00 0.00 N ATOM 402 NH2 ARG A 27 -16.098 -6.246 9.540 1.00 0.00 N ATOM 0 H ARG A 27 -9.779 -9.287 7.046 1.00 0.00 H new ATOM 0 HA ARG A 27 -11.536 -7.478 5.723 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -12.768 -7.501 7.849 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.291 -7.222 8.749 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -10.986 -5.018 7.667 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -12.356 -5.305 6.613 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -12.558 -5.268 9.667 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -12.879 -3.868 8.663 1.00 0.00 H new ATOM 0 HE ARG A 27 -14.499 -5.866 7.562 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -14.528 -3.520 10.040 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -15.949 -4.161 10.872 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -16.079 -7.072 8.942 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -16.818 -6.151 10.257 1.00 0.00 H new ATOM 416 N ASP A 28 -9.543 -5.960 5.623 1.00 0.00 N ATOM 417 CA ASP A 28 -8.306 -5.216 5.430 1.00 0.00 C ATOM 418 C ASP A 28 -8.028 -4.349 6.642 1.00 0.00 C ATOM 419 O ASP A 28 -8.521 -3.225 6.754 1.00 0.00 O ATOM 420 CB ASP A 28 -8.364 -4.347 4.176 1.00 0.00 C ATOM 421 CG ASP A 28 -9.716 -4.488 3.481 1.00 0.00 C ATOM 422 OD1 ASP A 28 -10.622 -3.752 3.837 1.00 0.00 O ATOM 423 OD2 ASP A 28 -9.826 -5.332 2.606 1.00 0.00 O ATOM 0 H ASP A 28 -10.305 -5.687 5.002 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.499 -5.938 5.303 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.194 -3.304 4.443 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.566 -4.635 3.491 1.00 0.00 H new ATOM 428 N SER A 29 -7.248 -4.901 7.550 1.00 0.00 N ATOM 429 CA SER A 29 -6.900 -4.202 8.785 1.00 0.00 C ATOM 430 C SER A 29 -5.387 -4.111 8.974 1.00 0.00 C ATOM 431 O SER A 29 -4.679 -5.117 8.910 1.00 0.00 O ATOM 432 CB SER A 29 -7.515 -4.931 9.979 1.00 0.00 C ATOM 433 OG SER A 29 -8.922 -4.722 9.985 1.00 0.00 O ATOM 0 H SER A 29 -6.840 -5.832 7.462 1.00 0.00 H new ATOM 0 HA SER A 29 -7.296 -3.189 8.717 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.295 -5.997 9.922 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.078 -4.565 10.908 1.00 0.00 H new ATOM 0 HG SER A 29 -9.319 -5.190 10.749 1.00 0.00 H new ATOM 439 N ILE A 30 -4.909 -2.894 9.236 1.00 0.00 N ATOM 440 CA ILE A 30 -3.481 -2.661 9.468 1.00 0.00 C ATOM 441 C ILE A 30 -3.167 -2.920 10.946 1.00 0.00 C ATOM 442 O ILE A 30 -2.786 -2.016 11.692 1.00 0.00 O ATOM 443 CB ILE A 30 -3.095 -1.219 9.076 1.00 0.00 C ATOM 444 CG1 ILE A 30 -4.356 -0.347 8.946 1.00 0.00 C ATOM 445 CG2 ILE A 30 -2.354 -1.240 7.735 1.00 0.00 C ATOM 446 CD1 ILE A 30 -3.971 1.063 8.484 1.00 0.00 C ATOM 0 H ILE A 30 -5.487 -2.056 9.293 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.898 -3.342 8.848 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.452 -0.801 9.850 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.047 -0.796 8.233 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.874 -0.296 9.904 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.080 -0.223 7.455 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.453 -1.847 7.827 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.001 -1.665 6.968 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.869 1.674 8.394 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.297 1.513 9.213 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.473 1.005 7.516 1.00 0.00 H new ATOM 458 N VAL A 31 -3.373 -4.170 11.351 1.00 0.00 N ATOM 459 CA VAL A 31 -3.164 -4.599 12.737 1.00 0.00 C ATOM 460 C VAL A 31 -1.768 -5.173 12.973 1.00 0.00 C ATOM 461 O VAL A 31 -1.541 -5.879 13.957 1.00 0.00 O ATOM 462 CB VAL A 31 -4.190 -5.662 13.107 1.00 0.00 C ATOM 463 CG1 VAL A 31 -5.497 -4.990 13.532 1.00 0.00 C ATOM 464 CG2 VAL A 31 -4.446 -6.580 11.906 1.00 0.00 C ATOM 0 H VAL A 31 -3.689 -4.916 10.731 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.275 -3.711 13.360 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.805 -6.258 13.935 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.229 -5.753 13.796 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.313 -4.349 14.395 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.881 -4.388 12.708 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.181 -7.338 12.178 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.825 -5.990 11.071 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.515 -7.066 11.614 1.00 0.00 H new ATOM 474 N GLY A 32 -0.848 -4.892 12.072 1.00 0.00 N ATOM 475 CA GLY A 32 0.508 -5.414 12.199 1.00 0.00 C ATOM 476 C GLY A 32 1.523 -4.395 11.722 1.00 0.00 C ATOM 477 O GLY A 32 2.619 -4.741 11.280 1.00 0.00 O ATOM 0 H GLY A 32 -1.007 -4.311 11.249 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.707 -5.673 13.239 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.606 -6.331 11.618 1.00 0.00 H new ATOM 481 N LEU A 33 1.154 -3.132 11.844 1.00 0.00 N ATOM 482 CA LEU A 33 2.032 -2.049 11.452 1.00 0.00 C ATOM 483 C LEU A 33 3.308 -2.104 12.279 1.00 0.00 C ATOM 484 O LEU A 33 3.286 -1.878 13.491 1.00 0.00 O ATOM 485 CB LEU A 33 1.308 -0.722 11.664 1.00 0.00 C ATOM 486 CG LEU A 33 0.226 -0.542 10.592 1.00 0.00 C ATOM 487 CD1 LEU A 33 -0.170 0.934 10.513 1.00 0.00 C ATOM 488 CD2 LEU A 33 0.758 -0.999 9.230 1.00 0.00 C ATOM 0 H LEU A 33 0.251 -2.833 12.212 1.00 0.00 H new ATOM 0 HA LEU A 33 2.299 -2.143 10.399 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.857 -0.698 12.656 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.020 0.102 11.617 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.644 -1.143 10.857 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.939 1.064 9.752 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.557 1.259 11.479 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.703 1.532 10.252 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.016 -0.868 8.474 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.631 -0.404 8.962 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.039 -2.051 9.283 1.00 0.00 H new ATOM 500 N HIS A 34 4.410 -2.438 11.620 1.00 0.00 N ATOM 501 CA HIS A 34 5.692 -2.563 12.301 1.00 0.00 C ATOM 502 C HIS A 34 6.550 -1.308 12.112 1.00 0.00 C ATOM 503 O HIS A 34 6.417 -0.591 11.122 1.00 0.00 O ATOM 504 CB HIS A 34 6.414 -3.807 11.768 1.00 0.00 C ATOM 505 CG HIS A 34 7.712 -4.021 12.503 1.00 0.00 C ATOM 506 ND1 HIS A 34 7.914 -3.575 13.799 1.00 0.00 N ATOM 507 CD2 HIS A 34 8.880 -4.644 12.137 1.00 0.00 C ATOM 508 CE1 HIS A 34 9.159 -3.931 14.163 1.00 0.00 C ATOM 509 NE2 HIS A 34 9.793 -4.585 13.186 1.00 0.00 N ATOM 0 H HIS A 34 4.442 -2.627 10.618 1.00 0.00 H new ATOM 0 HA HIS A 34 5.520 -2.670 13.372 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.775 -4.683 11.884 1.00 0.00 H new ATOM 0 HB3 HIS A 34 6.608 -3.693 10.701 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.063 -5.109 11.180 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.593 -3.714 15.128 1.00 0.00 H new ATOM 0 HE2 HIS A 34 10.741 -4.960 13.205 1.00 0.00 H new ATOM 517 N GLY A 35 7.427 -1.049 13.081 1.00 0.00 N ATOM 518 CA GLY A 35 8.303 0.119 13.024 1.00 0.00 C ATOM 519 C GLY A 35 9.321 -0.019 11.897 1.00 0.00 C ATOM 520 O GLY A 35 9.954 0.959 11.498 1.00 0.00 O ATOM 0 H GLY A 35 7.549 -1.629 13.911 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.707 1.019 12.873 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.822 0.237 13.976 1.00 0.00 H new ATOM 524 N ASP A 36 9.469 -1.240 11.389 1.00 0.00 N ATOM 525 CA ASP A 36 10.407 -1.505 10.305 1.00 0.00 C ATOM 526 C ASP A 36 9.678 -2.099 9.105 1.00 0.00 C ATOM 527 O ASP A 36 10.202 -2.107 7.991 1.00 0.00 O ATOM 528 CB ASP A 36 11.491 -2.478 10.777 1.00 0.00 C ATOM 529 CG ASP A 36 12.165 -1.938 12.036 1.00 0.00 C ATOM 530 OD1 ASP A 36 12.988 -1.048 11.908 1.00 0.00 O ATOM 531 OD2 ASP A 36 11.844 -2.422 13.109 1.00 0.00 O ATOM 0 H ASP A 36 8.952 -2.059 11.711 1.00 0.00 H new ATOM 0 HA ASP A 36 10.869 -0.563 10.009 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.051 -3.454 10.980 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.232 -2.620 9.990 1.00 0.00 H new ATOM 536 N GLU A 37 8.466 -2.600 9.346 1.00 0.00 N ATOM 537 CA GLU A 37 7.668 -3.202 8.282 1.00 0.00 C ATOM 538 C GLU A 37 6.202 -2.796 8.407 1.00 0.00 C ATOM 539 O GLU A 37 5.846 -1.959 9.232 1.00 0.00 O ATOM 540 CB GLU A 37 7.790 -4.730 8.342 1.00 0.00 C ATOM 541 CG GLU A 37 9.025 -5.181 7.558 1.00 0.00 C ATOM 542 CD GLU A 37 9.332 -6.644 7.865 1.00 0.00 C ATOM 543 OE1 GLU A 37 8.562 -7.493 7.443 1.00 0.00 O ATOM 544 OE2 GLU A 37 10.333 -6.896 8.516 1.00 0.00 O ATOM 0 H GLU A 37 8.019 -2.600 10.263 1.00 0.00 H new ATOM 0 HA GLU A 37 8.045 -2.844 7.324 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.866 -5.058 9.379 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.895 -5.192 7.926 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.854 -5.053 6.489 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.880 -4.558 7.821 1.00 0.00 H new ATOM 551 N VAL A 38 5.358 -3.397 7.580 1.00 0.00 N ATOM 552 CA VAL A 38 3.929 -3.103 7.596 1.00 0.00 C ATOM 553 C VAL A 38 3.148 -4.382 7.342 1.00 0.00 C ATOM 554 O VAL A 38 3.213 -4.945 6.253 1.00 0.00 O ATOM 555 CB VAL A 38 3.600 -2.066 6.516 1.00 0.00 C ATOM 556 CG1 VAL A 38 2.096 -2.072 6.212 1.00 0.00 C ATOM 557 CG2 VAL A 38 4.014 -0.675 7.003 1.00 0.00 C ATOM 0 H VAL A 38 5.637 -4.092 6.888 1.00 0.00 H new ATOM 0 HA VAL A 38 3.652 -2.699 8.570 1.00 0.00 H new ATOM 0 HB VAL A 38 4.146 -2.318 5.607 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.877 -1.331 5.443 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.800 -3.060 5.858 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.541 -1.830 7.118 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.781 0.063 6.236 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.471 -0.433 7.917 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.085 -0.664 7.204 1.00 0.00 H new ATOM 567 N LYS A 39 2.417 -4.848 8.347 1.00 0.00 N ATOM 568 CA LYS A 39 1.648 -6.071 8.188 1.00 0.00 C ATOM 569 C LYS A 39 0.156 -5.780 8.178 1.00 0.00 C ATOM 570 O LYS A 39 -0.434 -5.434 9.204 1.00 0.00 O ATOM 571 CB LYS A 39 1.993 -7.059 9.302 1.00 0.00 C ATOM 572 CG LYS A 39 3.198 -7.884 8.861 1.00 0.00 C ATOM 573 CD LYS A 39 3.187 -9.252 9.552 1.00 0.00 C ATOM 574 CE LYS A 39 1.958 -10.052 9.108 1.00 0.00 C ATOM 575 NZ LYS A 39 2.346 -11.472 8.881 1.00 0.00 N ATOM 0 H LYS A 39 2.342 -4.406 9.263 1.00 0.00 H new ATOM 0 HA LYS A 39 1.910 -6.517 7.228 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.217 -6.525 10.226 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.143 -7.710 9.508 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.181 -8.015 7.779 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.119 -7.354 9.104 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.097 -9.800 9.306 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.175 -9.122 10.634 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.179 -9.994 9.868 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.544 -9.626 8.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.500 -12.030 8.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.025 -11.525 8.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.784 -11.854 9.743 1.00 0.00 H new ATOM 589 N VAL A 40 -0.441 -5.934 7.004 1.00 0.00 N ATOM 590 CA VAL A 40 -1.868 -5.704 6.834 1.00 0.00 C ATOM 591 C VAL A 40 -2.526 -6.970 6.303 1.00 0.00 C ATOM 592 O VAL A 40 -2.032 -7.586 5.357 1.00 0.00 O ATOM 593 CB VAL A 40 -2.106 -4.534 5.867 1.00 0.00 C ATOM 594 CG1 VAL A 40 -1.695 -4.931 4.444 1.00 0.00 C ATOM 595 CG2 VAL A 40 -3.591 -4.152 5.878 1.00 0.00 C ATOM 0 H VAL A 40 0.043 -6.218 6.153 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.308 -5.449 7.798 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.505 -3.684 6.188 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.868 -4.094 3.768 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.637 -5.195 4.431 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.287 -5.787 4.120 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.758 -3.322 5.192 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.189 -5.008 5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.883 -3.854 6.885 1.00 0.00 H new ATOM 605 N ALA A 41 -3.633 -7.359 6.920 1.00 0.00 N ATOM 606 CA ALA A 41 -4.336 -8.560 6.498 1.00 0.00 C ATOM 607 C ALA A 41 -5.522 -8.195 5.620 1.00 0.00 C ATOM 608 O ALA A 41 -6.579 -7.817 6.118 1.00 0.00 O ATOM 609 CB ALA A 41 -4.824 -9.346 7.716 1.00 0.00 C ATOM 0 H ALA A 41 -4.059 -6.867 7.705 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.645 -9.180 5.927 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.348 -10.242 7.384 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.970 -9.631 8.331 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.502 -8.725 8.302 1.00 0.00 H new ATOM 615 N ILE A 42 -5.342 -8.318 4.310 1.00 0.00 N ATOM 616 CA ILE A 42 -6.414 -8.002 3.379 1.00 0.00 C ATOM 617 C ILE A 42 -7.324 -9.218 3.222 1.00 0.00 C ATOM 618 O ILE A 42 -6.879 -10.359 3.358 1.00 0.00 O ATOM 619 CB ILE A 42 -5.824 -7.585 2.022 1.00 0.00 C ATOM 620 CG1 ILE A 42 -6.949 -7.110 1.094 1.00 0.00 C ATOM 621 CG2 ILE A 42 -5.098 -8.771 1.379 1.00 0.00 C ATOM 622 CD1 ILE A 42 -6.345 -6.495 -0.173 1.00 0.00 C ATOM 0 H ILE A 42 -4.474 -8.630 3.874 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.002 -7.170 3.766 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.114 -6.773 2.179 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.595 -7.947 0.831 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.571 -6.376 1.606 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.683 -8.466 0.418 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.292 -9.102 2.033 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.802 -9.589 1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.146 -6.158 -0.831 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.717 -5.646 0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.742 -7.243 -0.688 1.00 0.00 H new ATOM 634 N THR A 43 -8.602 -8.967 2.961 1.00 0.00 N ATOM 635 CA THR A 43 -9.574 -10.050 2.813 1.00 0.00 C ATOM 636 C THR A 43 -9.758 -10.410 1.341 1.00 0.00 C ATOM 637 O THR A 43 -10.884 -10.514 0.848 1.00 0.00 O ATOM 638 CB THR A 43 -10.915 -9.628 3.430 1.00 0.00 C ATOM 639 OG1 THR A 43 -11.832 -10.712 3.361 1.00 0.00 O ATOM 640 CG2 THR A 43 -11.486 -8.423 2.675 1.00 0.00 C ATOM 0 H THR A 43 -8.990 -8.030 2.848 1.00 0.00 H new ATOM 0 HA THR A 43 -9.201 -10.932 3.335 1.00 0.00 H new ATOM 0 HB THR A 43 -10.756 -9.351 4.472 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.915 -11.012 2.432 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.437 -8.132 3.121 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.786 -7.590 2.737 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.642 -8.689 1.629 1.00 0.00 H new ATOM 648 N ALA A 44 -8.643 -10.587 0.641 1.00 0.00 N ATOM 649 CA ALA A 44 -8.686 -10.921 -0.777 1.00 0.00 C ATOM 650 C ALA A 44 -8.028 -12.280 -1.056 1.00 0.00 C ATOM 651 O ALA A 44 -7.031 -12.637 -0.426 1.00 0.00 O ATOM 652 CB ALA A 44 -7.993 -9.814 -1.569 1.00 0.00 C ATOM 0 H ALA A 44 -7.704 -10.505 1.030 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.728 -11.000 -1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.020 -10.055 -2.632 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.507 -8.868 -1.398 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.956 -9.728 -1.243 1.00 0.00 H new ATOM 658 N PRO A 45 -8.583 -13.037 -1.983 1.00 0.00 N ATOM 659 CA PRO A 45 -8.063 -14.391 -2.377 1.00 0.00 C ATOM 660 C PRO A 45 -6.587 -14.350 -2.779 1.00 0.00 C ATOM 661 O PRO A 45 -6.034 -13.283 -2.972 1.00 0.00 O ATOM 662 CB PRO A 45 -8.885 -14.781 -3.616 1.00 0.00 C ATOM 663 CG PRO A 45 -9.797 -13.635 -3.929 1.00 0.00 C ATOM 664 CD PRO A 45 -9.787 -12.679 -2.742 1.00 0.00 C ATOM 0 HA PRO A 45 -8.150 -15.088 -1.543 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.229 -14.991 -4.461 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.460 -15.687 -3.425 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.467 -13.122 -4.832 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.808 -13.995 -4.118 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.753 -11.640 -3.071 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.685 -12.792 -2.135 1.00 0.00 H new ATOM 672 N PRO A 46 -5.954 -15.483 -2.946 1.00 0.00 N ATOM 673 CA PRO A 46 -4.529 -15.557 -3.386 1.00 0.00 C ATOM 674 C PRO A 46 -4.417 -15.459 -4.915 1.00 0.00 C ATOM 675 O PRO A 46 -4.410 -16.476 -5.610 1.00 0.00 O ATOM 676 CB PRO A 46 -4.066 -16.943 -2.900 1.00 0.00 C ATOM 677 CG PRO A 46 -5.255 -17.585 -2.244 1.00 0.00 C ATOM 678 CD PRO A 46 -6.491 -16.820 -2.720 1.00 0.00 C ATOM 0 HA PRO A 46 -3.927 -14.741 -2.987 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.710 -17.547 -3.734 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.238 -16.851 -2.197 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.324 -18.638 -2.516 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.168 -17.541 -1.158 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.911 -17.250 -3.629 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.284 -16.820 -1.972 1.00 0.00 H new ATOM 686 N VAL A 47 -4.347 -14.234 -5.427 1.00 0.00 N ATOM 687 CA VAL A 47 -4.254 -14.009 -6.874 1.00 0.00 C ATOM 688 C VAL A 47 -3.994 -12.523 -7.153 1.00 0.00 C ATOM 689 O VAL A 47 -3.544 -11.801 -6.268 1.00 0.00 O ATOM 690 CB VAL A 47 -5.557 -14.486 -7.553 1.00 0.00 C ATOM 691 CG1 VAL A 47 -6.710 -13.523 -7.245 1.00 0.00 C ATOM 692 CG2 VAL A 47 -5.358 -14.577 -9.072 1.00 0.00 C ATOM 0 H VAL A 47 -4.353 -13.381 -4.867 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.422 -14.580 -7.286 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.806 -15.472 -7.160 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.619 -13.876 -7.732 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.869 -13.479 -6.168 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.462 -12.528 -7.616 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.283 -14.914 -9.541 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.090 -13.596 -9.463 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.560 -15.286 -9.293 1.00 0.00 H new ATOM 702 N ASP A 48 -4.261 -12.064 -8.376 1.00 0.00 N ATOM 703 CA ASP A 48 -4.040 -10.657 -8.711 1.00 0.00 C ATOM 704 C ASP A 48 -5.275 -9.814 -8.385 1.00 0.00 C ATOM 705 O ASP A 48 -5.237 -8.961 -7.501 1.00 0.00 O ATOM 706 CB ASP A 48 -3.691 -10.507 -10.194 1.00 0.00 C ATOM 707 CG ASP A 48 -2.790 -11.655 -10.640 1.00 0.00 C ATOM 708 OD1 ASP A 48 -1.592 -11.556 -10.434 1.00 0.00 O ATOM 709 OD2 ASP A 48 -3.313 -12.617 -11.180 1.00 0.00 O ATOM 0 H ASP A 48 -4.624 -12.634 -9.139 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.205 -10.299 -8.109 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.603 -10.497 -10.791 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.189 -9.554 -10.363 1.00 0.00 H new ATOM 714 N GLY A 49 -6.362 -10.056 -9.121 1.00 0.00 N ATOM 715 CA GLY A 49 -7.611 -9.313 -8.933 1.00 0.00 C ATOM 716 C GLY A 49 -7.976 -9.155 -7.460 1.00 0.00 C ATOM 717 O GLY A 49 -8.635 -8.189 -7.076 1.00 0.00 O ATOM 0 H GLY A 49 -6.403 -10.763 -9.855 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.517 -8.328 -9.389 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.419 -9.829 -9.452 1.00 0.00 H new ATOM 721 N GLN A 50 -7.554 -10.110 -6.644 1.00 0.00 N ATOM 722 CA GLN A 50 -7.847 -10.074 -5.215 1.00 0.00 C ATOM 723 C GLN A 50 -7.232 -8.845 -4.549 1.00 0.00 C ATOM 724 O GLN A 50 -7.938 -7.934 -4.115 1.00 0.00 O ATOM 725 CB GLN A 50 -7.300 -11.340 -4.542 1.00 0.00 C ATOM 726 CG GLN A 50 -5.829 -11.552 -4.929 1.00 0.00 C ATOM 727 CD GLN A 50 -4.871 -11.186 -3.779 1.00 0.00 C ATOM 728 OE1 GLN A 50 -5.317 -11.052 -2.560 1.00 0.00 O flip ATOM 729 NE2 GLN A 50 -3.672 -11.024 -4.003 1.00 0.00 N flip ATOM 0 H GLN A 50 -7.009 -10.918 -6.944 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.929 -10.023 -5.097 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.390 -11.253 -3.459 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.891 -12.205 -4.843 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.675 -12.593 -5.212 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.593 -10.946 -5.804 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.312 -11.126 -4.952 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.038 -10.788 -3.240 1.00 0.00 H new ATOM 738 N ALA A 51 -5.913 -8.852 -4.460 1.00 0.00 N ATOM 739 CA ALA A 51 -5.174 -7.767 -3.827 1.00 0.00 C ATOM 740 C ALA A 51 -5.006 -6.584 -4.778 1.00 0.00 C ATOM 741 O ALA A 51 -5.105 -5.433 -4.365 1.00 0.00 O ATOM 742 CB ALA A 51 -3.799 -8.279 -3.382 1.00 0.00 C ATOM 0 H ALA A 51 -5.325 -9.603 -4.821 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.739 -7.424 -2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.245 -7.469 -2.908 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.927 -9.095 -2.671 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.246 -8.638 -4.250 1.00 0.00 H new ATOM 748 N ASN A 52 -4.744 -6.878 -6.050 1.00 0.00 N ATOM 749 CA ASN A 52 -4.554 -5.830 -7.051 1.00 0.00 C ATOM 750 C ASN A 52 -5.738 -4.861 -7.075 1.00 0.00 C ATOM 751 O ASN A 52 -5.558 -3.649 -6.945 1.00 0.00 O ATOM 752 CB ASN A 52 -4.377 -6.455 -8.440 1.00 0.00 C ATOM 753 CG ASN A 52 -3.624 -5.492 -9.352 1.00 0.00 C ATOM 754 OD1 ASN A 52 -4.143 -4.431 -9.702 1.00 0.00 O ATOM 755 ND2 ASN A 52 -2.425 -5.801 -9.762 1.00 0.00 N ATOM 0 H ASN A 52 -4.659 -7.828 -6.411 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.658 -5.271 -6.782 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.830 -7.394 -8.358 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -5.351 -6.689 -8.869 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.915 -5.164 -10.374 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.997 -6.680 -9.471 1.00 0.00 H new ATOM 762 N SER A 53 -6.944 -5.399 -7.253 1.00 0.00 N ATOM 763 CA SER A 53 -8.143 -4.563 -7.304 1.00 0.00 C ATOM 764 C SER A 53 -8.377 -3.859 -5.968 1.00 0.00 C ATOM 765 O SER A 53 -8.606 -2.651 -5.930 1.00 0.00 O ATOM 766 CB SER A 53 -9.366 -5.413 -7.666 1.00 0.00 C ATOM 767 OG SER A 53 -9.932 -5.970 -6.485 1.00 0.00 O ATOM 0 H SER A 53 -7.116 -6.398 -7.363 1.00 0.00 H new ATOM 0 HA SER A 53 -7.993 -3.804 -8.072 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.106 -4.801 -8.181 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.077 -6.209 -8.352 1.00 0.00 H new ATOM 0 HG SER A 53 -9.640 -6.901 -6.390 1.00 0.00 H new ATOM 773 N HIS A 54 -8.318 -4.621 -4.877 1.00 0.00 N ATOM 774 CA HIS A 54 -8.527 -4.055 -3.546 1.00 0.00 C ATOM 775 C HIS A 54 -7.524 -2.942 -3.272 1.00 0.00 C ATOM 776 O HIS A 54 -7.904 -1.843 -2.897 1.00 0.00 O ATOM 777 CB HIS A 54 -8.364 -5.138 -2.476 1.00 0.00 C ATOM 778 CG HIS A 54 -9.682 -5.809 -2.197 1.00 0.00 C ATOM 779 ND1 HIS A 54 -10.779 -5.678 -3.035 1.00 0.00 N ATOM 780 CD2 HIS A 54 -10.092 -6.624 -1.169 1.00 0.00 C ATOM 781 CE1 HIS A 54 -11.785 -6.396 -2.502 1.00 0.00 C ATOM 782 NE2 HIS A 54 -11.419 -6.993 -1.364 1.00 0.00 N ATOM 0 H HIS A 54 -8.129 -5.623 -4.888 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.538 -3.650 -3.510 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -7.636 -5.878 -2.808 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.974 -4.696 -1.559 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.477 -6.931 -0.336 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -12.768 -6.479 -2.941 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -11.990 -7.591 -0.767 1.00 0.00 H new ATOM 790 N LEU A 55 -6.243 -3.244 -3.453 1.00 0.00 N ATOM 791 CA LEU A 55 -5.189 -2.264 -3.209 1.00 0.00 C ATOM 792 C LEU A 55 -5.500 -0.943 -3.901 1.00 0.00 C ATOM 793 O LEU A 55 -5.596 0.099 -3.249 1.00 0.00 O ATOM 794 CB LEU A 55 -3.856 -2.806 -3.717 1.00 0.00 C ATOM 795 CG LEU A 55 -2.704 -2.109 -2.990 1.00 0.00 C ATOM 796 CD1 LEU A 55 -2.444 -2.805 -1.652 1.00 0.00 C ATOM 797 CD2 LEU A 55 -1.444 -2.179 -3.858 1.00 0.00 C ATOM 0 H LEU A 55 -5.909 -4.156 -3.767 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.130 -2.085 -2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.804 -3.882 -3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.772 -2.643 -4.791 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.965 -1.067 -2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.623 -2.307 -1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.342 -2.757 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.181 -3.848 -1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.620 -1.684 -3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.184 -3.222 -4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.630 -1.681 -4.810 1.00 0.00 H new ATOM 809 N VAL A 56 -5.665 -0.994 -5.220 1.00 0.00 N ATOM 810 CA VAL A 56 -5.975 0.207 -5.988 1.00 0.00 C ATOM 811 C VAL A 56 -7.204 0.898 -5.397 1.00 0.00 C ATOM 812 O VAL A 56 -7.398 2.101 -5.569 1.00 0.00 O ATOM 813 CB VAL A 56 -6.210 -0.162 -7.465 1.00 0.00 C ATOM 814 CG1 VAL A 56 -7.699 -0.064 -7.821 1.00 0.00 C ATOM 815 CG2 VAL A 56 -5.413 0.792 -8.360 1.00 0.00 C ATOM 0 H VAL A 56 -5.590 -1.847 -5.775 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.133 0.898 -5.936 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.880 -1.189 -7.623 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.841 -0.329 -8.869 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.269 -0.749 -7.193 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.047 0.956 -7.654 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.578 0.533 -9.406 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.742 1.816 -8.184 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.351 0.707 -8.128 1.00 0.00 H new ATOM 825 N LYS A 57 -8.020 0.118 -4.691 1.00 0.00 N ATOM 826 CA LYS A 57 -9.232 0.648 -4.065 1.00 0.00 C ATOM 827 C LYS A 57 -8.909 1.248 -2.696 1.00 0.00 C ATOM 828 O LYS A 57 -9.054 2.451 -2.490 1.00 0.00 O ATOM 829 CB LYS A 57 -10.266 -0.475 -3.908 1.00 0.00 C ATOM 830 CG LYS A 57 -11.677 0.107 -4.018 1.00 0.00 C ATOM 831 CD LYS A 57 -12.716 -1.010 -3.866 1.00 0.00 C ATOM 832 CE LYS A 57 -12.992 -1.259 -2.380 1.00 0.00 C ATOM 833 NZ LYS A 57 -13.687 -0.077 -1.798 1.00 0.00 N ATOM 0 H LYS A 57 -7.866 -0.879 -4.538 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.641 1.432 -4.702 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.114 -1.233 -4.676 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.139 -0.968 -2.944 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.829 0.864 -3.248 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.801 0.602 -4.981 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.639 -0.733 -4.376 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.353 -1.924 -4.337 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.606 -2.151 -2.258 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.056 -1.441 -1.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.278 -0.381 -0.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.982 0.611 -1.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.287 0.365 -2.524 1.00 0.00 H new ATOM 847 N PHE A 58 -8.475 0.393 -1.773 1.00 0.00 N ATOM 848 CA PHE A 58 -8.128 0.816 -0.419 1.00 0.00 C ATOM 849 C PHE A 58 -7.271 2.079 -0.433 1.00 0.00 C ATOM 850 O PHE A 58 -7.652 3.104 0.136 1.00 0.00 O ATOM 851 CB PHE A 58 -7.363 -0.314 0.282 1.00 0.00 C ATOM 852 CG PHE A 58 -7.642 -0.292 1.768 1.00 0.00 C ATOM 853 CD1 PHE A 58 -8.887 -0.712 2.253 1.00 0.00 C ATOM 854 CD2 PHE A 58 -6.650 0.136 2.660 1.00 0.00 C ATOM 855 CE1 PHE A 58 -9.140 -0.703 3.629 1.00 0.00 C ATOM 856 CE2 PHE A 58 -6.905 0.143 4.037 1.00 0.00 C ATOM 857 CZ PHE A 58 -8.150 -0.275 4.521 1.00 0.00 C ATOM 0 H PHE A 58 -8.355 -0.606 -1.941 1.00 0.00 H new ATOM 0 HA PHE A 58 -9.050 1.039 0.118 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -7.658 -1.276 -0.136 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.293 -0.203 0.104 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -9.651 -1.043 1.565 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.690 0.460 2.286 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -10.100 -1.027 4.003 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.141 0.471 4.726 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.347 -0.267 5.583 1.00 0.00 H new ATOM 867 N LEU A 59 -6.110 1.995 -1.076 1.00 0.00 N ATOM 868 CA LEU A 59 -5.206 3.136 -1.143 1.00 0.00 C ATOM 869 C LEU A 59 -5.769 4.225 -2.049 1.00 0.00 C ATOM 870 O LEU A 59 -5.794 5.394 -1.672 1.00 0.00 O ATOM 871 CB LEU A 59 -3.831 2.695 -1.652 1.00 0.00 C ATOM 872 CG LEU A 59 -2.745 3.550 -0.991 1.00 0.00 C ATOM 873 CD1 LEU A 59 -2.618 3.171 0.488 1.00 0.00 C ATOM 874 CD2 LEU A 59 -1.407 3.311 -1.695 1.00 0.00 C ATOM 0 H LEU A 59 -5.776 1.157 -1.553 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.101 3.543 -0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.668 1.641 -1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.782 2.799 -2.736 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.017 4.602 -1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.845 3.781 0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.569 3.344 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.349 2.118 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.635 3.919 -1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.137 2.258 -1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.495 3.585 -2.746 1.00 0.00 H new ATOM 886 N GLY A 60 -6.223 3.841 -3.241 1.00 0.00 N ATOM 887 CA GLY A 60 -6.782 4.812 -4.179 1.00 0.00 C ATOM 888 C GLY A 60 -7.815 5.703 -3.493 1.00 0.00 C ATOM 889 O GLY A 60 -7.995 6.861 -3.867 1.00 0.00 O ATOM 0 H GLY A 60 -6.215 2.878 -3.577 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.982 5.427 -4.591 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.245 4.290 -5.016 1.00 0.00 H new ATOM 893 N LYS A 61 -8.488 5.149 -2.485 1.00 0.00 N ATOM 894 CA LYS A 61 -9.502 5.895 -1.748 1.00 0.00 C ATOM 895 C LYS A 61 -8.867 6.797 -0.695 1.00 0.00 C ATOM 896 O LYS A 61 -9.006 8.020 -0.746 1.00 0.00 O ATOM 897 CB LYS A 61 -10.466 4.921 -1.061 1.00 0.00 C ATOM 898 CG LYS A 61 -11.829 4.971 -1.752 1.00 0.00 C ATOM 899 CD LYS A 61 -11.728 4.341 -3.146 1.00 0.00 C ATOM 900 CE LYS A 61 -13.044 4.546 -3.902 1.00 0.00 C ATOM 901 NZ LYS A 61 -14.088 3.636 -3.346 1.00 0.00 N ATOM 0 H LYS A 61 -8.349 4.191 -2.163 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.044 6.518 -2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.064 3.908 -1.100 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.572 5.181 -0.008 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.569 4.438 -1.155 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.168 6.004 -1.833 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.905 4.792 -3.701 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.509 3.277 -3.060 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.367 5.583 -3.815 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.900 4.345 -4.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -14.956 3.715 -3.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -13.744 2.655 -3.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.293 3.903 -2.362 1.00 0.00 H new ATOM 915 N GLN A 62 -8.196 6.180 0.271 1.00 0.00 N ATOM 916 CA GLN A 62 -7.567 6.923 1.358 1.00 0.00 C ATOM 917 C GLN A 62 -6.548 7.933 0.835 1.00 0.00 C ATOM 918 O GLN A 62 -6.416 9.025 1.382 1.00 0.00 O ATOM 919 CB GLN A 62 -6.870 5.957 2.321 1.00 0.00 C ATOM 920 CG GLN A 62 -7.911 5.086 3.030 1.00 0.00 C ATOM 921 CD GLN A 62 -8.604 5.886 4.127 1.00 0.00 C ATOM 922 OE1 GLN A 62 -9.689 6.426 3.912 1.00 0.00 O ATOM 923 NE2 GLN A 62 -8.036 5.996 5.298 1.00 0.00 N ATOM 0 H GLN A 62 -8.073 5.169 0.324 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.354 7.468 1.880 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.168 5.327 1.774 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.291 6.517 3.055 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.647 4.727 2.311 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.430 4.207 3.459 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.137 5.547 5.473 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.492 6.531 6.038 1.00 0.00 H new ATOM 932 N PHE A 63 -5.826 7.571 -0.218 1.00 0.00 N ATOM 933 CA PHE A 63 -4.832 8.471 -0.783 1.00 0.00 C ATOM 934 C PHE A 63 -5.492 9.392 -1.803 1.00 0.00 C ATOM 935 O PHE A 63 -4.967 10.458 -2.129 1.00 0.00 O ATOM 936 CB PHE A 63 -3.699 7.669 -1.429 1.00 0.00 C ATOM 937 CG PHE A 63 -2.479 7.710 -0.538 1.00 0.00 C ATOM 938 CD1 PHE A 63 -2.341 6.786 0.505 1.00 0.00 C ATOM 939 CD2 PHE A 63 -1.487 8.676 -0.753 1.00 0.00 C ATOM 940 CE1 PHE A 63 -1.212 6.825 1.330 1.00 0.00 C ATOM 941 CE2 PHE A 63 -0.358 8.714 0.072 1.00 0.00 C ATOM 942 CZ PHE A 63 -0.220 7.789 1.115 1.00 0.00 C ATOM 0 H PHE A 63 -5.909 6.672 -0.692 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.406 9.081 0.013 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.013 6.637 -1.586 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.460 8.082 -2.409 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -3.107 6.043 0.673 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.594 9.391 -1.555 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -1.106 6.111 2.133 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.408 9.457 -0.095 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.651 7.820 1.753 1.00 0.00 H new ATOM 952 N ARG A 64 -6.667 8.976 -2.271 1.00 0.00 N ATOM 953 CA ARG A 64 -7.444 9.759 -3.227 1.00 0.00 C ATOM 954 C ARG A 64 -6.660 10.078 -4.503 1.00 0.00 C ATOM 955 O ARG A 64 -7.108 10.889 -5.313 1.00 0.00 O ATOM 956 CB ARG A 64 -7.896 11.062 -2.564 1.00 0.00 C ATOM 957 CG ARG A 64 -9.399 10.998 -2.264 1.00 0.00 C ATOM 958 CD ARG A 64 -9.882 12.327 -1.666 1.00 0.00 C ATOM 959 NE ARG A 64 -8.760 13.091 -1.118 1.00 0.00 N ATOM 960 CZ ARG A 64 -8.765 14.423 -1.102 1.00 0.00 C ATOM 961 NH1 ARG A 64 -9.577 15.089 -1.879 1.00 0.00 N ATOM 962 NH2 ARG A 64 -7.957 15.065 -0.306 1.00 0.00 N ATOM 0 H ARG A 64 -7.103 8.095 -2.001 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.305 9.158 -3.520 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.338 11.224 -1.642 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.682 11.907 -3.218 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.950 10.782 -3.179 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.603 10.183 -1.569 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.387 12.914 -2.434 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.613 12.133 -0.881 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.955 12.592 -0.739 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.211 14.589 -2.502 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.577 16.109 -1.863 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.323 14.548 0.303 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.959 16.085 -0.292 1.00 0.00 H new ATOM 976 N VAL A 65 -5.503 9.443 -4.694 1.00 0.00 N ATOM 977 CA VAL A 65 -4.713 9.699 -5.905 1.00 0.00 C ATOM 978 C VAL A 65 -5.436 9.131 -7.127 1.00 0.00 C ATOM 979 O VAL A 65 -6.661 9.214 -7.231 1.00 0.00 O ATOM 980 CB VAL A 65 -3.300 9.090 -5.811 1.00 0.00 C ATOM 981 CG1 VAL A 65 -2.355 9.827 -6.772 1.00 0.00 C ATOM 982 CG2 VAL A 65 -2.748 9.228 -4.388 1.00 0.00 C ATOM 0 H VAL A 65 -5.098 8.766 -4.048 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.605 10.779 -6.004 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.364 8.035 -6.076 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.357 9.395 -6.704 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.724 9.728 -7.793 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.312 10.882 -6.502 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.750 8.792 -4.341 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.697 10.283 -4.118 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.404 8.707 -3.691 1.00 0.00 H new ATOM 992 N ALA A 66 -4.669 8.564 -8.050 1.00 0.00 N ATOM 993 CA ALA A 66 -5.233 7.995 -9.266 1.00 0.00 C ATOM 994 C ALA A 66 -4.804 6.543 -9.437 1.00 0.00 C ATOM 995 O ALA A 66 -3.769 6.128 -8.916 1.00 0.00 O ATOM 996 CB ALA A 66 -4.764 8.807 -10.470 1.00 0.00 C ATOM 0 H ALA A 66 -3.654 8.486 -7.979 1.00 0.00 H new ATOM 0 HA ALA A 66 -6.320 8.029 -9.192 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.185 8.383 -11.381 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.096 9.840 -10.364 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.676 8.779 -10.526 1.00 0.00 H new ATOM 1002 N LYS A 67 -5.597 5.782 -10.190 1.00 0.00 N ATOM 1003 CA LYS A 67 -5.278 4.382 -10.448 1.00 0.00 C ATOM 1004 C LYS A 67 -4.057 4.307 -11.355 1.00 0.00 C ATOM 1005 O LYS A 67 -3.307 3.330 -11.341 1.00 0.00 O ATOM 1006 CB LYS A 67 -6.469 3.683 -11.113 1.00 0.00 C ATOM 1007 CG LYS A 67 -6.813 4.384 -12.433 1.00 0.00 C ATOM 1008 CD LYS A 67 -8.088 3.777 -13.021 1.00 0.00 C ATOM 1009 CE LYS A 67 -8.406 4.449 -14.359 1.00 0.00 C ATOM 1010 NZ LYS A 67 -9.833 4.208 -14.712 1.00 0.00 N ATOM 0 H LYS A 67 -6.458 6.109 -10.628 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.063 3.879 -9.505 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.230 2.636 -11.298 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.331 3.700 -10.446 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.951 5.452 -12.264 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.989 4.277 -13.138 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.960 2.704 -13.163 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.919 3.910 -12.329 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.213 5.520 -14.295 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.756 4.054 -15.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.048 4.665 -15.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.003 3.185 -14.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.446 4.605 -13.972 1.00 0.00 H new ATOM 1024 N SER A 68 -3.874 5.366 -12.140 1.00 0.00 N ATOM 1025 CA SER A 68 -2.753 5.461 -13.062 1.00 0.00 C ATOM 1026 C SER A 68 -1.526 6.029 -12.350 1.00 0.00 C ATOM 1027 O SER A 68 -0.403 5.917 -12.845 1.00 0.00 O ATOM 1028 CB SER A 68 -3.145 6.365 -14.236 1.00 0.00 C ATOM 1029 OG SER A 68 -2.085 7.267 -14.530 1.00 0.00 O ATOM 0 H SER A 68 -4.495 6.175 -12.153 1.00 0.00 H new ATOM 0 HA SER A 68 -2.505 4.466 -13.433 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.371 5.759 -15.113 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.050 6.921 -13.991 1.00 0.00 H new ATOM 0 HG SER A 68 -2.342 7.840 -15.282 1.00 0.00 H new ATOM 1035 N GLN A 69 -1.752 6.639 -11.187 1.00 0.00 N ATOM 1036 CA GLN A 69 -0.662 7.225 -10.415 1.00 0.00 C ATOM 1037 C GLN A 69 -0.196 6.261 -9.329 1.00 0.00 C ATOM 1038 O GLN A 69 0.927 6.367 -8.839 1.00 0.00 O ATOM 1039 CB GLN A 69 -1.125 8.537 -9.775 1.00 0.00 C ATOM 1040 CG GLN A 69 -1.428 9.567 -10.868 1.00 0.00 C ATOM 1041 CD GLN A 69 -0.132 10.193 -11.375 1.00 0.00 C ATOM 1042 OE1 GLN A 69 0.342 11.181 -10.815 1.00 0.00 O ATOM 1043 NE2 GLN A 69 0.471 9.673 -12.408 1.00 0.00 N ATOM 0 H GLN A 69 -2.674 6.739 -10.763 1.00 0.00 H new ATOM 0 HA GLN A 69 0.172 7.424 -11.088 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.014 8.363 -9.169 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.353 8.919 -9.106 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.956 9.088 -11.693 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.086 10.342 -10.475 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.076 8.854 -12.870 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.338 10.085 -12.754 1.00 0.00 H new ATOM 1052 N VAL A 70 -1.061 5.310 -8.976 1.00 0.00 N ATOM 1053 CA VAL A 70 -0.734 4.311 -7.965 1.00 0.00 C ATOM 1054 C VAL A 70 -0.361 3.001 -8.656 1.00 0.00 C ATOM 1055 O VAL A 70 -1.228 2.236 -9.079 1.00 0.00 O ATOM 1056 CB VAL A 70 -1.923 4.107 -7.013 1.00 0.00 C ATOM 1057 CG1 VAL A 70 -3.126 3.539 -7.773 1.00 0.00 C ATOM 1058 CG2 VAL A 70 -1.521 3.143 -5.893 1.00 0.00 C ATOM 0 H VAL A 70 -1.994 5.213 -9.377 1.00 0.00 H new ATOM 0 HA VAL A 70 0.114 4.655 -7.373 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.202 5.070 -6.586 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.959 3.401 -7.084 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.418 4.232 -8.562 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.857 2.579 -8.215 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.364 2.998 -5.218 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.233 2.184 -6.324 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.680 3.559 -5.339 1.00 0.00 H new ATOM 1068 N VAL A 71 0.938 2.772 -8.798 1.00 0.00 N ATOM 1069 CA VAL A 71 1.420 1.570 -9.477 1.00 0.00 C ATOM 1070 C VAL A 71 2.189 0.650 -8.532 1.00 0.00 C ATOM 1071 O VAL A 71 3.097 1.083 -7.820 1.00 0.00 O ATOM 1072 CB VAL A 71 2.334 1.967 -10.642 1.00 0.00 C ATOM 1073 CG1 VAL A 71 2.453 0.797 -11.622 1.00 0.00 C ATOM 1074 CG2 VAL A 71 1.747 3.182 -11.370 1.00 0.00 C ATOM 0 H VAL A 71 1.672 3.393 -8.457 1.00 0.00 H new ATOM 0 HA VAL A 71 0.548 1.028 -9.843 1.00 0.00 H new ATOM 0 HB VAL A 71 3.321 2.220 -10.253 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.103 1.080 -12.450 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.875 -0.066 -11.108 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.465 0.543 -12.007 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.400 3.461 -12.197 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.759 2.932 -11.756 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.665 4.018 -10.675 1.00 0.00 H new ATOM 1084 N ILE A 72 1.832 -0.632 -8.562 1.00 0.00 N ATOM 1085 CA ILE A 72 2.497 -1.638 -7.743 1.00 0.00 C ATOM 1086 C ILE A 72 3.766 -2.093 -8.452 1.00 0.00 C ATOM 1087 O ILE A 72 3.743 -3.017 -9.268 1.00 0.00 O ATOM 1088 CB ILE A 72 1.562 -2.829 -7.509 1.00 0.00 C ATOM 1089 CG1 ILE A 72 0.261 -2.329 -6.868 1.00 0.00 C ATOM 1090 CG2 ILE A 72 2.237 -3.842 -6.576 1.00 0.00 C ATOM 1091 CD1 ILE A 72 -0.787 -3.445 -6.884 1.00 0.00 C ATOM 0 H ILE A 72 1.082 -0.998 -9.148 1.00 0.00 H new ATOM 0 HA ILE A 72 2.755 -1.210 -6.774 1.00 0.00 H new ATOM 0 HB ILE A 72 1.341 -3.312 -8.461 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.449 -2.009 -5.843 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.112 -1.460 -7.410 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.569 -4.687 -6.412 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.163 -4.194 -7.030 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.460 -3.365 -5.621 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.709 -3.085 -6.428 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.984 -3.744 -7.913 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.415 -4.302 -6.322 1.00 0.00 H new ATOM 1103 N GLU A 73 4.865 -1.417 -8.148 1.00 0.00 N ATOM 1104 CA GLU A 73 6.151 -1.723 -8.764 1.00 0.00 C ATOM 1105 C GLU A 73 6.563 -3.178 -8.520 1.00 0.00 C ATOM 1106 O GLU A 73 7.551 -3.641 -9.088 1.00 0.00 O ATOM 1107 CB GLU A 73 7.221 -0.773 -8.214 1.00 0.00 C ATOM 1108 CG GLU A 73 7.396 0.409 -9.172 1.00 0.00 C ATOM 1109 CD GLU A 73 8.303 1.465 -8.544 1.00 0.00 C ATOM 1110 OE1 GLU A 73 7.963 1.952 -7.477 1.00 0.00 O ATOM 1111 OE2 GLU A 73 9.323 1.773 -9.138 1.00 0.00 O ATOM 0 H GLU A 73 4.893 -0.650 -7.476 1.00 0.00 H new ATOM 0 HA GLU A 73 6.053 -1.585 -9.841 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.931 -0.414 -7.226 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.167 -1.302 -8.096 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.824 0.064 -10.113 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.425 0.845 -9.405 1.00 0.00 H new ATOM 1118 N LYS A 74 5.794 -3.890 -7.687 1.00 0.00 N ATOM 1119 CA LYS A 74 6.074 -5.292 -7.378 1.00 0.00 C ATOM 1120 C LYS A 74 5.336 -5.698 -6.109 1.00 0.00 C ATOM 1121 O LYS A 74 5.459 -5.043 -5.075 1.00 0.00 O ATOM 1122 CB LYS A 74 7.581 -5.527 -7.190 1.00 0.00 C ATOM 1123 CG LYS A 74 8.136 -6.287 -8.402 1.00 0.00 C ATOM 1124 CD LYS A 74 9.643 -6.037 -8.527 1.00 0.00 C ATOM 1125 CE LYS A 74 10.398 -6.891 -7.505 1.00 0.00 C ATOM 1126 NZ LYS A 74 10.095 -8.333 -7.739 1.00 0.00 N ATOM 0 H LYS A 74 4.971 -3.514 -7.215 1.00 0.00 H new ATOM 0 HA LYS A 74 5.731 -5.899 -8.216 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.097 -4.574 -7.078 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.760 -6.096 -6.278 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.943 -7.354 -8.293 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.628 -5.962 -9.310 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.978 -6.279 -9.535 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.860 -4.981 -8.364 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.470 -6.716 -7.590 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.108 -6.607 -6.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.898 -8.913 -7.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.242 -8.599 -7.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.933 -8.494 -8.754 1.00 0.00 H new ATOM 1140 N GLY A 75 4.564 -6.774 -6.198 1.00 0.00 N ATOM 1141 CA GLY A 75 3.802 -7.258 -5.053 1.00 0.00 C ATOM 1142 C GLY A 75 2.364 -7.558 -5.447 1.00 0.00 C ATOM 1143 O GLY A 75 1.570 -8.026 -4.629 1.00 0.00 O ATOM 0 H GLY A 75 4.449 -7.326 -7.048 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.270 -8.158 -4.654 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.818 -6.512 -4.259 1.00 0.00 H new ATOM 1147 N GLU A 76 2.038 -7.276 -6.708 1.00 0.00 N ATOM 1148 CA GLU A 76 0.688 -7.506 -7.225 1.00 0.00 C ATOM 1149 C GLU A 76 0.097 -8.828 -6.721 1.00 0.00 C ATOM 1150 O GLU A 76 -1.119 -8.948 -6.571 1.00 0.00 O ATOM 1151 CB GLU A 76 0.713 -7.509 -8.760 1.00 0.00 C ATOM 1152 CG GLU A 76 1.403 -8.780 -9.271 1.00 0.00 C ATOM 1153 CD GLU A 76 1.488 -8.750 -10.795 1.00 0.00 C ATOM 1154 OE1 GLU A 76 0.463 -8.935 -11.430 1.00 0.00 O ATOM 1155 OE2 GLU A 76 2.578 -8.545 -11.305 1.00 0.00 O ATOM 0 H GLU A 76 2.689 -6.888 -7.391 1.00 0.00 H new ATOM 0 HA GLU A 76 0.055 -6.697 -6.861 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.304 -7.456 -9.149 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.240 -6.627 -9.125 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.403 -8.858 -8.844 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.848 -9.661 -8.947 1.00 0.00 H new ATOM 1162 N LEU A 77 0.957 -9.821 -6.474 1.00 0.00 N ATOM 1163 CA LEU A 77 0.488 -11.126 -6.002 1.00 0.00 C ATOM 1164 C LEU A 77 1.241 -11.577 -4.745 1.00 0.00 C ATOM 1165 O LEU A 77 0.651 -12.182 -3.849 1.00 0.00 O ATOM 1166 CB LEU A 77 0.669 -12.170 -7.112 1.00 0.00 C ATOM 1167 CG LEU A 77 0.106 -13.523 -6.655 1.00 0.00 C ATOM 1168 CD1 LEU A 77 -0.685 -14.165 -7.798 1.00 0.00 C ATOM 1169 CD2 LEU A 77 1.258 -14.451 -6.255 1.00 0.00 C ATOM 0 H LEU A 77 1.968 -9.748 -6.591 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.567 -11.031 -5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.160 -11.842 -8.018 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.726 -12.271 -7.359 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.551 -13.366 -5.800 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.083 -15.125 -7.470 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.508 -13.510 -8.084 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.028 -14.318 -8.654 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.856 -15.411 -5.931 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.916 -14.603 -7.110 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.822 -14.000 -5.439 1.00 0.00 H new ATOM 1181 N GLY A 78 2.540 -11.293 -4.692 1.00 0.00 N ATOM 1182 CA GLY A 78 3.360 -11.691 -3.544 1.00 0.00 C ATOM 1183 C GLY A 78 3.027 -10.872 -2.299 1.00 0.00 C ATOM 1184 O GLY A 78 2.492 -9.766 -2.396 1.00 0.00 O ATOM 0 H GLY A 78 3.047 -10.793 -5.422 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.204 -12.749 -3.335 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.415 -11.566 -3.790 1.00 0.00 H new ATOM 1188 N ARG A 79 3.362 -11.422 -1.127 1.00 0.00 N ATOM 1189 CA ARG A 79 3.110 -10.730 0.138 1.00 0.00 C ATOM 1190 C ARG A 79 3.882 -9.422 0.166 1.00 0.00 C ATOM 1191 O ARG A 79 3.448 -8.448 0.781 1.00 0.00 O ATOM 1192 CB ARG A 79 3.540 -11.601 1.321 1.00 0.00 C ATOM 1193 CG ARG A 79 2.719 -12.896 1.342 1.00 0.00 C ATOM 1194 CD ARG A 79 3.595 -14.050 1.841 1.00 0.00 C ATOM 1195 NE ARG A 79 4.281 -14.687 0.723 1.00 0.00 N ATOM 1196 CZ ARG A 79 5.438 -15.316 0.894 1.00 0.00 C ATOM 1197 NH1 ARG A 79 6.462 -14.678 1.392 1.00 0.00 N ATOM 1198 NH2 ARG A 79 5.552 -16.574 0.566 1.00 0.00 N ATOM 0 H ARG A 79 3.804 -12.336 -1.030 1.00 0.00 H new ATOM 0 HA ARG A 79 2.042 -10.529 0.219 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.602 -11.835 1.245 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.400 -11.056 2.255 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.851 -12.778 1.990 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.343 -13.117 0.343 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.325 -13.677 2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.980 -14.782 2.364 1.00 0.00 H new ATOM 0 HE ARG A 79 3.865 -14.649 -0.207 1.00 0.00 H new ATOM 0 HH11 ARG A 79 6.374 -13.695 1.650 1.00 0.00 H new ATOM 0 HH12 ARG A 79 7.350 -15.162 1.523 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.752 -17.074 0.178 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.441 -17.057 0.697 1.00 0.00 H new ATOM 1212 N HIS A 80 5.015 -9.397 -0.531 1.00 0.00 N ATOM 1213 CA HIS A 80 5.814 -8.184 -0.600 1.00 0.00 C ATOM 1214 C HIS A 80 5.045 -7.162 -1.418 1.00 0.00 C ATOM 1215 O HIS A 80 4.299 -7.530 -2.325 1.00 0.00 O ATOM 1216 CB HIS A 80 7.176 -8.466 -1.245 1.00 0.00 C ATOM 1217 CG HIS A 80 6.994 -9.257 -2.513 1.00 0.00 C ATOM 1218 ND1 HIS A 80 7.094 -10.639 -2.542 1.00 0.00 N ATOM 1219 CD2 HIS A 80 6.727 -8.874 -3.805 1.00 0.00 C ATOM 1220 CE1 HIS A 80 6.893 -11.034 -3.811 1.00 0.00 C ATOM 1221 NE2 HIS A 80 6.663 -9.998 -4.622 1.00 0.00 N ATOM 0 H HIS A 80 5.393 -10.191 -1.047 1.00 0.00 H new ATOM 0 HA HIS A 80 5.999 -7.804 0.405 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.685 -7.527 -1.463 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.809 -9.018 -0.550 1.00 0.00 H new ATOM 0 HD2 HIS A 80 6.588 -7.855 -4.136 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.915 -12.064 -4.135 1.00 0.00 H new ATOM 0 HE2 HIS A 80 6.480 -10.025 -5.625 1.00 0.00 H new ATOM 1229 N LYS A 81 5.190 -5.889 -1.086 1.00 0.00 N ATOM 1230 CA LYS A 81 4.460 -4.857 -1.797 1.00 0.00 C ATOM 1231 C LYS A 81 5.343 -3.646 -2.031 1.00 0.00 C ATOM 1232 O LYS A 81 6.145 -3.281 -1.177 1.00 0.00 O ATOM 1233 CB LYS A 81 3.230 -4.472 -0.972 1.00 0.00 C ATOM 1234 CG LYS A 81 2.236 -3.685 -1.825 1.00 0.00 C ATOM 1235 CD LYS A 81 0.816 -3.968 -1.322 1.00 0.00 C ATOM 1236 CE LYS A 81 0.267 -5.226 -2.005 1.00 0.00 C ATOM 1237 NZ LYS A 81 0.090 -4.970 -3.462 1.00 0.00 N ATOM 0 H LYS A 81 5.798 -5.551 -0.340 1.00 0.00 H new ATOM 0 HA LYS A 81 4.147 -5.234 -2.771 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.751 -5.370 -0.582 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.534 -3.874 -0.113 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.451 -2.618 -1.766 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.329 -3.972 -2.873 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.823 -4.103 -0.240 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.169 -3.116 -1.532 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.950 -6.061 -1.853 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.686 -5.508 -1.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -0.917 -5.050 -3.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.428 -4.013 -3.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.636 -5.668 -4.006 1.00 0.00 H new ATOM 1251 N GLN A 82 5.185 -3.032 -3.199 1.00 0.00 N ATOM 1252 CA GLN A 82 5.963 -1.853 -3.550 1.00 0.00 C ATOM 1253 C GLN A 82 5.085 -0.914 -4.362 1.00 0.00 C ATOM 1254 O GLN A 82 5.148 -0.891 -5.592 1.00 0.00 O ATOM 1255 CB GLN A 82 7.215 -2.229 -4.365 1.00 0.00 C ATOM 1256 CG GLN A 82 7.787 -3.579 -3.908 1.00 0.00 C ATOM 1257 CD GLN A 82 8.750 -3.383 -2.738 1.00 0.00 C ATOM 1258 OE1 GLN A 82 8.623 -4.046 -1.709 1.00 0.00 O ATOM 1259 NE2 GLN A 82 9.716 -2.510 -2.838 1.00 0.00 N ATOM 0 H GLN A 82 4.525 -3.332 -3.917 1.00 0.00 H new ATOM 0 HA GLN A 82 6.297 -1.366 -2.634 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.962 -2.277 -5.424 1.00 0.00 H new ATOM 0 HB3 GLN A 82 7.972 -1.453 -4.253 1.00 0.00 H new ATOM 0 HG2 GLN A 82 6.975 -4.243 -3.611 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.306 -4.060 -4.737 1.00 0.00 H new ATOM 0 HE21 GLN A 82 9.821 -1.961 -3.691 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.366 -2.377 -2.063 1.00 0.00 H new ATOM 1268 N ILE A 83 4.251 -0.152 -3.666 1.00 0.00 N ATOM 1269 CA ILE A 83 3.348 0.772 -4.333 1.00 0.00 C ATOM 1270 C ILE A 83 4.077 2.059 -4.683 1.00 0.00 C ATOM 1271 O ILE A 83 5.081 2.402 -4.065 1.00 0.00 O ATOM 1272 CB ILE A 83 2.158 1.082 -3.418 1.00 0.00 C ATOM 1273 CG1 ILE A 83 1.335 -0.194 -3.203 1.00 0.00 C ATOM 1274 CG2 ILE A 83 1.273 2.155 -4.058 1.00 0.00 C ATOM 1275 CD1 ILE A 83 0.394 -0.005 -2.010 1.00 0.00 C ATOM 0 H ILE A 83 4.182 -0.156 -2.648 1.00 0.00 H new ATOM 0 HA ILE A 83 2.987 0.311 -5.252 1.00 0.00 H new ATOM 0 HB ILE A 83 2.528 1.447 -2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.760 -0.423 -4.100 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.998 -1.041 -3.025 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.430 2.370 -3.402 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.855 3.064 -4.210 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.903 1.796 -5.019 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.190 -0.913 -1.859 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.979 0.203 -1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.279 0.830 -2.206 1.00 0.00 H new ATOM 1287 N LYS A 84 3.562 2.759 -5.685 1.00 0.00 N ATOM 1288 CA LYS A 84 4.165 4.007 -6.129 1.00 0.00 C ATOM 1289 C LYS A 84 3.077 5.051 -6.370 1.00 0.00 C ATOM 1290 O LYS A 84 2.355 4.984 -7.362 1.00 0.00 O ATOM 1291 CB LYS A 84 4.966 3.750 -7.414 1.00 0.00 C ATOM 1292 CG LYS A 84 5.348 5.071 -8.090 1.00 0.00 C ATOM 1293 CD LYS A 84 6.235 5.905 -7.156 1.00 0.00 C ATOM 1294 CE LYS A 84 5.476 7.152 -6.689 1.00 0.00 C ATOM 1295 NZ LYS A 84 6.421 8.297 -6.559 1.00 0.00 N ATOM 0 H LYS A 84 2.729 2.484 -6.205 1.00 0.00 H new ATOM 0 HA LYS A 84 4.839 4.387 -5.361 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.867 3.183 -7.179 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.376 3.142 -8.100 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.875 4.872 -9.023 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.448 5.631 -8.346 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.534 5.307 -6.295 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.149 6.198 -7.674 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.688 7.398 -7.401 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.992 6.957 -5.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.954 9.170 -6.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.707 8.400 -5.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.262 8.121 -7.144 1.00 0.00 H new ATOM 1309 N ILE A 85 2.964 6.006 -5.445 1.00 0.00 N ATOM 1310 CA ILE A 85 1.957 7.059 -5.552 1.00 0.00 C ATOM 1311 C ILE A 85 2.556 8.321 -6.165 1.00 0.00 C ATOM 1312 O ILE A 85 3.261 9.076 -5.495 1.00 0.00 O ATOM 1313 CB ILE A 85 1.389 7.388 -4.162 1.00 0.00 C ATOM 1314 CG1 ILE A 85 0.488 6.239 -3.692 1.00 0.00 C ATOM 1315 CG2 ILE A 85 0.566 8.679 -4.228 1.00 0.00 C ATOM 1316 CD1 ILE A 85 1.278 5.317 -2.759 1.00 0.00 C ATOM 0 H ILE A 85 3.556 6.071 -4.617 1.00 0.00 H new ATOM 0 HA ILE A 85 1.157 6.699 -6.199 1.00 0.00 H new ATOM 0 HB ILE A 85 2.214 7.520 -3.462 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.385 6.636 -3.174 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.121 5.677 -4.550 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.166 8.907 -3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.202 9.499 -4.560 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.257 8.550 -4.931 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.637 4.501 -2.426 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.137 4.909 -3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.623 5.884 -1.894 1.00 0.00 H new ATOM 1328 N ILE A 86 2.259 8.546 -7.441 1.00 0.00 N ATOM 1329 CA ILE A 86 2.759 9.726 -8.139 1.00 0.00 C ATOM 1330 C ILE A 86 1.825 10.907 -7.896 1.00 0.00 C ATOM 1331 O ILE A 86 0.606 10.768 -7.999 1.00 0.00 O ATOM 1332 CB ILE A 86 2.851 9.447 -9.643 1.00 0.00 C ATOM 1333 CG1 ILE A 86 3.686 8.183 -9.881 1.00 0.00 C ATOM 1334 CG2 ILE A 86 3.513 10.636 -10.345 1.00 0.00 C ATOM 1335 CD1 ILE A 86 3.509 7.714 -11.327 1.00 0.00 C ATOM 0 H ILE A 86 1.678 7.931 -8.010 1.00 0.00 H new ATOM 0 HA ILE A 86 3.752 9.966 -7.758 1.00 0.00 H new ATOM 0 HB ILE A 86 1.849 9.300 -10.045 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.738 8.387 -9.681 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.377 7.396 -9.193 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.578 10.437 -11.415 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.918 11.534 -10.179 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.515 10.785 -9.942 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.103 6.816 -11.493 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.458 7.493 -11.512 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.840 8.499 -12.007 1.00 0.00 H new ATOM 1347 N ASN A 87 2.400 12.064 -7.565 1.00 0.00 N ATOM 1348 CA ASN A 87 1.601 13.260 -7.301 1.00 0.00 C ATOM 1349 C ASN A 87 0.516 12.948 -6.268 1.00 0.00 C ATOM 1350 O ASN A 87 -0.631 12.667 -6.620 1.00 0.00 O ATOM 1351 CB ASN A 87 0.959 13.762 -8.600 1.00 0.00 C ATOM 1352 CG ASN A 87 0.328 15.134 -8.379 1.00 0.00 C ATOM 1353 OD1 ASN A 87 1.009 16.074 -7.965 1.00 0.00 O ATOM 1354 ND2 ASN A 87 -0.940 15.307 -8.633 1.00 0.00 N ATOM 0 H ASN A 87 3.407 12.198 -7.474 1.00 0.00 H new ATOM 0 HA ASN A 87 2.253 14.039 -6.906 1.00 0.00 H new ATOM 0 HB2 ASN A 87 1.711 13.822 -9.387 1.00 0.00 H new ATOM 0 HB3 ASN A 87 0.201 13.055 -8.937 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -1.369 16.221 -8.489 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.502 14.528 -8.976 1.00 0.00 H new ATOM 1361 N PRO A 88 0.866 12.978 -5.007 1.00 0.00 N ATOM 1362 CA PRO A 88 -0.086 12.678 -3.903 1.00 0.00 C ATOM 1363 C PRO A 88 -1.146 13.763 -3.735 1.00 0.00 C ATOM 1364 O PRO A 88 -0.872 14.950 -3.926 1.00 0.00 O ATOM 1365 CB PRO A 88 0.787 12.570 -2.645 1.00 0.00 C ATOM 1366 CG PRO A 88 2.207 12.806 -3.063 1.00 0.00 C ATOM 1367 CD PRO A 88 2.202 13.309 -4.506 1.00 0.00 C ATOM 0 HA PRO A 88 -0.644 11.764 -4.107 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.479 13.304 -1.900 1.00 0.00 H new ATOM 0 HB3 PRO A 88 0.680 11.587 -2.187 1.00 0.00 H new ATOM 0 HG2 PRO A 88 2.680 13.537 -2.407 1.00 0.00 H new ATOM 0 HG3 PRO A 88 2.785 11.885 -2.983 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.388 14.382 -4.553 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.979 12.824 -5.098 1.00 0.00 H new ATOM 1375 N GLN A 89 -2.354 13.340 -3.375 1.00 0.00 N ATOM 1376 CA GLN A 89 -3.467 14.263 -3.173 1.00 0.00 C ATOM 1377 C GLN A 89 -3.947 14.198 -1.725 1.00 0.00 C ATOM 1378 O GLN A 89 -4.441 15.186 -1.179 1.00 0.00 O ATOM 1379 CB GLN A 89 -4.617 13.897 -4.119 1.00 0.00 C ATOM 1380 CG GLN A 89 -5.822 14.810 -3.863 1.00 0.00 C ATOM 1381 CD GLN A 89 -5.411 16.276 -3.974 1.00 0.00 C ATOM 1382 OE1 GLN A 89 -4.865 16.694 -4.995 1.00 0.00 O ATOM 1383 NE2 GLN A 89 -5.643 17.087 -2.978 1.00 0.00 N ATOM 0 H GLN A 89 -2.588 12.360 -3.217 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.132 15.278 -3.387 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -4.291 13.994 -5.155 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.902 12.855 -3.971 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.611 14.591 -4.582 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.231 14.614 -2.872 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -6.095 16.740 -2.132 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -5.372 18.068 -3.045 1.00 0.00 H new ATOM 1392 N GLN A 90 -3.789 13.028 -1.113 1.00 0.00 N ATOM 1393 CA GLN A 90 -4.197 12.827 0.270 1.00 0.00 C ATOM 1394 C GLN A 90 -3.258 11.834 0.946 1.00 0.00 C ATOM 1395 O GLN A 90 -3.105 10.703 0.491 1.00 0.00 O ATOM 1396 CB GLN A 90 -5.638 12.301 0.323 1.00 0.00 C ATOM 1397 CG GLN A 90 -6.153 12.347 1.764 1.00 0.00 C ATOM 1398 CD GLN A 90 -7.630 11.962 1.812 1.00 0.00 C ATOM 1399 OE1 GLN A 90 -8.544 12.881 1.667 1.00 0.00 O flip ATOM 1400 NE2 GLN A 90 -7.965 10.793 1.990 1.00 0.00 N flip ATOM 0 H GLN A 90 -3.381 12.205 -1.555 1.00 0.00 H new ATOM 0 HA GLN A 90 -4.149 13.781 0.796 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.279 12.903 -0.321 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.676 11.279 -0.054 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -5.572 11.666 2.387 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -6.018 13.348 2.174 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.254 10.070 2.104 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.954 10.545 2.024 1.00 0.00 H new ATOM 1409 N ILE A 91 -2.634 12.270 2.030 1.00 0.00 N ATOM 1410 CA ILE A 91 -1.708 11.418 2.770 1.00 0.00 C ATOM 1411 C ILE A 91 -2.240 11.167 4.183 1.00 0.00 C ATOM 1412 O ILE A 91 -2.399 12.102 4.968 1.00 0.00 O ATOM 1413 CB ILE A 91 -0.322 12.077 2.832 1.00 0.00 C ATOM 1414 CG1 ILE A 91 0.640 11.181 3.625 1.00 0.00 C ATOM 1415 CG2 ILE A 91 -0.419 13.453 3.506 1.00 0.00 C ATOM 1416 CD1 ILE A 91 2.062 11.344 3.081 1.00 0.00 C ATOM 0 H ILE A 91 -2.750 13.206 2.418 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.618 10.461 2.255 1.00 0.00 H new ATOM 0 HB ILE A 91 0.054 12.206 1.817 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.612 11.446 4.682 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.328 10.139 3.549 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.570 13.910 3.544 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.092 14.092 2.934 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.804 13.336 4.519 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.743 10.707 3.646 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.084 11.057 2.030 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.372 12.384 3.180 1.00 0.00 H new ATOM 1428 N PRO A 92 -2.526 9.930 4.517 1.00 0.00 N ATOM 1429 CA PRO A 92 -3.059 9.571 5.859 1.00 0.00 C ATOM 1430 C PRO A 92 -2.013 9.746 6.961 1.00 0.00 C ATOM 1431 O PRO A 92 -0.827 9.486 6.749 1.00 0.00 O ATOM 1432 CB PRO A 92 -3.486 8.099 5.739 1.00 0.00 C ATOM 1433 CG PRO A 92 -3.196 7.661 4.335 1.00 0.00 C ATOM 1434 CD PRO A 92 -2.368 8.752 3.655 1.00 0.00 C ATOM 0 HA PRO A 92 -3.887 10.222 6.140 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.941 7.482 6.454 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.547 7.987 5.965 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.652 6.716 4.336 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.125 7.493 3.790 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.321 8.460 3.571 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -2.726 8.949 2.645 1.00 0.00 H new ATOM 1442 N PRO A 93 -2.435 10.182 8.126 1.00 0.00 N ATOM 1443 CA PRO A 93 -1.527 10.396 9.289 1.00 0.00 C ATOM 1444 C PRO A 93 -0.629 9.186 9.541 1.00 0.00 C ATOM 1445 O PRO A 93 0.455 9.312 10.112 1.00 0.00 O ATOM 1446 CB PRO A 93 -2.462 10.631 10.485 1.00 0.00 C ATOM 1447 CG PRO A 93 -3.869 10.533 9.977 1.00 0.00 C ATOM 1448 CD PRO A 93 -3.824 10.520 8.449 1.00 0.00 C ATOM 0 HA PRO A 93 -0.852 11.234 9.114 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -2.282 9.890 11.264 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.281 11.610 10.928 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.346 9.627 10.351 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.461 11.376 10.333 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.517 9.786 8.038 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.103 11.489 8.035 1.00 0.00 H new ATOM 1456 N GLU A 94 -1.095 8.016 9.108 1.00 0.00 N ATOM 1457 CA GLU A 94 -0.338 6.780 9.281 1.00 0.00 C ATOM 1458 C GLU A 94 0.997 6.863 8.550 1.00 0.00 C ATOM 1459 O GLU A 94 2.058 6.707 9.156 1.00 0.00 O ATOM 1460 CB GLU A 94 -1.145 5.603 8.733 1.00 0.00 C ATOM 1461 CG GLU A 94 -0.536 4.284 9.220 1.00 0.00 C ATOM 1462 CD GLU A 94 -0.792 4.106 10.715 1.00 0.00 C ATOM 1463 OE1 GLU A 94 -1.903 3.746 11.068 1.00 0.00 O ATOM 1464 OE2 GLU A 94 0.126 4.334 11.484 1.00 0.00 O ATOM 0 H GLU A 94 -1.992 7.899 8.636 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.148 6.634 10.344 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.182 5.678 9.060 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.151 5.631 7.643 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.968 3.450 8.668 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.536 4.275 9.023 1.00 0.00 H new ATOM 1471 N VAL A 95 0.934 7.122 7.245 1.00 0.00 N ATOM 1472 CA VAL A 95 2.143 7.236 6.439 1.00 0.00 C ATOM 1473 C VAL A 95 2.865 8.528 6.795 1.00 0.00 C ATOM 1474 O VAL A 95 4.060 8.683 6.542 1.00 0.00 O ATOM 1475 CB VAL A 95 1.786 7.235 4.947 1.00 0.00 C ATOM 1476 CG1 VAL A 95 3.044 6.969 4.114 1.00 0.00 C ATOM 1477 CG2 VAL A 95 0.753 6.139 4.665 1.00 0.00 C ATOM 0 H VAL A 95 0.065 7.256 6.729 1.00 0.00 H new ATOM 0 HA VAL A 95 2.793 6.385 6.644 1.00 0.00 H new ATOM 0 HB VAL A 95 1.371 8.207 4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.786 6.969 3.055 1.00 0.00 H new ATOM 0 HG12 VAL A 95 3.781 7.749 4.308 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.462 6.000 4.385 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.501 6.141 3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.168 5.169 4.938 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.146 6.327 5.252 1.00 0.00 H new ATOM 1487 N ALA A 96 2.115 9.446 7.394 1.00 0.00 N ATOM 1488 CA ALA A 96 2.663 10.730 7.803 1.00 0.00 C ATOM 1489 C ALA A 96 3.519 10.571 9.056 1.00 0.00 C ATOM 1490 O ALA A 96 4.389 11.393 9.333 1.00 0.00 O ATOM 1491 CB ALA A 96 1.527 11.719 8.075 1.00 0.00 C ATOM 0 H ALA A 96 1.125 9.323 7.607 1.00 0.00 H new ATOM 0 HA ALA A 96 3.289 11.112 6.997 1.00 0.00 H new ATOM 0 HB1 ALA A 96 1.945 12.678 8.381 1.00 0.00 H new ATOM 0 HB2 ALA A 96 0.936 11.853 7.169 1.00 0.00 H new ATOM 0 HB3 ALA A 96 0.889 11.331 8.870 1.00 0.00 H new ATOM 1497 N ALA A 97 3.264 9.508 9.813 1.00 0.00 N ATOM 1498 CA ALA A 97 4.016 9.252 11.039 1.00 0.00 C ATOM 1499 C ALA A 97 5.488 8.980 10.732 1.00 0.00 C ATOM 1500 O ALA A 97 6.342 9.085 11.613 1.00 0.00 O ATOM 1501 CB ALA A 97 3.413 8.057 11.781 1.00 0.00 C ATOM 0 H ALA A 97 2.547 8.814 9.602 1.00 0.00 H new ATOM 0 HA ALA A 97 3.954 10.140 11.668 1.00 0.00 H new ATOM 0 HB1 ALA A 97 3.979 7.872 12.694 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.375 8.272 12.035 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.455 7.174 11.143 1.00 0.00 H new ATOM 1507 N LEU A 98 5.777 8.624 9.479 1.00 0.00 N ATOM 1508 CA LEU A 98 7.151 8.332 9.070 1.00 0.00 C ATOM 1509 C LEU A 98 7.732 9.466 8.224 1.00 0.00 C ATOM 1510 O LEU A 98 8.946 9.553 8.040 1.00 0.00 O ATOM 1511 CB LEU A 98 7.186 7.026 8.269 1.00 0.00 C ATOM 1512 CG LEU A 98 6.603 5.886 9.112 1.00 0.00 C ATOM 1513 CD1 LEU A 98 6.459 4.631 8.248 1.00 0.00 C ATOM 1514 CD2 LEU A 98 7.535 5.590 10.293 1.00 0.00 C ATOM 0 H LEU A 98 5.084 8.532 8.736 1.00 0.00 H new ATOM 0 HA LEU A 98 7.757 8.232 9.970 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.615 7.138 7.347 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.211 6.791 7.982 1.00 0.00 H new ATOM 0 HG LEU A 98 5.624 6.181 9.489 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.044 3.821 8.849 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.793 4.840 7.411 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.437 4.337 7.868 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.119 4.779 10.891 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.516 5.298 9.918 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.634 6.482 10.911 1.00 0.00 H new ATOM 1526 N ILE A 99 6.859 10.329 7.708 1.00 0.00 N ATOM 1527 CA ILE A 99 7.298 11.450 6.878 1.00 0.00 C ATOM 1528 C ILE A 99 7.242 12.759 7.666 1.00 0.00 C ATOM 1529 O ILE A 99 8.096 13.631 7.502 1.00 0.00 O ATOM 1530 CB ILE A 99 6.407 11.548 5.632 1.00 0.00 C ATOM 1531 CG1 ILE A 99 6.781 10.426 4.654 1.00 0.00 C ATOM 1532 CG2 ILE A 99 6.609 12.907 4.949 1.00 0.00 C ATOM 1533 CD1 ILE A 99 5.642 10.210 3.653 1.00 0.00 C ATOM 0 H ILE A 99 5.850 10.275 7.848 1.00 0.00 H new ATOM 0 HA ILE A 99 8.330 11.277 6.573 1.00 0.00 H new ATOM 0 HB ILE A 99 5.363 11.449 5.928 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.699 10.683 4.125 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.976 9.504 5.201 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.973 12.968 4.066 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.345 13.706 5.642 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.653 13.014 4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.912 9.413 2.961 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.734 9.933 4.189 1.00 0.00 H new ATOM 0 HD13 ILE A 99 5.468 11.130 3.096 1.00 0.00 H new ATOM 1545 N ASN A 100 6.230 12.884 8.519 1.00 0.00 N ATOM 1546 CA ASN A 100 6.060 14.085 9.333 1.00 0.00 C ATOM 1547 C ASN A 100 7.014 14.076 10.523 1.00 0.00 C ATOM 1548 O ASN A 100 7.084 15.054 11.266 1.00 0.00 O ATOM 1549 CB ASN A 100 4.619 14.162 9.840 1.00 0.00 C ATOM 1550 CG ASN A 100 4.200 15.616 10.051 1.00 0.00 C ATOM 1551 OD1 ASN A 100 5.042 16.480 10.300 1.00 0.00 O ATOM 1552 ND2 ASN A 100 2.938 15.938 9.970 1.00 0.00 N ATOM 0 H ASN A 100 5.516 12.170 8.665 1.00 0.00 H new ATOM 0 HA ASN A 100 6.284 14.954 8.714 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.950 13.685 9.124 1.00 0.00 H new ATOM 0 HB3 ASN A 100 4.527 13.612 10.777 1.00 0.00 H new ATOM 0 HD21 ASN A 100 2.648 16.906 10.113 1.00 0.00 H new ATOM 0 HD22 ASN A 100 2.241 15.222 9.764 1.00 0.00 H new