USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 661 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 11 THR OG1 : rot -60:sc= 0.845 USER MOD Set 1.2: A 28 GLN :FLIP amide:sc= 0.741 F(o=0.5,f=1.6) USER MOD Single : A 8 GLN : amide:sc=-0.00283 K(o=-0.0028,f=-0.54) USER MOD Single : A 13 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0226) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 133:sc= -2.41! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 166:sc= -0.832 (180deg=-1.06) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00786 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= 0.398 (180deg=0.361) USER MOD Single : A 43 SER OG : rot 64:sc= 1.19 USER MOD Single : A 47 LYS NZ :NH3+ -164:sc= -0.0286 (180deg=-0.245) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 143:sc= 0.0773 USER MOD Single : A 57 TYR OH : rot -47:sc= 1.1 USER MOD Single : A 59 SER OG : rot -140:sc= -0.981 USER MOD Single : A 60 SER OG : rot 180:sc= 0.00615 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 165:sc= 0 (180deg=-0.172) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -0.0988 K(o=-0.099,f=-3.7!) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.675 USER MOD Single : A 80 SER OG : rot -56:sc= 0.00776 USER MOD Single : A 83 ASN : amide:sc= -1.06 X(o=-1.1,f=-1.1!) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLN A 8 -0.169 4.940 -13.363 1.00 0.00 N ATOM 67 CA GLN A 8 0.520 3.689 -13.655 1.00 0.00 C ATOM 68 C GLN A 8 0.544 2.781 -12.430 1.00 0.00 C ATOM 69 O GLN A 8 0.578 3.256 -11.294 1.00 0.00 O ATOM 70 CB GLN A 8 1.948 3.966 -14.128 1.00 0.00 C ATOM 71 CG GLN A 8 2.879 4.420 -13.015 1.00 0.00 C ATOM 72 CD GLN A 8 3.985 5.329 -13.515 1.00 0.00 C ATOM 73 OE1 GLN A 8 4.340 5.304 -14.694 1.00 0.00 O ATOM 74 NE2 GLN A 8 4.536 6.139 -12.618 1.00 0.00 N ATOM 0 HA GLN A 8 -0.026 3.181 -14.450 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.353 3.062 -14.583 1.00 0.00 H new ATOM 0 HB3 GLN A 8 1.923 4.731 -14.904 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.301 4.943 -12.253 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.321 3.546 -12.536 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.210 6.126 -11.651 1.00 0.00 H new ATOM 0 HE22 GLN A 8 5.285 6.774 -12.896 1.00 0.00 H new ATOM 83 N LEU A 9 0.526 1.474 -12.667 1.00 0.00 N ATOM 84 CA LEU A 9 0.545 0.499 -11.582 1.00 0.00 C ATOM 85 C LEU A 9 1.960 0.313 -11.043 1.00 0.00 C ATOM 86 O LEU A 9 2.917 0.189 -11.809 1.00 0.00 O ATOM 87 CB LEU A 9 -0.010 -0.842 -12.065 1.00 0.00 C ATOM 88 CG LEU A 9 -1.524 -1.021 -11.952 1.00 0.00 C ATOM 89 CD1 LEU A 9 -2.210 -0.599 -13.242 1.00 0.00 C ATOM 90 CD2 LEU A 9 -1.866 -2.464 -11.612 1.00 0.00 C ATOM 0 H LEU A 9 0.498 1.065 -13.601 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.085 0.876 -10.776 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.275 -0.976 -13.109 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.473 -1.638 -11.498 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.887 -0.382 -11.146 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.287 -0.734 -13.142 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.993 0.450 -13.443 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.843 -1.210 -14.066 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.948 -2.573 -11.535 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.489 -3.121 -12.396 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.406 -2.733 -10.661 1.00 0.00 H new ATOM 102 N LEU A 10 2.086 0.291 -9.721 1.00 0.00 N ATOM 103 CA LEU A 10 3.384 0.117 -9.078 1.00 0.00 C ATOM 104 C LEU A 10 3.502 -1.271 -8.456 1.00 0.00 C ATOM 105 O LEU A 10 2.512 -1.846 -8.001 1.00 0.00 O ATOM 106 CB LEU A 10 3.593 1.188 -8.007 1.00 0.00 C ATOM 107 CG LEU A 10 2.903 2.530 -8.256 1.00 0.00 C ATOM 108 CD1 LEU A 10 3.218 3.508 -7.135 1.00 0.00 C ATOM 109 CD2 LEU A 10 3.323 3.104 -9.601 1.00 0.00 C ATOM 0 H LEU A 10 1.305 0.392 -9.073 1.00 0.00 H new ATOM 0 HA LEU A 10 4.156 0.220 -9.841 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.242 0.793 -7.054 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.663 1.366 -7.904 1.00 0.00 H new ATOM 0 HG LEU A 10 1.826 2.365 -8.274 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.719 4.457 -7.329 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.867 3.100 -6.187 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.295 3.668 -7.084 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.822 4.059 -9.761 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.403 3.254 -9.611 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.045 2.411 -10.395 1.00 0.00 H new ATOM 121 N THR A 11 4.719 -1.804 -8.438 1.00 0.00 N ATOM 122 CA THR A 11 4.967 -3.124 -7.871 1.00 0.00 C ATOM 123 C THR A 11 5.574 -3.018 -6.476 1.00 0.00 C ATOM 124 O THR A 11 6.758 -2.712 -6.325 1.00 0.00 O ATOM 125 CB THR A 11 5.908 -3.952 -8.766 1.00 0.00 C ATOM 126 OG1 THR A 11 5.435 -3.939 -10.117 1.00 0.00 O ATOM 127 CG2 THR A 11 6.002 -5.387 -8.270 1.00 0.00 C ATOM 0 H THR A 11 5.549 -1.342 -8.810 1.00 0.00 H new ATOM 0 HA THR A 11 4.002 -3.627 -7.807 1.00 0.00 H new ATOM 0 HB THR A 11 6.901 -3.504 -8.725 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.533 -4.321 -10.152 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.672 -5.953 -8.918 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.389 -5.395 -7.251 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.012 -5.843 -8.285 1.00 0.00 H new ATOM 135 N LEU A 12 4.757 -3.272 -5.460 1.00 0.00 N ATOM 136 CA LEU A 12 5.214 -3.206 -4.076 1.00 0.00 C ATOM 137 C LEU A 12 4.887 -4.497 -3.332 1.00 0.00 C ATOM 138 O LEU A 12 4.025 -5.268 -3.754 1.00 0.00 O ATOM 139 CB LEU A 12 4.571 -2.016 -3.362 1.00 0.00 C ATOM 140 CG LEU A 12 4.518 -0.708 -4.152 1.00 0.00 C ATOM 141 CD1 LEU A 12 3.365 0.159 -3.672 1.00 0.00 C ATOM 142 CD2 LEU A 12 5.837 0.041 -4.032 1.00 0.00 C ATOM 0 H LEU A 12 3.775 -3.526 -5.568 1.00 0.00 H new ATOM 0 HA LEU A 12 6.296 -3.076 -4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.553 -2.291 -3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.116 -1.836 -2.436 1.00 0.00 H new ATOM 0 HG LEU A 12 4.353 -0.947 -5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.343 1.086 -4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.425 -0.376 -3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.499 0.390 -2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.781 0.969 -4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.032 0.268 -2.984 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.644 -0.577 -4.425 1.00 0.00 H new ATOM 154 N LYS A 13 5.580 -4.726 -2.222 1.00 0.00 N ATOM 155 CA LYS A 13 5.362 -5.921 -1.416 1.00 0.00 C ATOM 156 C LYS A 13 4.630 -5.579 -0.122 1.00 0.00 C ATOM 157 O LYS A 13 5.068 -4.718 0.641 1.00 0.00 O ATOM 158 CB LYS A 13 6.698 -6.595 -1.095 1.00 0.00 C ATOM 159 CG LYS A 13 7.191 -7.521 -2.194 1.00 0.00 C ATOM 160 CD LYS A 13 8.493 -8.202 -1.806 1.00 0.00 C ATOM 161 CE LYS A 13 9.064 -9.011 -2.961 1.00 0.00 C ATOM 162 NZ LYS A 13 8.189 -10.162 -3.318 1.00 0.00 N ATOM 0 H LYS A 13 6.298 -4.099 -1.860 1.00 0.00 H new ATOM 0 HA LYS A 13 4.743 -6.609 -1.992 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.449 -5.826 -0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.596 -7.164 -0.171 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.433 -8.276 -2.403 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.336 -6.952 -3.112 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.218 -7.451 -1.493 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.322 -8.856 -0.951 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.188 -8.365 -3.830 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.055 -9.378 -2.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.653 -10.736 -4.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.022 -10.746 -2.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.280 -9.808 -3.679 1.00 0.00 H new ATOM 176 N ILE A 14 3.514 -6.259 0.118 1.00 0.00 N ATOM 177 CA ILE A 14 2.723 -6.028 1.321 1.00 0.00 C ATOM 178 C ILE A 14 3.191 -6.921 2.466 1.00 0.00 C ATOM 179 O ILE A 14 3.210 -8.146 2.345 1.00 0.00 O ATOM 180 CB ILE A 14 1.225 -6.281 1.067 1.00 0.00 C ATOM 181 CG1 ILE A 14 0.675 -5.260 0.069 1.00 0.00 C ATOM 182 CG2 ILE A 14 0.449 -6.224 2.374 1.00 0.00 C ATOM 183 CD1 ILE A 14 0.834 -5.680 -1.375 1.00 0.00 C ATOM 0 H ILE A 14 3.137 -6.974 -0.504 1.00 0.00 H new ATOM 0 HA ILE A 14 2.865 -4.983 1.597 1.00 0.00 H new ATOM 0 HB ILE A 14 1.107 -7.277 0.641 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.382 -5.095 0.276 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.182 -4.307 0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.608 -6.405 2.178 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.827 -6.986 3.055 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.571 -5.240 2.827 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.422 -4.909 -2.026 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.892 -5.818 -1.600 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.303 -6.617 -1.542 1.00 0.00 H new ATOM 195 N LYS A 15 3.566 -6.298 3.578 1.00 0.00 N ATOM 196 CA LYS A 15 4.031 -7.034 4.748 1.00 0.00 C ATOM 197 C LYS A 15 3.462 -6.435 6.030 1.00 0.00 C ATOM 198 O LYS A 15 3.770 -5.296 6.383 1.00 0.00 O ATOM 199 CB LYS A 15 5.560 -7.029 4.804 1.00 0.00 C ATOM 200 CG LYS A 15 6.127 -7.745 6.019 1.00 0.00 C ATOM 201 CD LYS A 15 7.575 -7.358 6.269 1.00 0.00 C ATOM 202 CE LYS A 15 7.975 -7.604 7.716 1.00 0.00 C ATOM 203 NZ LYS A 15 9.251 -6.919 8.062 1.00 0.00 N ATOM 0 H LYS A 15 3.557 -5.285 3.694 1.00 0.00 H new ATOM 0 HA LYS A 15 3.680 -8.062 4.662 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.950 -7.499 3.901 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.912 -5.997 4.804 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.528 -7.503 6.897 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.058 -8.823 5.872 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.225 -7.931 5.608 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.719 -6.306 6.024 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.183 -7.252 8.377 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.080 -8.675 7.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.490 -7.111 9.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.013 -7.273 7.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.143 -5.894 7.923 1.00 0.00 H new ATOM 217 N CYS A 16 2.633 -7.208 6.722 1.00 0.00 N ATOM 218 CA CYS A 16 2.022 -6.753 7.966 1.00 0.00 C ATOM 219 C CYS A 16 3.074 -6.575 9.055 1.00 0.00 C ATOM 220 O CYS A 16 3.873 -7.475 9.314 1.00 0.00 O ATOM 221 CB CYS A 16 0.955 -7.747 8.427 1.00 0.00 C ATOM 222 SG CYS A 16 -0.388 -6.999 9.378 1.00 0.00 S ATOM 0 H CYS A 16 2.368 -8.153 6.443 1.00 0.00 H new ATOM 0 HA CYS A 16 1.552 -5.787 7.780 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.534 -8.243 7.553 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.430 -8.518 9.034 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.529 -7.432 8.932 1.00 0.00 H new ATOM 340 N ILE A 24 5.229 -12.559 2.866 1.00 0.00 N ATOM 341 CA ILE A 24 5.011 -11.313 2.142 1.00 0.00 C ATOM 342 C ILE A 24 4.352 -11.570 0.791 1.00 0.00 C ATOM 343 O ILE A 24 4.575 -12.609 0.167 1.00 0.00 O ATOM 344 CB ILE A 24 6.331 -10.552 1.920 1.00 0.00 C ATOM 345 CG1 ILE A 24 7.019 -10.279 3.259 1.00 0.00 C ATOM 346 CG2 ILE A 24 6.073 -9.250 1.176 1.00 0.00 C ATOM 347 CD1 ILE A 24 8.509 -10.045 3.136 1.00 0.00 C ATOM 0 HA ILE A 24 4.349 -10.703 2.757 1.00 0.00 H new ATOM 0 HB ILE A 24 6.992 -11.170 1.313 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.559 -9.406 3.723 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.846 -11.123 3.926 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.016 -8.723 1.027 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.621 -9.467 0.208 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.397 -8.625 1.760 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.931 -9.858 4.124 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.981 -10.926 2.701 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.690 -9.182 2.495 1.00 0.00 H new ATOM 359 N LEU A 25 3.541 -10.618 0.344 1.00 0.00 N ATOM 360 CA LEU A 25 2.850 -10.740 -0.935 1.00 0.00 C ATOM 361 C LEU A 25 3.178 -9.560 -1.845 1.00 0.00 C ATOM 362 O LEU A 25 3.809 -8.593 -1.420 1.00 0.00 O ATOM 363 CB LEU A 25 1.339 -10.824 -0.715 1.00 0.00 C ATOM 364 CG LEU A 25 0.836 -12.069 0.017 1.00 0.00 C ATOM 365 CD1 LEU A 25 1.187 -11.998 1.495 1.00 0.00 C ATOM 366 CD2 LEU A 25 -0.666 -12.226 -0.169 1.00 0.00 C ATOM 0 H LEU A 25 3.346 -9.753 0.848 1.00 0.00 H new ATOM 0 HA LEU A 25 3.192 -11.655 -1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.024 -9.945 -0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.847 -10.774 -1.686 1.00 0.00 H new ATOM 0 HG LEU A 25 1.329 -12.942 -0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.821 -12.892 1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.269 -11.934 1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.723 -11.117 1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.007 -13.117 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.176 -11.350 0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.893 -12.324 -1.231 1.00 0.00 H new ATOM 378 N GLU A 26 2.742 -9.647 -3.098 1.00 0.00 N ATOM 379 CA GLU A 26 2.989 -8.586 -4.067 1.00 0.00 C ATOM 380 C GLU A 26 1.696 -8.179 -4.769 1.00 0.00 C ATOM 381 O GLU A 26 1.024 -9.005 -5.387 1.00 0.00 O ATOM 382 CB GLU A 26 4.022 -9.039 -5.101 1.00 0.00 C ATOM 383 CG GLU A 26 4.421 -7.948 -6.081 1.00 0.00 C ATOM 384 CD GLU A 26 3.456 -7.828 -7.245 1.00 0.00 C ATOM 385 OE1 GLU A 26 3.172 -8.861 -7.889 1.00 0.00 O ATOM 386 OE2 GLU A 26 2.985 -6.703 -7.512 1.00 0.00 O ATOM 0 H GLU A 26 2.217 -10.440 -3.465 1.00 0.00 H new ATOM 0 HA GLU A 26 3.379 -7.722 -3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.913 -9.393 -4.582 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.620 -9.886 -5.657 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.472 -6.994 -5.556 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.421 -8.155 -6.463 1.00 0.00 H new ATOM 393 N LYS A 27 1.353 -6.899 -4.668 1.00 0.00 N ATOM 394 CA LYS A 27 0.142 -6.380 -5.291 1.00 0.00 C ATOM 395 C LYS A 27 0.452 -5.153 -6.144 1.00 0.00 C ATOM 396 O LYS A 27 1.201 -4.271 -5.727 1.00 0.00 O ATOM 397 CB LYS A 27 -0.894 -6.023 -4.223 1.00 0.00 C ATOM 398 CG LYS A 27 -2.322 -6.010 -4.741 1.00 0.00 C ATOM 399 CD LYS A 27 -2.911 -7.410 -4.787 1.00 0.00 C ATOM 400 CE LYS A 27 -4.385 -7.383 -5.159 1.00 0.00 C ATOM 401 NZ LYS A 27 -5.008 -8.731 -5.057 1.00 0.00 N ATOM 0 H LYS A 27 1.897 -6.202 -4.160 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.265 -7.157 -5.937 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.820 -6.738 -3.404 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.657 -5.042 -3.812 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.936 -5.377 -4.101 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.344 -5.572 -5.739 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.363 -8.013 -5.511 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.789 -7.889 -3.816 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.912 -6.689 -4.504 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.496 -7.008 -6.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.013 -8.670 -5.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.522 -9.388 -5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.925 -9.079 -4.080 1.00 0.00 H new ATOM 415 N GLN A 28 -0.130 -5.105 -7.338 1.00 0.00 N ATOM 416 CA GLN A 28 0.085 -3.986 -8.247 1.00 0.00 C ATOM 417 C GLN A 28 -1.130 -3.064 -8.271 1.00 0.00 C ATOM 418 O GLN A 28 -2.230 -3.478 -8.638 1.00 0.00 O ATOM 419 CB GLN A 28 0.379 -4.498 -9.658 1.00 0.00 C ATOM 420 CG GLN A 28 1.710 -5.222 -9.777 1.00 0.00 C ATOM 421 CD GLN A 28 2.214 -5.288 -11.206 1.00 0.00 C ATOM 422 OE1 GLN A 28 3.234 -4.495 -11.511 1.00 0.00 O flip ATOM 423 NE2 GLN A 28 1.691 -6.043 -12.026 1.00 0.00 N flip ATOM 0 H GLN A 28 -0.754 -5.828 -7.698 1.00 0.00 H new ATOM 0 HA GLN A 28 0.943 -3.418 -7.888 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.421 -5.172 -9.965 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.370 -3.656 -10.350 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.451 -4.716 -9.158 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.605 -6.234 -9.386 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.909 -6.635 -11.747 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.040 -6.076 -12.984 1.00 0.00 H new ATOM 432 N LEU A 29 -0.923 -1.812 -7.878 1.00 0.00 N ATOM 433 CA LEU A 29 -2.001 -0.829 -7.854 1.00 0.00 C ATOM 434 C LEU A 29 -1.563 0.477 -8.509 1.00 0.00 C ATOM 435 O LEU A 29 -0.402 0.880 -8.431 1.00 0.00 O ATOM 436 CB LEU A 29 -2.447 -0.567 -6.414 1.00 0.00 C ATOM 437 CG LEU A 29 -2.674 -1.805 -5.546 1.00 0.00 C ATOM 438 CD1 LEU A 29 -3.627 -2.771 -6.233 1.00 0.00 C ATOM 439 CD2 LEU A 29 -1.351 -2.488 -5.235 1.00 0.00 C ATOM 0 H LEU A 29 -0.019 -1.453 -7.572 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.840 -1.233 -8.420 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.697 0.058 -5.931 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.372 0.008 -6.440 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.126 -1.488 -4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.777 -3.646 -5.601 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.584 -2.278 -6.403 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.204 -3.082 -7.188 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.532 -3.367 -4.616 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.871 -2.792 -6.165 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.701 -1.796 -4.700 1.00 0.00 H new ATOM 451 N PRO A 30 -2.513 1.156 -9.169 1.00 0.00 N ATOM 452 CA PRO A 30 -2.249 2.428 -9.847 1.00 0.00 C ATOM 453 C PRO A 30 -1.980 3.564 -8.866 1.00 0.00 C ATOM 454 O PRO A 30 -2.799 3.850 -7.993 1.00 0.00 O ATOM 455 CB PRO A 30 -3.541 2.689 -10.626 1.00 0.00 C ATOM 456 CG PRO A 30 -4.593 1.951 -9.873 1.00 0.00 C ATOM 457 CD PRO A 30 -3.918 0.735 -9.302 1.00 0.00 C ATOM 0 HA PRO A 30 -1.359 2.378 -10.474 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.764 3.755 -10.677 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.464 2.330 -11.652 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.014 2.571 -9.082 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.417 1.668 -10.529 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.346 0.452 -8.340 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.019 -0.127 -9.961 1.00 0.00 H new ATOM 465 N ASP A 31 -0.828 4.209 -9.016 1.00 0.00 N ATOM 466 CA ASP A 31 -0.452 5.315 -8.144 1.00 0.00 C ATOM 467 C ASP A 31 -1.626 6.268 -7.937 1.00 0.00 C ATOM 468 O ASP A 31 -1.682 6.994 -6.945 1.00 0.00 O ATOM 469 CB ASP A 31 0.739 6.073 -8.731 1.00 0.00 C ATOM 470 CG ASP A 31 0.352 6.928 -9.922 1.00 0.00 C ATOM 471 OD1 ASP A 31 -0.274 7.987 -9.713 1.00 0.00 O ATOM 472 OD2 ASP A 31 0.674 6.536 -11.063 1.00 0.00 O ATOM 0 H ASP A 31 -0.139 3.985 -9.734 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.168 4.902 -7.176 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.178 6.706 -7.960 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.506 5.360 -9.033 1.00 0.00 H new ATOM 477 N SER A 32 -2.561 6.260 -8.882 1.00 0.00 N ATOM 478 CA SER A 32 -3.731 7.127 -8.807 1.00 0.00 C ATOM 479 C SER A 32 -4.605 6.757 -7.613 1.00 0.00 C ATOM 480 O SER A 32 -5.125 7.628 -6.916 1.00 0.00 O ATOM 481 CB SER A 32 -4.545 7.034 -10.098 1.00 0.00 C ATOM 482 OG SER A 32 -5.694 7.861 -10.038 1.00 0.00 O ATOM 0 H SER A 32 -2.531 5.663 -9.708 1.00 0.00 H new ATOM 0 HA SER A 32 -3.385 8.153 -8.678 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.925 7.329 -10.944 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.846 6.000 -10.268 1.00 0.00 H new ATOM 0 HG SER A 32 -6.196 7.785 -10.876 1.00 0.00 H new ATOM 488 N MET A 33 -4.762 5.457 -7.383 1.00 0.00 N ATOM 489 CA MET A 33 -5.572 4.970 -6.272 1.00 0.00 C ATOM 490 C MET A 33 -5.214 5.696 -4.979 1.00 0.00 C ATOM 491 O MET A 33 -4.088 5.596 -4.490 1.00 0.00 O ATOM 492 CB MET A 33 -5.380 3.463 -6.095 1.00 0.00 C ATOM 493 CG MET A 33 -6.596 2.760 -5.513 1.00 0.00 C ATOM 494 SD MET A 33 -6.728 1.043 -6.049 1.00 0.00 S ATOM 495 CE MET A 33 -5.854 0.208 -4.727 1.00 0.00 C ATOM 0 H MET A 33 -4.339 4.723 -7.951 1.00 0.00 H new ATOM 0 HA MET A 33 -6.618 5.171 -6.502 1.00 0.00 H new ATOM 0 HB2 MET A 33 -5.142 3.019 -7.062 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.523 3.288 -5.444 1.00 0.00 H new ATOM 0 HG2 MET A 33 -6.544 2.794 -4.425 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.497 3.298 -5.806 1.00 0.00 H new ATOM 0 HE1 MET A 33 -6.057 -0.862 -4.775 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.783 0.379 -4.834 1.00 0.00 H new ATOM 0 HE3 MET A 33 -6.189 0.598 -3.766 1.00 0.00 H new ATOM 505 N THR A 34 -6.179 6.427 -4.429 1.00 0.00 N ATOM 506 CA THR A 34 -5.965 7.170 -3.194 1.00 0.00 C ATOM 507 C THR A 34 -5.714 6.227 -2.022 1.00 0.00 C ATOM 508 O THR A 34 -6.335 5.169 -1.919 1.00 0.00 O ATOM 509 CB THR A 34 -7.169 8.071 -2.864 1.00 0.00 C ATOM 510 OG1 THR A 34 -8.390 7.350 -3.064 1.00 0.00 O ATOM 511 CG2 THR A 34 -7.164 9.320 -3.733 1.00 0.00 C ATOM 0 H THR A 34 -7.116 6.520 -4.820 1.00 0.00 H new ATOM 0 HA THR A 34 -5.086 7.795 -3.350 1.00 0.00 H new ATOM 0 HB THR A 34 -7.093 8.373 -1.820 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.151 7.930 -2.850 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.024 9.941 -3.482 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.247 9.882 -3.557 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.218 9.033 -4.783 1.00 0.00 H new ATOM 519 N VAL A 35 -4.801 6.619 -1.138 1.00 0.00 N ATOM 520 CA VAL A 35 -4.470 5.809 0.028 1.00 0.00 C ATOM 521 C VAL A 35 -5.715 5.151 0.612 1.00 0.00 C ATOM 522 O VAL A 35 -5.651 4.044 1.144 1.00 0.00 O ATOM 523 CB VAL A 35 -3.788 6.653 1.121 1.00 0.00 C ATOM 524 CG1 VAL A 35 -3.381 5.777 2.296 1.00 0.00 C ATOM 525 CG2 VAL A 35 -2.584 7.390 0.553 1.00 0.00 C ATOM 0 H VAL A 35 -4.278 7.492 -1.208 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.779 5.036 -0.309 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.502 7.394 1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.901 6.391 3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.266 5.300 2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.684 5.011 1.955 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.115 7.981 1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.866 6.668 0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.908 8.049 -0.252 1.00 0.00 H new ATOM 535 N GLN A 36 -6.846 5.841 0.508 1.00 0.00 N ATOM 536 CA GLN A 36 -8.107 5.323 1.026 1.00 0.00 C ATOM 537 C GLN A 36 -8.494 4.028 0.320 1.00 0.00 C ATOM 538 O GLN A 36 -8.675 2.991 0.958 1.00 0.00 O ATOM 539 CB GLN A 36 -9.217 6.362 0.858 1.00 0.00 C ATOM 540 CG GLN A 36 -10.616 5.787 1.008 1.00 0.00 C ATOM 541 CD GLN A 36 -11.612 6.802 1.533 1.00 0.00 C ATOM 542 OE1 GLN A 36 -12.054 6.720 2.679 1.00 0.00 O ATOM 543 NE2 GLN A 36 -11.970 7.768 0.695 1.00 0.00 N ATOM 0 H GLN A 36 -6.915 6.760 0.070 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.976 5.111 2.087 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -9.077 7.153 1.595 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.126 6.823 -0.126 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.957 5.415 0.042 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -10.583 4.933 1.684 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.578 7.798 -0.246 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.636 8.480 0.993 1.00 0.00 H new ATOM 552 N LYS A 37 -8.621 4.096 -1.001 1.00 0.00 N ATOM 553 CA LYS A 37 -8.987 2.929 -1.795 1.00 0.00 C ATOM 554 C LYS A 37 -8.111 1.732 -1.439 1.00 0.00 C ATOM 555 O LYS A 37 -8.599 0.609 -1.311 1.00 0.00 O ATOM 556 CB LYS A 37 -8.859 3.242 -3.288 1.00 0.00 C ATOM 557 CG LYS A 37 -10.098 3.888 -3.882 1.00 0.00 C ATOM 558 CD LYS A 37 -10.180 3.662 -5.383 1.00 0.00 C ATOM 559 CE LYS A 37 -9.396 4.716 -6.149 1.00 0.00 C ATOM 560 NZ LYS A 37 -10.211 5.935 -6.408 1.00 0.00 N ATOM 0 H LYS A 37 -8.476 4.947 -1.544 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.024 2.678 -1.570 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.006 3.903 -3.440 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.647 2.319 -3.827 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.988 3.480 -3.403 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.087 4.958 -3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.793 2.672 -5.625 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.223 3.682 -5.699 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.505 4.988 -5.583 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.056 4.298 -7.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.641 6.629 -6.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.048 5.680 -6.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.514 6.349 -5.503 1.00 0.00 H new ATOM 574 N VAL A 38 -6.815 1.980 -1.279 1.00 0.00 N ATOM 575 CA VAL A 38 -5.871 0.923 -0.935 1.00 0.00 C ATOM 576 C VAL A 38 -6.240 0.267 0.391 1.00 0.00 C ATOM 577 O VAL A 38 -6.187 -0.955 0.528 1.00 0.00 O ATOM 578 CB VAL A 38 -4.432 1.463 -0.846 1.00 0.00 C ATOM 579 CG1 VAL A 38 -3.454 0.333 -0.559 1.00 0.00 C ATOM 580 CG2 VAL A 38 -4.056 2.191 -2.128 1.00 0.00 C ATOM 0 H VAL A 38 -6.395 2.904 -1.382 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.923 0.180 -1.731 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.380 2.175 -0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.442 0.734 -0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.713 -0.141 0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.506 -0.405 -1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.036 2.566 -2.048 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.124 1.503 -2.971 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.738 3.026 -2.286 1.00 0.00 H new ATOM 590 N LYS A 39 -6.614 1.088 1.366 1.00 0.00 N ATOM 591 CA LYS A 39 -6.994 0.590 2.683 1.00 0.00 C ATOM 592 C LYS A 39 -8.310 -0.179 2.615 1.00 0.00 C ATOM 593 O LYS A 39 -8.454 -1.238 3.224 1.00 0.00 O ATOM 594 CB LYS A 39 -7.120 1.750 3.673 1.00 0.00 C ATOM 595 CG LYS A 39 -5.801 2.445 3.966 1.00 0.00 C ATOM 596 CD LYS A 39 -6.010 3.730 4.750 1.00 0.00 C ATOM 597 CE LYS A 39 -4.723 4.191 5.416 1.00 0.00 C ATOM 598 NZ LYS A 39 -4.930 5.422 6.228 1.00 0.00 N ATOM 0 H LYS A 39 -6.662 2.102 1.269 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.213 -0.089 3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.826 2.480 3.277 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.539 1.376 4.607 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.153 1.775 4.531 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.290 2.668 3.029 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.375 4.510 4.082 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.778 3.574 5.508 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.339 3.395 6.054 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.967 4.381 4.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.009 5.791 6.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.414 6.140 5.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.512 5.196 7.060 1.00 0.00 H new ATOM 612 N GLY A 40 -9.268 0.362 1.868 1.00 0.00 N ATOM 613 CA GLY A 40 -10.559 -0.288 1.733 1.00 0.00 C ATOM 614 C GLY A 40 -10.458 -1.647 1.071 1.00 0.00 C ATOM 615 O GLY A 40 -11.318 -2.507 1.267 1.00 0.00 O ATOM 0 H GLY A 40 -9.173 1.238 1.354 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.010 -0.400 2.719 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.223 0.349 1.149 1.00 0.00 H new ATOM 619 N LEU A 41 -9.406 -1.843 0.284 1.00 0.00 N ATOM 620 CA LEU A 41 -9.195 -3.108 -0.411 1.00 0.00 C ATOM 621 C LEU A 41 -8.904 -4.232 0.578 1.00 0.00 C ATOM 622 O LEU A 41 -9.611 -5.240 0.615 1.00 0.00 O ATOM 623 CB LEU A 41 -8.042 -2.979 -1.408 1.00 0.00 C ATOM 624 CG LEU A 41 -7.446 -4.292 -1.918 1.00 0.00 C ATOM 625 CD1 LEU A 41 -8.359 -4.925 -2.957 1.00 0.00 C ATOM 626 CD2 LEU A 41 -6.058 -4.058 -2.496 1.00 0.00 C ATOM 0 H LEU A 41 -8.686 -1.142 0.111 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.109 -3.353 -0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.392 -2.405 -2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.246 -2.400 -0.940 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.356 -4.979 -1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.918 -5.858 -3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.332 -5.129 -2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.481 -4.242 -3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.649 -5.003 -2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.123 -3.353 -3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.406 -3.650 -1.723 1.00 0.00 H new ATOM 638 N LEU A 42 -7.861 -4.051 1.381 1.00 0.00 N ATOM 639 CA LEU A 42 -7.477 -5.048 2.374 1.00 0.00 C ATOM 640 C LEU A 42 -8.438 -5.035 3.558 1.00 0.00 C ATOM 641 O LEU A 42 -8.546 -6.016 4.294 1.00 0.00 O ATOM 642 CB LEU A 42 -6.049 -4.792 2.858 1.00 0.00 C ATOM 643 CG LEU A 42 -4.962 -4.812 1.782 1.00 0.00 C ATOM 644 CD1 LEU A 42 -3.791 -3.932 2.190 1.00 0.00 C ATOM 645 CD2 LEU A 42 -4.496 -6.237 1.523 1.00 0.00 C ATOM 0 H LEU A 42 -7.266 -3.223 1.364 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.523 -6.030 1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.023 -3.822 3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.802 -5.541 3.610 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.383 -4.415 0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.028 -3.959 1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.136 -2.907 2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.369 -4.299 3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.723 -6.233 0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.092 -6.660 2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.339 -6.840 1.186 1.00 0.00 H new ATOM 657 N SER A 43 -9.136 -3.918 3.735 1.00 0.00 N ATOM 658 CA SER A 43 -10.087 -3.776 4.831 1.00 0.00 C ATOM 659 C SER A 43 -11.038 -4.968 4.882 1.00 0.00 C ATOM 660 O SER A 43 -11.378 -5.459 5.959 1.00 0.00 O ATOM 661 CB SER A 43 -10.883 -2.479 4.679 1.00 0.00 C ATOM 662 OG SER A 43 -12.141 -2.574 5.325 1.00 0.00 O ATOM 0 H SER A 43 -9.061 -3.098 3.133 1.00 0.00 H new ATOM 0 HA SER A 43 -9.526 -3.741 5.765 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.316 -1.649 5.101 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.029 -2.260 3.621 1.00 0.00 H new ATOM 0 HG SER A 43 -12.006 -2.680 6.290 1.00 0.00 H new ATOM 668 N ARG A 44 -11.465 -5.427 3.710 1.00 0.00 N ATOM 669 CA ARG A 44 -12.378 -6.560 3.620 1.00 0.00 C ATOM 670 C ARG A 44 -11.626 -7.878 3.777 1.00 0.00 C ATOM 671 O ARG A 44 -12.220 -8.911 4.090 1.00 0.00 O ATOM 672 CB ARG A 44 -13.120 -6.539 2.282 1.00 0.00 C ATOM 673 CG ARG A 44 -14.100 -5.385 2.147 1.00 0.00 C ATOM 674 CD ARG A 44 -15.311 -5.575 3.046 1.00 0.00 C ATOM 675 NE ARG A 44 -16.192 -4.410 3.031 1.00 0.00 N ATOM 676 CZ ARG A 44 -17.378 -4.377 3.629 1.00 0.00 C ATOM 677 NH1 ARG A 44 -17.822 -5.440 4.286 1.00 0.00 N ATOM 678 NH2 ARG A 44 -18.121 -3.280 3.571 1.00 0.00 N ATOM 0 H ARG A 44 -11.193 -5.032 2.810 1.00 0.00 H new ATOM 0 HA ARG A 44 -13.102 -6.477 4.430 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.392 -6.482 1.473 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.659 -7.479 2.160 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.600 -4.450 2.401 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -14.425 -5.301 1.110 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.868 -6.455 2.723 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.979 -5.765 4.067 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.879 -3.576 2.534 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -17.253 -6.285 4.333 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -18.733 -5.413 4.744 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -17.782 -2.461 3.067 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -19.031 -3.256 4.030 1.00 0.00 H new ATOM 692 N LEU A 45 -10.317 -7.836 3.556 1.00 0.00 N ATOM 693 CA LEU A 45 -9.483 -9.028 3.672 1.00 0.00 C ATOM 694 C LEU A 45 -9.246 -9.386 5.136 1.00 0.00 C ATOM 695 O LEU A 45 -9.659 -10.450 5.600 1.00 0.00 O ATOM 696 CB LEU A 45 -8.144 -8.807 2.966 1.00 0.00 C ATOM 697 CG LEU A 45 -8.113 -9.125 1.471 1.00 0.00 C ATOM 698 CD1 LEU A 45 -9.138 -8.284 0.725 1.00 0.00 C ATOM 699 CD2 LEU A 45 -6.719 -8.896 0.905 1.00 0.00 C ATOM 0 H LEU A 45 -9.810 -6.990 3.296 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.007 -9.856 3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.852 -7.766 3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.389 -9.417 3.463 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.369 -10.176 1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.101 -8.524 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.135 -8.498 1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.913 -7.227 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.716 -9.127 -0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.434 -7.854 1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.007 -9.542 1.419 1.00 0.00 H new ATOM 711 N LEU A 46 -8.582 -8.491 5.858 1.00 0.00 N ATOM 712 CA LEU A 46 -8.292 -8.712 7.271 1.00 0.00 C ATOM 713 C LEU A 46 -9.471 -8.288 8.142 1.00 0.00 C ATOM 714 O LEU A 46 -9.359 -8.218 9.366 1.00 0.00 O ATOM 715 CB LEU A 46 -7.037 -7.940 7.681 1.00 0.00 C ATOM 716 CG LEU A 46 -5.762 -8.269 6.903 1.00 0.00 C ATOM 717 CD1 LEU A 46 -4.813 -7.081 6.906 1.00 0.00 C ATOM 718 CD2 LEU A 46 -5.083 -9.498 7.489 1.00 0.00 C ATOM 0 H LEU A 46 -8.234 -7.606 5.489 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.120 -9.778 7.419 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.239 -6.874 7.574 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.851 -8.124 8.739 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.035 -8.486 5.870 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.912 -7.334 6.348 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.300 -6.225 6.440 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.546 -6.831 7.933 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.178 -9.718 6.923 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.823 -9.308 8.530 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.761 -10.350 7.434 1.00 0.00 H new ATOM 730 N LYS A 47 -10.601 -8.007 7.502 1.00 0.00 N ATOM 731 CA LYS A 47 -11.803 -7.593 8.216 1.00 0.00 C ATOM 732 C LYS A 47 -11.499 -6.443 9.171 1.00 0.00 C ATOM 733 O LYS A 47 -11.940 -6.444 10.321 1.00 0.00 O ATOM 734 CB LYS A 47 -12.391 -8.773 8.993 1.00 0.00 C ATOM 735 CG LYS A 47 -12.245 -10.105 8.278 1.00 0.00 C ATOM 736 CD LYS A 47 -12.972 -10.105 6.944 1.00 0.00 C ATOM 737 CE LYS A 47 -14.474 -10.262 7.128 1.00 0.00 C ATOM 738 NZ LYS A 47 -14.835 -11.626 7.602 1.00 0.00 N ATOM 0 H LYS A 47 -10.710 -8.059 6.489 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.532 -7.250 7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.902 -8.837 9.965 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.448 -8.584 9.179 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.188 -10.319 8.117 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.639 -10.902 8.908 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.764 -9.175 6.415 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.594 -10.916 6.322 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.831 -9.522 7.844 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.979 -10.061 6.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.853 -11.785 7.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.295 -12.334 7.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.610 -11.713 8.614 1.00 0.00 H new ATOM 752 N VAL A 48 -10.744 -5.462 8.687 1.00 0.00 N ATOM 753 CA VAL A 48 -10.384 -4.304 9.497 1.00 0.00 C ATOM 754 C VAL A 48 -10.920 -3.015 8.883 1.00 0.00 C ATOM 755 O VAL A 48 -10.875 -2.811 7.670 1.00 0.00 O ATOM 756 CB VAL A 48 -8.857 -4.186 9.659 1.00 0.00 C ATOM 757 CG1 VAL A 48 -8.499 -2.944 10.462 1.00 0.00 C ATOM 758 CG2 VAL A 48 -8.293 -5.436 10.317 1.00 0.00 C ATOM 0 H VAL A 48 -10.370 -5.446 7.738 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.836 -4.451 10.478 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.411 -4.091 8.669 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.416 -2.878 10.566 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.869 -2.058 9.946 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.955 -3.005 11.450 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.213 -5.335 10.424 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.744 -5.564 11.301 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.517 -6.305 9.699 1.00 0.00 H new ATOM 768 N PRO A 49 -11.439 -2.123 9.740 1.00 0.00 N ATOM 769 CA PRO A 49 -11.993 -0.838 9.305 1.00 0.00 C ATOM 770 C PRO A 49 -10.915 0.120 8.808 1.00 0.00 C ATOM 771 O PRO A 49 -9.924 0.365 9.495 1.00 0.00 O ATOM 772 CB PRO A 49 -12.653 -0.289 10.572 1.00 0.00 C ATOM 773 CG PRO A 49 -11.916 -0.935 11.693 1.00 0.00 C ATOM 774 CD PRO A 49 -11.524 -2.300 11.199 1.00 0.00 C ATOM 0 HA PRO A 49 -12.679 -0.953 8.466 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.575 0.797 10.620 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.715 -0.534 10.603 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -11.037 -0.353 11.969 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -12.543 -1.007 12.582 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.572 -2.622 11.621 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.264 -3.053 11.470 1.00 0.00 H new ATOM 782 N VAL A 50 -11.115 0.658 7.609 1.00 0.00 N ATOM 783 CA VAL A 50 -10.161 1.590 7.021 1.00 0.00 C ATOM 784 C VAL A 50 -9.697 2.621 8.044 1.00 0.00 C ATOM 785 O VAL A 50 -8.614 3.192 7.918 1.00 0.00 O ATOM 786 CB VAL A 50 -10.766 2.323 5.809 1.00 0.00 C ATOM 787 CG1 VAL A 50 -9.947 3.559 5.468 1.00 0.00 C ATOM 788 CG2 VAL A 50 -10.860 1.388 4.613 1.00 0.00 C ATOM 0 H VAL A 50 -11.929 0.464 7.026 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.306 1.000 6.690 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.774 2.646 6.068 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.390 4.063 4.609 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.938 4.236 6.322 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.925 3.264 5.228 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.290 1.923 3.766 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.864 1.032 4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.494 0.538 4.865 1.00 0.00 H new ATOM 798 N SER A 51 -10.523 2.853 9.059 1.00 0.00 N ATOM 799 CA SER A 51 -10.199 3.817 10.104 1.00 0.00 C ATOM 800 C SER A 51 -9.062 3.304 10.983 1.00 0.00 C ATOM 801 O SER A 51 -8.149 4.051 11.331 1.00 0.00 O ATOM 802 CB SER A 51 -11.432 4.105 10.962 1.00 0.00 C ATOM 803 OG SER A 51 -12.183 5.183 10.431 1.00 0.00 O ATOM 0 H SER A 51 -11.422 2.386 9.180 1.00 0.00 H new ATOM 0 HA SER A 51 -9.876 4.741 9.624 1.00 0.00 H new ATOM 0 HB2 SER A 51 -12.057 3.214 11.016 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.123 4.340 11.981 1.00 0.00 H new ATOM 0 HG SER A 51 -12.967 5.346 10.997 1.00 0.00 H new ATOM 809 N GLU A 52 -9.128 2.024 11.337 1.00 0.00 N ATOM 810 CA GLU A 52 -8.105 1.411 12.176 1.00 0.00 C ATOM 811 C GLU A 52 -6.919 0.945 11.335 1.00 0.00 C ATOM 812 O GLU A 52 -5.921 0.457 11.867 1.00 0.00 O ATOM 813 CB GLU A 52 -8.690 0.229 12.951 1.00 0.00 C ATOM 814 CG GLU A 52 -9.837 0.613 13.871 1.00 0.00 C ATOM 815 CD GLU A 52 -10.431 -0.582 14.592 1.00 0.00 C ATOM 816 OE1 GLU A 52 -10.103 -1.726 14.214 1.00 0.00 O ATOM 817 OE2 GLU A 52 -11.223 -0.373 15.534 1.00 0.00 O ATOM 0 H GLU A 52 -9.878 1.392 11.056 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.754 2.162 12.884 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.039 -0.522 12.243 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.900 -0.234 13.543 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.482 1.336 14.605 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.616 1.105 13.289 1.00 0.00 H new ATOM 824 N LEU A 53 -7.037 1.099 10.021 1.00 0.00 N ATOM 825 CA LEU A 53 -5.975 0.694 9.106 1.00 0.00 C ATOM 826 C LEU A 53 -4.958 1.816 8.921 1.00 0.00 C ATOM 827 O LEU A 53 -5.320 2.952 8.612 1.00 0.00 O ATOM 828 CB LEU A 53 -6.567 0.298 7.752 1.00 0.00 C ATOM 829 CG LEU A 53 -7.038 -1.150 7.623 1.00 0.00 C ATOM 830 CD1 LEU A 53 -7.804 -1.349 6.324 1.00 0.00 C ATOM 831 CD2 LEU A 53 -5.855 -2.105 7.698 1.00 0.00 C ATOM 0 H LEU A 53 -7.856 1.501 9.565 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.464 -0.166 9.538 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.412 0.954 7.542 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.819 0.485 6.982 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.709 -1.368 8.454 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.131 -2.386 6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.674 -0.692 6.310 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.157 -1.112 5.480 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.210 -3.131 7.604 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.159 -1.886 6.888 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.348 -1.982 8.655 1.00 0.00 H new ATOM 843 N LEU A 54 -3.684 1.489 9.111 1.00 0.00 N ATOM 844 CA LEU A 54 -2.613 2.469 8.963 1.00 0.00 C ATOM 845 C LEU A 54 -1.552 1.971 7.987 1.00 0.00 C ATOM 846 O LEU A 54 -0.733 1.116 8.327 1.00 0.00 O ATOM 847 CB LEU A 54 -1.976 2.765 10.321 1.00 0.00 C ATOM 848 CG LEU A 54 -2.936 3.168 11.440 1.00 0.00 C ATOM 849 CD1 LEU A 54 -2.363 2.792 12.797 1.00 0.00 C ATOM 850 CD2 LEU A 54 -3.231 4.660 11.378 1.00 0.00 C ATOM 0 H LEU A 54 -3.368 0.554 9.368 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.045 3.387 8.564 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.426 1.880 10.642 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.246 3.564 10.191 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.872 2.627 11.302 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.061 3.087 13.581 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.204 1.714 12.839 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.413 3.305 12.945 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.916 4.929 12.182 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.302 5.219 11.490 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.686 4.901 10.417 1.00 0.00 H new ATOM 862 N LEU A 55 -1.569 2.513 6.774 1.00 0.00 N ATOM 863 CA LEU A 55 -0.606 2.126 5.749 1.00 0.00 C ATOM 864 C LEU A 55 0.670 2.955 5.860 1.00 0.00 C ATOM 865 O LEU A 55 0.619 4.167 6.069 1.00 0.00 O ATOM 866 CB LEU A 55 -1.218 2.295 4.357 1.00 0.00 C ATOM 867 CG LEU A 55 -1.875 1.051 3.758 1.00 0.00 C ATOM 868 CD1 LEU A 55 -2.746 0.356 4.793 1.00 0.00 C ATOM 869 CD2 LEU A 55 -2.694 1.421 2.530 1.00 0.00 C ATOM 0 H LEU A 55 -2.239 3.222 6.476 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.351 1.077 5.902 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.964 3.089 4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.436 2.632 3.677 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.090 0.360 3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.205 -0.527 4.348 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.133 0.057 5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.525 1.039 5.131 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.155 0.524 2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.471 2.131 2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.043 1.873 1.781 1.00 0.00 H new ATOM 881 N SER A 56 1.813 2.292 5.717 1.00 0.00 N ATOM 882 CA SER A 56 3.103 2.967 5.803 1.00 0.00 C ATOM 883 C SER A 56 4.109 2.341 4.842 1.00 0.00 C ATOM 884 O SER A 56 4.411 1.151 4.929 1.00 0.00 O ATOM 885 CB SER A 56 3.641 2.904 7.234 1.00 0.00 C ATOM 886 OG SER A 56 3.382 1.641 7.821 1.00 0.00 O ATOM 0 H SER A 56 1.872 1.289 5.541 1.00 0.00 H new ATOM 0 HA SER A 56 2.959 4.010 5.522 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.714 3.094 7.231 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.180 3.689 7.834 1.00 0.00 H new ATOM 0 HG SER A 56 4.140 1.380 8.384 1.00 0.00 H new ATOM 892 N TYR A 57 4.623 3.152 3.924 1.00 0.00 N ATOM 893 CA TYR A 57 5.593 2.679 2.943 1.00 0.00 C ATOM 894 C TYR A 57 7.013 3.056 3.356 1.00 0.00 C ATOM 895 O TYR A 57 7.242 4.121 3.927 1.00 0.00 O ATOM 896 CB TYR A 57 5.280 3.260 1.564 1.00 0.00 C ATOM 897 CG TYR A 57 5.954 4.587 1.298 1.00 0.00 C ATOM 898 CD1 TYR A 57 5.487 5.756 1.888 1.00 0.00 C ATOM 899 CD2 TYR A 57 7.056 4.673 0.457 1.00 0.00 C ATOM 900 CE1 TYR A 57 6.099 6.971 1.648 1.00 0.00 C ATOM 901 CE2 TYR A 57 7.675 5.884 0.212 1.00 0.00 C ATOM 902 CZ TYR A 57 7.193 7.030 0.810 1.00 0.00 C ATOM 903 OH TYR A 57 7.806 8.238 0.568 1.00 0.00 O ATOM 0 H TYR A 57 4.384 4.140 3.839 1.00 0.00 H new ATOM 0 HA TYR A 57 5.524 1.592 2.896 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.588 2.546 0.800 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.201 3.384 1.468 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.631 5.714 2.545 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.436 3.778 -0.014 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.723 7.870 2.114 1.00 0.00 H new ATOM 0 HE2 TYR A 57 8.531 5.933 -0.444 1.00 0.00 H new ATOM 0 HH TYR A 57 7.127 8.914 0.363 1.00 0.00 H new ATOM 913 N GLU A 58 7.962 2.173 3.060 1.00 0.00 N ATOM 914 CA GLU A 58 9.360 2.413 3.400 1.00 0.00 C ATOM 915 C GLU A 58 10.144 2.884 2.178 1.00 0.00 C ATOM 916 O GLU A 58 10.308 2.143 1.209 1.00 0.00 O ATOM 917 CB GLU A 58 9.995 1.141 3.967 1.00 0.00 C ATOM 918 CG GLU A 58 11.146 1.410 4.922 1.00 0.00 C ATOM 919 CD GLU A 58 11.439 0.231 5.829 1.00 0.00 C ATOM 920 OE1 GLU A 58 11.674 -0.877 5.304 1.00 0.00 O ATOM 921 OE2 GLU A 58 11.432 0.416 7.064 1.00 0.00 O ATOM 0 H GLU A 58 7.789 1.286 2.586 1.00 0.00 H new ATOM 0 HA GLU A 58 9.394 3.197 4.157 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.230 0.563 4.486 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.354 0.525 3.142 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.040 1.653 4.348 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.911 2.283 5.531 1.00 0.00 H new ATOM 928 N SER A 59 10.624 4.122 2.232 1.00 0.00 N ATOM 929 CA SER A 59 11.387 4.695 1.130 1.00 0.00 C ATOM 930 C SER A 59 12.530 3.770 0.722 1.00 0.00 C ATOM 931 O SER A 59 13.070 3.032 1.545 1.00 0.00 O ATOM 932 CB SER A 59 11.941 6.066 1.522 1.00 0.00 C ATOM 933 OG SER A 59 12.223 6.123 2.910 1.00 0.00 O ATOM 0 H SER A 59 10.498 4.748 3.028 1.00 0.00 H new ATOM 0 HA SER A 59 10.716 4.813 0.279 1.00 0.00 H new ATOM 0 HB2 SER A 59 12.849 6.271 0.954 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.220 6.841 1.262 1.00 0.00 H new ATOM 0 HG SER A 59 11.958 6.999 3.262 1.00 0.00 H new ATOM 939 N SER A 60 12.893 3.816 -0.556 1.00 0.00 N ATOM 940 CA SER A 60 13.969 2.980 -1.076 1.00 0.00 C ATOM 941 C SER A 60 15.327 3.633 -0.838 1.00 0.00 C ATOM 942 O SER A 60 16.368 3.074 -1.186 1.00 0.00 O ATOM 943 CB SER A 60 13.768 2.725 -2.571 1.00 0.00 C ATOM 944 OG SER A 60 13.521 3.935 -3.267 1.00 0.00 O ATOM 0 H SER A 60 12.458 4.423 -1.250 1.00 0.00 H new ATOM 0 HA SER A 60 13.945 2.028 -0.546 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.653 2.240 -2.982 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.932 2.041 -2.717 1.00 0.00 H new ATOM 0 HG SER A 60 13.398 3.745 -4.220 1.00 0.00 H new ATOM 950 N LYS A 61 15.309 4.821 -0.243 1.00 0.00 N ATOM 951 CA LYS A 61 16.538 5.552 0.043 1.00 0.00 C ATOM 952 C LYS A 61 16.733 5.719 1.547 1.00 0.00 C ATOM 953 O LYS A 61 17.860 5.848 2.025 1.00 0.00 O ATOM 954 CB LYS A 61 16.509 6.924 -0.634 1.00 0.00 C ATOM 955 CG LYS A 61 15.320 7.778 -0.227 1.00 0.00 C ATOM 956 CD LYS A 61 14.112 7.508 -1.108 1.00 0.00 C ATOM 957 CE LYS A 61 14.114 8.393 -2.344 1.00 0.00 C ATOM 958 NZ LYS A 61 13.109 7.946 -3.348 1.00 0.00 N ATOM 0 H LYS A 61 14.457 5.298 0.051 1.00 0.00 H new ATOM 0 HA LYS A 61 17.375 4.976 -0.353 1.00 0.00 H new ATOM 0 HB2 LYS A 61 17.428 7.458 -0.394 1.00 0.00 H new ATOM 0 HB3 LYS A 61 16.494 6.786 -1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 61 15.065 7.576 0.813 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.589 8.832 -0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 61 14.107 6.461 -1.409 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.199 7.680 -0.538 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.904 9.423 -2.054 1.00 0.00 H new ATOM 0 HE3 LYS A 61 15.106 8.385 -2.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.142 8.575 -4.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.324 6.972 -3.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.159 7.978 -2.926 1.00 0.00 H new ATOM 972 N MET A 62 15.629 5.715 2.287 1.00 0.00 N ATOM 973 CA MET A 62 15.680 5.863 3.736 1.00 0.00 C ATOM 974 C MET A 62 15.173 4.603 4.430 1.00 0.00 C ATOM 975 O MET A 62 14.039 4.540 4.905 1.00 0.00 O ATOM 976 CB MET A 62 14.851 7.071 4.177 1.00 0.00 C ATOM 977 CG MET A 62 15.366 7.732 5.444 1.00 0.00 C ATOM 978 SD MET A 62 16.823 8.754 5.152 1.00 0.00 S ATOM 979 CE MET A 62 16.081 10.186 4.373 1.00 0.00 C ATOM 0 H MET A 62 14.688 5.611 1.907 1.00 0.00 H new ATOM 0 HA MET A 62 16.720 6.021 4.023 1.00 0.00 H new ATOM 0 HB2 MET A 62 14.839 7.806 3.372 1.00 0.00 H new ATOM 0 HB3 MET A 62 13.820 6.755 4.335 1.00 0.00 H new ATOM 0 HG2 MET A 62 14.576 8.347 5.875 1.00 0.00 H new ATOM 0 HG3 MET A 62 15.608 6.963 6.178 1.00 0.00 H new ATOM 0 HE1 MET A 62 16.794 11.010 4.373 1.00 0.00 H new ATOM 0 HE2 MET A 62 15.809 9.941 3.346 1.00 0.00 H new ATOM 0 HE3 MET A 62 15.188 10.479 4.925 1.00 0.00 H new ATOM 989 N PRO A 63 16.031 3.574 4.491 1.00 0.00 N ATOM 990 CA PRO A 63 15.692 2.296 5.125 1.00 0.00 C ATOM 991 C PRO A 63 15.573 2.415 6.641 1.00 0.00 C ATOM 992 O PRO A 63 16.407 3.044 7.291 1.00 0.00 O ATOM 993 CB PRO A 63 16.867 1.390 4.750 1.00 0.00 C ATOM 994 CG PRO A 63 18.004 2.323 4.513 1.00 0.00 C ATOM 995 CD PRO A 63 17.399 3.578 3.946 1.00 0.00 C ATOM 0 HA PRO A 63 14.724 1.920 4.792 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.094 0.685 5.549 1.00 0.00 H new ATOM 0 HB3 PRO A 63 16.645 0.802 3.859 1.00 0.00 H new ATOM 0 HG2 PRO A 63 18.537 2.531 5.440 1.00 0.00 H new ATOM 0 HG3 PRO A 63 18.726 1.890 3.820 1.00 0.00 H new ATOM 0 HD2 PRO A 63 17.952 4.465 4.254 1.00 0.00 H new ATOM 0 HD3 PRO A 63 17.397 3.566 2.856 1.00 0.00 H new ATOM 1003 N GLY A 64 14.531 1.805 7.198 1.00 0.00 N ATOM 1004 CA GLY A 64 14.324 1.855 8.634 1.00 0.00 C ATOM 1005 C GLY A 64 13.296 2.894 9.036 1.00 0.00 C ATOM 1006 O GLY A 64 12.716 2.816 10.119 1.00 0.00 O ATOM 0 H GLY A 64 13.827 1.278 6.681 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.002 0.875 8.986 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.271 2.076 9.127 1.00 0.00 H new ATOM 1010 N ARG A 65 13.069 3.869 8.162 1.00 0.00 N ATOM 1011 CA ARG A 65 12.106 4.929 8.432 1.00 0.00 C ATOM 1012 C ARG A 65 10.902 4.820 7.501 1.00 0.00 C ATOM 1013 O ARG A 65 11.031 4.964 6.286 1.00 0.00 O ATOM 1014 CB ARG A 65 12.766 6.300 8.273 1.00 0.00 C ATOM 1015 CG ARG A 65 12.111 7.392 9.103 1.00 0.00 C ATOM 1016 CD ARG A 65 12.502 8.776 8.610 1.00 0.00 C ATOM 1017 NE ARG A 65 13.906 9.076 8.876 1.00 0.00 N ATOM 1018 CZ ARG A 65 14.433 10.290 8.766 1.00 0.00 C ATOM 1019 NH1 ARG A 65 13.675 11.314 8.397 1.00 0.00 N ATOM 1020 NH2 ARG A 65 15.719 10.483 9.025 1.00 0.00 N ATOM 0 H ARG A 65 13.539 3.947 7.260 1.00 0.00 H new ATOM 0 HA ARG A 65 11.760 4.818 9.460 1.00 0.00 H new ATOM 0 HB2 ARG A 65 13.816 6.223 8.554 1.00 0.00 H new ATOM 0 HB3 ARG A 65 12.737 6.588 7.222 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.027 7.282 9.061 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.402 7.281 10.147 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.313 8.846 7.539 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.874 9.524 9.094 1.00 0.00 H new ATOM 0 HE ARG A 65 14.516 8.310 9.162 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.685 11.170 8.197 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.082 12.246 8.313 1.00 0.00 H new ATOM 0 HH21 ARG A 65 16.305 9.698 9.309 1.00 0.00 H new ATOM 0 HH22 ARG A 65 16.122 11.416 8.940 1.00 0.00 H new ATOM 1034 N GLU A 66 9.733 4.566 8.081 1.00 0.00 N ATOM 1035 CA GLU A 66 8.507 4.437 7.303 1.00 0.00 C ATOM 1036 C GLU A 66 7.670 5.710 7.391 1.00 0.00 C ATOM 1037 O GLU A 66 7.640 6.375 8.427 1.00 0.00 O ATOM 1038 CB GLU A 66 7.689 3.240 7.792 1.00 0.00 C ATOM 1039 CG GLU A 66 7.081 3.441 9.171 1.00 0.00 C ATOM 1040 CD GLU A 66 6.669 2.136 9.823 1.00 0.00 C ATOM 1041 OE1 GLU A 66 5.838 1.415 9.232 1.00 0.00 O ATOM 1042 OE2 GLU A 66 7.177 1.836 10.923 1.00 0.00 O ATOM 0 H GLU A 66 9.610 4.446 9.086 1.00 0.00 H new ATOM 0 HA GLU A 66 8.784 4.276 6.261 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.890 3.040 7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.328 2.357 7.811 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.801 3.951 9.811 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.211 4.092 9.089 1.00 0.00 H new ATOM 1049 N ILE A 67 6.992 6.042 6.298 1.00 0.00 N ATOM 1050 CA ILE A 67 6.154 7.234 6.252 1.00 0.00 C ATOM 1051 C ILE A 67 4.682 6.879 6.428 1.00 0.00 C ATOM 1052 O ILE A 67 4.033 6.404 5.497 1.00 0.00 O ATOM 1053 CB ILE A 67 6.332 7.997 4.926 1.00 0.00 C ATOM 1054 CG1 ILE A 67 7.782 8.456 4.766 1.00 0.00 C ATOM 1055 CG2 ILE A 67 5.384 9.186 4.867 1.00 0.00 C ATOM 1056 CD1 ILE A 67 8.678 7.418 4.125 1.00 0.00 C ATOM 0 H ILE A 67 7.006 5.503 5.432 1.00 0.00 H new ATOM 0 HA ILE A 67 6.471 7.874 7.075 1.00 0.00 H new ATOM 0 HB ILE A 67 6.091 7.325 4.103 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.803 9.364 4.163 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.183 8.715 5.746 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.522 9.715 3.924 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.355 8.835 4.939 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.595 9.861 5.696 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.691 7.812 4.043 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.688 6.517 4.738 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.302 7.176 3.131 1.00 0.00 H new ATOM 1068 N GLU A 68 4.161 7.113 7.628 1.00 0.00 N ATOM 1069 CA GLU A 68 2.764 6.818 7.925 1.00 0.00 C ATOM 1070 C GLU A 68 1.834 7.720 7.119 1.00 0.00 C ATOM 1071 O GLU A 68 1.790 8.933 7.328 1.00 0.00 O ATOM 1072 CB GLU A 68 2.490 6.992 9.421 1.00 0.00 C ATOM 1073 CG GLU A 68 2.550 8.437 9.887 1.00 0.00 C ATOM 1074 CD GLU A 68 1.201 9.126 9.826 1.00 0.00 C ATOM 1075 OE1 GLU A 68 0.192 8.486 10.190 1.00 0.00 O ATOM 1076 OE2 GLU A 68 1.153 10.304 9.415 1.00 0.00 O ATOM 0 H GLU A 68 4.685 7.506 8.410 1.00 0.00 H new ATOM 0 HA GLU A 68 2.571 5.783 7.645 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.505 6.586 9.651 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.216 6.407 9.985 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.924 8.470 10.910 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.262 8.985 9.269 1.00 0.00 H new ATOM 1083 N LEU A 69 1.093 7.119 6.194 1.00 0.00 N ATOM 1084 CA LEU A 69 0.163 7.866 5.354 1.00 0.00 C ATOM 1085 C LEU A 69 -1.117 8.193 6.117 1.00 0.00 C ATOM 1086 O LEU A 69 -1.888 7.300 6.466 1.00 0.00 O ATOM 1087 CB LEU A 69 -0.171 7.067 4.093 1.00 0.00 C ATOM 1088 CG LEU A 69 0.991 6.306 3.454 1.00 0.00 C ATOM 1089 CD1 LEU A 69 0.472 5.158 2.602 1.00 0.00 C ATOM 1090 CD2 LEU A 69 1.850 7.246 2.620 1.00 0.00 C ATOM 0 H LEU A 69 1.118 6.117 6.007 1.00 0.00 H new ATOM 0 HA LEU A 69 0.642 8.802 5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.957 6.352 4.337 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.582 7.752 3.351 1.00 0.00 H new ATOM 0 HG LEU A 69 1.610 5.891 4.249 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.313 4.628 2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.100 4.471 3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.169 5.551 1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.672 6.687 2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.243 7.691 1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.251 8.034 3.257 1.00 0.00 H new ATOM 1102 N GLU A 70 -1.337 9.480 6.369 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.525 9.924 7.089 1.00 0.00 C ATOM 1104 C GLU A 70 -3.546 10.531 6.131 1.00 0.00 C ATOM 1105 O GLU A 70 -4.744 10.543 6.410 1.00 0.00 O ATOM 1106 CB GLU A 70 -2.146 10.947 8.162 1.00 0.00 C ATOM 1107 CG GLU A 70 -1.407 12.158 7.615 1.00 0.00 C ATOM 1108 CD GLU A 70 -1.243 13.256 8.647 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -2.172 14.079 8.789 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -0.187 13.294 9.312 1.00 0.00 O ATOM 0 H GLU A 70 -0.709 10.232 6.086 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.974 9.054 7.569 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.051 11.282 8.668 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.523 10.460 8.912 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.424 11.849 7.259 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.948 12.551 6.754 1.00 0.00 H new ATOM 1117 N ASN A 71 -3.062 11.033 5.000 1.00 0.00 N ATOM 1118 CA ASN A 71 -3.932 11.643 4.000 1.00 0.00 C ATOM 1119 C ASN A 71 -4.589 10.577 3.128 1.00 0.00 C ATOM 1120 O ASN A 71 -3.969 10.046 2.206 1.00 0.00 O ATOM 1121 CB ASN A 71 -3.136 12.614 3.125 1.00 0.00 C ATOM 1122 CG ASN A 71 -3.010 13.988 3.754 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -2.108 14.236 4.554 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -3.918 14.888 3.395 1.00 0.00 N ATOM 0 H ASN A 71 -2.072 11.030 4.753 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.715 12.193 4.522 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.141 12.206 2.947 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.622 12.705 2.153 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.885 15.829 3.786 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.648 14.638 2.728 1.00 0.00 H new ATOM 1131 N ASP A 72 -5.846 10.269 3.426 1.00 0.00 N ATOM 1132 CA ASP A 72 -6.589 9.268 2.669 1.00 0.00 C ATOM 1133 C ASP A 72 -7.181 9.875 1.401 1.00 0.00 C ATOM 1134 O ASP A 72 -7.808 9.179 0.601 1.00 0.00 O ATOM 1135 CB ASP A 72 -7.701 8.668 3.530 1.00 0.00 C ATOM 1136 CG ASP A 72 -7.318 8.584 4.995 1.00 0.00 C ATOM 1137 OD1 ASP A 72 -6.269 7.979 5.300 1.00 0.00 O ATOM 1138 OD2 ASP A 72 -8.067 9.124 5.835 1.00 0.00 O ATOM 0 H ASP A 72 -6.372 10.698 4.187 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.896 8.477 2.382 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.602 9.272 3.427 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.943 7.671 3.163 1.00 0.00 H new ATOM 1143 N LEU A 73 -6.980 11.176 1.224 1.00 0.00 N ATOM 1144 CA LEU A 73 -7.495 11.878 0.054 1.00 0.00 C ATOM 1145 C LEU A 73 -6.374 12.188 -0.933 1.00 0.00 C ATOM 1146 O LEU A 73 -6.559 12.959 -1.874 1.00 0.00 O ATOM 1147 CB LEU A 73 -8.190 13.173 0.476 1.00 0.00 C ATOM 1148 CG LEU A 73 -9.604 13.024 1.038 1.00 0.00 C ATOM 1149 CD1 LEU A 73 -10.190 14.385 1.380 1.00 0.00 C ATOM 1150 CD2 LEU A 73 -10.497 12.290 0.048 1.00 0.00 C ATOM 0 H LEU A 73 -6.464 11.766 1.876 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.219 11.228 -0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.572 13.665 1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.232 13.837 -0.387 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.549 12.435 1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.197 14.258 1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.563 14.874 2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.231 15.000 0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.499 12.193 0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.545 12.852 -0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.087 11.299 -0.146 1.00 0.00 H new ATOM 1162 N GLN A 74 -5.213 11.580 -0.711 1.00 0.00 N ATOM 1163 CA GLN A 74 -4.063 11.790 -1.582 1.00 0.00 C ATOM 1164 C GLN A 74 -3.562 10.466 -2.151 1.00 0.00 C ATOM 1165 O GLN A 74 -3.559 9.435 -1.479 1.00 0.00 O ATOM 1166 CB GLN A 74 -2.938 12.488 -0.817 1.00 0.00 C ATOM 1167 CG GLN A 74 -3.309 13.877 -0.323 1.00 0.00 C ATOM 1168 CD GLN A 74 -3.066 14.951 -1.365 1.00 0.00 C ATOM 1169 OE1 GLN A 74 -2.538 14.678 -2.444 1.00 0.00 O ATOM 1170 NE2 GLN A 74 -3.452 16.181 -1.049 1.00 0.00 N ATOM 0 H GLN A 74 -5.044 10.939 0.064 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.378 12.425 -2.410 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.653 11.872 0.036 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.063 12.563 -1.462 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.360 13.887 -0.035 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.731 14.107 0.572 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.885 16.363 -0.144 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.315 16.944 -1.711 1.00 0.00 H new ATOM 1179 N PRO A 75 -3.128 10.493 -3.420 1.00 0.00 N ATOM 1180 CA PRO A 75 -2.616 9.304 -4.107 1.00 0.00 C ATOM 1181 C PRO A 75 -1.270 8.849 -3.554 1.00 0.00 C ATOM 1182 O PRO A 75 -0.681 9.513 -2.700 1.00 0.00 O ATOM 1183 CB PRO A 75 -2.468 9.769 -5.558 1.00 0.00 C ATOM 1184 CG PRO A 75 -2.290 11.245 -5.466 1.00 0.00 C ATOM 1185 CD PRO A 75 -3.103 11.688 -4.281 1.00 0.00 C ATOM 0 HA PRO A 75 -3.278 8.446 -3.985 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.612 9.296 -6.040 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.348 9.512 -6.148 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.239 11.504 -5.337 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.630 11.736 -6.378 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.646 12.539 -3.775 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.107 11.994 -4.574 1.00 0.00 H new ATOM 1193 N LEU A 76 -0.788 7.712 -4.044 1.00 0.00 N ATOM 1194 CA LEU A 76 0.490 7.168 -3.599 1.00 0.00 C ATOM 1195 C LEU A 76 1.652 7.993 -4.141 1.00 0.00 C ATOM 1196 O LEU A 76 2.678 8.148 -3.479 1.00 0.00 O ATOM 1197 CB LEU A 76 0.630 5.712 -4.047 1.00 0.00 C ATOM 1198 CG LEU A 76 -0.262 4.699 -3.327 1.00 0.00 C ATOM 1199 CD1 LEU A 76 0.077 4.648 -1.845 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -1.730 5.044 -3.528 1.00 0.00 C ATOM 0 H LEU A 76 -1.263 7.149 -4.750 1.00 0.00 H new ATOM 0 HA LEU A 76 0.516 7.211 -2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.417 5.659 -5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.669 5.410 -3.914 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.079 3.713 -3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.567 3.922 -1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.119 4.353 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.077 5.632 -1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.350 4.313 -3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.928 6.038 -3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.965 5.029 -4.592 1.00 0.00 H new ATOM 1212 N GLN A 77 1.483 8.521 -5.349 1.00 0.00 N ATOM 1213 CA GLN A 77 2.518 9.332 -5.980 1.00 0.00 C ATOM 1214 C GLN A 77 2.786 10.598 -5.172 1.00 0.00 C ATOM 1215 O GLN A 77 3.870 11.176 -5.246 1.00 0.00 O ATOM 1216 CB GLN A 77 2.108 9.701 -7.406 1.00 0.00 C ATOM 1217 CG GLN A 77 2.977 10.782 -8.029 1.00 0.00 C ATOM 1218 CD GLN A 77 2.492 11.202 -9.402 1.00 0.00 C ATOM 1219 OE1 GLN A 77 3.113 10.882 -10.417 1.00 0.00 O ATOM 1220 NE2 GLN A 77 1.377 11.921 -9.442 1.00 0.00 N ATOM 0 H GLN A 77 0.640 8.402 -5.910 1.00 0.00 H new ATOM 0 HA GLN A 77 3.435 8.743 -6.014 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.150 8.808 -8.030 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.071 10.038 -7.401 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.995 11.652 -7.372 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.002 10.420 -8.105 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.895 12.163 -8.576 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.002 12.231 -10.338 1.00 0.00 H new ATOM 1229 N PHE A 78 1.791 11.023 -4.401 1.00 0.00 N ATOM 1230 CA PHE A 78 1.918 12.221 -3.579 1.00 0.00 C ATOM 1231 C PHE A 78 2.942 12.012 -2.468 1.00 0.00 C ATOM 1232 O PHE A 78 3.424 12.971 -1.864 1.00 0.00 O ATOM 1233 CB PHE A 78 0.563 12.598 -2.976 1.00 0.00 C ATOM 1234 CG PHE A 78 0.644 13.713 -1.972 1.00 0.00 C ATOM 1235 CD1 PHE A 78 0.887 15.014 -2.381 1.00 0.00 C ATOM 1236 CD2 PHE A 78 0.475 13.459 -0.621 1.00 0.00 C ATOM 1237 CE1 PHE A 78 0.962 16.041 -1.459 1.00 0.00 C ATOM 1238 CE2 PHE A 78 0.548 14.483 0.306 1.00 0.00 C ATOM 1239 CZ PHE A 78 0.791 15.776 -0.115 1.00 0.00 C ATOM 0 H PHE A 78 0.887 10.556 -4.328 1.00 0.00 H new ATOM 0 HA PHE A 78 2.262 13.035 -4.217 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.114 12.891 -3.778 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.130 11.720 -2.498 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.019 15.228 -3.431 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.284 12.450 -0.287 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.154 17.051 -1.790 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.415 14.272 1.357 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.847 16.578 0.606 1.00 0.00 H new ATOM 1249 N TYR A 79 3.270 10.753 -2.203 1.00 0.00 N ATOM 1250 CA TYR A 79 4.234 10.416 -1.162 1.00 0.00 C ATOM 1251 C TYR A 79 5.567 9.991 -1.771 1.00 0.00 C ATOM 1252 O TYR A 79 6.372 9.321 -1.124 1.00 0.00 O ATOM 1253 CB TYR A 79 3.687 9.299 -0.272 1.00 0.00 C ATOM 1254 CG TYR A 79 2.643 9.768 0.715 1.00 0.00 C ATOM 1255 CD1 TYR A 79 1.306 9.863 0.350 1.00 0.00 C ATOM 1256 CD2 TYR A 79 2.993 10.117 2.014 1.00 0.00 C ATOM 1257 CE1 TYR A 79 0.348 10.291 1.248 1.00 0.00 C ATOM 1258 CE2 TYR A 79 2.042 10.545 2.919 1.00 0.00 C ATOM 1259 CZ TYR A 79 0.721 10.631 2.532 1.00 0.00 C ATOM 1260 OH TYR A 79 -0.229 11.058 3.431 1.00 0.00 O ATOM 0 H TYR A 79 2.882 9.948 -2.695 1.00 0.00 H new ATOM 0 HA TYR A 79 4.400 11.306 -0.555 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.255 8.522 -0.903 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.513 8.844 0.274 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.010 9.597 -0.654 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.026 10.052 2.321 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.687 10.359 0.947 1.00 0.00 H new ATOM 0 HE2 TYR A 79 2.331 10.811 3.925 1.00 0.00 H new ATOM 0 HH TYR A 79 0.199 11.256 4.290 1.00 0.00 H new ATOM 1270 N SER A 80 5.792 10.385 -3.020 1.00 0.00 N ATOM 1271 CA SER A 80 7.025 10.042 -3.720 1.00 0.00 C ATOM 1272 C SER A 80 7.202 8.529 -3.799 1.00 0.00 C ATOM 1273 O SER A 80 8.324 8.025 -3.842 1.00 0.00 O ATOM 1274 CB SER A 80 8.228 10.671 -3.014 1.00 0.00 C ATOM 1275 OG SER A 80 9.313 10.840 -3.909 1.00 0.00 O ATOM 0 H SER A 80 5.137 10.942 -3.568 1.00 0.00 H new ATOM 0 HA SER A 80 6.960 10.436 -4.734 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.944 11.636 -2.595 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.535 10.040 -2.180 1.00 0.00 H new ATOM 0 HG SER A 80 9.535 9.979 -4.320 1.00 0.00 H new ATOM 1281 N VAL A 81 6.084 7.809 -3.819 1.00 0.00 N ATOM 1282 CA VAL A 81 6.114 6.354 -3.895 1.00 0.00 C ATOM 1283 C VAL A 81 6.347 5.883 -5.326 1.00 0.00 C ATOM 1284 O VAL A 81 5.656 6.309 -6.250 1.00 0.00 O ATOM 1285 CB VAL A 81 4.803 5.738 -3.371 1.00 0.00 C ATOM 1286 CG1 VAL A 81 4.865 4.219 -3.433 1.00 0.00 C ATOM 1287 CG2 VAL A 81 4.523 6.211 -1.952 1.00 0.00 C ATOM 0 H VAL A 81 5.147 8.210 -3.784 1.00 0.00 H new ATOM 0 HA VAL A 81 6.940 6.021 -3.267 1.00 0.00 H new ATOM 0 HB VAL A 81 3.984 6.071 -4.009 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.930 3.801 -3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.016 3.903 -4.465 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.693 3.863 -2.819 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.593 5.766 -1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.342 5.909 -1.299 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.433 7.297 -1.942 1.00 0.00 H new ATOM 1297 N GLU A 82 7.325 4.999 -5.501 1.00 0.00 N ATOM 1298 CA GLU A 82 7.649 4.471 -6.821 1.00 0.00 C ATOM 1299 C GLU A 82 7.854 2.959 -6.766 1.00 0.00 C ATOM 1300 O GLU A 82 8.154 2.401 -5.712 1.00 0.00 O ATOM 1301 CB GLU A 82 8.906 5.147 -7.371 1.00 0.00 C ATOM 1302 CG GLU A 82 10.126 4.981 -6.481 1.00 0.00 C ATOM 1303 CD GLU A 82 11.421 5.308 -7.199 1.00 0.00 C ATOM 1304 OE1 GLU A 82 11.404 6.191 -8.082 1.00 0.00 O ATOM 1305 OE2 GLU A 82 12.452 4.681 -6.877 1.00 0.00 O ATOM 0 H GLU A 82 7.906 4.634 -4.746 1.00 0.00 H new ATOM 0 HA GLU A 82 6.811 4.684 -7.485 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.127 4.737 -8.356 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.707 6.210 -7.506 1.00 0.00 H new ATOM 0 HG2 GLU A 82 10.025 5.627 -5.609 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.167 3.955 -6.115 1.00 0.00 H new ATOM 1312 N ASN A 83 7.689 2.304 -7.910 1.00 0.00 N ATOM 1313 CA ASN A 83 7.854 0.857 -7.993 1.00 0.00 C ATOM 1314 C ASN A 83 9.082 0.404 -7.208 1.00 0.00 C ATOM 1315 O ASN A 83 10.139 1.031 -7.272 1.00 0.00 O ATOM 1316 CB ASN A 83 7.980 0.420 -9.454 1.00 0.00 C ATOM 1317 CG ASN A 83 8.992 1.249 -10.221 1.00 0.00 C ATOM 1318 OD1 ASN A 83 10.004 1.680 -9.668 1.00 0.00 O ATOM 1319 ND2 ASN A 83 8.722 1.477 -11.501 1.00 0.00 N ATOM 0 H ASN A 83 7.441 2.752 -8.792 1.00 0.00 H new ATOM 0 HA ASN A 83 6.972 0.390 -7.556 1.00 0.00 H new ATOM 0 HB2 ASN A 83 8.271 -0.630 -9.492 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.007 0.499 -9.939 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.366 2.029 -12.067 1.00 0.00 H new ATOM 0 HD22 ASN A 83 7.871 1.100 -11.918 1.00 0.00 H new ATOM 1326 N GLY A 84 8.933 -0.690 -6.467 1.00 0.00 N ATOM 1327 CA GLY A 84 10.037 -1.209 -5.681 1.00 0.00 C ATOM 1328 C GLY A 84 9.828 -1.019 -4.192 1.00 0.00 C ATOM 1329 O GLY A 84 10.081 -1.928 -3.401 1.00 0.00 O ATOM 0 H GLY A 84 8.068 -1.226 -6.397 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.164 -2.270 -5.894 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.959 -0.711 -5.982 1.00 0.00 H new ATOM 1333 N ASP A 85 9.365 0.166 -3.807 1.00 0.00 N ATOM 1334 CA ASP A 85 9.122 0.473 -2.402 1.00 0.00 C ATOM 1335 C ASP A 85 8.391 -0.676 -1.714 1.00 0.00 C ATOM 1336 O ASP A 85 7.928 -1.611 -2.368 1.00 0.00 O ATOM 1337 CB ASP A 85 8.309 1.762 -2.273 1.00 0.00 C ATOM 1338 CG ASP A 85 9.143 3.001 -2.533 1.00 0.00 C ATOM 1339 OD1 ASP A 85 10.070 2.928 -3.367 1.00 0.00 O ATOM 1340 OD2 ASP A 85 8.867 4.044 -1.904 1.00 0.00 O ATOM 0 H ASP A 85 9.151 0.930 -4.448 1.00 0.00 H new ATOM 0 HA ASP A 85 10.086 0.611 -1.913 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.476 1.734 -2.975 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.881 1.819 -1.272 1.00 0.00 H new ATOM 1345 N CYS A 86 8.293 -0.599 -0.391 1.00 0.00 N ATOM 1346 CA CYS A 86 7.620 -1.633 0.387 1.00 0.00 C ATOM 1347 C CYS A 86 6.410 -1.062 1.118 1.00 0.00 C ATOM 1348 O CYS A 86 6.436 0.075 1.591 1.00 0.00 O ATOM 1349 CB CYS A 86 8.590 -2.257 1.390 1.00 0.00 C ATOM 1350 SG CYS A 86 9.775 -3.408 0.654 1.00 0.00 S ATOM 0 H CYS A 86 8.671 0.168 0.165 1.00 0.00 H new ATOM 0 HA CYS A 86 7.274 -2.404 -0.301 1.00 0.00 H new ATOM 0 HB2 CYS A 86 9.138 -1.460 1.893 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.017 -2.782 2.155 1.00 0.00 H new ATOM 0 HG CYS A 86 10.553 -3.881 1.581 1.00 0.00 H new ATOM 1356 N LEU A 87 5.349 -1.857 1.207 1.00 0.00 N ATOM 1357 CA LEU A 87 4.127 -1.430 1.880 1.00 0.00 C ATOM 1358 C LEU A 87 3.986 -2.113 3.237 1.00 0.00 C ATOM 1359 O LEU A 87 4.036 -3.339 3.335 1.00 0.00 O ATOM 1360 CB LEU A 87 2.908 -1.742 1.011 1.00 0.00 C ATOM 1361 CG LEU A 87 2.829 -1.002 -0.325 1.00 0.00 C ATOM 1362 CD1 LEU A 87 1.701 -1.560 -1.179 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.639 0.491 -0.097 1.00 0.00 C ATOM 0 H LEU A 87 5.310 -2.801 0.822 1.00 0.00 H new ATOM 0 HA LEU A 87 4.186 -0.353 2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.894 -2.813 0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.010 -1.513 1.584 1.00 0.00 H new ATOM 0 HG LEU A 87 3.768 -1.152 -0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.660 -1.021 -2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.879 -2.618 -1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.754 -1.441 -0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.585 1.002 -1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.715 0.660 0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.481 0.882 0.475 1.00 0.00 H new ATOM 1375 N LEU A 88 3.808 -1.310 4.280 1.00 0.00 N ATOM 1376 CA LEU A 88 3.657 -1.837 5.633 1.00 0.00 C ATOM 1377 C LEU A 88 2.233 -1.634 6.140 1.00 0.00 C ATOM 1378 O LEU A 88 1.804 -0.506 6.383 1.00 0.00 O ATOM 1379 CB LEU A 88 4.649 -1.158 6.579 1.00 0.00 C ATOM 1380 CG LEU A 88 6.106 -1.129 6.116 1.00 0.00 C ATOM 1381 CD1 LEU A 88 6.834 0.064 6.717 1.00 0.00 C ATOM 1382 CD2 LEU A 88 6.809 -2.427 6.487 1.00 0.00 C ATOM 0 H LEU A 88 3.765 -0.293 4.216 1.00 0.00 H new ATOM 0 HA LEU A 88 3.864 -2.907 5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.320 -0.132 6.742 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.605 -1.664 7.543 1.00 0.00 H new ATOM 0 HG LEU A 88 6.120 -1.028 5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.869 0.068 6.376 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.345 0.985 6.402 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.810 -0.005 7.805 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.845 -2.389 6.150 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.784 -2.558 7.569 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.302 -3.265 6.008 1.00 0.00 H new ATOM 1394 N VAL A 89 1.505 -2.735 6.299 1.00 0.00 N ATOM 1395 CA VAL A 89 0.130 -2.679 6.781 1.00 0.00 C ATOM 1396 C VAL A 89 0.061 -2.955 8.279 1.00 0.00 C ATOM 1397 O VAL A 89 0.563 -3.972 8.757 1.00 0.00 O ATOM 1398 CB VAL A 89 -0.765 -3.692 6.042 1.00 0.00 C ATOM 1399 CG1 VAL A 89 -2.185 -3.644 6.585 1.00 0.00 C ATOM 1400 CG2 VAL A 89 -0.748 -3.424 4.545 1.00 0.00 C ATOM 0 H VAL A 89 1.845 -3.676 6.101 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.234 -1.671 6.583 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.370 -4.693 6.213 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.803 -4.366 6.051 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.177 -3.888 7.647 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.594 -2.643 6.446 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.385 -4.149 4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.118 -2.417 4.351 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.272 -3.514 4.171 1.00 0.00 H new ATOM 1410 N ARG A 90 -0.565 -2.042 9.015 1.00 0.00 N ATOM 1411 CA ARG A 90 -0.699 -2.186 10.459 1.00 0.00 C ATOM 1412 C ARG A 90 -1.997 -1.552 10.950 1.00 0.00 C ATOM 1413 O ARG A 90 -2.539 -0.650 10.312 1.00 0.00 O ATOM 1414 CB ARG A 90 0.495 -1.545 11.170 1.00 0.00 C ATOM 1415 CG ARG A 90 0.402 -1.601 12.686 1.00 0.00 C ATOM 1416 CD ARG A 90 1.467 -0.736 13.342 1.00 0.00 C ATOM 1417 NE ARG A 90 1.573 -0.991 14.776 1.00 0.00 N ATOM 1418 CZ ARG A 90 2.541 -0.498 15.541 1.00 0.00 C ATOM 1419 NH1 ARG A 90 3.481 0.272 15.011 1.00 0.00 N ATOM 1420 NH2 ARG A 90 2.569 -0.774 16.838 1.00 0.00 N ATOM 0 H ARG A 90 -0.987 -1.195 8.635 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.723 -3.250 10.692 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.409 -2.047 10.852 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.577 -0.504 10.858 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.586 -1.267 13.004 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.513 -2.632 13.021 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.430 -0.925 12.868 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.232 0.316 13.177 1.00 0.00 H new ATOM 0 HE ARG A 90 0.865 -1.580 15.214 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.462 0.487 14.014 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.223 0.649 15.600 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.847 -1.365 17.249 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.313 -0.395 17.424 1.00 0.00 H new ATOM 1434 N TRP A 91 -2.490 -2.030 12.087 1.00 0.00 N ATOM 1435 CA TRP A 91 -3.725 -1.511 12.663 1.00 0.00 C ATOM 1436 C TRP A 91 -3.701 -1.613 14.184 1.00 0.00 C ATOM 1437 O TRP A 91 -3.100 -2.529 14.745 1.00 0.00 O ATOM 1438 CB TRP A 91 -4.930 -2.271 12.107 1.00 0.00 C ATOM 1439 CG TRP A 91 -4.874 -3.746 12.368 1.00 0.00 C ATOM 1440 CD1 TRP A 91 -5.335 -4.400 13.475 1.00 0.00 C ATOM 1441 CD2 TRP A 91 -4.325 -4.748 11.506 1.00 0.00 C ATOM 1442 NE1 TRP A 91 -5.105 -5.749 13.353 1.00 0.00 N ATOM 1443 CE2 TRP A 91 -4.487 -5.989 12.154 1.00 0.00 C ATOM 1444 CE3 TRP A 91 -3.714 -4.719 10.250 1.00 0.00 C ATOM 1445 CZ2 TRP A 91 -4.059 -7.186 11.586 1.00 0.00 C ATOM 1446 CZ3 TRP A 91 -3.289 -5.908 9.688 1.00 0.00 C ATOM 1447 CH2 TRP A 91 -3.464 -7.128 10.355 1.00 0.00 C ATOM 0 H TRP A 91 -2.053 -2.776 12.628 1.00 0.00 H new ATOM 0 HA TRP A 91 -3.810 -0.459 12.390 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.841 -1.866 12.547 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -4.993 -2.102 11.032 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -5.810 -3.927 14.321 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -5.354 -6.457 14.043 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -3.576 -3.784 9.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -4.192 -8.127 12.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -2.814 -5.897 8.718 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -3.123 -8.040 9.888 1.00 0.00 H new