USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 695 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 51 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 82 THR OG1 : rot 80:sc= -2.39 USER MOD Set 2.1: A 23 ASN : amide:sc= -3.45 K(o=-5.9,f=-7.4!) USER MOD Set 2.2: A 28 THR OG1 : rot -160:sc= -2.43 USER MOD Set 3.1: A 19 SER OG : rot 174:sc= -5.22! USER MOD Set 3.2: A 103 GLN : amide:sc= -3.1 K(o=-8.3,f=-15!) USER MOD Set 4.1: A 5 ASN : amide:sc= -1.96 K(o=-2,f=-3.7!) USER MOD Set 4.2: A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ 152:sc= 0 (180deg=-0.0633) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -127:sc= -2.27 (180deg=-4.93!) USER MOD Single : A 10 LYS NZ :NH3+ -131:sc= -1.9 (180deg=-5.55!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.744) USER MOD Single : A 21 SER OG : rot 94:sc= -1.65! USER MOD Single : A 27 CYS SG : rot -90:sc= -5.12! USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 36 GLN : amide:sc= -5.01! C(o=-5!,f=-10!) USER MOD Single : A 37 TYR OH : rot -105:sc= 0.775 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= 1.14 (180deg=0.98) USER MOD Single : A 45 GLN : amide:sc= -0.539 K(o=-0.54,f=-1.1) USER MOD Single : A 52 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0187) USER MOD Single : A 54 ASN : amide:sc= 0.225 X(o=0.22,f=-0.089) USER MOD Single : A 64 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.049) USER MOD Single : A 66 CYS SG : rot 89:sc= -0.803 USER MOD Single : A 67 TYR OH : rot -31:sc= 1.26 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.224 K(o=-0.22,f=-2) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 177:sc= -0.584 (180deg=-0.629) USER MOD Single : A 104 TYR OH : rot -130:sc= 1.72 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -1.352 -10.225 -13.479 1.00 0.00 N ATOM 2 CA LEU A 1 -1.057 -9.256 -12.391 1.00 0.00 C ATOM 3 C LEU A 1 -0.681 -7.891 -12.958 1.00 0.00 C ATOM 4 O LEU A 1 0.498 -7.591 -13.150 1.00 0.00 O ATOM 5 CB LEU A 1 0.088 -9.811 -11.539 1.00 0.00 C ATOM 6 CG LEU A 1 -0.343 -10.471 -10.228 1.00 0.00 C ATOM 7 CD1 LEU A 1 -1.268 -11.646 -10.503 1.00 0.00 C ATOM 8 CD2 LEU A 1 0.876 -10.924 -9.436 1.00 0.00 C ATOM 0 H1 LEU A 1 -1.141 -11.189 -13.152 1.00 0.00 H new ATOM 0 H2 LEU A 1 -2.357 -10.160 -13.739 1.00 0.00 H new ATOM 0 H3 LEU A 1 -0.765 -10.005 -14.309 1.00 0.00 H new ATOM 0 HA LEU A 1 -1.948 -9.122 -11.778 1.00 0.00 H new ATOM 0 HB2 LEU A 1 0.641 -10.540 -12.131 1.00 0.00 H new ATOM 0 HB3 LEU A 1 0.777 -8.998 -11.310 1.00 0.00 H new ATOM 0 HG LEU A 1 -0.887 -9.737 -9.633 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -1.565 -12.104 -9.559 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -2.155 -11.295 -11.031 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -0.748 -12.382 -11.116 1.00 0.00 H new ATOM 0 HD21 LEU A 1 0.553 -11.392 -8.506 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.446 -11.643 -10.025 1.00 0.00 H new ATOM 0 HD23 LEU A 1 1.504 -10.062 -9.210 1.00 0.00 H new ATOM 22 N GLU A 2 -1.688 -7.066 -13.223 1.00 0.00 N ATOM 23 CA GLU A 2 -1.460 -5.731 -13.767 1.00 0.00 C ATOM 24 C GLU A 2 -0.605 -4.900 -12.821 1.00 0.00 C ATOM 25 O GLU A 2 -0.477 -5.219 -11.641 1.00 0.00 O ATOM 26 CB GLU A 2 -2.792 -5.016 -14.009 1.00 0.00 C ATOM 27 CG GLU A 2 -2.840 -4.250 -15.321 1.00 0.00 C ATOM 28 CD GLU A 2 -3.260 -5.122 -16.489 1.00 0.00 C ATOM 29 OE1 GLU A 2 -4.385 -5.663 -16.453 1.00 0.00 O ATOM 30 OE2 GLU A 2 -2.464 -5.262 -17.441 1.00 0.00 O ATOM 0 H GLU A 2 -2.670 -7.297 -13.070 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.934 -5.842 -14.715 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.597 -5.751 -13.997 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -2.979 -4.325 -13.187 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.536 -3.416 -15.226 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.858 -3.824 -15.525 1.00 0.00 H new ATOM 37 N LYS A 3 -0.036 -3.824 -13.347 1.00 0.00 N ATOM 38 CA LYS A 3 0.791 -2.932 -12.548 1.00 0.00 C ATOM 39 C LYS A 3 0.832 -1.543 -13.166 1.00 0.00 C ATOM 40 O LYS A 3 1.116 -1.385 -14.353 1.00 0.00 O ATOM 41 CB LYS A 3 2.216 -3.471 -12.410 1.00 0.00 C ATOM 42 CG LYS A 3 2.292 -4.962 -12.130 1.00 0.00 C ATOM 43 CD LYS A 3 3.732 -5.410 -11.934 1.00 0.00 C ATOM 44 CE LYS A 3 3.839 -6.511 -10.892 1.00 0.00 C ATOM 45 NZ LYS A 3 4.718 -7.624 -11.348 1.00 0.00 N ATOM 0 H LYS A 3 -0.132 -3.548 -14.324 1.00 0.00 H new ATOM 0 HA LYS A 3 0.344 -2.872 -11.556 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.764 -3.256 -13.327 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.719 -2.935 -11.605 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.710 -5.198 -11.239 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.846 -5.514 -12.957 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.135 -5.765 -12.882 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.340 -4.559 -11.628 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.231 -6.095 -9.964 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.845 -6.900 -10.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.765 -8.354 -10.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.330 -8.038 -12.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.674 -7.258 -11.534 1.00 0.00 H new ATOM 59 N PHE A 4 0.563 -0.535 -12.347 1.00 0.00 N ATOM 60 CA PHE A 4 0.585 0.845 -12.805 1.00 0.00 C ATOM 61 C PHE A 4 1.282 1.720 -11.772 1.00 0.00 C ATOM 62 O PHE A 4 1.642 1.245 -10.696 1.00 0.00 O ATOM 63 CB PHE A 4 -0.835 1.348 -13.085 1.00 0.00 C ATOM 64 CG PHE A 4 -1.665 1.586 -11.855 1.00 0.00 C ATOM 65 CD1 PHE A 4 -2.354 0.545 -11.250 1.00 0.00 C ATOM 66 CD2 PHE A 4 -1.767 2.854 -11.310 1.00 0.00 C ATOM 67 CE1 PHE A 4 -3.127 0.768 -10.127 1.00 0.00 C ATOM 68 CE2 PHE A 4 -2.534 3.080 -10.189 1.00 0.00 C ATOM 69 CZ PHE A 4 -3.216 2.039 -9.597 1.00 0.00 C ATOM 0 H PHE A 4 0.327 -0.649 -11.361 1.00 0.00 H new ATOM 0 HA PHE A 4 1.143 0.898 -13.740 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.773 2.277 -13.651 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.346 0.622 -13.718 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.285 -0.451 -11.662 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.239 3.676 -11.769 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.660 -0.050 -9.665 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.601 4.074 -9.773 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.819 2.218 -8.719 1.00 0.00 H new ATOM 79 N ASN A 5 1.491 2.986 -12.102 1.00 0.00 N ATOM 80 CA ASN A 5 2.169 3.897 -11.190 1.00 0.00 C ATOM 81 C ASN A 5 1.203 4.918 -10.605 1.00 0.00 C ATOM 82 O ASN A 5 0.386 5.496 -11.318 1.00 0.00 O ATOM 83 CB ASN A 5 3.315 4.612 -11.911 1.00 0.00 C ATOM 84 CG ASN A 5 4.656 4.374 -11.245 1.00 0.00 C ATOM 85 OD1 ASN A 5 5.648 4.075 -11.910 1.00 0.00 O ATOM 86 ND2 ASN A 5 4.695 4.506 -9.924 1.00 0.00 N ATOM 0 H ASN A 5 1.204 3.404 -12.987 1.00 0.00 H new ATOM 0 HA ASN A 5 2.574 3.307 -10.368 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.360 4.269 -12.945 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.111 5.682 -11.939 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.571 4.358 -9.422 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.849 4.755 -9.411 1.00 0.00 H new ATOM 93 N VAL A 6 1.319 5.140 -9.303 1.00 0.00 N ATOM 94 CA VAL A 6 0.473 6.101 -8.612 1.00 0.00 C ATOM 95 C VAL A 6 1.320 7.217 -8.026 1.00 0.00 C ATOM 96 O VAL A 6 2.034 7.014 -7.044 1.00 0.00 O ATOM 97 CB VAL A 6 -0.332 5.437 -7.480 1.00 0.00 C ATOM 98 CG1 VAL A 6 -1.405 6.378 -6.957 1.00 0.00 C ATOM 99 CG2 VAL A 6 -0.935 4.130 -7.951 1.00 0.00 C ATOM 0 H VAL A 6 1.994 4.665 -8.703 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.226 6.506 -9.344 1.00 0.00 H new ATOM 0 HB VAL A 6 0.349 5.218 -6.658 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.961 5.888 -6.158 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.938 7.284 -6.571 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.087 6.638 -7.767 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.500 3.676 -7.137 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.600 4.319 -8.793 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.139 3.453 -8.262 1.00 0.00 H new ATOM 109 N ASP A 7 1.242 8.392 -8.631 1.00 0.00 N ATOM 110 CA ASP A 7 2.012 9.533 -8.163 1.00 0.00 C ATOM 111 C ASP A 7 1.105 10.579 -7.537 1.00 0.00 C ATOM 112 O ASP A 7 0.126 11.016 -8.143 1.00 0.00 O ATOM 113 CB ASP A 7 2.800 10.152 -9.320 1.00 0.00 C ATOM 114 CG ASP A 7 1.917 10.503 -10.500 1.00 0.00 C ATOM 115 OD1 ASP A 7 1.580 9.589 -11.282 1.00 0.00 O ATOM 116 OD2 ASP A 7 1.560 11.692 -10.643 1.00 0.00 O ATOM 0 H ASP A 7 0.656 8.580 -9.444 1.00 0.00 H new ATOM 0 HA ASP A 7 2.710 9.181 -7.403 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.308 11.051 -8.970 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.573 9.455 -9.643 1.00 0.00 H new ATOM 121 N LEU A 8 1.445 10.987 -6.323 1.00 0.00 N ATOM 122 CA LEU A 8 0.676 11.992 -5.615 1.00 0.00 C ATOM 123 C LEU A 8 1.521 12.618 -4.532 1.00 0.00 C ATOM 124 O LEU A 8 2.449 11.999 -4.014 1.00 0.00 O ATOM 125 CB LEU A 8 -0.607 11.411 -5.013 1.00 0.00 C ATOM 126 CG LEU A 8 -0.433 10.249 -4.023 1.00 0.00 C ATOM 127 CD1 LEU A 8 0.430 9.145 -4.613 1.00 0.00 C ATOM 128 CD2 LEU A 8 0.156 10.746 -2.710 1.00 0.00 C ATOM 0 H LEU A 8 2.252 10.634 -5.809 1.00 0.00 H new ATOM 0 HA LEU A 8 0.383 12.755 -6.337 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.141 12.215 -4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.244 11.071 -5.830 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.420 9.831 -3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.534 8.338 -3.888 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.039 8.761 -5.519 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.415 9.544 -4.856 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.271 9.908 -2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.130 11.199 -2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.511 11.487 -2.270 1.00 0.00 H new ATOM 140 N MET A 9 1.197 13.846 -4.198 1.00 0.00 N ATOM 141 CA MET A 9 1.934 14.561 -3.176 1.00 0.00 C ATOM 142 C MET A 9 1.606 14.012 -1.802 1.00 0.00 C ATOM 143 O MET A 9 0.441 13.911 -1.425 1.00 0.00 O ATOM 144 CB MET A 9 1.616 16.054 -3.237 1.00 0.00 C ATOM 145 CG MET A 9 2.660 16.868 -3.985 1.00 0.00 C ATOM 146 SD MET A 9 3.491 18.075 -2.936 1.00 0.00 S ATOM 147 CE MET A 9 5.200 17.810 -3.402 1.00 0.00 C ATOM 0 H MET A 9 0.430 14.372 -4.617 1.00 0.00 H new ATOM 0 HA MET A 9 2.999 14.422 -3.360 1.00 0.00 H new ATOM 0 HB2 MET A 9 0.647 16.191 -3.718 1.00 0.00 H new ATOM 0 HB3 MET A 9 1.526 16.440 -2.222 1.00 0.00 H new ATOM 0 HG2 MET A 9 3.402 16.193 -4.412 1.00 0.00 H new ATOM 0 HG3 MET A 9 2.183 17.385 -4.817 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.797 17.631 -2.508 1.00 0.00 H new ATOM 0 HE2 MET A 9 5.267 16.945 -4.062 1.00 0.00 H new ATOM 0 HE3 MET A 9 5.577 18.692 -3.920 1.00 0.00 H new ATOM 157 N LYS A 10 2.640 13.656 -1.057 1.00 0.00 N ATOM 158 CA LYS A 10 2.453 13.116 0.278 1.00 0.00 C ATOM 159 C LYS A 10 2.781 14.162 1.335 1.00 0.00 C ATOM 160 O LYS A 10 3.773 14.882 1.228 1.00 0.00 O ATOM 161 CB LYS A 10 3.316 11.873 0.475 1.00 0.00 C ATOM 162 CG LYS A 10 2.560 10.717 1.105 1.00 0.00 C ATOM 163 CD LYS A 10 2.427 10.896 2.607 1.00 0.00 C ATOM 164 CE LYS A 10 2.616 9.581 3.346 1.00 0.00 C ATOM 165 NZ LYS A 10 3.421 9.746 4.588 1.00 0.00 N ATOM 0 H LYS A 10 3.613 13.731 -1.353 1.00 0.00 H new ATOM 0 HA LYS A 10 1.406 12.835 0.389 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.713 11.557 -0.490 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.170 12.127 1.103 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.569 10.641 0.657 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.079 9.782 0.893 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.165 11.619 2.955 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.445 11.307 2.840 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.641 9.165 3.599 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.108 8.864 2.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.173 9.028 4.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.848 10.694 4.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.806 9.631 5.418 1.00 0.00 H new ATOM 179 N LYS A 11 1.936 14.243 2.355 1.00 0.00 N ATOM 180 CA LYS A 11 2.136 15.205 3.433 1.00 0.00 C ATOM 181 C LYS A 11 2.399 14.493 4.758 1.00 0.00 C ATOM 182 O LYS A 11 1.569 14.518 5.666 1.00 0.00 O ATOM 183 CB LYS A 11 0.914 16.119 3.563 1.00 0.00 C ATOM 184 CG LYS A 11 0.477 16.740 2.245 1.00 0.00 C ATOM 185 CD LYS A 11 1.423 17.849 1.813 1.00 0.00 C ATOM 186 CE LYS A 11 0.882 18.607 0.612 1.00 0.00 C ATOM 187 NZ LYS A 11 1.154 20.069 0.708 1.00 0.00 N ATOM 0 H LYS A 11 1.108 13.657 2.459 1.00 0.00 H new ATOM 0 HA LYS A 11 3.009 15.810 3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.085 15.546 3.978 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.139 16.915 4.273 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.439 15.971 1.474 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.532 17.139 2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.577 18.540 2.641 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.396 17.423 1.568 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.333 18.213 -0.299 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.193 18.442 0.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.769 20.549 -0.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.703 20.451 1.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.180 20.229 0.758 1.00 0.00 H new ATOM 201 N ALA A 12 3.567 13.862 4.859 1.00 0.00 N ATOM 202 CA ALA A 12 3.953 13.140 6.070 1.00 0.00 C ATOM 203 C ALA A 12 2.821 12.243 6.569 1.00 0.00 C ATOM 204 O ALA A 12 2.718 11.964 7.764 1.00 0.00 O ATOM 205 CB ALA A 12 4.367 14.121 7.156 1.00 0.00 C ATOM 0 H ALA A 12 4.264 13.836 4.115 1.00 0.00 H new ATOM 0 HA ALA A 12 4.801 12.501 5.824 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.652 13.572 8.053 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.214 14.713 6.808 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.532 14.783 7.386 1.00 0.00 H new ATOM 211 N GLY A 13 1.972 11.800 5.647 1.00 0.00 N ATOM 212 CA GLY A 13 0.857 10.946 6.011 1.00 0.00 C ATOM 213 C GLY A 13 -0.429 11.726 6.191 1.00 0.00 C ATOM 214 O GLY A 13 -0.889 11.928 7.316 1.00 0.00 O ATOM 0 H GLY A 13 2.037 12.018 4.653 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.715 10.189 5.240 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.092 10.419 6.936 1.00 0.00 H new ATOM 218 N LYS A 14 -1.008 12.174 5.081 1.00 0.00 N ATOM 219 CA LYS A 14 -2.246 12.945 5.124 1.00 0.00 C ATOM 220 C LYS A 14 -3.360 12.241 4.340 1.00 0.00 C ATOM 221 O LYS A 14 -3.955 11.279 4.825 1.00 0.00 O ATOM 222 CB LYS A 14 -2.000 14.362 4.581 1.00 0.00 C ATOM 223 CG LYS A 14 -3.258 15.217 4.454 1.00 0.00 C ATOM 224 CD LYS A 14 -2.936 16.602 3.918 1.00 0.00 C ATOM 225 CE LYS A 14 -2.301 17.479 4.985 1.00 0.00 C ATOM 226 NZ LYS A 14 -1.598 18.652 4.394 1.00 0.00 N ATOM 0 H LYS A 14 -0.641 12.017 4.143 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.573 13.021 6.161 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.294 14.872 5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.527 14.286 3.602 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.969 14.725 3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.740 15.305 5.428 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.260 16.516 3.067 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.849 17.074 3.554 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.070 17.826 5.674 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.594 16.888 5.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.552 19.419 5.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.634 18.376 4.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.117 18.981 3.555 1.00 0.00 H new ATOM 240 N GLU A 15 -3.641 12.728 3.135 1.00 0.00 N ATOM 241 CA GLU A 15 -4.677 12.160 2.293 1.00 0.00 C ATOM 242 C GLU A 15 -4.281 10.792 1.742 1.00 0.00 C ATOM 243 O GLU A 15 -5.090 10.124 1.100 1.00 0.00 O ATOM 244 CB GLU A 15 -5.027 13.126 1.165 1.00 0.00 C ATOM 245 CG GLU A 15 -5.862 14.312 1.622 1.00 0.00 C ATOM 246 CD GLU A 15 -5.604 15.560 0.799 1.00 0.00 C ATOM 247 OE1 GLU A 15 -4.434 15.988 0.722 1.00 0.00 O ATOM 248 OE2 GLU A 15 -6.573 16.112 0.238 1.00 0.00 O ATOM 0 H GLU A 15 -3.157 13.524 2.720 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.562 12.007 2.911 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.106 13.493 0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.570 12.586 0.390 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.919 14.053 1.560 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.646 14.521 2.670 1.00 0.00 H new ATOM 255 N LEU A 16 -3.036 10.373 1.983 1.00 0.00 N ATOM 256 CA LEU A 16 -2.566 9.086 1.493 1.00 0.00 C ATOM 257 C LEU A 16 -3.609 8.012 1.782 1.00 0.00 C ATOM 258 O LEU A 16 -3.867 7.143 0.950 1.00 0.00 O ATOM 259 CB LEU A 16 -1.237 8.729 2.158 1.00 0.00 C ATOM 260 CG LEU A 16 -0.297 7.897 1.292 1.00 0.00 C ATOM 261 CD1 LEU A 16 0.222 8.716 0.119 1.00 0.00 C ATOM 262 CD2 LEU A 16 0.855 7.345 2.119 1.00 0.00 C ATOM 0 H LEU A 16 -2.344 10.905 2.511 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.412 9.146 0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.728 9.651 2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.442 8.182 3.078 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.861 7.053 0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.891 8.103 -0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.617 9.049 -0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.765 9.584 0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.512 6.755 1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.418 8.170 2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.461 6.714 2.916 1.00 0.00 H new ATOM 274 N GLY A 17 -4.219 8.120 2.961 1.00 0.00 N ATOM 275 CA GLY A 17 -5.266 7.207 3.391 1.00 0.00 C ATOM 276 C GLY A 17 -5.404 5.965 2.536 1.00 0.00 C ATOM 277 O GLY A 17 -6.443 5.738 1.917 1.00 0.00 O ATOM 0 H GLY A 17 -3.998 8.846 3.643 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.068 6.905 4.419 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.217 7.739 3.393 1.00 0.00 H new ATOM 281 N LEU A 18 -4.359 5.157 2.515 1.00 0.00 N ATOM 282 CA LEU A 18 -4.371 3.914 1.752 1.00 0.00 C ATOM 283 C LEU A 18 -3.962 2.757 2.647 1.00 0.00 C ATOM 284 O LEU A 18 -2.778 2.452 2.792 1.00 0.00 O ATOM 285 CB LEU A 18 -3.444 3.993 0.537 1.00 0.00 C ATOM 286 CG LEU A 18 -2.172 4.808 0.740 1.00 0.00 C ATOM 287 CD1 LEU A 18 -1.060 3.935 1.297 1.00 0.00 C ATOM 288 CD2 LEU A 18 -1.743 5.452 -0.571 1.00 0.00 C ATOM 0 H LEU A 18 -3.489 5.336 3.017 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.385 3.751 1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.164 2.980 0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.001 4.421 -0.297 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.378 5.598 1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.161 4.535 1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.369 3.519 2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.851 3.123 0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.833 6.031 -0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.554 4.676 -1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.534 6.111 -0.929 1.00 0.00 H new ATOM 300 N SER A 19 -4.954 2.125 3.255 1.00 0.00 N ATOM 301 CA SER A 19 -4.711 1.003 4.155 1.00 0.00 C ATOM 302 C SER A 19 -3.850 -0.061 3.477 1.00 0.00 C ATOM 303 O SER A 19 -4.232 -0.618 2.449 1.00 0.00 O ATOM 304 CB SER A 19 -6.039 0.400 4.625 1.00 0.00 C ATOM 305 OG SER A 19 -5.975 -1.015 4.690 1.00 0.00 O ATOM 0 H SER A 19 -5.938 2.369 3.143 1.00 0.00 H new ATOM 0 HA SER A 19 -4.169 1.373 5.025 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.293 0.799 5.607 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.836 0.698 3.944 1.00 0.00 H new ATOM 0 HG SER A 19 -6.800 -1.362 5.089 1.00 0.00 H new ATOM 311 N LEU A 20 -2.684 -0.324 4.057 1.00 0.00 N ATOM 312 CA LEU A 20 -1.762 -1.311 3.503 1.00 0.00 C ATOM 313 C LEU A 20 -1.724 -2.578 4.349 1.00 0.00 C ATOM 314 O LEU A 20 -2.186 -2.595 5.491 1.00 0.00 O ATOM 315 CB LEU A 20 -0.357 -0.716 3.396 1.00 0.00 C ATOM 316 CG LEU A 20 -0.278 0.623 2.666 1.00 0.00 C ATOM 317 CD1 LEU A 20 1.156 1.129 2.628 1.00 0.00 C ATOM 318 CD2 LEU A 20 -0.836 0.490 1.257 1.00 0.00 C ATOM 0 H LEU A 20 -2.355 0.131 4.909 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.120 -1.580 2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.045 -0.589 4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.286 -1.431 2.883 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.881 1.350 3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.191 2.084 2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.523 1.260 3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.783 0.406 2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.773 1.452 0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.257 -0.251 0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.878 0.173 1.307 1.00 0.00 H new ATOM 330 N SER A 21 -1.161 -3.638 3.777 1.00 0.00 N ATOM 331 CA SER A 21 -1.047 -4.921 4.464 1.00 0.00 C ATOM 332 C SER A 21 0.252 -5.622 4.069 1.00 0.00 C ATOM 333 O SER A 21 0.921 -5.212 3.122 1.00 0.00 O ATOM 334 CB SER A 21 -2.249 -5.809 4.133 1.00 0.00 C ATOM 335 OG SER A 21 -3.358 -5.032 3.714 1.00 0.00 O ATOM 0 H SER A 21 -0.774 -3.633 2.833 1.00 0.00 H new ATOM 0 HA SER A 21 -1.032 -4.739 5.539 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.978 -6.515 3.348 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.523 -6.397 5.009 1.00 0.00 H new ATOM 0 HG SER A 21 -3.360 -4.965 2.736 1.00 0.00 H new ATOM 341 N PRO A 22 0.636 -6.688 4.794 1.00 0.00 N ATOM 342 CA PRO A 22 1.869 -7.432 4.510 1.00 0.00 C ATOM 343 C PRO A 22 1.749 -8.330 3.281 1.00 0.00 C ATOM 344 O PRO A 22 0.751 -9.029 3.103 1.00 0.00 O ATOM 345 CB PRO A 22 2.062 -8.276 5.770 1.00 0.00 C ATOM 346 CG PRO A 22 0.686 -8.487 6.298 1.00 0.00 C ATOM 347 CD PRO A 22 -0.093 -7.245 5.950 1.00 0.00 C ATOM 0 HA PRO A 22 2.702 -6.766 4.286 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.548 -9.224 5.541 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.691 -7.763 6.498 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.229 -9.371 5.852 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.703 -8.647 7.376 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.127 -7.479 5.697 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.120 -6.542 6.783 1.00 0.00 H new ATOM 355 N ASN A 23 2.779 -8.308 2.438 1.00 0.00 N ATOM 356 CA ASN A 23 2.798 -9.122 1.226 1.00 0.00 C ATOM 357 C ASN A 23 4.220 -9.557 0.881 1.00 0.00 C ATOM 358 O ASN A 23 5.193 -8.988 1.373 1.00 0.00 O ATOM 359 CB ASN A 23 2.186 -8.356 0.051 1.00 0.00 C ATOM 360 CG ASN A 23 1.002 -9.085 -0.547 1.00 0.00 C ATOM 361 OD1 ASN A 23 0.875 -9.193 -1.767 1.00 0.00 O ATOM 362 ND2 ASN A 23 0.127 -9.591 0.312 1.00 0.00 N ATOM 0 H ASN A 23 3.612 -7.735 2.573 1.00 0.00 H new ATOM 0 HA ASN A 23 2.200 -10.014 1.415 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.871 -7.368 0.387 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.944 -8.205 -0.717 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.692 -10.094 -0.031 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.273 -9.477 1.315 1.00 0.00 H new ATOM 369 N GLU A 24 4.328 -10.575 0.032 1.00 0.00 N ATOM 370 CA GLU A 24 5.625 -11.097 -0.385 1.00 0.00 C ATOM 371 C GLU A 24 6.250 -10.221 -1.466 1.00 0.00 C ATOM 372 O GLU A 24 7.473 -10.146 -1.589 1.00 0.00 O ATOM 373 CB GLU A 24 5.470 -12.524 -0.910 1.00 0.00 C ATOM 374 CG GLU A 24 4.447 -12.652 -2.028 1.00 0.00 C ATOM 375 CD GLU A 24 3.336 -13.630 -1.697 1.00 0.00 C ATOM 376 OE1 GLU A 24 2.319 -13.197 -1.115 1.00 0.00 O ATOM 377 OE2 GLU A 24 3.483 -14.827 -2.020 1.00 0.00 O ATOM 0 H GLU A 24 3.529 -11.056 -0.382 1.00 0.00 H new ATOM 0 HA GLU A 24 6.283 -11.095 0.484 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.436 -12.877 -1.270 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.180 -13.176 -0.086 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.014 -11.673 -2.232 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.950 -12.975 -2.940 1.00 0.00 H new ATOM 384 N ILE A 25 5.403 -9.569 -2.252 1.00 0.00 N ATOM 385 CA ILE A 25 5.871 -8.706 -3.332 1.00 0.00 C ATOM 386 C ILE A 25 5.755 -7.228 -2.971 1.00 0.00 C ATOM 387 O ILE A 25 6.143 -6.359 -3.751 1.00 0.00 O ATOM 388 CB ILE A 25 5.085 -8.967 -4.629 1.00 0.00 C ATOM 389 CG1 ILE A 25 3.580 -8.802 -4.386 1.00 0.00 C ATOM 390 CG2 ILE A 25 5.405 -10.359 -5.154 1.00 0.00 C ATOM 391 CD1 ILE A 25 2.712 -9.384 -5.482 1.00 0.00 C ATOM 0 H ILE A 25 4.388 -9.620 -2.163 1.00 0.00 H new ATOM 0 HA ILE A 25 6.923 -8.947 -3.487 1.00 0.00 H new ATOM 0 HB ILE A 25 5.383 -8.237 -5.381 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.321 -9.278 -3.440 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.353 -7.741 -4.282 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.846 -10.539 -6.072 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.473 -10.434 -5.359 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.125 -11.103 -4.408 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.662 -9.227 -5.236 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.941 -8.892 -6.427 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.908 -10.452 -5.572 1.00 0.00 H new ATOM 403 N GLY A 26 5.225 -6.945 -1.787 1.00 0.00 N ATOM 404 CA GLY A 26 5.076 -5.571 -1.354 1.00 0.00 C ATOM 405 C GLY A 26 4.101 -5.438 -0.205 1.00 0.00 C ATOM 406 O GLY A 26 4.254 -6.091 0.826 1.00 0.00 O ATOM 0 H GLY A 26 4.896 -7.643 -1.120 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.047 -5.180 -1.052 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.734 -4.963 -2.191 1.00 0.00 H new ATOM 410 N CYS A 27 3.094 -4.593 -0.384 1.00 0.00 N ATOM 411 CA CYS A 27 2.089 -4.385 0.652 1.00 0.00 C ATOM 412 C CYS A 27 0.696 -4.260 0.047 1.00 0.00 C ATOM 413 O CYS A 27 0.361 -3.243 -0.560 1.00 0.00 O ATOM 414 CB CYS A 27 2.417 -3.139 1.477 1.00 0.00 C ATOM 415 SG CYS A 27 2.596 -1.631 0.499 1.00 0.00 S ATOM 0 H CYS A 27 2.951 -4.043 -1.231 1.00 0.00 H new ATOM 0 HA CYS A 27 2.101 -5.255 1.308 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.630 -2.988 2.216 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.342 -3.314 2.027 1.00 0.00 H new ATOM 0 HG CYS A 27 3.836 -1.495 0.134 1.00 0.00 H new ATOM 421 N THR A 28 -0.111 -5.304 0.213 1.00 0.00 N ATOM 422 CA THR A 28 -1.468 -5.311 -0.319 1.00 0.00 C ATOM 423 C THR A 28 -2.327 -4.259 0.368 1.00 0.00 C ATOM 424 O THR A 28 -2.390 -4.201 1.595 1.00 0.00 O ATOM 425 CB THR A 28 -2.105 -6.693 -0.149 1.00 0.00 C ATOM 426 OG1 THR A 28 -1.340 -7.692 -0.804 1.00 0.00 O ATOM 427 CG2 THR A 28 -3.517 -6.770 -0.691 1.00 0.00 C ATOM 0 H THR A 28 0.152 -6.154 0.711 1.00 0.00 H new ATOM 0 HA THR A 28 -1.411 -5.074 -1.381 1.00 0.00 H new ATOM 0 HB THR A 28 -2.132 -6.864 0.927 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.898 -8.482 -0.960 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.911 -7.775 -0.539 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.147 -6.051 -0.168 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.511 -6.540 -1.756 1.00 0.00 H new ATOM 435 N ILE A 29 -2.994 -3.432 -0.427 1.00 0.00 N ATOM 436 CA ILE A 29 -3.851 -2.391 0.114 1.00 0.00 C ATOM 437 C ILE A 29 -5.102 -2.997 0.740 1.00 0.00 C ATOM 438 O ILE A 29 -6.018 -3.418 0.034 1.00 0.00 O ATOM 439 CB ILE A 29 -4.269 -1.383 -0.976 1.00 0.00 C ATOM 440 CG1 ILE A 29 -3.033 -0.822 -1.682 1.00 0.00 C ATOM 441 CG2 ILE A 29 -5.099 -0.260 -0.375 1.00 0.00 C ATOM 442 CD1 ILE A 29 -3.320 -0.293 -3.070 1.00 0.00 C ATOM 0 H ILE A 29 -2.957 -3.464 -1.446 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.278 -1.865 0.878 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.882 -1.903 -1.713 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.611 -0.020 -1.076 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.276 -1.604 -1.749 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.385 0.441 -1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.996 -0.676 0.084 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.512 0.261 0.382 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.399 0.089 -3.511 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.714 -1.097 -3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.054 0.511 -3.009 1.00 0.00 H new ATOM 454 N ALA A 30 -5.137 -3.031 2.066 1.00 0.00 N ATOM 455 CA ALA A 30 -6.282 -3.579 2.780 1.00 0.00 C ATOM 456 C ALA A 30 -7.510 -2.703 2.575 1.00 0.00 C ATOM 457 O ALA A 30 -8.643 -3.179 2.629 1.00 0.00 O ATOM 458 CB ALA A 30 -5.962 -3.720 4.262 1.00 0.00 C ATOM 0 H ALA A 30 -4.388 -2.687 2.667 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.500 -4.569 2.379 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.827 -4.131 4.783 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.111 -4.389 4.388 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.719 -2.742 4.677 1.00 0.00 H new ATOM 464 N ASP A 31 -7.271 -1.416 2.335 1.00 0.00 N ATOM 465 CA ASP A 31 -8.348 -0.461 2.115 1.00 0.00 C ATOM 466 C ASP A 31 -7.795 0.881 1.665 1.00 0.00 C ATOM 467 O ASP A 31 -6.582 1.063 1.553 1.00 0.00 O ATOM 468 CB ASP A 31 -9.159 -0.256 3.396 1.00 0.00 C ATOM 469 CG ASP A 31 -10.308 -1.238 3.524 1.00 0.00 C ATOM 470 OD1 ASP A 31 -10.711 -1.816 2.493 1.00 0.00 O ATOM 471 OD2 ASP A 31 -10.805 -1.427 4.653 1.00 0.00 O ATOM 0 H ASP A 31 -6.336 -1.012 2.288 1.00 0.00 H new ATOM 0 HA ASP A 31 -8.993 -0.867 1.336 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.501 -0.359 4.259 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.551 0.761 3.414 1.00 0.00 H new ATOM 476 N LEU A 32 -8.696 1.822 1.436 1.00 0.00 N ATOM 477 CA LEU A 32 -8.317 3.161 1.026 1.00 0.00 C ATOM 478 C LEU A 32 -9.494 4.111 1.198 1.00 0.00 C ATOM 479 O LEU A 32 -10.627 3.781 0.851 1.00 0.00 O ATOM 480 CB LEU A 32 -7.796 3.173 -0.416 1.00 0.00 C ATOM 481 CG LEU A 32 -8.832 2.895 -1.507 1.00 0.00 C ATOM 482 CD1 LEU A 32 -9.688 1.691 -1.146 1.00 0.00 C ATOM 483 CD2 LEU A 32 -9.695 4.123 -1.749 1.00 0.00 C ATOM 0 H LEU A 32 -9.702 1.680 1.528 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.503 3.502 1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.346 4.146 -0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.001 2.432 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.302 2.664 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.417 1.513 -1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.052 0.813 -1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.209 1.883 -0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.426 3.906 -2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.214 4.390 -0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.065 4.954 -2.064 1.00 0.00 H new ATOM 495 N ILE A 33 -9.222 5.279 1.763 1.00 0.00 N ATOM 496 CA ILE A 33 -10.268 6.263 2.010 1.00 0.00 C ATOM 497 C ILE A 33 -10.346 7.297 0.895 1.00 0.00 C ATOM 498 O ILE A 33 -9.388 8.027 0.637 1.00 0.00 O ATOM 499 CB ILE A 33 -10.055 6.990 3.354 1.00 0.00 C ATOM 500 CG1 ILE A 33 -8.656 7.619 3.423 1.00 0.00 C ATOM 501 CG2 ILE A 33 -10.289 6.049 4.514 1.00 0.00 C ATOM 502 CD1 ILE A 33 -8.220 7.987 4.828 1.00 0.00 C ATOM 0 H ILE A 33 -8.290 5.568 2.058 1.00 0.00 H new ATOM 0 HA ILE A 33 -11.206 5.709 2.046 1.00 0.00 H new ATOM 0 HB ILE A 33 -10.784 7.797 3.424 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.933 6.922 2.999 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.639 8.514 2.801 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.133 6.582 5.452 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.311 5.672 4.476 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.591 5.214 4.451 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.223 8.425 4.796 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.920 8.708 5.249 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.203 7.092 5.450 1.00 0.00 H new ATOM 514 N GLN A 34 -11.503 7.356 0.243 1.00 0.00 N ATOM 515 CA GLN A 34 -11.724 8.305 -0.839 1.00 0.00 C ATOM 516 C GLN A 34 -11.857 9.716 -0.285 1.00 0.00 C ATOM 517 O GLN A 34 -11.842 9.917 0.929 1.00 0.00 O ATOM 518 CB GLN A 34 -12.974 7.924 -1.632 1.00 0.00 C ATOM 519 CG GLN A 34 -12.857 6.579 -2.331 1.00 0.00 C ATOM 520 CD GLN A 34 -14.144 6.163 -3.016 1.00 0.00 C ATOM 521 OE1 GLN A 34 -15.233 6.327 -2.468 1.00 0.00 O ATOM 522 NE2 GLN A 34 -14.023 5.619 -4.222 1.00 0.00 N ATOM 0 H GLN A 34 -12.302 6.756 0.447 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.865 8.275 -1.510 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.830 7.902 -0.958 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -13.173 8.696 -2.375 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -12.056 6.626 -3.069 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.575 5.819 -1.603 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -13.099 5.502 -4.638 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -14.854 5.318 -4.732 1.00 0.00 H new ATOM 531 N GLY A 35 -11.965 10.697 -1.174 1.00 0.00 N ATOM 532 CA GLY A 35 -12.076 12.076 -0.738 1.00 0.00 C ATOM 533 C GLY A 35 -10.721 12.667 -0.403 1.00 0.00 C ATOM 534 O GLY A 35 -10.356 13.730 -0.904 1.00 0.00 O ATOM 0 H GLY A 35 -11.978 10.563 -2.185 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.548 12.669 -1.521 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.724 12.130 0.137 1.00 0.00 H new ATOM 538 N GLN A 36 -9.968 11.961 0.438 1.00 0.00 N ATOM 539 CA GLN A 36 -8.634 12.394 0.840 1.00 0.00 C ATOM 540 C GLN A 36 -7.825 12.843 -0.371 1.00 0.00 C ATOM 541 O GLN A 36 -7.626 14.039 -0.585 1.00 0.00 O ATOM 542 CB GLN A 36 -7.914 11.249 1.573 1.00 0.00 C ATOM 543 CG GLN A 36 -7.950 11.334 3.096 1.00 0.00 C ATOM 544 CD GLN A 36 -8.006 12.754 3.635 1.00 0.00 C ATOM 545 OE1 GLN A 36 -6.977 13.357 3.940 1.00 0.00 O ATOM 546 NE2 GLN A 36 -9.213 13.293 3.758 1.00 0.00 N ATOM 0 H GLN A 36 -10.264 11.079 0.857 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.730 13.244 1.516 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.361 10.304 1.266 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.873 11.229 1.250 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.818 10.784 3.460 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.067 10.838 3.498 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.040 12.758 3.493 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.313 14.242 4.117 1.00 0.00 H new ATOM 555 N TYR A 37 -7.364 11.886 -1.159 1.00 0.00 N ATOM 556 CA TYR A 37 -6.581 12.196 -2.344 1.00 0.00 C ATOM 557 C TYR A 37 -7.298 11.716 -3.606 1.00 0.00 C ATOM 558 O TYR A 37 -7.753 10.574 -3.674 1.00 0.00 O ATOM 559 CB TYR A 37 -5.204 11.547 -2.248 1.00 0.00 C ATOM 560 CG TYR A 37 -4.144 12.405 -1.586 1.00 0.00 C ATOM 561 CD1 TYR A 37 -4.110 13.784 -1.761 1.00 0.00 C ATOM 562 CD2 TYR A 37 -3.150 11.822 -0.808 1.00 0.00 C ATOM 563 CE1 TYR A 37 -3.118 14.552 -1.185 1.00 0.00 C ATOM 564 CE2 TYR A 37 -2.159 12.583 -0.222 1.00 0.00 C ATOM 565 CZ TYR A 37 -2.144 13.949 -0.416 1.00 0.00 C ATOM 566 OH TYR A 37 -1.159 14.714 0.165 1.00 0.00 O ATOM 0 H TYR A 37 -7.518 10.890 -1.000 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.462 13.278 -2.404 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.295 10.613 -1.693 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.868 11.289 -3.252 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.873 14.262 -2.358 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.153 10.752 -0.659 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.104 15.621 -1.336 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.400 12.112 0.385 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.319 14.592 -0.324 1.00 0.00 H new ATOM 576 N PRO A 38 -7.409 12.585 -4.627 1.00 0.00 N ATOM 577 CA PRO A 38 -8.077 12.239 -5.886 1.00 0.00 C ATOM 578 C PRO A 38 -7.326 11.169 -6.670 1.00 0.00 C ATOM 579 O PRO A 38 -7.932 10.242 -7.208 1.00 0.00 O ATOM 580 CB PRO A 38 -8.090 13.561 -6.659 1.00 0.00 C ATOM 581 CG PRO A 38 -6.965 14.349 -6.086 1.00 0.00 C ATOM 582 CD PRO A 38 -6.896 13.968 -4.635 1.00 0.00 C ATOM 0 HA PRO A 38 -9.069 11.820 -5.716 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.953 13.395 -7.728 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -9.040 14.081 -6.536 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.029 14.121 -6.595 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.138 15.419 -6.202 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.877 14.022 -4.252 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.504 14.627 -4.016 1.00 0.00 H new ATOM 590 N GLU A 39 -6.005 11.298 -6.729 1.00 0.00 N ATOM 591 CA GLU A 39 -5.178 10.334 -7.448 1.00 0.00 C ATOM 592 C GLU A 39 -5.367 8.936 -6.875 1.00 0.00 C ATOM 593 O GLU A 39 -5.591 7.977 -7.611 1.00 0.00 O ATOM 594 CB GLU A 39 -3.703 10.737 -7.374 1.00 0.00 C ATOM 595 CG GLU A 39 -3.338 11.884 -8.300 1.00 0.00 C ATOM 596 CD GLU A 39 -3.386 11.492 -9.764 1.00 0.00 C ATOM 597 OE1 GLU A 39 -2.407 10.887 -10.248 1.00 0.00 O ATOM 598 OE2 GLU A 39 -4.402 11.789 -10.425 1.00 0.00 O ATOM 0 H GLU A 39 -5.485 12.057 -6.290 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.489 10.328 -8.493 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.463 11.019 -6.349 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.086 9.873 -7.620 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.021 12.716 -8.128 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.337 12.238 -8.056 1.00 0.00 H new ATOM 605 N ILE A 40 -5.287 8.830 -5.552 1.00 0.00 N ATOM 606 CA ILE A 40 -5.460 7.550 -4.879 1.00 0.00 C ATOM 607 C ILE A 40 -6.834 6.967 -5.183 1.00 0.00 C ATOM 608 O ILE A 40 -6.972 5.770 -5.443 1.00 0.00 O ATOM 609 CB ILE A 40 -5.300 7.685 -3.352 1.00 0.00 C ATOM 610 CG1 ILE A 40 -4.055 8.521 -3.016 1.00 0.00 C ATOM 611 CG2 ILE A 40 -5.225 6.306 -2.713 1.00 0.00 C ATOM 612 CD1 ILE A 40 -3.662 8.474 -1.557 1.00 0.00 C ATOM 0 H ILE A 40 -5.104 9.615 -4.927 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.684 6.883 -5.255 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.169 8.203 -2.947 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.219 8.168 -3.619 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.238 9.557 -3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.112 6.411 -1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.140 5.754 -2.930 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.370 5.764 -3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.775 9.088 -1.399 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.481 8.855 -0.947 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.446 7.445 -1.271 1.00 0.00 H new ATOM 624 N ASP A 41 -7.848 7.825 -5.159 1.00 0.00 N ATOM 625 CA ASP A 41 -9.215 7.409 -5.440 1.00 0.00 C ATOM 626 C ASP A 41 -9.362 6.992 -6.901 1.00 0.00 C ATOM 627 O ASP A 41 -10.182 6.139 -7.236 1.00 0.00 O ATOM 628 CB ASP A 41 -10.187 8.548 -5.124 1.00 0.00 C ATOM 629 CG ASP A 41 -10.034 9.065 -3.707 1.00 0.00 C ATOM 630 OD1 ASP A 41 -9.200 8.512 -2.958 1.00 0.00 O ATOM 631 OD2 ASP A 41 -10.748 10.023 -3.345 1.00 0.00 O ATOM 0 H ASP A 41 -7.747 8.817 -4.947 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.450 6.552 -4.809 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.023 9.366 -5.826 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.209 8.201 -5.272 1.00 0.00 H new ATOM 636 N SER A 42 -8.559 7.607 -7.764 1.00 0.00 N ATOM 637 CA SER A 42 -8.594 7.311 -9.192 1.00 0.00 C ATOM 638 C SER A 42 -7.473 6.359 -9.593 1.00 0.00 C ATOM 639 O SER A 42 -7.299 6.058 -10.774 1.00 0.00 O ATOM 640 CB SER A 42 -8.470 8.605 -9.997 1.00 0.00 C ATOM 641 OG SER A 42 -9.738 9.203 -10.208 1.00 0.00 O ATOM 0 H SER A 42 -7.875 8.315 -7.498 1.00 0.00 H new ATOM 0 HA SER A 42 -9.548 6.829 -9.407 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.819 9.303 -9.470 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.000 8.395 -10.958 1.00 0.00 H new ATOM 0 HG SER A 42 -9.628 10.029 -10.724 1.00 0.00 H new ATOM 647 N LYS A 43 -6.701 5.898 -8.615 1.00 0.00 N ATOM 648 CA LYS A 43 -5.591 4.999 -8.889 1.00 0.00 C ATOM 649 C LYS A 43 -5.688 3.714 -8.074 1.00 0.00 C ATOM 650 O LYS A 43 -5.959 2.644 -8.617 1.00 0.00 O ATOM 651 CB LYS A 43 -4.265 5.706 -8.593 1.00 0.00 C ATOM 652 CG LYS A 43 -3.933 6.803 -9.590 1.00 0.00 C ATOM 653 CD LYS A 43 -2.597 6.569 -10.279 1.00 0.00 C ATOM 654 CE LYS A 43 -2.790 6.109 -11.715 1.00 0.00 C ATOM 655 NZ LYS A 43 -1.633 6.476 -12.578 1.00 0.00 N ATOM 0 H LYS A 43 -6.824 6.132 -7.630 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.636 4.726 -9.943 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.306 6.135 -7.592 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.461 4.970 -8.592 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.722 6.860 -10.340 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.911 7.764 -9.076 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.012 7.489 -10.265 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.027 5.820 -9.728 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.928 5.028 -11.734 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.699 6.554 -12.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.696 5.963 -13.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.647 7.500 -12.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.747 6.222 -12.097 1.00 0.00 H new ATOM 669 N LEU A 44 -5.447 3.824 -6.774 1.00 0.00 N ATOM 670 CA LEU A 44 -5.487 2.662 -5.891 1.00 0.00 C ATOM 671 C LEU A 44 -6.908 2.168 -5.656 1.00 0.00 C ATOM 672 O LEU A 44 -7.865 2.941 -5.682 1.00 0.00 O ATOM 673 CB LEU A 44 -4.818 2.990 -4.554 1.00 0.00 C ATOM 674 CG LEU A 44 -3.368 3.470 -4.654 1.00 0.00 C ATOM 675 CD1 LEU A 44 -2.654 3.289 -3.325 1.00 0.00 C ATOM 676 CD2 LEU A 44 -2.627 2.728 -5.760 1.00 0.00 C ATOM 0 H LEU A 44 -5.222 4.703 -6.307 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.939 1.860 -6.386 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.405 3.758 -4.051 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.848 2.102 -3.923 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.378 4.532 -4.901 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.624 3.636 -3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.166 3.867 -2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.659 2.234 -3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.599 3.086 -5.812 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.629 1.659 -5.546 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.123 2.908 -6.714 1.00 0.00 H new ATOM 688 N GLN A 45 -7.028 0.864 -5.423 1.00 0.00 N ATOM 689 CA GLN A 45 -8.318 0.234 -5.174 1.00 0.00 C ATOM 690 C GLN A 45 -8.136 -1.030 -4.337 1.00 0.00 C ATOM 691 O GLN A 45 -7.103 -1.696 -4.420 1.00 0.00 O ATOM 692 CB GLN A 45 -9.009 -0.103 -6.494 1.00 0.00 C ATOM 693 CG GLN A 45 -10.478 0.280 -6.524 1.00 0.00 C ATOM 694 CD GLN A 45 -10.709 1.738 -6.180 1.00 0.00 C ATOM 695 OE1 GLN A 45 -10.241 2.636 -6.881 1.00 0.00 O ATOM 696 NE2 GLN A 45 -11.432 1.983 -5.092 1.00 0.00 N ATOM 0 H GLN A 45 -6.238 0.219 -5.402 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.945 0.934 -4.621 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.492 0.408 -7.306 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.917 -1.173 -6.680 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.882 0.076 -7.516 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.027 -0.346 -5.821 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.801 1.209 -4.540 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.618 2.945 -4.809 1.00 0.00 H new ATOM 705 N ARG A 46 -9.140 -1.355 -3.530 1.00 0.00 N ATOM 706 CA ARG A 46 -9.083 -2.538 -2.676 1.00 0.00 C ATOM 707 C ARG A 46 -8.811 -3.797 -3.495 1.00 0.00 C ATOM 708 O ARG A 46 -9.680 -4.275 -4.225 1.00 0.00 O ATOM 709 CB ARG A 46 -10.391 -2.695 -1.900 1.00 0.00 C ATOM 710 CG ARG A 46 -10.742 -1.485 -1.050 1.00 0.00 C ATOM 711 CD ARG A 46 -12.194 -1.522 -0.599 1.00 0.00 C ATOM 712 NE ARG A 46 -12.821 -0.204 -0.666 1.00 0.00 N ATOM 713 CZ ARG A 46 -12.611 0.764 0.223 1.00 0.00 C ATOM 714 NH1 ARG A 46 -11.792 0.565 1.248 1.00 0.00 N ATOM 715 NH2 ARG A 46 -13.220 1.934 0.087 1.00 0.00 N ATOM 0 H ARG A 46 -10.003 -0.817 -3.449 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.262 -2.403 -1.972 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.202 -2.881 -2.604 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.319 -3.572 -1.257 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.090 -1.451 -0.177 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.560 -0.574 -1.620 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.750 -2.220 -1.224 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.247 -1.897 0.423 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.458 -0.014 -1.440 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.320 -0.333 1.357 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.634 1.310 1.927 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.850 2.093 -0.699 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.059 2.675 0.769 1.00 0.00 H new ATOM 729 N GLY A 47 -7.600 -4.331 -3.366 1.00 0.00 N ATOM 730 CA GLY A 47 -7.235 -5.534 -4.094 1.00 0.00 C ATOM 731 C GLY A 47 -5.992 -5.348 -4.942 1.00 0.00 C ATOM 732 O GLY A 47 -5.925 -5.831 -6.072 1.00 0.00 O ATOM 0 H GLY A 47 -6.864 -3.952 -2.770 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.069 -6.346 -3.386 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.065 -5.833 -4.734 1.00 0.00 H new ATOM 736 N ASP A 48 -5.002 -4.652 -4.392 1.00 0.00 N ATOM 737 CA ASP A 48 -3.752 -4.407 -5.099 1.00 0.00 C ATOM 738 C ASP A 48 -2.571 -4.480 -4.141 1.00 0.00 C ATOM 739 O ASP A 48 -2.748 -4.433 -2.926 1.00 0.00 O ATOM 740 CB ASP A 48 -3.788 -3.040 -5.789 1.00 0.00 C ATOM 741 CG ASP A 48 -4.012 -3.153 -7.283 1.00 0.00 C ATOM 742 OD1 ASP A 48 -5.148 -3.473 -7.691 1.00 0.00 O ATOM 743 OD2 ASP A 48 -3.052 -2.917 -8.048 1.00 0.00 O ATOM 0 H ASP A 48 -5.043 -4.247 -3.457 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.631 -5.180 -5.858 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.582 -2.435 -5.350 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.850 -2.518 -5.604 1.00 0.00 H new ATOM 748 N ILE A 49 -1.367 -4.602 -4.692 1.00 0.00 N ATOM 749 CA ILE A 49 -0.162 -4.688 -3.876 1.00 0.00 C ATOM 750 C ILE A 49 0.927 -3.762 -4.401 1.00 0.00 C ATOM 751 O ILE A 49 1.373 -3.897 -5.540 1.00 0.00 O ATOM 752 CB ILE A 49 0.394 -6.126 -3.834 1.00 0.00 C ATOM 753 CG1 ILE A 49 -0.750 -7.139 -3.729 1.00 0.00 C ATOM 754 CG2 ILE A 49 1.365 -6.287 -2.676 1.00 0.00 C ATOM 755 CD1 ILE A 49 -1.104 -7.789 -5.049 1.00 0.00 C ATOM 0 H ILE A 49 -1.201 -4.643 -5.698 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.448 -4.384 -2.869 1.00 0.00 H new ATOM 0 HB ILE A 49 0.935 -6.316 -4.761 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.474 -7.914 -3.014 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.633 -6.638 -3.331 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.748 -7.308 -2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.194 -5.590 -2.797 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.850 -6.079 -1.738 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.921 -8.494 -4.900 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.411 -7.023 -5.761 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.235 -8.319 -5.439 1.00 0.00 H new ATOM 767 N ILE A 50 1.363 -2.826 -3.563 1.00 0.00 N ATOM 768 CA ILE A 50 2.408 -1.894 -3.958 1.00 0.00 C ATOM 769 C ILE A 50 3.761 -2.586 -3.969 1.00 0.00 C ATOM 770 O ILE A 50 4.382 -2.782 -2.925 1.00 0.00 O ATOM 771 CB ILE A 50 2.480 -0.677 -3.018 1.00 0.00 C ATOM 772 CG1 ILE A 50 1.092 -0.070 -2.819 1.00 0.00 C ATOM 773 CG2 ILE A 50 3.443 0.363 -3.576 1.00 0.00 C ATOM 774 CD1 ILE A 50 0.876 0.488 -1.434 1.00 0.00 C ATOM 0 H ILE A 50 1.011 -2.695 -2.615 1.00 0.00 H new ATOM 0 HA ILE A 50 2.158 -1.544 -4.960 1.00 0.00 H new ATOM 0 HB ILE A 50 2.850 -1.009 -2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.943 0.724 -3.550 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.338 -0.832 -3.018 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.485 1.219 -2.902 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.437 -0.075 -3.669 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.097 0.690 -4.557 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.129 0.903 -1.362 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.994 -0.308 -0.699 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.607 1.273 -1.240 1.00 0.00 H new ATOM 786 N THR A 51 4.209 -2.956 -5.159 1.00 0.00 N ATOM 787 CA THR A 51 5.488 -3.634 -5.315 1.00 0.00 C ATOM 788 C THR A 51 6.575 -2.655 -5.760 1.00 0.00 C ATOM 789 O THR A 51 7.622 -3.062 -6.264 1.00 0.00 O ATOM 790 CB THR A 51 5.361 -4.775 -6.326 1.00 0.00 C ATOM 791 OG1 THR A 51 5.303 -4.270 -7.649 1.00 0.00 O ATOM 792 CG2 THR A 51 4.133 -5.633 -6.108 1.00 0.00 C ATOM 0 H THR A 51 3.706 -2.798 -6.032 1.00 0.00 H new ATOM 0 HA THR A 51 5.775 -4.046 -4.348 1.00 0.00 H new ATOM 0 HB THR A 51 6.247 -5.392 -6.178 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.223 -5.015 -8.280 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.103 -6.423 -6.858 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.172 -6.078 -5.114 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.238 -5.016 -6.195 1.00 0.00 H new ATOM 800 N LYS A 52 6.319 -1.365 -5.562 1.00 0.00 N ATOM 801 CA LYS A 52 7.269 -0.323 -5.933 1.00 0.00 C ATOM 802 C LYS A 52 6.928 0.978 -5.215 1.00 0.00 C ATOM 803 O LYS A 52 5.755 1.305 -5.030 1.00 0.00 O ATOM 804 CB LYS A 52 7.266 -0.105 -7.447 1.00 0.00 C ATOM 805 CG LYS A 52 8.593 -0.438 -8.111 1.00 0.00 C ATOM 806 CD LYS A 52 9.284 0.810 -8.640 1.00 0.00 C ATOM 807 CE LYS A 52 10.625 0.479 -9.272 1.00 0.00 C ATOM 808 NZ LYS A 52 10.880 1.292 -10.493 1.00 0.00 N ATOM 0 H LYS A 52 5.456 -1.016 -5.144 1.00 0.00 H new ATOM 0 HA LYS A 52 8.267 -0.643 -5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.482 -0.717 -7.893 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.015 0.935 -7.656 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.244 -0.938 -7.394 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.425 -1.137 -8.931 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.644 1.297 -9.376 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.430 1.519 -7.825 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.420 0.653 -8.547 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.654 -0.580 -9.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.833 1.085 -10.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.175 1.057 -11.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.811 2.303 -10.258 1.00 0.00 H new ATOM 822 N PHE A 53 7.953 1.712 -4.804 1.00 0.00 N ATOM 823 CA PHE A 53 7.750 2.968 -4.096 1.00 0.00 C ATOM 824 C PHE A 53 8.913 3.927 -4.334 1.00 0.00 C ATOM 825 O PHE A 53 10.022 3.708 -3.849 1.00 0.00 O ATOM 826 CB PHE A 53 7.589 2.693 -2.600 1.00 0.00 C ATOM 827 CG PHE A 53 7.262 3.906 -1.783 1.00 0.00 C ATOM 828 CD1 PHE A 53 5.947 4.273 -1.564 1.00 0.00 C ATOM 829 CD2 PHE A 53 8.271 4.674 -1.223 1.00 0.00 C ATOM 830 CE1 PHE A 53 5.638 5.384 -0.804 1.00 0.00 C ATOM 831 CE2 PHE A 53 7.971 5.786 -0.461 1.00 0.00 C ATOM 832 CZ PHE A 53 6.653 6.141 -0.251 1.00 0.00 C ATOM 0 H PHE A 53 8.931 1.460 -4.948 1.00 0.00 H new ATOM 0 HA PHE A 53 6.844 3.439 -4.478 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.801 1.952 -2.461 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.511 2.252 -2.222 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.151 3.683 -1.993 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.303 4.400 -1.384 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.606 5.660 -0.642 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.766 6.377 -0.030 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.416 7.010 0.345 1.00 0.00 H new ATOM 842 N ASN A 54 8.647 4.991 -5.087 1.00 0.00 N ATOM 843 CA ASN A 54 9.667 5.990 -5.394 1.00 0.00 C ATOM 844 C ASN A 54 10.926 5.331 -5.957 1.00 0.00 C ATOM 845 O ASN A 54 12.025 5.518 -5.433 1.00 0.00 O ATOM 846 CB ASN A 54 10.013 6.798 -4.142 1.00 0.00 C ATOM 847 CG ASN A 54 9.165 8.051 -4.009 1.00 0.00 C ATOM 848 OD1 ASN A 54 9.141 8.893 -4.905 1.00 0.00 O ATOM 849 ND2 ASN A 54 8.466 8.176 -2.888 1.00 0.00 N ATOM 0 H ASN A 54 7.733 5.184 -5.496 1.00 0.00 H new ATOM 0 HA ASN A 54 9.264 6.663 -6.151 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.874 6.173 -3.260 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.066 7.077 -4.172 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.878 8.996 -2.743 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.517 7.452 -2.172 1.00 0.00 H new ATOM 856 N GLY A 55 10.755 4.558 -7.023 1.00 0.00 N ATOM 857 CA GLY A 55 11.884 3.882 -7.635 1.00 0.00 C ATOM 858 C GLY A 55 12.535 2.882 -6.698 1.00 0.00 C ATOM 859 O GLY A 55 13.706 2.542 -6.859 1.00 0.00 O ATOM 0 H GLY A 55 9.856 4.387 -7.474 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.551 3.368 -8.537 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.623 4.621 -7.944 1.00 0.00 H new ATOM 863 N ASP A 56 11.772 2.410 -5.717 1.00 0.00 N ATOM 864 CA ASP A 56 12.279 1.443 -4.752 1.00 0.00 C ATOM 865 C ASP A 56 11.366 0.224 -4.676 1.00 0.00 C ATOM 866 O ASP A 56 10.328 0.254 -4.014 1.00 0.00 O ATOM 867 CB ASP A 56 12.404 2.087 -3.371 1.00 0.00 C ATOM 868 CG ASP A 56 13.366 1.338 -2.469 1.00 0.00 C ATOM 869 OD1 ASP A 56 14.539 1.165 -2.863 1.00 0.00 O ATOM 870 OD2 ASP A 56 12.945 0.923 -1.367 1.00 0.00 O ATOM 0 H ASP A 56 10.800 2.682 -5.570 1.00 0.00 H new ATOM 0 HA ASP A 56 13.265 1.118 -5.084 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.742 3.117 -3.483 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.422 2.123 -2.900 1.00 0.00 H new ATOM 875 N ALA A 57 11.760 -0.846 -5.357 1.00 0.00 N ATOM 876 CA ALA A 57 10.977 -2.076 -5.369 1.00 0.00 C ATOM 877 C ALA A 57 10.718 -2.581 -3.954 1.00 0.00 C ATOM 878 O ALA A 57 11.654 -2.865 -3.205 1.00 0.00 O ATOM 879 CB ALA A 57 11.685 -3.142 -6.192 1.00 0.00 C ATOM 0 H ALA A 57 12.617 -0.887 -5.908 1.00 0.00 H new ATOM 0 HA ALA A 57 10.012 -1.858 -5.827 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.090 -4.055 -6.193 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.809 -2.789 -7.216 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.664 -3.347 -5.758 1.00 0.00 H new ATOM 885 N LEU A 58 9.443 -2.695 -3.597 1.00 0.00 N ATOM 886 CA LEU A 58 9.061 -3.172 -2.272 1.00 0.00 C ATOM 887 C LEU A 58 8.833 -4.683 -2.276 1.00 0.00 C ATOM 888 O LEU A 58 8.216 -5.228 -1.360 1.00 0.00 O ATOM 889 CB LEU A 58 7.793 -2.454 -1.795 1.00 0.00 C ATOM 890 CG LEU A 58 7.766 -0.943 -2.048 1.00 0.00 C ATOM 891 CD1 LEU A 58 6.331 -0.433 -2.114 1.00 0.00 C ATOM 892 CD2 LEU A 58 8.543 -0.207 -0.967 1.00 0.00 C ATOM 0 H LEU A 58 8.658 -2.464 -4.205 1.00 0.00 H new ATOM 0 HA LEU A 58 9.878 -2.950 -1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.932 -2.905 -2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.675 -2.630 -0.726 1.00 0.00 H new ATOM 0 HG LEU A 58 8.243 -0.749 -3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.335 0.642 -2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.803 -0.935 -2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.827 -0.641 -1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.513 0.865 -1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.095 -0.411 0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.579 -0.547 -0.968 1.00 0.00 H new ATOM 904 N GLU A 59 9.334 -5.359 -3.311 1.00 0.00 N ATOM 905 CA GLU A 59 9.182 -6.804 -3.428 1.00 0.00 C ATOM 906 C GLU A 59 10.174 -7.536 -2.530 1.00 0.00 C ATOM 907 O GLU A 59 11.379 -7.289 -2.588 1.00 0.00 O ATOM 908 CB GLU A 59 9.375 -7.240 -4.882 1.00 0.00 C ATOM 909 CG GLU A 59 9.190 -8.733 -5.099 1.00 0.00 C ATOM 910 CD GLU A 59 9.781 -9.208 -6.412 1.00 0.00 C ATOM 911 OE1 GLU A 59 10.715 -8.548 -6.916 1.00 0.00 O ATOM 912 OE2 GLU A 59 9.313 -10.241 -6.936 1.00 0.00 O ATOM 0 H GLU A 59 9.848 -4.926 -4.078 1.00 0.00 H new ATOM 0 HA GLU A 59 8.173 -7.063 -3.106 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.668 -6.699 -5.512 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.375 -6.955 -5.208 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.656 -9.277 -4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.127 -8.971 -5.076 1.00 0.00 H new ATOM 919 N GLY A 60 9.660 -8.442 -1.706 1.00 0.00 N ATOM 920 CA GLY A 60 10.513 -9.200 -0.810 1.00 0.00 C ATOM 921 C GLY A 60 10.629 -8.569 0.564 1.00 0.00 C ATOM 922 O GLY A 60 10.938 -9.251 1.542 1.00 0.00 O ATOM 0 H GLY A 60 8.667 -8.665 -1.642 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.118 -10.211 -0.708 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.507 -9.288 -1.249 1.00 0.00 H new ATOM 926 N LEU A 61 10.385 -7.265 0.641 1.00 0.00 N ATOM 927 CA LEU A 61 10.468 -6.546 1.907 1.00 0.00 C ATOM 928 C LEU A 61 9.209 -6.761 2.745 1.00 0.00 C ATOM 929 O LEU A 61 8.116 -6.928 2.204 1.00 0.00 O ATOM 930 CB LEU A 61 10.676 -5.050 1.655 1.00 0.00 C ATOM 931 CG LEU A 61 11.773 -4.709 0.645 1.00 0.00 C ATOM 932 CD1 LEU A 61 11.643 -3.266 0.183 1.00 0.00 C ATOM 933 CD2 LEU A 61 13.147 -4.958 1.248 1.00 0.00 C ATOM 0 H LEU A 61 10.128 -6.685 -0.158 1.00 0.00 H new ATOM 0 HA LEU A 61 11.321 -6.939 2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.736 -4.622 1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.913 -4.567 2.603 1.00 0.00 H new ATOM 0 HG LEU A 61 11.657 -5.357 -0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.432 -3.041 -0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.671 -3.121 -0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.733 -2.600 1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.916 -4.710 0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.274 -4.335 2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.237 -6.008 1.528 1.00 0.00 H new ATOM 945 N PRO A 62 9.350 -6.757 4.082 1.00 0.00 N ATOM 946 CA PRO A 62 8.217 -6.949 4.995 1.00 0.00 C ATOM 947 C PRO A 62 7.232 -5.787 4.943 1.00 0.00 C ATOM 948 O PRO A 62 7.311 -4.934 4.059 1.00 0.00 O ATOM 949 CB PRO A 62 8.878 -7.020 6.375 1.00 0.00 C ATOM 950 CG PRO A 62 10.171 -6.298 6.217 1.00 0.00 C ATOM 951 CD PRO A 62 10.618 -6.561 4.807 1.00 0.00 C ATOM 0 HA PRO A 62 7.635 -7.834 4.739 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.254 -6.552 7.137 1.00 0.00 H new ATOM 0 HB3 PRO A 62 9.037 -8.053 6.684 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.046 -5.230 6.395 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.909 -6.657 6.934 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.188 -5.724 4.403 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.257 -7.442 4.745 1.00 0.00 H new ATOM 959 N PHE A 63 6.308 -5.754 5.897 1.00 0.00 N ATOM 960 CA PHE A 63 5.315 -4.689 5.955 1.00 0.00 C ATOM 961 C PHE A 63 5.846 -3.503 6.751 1.00 0.00 C ATOM 962 O PHE A 63 5.457 -2.361 6.512 1.00 0.00 O ATOM 963 CB PHE A 63 4.012 -5.191 6.577 1.00 0.00 C ATOM 964 CG PHE A 63 2.904 -4.176 6.537 1.00 0.00 C ATOM 965 CD1 PHE A 63 2.711 -3.385 5.413 1.00 0.00 C ATOM 966 CD2 PHE A 63 2.056 -4.011 7.620 1.00 0.00 C ATOM 967 CE1 PHE A 63 1.694 -2.452 5.372 1.00 0.00 C ATOM 968 CE2 PHE A 63 1.038 -3.077 7.585 1.00 0.00 C ATOM 969 CZ PHE A 63 0.856 -2.297 6.460 1.00 0.00 C ATOM 0 H PHE A 63 6.226 -6.450 6.638 1.00 0.00 H new ATOM 0 HA PHE A 63 5.111 -4.366 4.934 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.690 -6.091 6.053 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.198 -5.475 7.613 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.364 -3.501 4.561 1.00 0.00 H new ATOM 0 HD2 PHE A 63 2.192 -4.619 8.502 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.554 -1.844 4.491 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.385 -2.957 8.437 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.060 -1.567 6.430 1.00 0.00 H new ATOM 979 N GLN A 64 6.739 -3.778 7.697 1.00 0.00 N ATOM 980 CA GLN A 64 7.323 -2.724 8.518 1.00 0.00 C ATOM 981 C GLN A 64 8.014 -1.688 7.640 1.00 0.00 C ATOM 982 O GLN A 64 7.889 -0.484 7.864 1.00 0.00 O ATOM 983 CB GLN A 64 8.322 -3.316 9.515 1.00 0.00 C ATOM 984 CG GLN A 64 9.406 -4.159 8.865 1.00 0.00 C ATOM 985 CD GLN A 64 9.918 -5.256 9.779 1.00 0.00 C ATOM 986 OE1 GLN A 64 11.119 -5.363 10.025 1.00 0.00 O ATOM 987 NE2 GLN A 64 9.007 -6.077 10.287 1.00 0.00 N ATOM 0 H GLN A 64 7.072 -4.717 7.913 1.00 0.00 H new ATOM 0 HA GLN A 64 6.521 -2.236 9.072 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.790 -2.504 10.072 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.782 -3.928 10.237 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.015 -4.606 7.951 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.237 -3.516 8.575 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.022 -5.951 10.056 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.292 -6.834 10.909 1.00 0.00 H new ATOM 996 N VAL A 65 8.736 -2.167 6.632 1.00 0.00 N ATOM 997 CA VAL A 65 9.441 -1.285 5.712 1.00 0.00 C ATOM 998 C VAL A 65 8.454 -0.463 4.888 1.00 0.00 C ATOM 999 O VAL A 65 8.529 0.766 4.856 1.00 0.00 O ATOM 1000 CB VAL A 65 10.358 -2.077 4.760 1.00 0.00 C ATOM 1001 CG1 VAL A 65 11.167 -1.132 3.884 1.00 0.00 C ATOM 1002 CG2 VAL A 65 11.275 -3.000 5.548 1.00 0.00 C ATOM 0 H VAL A 65 8.848 -3.161 6.433 1.00 0.00 H new ATOM 0 HA VAL A 65 10.056 -0.618 6.316 1.00 0.00 H new ATOM 0 HB VAL A 65 9.733 -2.690 4.111 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.808 -1.711 3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.490 -0.517 3.291 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.783 -0.490 4.514 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.915 -3.551 4.859 1.00 0.00 H new ATOM 0 HG22 VAL A 65 11.893 -2.409 6.224 1.00 0.00 H new ATOM 0 HG23 VAL A 65 10.675 -3.702 6.126 1.00 0.00 H new ATOM 1012 N CYS A 66 7.524 -1.149 4.228 1.00 0.00 N ATOM 1013 CA CYS A 66 6.518 -0.481 3.408 1.00 0.00 C ATOM 1014 C CYS A 66 5.743 0.543 4.230 1.00 0.00 C ATOM 1015 O CYS A 66 5.655 1.714 3.865 1.00 0.00 O ATOM 1016 CB CYS A 66 5.555 -1.508 2.811 1.00 0.00 C ATOM 1017 SG CYS A 66 6.307 -2.593 1.577 1.00 0.00 S ATOM 0 H CYS A 66 7.447 -2.166 4.245 1.00 0.00 H new ATOM 0 HA CYS A 66 7.029 0.040 2.599 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.147 -2.119 3.616 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.717 -0.982 2.354 1.00 0.00 H new ATOM 0 HG CYS A 66 6.817 -3.633 2.167 1.00 0.00 H new ATOM 1023 N TYR A 67 5.186 0.097 5.349 1.00 0.00 N ATOM 1024 CA TYR A 67 4.425 0.978 6.224 1.00 0.00 C ATOM 1025 C TYR A 67 5.274 2.168 6.669 1.00 0.00 C ATOM 1026 O TYR A 67 4.753 3.253 6.920 1.00 0.00 O ATOM 1027 CB TYR A 67 3.929 0.212 7.450 1.00 0.00 C ATOM 1028 CG TYR A 67 2.844 0.940 8.211 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.595 1.151 7.642 1.00 0.00 C ATOM 1030 CD2 TYR A 67 3.073 1.419 9.494 1.00 0.00 C ATOM 1031 CE1 TYR A 67 0.601 1.821 8.332 1.00 0.00 C ATOM 1032 CE2 TYR A 67 2.085 2.089 10.190 1.00 0.00 C ATOM 1033 CZ TYR A 67 0.852 2.287 9.606 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.134 2.956 10.295 1.00 0.00 O ATOM 0 H TYR A 67 5.247 -0.869 5.671 1.00 0.00 H new ATOM 0 HA TYR A 67 3.568 1.350 5.664 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.552 -0.761 7.134 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.770 0.026 8.118 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.397 0.786 6.645 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.038 1.266 9.955 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.365 1.978 7.876 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.278 2.456 11.187 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.708 3.435 9.662 1.00 0.00 H new ATOM 1044 N ALA A 68 6.583 1.946 6.782 1.00 0.00 N ATOM 1045 CA ALA A 68 7.504 2.992 7.222 1.00 0.00 C ATOM 1046 C ALA A 68 7.720 4.071 6.162 1.00 0.00 C ATOM 1047 O ALA A 68 7.591 5.262 6.450 1.00 0.00 O ATOM 1048 CB ALA A 68 8.839 2.374 7.602 1.00 0.00 C ATOM 0 H ALA A 68 7.029 1.052 6.575 1.00 0.00 H new ATOM 0 HA ALA A 68 7.051 3.476 8.087 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.523 3.157 7.929 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.692 1.659 8.412 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.262 1.861 6.738 1.00 0.00 H new ATOM 1054 N LEU A 69 8.051 3.663 4.941 1.00 0.00 N ATOM 1055 CA LEU A 69 8.283 4.625 3.866 1.00 0.00 C ATOM 1056 C LEU A 69 6.984 5.319 3.488 1.00 0.00 C ATOM 1057 O LEU A 69 6.968 6.514 3.194 1.00 0.00 O ATOM 1058 CB LEU A 69 8.895 3.947 2.638 1.00 0.00 C ATOM 1059 CG LEU A 69 8.258 2.612 2.253 1.00 0.00 C ATOM 1060 CD1 LEU A 69 7.587 2.708 0.893 1.00 0.00 C ATOM 1061 CD2 LEU A 69 9.300 1.502 2.258 1.00 0.00 C ATOM 0 H LEU A 69 8.164 2.686 4.672 1.00 0.00 H new ATOM 0 HA LEU A 69 8.991 5.370 4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.818 4.627 1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.957 3.786 2.822 1.00 0.00 H new ATOM 0 HG LEU A 69 7.495 2.372 2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.140 1.747 0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.810 3.472 0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.328 2.974 0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.828 0.559 1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.087 1.738 1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.732 1.413 3.255 1.00 0.00 H new ATOM 1073 N PHE A 70 5.891 4.565 3.513 1.00 0.00 N ATOM 1074 CA PHE A 70 4.586 5.117 3.187 1.00 0.00 C ATOM 1075 C PHE A 70 4.153 6.101 4.267 1.00 0.00 C ATOM 1076 O PHE A 70 3.474 7.088 3.987 1.00 0.00 O ATOM 1077 CB PHE A 70 3.553 3.999 3.039 1.00 0.00 C ATOM 1078 CG PHE A 70 3.432 3.486 1.631 1.00 0.00 C ATOM 1079 CD1 PHE A 70 2.579 4.099 0.729 1.00 0.00 C ATOM 1080 CD2 PHE A 70 4.176 2.396 1.209 1.00 0.00 C ATOM 1081 CE1 PHE A 70 2.469 3.634 -0.567 1.00 0.00 C ATOM 1082 CE2 PHE A 70 4.073 1.929 -0.086 1.00 0.00 C ATOM 1083 CZ PHE A 70 3.218 2.548 -0.976 1.00 0.00 C ATOM 0 H PHE A 70 5.884 3.574 3.755 1.00 0.00 H new ATOM 0 HA PHE A 70 4.657 5.646 2.236 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.824 3.174 3.697 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.581 4.365 3.370 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.993 4.950 1.042 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.844 1.906 1.901 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.798 4.119 -1.260 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.661 1.080 -0.403 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.135 2.184 -1.989 1.00 0.00 H new ATOM 1093 N LYS A 71 4.572 5.833 5.503 1.00 0.00 N ATOM 1094 CA LYS A 71 4.248 6.705 6.626 1.00 0.00 C ATOM 1095 C LYS A 71 5.200 7.893 6.660 1.00 0.00 C ATOM 1096 O LYS A 71 4.817 9.003 7.031 1.00 0.00 O ATOM 1097 CB LYS A 71 4.335 5.938 7.946 1.00 0.00 C ATOM 1098 CG LYS A 71 3.035 5.259 8.343 1.00 0.00 C ATOM 1099 CD LYS A 71 2.828 5.293 9.847 1.00 0.00 C ATOM 1100 CE LYS A 71 2.366 6.662 10.315 1.00 0.00 C ATOM 1101 NZ LYS A 71 1.387 6.567 11.433 1.00 0.00 N ATOM 0 H LYS A 71 5.136 5.020 5.750 1.00 0.00 H new ATOM 0 HA LYS A 71 3.228 7.065 6.496 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.119 5.185 7.868 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.632 6.626 8.737 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.199 5.753 7.848 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.043 4.225 7.999 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.090 4.542 10.131 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.759 5.031 10.349 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.229 7.246 10.637 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.913 7.197 9.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.097 7.523 11.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.552 6.032 11.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.827 6.080 12.239 1.00 0.00 H new ATOM 1115 N GLY A 72 6.445 7.647 6.265 1.00 0.00 N ATOM 1116 CA GLY A 72 7.444 8.697 6.250 1.00 0.00 C ATOM 1117 C GLY A 72 7.365 9.553 5.003 1.00 0.00 C ATOM 1118 O GLY A 72 7.804 10.702 5.007 1.00 0.00 O ATOM 0 H GLY A 72 6.780 6.735 5.954 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.316 9.328 7.129 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.436 8.251 6.319 1.00 0.00 H new ATOM 1122 N ALA A 73 6.804 8.995 3.931 1.00 0.00 N ATOM 1123 CA ALA A 73 6.665 9.713 2.670 1.00 0.00 C ATOM 1124 C ALA A 73 6.129 11.125 2.892 1.00 0.00 C ATOM 1125 O ALA A 73 5.229 11.334 3.705 1.00 0.00 O ATOM 1126 CB ALA A 73 5.748 8.942 1.735 1.00 0.00 C ATOM 0 H ALA A 73 6.438 8.043 3.914 1.00 0.00 H new ATOM 0 HA ALA A 73 7.652 9.799 2.216 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.648 9.484 0.795 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.170 7.956 1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.767 8.833 2.196 1.00 0.00 H new ATOM 1132 N ASN A 74 6.682 12.091 2.167 1.00 0.00 N ATOM 1133 CA ASN A 74 6.245 13.478 2.294 1.00 0.00 C ATOM 1134 C ASN A 74 6.861 14.362 1.212 1.00 0.00 C ATOM 1135 O ASN A 74 7.997 14.816 1.335 1.00 0.00 O ATOM 1136 CB ASN A 74 6.593 14.027 3.681 1.00 0.00 C ATOM 1137 CG ASN A 74 8.087 14.090 3.927 1.00 0.00 C ATOM 1138 OD1 ASN A 74 8.698 15.156 3.850 1.00 0.00 O ATOM 1139 ND2 ASN A 74 8.683 12.945 4.227 1.00 0.00 N ATOM 0 H ASN A 74 7.429 11.942 1.489 1.00 0.00 H new ATOM 0 HA ASN A 74 5.163 13.493 2.166 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.169 15.025 3.789 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.130 13.400 4.442 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.687 12.924 4.405 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.138 12.085 4.280 1.00 0.00 H new ATOM 1146 N GLY A 75 6.096 14.605 0.152 1.00 0.00 N ATOM 1147 CA GLY A 75 6.577 15.440 -0.934 1.00 0.00 C ATOM 1148 C GLY A 75 6.744 14.670 -2.227 1.00 0.00 C ATOM 1149 O GLY A 75 7.768 14.021 -2.442 1.00 0.00 O ATOM 0 H GLY A 75 5.152 14.239 0.026 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.879 16.262 -1.092 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.533 15.882 -0.652 1.00 0.00 H new ATOM 1153 N LYS A 76 5.733 14.735 -3.092 1.00 0.00 N ATOM 1154 CA LYS A 76 5.777 14.029 -4.367 1.00 0.00 C ATOM 1155 C LYS A 76 6.146 12.567 -4.153 1.00 0.00 C ATOM 1156 O LYS A 76 7.319 12.195 -4.188 1.00 0.00 O ATOM 1157 CB LYS A 76 6.787 14.693 -5.301 1.00 0.00 C ATOM 1158 CG LYS A 76 6.665 14.246 -6.747 1.00 0.00 C ATOM 1159 CD LYS A 76 5.811 15.209 -7.554 1.00 0.00 C ATOM 1160 CE LYS A 76 4.378 14.717 -7.675 1.00 0.00 C ATOM 1161 NZ LYS A 76 4.221 13.721 -8.773 1.00 0.00 N ATOM 0 H LYS A 76 4.878 15.267 -2.932 1.00 0.00 H new ATOM 0 HA LYS A 76 4.788 14.076 -4.824 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.658 15.774 -5.252 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.794 14.476 -4.946 1.00 0.00 H new ATOM 0 HG2 LYS A 76 7.657 14.176 -7.193 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.227 13.249 -6.786 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.821 16.190 -7.080 1.00 0.00 H new ATOM 0 HD3 LYS A 76 6.240 15.331 -8.549 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.068 14.268 -6.731 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.718 15.565 -7.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.229 13.411 -8.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.492 14.156 -9.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.832 12.900 -8.587 1.00 0.00 H new ATOM 1175 N VAL A 77 5.132 11.752 -3.908 1.00 0.00 N ATOM 1176 CA VAL A 77 5.323 10.334 -3.658 1.00 0.00 C ATOM 1177 C VAL A 77 4.700 9.490 -4.768 1.00 0.00 C ATOM 1178 O VAL A 77 3.548 9.691 -5.141 1.00 0.00 O ATOM 1179 CB VAL A 77 4.711 9.967 -2.294 1.00 0.00 C ATOM 1180 CG1 VAL A 77 4.358 8.497 -2.205 1.00 0.00 C ATOM 1181 CG2 VAL A 77 5.655 10.362 -1.171 1.00 0.00 C ATOM 0 H VAL A 77 4.158 12.054 -3.877 1.00 0.00 H new ATOM 0 HA VAL A 77 6.392 10.123 -3.643 1.00 0.00 H new ATOM 0 HB VAL A 77 3.781 10.526 -2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.930 8.284 -1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.633 8.249 -2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.258 7.898 -2.345 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.210 10.097 -0.212 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.602 9.836 -1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.831 11.437 -1.205 1.00 0.00 H new ATOM 1191 N SER A 78 5.473 8.545 -5.286 1.00 0.00 N ATOM 1192 CA SER A 78 5.001 7.668 -6.356 1.00 0.00 C ATOM 1193 C SER A 78 5.104 6.203 -5.944 1.00 0.00 C ATOM 1194 O SER A 78 6.079 5.795 -5.312 1.00 0.00 O ATOM 1195 CB SER A 78 5.808 7.908 -7.634 1.00 0.00 C ATOM 1196 OG SER A 78 5.107 7.444 -8.775 1.00 0.00 O ATOM 0 H SER A 78 6.430 8.364 -4.984 1.00 0.00 H new ATOM 0 HA SER A 78 3.953 7.901 -6.547 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.018 8.972 -7.740 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.769 7.399 -7.562 1.00 0.00 H new ATOM 0 HG SER A 78 5.643 7.610 -9.578 1.00 0.00 H new ATOM 1202 N MET A 79 4.091 5.413 -6.299 1.00 0.00 N ATOM 1203 CA MET A 79 4.078 3.994 -5.954 1.00 0.00 C ATOM 1204 C MET A 79 3.478 3.148 -7.072 1.00 0.00 C ATOM 1205 O MET A 79 2.378 3.424 -7.551 1.00 0.00 O ATOM 1206 CB MET A 79 3.292 3.754 -4.659 1.00 0.00 C ATOM 1207 CG MET A 79 3.157 4.981 -3.770 1.00 0.00 C ATOM 1208 SD MET A 79 1.737 6.003 -4.203 1.00 0.00 S ATOM 1209 CE MET A 79 0.681 5.738 -2.780 1.00 0.00 C ATOM 0 H MET A 79 3.274 5.730 -6.822 1.00 0.00 H new ATOM 0 HA MET A 79 5.116 3.693 -5.809 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.295 3.394 -4.915 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.782 2.962 -4.093 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.067 4.663 -2.731 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.065 5.579 -3.843 1.00 0.00 H new ATOM 0 HE1 MET A 79 -0.217 6.348 -2.875 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.401 4.686 -2.726 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.216 6.018 -1.873 1.00 0.00 H new ATOM 1219 N GLU A 80 4.196 2.100 -7.467 1.00 0.00 N ATOM 1220 CA GLU A 80 3.716 1.200 -8.510 1.00 0.00 C ATOM 1221 C GLU A 80 2.934 0.054 -7.883 1.00 0.00 C ATOM 1222 O GLU A 80 3.506 -0.824 -7.236 1.00 0.00 O ATOM 1223 CB GLU A 80 4.877 0.649 -9.347 1.00 0.00 C ATOM 1224 CG GLU A 80 4.682 0.826 -10.845 1.00 0.00 C ATOM 1225 CD GLU A 80 5.930 1.327 -11.545 1.00 0.00 C ATOM 1226 OE1 GLU A 80 7.009 1.317 -10.916 1.00 0.00 O ATOM 1227 OE2 GLU A 80 5.828 1.731 -12.722 1.00 0.00 O ATOM 0 H GLU A 80 5.108 1.854 -7.082 1.00 0.00 H new ATOM 0 HA GLU A 80 3.062 1.766 -9.174 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.799 1.147 -9.047 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.002 -0.411 -9.128 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.383 -0.126 -11.283 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.866 1.527 -11.020 1.00 0.00 H new ATOM 1234 N VAL A 81 1.622 0.080 -8.064 1.00 0.00 N ATOM 1235 CA VAL A 81 0.752 -0.945 -7.500 1.00 0.00 C ATOM 1236 C VAL A 81 0.460 -2.050 -8.499 1.00 0.00 C ATOM 1237 O VAL A 81 0.291 -1.801 -9.691 1.00 0.00 O ATOM 1238 CB VAL A 81 -0.580 -0.355 -7.012 1.00 0.00 C ATOM 1239 CG1 VAL A 81 -0.415 0.265 -5.637 1.00 0.00 C ATOM 1240 CG2 VAL A 81 -1.107 0.664 -8.001 1.00 0.00 C ATOM 0 H VAL A 81 1.135 0.800 -8.597 1.00 0.00 H new ATOM 0 HA VAL A 81 1.292 -1.364 -6.651 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.308 -1.163 -6.937 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.368 0.678 -5.307 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.086 -0.498 -4.931 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.328 1.061 -5.684 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.051 1.070 -7.637 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.383 1.472 -8.112 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.267 0.185 -8.967 1.00 0.00 H new ATOM 1250 N THR A 82 0.394 -3.275 -7.994 1.00 0.00 N ATOM 1251 CA THR A 82 0.114 -4.437 -8.822 1.00 0.00 C ATOM 1252 C THR A 82 -1.288 -4.965 -8.532 1.00 0.00 C ATOM 1253 O THR A 82 -1.627 -5.246 -7.383 1.00 0.00 O ATOM 1254 CB THR A 82 1.157 -5.527 -8.565 1.00 0.00 C ATOM 1255 OG1 THR A 82 2.436 -5.110 -9.010 1.00 0.00 O ATOM 1256 CG2 THR A 82 0.842 -6.842 -9.243 1.00 0.00 C ATOM 0 H THR A 82 0.532 -3.489 -7.006 1.00 0.00 H new ATOM 0 HA THR A 82 0.165 -4.144 -9.871 1.00 0.00 H new ATOM 0 HB THR A 82 1.142 -5.686 -7.487 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.838 -4.517 -8.341 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.625 -7.565 -9.015 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.115 -7.218 -8.882 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.789 -6.692 -10.321 1.00 0.00 H new ATOM 1264 N ARG A 83 -2.099 -5.088 -9.577 1.00 0.00 N ATOM 1265 CA ARG A 83 -3.466 -5.573 -9.430 1.00 0.00 C ATOM 1266 C ARG A 83 -3.610 -6.987 -9.986 1.00 0.00 C ATOM 1267 O ARG A 83 -3.777 -7.174 -11.193 1.00 0.00 O ATOM 1268 CB ARG A 83 -4.440 -4.631 -10.139 1.00 0.00 C ATOM 1269 CG ARG A 83 -5.903 -4.964 -9.890 1.00 0.00 C ATOM 1270 CD ARG A 83 -6.809 -3.806 -10.276 1.00 0.00 C ATOM 1271 NE ARG A 83 -8.153 -4.257 -10.631 1.00 0.00 N ATOM 1272 CZ ARG A 83 -9.019 -3.528 -11.332 1.00 0.00 C ATOM 1273 NH1 ARG A 83 -8.686 -2.315 -11.754 1.00 0.00 N ATOM 1274 NH2 ARG A 83 -10.220 -4.014 -11.610 1.00 0.00 N ATOM 0 H ARG A 83 -1.833 -4.859 -10.535 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.702 -5.598 -8.366 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.248 -3.610 -9.810 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.247 -4.663 -11.211 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.179 -5.850 -10.462 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.048 -5.206 -8.837 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.870 -3.102 -9.446 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.372 -3.269 -11.118 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.445 -5.185 -10.324 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.763 -1.937 -11.542 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.353 -1.761 -12.291 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.480 -4.946 -11.287 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.884 -3.456 -12.147 1.00 0.00 H new ATOM 1288 N PRO A 84 -3.550 -8.007 -9.112 1.00 0.00 N ATOM 1289 CA PRO A 84 -3.677 -9.407 -9.525 1.00 0.00 C ATOM 1290 C PRO A 84 -4.941 -9.657 -10.340 1.00 0.00 C ATOM 1291 O PRO A 84 -5.688 -8.729 -10.646 1.00 0.00 O ATOM 1292 CB PRO A 84 -3.739 -10.168 -8.199 1.00 0.00 C ATOM 1293 CG PRO A 84 -3.062 -9.278 -7.214 1.00 0.00 C ATOM 1294 CD PRO A 84 -3.353 -7.873 -7.657 1.00 0.00 C ATOM 0 HA PRO A 84 -2.854 -9.716 -10.170 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -4.770 -10.369 -7.907 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -3.235 -11.132 -8.273 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.437 -9.455 -6.206 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -1.989 -9.466 -7.192 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.240 -7.473 -7.167 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.529 -7.199 -7.424 1.00 0.00 H new ATOM 1572 N GLN A 103 -8.967 1.523 9.782 1.00 0.00 N ATOM 1573 CA GLN A 103 -7.973 0.656 9.176 1.00 0.00 C ATOM 1574 C GLN A 103 -6.554 1.119 9.471 1.00 0.00 C ATOM 1575 O GLN A 103 -6.343 2.188 10.041 1.00 0.00 O ATOM 1576 CB GLN A 103 -8.194 0.632 7.666 1.00 0.00 C ATOM 1577 CG GLN A 103 -9.469 -0.077 7.263 1.00 0.00 C ATOM 1578 CD GLN A 103 -9.240 -1.532 6.901 1.00 0.00 C ATOM 1579 OE1 GLN A 103 -8.670 -1.842 5.854 1.00 0.00 O ATOM 1580 NE2 GLN A 103 -9.680 -2.434 7.771 1.00 0.00 N ATOM 0 HA GLN A 103 -8.089 -0.341 9.601 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -8.221 1.656 7.293 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -7.346 0.141 7.189 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -10.186 -0.019 8.082 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -9.914 0.439 6.412 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -10.147 -2.132 8.626 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -9.551 -3.428 7.584 1.00 0.00 H new ATOM 1589 N TYR A 104 -5.580 0.316 9.051 1.00 0.00 N ATOM 1590 CA TYR A 104 -4.183 0.666 9.242 1.00 0.00 C ATOM 1591 C TYR A 104 -3.806 1.717 8.212 1.00 0.00 C ATOM 1592 O TYR A 104 -3.492 1.394 7.068 1.00 0.00 O ATOM 1593 CB TYR A 104 -3.292 -0.570 9.084 1.00 0.00 C ATOM 1594 CG TYR A 104 -1.958 -0.459 9.788 1.00 0.00 C ATOM 1595 CD1 TYR A 104 -1.870 0.055 11.076 1.00 0.00 C ATOM 1596 CD2 TYR A 104 -0.784 -0.878 9.170 1.00 0.00 C ATOM 1597 CE1 TYR A 104 -0.655 0.152 11.725 1.00 0.00 C ATOM 1598 CE2 TYR A 104 0.435 -0.786 9.814 1.00 0.00 C ATOM 1599 CZ TYR A 104 0.493 -0.271 11.091 1.00 0.00 C ATOM 1600 OH TYR A 104 1.707 -0.178 11.736 1.00 0.00 O ATOM 0 H TYR A 104 -5.735 -0.575 8.580 1.00 0.00 H new ATOM 0 HA TYR A 104 -4.038 1.059 10.248 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -3.823 -1.440 9.469 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -3.118 -0.747 8.023 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -2.768 0.384 11.578 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -0.826 -1.282 8.169 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.605 0.557 12.725 1.00 0.00 H new ATOM 0 HE2 TYR A 104 1.337 -1.116 9.320 1.00 0.00 H new ATOM 0 HH TYR A 104 2.356 0.263 11.149 1.00 0.00 H new ATOM 1610 N TRP A 105 -3.863 2.975 8.616 1.00 0.00 N ATOM 1611 CA TRP A 105 -3.556 4.074 7.715 1.00 0.00 C ATOM 1612 C TRP A 105 -2.155 4.620 7.963 1.00 0.00 C ATOM 1613 O TRP A 105 -1.731 4.780 9.108 1.00 0.00 O ATOM 1614 CB TRP A 105 -4.592 5.187 7.878 1.00 0.00 C ATOM 1615 CG TRP A 105 -6.012 4.719 7.732 1.00 0.00 C ATOM 1616 CD1 TRP A 105 -6.900 4.443 8.735 1.00 0.00 C ATOM 1617 CD2 TRP A 105 -6.710 4.463 6.509 1.00 0.00 C ATOM 1618 NE1 TRP A 105 -8.106 4.065 8.208 1.00 0.00 N ATOM 1619 CE2 TRP A 105 -8.014 4.062 6.848 1.00 0.00 C ATOM 1620 CE3 TRP A 105 -6.368 4.539 5.159 1.00 0.00 C ATOM 1621 CZ2 TRP A 105 -8.963 3.741 5.890 1.00 0.00 C ATOM 1622 CZ3 TRP A 105 -7.323 4.210 4.218 1.00 0.00 C ATOM 1623 CH2 TRP A 105 -8.601 3.820 4.593 1.00 0.00 C ATOM 0 H TRP A 105 -4.119 3.261 9.561 1.00 0.00 H new ATOM 0 HA TRP A 105 -3.591 3.695 6.694 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -4.469 5.644 8.860 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.397 5.963 7.138 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.682 4.513 9.790 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -8.939 3.825 8.746 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -5.378 4.848 4.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -9.960 3.437 6.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -7.071 4.257 3.169 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -9.323 3.574 3.828 1.00 0.00 H new ATOM 1634 N VAL A 106 -1.445 4.908 6.879 1.00 0.00 N ATOM 1635 CA VAL A 106 -0.092 5.441 6.970 1.00 0.00 C ATOM 1636 C VAL A 106 -0.106 6.958 7.116 1.00 0.00 C ATOM 1637 O VAL A 106 0.985 7.565 7.106 1.00 0.00 O ATOM 1638 CB VAL A 106 0.743 5.064 5.732 1.00 0.00 C ATOM 1639 CG1 VAL A 106 1.044 3.574 5.723 1.00 0.00 C ATOM 1640 CG2 VAL A 106 0.026 5.479 4.458 1.00 0.00 C ATOM 1641 OXT VAL A 106 -1.211 7.529 7.237 1.00 0.00 O ATOM 0 H VAL A 106 -1.785 4.781 5.926 1.00 0.00 H new ATOM 0 HA VAL A 106 0.363 4.998 7.856 1.00 0.00 H new ATOM 0 HB VAL A 106 1.690 5.601 5.779 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.635 3.327 4.841 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.604 3.311 6.620 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.109 3.014 5.702 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.631 5.204 3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.938 4.973 4.402 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.130 6.558 4.463 1.00 0.00 H new