USER MOD reduce.3.24.130724 H: found=0, std=0, add=1077, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1061 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 108 GLN : amide:sc= 0.564 K(o=1.4,f=-1.4) USER MOD Set 1.2: A 110 HIS : no HE2:sc= 0.809 K(o=1.4,f=-4.8!) USER MOD Set 2.1: A 82 HIS : no HE2:sc= -0.234 K(o=0.86,f=-6.2!) USER MOD Set 2.2: A 88 SER OG : rot 151:sc= 1.1 USER MOD Set 3.1: A 78 ASN : amide:sc= 1.3 K(o=1.4,f=-0.82) USER MOD Set 3.2: A 80 HIS : no HD1:sc= 0.119 K(o=1.4,f=-3.7!) USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0476 (180deg=-0.368) USER MOD Single : A 1 MET N :NH3+ -168:sc= 0 (180deg=-0.199) USER MOD Single : A 3 LYS NZ :NH3+ -175:sc= 1.31 (180deg=1.24) USER MOD Single : A 4 LYS NZ :NH3+ 169:sc= 1 (180deg=0.911) USER MOD Single : A 6 TYR OH : rot 180:sc= -0.0572 USER MOD Single : A 9 MET CE :methyl -179:sc= -0.288 (180deg=-0.3) USER MOD Single : A 11 ASN : amide:sc=-0.00496 X(o=-0.005,f=-0.0039) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.0532 K(o=-0.053,f=-1.4!) USER MOD Single : A 27 THR OG1 : rot -130:sc= -0.523 USER MOD Single : A 30 ASN : amide:sc= 0.288 X(o=0.29,f=0.0011) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0662 K(o=-0.066,f=-1.7!) USER MOD Single : A 40 TYR OH : rot 25:sc= 0.843 USER MOD Single : A 41 ASN : amide:sc= -0.419 K(o=-0.42,f=-2.2!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= -0.291 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 58 CYS SG : rot 158:sc= 1.09 USER MOD Single : A 62 ASN : amide:sc=-0.00495 K(o=-0.0049,f=-1.1) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= 0.193 USER MOD Single : A 75 THR OG1 : rot 139:sc= 0.723 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot -70:sc= 0.349 USER MOD Single : A 87 MET CE :methyl 171:sc= 0 (180deg=-0.088) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= 1.29 K(o=1.3,f=-9.7!) USER MOD Single : A 96 THR OG1 : rot 65:sc= 0.418 USER MOD Single : A 98 SER OG : rot 180:sc= 0.373 USER MOD Single : A 99 CYS SG : rot 160:sc= 0.0111 USER MOD Single : A 100 GLN : amide:sc= 2.26 K(o=2.3,f=-2.7!) USER MOD Single : A 105 HIS : no HE2:sc= -0.428 K(o=-0.43,f=-1.5) USER MOD Single : A 115 HIS : no HD1:sc= -0.167 K(o=-0.17,f=-1.1) USER MOD Single : A 116 THR OG1 : rot 140:sc= 0.383 USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0.082) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 125 MET CE :methyl 169:sc= 0 (180deg=-0.121) USER MOD Single : A 130 THR OG1 : rot -77:sc= 0.36 USER MOD Single : A 131 MET CE :methyl -174:sc= -1.6 (180deg=-1.71) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= -1.06 K(o=-1.1,f=-6.5!) USER MOD Single : A 137 MET CE :methyl -119:sc= 0 (180deg=-0.115) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.519 1.986 -16.577 1.00 0.00 N ATOM 2 CA MET A 1 -5.239 1.945 -15.879 1.00 0.00 C ATOM 3 C MET A 1 -5.429 1.644 -14.398 1.00 0.00 C ATOM 4 O MET A 1 -6.346 2.164 -13.761 1.00 0.00 O ATOM 5 CB MET A 1 -4.496 3.266 -16.063 1.00 0.00 C ATOM 6 CG MET A 1 -4.132 3.588 -17.505 1.00 0.00 C ATOM 7 SD MET A 1 -3.011 2.374 -18.228 1.00 0.00 S ATOM 8 CE MET A 1 -1.523 2.681 -17.278 1.00 0.00 C ATOM 0 H1 MET A 1 -6.354 1.989 -17.604 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.082 1.151 -16.319 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.034 2.848 -16.307 1.00 0.00 H new ATOM 0 HA MET A 1 -4.643 1.141 -16.310 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.112 4.073 -15.668 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.583 3.241 -15.468 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.042 3.637 -18.103 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.669 4.574 -17.547 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.670 2.225 -17.781 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.362 3.756 -17.192 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.631 2.249 -16.283 1.00 0.00 H new ATOM 18 N ALA A 2 -4.557 0.802 -13.854 1.00 0.00 N ATOM 19 CA ALA A 2 -4.576 0.494 -12.429 1.00 0.00 C ATOM 20 C ALA A 2 -3.314 0.998 -11.740 1.00 0.00 C ATOM 21 O ALA A 2 -2.296 1.242 -12.388 1.00 0.00 O ATOM 22 CB ALA A 2 -4.735 -1.004 -12.212 1.00 0.00 C ATOM 0 H ALA A 2 -3.827 0.320 -14.379 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.430 1.006 -11.986 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.747 -1.218 -11.143 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.670 -1.339 -12.660 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.901 -1.530 -12.677 1.00 0.00 H new ATOM 28 N LYS A 3 -3.387 1.152 -10.422 1.00 0.00 N ATOM 29 CA LYS A 3 -2.245 1.611 -9.641 1.00 0.00 C ATOM 30 C LYS A 3 -1.691 0.494 -8.766 1.00 0.00 C ATOM 31 O LYS A 3 -2.447 -0.277 -8.173 1.00 0.00 O ATOM 32 CB LYS A 3 -2.636 2.812 -8.776 1.00 0.00 C ATOM 33 CG LYS A 3 -2.952 4.077 -9.563 1.00 0.00 C ATOM 34 CD LYS A 3 -3.181 5.261 -8.635 1.00 0.00 C ATOM 35 CE LYS A 3 -3.345 6.555 -9.419 1.00 0.00 C ATOM 36 NZ LYS A 3 -2.108 6.918 -10.160 1.00 0.00 N ATOM 0 H LYS A 3 -4.226 0.965 -9.872 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.465 1.916 -10.339 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.506 2.545 -8.176 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.823 3.024 -8.081 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.130 4.299 -10.244 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.839 3.915 -10.176 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.070 5.085 -8.030 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.341 5.354 -7.947 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -4.171 6.451 -10.122 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.608 7.362 -8.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.234 7.847 -10.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.307 6.960 -9.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.917 6.202 -10.889 1.00 0.00 H new ATOM 50 N LYS A 4 -0.367 0.412 -8.688 1.00 0.00 N ATOM 51 CA LYS A 4 0.290 -0.586 -7.853 1.00 0.00 C ATOM 52 C LYS A 4 1.658 -0.101 -7.389 1.00 0.00 C ATOM 53 O LYS A 4 2.080 1.006 -7.722 1.00 0.00 O ATOM 54 CB LYS A 4 0.429 -1.909 -8.607 1.00 0.00 C ATOM 55 CG LYS A 4 1.339 -1.845 -9.826 1.00 0.00 C ATOM 56 CD LYS A 4 1.293 -3.143 -10.619 1.00 0.00 C ATOM 57 CE LYS A 4 1.988 -4.273 -9.874 1.00 0.00 C ATOM 58 NZ LYS A 4 1.838 -5.577 -10.575 1.00 0.00 N ATOM 0 H LYS A 4 0.272 1.025 -9.193 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.332 -0.745 -6.972 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.812 -2.665 -7.922 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.560 -2.238 -8.924 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.037 -1.015 -10.465 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.363 -1.646 -9.508 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.256 -3.416 -10.812 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.770 -2.996 -11.588 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.047 -4.039 -9.766 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.575 -4.352 -8.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.473 -6.278 -10.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.854 -5.904 -10.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.082 -5.461 -11.579 1.00 0.00 H new ATOM 72 N GLY A 5 2.347 -0.937 -6.619 1.00 0.00 N ATOM 73 CA GLY A 5 3.687 -0.613 -6.145 1.00 0.00 C ATOM 74 C GLY A 5 4.310 -1.790 -5.406 1.00 0.00 C ATOM 75 O GLY A 5 3.740 -2.881 -5.366 1.00 0.00 O ATOM 0 H GLY A 5 1.999 -1.845 -6.310 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.317 -0.336 -6.990 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.642 0.252 -5.484 1.00 0.00 H new ATOM 79 N TYR A 6 5.480 -1.564 -4.821 1.00 0.00 N ATOM 80 CA TYR A 6 6.171 -2.599 -4.062 1.00 0.00 C ATOM 81 C TYR A 6 7.093 -1.991 -3.013 1.00 0.00 C ATOM 82 O TYR A 6 7.492 -0.831 -3.121 1.00 0.00 O ATOM 83 CB TYR A 6 6.965 -3.512 -5.000 1.00 0.00 C ATOM 84 CG TYR A 6 8.081 -2.805 -5.739 1.00 0.00 C ATOM 85 CD1 TYR A 6 9.329 -2.675 -5.148 1.00 0.00 C ATOM 86 CD2 TYR A 6 7.855 -2.289 -7.005 1.00 0.00 C ATOM 87 CE1 TYR A 6 10.349 -2.031 -5.823 1.00 0.00 C ATOM 88 CE2 TYR A 6 8.874 -1.644 -7.680 1.00 0.00 C ATOM 89 CZ TYR A 6 10.116 -1.515 -7.093 1.00 0.00 C ATOM 90 OH TYR A 6 11.131 -0.872 -7.765 1.00 0.00 O ATOM 0 H TYR A 6 5.971 -0.671 -4.858 1.00 0.00 H new ATOM 0 HA TYR A 6 5.417 -3.194 -3.546 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.388 -4.333 -4.421 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.283 -3.953 -5.727 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.504 -3.077 -4.161 1.00 0.00 H new ATOM 0 HD2 TYR A 6 6.883 -2.391 -7.464 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.322 -1.929 -5.366 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.698 -1.241 -8.667 1.00 0.00 H new ATOM 0 HH TYR A 6 10.806 -0.572 -8.639 1.00 0.00 H new ATOM 100 N ILE A 7 7.427 -2.780 -1.997 1.00 0.00 N ATOM 101 CA ILE A 7 8.378 -2.355 -0.977 1.00 0.00 C ATOM 102 C ILE A 7 9.613 -3.246 -0.970 1.00 0.00 C ATOM 103 O ILE A 7 9.542 -4.419 -0.605 1.00 0.00 O ATOM 104 CB ILE A 7 7.728 -2.365 0.419 1.00 0.00 C ATOM 105 CG1 ILE A 7 6.557 -1.381 0.470 1.00 0.00 C ATOM 106 CG2 ILE A 7 8.757 -2.031 1.487 1.00 0.00 C ATOM 107 CD1 ILE A 7 5.790 -1.412 1.772 1.00 0.00 C ATOM 0 H ILE A 7 7.052 -3.719 -1.858 1.00 0.00 H new ATOM 0 HA ILE A 7 8.682 -1.337 -1.221 1.00 0.00 H new ATOM 0 HB ILE A 7 7.344 -3.366 0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.935 -0.372 0.306 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.873 -1.602 -0.349 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.281 -2.042 2.467 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.558 -2.770 1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.171 -1.041 1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.976 -0.688 1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.381 -2.410 1.929 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.459 -1.161 2.595 1.00 0.00 H new ATOM 119 N LEU A 8 10.746 -2.681 -1.376 1.00 0.00 N ATOM 120 CA LEU A 8 12.024 -3.378 -1.285 1.00 0.00 C ATOM 121 C LEU A 8 12.655 -3.195 0.089 1.00 0.00 C ATOM 122 O LEU A 8 13.018 -2.083 0.473 1.00 0.00 O ATOM 123 CB LEU A 8 12.984 -2.867 -2.367 1.00 0.00 C ATOM 124 CG LEU A 8 14.410 -3.428 -2.311 1.00 0.00 C ATOM 125 CD1 LEU A 8 14.373 -4.933 -2.542 1.00 0.00 C ATOM 126 CD2 LEU A 8 15.270 -2.736 -3.357 1.00 0.00 C ATOM 0 H LEU A 8 10.805 -1.742 -1.771 1.00 0.00 H new ATOM 0 HA LEU A 8 11.837 -4.441 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.559 -3.101 -3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.038 -1.781 -2.295 1.00 0.00 H new ATOM 0 HG LEU A 8 14.846 -3.241 -1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.386 -5.332 -2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.767 -5.405 -1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.939 -5.140 -3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.283 -3.135 -3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.850 -2.911 -4.347 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.294 -1.665 -3.158 1.00 0.00 H new ATOM 138 N MET A 9 12.782 -4.292 0.827 1.00 0.00 N ATOM 139 CA MET A 9 13.338 -4.250 2.174 1.00 0.00 C ATOM 140 C MET A 9 14.860 -4.245 2.143 1.00 0.00 C ATOM 141 O MET A 9 15.471 -4.693 1.173 1.00 0.00 O ATOM 142 CB MET A 9 12.825 -5.433 2.994 1.00 0.00 C ATOM 143 CG MET A 9 11.311 -5.484 3.146 1.00 0.00 C ATOM 144 SD MET A 9 10.643 -4.020 3.959 1.00 0.00 S ATOM 145 CE MET A 9 11.274 -4.238 5.621 1.00 0.00 C ATOM 0 H MET A 9 12.507 -5.223 0.514 1.00 0.00 H new ATOM 0 HA MET A 9 13.011 -3.324 2.646 1.00 0.00 H new ATOM 0 HB2 MET A 9 13.162 -6.358 2.525 1.00 0.00 H new ATOM 0 HB3 MET A 9 13.276 -5.395 3.985 1.00 0.00 H new ATOM 0 HG2 MET A 9 10.855 -5.588 2.162 1.00 0.00 H new ATOM 0 HG3 MET A 9 11.037 -6.370 3.719 1.00 0.00 H new ATOM 0 HE1 MET A 9 10.930 -3.418 6.251 1.00 0.00 H new ATOM 0 HE2 MET A 9 10.913 -5.183 6.026 1.00 0.00 H new ATOM 0 HE3 MET A 9 12.364 -4.246 5.598 1.00 0.00 H new ATOM 155 N GLU A 10 15.468 -3.736 3.209 1.00 0.00 N ATOM 156 CA GLU A 10 16.921 -3.675 3.306 1.00 0.00 C ATOM 157 C GLU A 10 17.537 -5.067 3.253 1.00 0.00 C ATOM 158 O GLU A 10 18.685 -5.233 2.841 1.00 0.00 O ATOM 159 CB GLU A 10 17.339 -2.971 4.599 1.00 0.00 C ATOM 160 CG GLU A 10 18.801 -2.547 4.639 1.00 0.00 C ATOM 161 CD GLU A 10 19.154 -1.563 3.559 1.00 0.00 C ATOM 162 OE1 GLU A 10 18.440 -0.602 3.400 1.00 0.00 O ATOM 163 OE2 GLU A 10 20.140 -1.772 2.892 1.00 0.00 O ATOM 0 H GLU A 10 14.976 -3.359 4.019 1.00 0.00 H new ATOM 0 HA GLU A 10 17.288 -3.106 2.452 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.713 -2.089 4.737 1.00 0.00 H new ATOM 0 HB3 GLU A 10 17.143 -3.636 5.440 1.00 0.00 H new ATOM 0 HG2 GLU A 10 19.020 -2.106 5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 10 19.433 -3.430 4.540 1.00 0.00 H new ATOM 170 N ASN A 11 16.765 -6.066 3.670 1.00 0.00 N ATOM 171 CA ASN A 11 17.243 -7.443 3.694 1.00 0.00 C ATOM 172 C ASN A 11 16.951 -8.151 2.378 1.00 0.00 C ATOM 173 O ASN A 11 17.278 -9.325 2.207 1.00 0.00 O ATOM 174 CB ASN A 11 16.626 -8.201 4.856 1.00 0.00 C ATOM 175 CG ASN A 11 17.089 -7.688 6.191 1.00 0.00 C ATOM 176 OD1 ASN A 11 18.286 -7.720 6.501 1.00 0.00 O ATOM 177 ND2 ASN A 11 16.165 -7.217 6.988 1.00 0.00 N ATOM 0 H ASN A 11 15.806 -5.947 3.996 1.00 0.00 H new ATOM 0 HA ASN A 11 18.324 -7.420 3.829 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.540 -8.126 4.799 1.00 0.00 H new ATOM 0 HB3 ASN A 11 16.877 -9.258 4.770 1.00 0.00 H new ATOM 0 HD21 ASN A 11 16.420 -6.856 7.907 1.00 0.00 H new ATOM 0 HD22 ASN A 11 15.189 -7.210 6.690 1.00 0.00 H new ATOM 184 N GLY A 12 16.335 -7.429 1.447 1.00 0.00 N ATOM 185 CA GLY A 12 16.040 -7.972 0.126 1.00 0.00 C ATOM 186 C GLY A 12 14.680 -8.656 0.102 1.00 0.00 C ATOM 187 O GLY A 12 14.313 -9.296 -0.884 1.00 0.00 O ATOM 0 H GLY A 12 16.030 -6.465 1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 12 16.060 -7.170 -0.612 1.00 0.00 H new ATOM 0 HA3 GLY A 12 16.814 -8.685 -0.158 1.00 0.00 H new ATOM 191 N GLY A 13 13.935 -8.519 1.193 1.00 0.00 N ATOM 192 CA GLY A 13 12.617 -9.133 1.303 1.00 0.00 C ATOM 193 C GLY A 13 11.558 -8.298 0.595 1.00 0.00 C ATOM 194 O GLY A 13 10.649 -7.762 1.229 1.00 0.00 O ATOM 0 H GLY A 13 14.222 -7.987 2.015 1.00 0.00 H new ATOM 0 HA2 GLY A 13 12.642 -10.134 0.872 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.352 -9.245 2.354 1.00 0.00 H new ATOM 198 N LYS A 14 11.681 -8.189 -0.724 1.00 0.00 N ATOM 199 CA LYS A 14 10.801 -7.332 -1.507 1.00 0.00 C ATOM 200 C LYS A 14 9.387 -7.896 -1.560 1.00 0.00 C ATOM 201 O LYS A 14 9.185 -9.063 -1.897 1.00 0.00 O ATOM 202 CB LYS A 14 11.349 -7.154 -2.924 1.00 0.00 C ATOM 203 CG LYS A 14 10.648 -6.074 -3.738 1.00 0.00 C ATOM 204 CD LYS A 14 11.320 -5.878 -5.089 1.00 0.00 C ATOM 205 CE LYS A 14 10.762 -6.838 -6.131 1.00 0.00 C ATOM 206 NZ LYS A 14 11.387 -6.633 -7.466 1.00 0.00 N ATOM 0 H LYS A 14 12.383 -8.685 -1.273 1.00 0.00 H new ATOM 0 HA LYS A 14 10.762 -6.359 -1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.411 -6.914 -2.863 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.267 -8.103 -3.454 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.603 -6.347 -3.885 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.657 -5.135 -3.185 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.175 -4.851 -5.424 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.394 -6.032 -4.989 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.930 -7.865 -5.805 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.684 -6.701 -6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.980 -7.306 -8.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.205 -5.661 -7.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.413 -6.789 -7.397 1.00 0.00 H new ATOM 220 N ILE A 15 8.410 -7.060 -1.226 1.00 0.00 N ATOM 221 CA ILE A 15 7.007 -7.451 -1.302 1.00 0.00 C ATOM 222 C ILE A 15 6.235 -6.551 -2.258 1.00 0.00 C ATOM 223 O ILE A 15 6.615 -5.403 -2.488 1.00 0.00 O ATOM 224 CB ILE A 15 6.348 -7.408 0.089 1.00 0.00 C ATOM 225 CG1 ILE A 15 6.269 -5.967 0.598 1.00 0.00 C ATOM 226 CG2 ILE A 15 7.118 -8.281 1.069 1.00 0.00 C ATOM 227 CD1 ILE A 15 4.967 -5.275 0.271 1.00 0.00 C ATOM 0 H ILE A 15 8.564 -6.106 -0.900 1.00 0.00 H new ATOM 0 HA ILE A 15 6.976 -8.473 -1.680 1.00 0.00 H new ATOM 0 HB ILE A 15 5.334 -7.799 0.005 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.409 -5.965 1.679 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.092 -5.395 0.169 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.639 -8.239 2.047 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.124 -9.311 0.712 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.143 -7.919 1.151 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.986 -4.259 0.664 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.833 -5.243 -0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.140 -5.823 0.723 1.00 0.00 H new ATOM 239 N GLU A 16 5.150 -7.079 -2.813 1.00 0.00 N ATOM 240 CA GLU A 16 4.414 -6.388 -3.866 1.00 0.00 C ATOM 241 C GLU A 16 2.952 -6.197 -3.482 1.00 0.00 C ATOM 242 O GLU A 16 2.331 -7.090 -2.903 1.00 0.00 O ATOM 243 CB GLU A 16 4.509 -7.164 -5.180 1.00 0.00 C ATOM 244 CG GLU A 16 3.797 -6.505 -6.353 1.00 0.00 C ATOM 245 CD GLU A 16 3.964 -7.263 -7.641 1.00 0.00 C ATOM 246 OE1 GLU A 16 4.537 -8.325 -7.612 1.00 0.00 O ATOM 247 OE2 GLU A 16 3.516 -6.779 -8.654 1.00 0.00 O ATOM 0 H GLU A 16 4.760 -7.984 -2.551 1.00 0.00 H new ATOM 0 HA GLU A 16 4.865 -5.405 -3.998 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.561 -7.294 -5.436 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.092 -8.160 -5.031 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.735 -6.418 -6.124 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.180 -5.492 -6.481 1.00 0.00 H new ATOM 254 N PHE A 17 2.407 -5.031 -3.807 1.00 0.00 N ATOM 255 CA PHE A 17 1.040 -4.691 -3.431 1.00 0.00 C ATOM 256 C PHE A 17 0.334 -3.931 -4.546 1.00 0.00 C ATOM 257 O PHE A 17 0.974 -3.424 -5.467 1.00 0.00 O ATOM 258 CB PHE A 17 1.031 -3.854 -2.151 1.00 0.00 C ATOM 259 CG PHE A 17 1.706 -2.519 -2.295 1.00 0.00 C ATOM 260 CD1 PHE A 17 1.011 -1.424 -2.787 1.00 0.00 C ATOM 261 CD2 PHE A 17 3.036 -2.357 -1.938 1.00 0.00 C ATOM 262 CE1 PHE A 17 1.632 -0.197 -2.920 1.00 0.00 C ATOM 263 CE2 PHE A 17 3.659 -1.131 -2.069 1.00 0.00 C ATOM 264 CZ PHE A 17 2.955 -0.050 -2.561 1.00 0.00 C ATOM 0 H PHE A 17 2.892 -4.303 -4.332 1.00 0.00 H new ATOM 0 HA PHE A 17 0.503 -5.623 -3.255 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.001 -3.697 -1.838 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.523 -4.416 -1.357 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.026 -1.532 -3.069 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.591 -3.199 -1.553 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.081 0.648 -3.306 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.695 -1.018 -1.787 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.440 0.909 -2.664 1.00 0.00 H new ATOM 274 N GLU A 18 -0.990 -3.856 -4.458 1.00 0.00 N ATOM 275 CA GLU A 18 -1.781 -3.111 -5.429 1.00 0.00 C ATOM 276 C GLU A 18 -2.629 -2.045 -4.745 1.00 0.00 C ATOM 277 O GLU A 18 -2.937 -2.151 -3.558 1.00 0.00 O ATOM 278 CB GLU A 18 -2.681 -4.059 -6.225 1.00 0.00 C ATOM 279 CG GLU A 18 -1.929 -5.025 -7.129 1.00 0.00 C ATOM 280 CD GLU A 18 -2.844 -5.904 -7.936 1.00 0.00 C ATOM 281 OE1 GLU A 18 -4.036 -5.785 -7.784 1.00 0.00 O ATOM 282 OE2 GLU A 18 -2.351 -6.695 -8.705 1.00 0.00 O ATOM 0 H GLU A 18 -1.538 -4.303 -3.723 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.091 -2.616 -6.112 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.291 -4.633 -5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.364 -3.467 -6.834 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.289 -4.458 -7.805 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.276 -5.651 -6.520 1.00 0.00 H new ATOM 289 N LEU A 19 -3.005 -1.020 -5.502 1.00 0.00 N ATOM 290 CA LEU A 19 -3.724 0.120 -4.946 1.00 0.00 C ATOM 291 C LEU A 19 -5.135 0.211 -5.513 1.00 0.00 C ATOM 292 O LEU A 19 -5.425 -0.340 -6.574 1.00 0.00 O ATOM 293 CB LEU A 19 -2.964 1.420 -5.239 1.00 0.00 C ATOM 294 CG LEU A 19 -1.548 1.508 -4.657 1.00 0.00 C ATOM 295 CD1 LEU A 19 -0.862 2.766 -5.176 1.00 0.00 C ATOM 296 CD2 LEU A 19 -1.623 1.514 -3.137 1.00 0.00 C ATOM 0 H LEU A 19 -2.823 -0.955 -6.504 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.795 -0.023 -3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.901 1.547 -6.320 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.548 2.256 -4.853 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.963 0.643 -4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.144 2.829 -4.762 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.805 2.727 -6.264 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.434 3.643 -4.874 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.617 1.577 -2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.206 2.373 -2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.100 0.597 -2.793 1.00 0.00 H new ATOM 308 N PHE A 20 -6.010 0.909 -4.796 1.00 0.00 N ATOM 309 CA PHE A 20 -7.399 1.057 -5.217 1.00 0.00 C ATOM 310 C PHE A 20 -7.828 2.518 -5.193 1.00 0.00 C ATOM 311 O PHE A 20 -8.510 2.960 -4.270 1.00 0.00 O ATOM 312 CB PHE A 20 -8.321 0.235 -4.316 1.00 0.00 C ATOM 313 CG PHE A 20 -7.983 -1.228 -4.275 1.00 0.00 C ATOM 314 CD1 PHE A 20 -8.209 -2.038 -5.376 1.00 0.00 C ATOM 315 CD2 PHE A 20 -7.435 -1.796 -3.134 1.00 0.00 C ATOM 316 CE1 PHE A 20 -7.900 -3.384 -5.341 1.00 0.00 C ATOM 317 CE2 PHE A 20 -7.123 -3.142 -3.096 1.00 0.00 C ATOM 318 CZ PHE A 20 -7.356 -3.936 -4.198 1.00 0.00 C ATOM 0 H PHE A 20 -5.782 1.381 -3.921 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.476 0.690 -6.241 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.277 0.637 -3.304 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.348 0.351 -4.661 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.632 -1.612 -6.273 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.250 -1.180 -2.266 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.084 -4.004 -6.206 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.696 -3.572 -2.202 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.114 -4.988 -4.168 1.00 0.00 H new ATOM 328 N PRO A 21 -7.424 3.265 -6.216 1.00 0.00 N ATOM 329 CA PRO A 21 -7.783 4.675 -6.325 1.00 0.00 C ATOM 330 C PRO A 21 -9.284 4.846 -6.519 1.00 0.00 C ATOM 331 O PRO A 21 -9.826 5.932 -6.313 1.00 0.00 O ATOM 332 CB PRO A 21 -6.998 5.136 -7.557 1.00 0.00 C ATOM 333 CG PRO A 21 -6.789 3.889 -8.346 1.00 0.00 C ATOM 334 CD PRO A 21 -6.559 2.823 -7.309 1.00 0.00 C ATOM 0 HA PRO A 21 -7.546 5.252 -5.431 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.554 5.880 -8.128 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.049 5.593 -7.276 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.657 3.660 -8.965 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.935 3.982 -9.017 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -6.836 1.834 -7.673 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.514 2.769 -7.005 1.00 0.00 H new ATOM 342 N ASN A 22 -9.952 3.768 -6.916 1.00 0.00 N ATOM 343 CA ASN A 22 -11.403 3.776 -7.061 1.00 0.00 C ATOM 344 C ASN A 22 -12.092 3.728 -5.703 1.00 0.00 C ATOM 345 O ASN A 22 -13.242 4.146 -5.565 1.00 0.00 O ATOM 346 CB ASN A 22 -11.858 2.619 -7.932 1.00 0.00 C ATOM 347 CG ASN A 22 -11.490 2.805 -9.378 1.00 0.00 C ATOM 348 OD1 ASN A 22 -11.263 3.933 -9.834 1.00 0.00 O ATOM 349 ND2 ASN A 22 -11.425 1.722 -10.108 1.00 0.00 N ATOM 0 H ASN A 22 -9.511 2.877 -7.143 1.00 0.00 H new ATOM 0 HA ASN A 22 -11.687 4.709 -7.548 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.413 1.695 -7.564 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.939 2.508 -7.847 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.179 1.787 -11.096 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.620 0.812 -9.690 1.00 0.00 H new ATOM 356 N GLU A 23 -11.382 3.217 -4.703 1.00 0.00 N ATOM 357 CA GLU A 23 -11.932 3.096 -3.358 1.00 0.00 C ATOM 358 C GLU A 23 -11.486 4.252 -2.473 1.00 0.00 C ATOM 359 O GLU A 23 -12.222 4.693 -1.592 1.00 0.00 O ATOM 360 CB GLU A 23 -11.511 1.767 -2.727 1.00 0.00 C ATOM 361 CG GLU A 23 -12.042 0.534 -3.445 1.00 0.00 C ATOM 362 CD GLU A 23 -13.542 0.514 -3.540 1.00 0.00 C ATOM 363 OE1 GLU A 23 -14.186 0.754 -2.547 1.00 0.00 O ATOM 364 OE2 GLU A 23 -14.046 0.258 -4.609 1.00 0.00 O ATOM 0 H GLU A 23 -10.424 2.880 -4.799 1.00 0.00 H new ATOM 0 HA GLU A 23 -13.019 3.126 -3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.422 1.718 -2.704 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.853 1.745 -1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.619 0.494 -4.449 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.704 -0.360 -2.920 1.00 0.00 H new ATOM 371 N ALA A 24 -10.273 4.741 -2.715 1.00 0.00 N ATOM 372 CA ALA A 24 -9.750 5.889 -1.984 1.00 0.00 C ATOM 373 C ALA A 24 -8.903 6.777 -2.886 1.00 0.00 C ATOM 374 O ALA A 24 -7.674 6.715 -2.857 1.00 0.00 O ATOM 375 CB ALA A 24 -8.938 5.426 -0.784 1.00 0.00 C ATOM 0 H ALA A 24 -9.634 4.359 -3.412 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.597 6.478 -1.631 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.554 6.294 -0.248 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.573 4.840 -0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.104 4.811 -1.124 1.00 0.00 H new ATOM 381 N PRO A 25 -9.568 7.604 -3.686 1.00 0.00 N ATOM 382 CA PRO A 25 -8.879 8.458 -4.647 1.00 0.00 C ATOM 383 C PRO A 25 -7.802 9.294 -3.968 1.00 0.00 C ATOM 384 O PRO A 25 -6.647 9.300 -4.393 1.00 0.00 O ATOM 385 CB PRO A 25 -10.008 9.334 -5.200 1.00 0.00 C ATOM 386 CG PRO A 25 -11.217 8.465 -5.121 1.00 0.00 C ATOM 387 CD PRO A 25 -11.049 7.704 -3.833 1.00 0.00 C ATOM 0 HA PRO A 25 -8.355 7.900 -5.423 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.132 10.243 -4.611 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.806 9.643 -6.225 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.132 9.057 -5.116 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.278 7.791 -5.975 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.502 8.230 -2.993 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.516 6.720 -3.883 1.00 0.00 H new ATOM 395 N VAL A 26 -8.187 10.000 -2.909 1.00 0.00 N ATOM 396 CA VAL A 26 -7.297 10.954 -2.259 1.00 0.00 C ATOM 397 C VAL A 26 -6.114 10.248 -1.608 1.00 0.00 C ATOM 398 O VAL A 26 -4.962 10.631 -1.812 1.00 0.00 O ATOM 399 CB VAL A 26 -8.062 11.758 -1.192 1.00 0.00 C ATOM 400 CG1 VAL A 26 -7.103 12.612 -0.378 1.00 0.00 C ATOM 401 CG2 VAL A 26 -9.123 12.622 -1.857 1.00 0.00 C ATOM 0 H VAL A 26 -9.111 9.929 -2.483 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.921 11.631 -3.026 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.554 11.063 -0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.662 13.173 0.371 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.375 11.970 0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.584 13.306 -1.039 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.660 13.188 -1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.646 13.312 -2.554 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.823 11.986 -2.398 1.00 0.00 H new ATOM 411 N THR A 27 -6.406 9.216 -0.823 1.00 0.00 N ATOM 412 CA THR A 27 -5.382 8.537 -0.039 1.00 0.00 C ATOM 413 C THR A 27 -4.364 7.849 -0.941 1.00 0.00 C ATOM 414 O THR A 27 -3.160 7.910 -0.692 1.00 0.00 O ATOM 415 CB THR A 27 -6.009 7.502 0.913 1.00 0.00 C ATOM 416 OG1 THR A 27 -6.908 8.162 1.814 1.00 0.00 O ATOM 417 CG2 THR A 27 -4.928 6.790 1.714 1.00 0.00 C ATOM 0 H THR A 27 -7.344 8.832 -0.713 1.00 0.00 H new ATOM 0 HA THR A 27 -4.871 9.297 0.552 1.00 0.00 H new ATOM 0 HB THR A 27 -6.552 6.766 0.319 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.708 7.890 2.734 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.390 6.062 2.381 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.248 6.278 1.033 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.371 7.519 2.302 1.00 0.00 H new ATOM 425 N VAL A 28 -4.854 7.197 -1.989 1.00 0.00 N ATOM 426 CA VAL A 28 -3.988 6.506 -2.936 1.00 0.00 C ATOM 427 C VAL A 28 -3.097 7.488 -3.686 1.00 0.00 C ATOM 428 O VAL A 28 -1.901 7.252 -3.857 1.00 0.00 O ATOM 429 CB VAL A 28 -4.831 5.706 -3.946 1.00 0.00 C ATOM 430 CG1 VAL A 28 -3.955 5.190 -5.079 1.00 0.00 C ATOM 431 CG2 VAL A 28 -5.532 4.557 -3.240 1.00 0.00 C ATOM 0 H VAL A 28 -5.849 7.133 -2.204 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.354 5.824 -2.369 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.587 6.363 -4.376 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.566 4.627 -5.784 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.491 6.032 -5.593 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.179 4.541 -4.673 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.126 3.996 -3.961 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.789 3.898 -2.791 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.184 4.952 -2.461 1.00 0.00 H new ATOM 441 N ALA A 29 -3.688 8.591 -4.134 1.00 0.00 N ATOM 442 CA ALA A 29 -2.942 9.627 -4.838 1.00 0.00 C ATOM 443 C ALA A 29 -1.799 10.161 -3.985 1.00 0.00 C ATOM 444 O ALA A 29 -0.661 10.261 -4.446 1.00 0.00 O ATOM 445 CB ALA A 29 -3.870 10.761 -5.249 1.00 0.00 C ATOM 0 H ALA A 29 -4.682 8.790 -4.022 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.512 9.180 -5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.299 11.527 -5.773 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.648 10.374 -5.907 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.329 11.195 -4.361 1.00 0.00 H new ATOM 451 N ASN A 30 -2.108 10.503 -2.739 1.00 0.00 N ATOM 452 CA ASN A 30 -1.120 11.081 -1.836 1.00 0.00 C ATOM 453 C ASN A 30 -0.097 10.041 -1.397 1.00 0.00 C ATOM 454 O ASN A 30 1.070 10.361 -1.171 1.00 0.00 O ATOM 455 CB ASN A 30 -1.799 11.704 -0.630 1.00 0.00 C ATOM 456 CG ASN A 30 -2.381 13.058 -0.928 1.00 0.00 C ATOM 457 OD1 ASN A 30 -1.647 14.029 -1.143 1.00 0.00 O ATOM 458 ND2 ASN A 30 -3.687 13.141 -0.946 1.00 0.00 N ATOM 0 H ASN A 30 -3.036 10.390 -2.331 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.589 11.864 -2.378 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.591 11.041 -0.281 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.078 11.794 0.182 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.139 14.034 -1.143 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.253 12.313 -0.763 1.00 0.00 H new ATOM 465 N PHE A 31 -0.542 8.795 -1.280 1.00 0.00 N ATOM 466 CA PHE A 31 0.358 7.683 -0.998 1.00 0.00 C ATOM 467 C PHE A 31 1.418 7.544 -2.084 1.00 0.00 C ATOM 468 O PHE A 31 2.607 7.412 -1.791 1.00 0.00 O ATOM 469 CB PHE A 31 -0.427 6.377 -0.875 1.00 0.00 C ATOM 470 CG PHE A 31 0.430 5.180 -0.571 1.00 0.00 C ATOM 471 CD1 PHE A 31 0.814 4.897 0.731 1.00 0.00 C ATOM 472 CD2 PHE A 31 0.854 4.337 -1.587 1.00 0.00 C ATOM 473 CE1 PHE A 31 1.602 3.797 1.011 1.00 0.00 C ATOM 474 CE2 PHE A 31 1.640 3.236 -1.310 1.00 0.00 C ATOM 475 CZ PHE A 31 2.015 2.967 -0.009 1.00 0.00 C ATOM 0 H PHE A 31 -1.522 8.529 -1.376 1.00 0.00 H new ATOM 0 HA PHE A 31 0.857 7.893 -0.052 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.174 6.486 -0.089 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.966 6.199 -1.805 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.494 5.543 1.535 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.566 4.544 -2.607 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.894 3.588 2.029 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.961 2.586 -2.110 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.631 2.107 0.209 1.00 0.00 H new ATOM 485 N GLU A 32 0.981 7.574 -3.337 1.00 0.00 N ATOM 486 CA GLU A 32 1.899 7.541 -4.470 1.00 0.00 C ATOM 487 C GLU A 32 2.882 8.703 -4.417 1.00 0.00 C ATOM 488 O GLU A 32 4.084 8.521 -4.604 1.00 0.00 O ATOM 489 CB GLU A 32 1.121 7.577 -5.788 1.00 0.00 C ATOM 490 CG GLU A 32 1.996 7.584 -7.034 1.00 0.00 C ATOM 491 CD GLU A 32 1.199 7.549 -8.308 1.00 0.00 C ATOM 492 OE1 GLU A 32 -0.005 7.484 -8.232 1.00 0.00 O ATOM 493 OE2 GLU A 32 1.794 7.590 -9.358 1.00 0.00 O ATOM 0 H GLU A 32 -0.005 7.621 -3.595 1.00 0.00 H new ATOM 0 HA GLU A 32 2.465 6.611 -4.413 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.459 6.712 -5.829 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.488 8.464 -5.798 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.622 8.476 -7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.666 6.724 -7.006 1.00 0.00 H new ATOM 500 N LYS A 33 2.363 9.899 -4.160 1.00 0.00 N ATOM 501 CA LYS A 33 3.195 11.093 -4.069 1.00 0.00 C ATOM 502 C LYS A 33 4.245 10.950 -2.975 1.00 0.00 C ATOM 503 O LYS A 33 5.409 11.304 -3.168 1.00 0.00 O ATOM 504 CB LYS A 33 2.332 12.330 -3.815 1.00 0.00 C ATOM 505 CG LYS A 33 1.480 12.758 -5.001 1.00 0.00 C ATOM 506 CD LYS A 33 0.633 13.976 -4.661 1.00 0.00 C ATOM 507 CE LYS A 33 -0.232 14.396 -5.841 1.00 0.00 C ATOM 508 NZ LYS A 33 -1.051 15.599 -5.531 1.00 0.00 N ATOM 0 H LYS A 33 1.368 10.067 -4.011 1.00 0.00 H new ATOM 0 HA LYS A 33 3.711 11.214 -5.021 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.678 12.133 -2.966 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.981 13.159 -3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.124 12.985 -5.851 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.833 11.935 -5.303 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.002 13.752 -3.804 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.281 14.803 -4.370 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.404 14.602 -6.702 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.889 13.572 -6.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.625 15.851 -6.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.677 15.395 -4.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.424 16.393 -5.289 1.00 0.00 H new ATOM 522 N LEU A 34 3.827 10.432 -1.826 1.00 0.00 N ATOM 523 CA LEU A 34 4.743 10.191 -0.716 1.00 0.00 C ATOM 524 C LEU A 34 5.890 9.282 -1.137 1.00 0.00 C ATOM 525 O LEU A 34 7.058 9.587 -0.892 1.00 0.00 O ATOM 526 CB LEU A 34 3.991 9.563 0.463 1.00 0.00 C ATOM 527 CG LEU A 34 3.100 10.517 1.268 1.00 0.00 C ATOM 528 CD1 LEU A 34 2.163 9.710 2.158 1.00 0.00 C ATOM 529 CD2 LEU A 34 3.971 11.450 2.096 1.00 0.00 C ATOM 0 H LEU A 34 2.859 10.170 -1.638 1.00 0.00 H new ATOM 0 HA LEU A 34 5.159 11.151 -0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.372 8.750 0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.720 9.119 1.140 1.00 0.00 H new ATOM 0 HG LEU A 34 2.496 11.121 0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.530 10.389 2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.538 9.066 1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.749 9.097 2.843 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.337 12.128 2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.585 10.864 2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.616 12.028 1.434 1.00 0.00 H new ATOM 541 N ALA A 35 5.551 8.165 -1.772 1.00 0.00 N ATOM 542 CA ALA A 35 6.555 7.217 -2.243 1.00 0.00 C ATOM 543 C ALA A 35 7.506 7.870 -3.237 1.00 0.00 C ATOM 544 O ALA A 35 8.720 7.676 -3.168 1.00 0.00 O ATOM 545 CB ALA A 35 5.883 6.004 -2.871 1.00 0.00 C ATOM 0 H ALA A 35 4.588 7.894 -1.973 1.00 0.00 H new ATOM 0 HA ALA A 35 7.140 6.891 -1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.644 5.305 -3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.251 5.514 -2.130 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.272 6.323 -3.715 1.00 0.00 H new ATOM 551 N ASN A 36 6.949 8.645 -4.160 1.00 0.00 N ATOM 552 CA ASN A 36 7.743 9.305 -5.190 1.00 0.00 C ATOM 553 C ASN A 36 8.714 10.306 -4.578 1.00 0.00 C ATOM 554 O ASN A 36 9.824 10.492 -5.076 1.00 0.00 O ATOM 555 CB ASN A 36 6.844 9.984 -6.206 1.00 0.00 C ATOM 556 CG ASN A 36 6.184 9.006 -7.138 1.00 0.00 C ATOM 557 OD1 ASN A 36 6.645 7.870 -7.295 1.00 0.00 O ATOM 558 ND2 ASN A 36 5.112 9.426 -7.762 1.00 0.00 N ATOM 0 H ASN A 36 5.948 8.832 -4.216 1.00 0.00 H new ATOM 0 HA ASN A 36 8.328 8.541 -5.703 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.078 10.556 -5.683 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.431 10.695 -6.787 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.622 8.807 -8.408 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.767 10.372 -7.602 1.00 0.00 H new ATOM 565 N GLU A 37 8.289 10.950 -3.497 1.00 0.00 N ATOM 566 CA GLU A 37 9.116 11.944 -2.822 1.00 0.00 C ATOM 567 C GLU A 37 9.981 11.300 -1.746 1.00 0.00 C ATOM 568 O GLU A 37 10.670 11.990 -0.994 1.00 0.00 O ATOM 569 CB GLU A 37 8.240 13.034 -2.201 1.00 0.00 C ATOM 570 CG GLU A 37 7.420 13.829 -3.207 1.00 0.00 C ATOM 571 CD GLU A 37 8.265 14.703 -4.092 1.00 0.00 C ATOM 572 OE1 GLU A 37 9.406 14.922 -3.761 1.00 0.00 O ATOM 573 OE2 GLU A 37 7.770 15.150 -5.099 1.00 0.00 O ATOM 0 H GLU A 37 7.375 10.801 -3.069 1.00 0.00 H new ATOM 0 HA GLU A 37 9.772 12.394 -3.567 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.563 12.573 -1.482 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.877 13.722 -1.645 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.847 13.139 -3.827 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.701 14.450 -2.672 1.00 0.00 H new ATOM 580 N GLY A 38 9.942 9.974 -1.677 1.00 0.00 N ATOM 581 CA GLY A 38 10.887 9.220 -0.862 1.00 0.00 C ATOM 582 C GLY A 38 10.517 9.287 0.614 1.00 0.00 C ATOM 583 O GLY A 38 11.362 9.082 1.486 1.00 0.00 O ATOM 0 H GLY A 38 9.265 9.398 -2.177 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.904 8.180 -1.189 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.892 9.616 -1.006 1.00 0.00 H new ATOM 587 N PHE A 39 9.250 9.574 0.889 1.00 0.00 N ATOM 588 CA PHE A 39 8.759 9.642 2.260 1.00 0.00 C ATOM 589 C PHE A 39 8.594 8.249 2.856 1.00 0.00 C ATOM 590 O PHE A 39 8.375 8.100 4.058 1.00 0.00 O ATOM 591 CB PHE A 39 7.423 10.386 2.314 1.00 0.00 C ATOM 592 CG PHE A 39 7.561 11.882 2.289 1.00 0.00 C ATOM 593 CD1 PHE A 39 8.027 12.568 3.400 1.00 0.00 C ATOM 594 CD2 PHE A 39 7.225 12.605 1.155 1.00 0.00 C ATOM 595 CE1 PHE A 39 8.153 13.944 3.380 1.00 0.00 C ATOM 596 CE2 PHE A 39 7.352 13.981 1.131 1.00 0.00 C ATOM 597 CZ PHE A 39 7.815 14.651 2.244 1.00 0.00 C ATOM 0 H PHE A 39 8.543 9.764 0.179 1.00 0.00 H new ATOM 0 HA PHE A 39 9.498 10.186 2.849 1.00 0.00 H new ATOM 0 HB2 PHE A 39 6.809 10.073 1.470 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.892 10.094 3.220 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.295 12.021 4.292 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.860 12.087 0.280 1.00 0.00 H new ATOM 0 HE1 PHE A 39 8.516 14.466 4.253 1.00 0.00 H new ATOM 0 HE2 PHE A 39 7.089 14.532 0.240 1.00 0.00 H new ATOM 0 HZ PHE A 39 7.913 15.726 2.227 1.00 0.00 H new ATOM 607 N TYR A 40 8.702 7.233 2.008 1.00 0.00 N ATOM 608 CA TYR A 40 8.723 5.850 2.469 1.00 0.00 C ATOM 609 C TYR A 40 10.091 5.217 2.254 1.00 0.00 C ATOM 610 O TYR A 40 10.262 4.010 2.420 1.00 0.00 O ATOM 611 CB TYR A 40 7.643 5.032 1.756 1.00 0.00 C ATOM 612 CG TYR A 40 6.232 5.463 2.088 1.00 0.00 C ATOM 613 CD1 TYR A 40 5.787 5.429 3.401 1.00 0.00 C ATOM 614 CD2 TYR A 40 5.383 5.894 1.079 1.00 0.00 C ATOM 615 CE1 TYR A 40 4.498 5.823 3.704 1.00 0.00 C ATOM 616 CE2 TYR A 40 4.094 6.289 1.381 1.00 0.00 C ATOM 617 CZ TYR A 40 3.653 6.252 2.701 1.00 0.00 C ATOM 618 OH TYR A 40 2.369 6.645 3.002 1.00 0.00 O ATOM 0 H TYR A 40 8.776 7.341 0.996 1.00 0.00 H new ATOM 0 HA TYR A 40 8.516 5.852 3.539 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.793 5.110 0.679 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.763 3.981 2.019 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.448 5.094 4.187 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.730 5.921 0.057 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.151 5.795 4.727 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.432 6.625 0.597 1.00 0.00 H new ATOM 0 HH TYR A 40 2.328 6.942 3.935 1.00 0.00 H new ATOM 628 N ASN A 41 11.067 6.040 1.882 1.00 0.00 N ATOM 629 CA ASN A 41 12.409 5.556 1.588 1.00 0.00 C ATOM 630 C ASN A 41 13.338 5.747 2.781 1.00 0.00 C ATOM 631 O ASN A 41 13.562 6.870 3.231 1.00 0.00 O ATOM 632 CB ASN A 41 12.970 6.246 0.359 1.00 0.00 C ATOM 633 CG ASN A 41 14.308 5.697 -0.054 1.00 0.00 C ATOM 634 OD1 ASN A 41 15.285 5.781 0.698 1.00 0.00 O ATOM 635 ND2 ASN A 41 14.369 5.136 -1.234 1.00 0.00 N ATOM 0 H ASN A 41 10.951 7.048 1.777 1.00 0.00 H new ATOM 0 HA ASN A 41 12.341 4.487 1.384 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.267 6.137 -0.467 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.065 7.313 0.558 1.00 0.00 H new ATOM 0 HD21 ASN A 41 15.250 4.745 -1.568 1.00 0.00 H new ATOM 0 HD22 ASN A 41 13.536 5.090 -1.820 1.00 0.00 H new ATOM 642 N GLY A 42 13.876 4.642 3.288 1.00 0.00 N ATOM 643 CA GLY A 42 14.794 4.688 4.420 1.00 0.00 C ATOM 644 C GLY A 42 14.041 4.615 5.742 1.00 0.00 C ATOM 645 O GLY A 42 14.634 4.749 6.812 1.00 0.00 O ATOM 0 H GLY A 42 13.692 3.704 2.933 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.499 3.860 4.354 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.378 5.608 4.381 1.00 0.00 H new ATOM 649 N LEU A 43 12.733 4.401 5.661 1.00 0.00 N ATOM 650 CA LEU A 43 11.897 4.310 6.851 1.00 0.00 C ATOM 651 C LEU A 43 11.939 2.909 7.449 1.00 0.00 C ATOM 652 O LEU A 43 12.411 1.966 6.813 1.00 0.00 O ATOM 653 CB LEU A 43 10.448 4.682 6.511 1.00 0.00 C ATOM 654 CG LEU A 43 10.090 6.166 6.665 1.00 0.00 C ATOM 655 CD1 LEU A 43 10.844 6.982 5.624 1.00 0.00 C ATOM 656 CD2 LEU A 43 8.586 6.344 6.514 1.00 0.00 C ATOM 0 H LEU A 43 12.228 4.287 4.782 1.00 0.00 H new ATOM 0 HA LEU A 43 12.289 5.011 7.588 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.247 4.383 5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.783 4.099 7.148 1.00 0.00 H new ATOM 0 HG LEU A 43 10.381 6.518 7.655 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.589 8.036 5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.917 6.851 5.766 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.566 6.644 4.626 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.332 7.398 6.623 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.276 5.996 5.529 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.072 5.765 7.282 1.00 0.00 H new ATOM 668 N THR A 44 11.445 2.779 8.676 1.00 0.00 N ATOM 669 CA THR A 44 11.361 1.481 9.335 1.00 0.00 C ATOM 670 C THR A 44 9.931 1.165 9.750 1.00 0.00 C ATOM 671 O THR A 44 9.073 2.047 9.777 1.00 0.00 O ATOM 672 CB THR A 44 12.283 1.426 10.568 1.00 0.00 C ATOM 673 OG1 THR A 44 11.822 2.358 11.554 1.00 0.00 O ATOM 674 CG2 THR A 44 13.714 1.768 10.180 1.00 0.00 C ATOM 0 H THR A 44 11.096 3.558 9.235 1.00 0.00 H new ATOM 0 HA THR A 44 11.689 0.731 8.615 1.00 0.00 H new ATOM 0 HB THR A 44 12.261 0.415 10.976 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.408 2.321 12.339 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.351 1.724 11.063 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.071 1.052 9.439 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.747 2.773 9.759 1.00 0.00 H new ATOM 682 N PHE A 45 9.679 -0.099 10.075 1.00 0.00 N ATOM 683 CA PHE A 45 8.395 -0.507 10.629 1.00 0.00 C ATOM 684 C PHE A 45 8.369 -0.338 12.143 1.00 0.00 C ATOM 685 O PHE A 45 9.113 -1.002 12.864 1.00 0.00 O ATOM 686 CB PHE A 45 8.095 -1.964 10.270 1.00 0.00 C ATOM 687 CG PHE A 45 7.618 -2.153 8.857 1.00 0.00 C ATOM 688 CD1 PHE A 45 8.522 -2.377 7.829 1.00 0.00 C ATOM 689 CD2 PHE A 45 6.266 -2.105 8.554 1.00 0.00 C ATOM 690 CE1 PHE A 45 8.084 -2.551 6.530 1.00 0.00 C ATOM 691 CE2 PHE A 45 5.825 -2.281 7.258 1.00 0.00 C ATOM 692 CZ PHE A 45 6.736 -2.504 6.243 1.00 0.00 C ATOM 0 H PHE A 45 10.350 -0.859 9.963 1.00 0.00 H new ATOM 0 HA PHE A 45 7.629 0.136 10.195 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.995 -2.559 10.423 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.339 -2.349 10.954 1.00 0.00 H new ATOM 0 HD1 PHE A 45 9.579 -2.416 8.046 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.549 -1.928 9.342 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.798 -2.724 5.739 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.768 -2.244 7.037 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.393 -2.641 5.228 1.00 0.00 H new ATOM 702 N HIS A 46 7.510 0.556 12.619 1.00 0.00 N ATOM 703 CA HIS A 46 7.470 0.903 14.035 1.00 0.00 C ATOM 704 C HIS A 46 7.276 -0.336 14.899 1.00 0.00 C ATOM 705 O HIS A 46 7.982 -0.532 15.888 1.00 0.00 O ATOM 706 CB HIS A 46 6.348 1.909 14.314 1.00 0.00 C ATOM 707 CG HIS A 46 6.188 2.244 15.765 1.00 0.00 C ATOM 708 ND1 HIS A 46 7.056 3.081 16.435 1.00 0.00 N ATOM 709 CD2 HIS A 46 5.264 1.854 16.673 1.00 0.00 C ATOM 710 CE1 HIS A 46 6.670 3.193 17.694 1.00 0.00 C ATOM 711 NE2 HIS A 46 5.587 2.458 17.864 1.00 0.00 N ATOM 0 H HIS A 46 6.831 1.055 12.044 1.00 0.00 H new ATOM 0 HA HIS A 46 8.427 1.358 14.290 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.547 2.825 13.758 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.408 1.506 13.937 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.429 1.192 16.495 1.00 0.00 H new ATOM 0 HE1 HIS A 46 7.158 3.785 18.454 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.073 2.355 18.739 1.00 0.00 H new ATOM 718 N ARG A 47 6.313 -1.170 14.522 1.00 0.00 N ATOM 719 CA ARG A 47 6.008 -2.380 15.275 1.00 0.00 C ATOM 720 C ARG A 47 5.278 -3.399 14.409 1.00 0.00 C ATOM 721 O ARG A 47 4.195 -3.127 13.891 1.00 0.00 O ATOM 722 CB ARG A 47 5.156 -2.053 16.492 1.00 0.00 C ATOM 723 CG ARG A 47 4.945 -3.210 17.455 1.00 0.00 C ATOM 724 CD ARG A 47 4.204 -2.785 18.671 1.00 0.00 C ATOM 725 NE ARG A 47 3.936 -3.903 19.561 1.00 0.00 N ATOM 726 CZ ARG A 47 3.440 -3.786 20.809 1.00 0.00 C ATOM 727 NH1 ARG A 47 3.166 -2.597 21.298 1.00 0.00 N ATOM 728 NH2 ARG A 47 3.232 -4.866 21.541 1.00 0.00 N ATOM 0 H ARG A 47 5.729 -1.029 13.697 1.00 0.00 H new ATOM 0 HA ARG A 47 6.955 -2.810 15.600 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.622 -1.229 17.033 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.182 -1.700 16.152 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.394 -4.006 16.953 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.911 -3.624 17.744 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.782 -2.028 19.202 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.263 -2.320 18.378 1.00 0.00 H new ATOM 0 HE ARG A 47 4.137 -4.842 19.217 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.329 -1.763 20.733 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.791 -2.508 22.242 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.447 -5.788 21.162 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.857 -4.778 22.485 1.00 0.00 H new ATOM 742 N VAL A 48 5.879 -4.575 14.254 1.00 0.00 N ATOM 743 CA VAL A 48 5.260 -5.658 13.501 1.00 0.00 C ATOM 744 C VAL A 48 4.680 -6.716 14.433 1.00 0.00 C ATOM 745 O VAL A 48 5.400 -7.319 15.228 1.00 0.00 O ATOM 746 CB VAL A 48 6.291 -6.315 12.564 1.00 0.00 C ATOM 747 CG1 VAL A 48 5.648 -7.444 11.773 1.00 0.00 C ATOM 748 CG2 VAL A 48 6.881 -5.269 11.630 1.00 0.00 C ATOM 0 H VAL A 48 6.795 -4.801 14.641 1.00 0.00 H new ATOM 0 HA VAL A 48 4.450 -5.230 12.911 1.00 0.00 H new ATOM 0 HB VAL A 48 7.095 -6.740 13.164 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.391 -7.897 11.116 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.264 -8.197 12.461 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.828 -7.048 11.174 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.609 -5.740 10.970 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.085 -4.824 11.033 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.372 -4.493 12.217 1.00 0.00 H new ATOM 758 N ILE A 49 3.374 -6.936 14.328 1.00 0.00 N ATOM 759 CA ILE A 49 2.700 -7.947 15.134 1.00 0.00 C ATOM 760 C ILE A 49 2.122 -9.052 14.260 1.00 0.00 C ATOM 761 O ILE A 49 1.030 -8.913 13.709 1.00 0.00 O ATOM 762 CB ILE A 49 1.578 -7.318 15.979 1.00 0.00 C ATOM 763 CG1 ILE A 49 2.135 -6.196 16.858 1.00 0.00 C ATOM 764 CG2 ILE A 49 0.897 -8.378 16.832 1.00 0.00 C ATOM 765 CD1 ILE A 49 1.071 -5.369 17.541 1.00 0.00 C ATOM 0 H ILE A 49 2.760 -6.427 13.692 1.00 0.00 H new ATOM 0 HA ILE A 49 3.445 -8.381 15.800 1.00 0.00 H new ATOM 0 HB ILE A 49 0.836 -6.890 15.305 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.786 -6.631 17.616 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.753 -5.540 16.245 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.106 -7.916 17.423 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.467 -9.144 16.186 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.629 -8.834 17.498 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.544 -4.595 18.145 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.434 -4.904 16.789 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.467 -6.011 18.182 1.00 0.00 H new ATOM 777 N PRO A 50 2.859 -10.151 14.139 1.00 0.00 N ATOM 778 CA PRO A 50 2.425 -11.279 13.322 1.00 0.00 C ATOM 779 C PRO A 50 1.042 -11.759 13.739 1.00 0.00 C ATOM 780 O PRO A 50 0.802 -12.050 14.911 1.00 0.00 O ATOM 781 CB PRO A 50 3.498 -12.337 13.598 1.00 0.00 C ATOM 782 CG PRO A 50 4.719 -11.544 13.921 1.00 0.00 C ATOM 783 CD PRO A 50 4.204 -10.370 14.710 1.00 0.00 C ATOM 0 HA PRO A 50 2.332 -11.036 12.264 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.214 -12.986 14.426 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.657 -12.978 12.731 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.432 -12.130 14.501 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.233 -11.220 13.016 1.00 0.00 H new ATOM 0 HD2 PRO A 50 4.159 -10.589 15.777 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.841 -9.493 14.591 1.00 0.00 H new ATOM 791 N GLY A 51 0.133 -11.841 12.773 1.00 0.00 N ATOM 792 CA GLY A 51 -1.200 -12.379 13.018 1.00 0.00 C ATOM 793 C GLY A 51 -2.148 -11.296 13.515 1.00 0.00 C ATOM 794 O GLY A 51 -3.257 -11.586 13.966 1.00 0.00 O ATOM 0 H GLY A 51 0.296 -11.541 11.812 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.593 -12.817 12.100 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.142 -13.181 13.754 1.00 0.00 H new ATOM 798 N PHE A 52 -1.706 -10.045 13.431 1.00 0.00 N ATOM 799 CA PHE A 52 -2.557 -8.908 13.761 1.00 0.00 C ATOM 800 C PHE A 52 -2.384 -7.780 12.752 1.00 0.00 C ATOM 801 O PHE A 52 -3.131 -7.684 11.778 1.00 0.00 O ATOM 802 CB PHE A 52 -2.241 -8.394 15.167 1.00 0.00 C ATOM 803 CG PHE A 52 -3.165 -7.307 15.635 1.00 0.00 C ATOM 804 CD1 PHE A 52 -4.400 -7.117 15.033 1.00 0.00 C ATOM 805 CD2 PHE A 52 -2.801 -6.469 16.680 1.00 0.00 C ATOM 806 CE1 PHE A 52 -5.251 -6.117 15.463 1.00 0.00 C ATOM 807 CE2 PHE A 52 -3.650 -5.469 17.113 1.00 0.00 C ATOM 808 CZ PHE A 52 -4.876 -5.293 16.504 1.00 0.00 C ATOM 0 H PHE A 52 -0.762 -9.793 13.137 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.592 -9.248 13.726 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.290 -9.227 15.868 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.217 -8.021 15.186 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.700 -7.759 14.218 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.843 -6.600 17.160 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.209 -5.980 14.984 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.354 -4.825 17.928 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.541 -4.512 16.842 1.00 0.00 H new ATOM 818 N VAL A 53 -1.394 -6.926 12.991 1.00 0.00 N ATOM 819 CA VAL A 53 -1.095 -5.826 12.082 1.00 0.00 C ATOM 820 C VAL A 53 0.400 -5.533 12.045 1.00 0.00 C ATOM 821 O VAL A 53 1.126 -5.837 12.993 1.00 0.00 O ATOM 822 CB VAL A 53 -1.853 -4.557 12.512 1.00 0.00 C ATOM 823 CG1 VAL A 53 -3.353 -4.750 12.345 1.00 0.00 C ATOM 824 CG2 VAL A 53 -1.511 -4.213 13.954 1.00 0.00 C ATOM 0 H VAL A 53 -0.785 -6.975 13.808 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.417 -6.124 11.084 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.546 -3.729 11.874 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.873 -3.843 12.654 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.579 -4.960 11.299 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.683 -5.586 12.962 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.051 -3.314 14.251 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.798 -5.040 14.603 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.439 -4.038 14.042 1.00 0.00 H new ATOM 834 N SER A 54 0.854 -4.941 10.946 1.00 0.00 N ATOM 835 CA SER A 54 2.213 -4.419 10.864 1.00 0.00 C ATOM 836 C SER A 54 2.211 -2.908 10.663 1.00 0.00 C ATOM 837 O SER A 54 1.840 -2.414 9.599 1.00 0.00 O ATOM 838 CB SER A 54 2.961 -5.087 9.726 1.00 0.00 C ATOM 839 OG SER A 54 4.231 -4.519 9.557 1.00 0.00 O ATOM 0 H SER A 54 0.301 -4.811 10.099 1.00 0.00 H new ATOM 0 HA SER A 54 2.715 -4.639 11.806 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.060 -6.154 9.928 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.389 -4.989 8.803 1.00 0.00 H new ATOM 0 HG SER A 54 4.694 -4.967 8.819 1.00 0.00 H new ATOM 845 N GLN A 55 2.629 -2.180 11.694 1.00 0.00 N ATOM 846 CA GLN A 55 2.536 -0.725 11.691 1.00 0.00 C ATOM 847 C GLN A 55 3.861 -0.090 11.291 1.00 0.00 C ATOM 848 O GLN A 55 4.905 -0.387 11.873 1.00 0.00 O ATOM 849 CB GLN A 55 2.106 -0.213 13.068 1.00 0.00 C ATOM 850 CG GLN A 55 1.918 1.292 13.142 1.00 0.00 C ATOM 851 CD GLN A 55 1.403 1.747 14.495 1.00 0.00 C ATOM 852 OE1 GLN A 55 1.091 0.926 15.362 1.00 0.00 O ATOM 853 NE2 GLN A 55 1.313 3.058 14.683 1.00 0.00 N ATOM 0 H GLN A 55 3.035 -2.575 12.542 1.00 0.00 H new ATOM 0 HA GLN A 55 1.784 -0.441 10.955 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.171 -0.699 13.348 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.853 -0.511 13.804 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.868 1.784 12.934 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.220 1.606 12.366 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.582 3.700 13.937 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.975 3.424 15.573 1.00 0.00 H new ATOM 862 N GLY A 56 3.814 0.786 10.293 1.00 0.00 N ATOM 863 CA GLY A 56 5.014 1.453 9.802 1.00 0.00 C ATOM 864 C GLY A 56 5.416 2.605 10.714 1.00 0.00 C ATOM 865 O GLY A 56 4.631 3.049 11.552 1.00 0.00 O ATOM 0 H GLY A 56 2.957 1.051 9.808 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.831 0.735 9.737 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.838 1.828 8.794 1.00 0.00 H new ATOM 869 N GLY A 57 6.644 3.085 10.547 1.00 0.00 N ATOM 870 CA GLY A 57 7.149 4.193 11.348 1.00 0.00 C ATOM 871 C GLY A 57 6.896 5.529 10.662 1.00 0.00 C ATOM 872 O GLY A 57 5.776 5.820 10.243 1.00 0.00 O ATOM 0 H GLY A 57 7.308 2.723 9.863 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.668 4.187 12.326 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.218 4.065 11.517 1.00 0.00 H new ATOM 876 N CYS A 58 7.943 6.339 10.552 1.00 0.00 N ATOM 877 CA CYS A 58 7.833 7.654 9.931 1.00 0.00 C ATOM 878 C CYS A 58 9.201 8.191 9.532 1.00 0.00 C ATOM 879 O CYS A 58 10.230 7.707 10.003 1.00 0.00 O ATOM 880 CB CYS A 58 7.160 8.644 10.883 1.00 0.00 C ATOM 881 SG CYS A 58 8.101 8.972 12.392 1.00 0.00 S ATOM 0 H CYS A 58 8.879 6.108 10.885 1.00 0.00 H new ATOM 0 HA CYS A 58 7.224 7.542 9.034 1.00 0.00 H new ATOM 0 HB2 CYS A 58 6.998 9.585 10.357 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.178 8.258 11.156 1.00 0.00 H new ATOM 0 HG CYS A 58 7.728 10.110 12.897 1.00 0.00 H new ATOM 887 N PRO A 59 9.206 9.194 8.660 1.00 0.00 N ATOM 888 CA PRO A 59 10.448 9.792 8.187 1.00 0.00 C ATOM 889 C PRO A 59 11.299 10.289 9.350 1.00 0.00 C ATOM 890 O PRO A 59 12.528 10.288 9.277 1.00 0.00 O ATOM 891 CB PRO A 59 9.961 10.950 7.310 1.00 0.00 C ATOM 892 CG PRO A 59 8.631 10.497 6.813 1.00 0.00 C ATOM 893 CD PRO A 59 8.019 9.777 7.984 1.00 0.00 C ATOM 0 HA PRO A 59 11.087 9.091 7.649 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.879 11.875 7.881 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.649 11.143 6.487 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.016 11.340 6.499 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.732 9.838 5.950 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.473 10.457 8.638 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.316 9.008 7.665 1.00 0.00 H new ATOM 901 N ARG A 60 10.637 10.711 10.422 1.00 0.00 N ATOM 902 CA ARG A 60 11.328 11.262 11.581 1.00 0.00 C ATOM 903 C ARG A 60 11.965 10.160 12.418 1.00 0.00 C ATOM 904 O ARG A 60 12.958 10.387 13.109 1.00 0.00 O ATOM 905 CB ARG A 60 10.366 12.062 12.448 1.00 0.00 C ATOM 906 CG ARG A 60 9.807 13.316 11.794 1.00 0.00 C ATOM 907 CD ARG A 60 10.842 14.373 11.660 1.00 0.00 C ATOM 908 NE ARG A 60 11.367 14.785 12.952 1.00 0.00 N ATOM 909 CZ ARG A 60 10.812 15.730 13.737 1.00 0.00 C ATOM 910 NH1 ARG A 60 9.720 16.348 13.347 1.00 0.00 N ATOM 911 NH2 ARG A 60 11.366 16.034 14.898 1.00 0.00 N ATOM 0 H ARG A 60 9.621 10.682 10.512 1.00 0.00 H new ATOM 0 HA ARG A 60 12.114 11.920 11.211 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.535 11.417 12.733 1.00 0.00 H new ATOM 0 HB3 ARG A 60 10.879 12.347 13.367 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.411 13.067 10.809 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.974 13.695 12.386 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.658 14.006 11.037 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.415 15.236 11.150 1.00 0.00 H new ATOM 0 HE ARG A 60 12.214 14.327 13.288 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.293 16.113 12.451 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.299 17.063 13.940 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.214 15.554 15.200 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.946 16.749 15.492 1.00 0.00 H new ATOM 925 N GLY A 61 11.389 8.964 12.351 1.00 0.00 N ATOM 926 CA GLY A 61 11.870 7.836 13.139 1.00 0.00 C ATOM 927 C GLY A 61 11.466 7.974 14.601 1.00 0.00 C ATOM 928 O GLY A 61 11.996 7.280 15.469 1.00 0.00 O ATOM 0 H GLY A 61 10.587 8.751 11.758 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.467 6.908 12.734 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.956 7.773 13.063 1.00 0.00 H new ATOM 932 N ASN A 62 10.525 8.873 14.869 1.00 0.00 N ATOM 933 CA ASN A 62 10.067 9.122 16.230 1.00 0.00 C ATOM 934 C ASN A 62 8.730 8.443 16.495 1.00 0.00 C ATOM 935 O ASN A 62 8.217 8.476 17.613 1.00 0.00 O ATOM 936 CB ASN A 62 9.972 10.612 16.498 1.00 0.00 C ATOM 937 CG ASN A 62 11.319 11.280 16.536 1.00 0.00 C ATOM 938 OD1 ASN A 62 12.322 10.660 16.906 1.00 0.00 O ATOM 939 ND2 ASN A 62 11.360 12.533 16.161 1.00 0.00 N ATOM 0 H ASN A 62 10.064 9.442 14.159 1.00 0.00 H new ATOM 0 HA ASN A 62 10.801 8.694 16.913 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.361 11.078 15.725 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.463 10.775 17.448 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.246 13.038 16.166 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.506 13.004 15.863 1.00 0.00 H new ATOM 946 N GLY A 63 8.169 7.828 15.459 1.00 0.00 N ATOM 947 CA GLY A 63 6.881 7.153 15.574 1.00 0.00 C ATOM 948 C GLY A 63 5.741 8.067 15.144 1.00 0.00 C ATOM 949 O GLY A 63 4.600 7.628 15.005 1.00 0.00 O ATOM 0 H GLY A 63 8.586 7.783 14.529 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.882 6.254 14.958 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.726 6.833 16.604 1.00 0.00 H new ATOM 953 N THR A 64 6.056 9.341 14.937 1.00 0.00 N ATOM 954 CA THR A 64 5.050 10.329 14.568 1.00 0.00 C ATOM 955 C THR A 64 5.313 10.890 13.176 1.00 0.00 C ATOM 956 O THR A 64 6.372 11.461 12.917 1.00 0.00 O ATOM 957 CB THR A 64 5.002 11.480 15.590 1.00 0.00 C ATOM 958 OG1 THR A 64 4.668 10.961 16.883 1.00 0.00 O ATOM 959 CG2 THR A 64 3.964 12.515 15.179 1.00 0.00 C ATOM 0 H THR A 64 7.002 9.714 15.019 1.00 0.00 H new ATOM 0 HA THR A 64 4.085 9.821 14.564 1.00 0.00 H new ATOM 0 HB THR A 64 5.982 11.956 15.625 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.640 11.694 17.532 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.944 13.321 15.912 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.222 12.921 14.201 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.982 12.045 15.129 1.00 0.00 H new ATOM 967 N GLY A 65 4.342 10.725 12.284 1.00 0.00 N ATOM 968 CA GLY A 65 4.480 11.187 10.908 1.00 0.00 C ATOM 969 C GLY A 65 4.671 12.696 10.849 1.00 0.00 C ATOM 970 O GLY A 65 4.094 13.436 11.648 1.00 0.00 O ATOM 0 H GLY A 65 3.450 10.274 12.490 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.330 10.692 10.439 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.594 10.908 10.338 1.00 0.00 H new ATOM 974 N ASP A 66 5.482 13.150 9.900 1.00 0.00 N ATOM 975 CA ASP A 66 5.756 14.573 9.741 1.00 0.00 C ATOM 976 C ASP A 66 6.057 14.916 8.287 1.00 0.00 C ATOM 977 O ASP A 66 6.946 15.719 8.000 1.00 0.00 O ATOM 978 CB ASP A 66 6.931 14.996 10.626 1.00 0.00 C ATOM 979 CG ASP A 66 6.995 16.501 10.846 1.00 0.00 C ATOM 980 OD1 ASP A 66 6.012 17.160 10.601 1.00 0.00 O ATOM 981 OD2 ASP A 66 8.026 16.978 11.256 1.00 0.00 O ATOM 0 H ASP A 66 5.962 12.552 9.228 1.00 0.00 H new ATOM 0 HA ASP A 66 4.863 15.118 10.047 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.851 14.496 11.591 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.862 14.661 10.170 1.00 0.00 H new ATOM 986 N ALA A 67 5.312 14.304 7.373 1.00 0.00 N ATOM 987 CA ALA A 67 5.481 14.564 5.948 1.00 0.00 C ATOM 988 C ALA A 67 4.765 15.842 5.532 1.00 0.00 C ATOM 989 O ALA A 67 5.152 16.494 4.563 1.00 0.00 O ATOM 990 CB ALA A 67 4.975 13.384 5.131 1.00 0.00 C ATOM 0 H ALA A 67 4.585 13.624 7.594 1.00 0.00 H new ATOM 0 HA ALA A 67 6.545 14.697 5.754 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.108 13.593 4.069 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.537 12.489 5.398 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.917 13.224 5.340 1.00 0.00 H new ATOM 996 N GLY A 68 3.718 16.195 6.271 1.00 0.00 N ATOM 997 CA GLY A 68 2.910 17.364 5.946 1.00 0.00 C ATOM 998 C GLY A 68 1.679 16.977 5.140 1.00 0.00 C ATOM 999 O GLY A 68 0.826 17.816 4.849 1.00 0.00 O ATOM 0 H GLY A 68 3.409 15.687 7.100 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.604 17.864 6.865 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.509 18.077 5.380 1.00 0.00 H new ATOM 1003 N TYR A 69 1.591 15.700 4.779 1.00 0.00 N ATOM 1004 CA TYR A 69 0.474 15.204 3.984 1.00 0.00 C ATOM 1005 C TYR A 69 -0.726 14.879 4.864 1.00 0.00 C ATOM 1006 O TYR A 69 -1.091 13.714 5.028 1.00 0.00 O ATOM 1007 CB TYR A 69 0.895 13.970 3.183 1.00 0.00 C ATOM 1008 CG TYR A 69 1.806 14.281 2.017 1.00 0.00 C ATOM 1009 CD1 TYR A 69 3.060 14.829 2.243 1.00 0.00 C ATOM 1010 CD2 TYR A 69 1.389 14.019 0.721 1.00 0.00 C ATOM 1011 CE1 TYR A 69 3.894 15.113 1.179 1.00 0.00 C ATOM 1012 CE2 TYR A 69 2.222 14.303 -0.345 1.00 0.00 C ATOM 1013 CZ TYR A 69 3.469 14.848 -0.118 1.00 0.00 C ATOM 1014 OH TYR A 69 4.299 15.132 -1.179 1.00 0.00 O ATOM 0 H TYR A 69 2.281 14.990 5.025 1.00 0.00 H new ATOM 0 HA TYR A 69 0.180 15.991 3.290 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.399 13.270 3.850 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.002 13.468 2.811 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.385 15.034 3.252 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.413 13.593 0.544 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.871 15.539 1.354 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.897 14.098 -1.354 1.00 0.00 H new ATOM 0 HH TYR A 69 3.854 14.887 -2.017 1.00 0.00 H new ATOM 1024 N THR A 70 -1.339 15.914 5.427 1.00 0.00 N ATOM 1025 CA THR A 70 -2.574 15.754 6.186 1.00 0.00 C ATOM 1026 C THR A 70 -3.785 15.715 5.264 1.00 0.00 C ATOM 1027 O THR A 70 -4.136 16.716 4.640 1.00 0.00 O ATOM 1028 CB THR A 70 -2.744 16.888 7.214 1.00 0.00 C ATOM 1029 OG1 THR A 70 -1.627 16.891 8.113 1.00 0.00 O ATOM 1030 CG2 THR A 70 -4.027 16.700 8.008 1.00 0.00 C ATOM 0 H THR A 70 -1.000 16.875 5.372 1.00 0.00 H new ATOM 0 HA THR A 70 -2.506 14.804 6.717 1.00 0.00 H new ATOM 0 HB THR A 70 -2.794 17.837 6.681 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.735 17.614 8.766 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.130 17.510 8.729 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.880 16.708 7.329 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.992 15.747 8.536 1.00 0.00 H new ATOM 1038 N ILE A 71 -4.424 14.552 5.183 1.00 0.00 N ATOM 1039 CA ILE A 71 -5.467 14.318 4.192 1.00 0.00 C ATOM 1040 C ILE A 71 -6.777 13.913 4.858 1.00 0.00 C ATOM 1041 O ILE A 71 -6.786 13.428 5.988 1.00 0.00 O ATOM 1042 CB ILE A 71 -5.042 13.229 3.192 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -4.820 11.897 3.914 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -3.782 13.651 2.449 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -4.611 10.724 2.983 1.00 0.00 C ATOM 0 H ILE A 71 -4.237 13.756 5.793 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.619 15.254 3.655 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.842 13.097 2.464 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.952 11.989 4.567 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.680 11.693 4.552 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.495 12.869 1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.973 14.576 1.905 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.974 13.810 3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.461 9.817 3.569 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.488 10.604 2.347 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.734 10.904 2.362 1.00 0.00 H new ATOM 1057 N PRO A 72 -7.882 14.117 4.148 1.00 0.00 N ATOM 1058 CA PRO A 72 -9.194 13.715 4.642 1.00 0.00 C ATOM 1059 C PRO A 72 -9.363 12.203 4.586 1.00 0.00 C ATOM 1060 O PRO A 72 -8.616 11.510 3.895 1.00 0.00 O ATOM 1061 CB PRO A 72 -10.156 14.428 3.685 1.00 0.00 C ATOM 1062 CG PRO A 72 -9.401 14.510 2.402 1.00 0.00 C ATOM 1063 CD PRO A 72 -7.980 14.781 2.820 1.00 0.00 C ATOM 0 HA PRO A 72 -9.362 13.979 5.686 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -11.085 13.871 3.566 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -10.424 15.418 4.054 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.478 13.582 1.835 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.786 15.306 1.764 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -7.265 14.366 2.109 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -7.778 15.850 2.889 1.00 0.00 H new ATOM 1071 N CYS A 73 -10.351 11.695 5.316 1.00 0.00 N ATOM 1072 CA CYS A 73 -10.642 10.266 5.323 1.00 0.00 C ATOM 1073 C CYS A 73 -11.738 9.923 4.321 1.00 0.00 C ATOM 1074 O CYS A 73 -12.660 10.708 4.101 1.00 0.00 O ATOM 1075 CB CYS A 73 -11.073 9.813 6.718 1.00 0.00 C ATOM 1076 SG CYS A 73 -9.779 9.956 7.973 1.00 0.00 S ATOM 0 H CYS A 73 -10.964 12.253 5.911 1.00 0.00 H new ATOM 0 HA CYS A 73 -9.729 9.744 5.038 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -11.934 10.404 7.030 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -11.401 8.775 6.666 1.00 0.00 H new ATOM 0 HG CYS A 73 -10.240 9.551 9.119 1.00 0.00 H new ATOM 1082 N GLU A 74 -11.631 8.744 3.717 1.00 0.00 N ATOM 1083 CA GLU A 74 -12.515 8.363 2.621 1.00 0.00 C ATOM 1084 C GLU A 74 -13.622 7.433 3.105 1.00 0.00 C ATOM 1085 O GLU A 74 -14.540 7.104 2.355 1.00 0.00 O ATOM 1086 CB GLU A 74 -11.719 7.684 1.505 1.00 0.00 C ATOM 1087 CG GLU A 74 -10.615 8.547 0.908 1.00 0.00 C ATOM 1088 CD GLU A 74 -11.111 9.886 0.437 1.00 0.00 C ATOM 1089 OE1 GLU A 74 -12.013 9.918 -0.363 1.00 0.00 O ATOM 1090 OE2 GLU A 74 -10.584 10.881 0.879 1.00 0.00 O ATOM 0 H GLU A 74 -10.941 8.036 3.968 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.974 9.272 2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.277 6.768 1.896 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -12.406 7.392 0.710 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.834 8.696 1.653 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.160 8.018 0.070 1.00 0.00 H new ATOM 1097 N THR A 75 -13.526 7.013 4.362 1.00 0.00 N ATOM 1098 CA THR A 75 -14.476 6.060 4.924 1.00 0.00 C ATOM 1099 C THR A 75 -15.779 6.745 5.316 1.00 0.00 C ATOM 1100 O THR A 75 -16.753 6.087 5.679 1.00 0.00 O ATOM 1101 CB THR A 75 -13.881 5.341 6.149 1.00 0.00 C ATOM 1102 OG1 THR A 75 -13.622 6.295 7.187 1.00 0.00 O ATOM 1103 CG2 THR A 75 -12.584 4.638 5.777 1.00 0.00 C ATOM 0 H THR A 75 -12.800 7.317 5.011 1.00 0.00 H new ATOM 0 HA THR A 75 -14.688 5.322 4.150 1.00 0.00 H new ATOM 0 HB THR A 75 -14.598 4.598 6.499 1.00 0.00 H new ATOM 0 HG1 THR A 75 -13.875 5.913 8.053 1.00 0.00 H new ATOM 0 HG21 THR A 75 -12.178 4.135 6.655 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.779 3.903 4.996 1.00 0.00 H new ATOM 0 HG23 THR A 75 -11.864 5.371 5.413 1.00 0.00 H new ATOM 1111 N ASP A 76 -15.789 8.072 5.242 1.00 0.00 N ATOM 1112 CA ASP A 76 -17.000 8.844 5.491 1.00 0.00 C ATOM 1113 C ASP A 76 -17.977 8.724 4.328 1.00 0.00 C ATOM 1114 O ASP A 76 -19.187 8.859 4.507 1.00 0.00 O ATOM 1115 CB ASP A 76 -16.658 10.317 5.727 1.00 0.00 C ATOM 1116 CG ASP A 76 -16.036 10.569 7.095 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -16.074 9.682 7.916 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -15.529 11.644 7.305 1.00 0.00 O ATOM 0 H ASP A 76 -14.971 8.635 5.011 1.00 0.00 H new ATOM 0 HA ASP A 76 -17.473 8.438 6.385 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -15.969 10.653 4.952 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -17.564 10.915 5.629 1.00 0.00 H new ATOM 1123 N ASN A 77 -17.445 8.471 3.138 1.00 0.00 N ATOM 1124 CA ASN A 77 -18.271 8.316 1.946 1.00 0.00 C ATOM 1125 C ASN A 77 -18.128 6.920 1.354 1.00 0.00 C ATOM 1126 O ASN A 77 -18.972 6.477 0.575 1.00 0.00 O ATOM 1127 CB ASN A 77 -17.922 9.372 0.915 1.00 0.00 C ATOM 1128 CG ASN A 77 -18.167 10.770 1.412 1.00 0.00 C ATOM 1129 OD1 ASN A 77 -19.317 11.184 1.596 1.00 0.00 O ATOM 1130 ND2 ASN A 77 -17.107 11.505 1.633 1.00 0.00 N ATOM 0 H ASN A 77 -16.444 8.369 2.972 1.00 0.00 H new ATOM 0 HA ASN A 77 -19.312 8.449 2.240 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -16.874 9.269 0.635 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -18.511 9.203 0.013 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -17.211 12.462 1.971 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -16.177 11.121 1.467 1.00 0.00 H new ATOM 1137 N ASN A 78 -17.057 6.231 1.729 1.00 0.00 N ATOM 1138 CA ASN A 78 -16.815 4.873 1.258 1.00 0.00 C ATOM 1139 C ASN A 78 -16.110 4.037 2.318 1.00 0.00 C ATOM 1140 O ASN A 78 -14.903 3.813 2.245 1.00 0.00 O ATOM 1141 CB ASN A 78 -16.012 4.889 -0.030 1.00 0.00 C ATOM 1142 CG ASN A 78 -15.854 3.520 -0.631 1.00 0.00 C ATOM 1143 OD1 ASN A 78 -16.673 2.625 -0.390 1.00 0.00 O ATOM 1144 ND2 ASN A 78 -14.817 3.339 -1.408 1.00 0.00 N ATOM 0 H ASN A 78 -16.341 6.592 2.359 1.00 0.00 H new ATOM 0 HA ASN A 78 -17.782 4.412 1.058 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -16.502 5.544 -0.751 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -15.026 5.311 0.166 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -14.658 2.430 -1.843 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -14.167 4.107 -1.579 1.00 0.00 H new ATOM 1151 N PRO A 79 -16.873 3.579 3.306 1.00 0.00 N ATOM 1152 CA PRO A 79 -16.320 2.775 4.389 1.00 0.00 C ATOM 1153 C PRO A 79 -15.521 1.596 3.848 1.00 0.00 C ATOM 1154 O PRO A 79 -15.919 0.959 2.873 1.00 0.00 O ATOM 1155 CB PRO A 79 -17.569 2.310 5.145 1.00 0.00 C ATOM 1156 CG PRO A 79 -18.556 3.406 4.927 1.00 0.00 C ATOM 1157 CD PRO A 79 -18.317 3.850 3.509 1.00 0.00 C ATOM 0 HA PRO A 79 -15.621 3.324 5.020 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -17.937 1.359 4.759 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -17.362 2.165 6.205 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -19.578 3.053 5.066 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -18.403 4.224 5.631 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -18.934 3.293 2.804 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -18.551 4.906 3.373 1.00 0.00 H new ATOM 1165 N HIS A 80 -14.392 1.311 4.486 1.00 0.00 N ATOM 1166 CA HIS A 80 -13.492 0.263 4.020 1.00 0.00 C ATOM 1167 C HIS A 80 -13.375 -0.860 5.044 1.00 0.00 C ATOM 1168 O HIS A 80 -13.327 -0.611 6.249 1.00 0.00 O ATOM 1169 CB HIS A 80 -12.102 0.835 3.721 1.00 0.00 C ATOM 1170 CG HIS A 80 -12.087 1.824 2.597 1.00 0.00 C ATOM 1171 ND1 HIS A 80 -11.341 2.983 2.636 1.00 0.00 N ATOM 1172 CD2 HIS A 80 -12.729 1.829 1.406 1.00 0.00 C ATOM 1173 CE1 HIS A 80 -11.522 3.657 1.514 1.00 0.00 C ATOM 1174 NE2 HIS A 80 -12.360 2.978 0.751 1.00 0.00 N ATOM 0 H HIS A 80 -14.078 1.792 5.329 1.00 0.00 H new ATOM 0 HA HIS A 80 -13.914 -0.146 3.102 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -11.715 1.314 4.620 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -11.425 0.015 3.481 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -13.405 1.071 1.039 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -11.063 4.602 1.263 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.681 3.261 -0.175 1.00 0.00 H new ATOM 1181 N ARG A 81 -13.331 -2.095 4.557 1.00 0.00 N ATOM 1182 CA ARG A 81 -13.162 -3.254 5.425 1.00 0.00 C ATOM 1183 C ARG A 81 -11.687 -3.588 5.615 1.00 0.00 C ATOM 1184 O ARG A 81 -10.875 -3.393 4.711 1.00 0.00 O ATOM 1185 CB ARG A 81 -13.883 -4.465 4.848 1.00 0.00 C ATOM 1186 CG ARG A 81 -15.395 -4.330 4.772 1.00 0.00 C ATOM 1187 CD ARG A 81 -16.020 -4.395 6.118 1.00 0.00 C ATOM 1188 NE ARG A 81 -17.471 -4.327 6.046 1.00 0.00 N ATOM 1189 CZ ARG A 81 -18.294 -4.398 7.110 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -17.796 -4.540 8.319 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -19.603 -4.325 6.939 1.00 0.00 N ATOM 0 H ARG A 81 -13.410 -2.319 3.565 1.00 0.00 H new ATOM 0 HA ARG A 81 -13.594 -3.004 6.394 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.499 -4.656 3.846 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -13.640 -5.338 5.454 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -15.653 -3.384 4.296 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.800 -5.123 4.144 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -15.724 -5.321 6.611 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -15.648 -3.574 6.731 1.00 0.00 H new ATOM 0 HE ARG A 81 -17.895 -4.218 5.125 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -16.786 -4.596 8.451 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -18.420 -4.594 9.124 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -19.990 -4.215 6.002 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -20.226 -4.379 7.745 1.00 0.00 H new ATOM 1205 N HIS A 82 -11.348 -4.095 6.796 1.00 0.00 N ATOM 1206 CA HIS A 82 -9.967 -4.434 7.116 1.00 0.00 C ATOM 1207 C HIS A 82 -9.797 -5.938 7.293 1.00 0.00 C ATOM 1208 O HIS A 82 -10.212 -6.503 8.306 1.00 0.00 O ATOM 1209 CB HIS A 82 -9.511 -3.709 8.386 1.00 0.00 C ATOM 1210 CG HIS A 82 -9.407 -2.224 8.226 1.00 0.00 C ATOM 1211 ND1 HIS A 82 -10.513 -1.410 8.101 1.00 0.00 N ATOM 1212 CD2 HIS A 82 -8.328 -1.407 8.170 1.00 0.00 C ATOM 1213 CE1 HIS A 82 -10.119 -0.154 7.976 1.00 0.00 C ATOM 1214 NE2 HIS A 82 -8.799 -0.126 8.015 1.00 0.00 N ATOM 0 H HIS A 82 -12.012 -4.280 7.548 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.347 -4.110 6.280 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -10.211 -3.931 9.192 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.541 -4.102 8.690 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -11.483 -1.727 8.104 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -7.292 -1.706 8.235 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -10.766 0.703 7.862 1.00 0.00 H new ATOM 1221 N VAL A 83 -9.186 -6.580 6.305 1.00 0.00 N ATOM 1222 CA VAL A 83 -8.993 -8.025 6.333 1.00 0.00 C ATOM 1223 C VAL A 83 -7.544 -8.395 6.039 1.00 0.00 C ATOM 1224 O VAL A 83 -6.707 -7.523 5.807 1.00 0.00 O ATOM 1225 CB VAL A 83 -9.913 -8.707 5.302 1.00 0.00 C ATOM 1226 CG1 VAL A 83 -11.374 -8.451 5.641 1.00 0.00 C ATOM 1227 CG2 VAL A 83 -9.587 -8.204 3.905 1.00 0.00 C ATOM 0 H VAL A 83 -8.815 -6.122 5.473 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.245 -8.373 7.335 1.00 0.00 H new ATOM 0 HB VAL A 83 -9.743 -9.783 5.333 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -12.010 -8.940 4.903 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.593 -8.851 6.631 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -11.567 -7.378 5.633 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.241 -8.690 3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.737 -7.125 3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.548 -8.435 3.668 1.00 0.00 H new ATOM 1237 N THR A 84 -7.255 -9.691 6.049 1.00 0.00 N ATOM 1238 CA THR A 84 -5.908 -10.178 5.779 1.00 0.00 C ATOM 1239 C THR A 84 -5.391 -9.658 4.444 1.00 0.00 C ATOM 1240 O THR A 84 -5.962 -9.945 3.392 1.00 0.00 O ATOM 1241 CB THR A 84 -5.863 -11.717 5.786 1.00 0.00 C ATOM 1242 OG1 THR A 84 -6.343 -12.205 7.047 1.00 0.00 O ATOM 1243 CG2 THR A 84 -4.441 -12.211 5.563 1.00 0.00 C ATOM 0 H THR A 84 -7.937 -10.425 6.242 1.00 0.00 H new ATOM 0 HA THR A 84 -5.264 -9.803 6.575 1.00 0.00 H new ATOM 0 HB THR A 84 -6.495 -12.088 4.979 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.691 -11.996 7.748 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.429 -13.301 5.571 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.078 -11.851 4.600 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.796 -11.835 6.358 1.00 0.00 H new ATOM 1251 N GLY A 85 -4.308 -8.890 4.493 1.00 0.00 N ATOM 1252 CA GLY A 85 -3.660 -8.401 3.282 1.00 0.00 C ATOM 1253 C GLY A 85 -3.895 -6.908 3.095 1.00 0.00 C ATOM 1254 O GLY A 85 -3.136 -6.232 2.402 1.00 0.00 O ATOM 0 H GLY A 85 -3.860 -8.592 5.360 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.589 -8.599 3.334 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.043 -8.943 2.417 1.00 0.00 H new ATOM 1258 N ALA A 86 -4.951 -6.397 3.720 1.00 0.00 N ATOM 1259 CA ALA A 86 -5.383 -5.023 3.498 1.00 0.00 C ATOM 1260 C ALA A 86 -4.310 -4.032 3.936 1.00 0.00 C ATOM 1261 O ALA A 86 -3.614 -4.253 4.926 1.00 0.00 O ATOM 1262 CB ALA A 86 -6.685 -4.751 4.236 1.00 0.00 C ATOM 0 H ALA A 86 -5.524 -6.916 4.386 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.550 -4.891 2.429 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.994 -3.721 4.060 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.457 -5.429 3.873 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.537 -4.908 5.304 1.00 0.00 H new ATOM 1268 N MET A 87 -4.183 -2.940 3.190 1.00 0.00 N ATOM 1269 CA MET A 87 -3.288 -1.853 3.571 1.00 0.00 C ATOM 1270 C MET A 87 -4.066 -0.577 3.868 1.00 0.00 C ATOM 1271 O MET A 87 -4.699 -0.004 2.980 1.00 0.00 O ATOM 1272 CB MET A 87 -2.259 -1.605 2.470 1.00 0.00 C ATOM 1273 CG MET A 87 -1.314 -2.772 2.216 1.00 0.00 C ATOM 1274 SD MET A 87 -0.187 -2.467 0.841 1.00 0.00 S ATOM 1275 CE MET A 87 0.933 -1.281 1.578 1.00 0.00 C ATOM 0 H MET A 87 -4.688 -2.784 2.318 1.00 0.00 H new ATOM 0 HA MET A 87 -2.767 -2.148 4.482 1.00 0.00 H new ATOM 0 HB2 MET A 87 -2.785 -1.371 1.544 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.669 -0.727 2.732 1.00 0.00 H new ATOM 0 HG2 MET A 87 -0.735 -2.969 3.118 1.00 0.00 H new ATOM 0 HG3 MET A 87 -1.898 -3.669 2.010 1.00 0.00 H new ATOM 0 HE1 MET A 87 1.778 -1.115 0.910 1.00 0.00 H new ATOM 0 HE2 MET A 87 0.409 -0.339 1.742 1.00 0.00 H new ATOM 0 HE3 MET A 87 1.294 -1.666 2.532 1.00 0.00 H new ATOM 1285 N SER A 88 -4.017 -0.139 5.120 1.00 0.00 N ATOM 1286 CA SER A 88 -4.846 0.971 5.577 1.00 0.00 C ATOM 1287 C SER A 88 -3.997 2.078 6.188 1.00 0.00 C ATOM 1288 O SER A 88 -3.117 1.818 7.009 1.00 0.00 O ATOM 1289 CB SER A 88 -5.861 0.481 6.591 1.00 0.00 C ATOM 1290 OG SER A 88 -6.674 1.531 7.037 1.00 0.00 O ATOM 0 H SER A 88 -3.411 -0.536 5.838 1.00 0.00 H new ATOM 0 HA SER A 88 -5.368 1.380 4.712 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.479 -0.298 6.144 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.345 0.031 7.439 1.00 0.00 H new ATOM 0 HG SER A 88 -7.552 1.179 7.292 1.00 0.00 H new ATOM 1296 N MET A 89 -4.266 3.315 5.783 1.00 0.00 N ATOM 1297 CA MET A 89 -3.519 4.463 6.281 1.00 0.00 C ATOM 1298 C MET A 89 -4.028 4.903 7.647 1.00 0.00 C ATOM 1299 O MET A 89 -5.226 4.832 7.926 1.00 0.00 O ATOM 1300 CB MET A 89 -3.600 5.618 5.284 1.00 0.00 C ATOM 1301 CG MET A 89 -2.693 6.796 5.611 1.00 0.00 C ATOM 1302 SD MET A 89 -2.667 8.037 4.301 1.00 0.00 S ATOM 1303 CE MET A 89 -1.468 7.322 3.182 1.00 0.00 C ATOM 0 H MET A 89 -4.997 3.548 5.110 1.00 0.00 H new ATOM 0 HA MET A 89 -2.477 4.165 6.394 1.00 0.00 H new ATOM 0 HB2 MET A 89 -3.346 5.244 4.292 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.630 5.970 5.238 1.00 0.00 H new ATOM 0 HG2 MET A 89 -3.027 7.260 6.539 1.00 0.00 H new ATOM 0 HG3 MET A 89 -1.680 6.433 5.782 1.00 0.00 H new ATOM 0 HE1 MET A 89 -1.342 7.975 2.319 1.00 0.00 H new ATOM 0 HE2 MET A 89 -0.513 7.210 3.695 1.00 0.00 H new ATOM 0 HE3 MET A 89 -1.818 6.345 2.850 1.00 0.00 H new ATOM 1313 N ALA A 90 -3.114 5.357 8.497 1.00 0.00 N ATOM 1314 CA ALA A 90 -3.457 5.734 9.863 1.00 0.00 C ATOM 1315 C ALA A 90 -3.815 7.213 9.953 1.00 0.00 C ATOM 1316 O ALA A 90 -3.380 8.017 9.130 1.00 0.00 O ATOM 1317 CB ALA A 90 -2.309 5.409 10.806 1.00 0.00 C ATOM 0 H ALA A 90 -2.128 5.473 8.263 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.332 5.157 10.162 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.580 5.696 11.822 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.104 4.339 10.774 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.419 5.959 10.499 1.00 0.00 H new ATOM 1323 N HIS A 91 -4.610 7.563 10.958 1.00 0.00 N ATOM 1324 CA HIS A 91 -5.001 8.950 11.178 1.00 0.00 C ATOM 1325 C HIS A 91 -5.034 9.285 12.663 1.00 0.00 C ATOM 1326 O HIS A 91 -4.938 8.398 13.512 1.00 0.00 O ATOM 1327 CB HIS A 91 -6.372 9.231 10.554 1.00 0.00 C ATOM 1328 CG HIS A 91 -7.475 8.398 11.128 1.00 0.00 C ATOM 1329 ND1 HIS A 91 -7.928 8.549 12.421 1.00 0.00 N ATOM 1330 CD2 HIS A 91 -8.216 7.403 10.584 1.00 0.00 C ATOM 1331 CE1 HIS A 91 -8.902 7.684 12.648 1.00 0.00 C ATOM 1332 NE2 HIS A 91 -9.094 6.977 11.550 1.00 0.00 N ATOM 0 H HIS A 91 -4.997 6.904 11.634 1.00 0.00 H new ATOM 0 HA HIS A 91 -4.254 9.582 10.697 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -6.615 10.285 10.691 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -6.316 9.054 9.480 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.132 7.017 9.579 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -9.447 7.575 13.574 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.784 6.234 11.437 1.00 0.00 H new ATOM 1339 N ARG A 92 -5.171 10.570 12.972 1.00 0.00 N ATOM 1340 CA ARG A 92 -5.289 11.017 14.355 1.00 0.00 C ATOM 1341 C ARG A 92 -6.685 11.556 14.642 1.00 0.00 C ATOM 1342 O ARG A 92 -6.859 12.439 15.482 1.00 0.00 O ATOM 1343 CB ARG A 92 -4.260 12.095 14.659 1.00 0.00 C ATOM 1344 CG ARG A 92 -2.812 11.664 14.491 1.00 0.00 C ATOM 1345 CD ARG A 92 -2.436 10.610 15.468 1.00 0.00 C ATOM 1346 NE ARG A 92 -2.662 11.037 16.840 1.00 0.00 N ATOM 1347 CZ ARG A 92 -2.514 10.248 17.921 1.00 0.00 C ATOM 1348 NH1 ARG A 92 -2.143 8.996 17.774 1.00 0.00 N ATOM 1349 NH2 ARG A 92 -2.744 10.732 19.129 1.00 0.00 N ATOM 0 H ARG A 92 -5.203 11.321 12.282 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.108 10.153 14.995 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.447 12.949 14.008 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.405 12.437 15.684 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.658 11.293 13.478 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.158 12.527 14.617 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.014 9.707 15.269 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -1.385 10.351 15.337 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.953 12.002 16.994 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -1.967 8.622 16.841 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -2.031 8.398 18.593 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.034 11.703 19.243 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.632 10.134 19.948 1.00 0.00 H new ATOM 1363 N GLY A 93 -7.676 11.021 13.938 1.00 0.00 N ATOM 1364 CA GLY A 93 -9.046 11.509 14.050 1.00 0.00 C ATOM 1365 C GLY A 93 -9.708 11.611 12.682 1.00 0.00 C ATOM 1366 O GLY A 93 -9.123 11.229 11.669 1.00 0.00 O ATOM 0 H GLY A 93 -7.556 10.248 13.283 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.623 10.838 14.687 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.048 12.487 14.532 1.00 0.00 H new ATOM 1370 N ARG A 94 -10.931 12.130 12.659 1.00 0.00 N ATOM 1371 CA ARG A 94 -11.683 12.264 11.418 1.00 0.00 C ATOM 1372 C ARG A 94 -11.012 13.248 10.470 1.00 0.00 C ATOM 1373 O ARG A 94 -10.646 14.355 10.866 1.00 0.00 O ATOM 1374 CB ARG A 94 -13.106 12.726 11.701 1.00 0.00 C ATOM 1375 CG ARG A 94 -14.022 12.757 10.488 1.00 0.00 C ATOM 1376 CD ARG A 94 -15.401 13.170 10.852 1.00 0.00 C ATOM 1377 NE ARG A 94 -16.306 13.100 9.715 1.00 0.00 N ATOM 1378 CZ ARG A 94 -17.597 13.484 9.741 1.00 0.00 C ATOM 1379 NH1 ARG A 94 -18.120 13.962 10.849 1.00 0.00 N ATOM 1380 NH2 ARG A 94 -18.339 13.380 8.651 1.00 0.00 N ATOM 0 H ARG A 94 -11.423 12.465 13.487 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.708 11.283 10.944 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.544 12.068 12.452 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -13.069 13.725 12.135 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.620 13.446 9.746 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -14.048 11.770 10.026 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -15.773 12.529 11.652 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.384 14.188 11.241 1.00 0.00 H new ATOM 0 HE ARG A 94 -15.937 12.735 8.837 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.548 14.042 11.690 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.098 14.252 10.868 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -17.934 13.009 7.792 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.317 13.671 8.670 1.00 0.00 H new ATOM 1394 N ASP A 95 -10.853 12.840 9.216 1.00 0.00 N ATOM 1395 CA ASP A 95 -10.221 13.685 8.210 1.00 0.00 C ATOM 1396 C ASP A 95 -8.869 14.196 8.689 1.00 0.00 C ATOM 1397 O ASP A 95 -8.520 15.356 8.471 1.00 0.00 O ATOM 1398 CB ASP A 95 -11.125 14.869 7.859 1.00 0.00 C ATOM 1399 CG ASP A 95 -12.347 14.461 7.047 1.00 0.00 C ATOM 1400 OD1 ASP A 95 -12.355 13.369 6.530 1.00 0.00 O ATOM 1401 OD2 ASP A 95 -13.261 15.246 6.953 1.00 0.00 O ATOM 0 H ASP A 95 -11.154 11.928 8.872 1.00 0.00 H new ATOM 0 HA ASP A 95 -10.064 13.077 7.319 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -11.452 15.355 8.778 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -10.550 15.604 7.296 1.00 0.00 H new ATOM 1406 N THR A 96 -8.110 13.322 9.344 1.00 0.00 N ATOM 1407 CA THR A 96 -6.784 13.676 9.836 1.00 0.00 C ATOM 1408 C THR A 96 -5.774 12.576 9.542 1.00 0.00 C ATOM 1409 O THR A 96 -5.030 12.149 10.425 1.00 0.00 O ATOM 1410 CB THR A 96 -6.813 13.961 11.348 1.00 0.00 C ATOM 1411 OG1 THR A 96 -7.805 14.956 11.632 1.00 0.00 O ATOM 1412 CG2 THR A 96 -5.455 14.455 11.825 1.00 0.00 C ATOM 0 H THR A 96 -8.392 12.363 9.546 1.00 0.00 H new ATOM 0 HA THR A 96 -6.477 14.581 9.312 1.00 0.00 H new ATOM 0 HB THR A 96 -7.056 13.036 11.871 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.694 14.601 11.422 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.495 14.651 12.896 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.700 13.695 11.623 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.196 15.373 11.297 1.00 0.00 H new ATOM 1420 N GLY A 97 -5.752 12.118 8.294 1.00 0.00 N ATOM 1421 CA GLY A 97 -4.875 11.024 7.894 1.00 0.00 C ATOM 1422 C GLY A 97 -3.449 11.513 7.678 1.00 0.00 C ATOM 1423 O GLY A 97 -3.230 12.612 7.168 1.00 0.00 O ATOM 0 H GLY A 97 -6.333 12.489 7.542 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.884 10.248 8.660 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.250 10.571 6.976 1.00 0.00 H new ATOM 1427 N SER A 98 -2.482 10.691 8.069 1.00 0.00 N ATOM 1428 CA SER A 98 -1.075 11.069 7.989 1.00 0.00 C ATOM 1429 C SER A 98 -0.360 10.302 6.884 1.00 0.00 C ATOM 1430 O SER A 98 -0.994 9.623 6.076 1.00 0.00 O ATOM 1431 CB SER A 98 -0.391 10.817 9.317 1.00 0.00 C ATOM 1432 OG SER A 98 -0.243 9.444 9.553 1.00 0.00 O ATOM 0 H SER A 98 -2.646 9.757 8.445 1.00 0.00 H new ATOM 0 HA SER A 98 -1.025 12.132 7.753 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.587 11.298 9.323 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.973 11.267 10.121 1.00 0.00 H new ATOM 0 HG SER A 98 0.202 9.306 10.415 1.00 0.00 H new ATOM 1438 N CYS A 99 0.963 10.413 6.856 1.00 0.00 N ATOM 1439 CA CYS A 99 1.775 9.659 5.908 1.00 0.00 C ATOM 1440 C CYS A 99 2.043 8.247 6.412 1.00 0.00 C ATOM 1441 O CYS A 99 2.648 7.433 5.714 1.00 0.00 O ATOM 1442 CB CYS A 99 3.107 10.367 5.658 1.00 0.00 C ATOM 1443 SG CYS A 99 4.163 10.492 7.121 1.00 0.00 S ATOM 0 H CYS A 99 1.497 11.019 7.480 1.00 0.00 H new ATOM 0 HA CYS A 99 1.215 9.599 4.975 1.00 0.00 H new ATOM 0 HB2 CYS A 99 3.649 9.834 4.877 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.908 11.370 5.280 1.00 0.00 H new ATOM 0 HG CYS A 99 5.392 10.701 6.752 1.00 0.00 H new ATOM 1449 N GLN A 100 1.590 7.962 7.628 1.00 0.00 N ATOM 1450 CA GLN A 100 1.811 6.659 8.242 1.00 0.00 C ATOM 1451 C GLN A 100 0.681 5.694 7.911 1.00 0.00 C ATOM 1452 O GLN A 100 -0.468 6.103 7.741 1.00 0.00 O ATOM 1453 CB GLN A 100 1.951 6.799 9.761 1.00 0.00 C ATOM 1454 CG GLN A 100 3.082 7.712 10.200 1.00 0.00 C ATOM 1455 CD GLN A 100 3.217 7.782 11.709 1.00 0.00 C ATOM 1456 OE1 GLN A 100 2.532 8.567 12.372 1.00 0.00 O ATOM 1457 NE2 GLN A 100 4.102 6.961 12.263 1.00 0.00 N ATOM 0 H GLN A 100 1.067 8.618 8.208 1.00 0.00 H new ATOM 0 HA GLN A 100 2.737 6.253 7.835 1.00 0.00 H new ATOM 0 HB2 GLN A 100 1.014 7.179 10.168 1.00 0.00 H new ATOM 0 HB3 GLN A 100 2.108 5.811 10.193 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.019 7.357 9.770 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.910 8.714 9.807 1.00 0.00 H new ATOM 0 HE21 GLN A 100 4.647 6.328 11.677 1.00 0.00 H new ATOM 0 HE22 GLN A 100 4.236 6.963 13.274 1.00 0.00 H new ATOM 1466 N PHE A 101 1.012 4.410 7.822 1.00 0.00 N ATOM 1467 CA PHE A 101 0.026 3.385 7.498 1.00 0.00 C ATOM 1468 C PHE A 101 0.356 2.068 8.189 1.00 0.00 C ATOM 1469 O PHE A 101 1.415 1.923 8.798 1.00 0.00 O ATOM 1470 CB PHE A 101 -0.044 3.171 5.985 1.00 0.00 C ATOM 1471 CG PHE A 101 1.163 2.482 5.415 1.00 0.00 C ATOM 1472 CD1 PHE A 101 2.296 3.204 5.075 1.00 0.00 C ATOM 1473 CD2 PHE A 101 1.166 1.110 5.215 1.00 0.00 C ATOM 1474 CE1 PHE A 101 3.406 2.573 4.549 1.00 0.00 C ATOM 1475 CE2 PHE A 101 2.275 0.475 4.689 1.00 0.00 C ATOM 1476 CZ PHE A 101 3.396 1.206 4.356 1.00 0.00 C ATOM 0 H PHE A 101 1.956 4.054 7.970 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.944 3.730 7.857 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.931 2.583 5.751 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.164 4.138 5.496 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.311 4.274 5.223 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.292 0.531 5.473 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.282 3.149 4.289 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.264 -0.594 4.539 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.263 0.711 3.945 1.00 0.00 H new ATOM 1486 N PHE A 102 -0.559 1.109 8.089 1.00 0.00 N ATOM 1487 CA PHE A 102 -0.353 -0.210 8.674 1.00 0.00 C ATOM 1488 C PHE A 102 -0.973 -1.300 7.810 1.00 0.00 C ATOM 1489 O PHE A 102 -1.968 -1.070 7.122 1.00 0.00 O ATOM 1490 CB PHE A 102 -0.949 -0.269 10.082 1.00 0.00 C ATOM 1491 CG PHE A 102 -2.428 -0.014 10.126 1.00 0.00 C ATOM 1492 CD1 PHE A 102 -2.922 1.277 10.230 1.00 0.00 C ATOM 1493 CD2 PHE A 102 -3.330 -1.067 10.060 1.00 0.00 C ATOM 1494 CE1 PHE A 102 -4.283 1.513 10.271 1.00 0.00 C ATOM 1495 CE2 PHE A 102 -4.692 -0.833 10.099 1.00 0.00 C ATOM 1496 CZ PHE A 102 -5.168 0.456 10.205 1.00 0.00 C ATOM 0 H PHE A 102 -1.451 1.221 7.608 1.00 0.00 H new ATOM 0 HA PHE A 102 0.722 -0.383 8.730 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.746 -1.250 10.511 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -0.445 0.465 10.711 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -2.235 2.109 10.280 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -2.964 -2.080 9.977 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -4.654 2.524 10.355 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -5.383 -1.661 10.046 1.00 0.00 H new ATOM 0 HZ PHE A 102 -6.232 0.639 10.236 1.00 0.00 H new ATOM 1506 N ILE A 103 -0.381 -2.488 7.849 1.00 0.00 N ATOM 1507 CA ILE A 103 -0.834 -3.599 7.020 1.00 0.00 C ATOM 1508 C ILE A 103 -1.554 -4.651 7.855 1.00 0.00 C ATOM 1509 O ILE A 103 -0.982 -5.214 8.788 1.00 0.00 O ATOM 1510 CB ILE A 103 0.347 -4.251 6.279 1.00 0.00 C ATOM 1511 CG1 ILE A 103 1.076 -3.214 5.420 1.00 0.00 C ATOM 1512 CG2 ILE A 103 -0.138 -5.411 5.423 1.00 0.00 C ATOM 1513 CD1 ILE A 103 2.354 -3.728 4.797 1.00 0.00 C ATOM 0 H ILE A 103 0.416 -2.707 8.447 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.532 -3.193 6.288 1.00 0.00 H new ATOM 0 HB ILE A 103 1.048 -4.640 7.017 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.407 -2.877 4.628 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.307 -2.344 6.035 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.710 -5.861 4.906 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.614 -6.158 6.058 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.858 -5.046 4.690 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.813 -2.937 4.204 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.043 -4.039 5.583 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.129 -4.579 4.155 1.00 0.00 H new ATOM 1525 N VAL A 104 -2.811 -4.911 7.515 1.00 0.00 N ATOM 1526 CA VAL A 104 -3.648 -5.810 8.301 1.00 0.00 C ATOM 1527 C VAL A 104 -3.348 -7.267 7.973 1.00 0.00 C ATOM 1528 O VAL A 104 -3.278 -7.650 6.805 1.00 0.00 O ATOM 1529 CB VAL A 104 -5.137 -5.523 8.035 1.00 0.00 C ATOM 1530 CG1 VAL A 104 -6.013 -6.499 8.807 1.00 0.00 C ATOM 1531 CG2 VAL A 104 -5.464 -4.087 8.415 1.00 0.00 C ATOM 0 H VAL A 104 -3.274 -4.511 6.699 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.425 -5.636 9.354 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.339 -5.656 6.972 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -7.062 -6.282 8.608 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.787 -7.518 8.493 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.818 -6.397 9.875 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.519 -3.891 8.224 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -5.252 -3.933 9.473 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.855 -3.406 7.821 1.00 0.00 H new ATOM 1541 N HIS A 105 -3.170 -8.077 9.011 1.00 0.00 N ATOM 1542 CA HIS A 105 -2.929 -9.504 8.837 1.00 0.00 C ATOM 1543 C HIS A 105 -4.091 -10.330 9.373 1.00 0.00 C ATOM 1544 O HIS A 105 -4.335 -11.447 8.917 1.00 0.00 O ATOM 1545 CB HIS A 105 -1.632 -9.924 9.538 1.00 0.00 C ATOM 1546 CG HIS A 105 -0.408 -9.270 8.977 1.00 0.00 C ATOM 1547 ND1 HIS A 105 0.024 -9.484 7.686 1.00 0.00 N ATOM 1548 CD2 HIS A 105 0.478 -8.409 9.533 1.00 0.00 C ATOM 1549 CE1 HIS A 105 1.124 -8.780 7.470 1.00 0.00 C ATOM 1550 NE2 HIS A 105 1.418 -8.121 8.576 1.00 0.00 N ATOM 0 H HIS A 105 -3.188 -7.769 9.983 1.00 0.00 H new ATOM 0 HA HIS A 105 -2.834 -9.691 7.767 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -1.708 -9.684 10.599 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -1.522 -11.006 9.463 1.00 0.00 H new ATOM 0 HD1 HIS A 105 -0.432 -10.090 7.004 1.00 0.00 H new ATOM 0 HD2 HIS A 105 0.450 -8.022 10.541 1.00 0.00 H new ATOM 0 HE1 HIS A 105 1.685 -8.750 6.548 1.00 0.00 H new ATOM 1557 N GLU A 106 -4.808 -9.772 10.343 1.00 0.00 N ATOM 1558 CA GLU A 106 -6.027 -10.393 10.848 1.00 0.00 C ATOM 1559 C GLU A 106 -7.220 -9.455 10.713 1.00 0.00 C ATOM 1560 O GLU A 106 -7.163 -8.299 11.129 1.00 0.00 O ATOM 1561 CB GLU A 106 -5.851 -10.800 12.314 1.00 0.00 C ATOM 1562 CG GLU A 106 -7.064 -11.482 12.927 1.00 0.00 C ATOM 1563 CD GLU A 106 -6.841 -11.898 14.355 1.00 0.00 C ATOM 1564 OE1 GLU A 106 -5.974 -12.705 14.590 1.00 0.00 O ATOM 1565 OE2 GLU A 106 -7.540 -11.410 15.210 1.00 0.00 O ATOM 0 H GLU A 106 -4.566 -8.890 10.795 1.00 0.00 H new ATOM 0 HA GLU A 106 -6.220 -11.283 10.249 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -4.995 -11.470 12.392 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.615 -9.911 12.899 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -7.917 -10.806 12.880 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -7.320 -12.360 12.334 1.00 0.00 H new ATOM 1572 N PRO A 107 -8.300 -9.962 10.127 1.00 0.00 N ATOM 1573 CA PRO A 107 -9.521 -9.182 9.966 1.00 0.00 C ATOM 1574 C PRO A 107 -9.961 -8.568 11.289 1.00 0.00 C ATOM 1575 O PRO A 107 -10.031 -9.253 12.309 1.00 0.00 O ATOM 1576 CB PRO A 107 -10.529 -10.220 9.461 1.00 0.00 C ATOM 1577 CG PRO A 107 -9.695 -11.208 8.721 1.00 0.00 C ATOM 1578 CD PRO A 107 -8.432 -11.316 9.532 1.00 0.00 C ATOM 0 HA PRO A 107 -9.407 -8.336 9.288 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -11.065 -10.689 10.286 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -11.278 -9.765 8.812 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.199 -12.171 8.640 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -9.487 -10.871 7.706 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.509 -12.088 10.298 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -7.573 -11.569 8.910 1.00 0.00 H new ATOM 1586 N GLN A 108 -10.258 -7.273 11.265 1.00 0.00 N ATOM 1587 CA GLN A 108 -10.610 -6.545 12.478 1.00 0.00 C ATOM 1588 C GLN A 108 -11.830 -5.660 12.255 1.00 0.00 C ATOM 1589 O GLN A 108 -11.724 -4.567 11.699 1.00 0.00 O ATOM 1590 CB GLN A 108 -9.429 -5.695 12.955 1.00 0.00 C ATOM 1591 CG GLN A 108 -9.618 -5.086 14.334 1.00 0.00 C ATOM 1592 CD GLN A 108 -9.897 -6.131 15.396 1.00 0.00 C ATOM 1593 OE1 GLN A 108 -11.012 -6.227 15.915 1.00 0.00 O ATOM 1594 NE2 GLN A 108 -8.884 -6.924 15.726 1.00 0.00 N ATOM 0 H GLN A 108 -10.262 -6.706 10.417 1.00 0.00 H new ATOM 0 HA GLN A 108 -10.854 -7.278 13.246 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -8.531 -6.313 12.963 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -9.259 -4.894 12.236 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -8.723 -4.526 14.606 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -10.443 -4.374 14.303 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -7.978 -6.810 15.271 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -9.012 -7.647 16.434 1.00 0.00 H new ATOM 1603 N PRO A 109 -12.989 -6.140 12.692 1.00 0.00 N ATOM 1604 CA PRO A 109 -14.234 -5.397 12.534 1.00 0.00 C ATOM 1605 C PRO A 109 -14.129 -4.008 13.149 1.00 0.00 C ATOM 1606 O PRO A 109 -14.763 -3.062 12.682 1.00 0.00 O ATOM 1607 CB PRO A 109 -15.253 -6.269 13.277 1.00 0.00 C ATOM 1608 CG PRO A 109 -14.700 -7.649 13.169 1.00 0.00 C ATOM 1609 CD PRO A 109 -13.211 -7.468 13.299 1.00 0.00 C ATOM 0 HA PRO A 109 -14.504 -5.224 11.492 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -15.357 -5.962 14.318 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -16.242 -6.200 12.824 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -15.091 -8.296 13.954 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -14.963 -8.109 12.216 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -12.889 -7.496 14.340 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -12.661 -8.250 12.775 1.00 0.00 H new ATOM 1617 N HIS A 110 -13.325 -3.891 14.200 1.00 0.00 N ATOM 1618 CA HIS A 110 -13.244 -2.656 14.971 1.00 0.00 C ATOM 1619 C HIS A 110 -12.566 -1.551 14.172 1.00 0.00 C ATOM 1620 O HIS A 110 -12.701 -0.370 14.490 1.00 0.00 O ATOM 1621 CB HIS A 110 -12.488 -2.884 16.283 1.00 0.00 C ATOM 1622 CG HIS A 110 -13.245 -3.705 17.281 1.00 0.00 C ATOM 1623 ND1 HIS A 110 -13.211 -5.083 17.291 1.00 0.00 N ATOM 1624 CD2 HIS A 110 -14.059 -3.341 18.300 1.00 0.00 C ATOM 1625 CE1 HIS A 110 -13.970 -5.533 18.275 1.00 0.00 C ATOM 1626 NE2 HIS A 110 -14.496 -4.496 18.901 1.00 0.00 N ATOM 0 H HIS A 110 -12.719 -4.638 14.538 1.00 0.00 H new ATOM 0 HA HIS A 110 -14.263 -2.344 15.198 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -11.541 -3.377 16.065 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -12.250 -1.918 16.727 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -12.683 -5.665 16.641 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -14.316 -2.332 18.586 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -14.132 -6.571 18.524 1.00 0.00 H new ATOM 1633 N LEU A 111 -11.835 -1.942 13.133 1.00 0.00 N ATOM 1634 CA LEU A 111 -11.134 -0.985 12.286 1.00 0.00 C ATOM 1635 C LEU A 111 -11.977 -0.601 11.076 1.00 0.00 C ATOM 1636 O LEU A 111 -11.686 0.381 10.393 1.00 0.00 O ATOM 1637 CB LEU A 111 -9.796 -1.571 11.820 1.00 0.00 C ATOM 1638 CG LEU A 111 -8.769 -1.845 12.926 1.00 0.00 C ATOM 1639 CD1 LEU A 111 -7.524 -2.477 12.318 1.00 0.00 C ATOM 1640 CD2 LEU A 111 -8.429 -0.544 13.638 1.00 0.00 C ATOM 0 H LEU A 111 -11.713 -2.916 12.858 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.950 -0.087 12.876 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.993 -2.505 11.293 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.352 -0.885 11.099 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.185 -2.538 13.657 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.794 -2.672 13.104 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -7.793 -3.415 11.832 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -7.093 -1.797 11.583 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.699 -0.739 14.424 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -8.011 0.164 12.922 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.333 -0.123 14.079 1.00 0.00 H new ATOM 1652 N ASP A 112 -13.019 -1.381 10.815 1.00 0.00 N ATOM 1653 CA ASP A 112 -13.830 -1.202 9.616 1.00 0.00 C ATOM 1654 C ASP A 112 -14.505 0.163 9.606 1.00 0.00 C ATOM 1655 O ASP A 112 -15.230 0.514 10.537 1.00 0.00 O ATOM 1656 CB ASP A 112 -14.889 -2.303 9.516 1.00 0.00 C ATOM 1657 CG ASP A 112 -14.295 -3.670 9.203 1.00 0.00 C ATOM 1658 OD1 ASP A 112 -13.108 -3.746 8.993 1.00 0.00 O ATOM 1659 OD2 ASP A 112 -15.036 -4.624 9.176 1.00 0.00 O ATOM 0 H ASP A 112 -13.323 -2.145 11.418 1.00 0.00 H new ATOM 0 HA ASP A 112 -13.165 -1.265 8.755 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -15.439 -2.358 10.456 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -15.608 -2.039 8.741 1.00 0.00 H new ATOM 1664 N GLY A 113 -14.262 0.930 8.549 1.00 0.00 N ATOM 1665 CA GLY A 113 -14.888 2.237 8.391 1.00 0.00 C ATOM 1666 C GLY A 113 -14.158 3.299 9.204 1.00 0.00 C ATOM 1667 O GLY A 113 -14.517 4.476 9.170 1.00 0.00 O ATOM 0 H GLY A 113 -13.635 0.669 7.788 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -14.889 2.518 7.338 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -15.930 2.185 8.708 1.00 0.00 H new ATOM 1671 N VAL A 114 -13.132 2.876 9.935 1.00 0.00 N ATOM 1672 CA VAL A 114 -12.398 3.776 10.816 1.00 0.00 C ATOM 1673 C VAL A 114 -11.168 4.346 10.120 1.00 0.00 C ATOM 1674 O VAL A 114 -10.954 5.559 10.112 1.00 0.00 O ATOM 1675 CB VAL A 114 -11.962 3.034 12.094 1.00 0.00 C ATOM 1676 CG1 VAL A 114 -11.145 3.951 12.991 1.00 0.00 C ATOM 1677 CG2 VAL A 114 -13.186 2.511 12.830 1.00 0.00 C ATOM 0 H VAL A 114 -12.790 1.915 9.934 1.00 0.00 H new ATOM 0 HA VAL A 114 -13.063 4.598 11.079 1.00 0.00 H new ATOM 0 HB VAL A 114 -11.333 2.188 11.815 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -10.846 3.410 13.889 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -10.256 4.286 12.456 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -11.747 4.815 13.272 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -12.872 1.987 13.733 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -13.832 3.346 13.101 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -13.733 1.824 12.184 1.00 0.00 H new ATOM 1687 N HIS A 115 -10.362 3.465 9.539 1.00 0.00 N ATOM 1688 CA HIS A 115 -9.185 3.883 8.787 1.00 0.00 C ATOM 1689 C HIS A 115 -9.372 3.649 7.293 1.00 0.00 C ATOM 1690 O HIS A 115 -10.074 2.726 6.883 1.00 0.00 O ATOM 1691 CB HIS A 115 -7.938 3.137 9.274 1.00 0.00 C ATOM 1692 CG HIS A 115 -7.544 3.477 10.678 1.00 0.00 C ATOM 1693 ND1 HIS A 115 -6.713 4.536 10.981 1.00 0.00 N ATOM 1694 CD2 HIS A 115 -7.864 2.901 11.859 1.00 0.00 C ATOM 1695 CE1 HIS A 115 -6.540 4.595 12.290 1.00 0.00 C ATOM 1696 NE2 HIS A 115 -7.228 3.614 12.845 1.00 0.00 N ATOM 0 H HIS A 115 -10.502 2.455 9.574 1.00 0.00 H new ATOM 0 HA HIS A 115 -9.051 4.951 8.956 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -8.117 2.064 9.206 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -7.106 3.364 8.607 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -8.501 2.040 12.000 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -5.939 5.322 12.816 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -7.279 3.418 13.845 1.00 0.00 H new ATOM 1703 N THR A 116 -8.739 4.491 6.483 1.00 0.00 N ATOM 1704 CA THR A 116 -8.931 4.455 5.039 1.00 0.00 C ATOM 1705 C THR A 116 -8.009 3.433 4.387 1.00 0.00 C ATOM 1706 O THR A 116 -6.787 3.567 4.430 1.00 0.00 O ATOM 1707 CB THR A 116 -8.690 5.841 4.413 1.00 0.00 C ATOM 1708 OG1 THR A 116 -9.646 6.775 4.931 1.00 0.00 O ATOM 1709 CG2 THR A 116 -8.822 5.773 2.899 1.00 0.00 C ATOM 0 H THR A 116 -8.088 5.208 6.803 1.00 0.00 H new ATOM 0 HA THR A 116 -9.965 4.161 4.858 1.00 0.00 H new ATOM 0 HB THR A 116 -7.681 6.166 4.665 1.00 0.00 H new ATOM 0 HG1 THR A 116 -9.206 7.635 5.097 1.00 0.00 H new ATOM 0 HG21 THR A 116 -8.648 6.762 2.474 1.00 0.00 H new ATOM 0 HG22 THR A 116 -8.088 5.073 2.501 1.00 0.00 H new ATOM 0 HG23 THR A 116 -9.825 5.436 2.636 1.00 0.00 H new ATOM 1717 N VAL A 117 -8.604 2.409 3.781 1.00 0.00 N ATOM 1718 CA VAL A 117 -7.846 1.422 3.023 1.00 0.00 C ATOM 1719 C VAL A 117 -7.545 1.923 1.615 1.00 0.00 C ATOM 1720 O VAL A 117 -8.439 2.383 0.905 1.00 0.00 O ATOM 1721 CB VAL A 117 -8.627 0.098 2.937 1.00 0.00 C ATOM 1722 CG1 VAL A 117 -7.879 -0.907 2.074 1.00 0.00 C ATOM 1723 CG2 VAL A 117 -8.859 -0.457 4.334 1.00 0.00 C ATOM 0 H VAL A 117 -9.610 2.242 3.801 1.00 0.00 H new ATOM 0 HA VAL A 117 -6.903 1.256 3.545 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.594 0.287 2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -8.446 -1.837 2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -7.756 -0.503 1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -6.899 -1.102 2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.412 -1.394 4.266 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.899 -0.637 4.818 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -9.432 0.261 4.920 1.00 0.00 H new ATOM 1733 N PHE A 118 -6.281 1.830 1.217 1.00 0.00 N ATOM 1734 CA PHE A 118 -5.821 2.440 -0.024 1.00 0.00 C ATOM 1735 C PHE A 118 -5.251 1.394 -0.974 1.00 0.00 C ATOM 1736 O PHE A 118 -5.031 1.667 -2.154 1.00 0.00 O ATOM 1737 CB PHE A 118 -4.762 3.506 0.263 1.00 0.00 C ATOM 1738 CG PHE A 118 -3.540 2.976 0.957 1.00 0.00 C ATOM 1739 CD1 PHE A 118 -2.499 2.419 0.229 1.00 0.00 C ATOM 1740 CD2 PHE A 118 -3.429 3.031 2.337 1.00 0.00 C ATOM 1741 CE1 PHE A 118 -1.374 1.930 0.866 1.00 0.00 C ATOM 1742 CE2 PHE A 118 -2.305 2.544 2.976 1.00 0.00 C ATOM 1743 CZ PHE A 118 -1.277 1.993 2.239 1.00 0.00 C ATOM 0 H PHE A 118 -5.556 1.337 1.737 1.00 0.00 H new ATOM 0 HA PHE A 118 -6.682 2.908 -0.501 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -4.462 3.969 -0.677 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.206 4.290 0.877 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -2.568 2.367 -0.848 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -4.231 3.460 2.920 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -0.571 1.498 0.287 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -2.231 2.595 4.052 1.00 0.00 H new ATOM 0 HZ PHE A 118 -0.398 1.612 2.737 1.00 0.00 H new ATOM 1753 N GLY A 119 -5.012 0.196 -0.452 1.00 0.00 N ATOM 1754 CA GLY A 119 -4.467 -0.894 -1.253 1.00 0.00 C ATOM 1755 C GLY A 119 -4.429 -2.194 -0.459 1.00 0.00 C ATOM 1756 O GLY A 119 -5.028 -2.298 0.611 1.00 0.00 O ATOM 0 H GLY A 119 -5.187 -0.045 0.523 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -5.073 -1.029 -2.149 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -3.461 -0.638 -1.585 1.00 0.00 H new ATOM 1760 N GLN A 120 -3.720 -3.185 -0.991 1.00 0.00 N ATOM 1761 CA GLN A 120 -3.503 -4.438 -0.280 1.00 0.00 C ATOM 1762 C GLN A 120 -2.290 -5.180 -0.828 1.00 0.00 C ATOM 1763 O GLN A 120 -1.962 -5.065 -2.009 1.00 0.00 O ATOM 1764 CB GLN A 120 -4.745 -5.329 -0.370 1.00 0.00 C ATOM 1765 CG GLN A 120 -4.984 -5.924 -1.747 1.00 0.00 C ATOM 1766 CD GLN A 120 -6.158 -6.885 -1.767 1.00 0.00 C ATOM 1767 OE1 GLN A 120 -7.315 -6.471 -1.890 1.00 0.00 O ATOM 1768 NE2 GLN A 120 -5.869 -8.175 -1.643 1.00 0.00 N ATOM 0 H GLN A 120 -3.286 -3.143 -1.913 1.00 0.00 H new ATOM 0 HA GLN A 120 -3.314 -4.197 0.766 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -4.650 -6.140 0.353 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -5.619 -4.745 -0.082 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -5.164 -5.120 -2.461 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -4.085 -6.446 -2.075 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -4.899 -8.473 -1.544 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -6.617 -8.868 -1.647 1.00 0.00 H new ATOM 1777 N VAL A 121 -1.626 -5.940 0.037 1.00 0.00 N ATOM 1778 CA VAL A 121 -0.469 -6.729 -0.367 1.00 0.00 C ATOM 1779 C VAL A 121 -0.893 -7.984 -1.118 1.00 0.00 C ATOM 1780 O VAL A 121 -1.762 -8.728 -0.662 1.00 0.00 O ATOM 1781 CB VAL A 121 0.362 -7.128 0.866 1.00 0.00 C ATOM 1782 CG1 VAL A 121 1.532 -8.010 0.457 1.00 0.00 C ATOM 1783 CG2 VAL A 121 0.853 -5.881 1.586 1.00 0.00 C ATOM 0 H VAL A 121 -1.870 -6.026 1.024 1.00 0.00 H new ATOM 0 HA VAL A 121 0.136 -6.113 -1.032 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.269 -7.698 1.548 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.109 -8.283 1.341 1.00 0.00 H new ATOM 0 HG12 VAL A 121 1.156 -8.913 -0.024 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.171 -7.467 -0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.440 -6.171 2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.473 -5.291 0.911 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.002 -5.286 1.907 1.00 0.00 H new ATOM 1793 N THR A 122 -0.276 -8.215 -2.271 1.00 0.00 N ATOM 1794 CA THR A 122 -0.701 -9.284 -3.167 1.00 0.00 C ATOM 1795 C THR A 122 0.359 -10.374 -3.264 1.00 0.00 C ATOM 1796 O THR A 122 0.063 -11.510 -3.637 1.00 0.00 O ATOM 1797 CB THR A 122 -1.011 -8.739 -4.573 1.00 0.00 C ATOM 1798 OG1 THR A 122 0.172 -8.152 -5.134 1.00 0.00 O ATOM 1799 CG2 THR A 122 -2.110 -7.689 -4.507 1.00 0.00 C ATOM 0 H THR A 122 0.521 -7.675 -2.608 1.00 0.00 H new ATOM 0 HA THR A 122 -1.610 -9.714 -2.747 1.00 0.00 H new ATOM 0 HB THR A 122 -1.347 -9.565 -5.200 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.027 -7.807 -6.029 1.00 0.00 H new ATOM 0 HG21 THR A 122 -2.316 -7.315 -5.510 1.00 0.00 H new ATOM 0 HG22 THR A 122 -3.014 -8.135 -4.093 1.00 0.00 H new ATOM 0 HG23 THR A 122 -1.788 -6.864 -3.871 1.00 0.00 H new ATOM 1807 N SER A 123 1.595 -10.023 -2.926 1.00 0.00 N ATOM 1808 CA SER A 123 2.684 -10.992 -2.892 1.00 0.00 C ATOM 1809 C SER A 123 3.697 -10.644 -1.808 1.00 0.00 C ATOM 1810 O SER A 123 4.086 -9.485 -1.657 1.00 0.00 O ATOM 1811 CB SER A 123 3.374 -11.050 -4.241 1.00 0.00 C ATOM 1812 OG SER A 123 4.430 -11.972 -4.225 1.00 0.00 O ATOM 0 H SER A 123 1.868 -9.074 -2.671 1.00 0.00 H new ATOM 0 HA SER A 123 2.258 -11.968 -2.662 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.654 -11.329 -5.010 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.753 -10.062 -4.503 1.00 0.00 H new ATOM 0 HG SER A 123 4.859 -11.993 -5.106 1.00 0.00 H new ATOM 1818 N GLY A 124 4.121 -11.653 -1.056 1.00 0.00 N ATOM 1819 CA GLY A 124 5.068 -11.451 0.035 1.00 0.00 C ATOM 1820 C GLY A 124 4.354 -11.021 1.311 1.00 0.00 C ATOM 1821 O GLY A 124 4.980 -10.519 2.244 1.00 0.00 O ATOM 0 H GLY A 124 3.824 -12.621 -1.182 1.00 0.00 H new ATOM 0 HA2 GLY A 124 5.620 -12.373 0.217 1.00 0.00 H new ATOM 0 HA3 GLY A 124 5.798 -10.693 -0.249 1.00 0.00 H new ATOM 1825 N MET A 125 3.041 -11.220 1.345 1.00 0.00 N ATOM 1826 CA MET A 125 2.248 -10.904 2.526 1.00 0.00 C ATOM 1827 C MET A 125 2.791 -11.615 3.760 1.00 0.00 C ATOM 1828 O MET A 125 2.834 -11.043 4.849 1.00 0.00 O ATOM 1829 CB MET A 125 0.785 -11.277 2.295 1.00 0.00 C ATOM 1830 CG MET A 125 -0.149 -10.897 3.436 1.00 0.00 C ATOM 1831 SD MET A 125 -1.856 -11.394 3.132 1.00 0.00 S ATOM 1832 CE MET A 125 -1.746 -13.162 3.397 1.00 0.00 C ATOM 0 H MET A 125 2.503 -11.600 0.566 1.00 0.00 H new ATOM 0 HA MET A 125 2.314 -9.830 2.702 1.00 0.00 H new ATOM 0 HB2 MET A 125 0.439 -10.793 1.382 1.00 0.00 H new ATOM 0 HB3 MET A 125 0.719 -12.352 2.130 1.00 0.00 H new ATOM 0 HG2 MET A 125 0.202 -11.362 4.358 1.00 0.00 H new ATOM 0 HG3 MET A 125 -0.110 -9.818 3.588 1.00 0.00 H new ATOM 0 HE1 MET A 125 -2.749 -13.587 3.439 1.00 0.00 H new ATOM 0 HE2 MET A 125 -1.192 -13.619 2.577 1.00 0.00 H new ATOM 0 HE3 MET A 125 -1.230 -13.358 4.337 1.00 0.00 H new ATOM 1842 N ASP A 126 3.203 -12.865 3.581 1.00 0.00 N ATOM 1843 CA ASP A 126 3.827 -13.627 4.657 1.00 0.00 C ATOM 1844 C ASP A 126 5.118 -12.967 5.122 1.00 0.00 C ATOM 1845 O ASP A 126 5.389 -12.884 6.320 1.00 0.00 O ATOM 1846 CB ASP A 126 4.113 -15.060 4.204 1.00 0.00 C ATOM 1847 CG ASP A 126 2.853 -15.906 4.083 1.00 0.00 C ATOM 1848 OD1 ASP A 126 1.827 -15.481 4.557 1.00 0.00 O ATOM 1849 OD2 ASP A 126 2.928 -16.970 3.515 1.00 0.00 O ATOM 0 H ASP A 126 3.116 -13.373 2.701 1.00 0.00 H new ATOM 0 HA ASP A 126 3.129 -13.649 5.494 1.00 0.00 H new ATOM 0 HB2 ASP A 126 4.622 -15.036 3.241 1.00 0.00 H new ATOM 0 HB3 ASP A 126 4.794 -15.531 4.913 1.00 0.00 H new ATOM 1854 N VAL A 127 5.914 -12.498 4.167 1.00 0.00 N ATOM 1855 CA VAL A 127 7.148 -11.787 4.478 1.00 0.00 C ATOM 1856 C VAL A 127 6.873 -10.552 5.325 1.00 0.00 C ATOM 1857 O VAL A 127 7.590 -10.274 6.287 1.00 0.00 O ATOM 1858 CB VAL A 127 7.865 -11.367 3.181 1.00 0.00 C ATOM 1859 CG1 VAL A 127 9.045 -10.460 3.494 1.00 0.00 C ATOM 1860 CG2 VAL A 127 8.321 -12.602 2.418 1.00 0.00 C ATOM 0 H VAL A 127 5.726 -12.598 3.169 1.00 0.00 H new ATOM 0 HA VAL A 127 7.786 -12.464 5.045 1.00 0.00 H new ATOM 0 HB VAL A 127 7.167 -10.809 2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 127 9.540 -10.173 2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 127 8.691 -9.566 4.008 1.00 0.00 H new ATOM 0 HG13 VAL A 127 9.752 -10.990 4.133 1.00 0.00 H new ATOM 0 HG21 VAL A 127 8.827 -12.297 1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 127 9.008 -13.179 3.037 1.00 0.00 H new ATOM 0 HG23 VAL A 127 7.455 -13.215 2.167 1.00 0.00 H new ATOM 1870 N VAL A 128 5.831 -9.811 4.962 1.00 0.00 N ATOM 1871 CA VAL A 128 5.407 -8.652 5.739 1.00 0.00 C ATOM 1872 C VAL A 128 5.063 -9.044 7.170 1.00 0.00 C ATOM 1873 O VAL A 128 5.494 -8.393 8.123 1.00 0.00 O ATOM 1874 CB VAL A 128 4.183 -7.988 5.082 1.00 0.00 C ATOM 1875 CG1 VAL A 128 3.638 -6.879 5.970 1.00 0.00 C ATOM 1876 CG2 VAL A 128 4.560 -7.445 3.712 1.00 0.00 C ATOM 0 H VAL A 128 5.264 -9.993 4.134 1.00 0.00 H new ATOM 0 HA VAL A 128 6.237 -7.946 5.762 1.00 0.00 H new ATOM 0 HB VAL A 128 3.400 -8.736 4.957 1.00 0.00 H new ATOM 0 HG11 VAL A 128 2.773 -6.421 5.490 1.00 0.00 H new ATOM 0 HG12 VAL A 128 3.340 -7.296 6.932 1.00 0.00 H new ATOM 0 HG13 VAL A 128 4.409 -6.125 6.125 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.689 -6.977 3.254 1.00 0.00 H new ATOM 0 HG22 VAL A 128 5.354 -6.706 3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 128 4.907 -8.262 3.080 1.00 0.00 H new ATOM 1886 N ARG A 129 4.284 -10.110 7.315 1.00 0.00 N ATOM 1887 CA ARG A 129 3.875 -10.587 8.631 1.00 0.00 C ATOM 1888 C ARG A 129 5.083 -10.954 9.483 1.00 0.00 C ATOM 1889 O ARG A 129 5.093 -10.725 10.693 1.00 0.00 O ATOM 1890 CB ARG A 129 2.963 -11.798 8.501 1.00 0.00 C ATOM 1891 CG ARG A 129 2.331 -12.264 9.802 1.00 0.00 C ATOM 1892 CD ARG A 129 1.460 -13.450 9.596 1.00 0.00 C ATOM 1893 NE ARG A 129 0.330 -13.150 8.733 1.00 0.00 N ATOM 1894 CZ ARG A 129 -0.377 -14.071 8.050 1.00 0.00 C ATOM 1895 NH1 ARG A 129 -0.058 -15.343 8.139 1.00 0.00 N ATOM 1896 NH2 ARG A 129 -1.391 -13.695 7.290 1.00 0.00 N ATOM 0 H ARG A 129 3.923 -10.661 6.536 1.00 0.00 H new ATOM 0 HA ARG A 129 3.334 -9.777 9.120 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.169 -11.563 7.792 1.00 0.00 H new ATOM 0 HB3 ARG A 129 3.536 -12.622 8.076 1.00 0.00 H new ATOM 0 HG2 ARG A 129 3.114 -12.508 10.520 1.00 0.00 H new ATOM 0 HG3 ARG A 129 1.745 -11.452 10.233 1.00 0.00 H new ATOM 0 HD2 ARG A 129 2.046 -14.259 9.159 1.00 0.00 H new ATOM 0 HD3 ARG A 129 1.096 -13.805 10.560 1.00 0.00 H new ATOM 0 HE ARG A 129 0.053 -12.173 8.638 1.00 0.00 H new ATOM 0 HH11 ARG A 129 0.725 -15.633 8.725 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -0.593 -16.040 7.622 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -1.638 -12.708 7.221 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -1.927 -14.392 6.773 1.00 0.00 H new ATOM 1910 N THR A 130 6.100 -11.524 8.846 1.00 0.00 N ATOM 1911 CA THR A 130 7.262 -12.035 9.563 1.00 0.00 C ATOM 1912 C THR A 130 8.378 -10.999 9.614 1.00 0.00 C ATOM 1913 O THR A 130 9.528 -11.325 9.907 1.00 0.00 O ATOM 1914 CB THR A 130 7.787 -13.330 8.913 1.00 0.00 C ATOM 1915 OG1 THR A 130 8.132 -13.076 7.545 1.00 0.00 O ATOM 1916 CG2 THR A 130 6.731 -14.422 8.971 1.00 0.00 C ATOM 0 H THR A 130 6.143 -11.644 7.834 1.00 0.00 H new ATOM 0 HA THR A 130 6.942 -12.255 10.582 1.00 0.00 H new ATOM 0 HB THR A 130 8.669 -13.662 9.461 1.00 0.00 H new ATOM 0 HG1 THR A 130 7.316 -13.037 7.004 1.00 0.00 H new ATOM 0 HG21 THR A 130 7.119 -15.329 8.507 1.00 0.00 H new ATOM 0 HG22 THR A 130 6.476 -14.627 10.011 1.00 0.00 H new ATOM 0 HG23 THR A 130 5.839 -14.095 8.436 1.00 0.00 H new ATOM 1924 N MET A 131 8.031 -9.750 9.326 1.00 0.00 N ATOM 1925 CA MET A 131 8.956 -8.637 9.506 1.00 0.00 C ATOM 1926 C MET A 131 9.266 -8.411 10.981 1.00 0.00 C ATOM 1927 O MET A 131 8.517 -8.845 11.855 1.00 0.00 O ATOM 1928 CB MET A 131 8.382 -7.367 8.881 1.00 0.00 C ATOM 1929 CG MET A 131 8.433 -7.336 7.361 1.00 0.00 C ATOM 1930 SD MET A 131 7.776 -5.801 6.675 1.00 0.00 S ATOM 1931 CE MET A 131 8.030 -6.077 4.924 1.00 0.00 C ATOM 0 H MET A 131 7.115 -9.482 8.966 1.00 0.00 H new ATOM 0 HA MET A 131 9.890 -8.888 9.002 1.00 0.00 H new ATOM 0 HB2 MET A 131 7.346 -7.256 9.200 1.00 0.00 H new ATOM 0 HB3 MET A 131 8.928 -6.507 9.268 1.00 0.00 H new ATOM 0 HG2 MET A 131 9.465 -7.464 7.033 1.00 0.00 H new ATOM 0 HG3 MET A 131 7.866 -8.179 6.965 1.00 0.00 H new ATOM 0 HE1 MET A 131 7.772 -5.173 4.372 1.00 0.00 H new ATOM 0 HE2 MET A 131 9.075 -6.327 4.743 1.00 0.00 H new ATOM 0 HE3 MET A 131 7.397 -6.899 4.590 1.00 0.00 H new ATOM 1941 N LYS A 132 10.375 -7.730 11.249 1.00 0.00 N ATOM 1942 CA LYS A 132 10.812 -7.488 12.619 1.00 0.00 C ATOM 1943 C LYS A 132 10.436 -6.086 13.078 1.00 0.00 C ATOM 1944 O LYS A 132 10.150 -5.211 12.261 1.00 0.00 O ATOM 1945 CB LYS A 132 12.323 -7.694 12.743 1.00 0.00 C ATOM 1946 CG LYS A 132 12.795 -9.104 12.412 1.00 0.00 C ATOM 1947 CD LYS A 132 14.302 -9.234 12.573 1.00 0.00 C ATOM 1948 CE LYS A 132 14.771 -10.651 12.275 1.00 0.00 C ATOM 1949 NZ LYS A 132 16.242 -10.797 12.444 1.00 0.00 N ATOM 0 H LYS A 132 10.988 -7.336 10.535 1.00 0.00 H new ATOM 0 HA LYS A 132 10.302 -8.205 13.263 1.00 0.00 H new ATOM 0 HB2 LYS A 132 12.829 -6.990 12.082 1.00 0.00 H new ATOM 0 HB3 LYS A 132 12.628 -7.451 13.761 1.00 0.00 H new ATOM 0 HG2 LYS A 132 12.294 -9.820 13.064 1.00 0.00 H new ATOM 0 HG3 LYS A 132 12.513 -9.353 11.389 1.00 0.00 H new ATOM 0 HD2 LYS A 132 14.803 -8.535 11.903 1.00 0.00 H new ATOM 0 HD3 LYS A 132 14.586 -8.961 13.589 1.00 0.00 H new ATOM 0 HE2 LYS A 132 14.259 -11.349 12.937 1.00 0.00 H new ATOM 0 HE3 LYS A 132 14.495 -10.918 11.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 16.520 -11.776 12.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 16.732 -10.149 11.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 16.503 -10.568 13.424 1.00 0.00 H new ATOM 1963 N ASN A 133 10.437 -5.878 14.390 1.00 0.00 N ATOM 1964 CA ASN A 133 10.200 -4.556 14.957 1.00 0.00 C ATOM 1965 C ASN A 133 11.360 -3.615 14.663 1.00 0.00 C ATOM 1966 O ASN A 133 12.455 -3.775 15.203 1.00 0.00 O ATOM 1967 CB ASN A 133 9.955 -4.652 16.452 1.00 0.00 C ATOM 1968 CG ASN A 133 9.582 -3.329 17.062 1.00 0.00 C ATOM 1969 OD1 ASN A 133 10.004 -2.270 16.584 1.00 0.00 O ATOM 1970 ND2 ASN A 133 8.798 -3.369 18.110 1.00 0.00 N ATOM 0 H ASN A 133 10.600 -6.610 15.082 1.00 0.00 H new ATOM 0 HA ASN A 133 9.307 -4.144 14.486 1.00 0.00 H new ATOM 0 HB2 ASN A 133 9.159 -5.372 16.641 1.00 0.00 H new ATOM 0 HB3 ASN A 133 10.852 -5.033 16.940 1.00 0.00 H new ATOM 0 HD21 ASN A 133 8.512 -2.503 18.566 1.00 0.00 H new ATOM 0 HD22 ASN A 133 8.474 -4.266 18.470 1.00 0.00 H new ATOM 1977 N GLY A 134 11.115 -2.631 13.804 1.00 0.00 N ATOM 1978 CA GLY A 134 12.158 -1.704 13.381 1.00 0.00 C ATOM 1979 C GLY A 134 12.842 -2.189 12.109 1.00 0.00 C ATOM 1980 O GLY A 134 13.905 -1.693 11.738 1.00 0.00 O ATOM 0 H GLY A 134 10.201 -2.455 13.386 1.00 0.00 H new ATOM 0 HA2 GLY A 134 11.725 -0.718 13.211 1.00 0.00 H new ATOM 0 HA3 GLY A 134 12.896 -1.596 14.176 1.00 0.00 H new ATOM 1984 N ASP A 135 12.225 -3.160 11.445 1.00 0.00 N ATOM 1985 CA ASP A 135 12.730 -3.657 10.171 1.00 0.00 C ATOM 1986 C ASP A 135 12.836 -2.535 9.145 1.00 0.00 C ATOM 1987 O ASP A 135 11.909 -1.742 8.980 1.00 0.00 O ATOM 1988 CB ASP A 135 11.823 -4.765 9.630 1.00 0.00 C ATOM 1989 CG ASP A 135 12.483 -5.587 8.530 1.00 0.00 C ATOM 1990 OD1 ASP A 135 13.595 -5.280 8.173 1.00 0.00 O ATOM 1991 OD2 ASP A 135 11.868 -6.513 8.060 1.00 0.00 O ATOM 0 H ASP A 135 11.373 -3.619 11.768 1.00 0.00 H new ATOM 0 HA ASP A 135 13.727 -4.062 10.346 1.00 0.00 H new ATOM 0 HB2 ASP A 135 11.537 -5.426 10.448 1.00 0.00 H new ATOM 0 HB3 ASP A 135 10.906 -4.321 9.244 1.00 0.00 H new ATOM 1996 N VAL A 136 13.973 -2.474 8.460 1.00 0.00 N ATOM 1997 CA VAL A 136 14.310 -1.316 7.639 1.00 0.00 C ATOM 1998 C VAL A 136 13.827 -1.497 6.206 1.00 0.00 C ATOM 1999 O VAL A 136 14.115 -2.509 5.567 1.00 0.00 O ATOM 2000 CB VAL A 136 15.834 -1.088 7.639 1.00 0.00 C ATOM 2001 CG1 VAL A 136 16.195 0.096 6.755 1.00 0.00 C ATOM 2002 CG2 VAL A 136 16.325 -0.868 9.062 1.00 0.00 C ATOM 0 H VAL A 136 14.677 -3.212 8.457 1.00 0.00 H new ATOM 0 HA VAL A 136 13.810 -0.448 8.068 1.00 0.00 H new ATOM 0 HB VAL A 136 16.324 -1.974 7.234 1.00 0.00 H new ATOM 0 HG11 VAL A 136 17.275 0.243 6.767 1.00 0.00 H new ATOM 0 HG12 VAL A 136 15.866 -0.099 5.734 1.00 0.00 H new ATOM 0 HG13 VAL A 136 15.703 0.993 7.130 1.00 0.00 H new ATOM 0 HG21 VAL A 136 17.403 -0.708 9.054 1.00 0.00 H new ATOM 0 HG22 VAL A 136 15.831 0.006 9.486 1.00 0.00 H new ATOM 0 HG23 VAL A 136 16.093 -1.745 9.667 1.00 0.00 H new ATOM 2012 N MET A 137 13.090 -0.510 5.707 1.00 0.00 N ATOM 2013 CA MET A 137 12.734 -0.459 4.294 1.00 0.00 C ATOM 2014 C MET A 137 13.812 0.240 3.479 1.00 0.00 C ATOM 2015 O MET A 137 14.347 1.270 3.891 1.00 0.00 O ATOM 2016 CB MET A 137 11.389 0.243 4.114 1.00 0.00 C ATOM 2017 CG MET A 137 10.204 -0.502 4.712 1.00 0.00 C ATOM 2018 SD MET A 137 8.628 0.300 4.357 1.00 0.00 S ATOM 2019 CE MET A 137 8.656 1.640 5.545 1.00 0.00 C ATOM 0 H MET A 137 12.727 0.266 6.261 1.00 0.00 H new ATOM 0 HA MET A 137 12.650 -1.482 3.929 1.00 0.00 H new ATOM 0 HB2 MET A 137 11.446 1.233 4.567 1.00 0.00 H new ATOM 0 HB3 MET A 137 11.210 0.390 3.049 1.00 0.00 H new ATOM 0 HG2 MET A 137 10.185 -1.520 4.322 1.00 0.00 H new ATOM 0 HG3 MET A 137 10.334 -0.577 5.792 1.00 0.00 H new ATOM 0 HE1 MET A 137 7.812 1.539 6.228 1.00 0.00 H new ATOM 0 HE2 MET A 137 9.587 1.605 6.111 1.00 0.00 H new ATOM 0 HE3 MET A 137 8.586 2.593 5.020 1.00 0.00 H new ATOM 2029 N LYS A 138 14.130 -0.324 2.318 1.00 0.00 N ATOM 2030 CA LYS A 138 15.174 0.223 1.460 1.00 0.00 C ATOM 2031 C LYS A 138 14.591 1.166 0.415 1.00 0.00 C ATOM 2032 O LYS A 138 14.984 2.330 0.327 1.00 0.00 O ATOM 2033 CB LYS A 138 15.950 -0.903 0.776 1.00 0.00 C ATOM 2034 CG LYS A 138 17.135 -0.435 -0.058 1.00 0.00 C ATOM 2035 CD LYS A 138 17.885 -1.612 -0.662 1.00 0.00 C ATOM 2036 CE LYS A 138 19.089 -1.148 -1.469 1.00 0.00 C ATOM 2037 NZ LYS A 138 19.856 -2.291 -2.033 1.00 0.00 N ATOM 0 H LYS A 138 13.678 -1.161 1.950 1.00 0.00 H new ATOM 0 HA LYS A 138 15.858 0.793 2.090 1.00 0.00 H new ATOM 0 HB2 LYS A 138 16.308 -1.595 1.538 1.00 0.00 H new ATOM 0 HB3 LYS A 138 15.267 -1.460 0.134 1.00 0.00 H new ATOM 0 HG2 LYS A 138 16.785 0.223 -0.854 1.00 0.00 H new ATOM 0 HG3 LYS A 138 17.812 0.150 0.565 1.00 0.00 H new ATOM 0 HD2 LYS A 138 18.214 -2.282 0.132 1.00 0.00 H new ATOM 0 HD3 LYS A 138 17.213 -2.183 -1.303 1.00 0.00 H new ATOM 0 HE2 LYS A 138 18.754 -0.501 -2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 138 19.743 -0.551 -0.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 20.667 -1.931 -2.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 20.198 -2.895 -1.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 19.240 -2.847 -2.660 1.00 0.00 H new ATOM 2051 N GLU A 139 13.652 0.657 -0.375 1.00 0.00 N ATOM 2052 CA GLU A 139 12.991 1.462 -1.395 1.00 0.00 C ATOM 2053 C GLU A 139 11.500 1.153 -1.461 1.00 0.00 C ATOM 2054 O GLU A 139 11.089 0.001 -1.314 1.00 0.00 O ATOM 2055 CB GLU A 139 13.633 1.223 -2.763 1.00 0.00 C ATOM 2056 CG GLU A 139 15.062 1.729 -2.885 1.00 0.00 C ATOM 2057 CD GLU A 139 15.645 1.516 -4.254 1.00 0.00 C ATOM 2058 OE1 GLU A 139 14.971 0.953 -5.084 1.00 0.00 O ATOM 2059 OE2 GLU A 139 16.764 1.917 -4.472 1.00 0.00 O ATOM 0 H GLU A 139 13.331 -0.310 -0.328 1.00 0.00 H new ATOM 0 HA GLU A 139 13.112 2.510 -1.121 1.00 0.00 H new ATOM 0 HB2 GLU A 139 13.620 0.154 -2.975 1.00 0.00 H new ATOM 0 HB3 GLU A 139 13.023 1.707 -3.526 1.00 0.00 H new ATOM 0 HG2 GLU A 139 15.087 2.792 -2.647 1.00 0.00 H new ATOM 0 HG3 GLU A 139 15.685 1.223 -2.148 1.00 0.00 H new ATOM 2066 N VAL A 140 10.695 2.186 -1.682 1.00 0.00 N ATOM 2067 CA VAL A 140 9.264 2.011 -1.894 1.00 0.00 C ATOM 2068 C VAL A 140 8.798 2.746 -3.144 1.00 0.00 C ATOM 2069 O VAL A 140 8.921 3.967 -3.240 1.00 0.00 O ATOM 2070 CB VAL A 140 8.476 2.526 -0.675 1.00 0.00 C ATOM 2071 CG1 VAL A 140 6.979 2.383 -0.909 1.00 0.00 C ATOM 2072 CG2 VAL A 140 8.901 1.770 0.574 1.00 0.00 C ATOM 0 H VAL A 140 11.010 3.155 -1.719 1.00 0.00 H new ATOM 0 HA VAL A 140 9.077 0.945 -2.026 1.00 0.00 H new ATOM 0 HB VAL A 140 8.696 3.584 -0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 140 6.438 2.752 -0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 140 6.691 2.962 -1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.735 1.333 -1.070 1.00 0.00 H new ATOM 0 HG21 VAL A 140 8.339 2.140 1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 140 8.702 0.707 0.441 1.00 0.00 H new ATOM 0 HG23 VAL A 140 9.967 1.921 0.746 1.00 0.00 H new ATOM 2082 N LYS A 141 8.263 1.995 -4.101 1.00 0.00 N ATOM 2083 CA LYS A 141 7.936 2.544 -5.412 1.00 0.00 C ATOM 2084 C LYS A 141 6.465 2.336 -5.745 1.00 0.00 C ATOM 2085 O LYS A 141 5.897 1.281 -5.460 1.00 0.00 O ATOM 2086 CB LYS A 141 8.814 1.909 -6.492 1.00 0.00 C ATOM 2087 CG LYS A 141 10.311 2.080 -6.267 1.00 0.00 C ATOM 2088 CD LYS A 141 10.726 3.538 -6.394 1.00 0.00 C ATOM 2089 CE LYS A 141 12.222 3.710 -6.176 1.00 0.00 C ATOM 2090 NZ LYS A 141 12.634 5.139 -6.242 1.00 0.00 N ATOM 0 H LYS A 141 8.047 1.004 -3.993 1.00 0.00 H new ATOM 0 HA LYS A 141 8.130 3.616 -5.382 1.00 0.00 H new ATOM 0 HB2 LYS A 141 8.587 0.844 -6.548 1.00 0.00 H new ATOM 0 HB3 LYS A 141 8.552 2.342 -7.457 1.00 0.00 H new ATOM 0 HG2 LYS A 141 10.577 1.709 -5.277 1.00 0.00 H new ATOM 0 HG3 LYS A 141 10.861 1.479 -6.991 1.00 0.00 H new ATOM 0 HD2 LYS A 141 10.456 3.910 -7.382 1.00 0.00 H new ATOM 0 HD3 LYS A 141 10.179 4.138 -5.667 1.00 0.00 H new ATOM 0 HE2 LYS A 141 12.497 3.298 -5.205 1.00 0.00 H new ATOM 0 HE3 LYS A 141 12.766 3.141 -6.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 13.660 5.212 -6.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 12.396 5.526 -7.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 12.135 5.679 -5.506 1.00 0.00 H new ATOM 2104 N VAL A 142 5.852 3.347 -6.350 1.00 0.00 N ATOM 2105 CA VAL A 142 4.475 3.238 -6.820 1.00 0.00 C ATOM 2106 C VAL A 142 4.344 3.728 -8.256 1.00 0.00 C ATOM 2107 O VAL A 142 4.860 4.788 -8.611 1.00 0.00 O ATOM 2108 CB VAL A 142 3.535 4.055 -5.914 1.00 0.00 C ATOM 2109 CG1 VAL A 142 2.110 4.006 -6.444 1.00 0.00 C ATOM 2110 CG2 VAL A 142 3.600 3.527 -4.490 1.00 0.00 C ATOM 0 H VAL A 142 6.287 4.253 -6.527 1.00 0.00 H new ATOM 0 HA VAL A 142 4.194 2.185 -6.783 1.00 0.00 H new ATOM 0 HB VAL A 142 3.859 5.096 -5.914 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.459 4.588 -5.792 1.00 0.00 H new ATOM 0 HG12 VAL A 142 2.082 4.423 -7.451 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.767 2.972 -6.469 1.00 0.00 H new ATOM 0 HG21 VAL A 142 2.933 4.110 -3.855 1.00 0.00 H new ATOM 0 HG22 VAL A 142 3.293 2.481 -4.475 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.621 3.611 -4.117 1.00 0.00 H new ATOM 2120 N PHE A 143 3.651 2.949 -9.081 1.00 0.00 N ATOM 2121 CA PHE A 143 3.582 3.217 -10.512 1.00 0.00 C ATOM 2122 C PHE A 143 2.263 2.734 -11.100 1.00 0.00 C ATOM 2123 O PHE A 143 1.538 1.961 -10.473 1.00 0.00 O ATOM 2124 CB PHE A 143 4.747 2.543 -11.238 1.00 0.00 C ATOM 2125 CG PHE A 143 4.765 1.047 -11.098 1.00 0.00 C ATOM 2126 CD1 PHE A 143 5.348 0.447 -9.992 1.00 0.00 C ATOM 2127 CD2 PHE A 143 4.198 0.239 -12.071 1.00 0.00 C ATOM 2128 CE1 PHE A 143 5.366 -0.928 -9.862 1.00 0.00 C ATOM 2129 CE2 PHE A 143 4.213 -1.138 -11.943 1.00 0.00 C ATOM 2130 CZ PHE A 143 4.798 -1.721 -10.839 1.00 0.00 C ATOM 0 H PHE A 143 3.129 2.126 -8.781 1.00 0.00 H new ATOM 0 HA PHE A 143 3.647 4.296 -10.651 1.00 0.00 H new ATOM 0 HB2 PHE A 143 4.700 2.799 -12.296 1.00 0.00 H new ATOM 0 HB3 PHE A 143 5.684 2.946 -10.854 1.00 0.00 H new ATOM 0 HD1 PHE A 143 5.793 1.062 -9.224 1.00 0.00 H new ATOM 0 HD2 PHE A 143 3.739 0.690 -12.939 1.00 0.00 H new ATOM 0 HE1 PHE A 143 5.824 -1.383 -8.996 1.00 0.00 H new ATOM 0 HE2 PHE A 143 3.767 -1.756 -12.708 1.00 0.00 H new ATOM 0 HZ PHE A 143 4.812 -2.796 -10.739 1.00 0.00 H new ATOM 2140 N ASP A 144 1.956 3.194 -12.308 1.00 0.00 N ATOM 2141 CA ASP A 144 0.735 2.788 -12.996 1.00 0.00 C ATOM 2142 C ASP A 144 0.978 1.567 -13.874 1.00 0.00 C ATOM 2143 O ASP A 144 1.999 1.474 -14.555 1.00 0.00 O ATOM 2144 CB ASP A 144 0.193 3.938 -13.848 1.00 0.00 C ATOM 2145 CG ASP A 144 -0.210 5.151 -13.020 1.00 0.00 C ATOM 2146 OD1 ASP A 144 -0.924 4.979 -12.061 1.00 0.00 O ATOM 2147 OD2 ASP A 144 0.199 6.236 -13.357 1.00 0.00 O ATOM 0 H ASP A 144 2.536 3.849 -12.832 1.00 0.00 H new ATOM 0 HA ASP A 144 -0.002 2.526 -12.237 1.00 0.00 H new ATOM 0 HB2 ASP A 144 0.951 4.235 -14.573 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -0.670 3.588 -14.414 1.00 0.00 H new ATOM 2152 N GLU A 145 0.034 0.633 -13.852 1.00 0.00 N ATOM 2153 CA GLU A 145 0.113 -0.556 -14.693 1.00 0.00 C ATOM 2154 C GLU A 145 -1.098 -0.665 -15.609 1.00 0.00 C ATOM 2155 O GLU A 145 -2.240 -0.560 -15.160 1.00 0.00 O ATOM 2156 CB GLU A 145 0.226 -1.814 -13.828 1.00 0.00 C ATOM 2157 CG GLU A 145 0.463 -3.096 -14.612 1.00 0.00 C ATOM 2158 CD GLU A 145 0.513 -4.317 -13.735 1.00 0.00 C ATOM 2159 OE1 GLU A 145 -0.494 -4.655 -13.162 1.00 0.00 O ATOM 2160 OE2 GLU A 145 1.561 -4.912 -13.640 1.00 0.00 O ATOM 0 H GLU A 145 -0.796 0.676 -13.260 1.00 0.00 H new ATOM 0 HA GLU A 145 1.005 -0.466 -15.314 1.00 0.00 H new ATOM 0 HB2 GLU A 145 1.042 -1.680 -13.118 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -0.689 -1.923 -13.245 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -0.330 -3.217 -15.350 1.00 0.00 H new ATOM 0 HG3 GLU A 145 1.400 -3.011 -15.162 1.00 0.00 H new ATOM 2167 N PRO A 146 -0.843 -0.876 -16.896 1.00 0.00 N ATOM 2168 CA PRO A 146 -1.913 -0.993 -17.880 1.00 0.00 C ATOM 2169 C PRO A 146 -2.550 -2.376 -17.839 1.00 0.00 C ATOM 2170 O PRO A 146 -3.524 -2.472 -17.635 1.00 0.00 O ATOM 2171 CB PRO A 146 -1.189 -0.742 -19.207 1.00 0.00 C ATOM 2172 CG PRO A 146 0.183 -1.279 -18.982 1.00 0.00 C ATOM 2173 CD PRO A 146 0.492 -0.929 -17.551 1.00 0.00 C ATOM 2174 OXT PRO A 146 -1.882 -3.350 -18.052 1.00 0.00 O ATOM 0 HA PRO A 146 -2.736 -0.299 -17.708 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -1.685 -1.250 -20.034 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -1.166 0.320 -19.453 1.00 0.00 H new ATOM 0 HG2 PRO A 146 0.220 -2.356 -19.144 1.00 0.00 H new ATOM 0 HG3 PRO A 146 0.903 -0.829 -19.666 1.00 0.00 H new ATOM 0 HD2 PRO A 146 1.135 -1.677 -17.087 1.00 0.00 H new ATOM 0 HD3 PRO A 146 1.011 0.027 -17.477 1.00 0.00 H new TER 2182 PRO A 146