USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 893 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 107 TYR OH : rot 15:sc= -2.79! USER MOD Set 1.2: A 111 CYS SG : rot 84:sc= 0.11 USER MOD Set 2.1: A 60 TYR OH : rot 49:sc= 0.997 USER MOD Set 2.2: A 114 LYS NZ :NH3+ -128:sc= 0.701 (180deg=-0.193) USER MOD Set 3.1: A 44 ASN : amide:sc= -4.16! C(o=-12!,f=-2.5!) USER MOD Set 3.2: A 101 GLN : amide:sc= -7.56! K(o=-12!,f=-2.5) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.456 K(o=-0.46,f=-3.7!) USER MOD Single : A 15 GLN : amide:sc= -6.12! C(o=-6.1!,f=-7.4!) USER MOD Single : A 17 TYR OH : rot -50:sc= 1.28 USER MOD Single : A 20 ASN : amide:sc= -5.64! C(o=-5.6!,f=-19!) USER MOD Single : A 24 LYS NZ :NH3+ -162:sc=-0.00732 (180deg=-0.305) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -42:sc= 0.971 USER MOD Single : A 36 MET CE :methyl -144:sc= -1.35 (180deg=-4.47!) USER MOD Single : A 37 GLN : amide:sc= -0.0321 K(o=-0.032,f=-2.7!) USER MOD Single : A 38 LYS NZ :NH3+ -161:sc= -0.0178 (180deg=-0.437) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.379 USER MOD Single : A 52 SER OG : rot -34:sc= 0.237 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.32 K(o=-0.32,f=-3.3!) USER MOD Single : A 74 ASN : amide:sc= -1.76! C(o=-1.8!,f=-4.4!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.15) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot -159:sc= -0.0738 USER MOD Single : A 103 MET CE :methyl -144:sc= -0.151 (180deg=-1.51) USER MOD Single : A 104 LYS NZ :NH3+ 147:sc= -0.228 (180deg=-0.89) USER MOD Single : A 105 TYR OH : rot 165:sc= -2.56! USER MOD Single : A 109 TYR OH : rot 180:sc= -0.425 USER MOD Single : A 113 LYS NZ :NH3+ -171:sc= -2.01! (180deg=-2.88!) USER MOD Single : A 115 ASN : amide:sc= -0.279 K(o=-0.28,f=-2.8!) USER MOD Single : A 117 SER OG : rot -125:sc= -3.74! USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.255 X(o=-0.26,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 8 111.168 -15.436 14.610 1.00 0.00 N ATOM 79 CA GLU A 8 110.810 -15.692 13.184 1.00 0.00 C ATOM 80 C GLU A 8 111.401 -14.594 12.301 1.00 0.00 C ATOM 81 O GLU A 8 111.901 -14.852 11.228 1.00 0.00 O ATOM 82 CB GLU A 8 109.288 -15.715 13.029 1.00 0.00 C ATOM 83 CG GLU A 8 108.730 -16.972 13.699 1.00 0.00 C ATOM 84 CD GLU A 8 109.128 -18.203 12.883 1.00 0.00 C ATOM 85 OE1 GLU A 8 109.419 -18.042 11.709 1.00 0.00 O ATOM 86 OE2 GLU A 8 109.134 -19.285 13.445 1.00 0.00 O ATOM 0 HA GLU A 8 111.216 -16.657 12.879 1.00 0.00 H new ATOM 0 HB2 GLU A 8 108.852 -14.824 13.481 1.00 0.00 H new ATOM 0 HB3 GLU A 8 109.018 -15.702 11.973 1.00 0.00 H new ATOM 0 HG2 GLU A 8 109.114 -17.056 14.716 1.00 0.00 H new ATOM 0 HG3 GLU A 8 107.644 -16.907 13.773 1.00 0.00 H new ATOM 93 N GLN A 9 111.363 -13.374 12.750 1.00 0.00 N ATOM 94 CA GLN A 9 111.936 -12.264 11.941 1.00 0.00 C ATOM 95 C GLN A 9 113.462 -12.422 11.885 1.00 0.00 C ATOM 96 O GLN A 9 114.098 -12.186 10.872 1.00 0.00 O ATOM 97 CB GLN A 9 111.580 -10.931 12.604 1.00 0.00 C ATOM 98 CG GLN A 9 111.945 -9.775 11.670 1.00 0.00 C ATOM 99 CD GLN A 9 111.491 -8.453 12.293 1.00 0.00 C ATOM 100 OE1 GLN A 9 112.299 -7.686 12.778 1.00 0.00 O ATOM 101 NE2 GLN A 9 110.220 -8.156 12.309 1.00 0.00 N ATOM 0 H GLN A 9 110.959 -13.096 13.644 1.00 0.00 H new ATOM 0 HA GLN A 9 111.531 -12.288 10.929 1.00 0.00 H new ATOM 0 HB2 GLN A 9 110.515 -10.902 12.835 1.00 0.00 H new ATOM 0 HB3 GLN A 9 112.114 -10.830 13.549 1.00 0.00 H new ATOM 0 HG2 GLN A 9 113.021 -9.758 11.499 1.00 0.00 H new ATOM 0 HG3 GLN A 9 111.470 -9.914 10.699 1.00 0.00 H new ATOM 0 HE21 GLN A 9 109.541 -8.799 11.902 1.00 0.00 H new ATOM 0 HE22 GLN A 9 109.906 -7.281 12.728 1.00 0.00 H new ATOM 110 N PHE A 10 114.049 -12.802 12.988 1.00 0.00 N ATOM 111 CA PHE A 10 115.531 -12.961 13.058 1.00 0.00 C ATOM 112 C PHE A 10 116.024 -14.060 12.099 1.00 0.00 C ATOM 113 O PHE A 10 116.940 -13.850 11.328 1.00 0.00 O ATOM 114 CB PHE A 10 115.892 -13.317 14.505 1.00 0.00 C ATOM 115 CG PHE A 10 117.350 -13.700 14.614 1.00 0.00 C ATOM 116 CD1 PHE A 10 118.341 -12.713 14.535 1.00 0.00 C ATOM 117 CD2 PHE A 10 117.710 -15.040 14.812 1.00 0.00 C ATOM 118 CE1 PHE A 10 119.691 -13.066 14.650 1.00 0.00 C ATOM 119 CE2 PHE A 10 119.060 -15.392 14.926 1.00 0.00 C ATOM 120 CZ PHE A 10 120.050 -14.406 14.845 1.00 0.00 C ATOM 0 H PHE A 10 113.557 -13.012 13.856 1.00 0.00 H new ATOM 0 HA PHE A 10 116.015 -12.033 12.755 1.00 0.00 H new ATOM 0 HB2 PHE A 10 115.684 -12.468 15.156 1.00 0.00 H new ATOM 0 HB3 PHE A 10 115.268 -14.142 14.848 1.00 0.00 H new ATOM 0 HD1 PHE A 10 118.064 -11.680 14.385 1.00 0.00 H new ATOM 0 HD2 PHE A 10 116.946 -15.801 14.877 1.00 0.00 H new ATOM 0 HE1 PHE A 10 120.455 -12.305 14.588 1.00 0.00 H new ATOM 0 HE2 PHE A 10 119.338 -16.425 15.077 1.00 0.00 H new ATOM 0 HZ PHE A 10 121.091 -14.678 14.933 1.00 0.00 H new ATOM 130 N LYS A 11 115.443 -15.225 12.126 1.00 0.00 N ATOM 131 CA LYS A 11 115.926 -16.291 11.202 1.00 0.00 C ATOM 132 C LYS A 11 115.756 -15.837 9.752 1.00 0.00 C ATOM 133 O LYS A 11 116.506 -16.229 8.884 1.00 0.00 O ATOM 134 CB LYS A 11 115.170 -17.601 11.440 1.00 0.00 C ATOM 135 CG LYS A 11 113.673 -17.398 11.205 1.00 0.00 C ATOM 136 CD LYS A 11 112.931 -18.730 11.427 1.00 0.00 C ATOM 137 CE LYS A 11 112.726 -19.009 12.935 1.00 0.00 C ATOM 138 NZ LYS A 11 113.166 -20.400 13.237 1.00 0.00 N ATOM 0 H LYS A 11 114.668 -15.485 12.736 1.00 0.00 H new ATOM 0 HA LYS A 11 116.983 -16.469 11.399 1.00 0.00 H new ATOM 0 HB2 LYS A 11 115.549 -18.374 10.772 1.00 0.00 H new ATOM 0 HB3 LYS A 11 115.342 -17.948 12.459 1.00 0.00 H new ATOM 0 HG2 LYS A 11 113.288 -16.638 11.884 1.00 0.00 H new ATOM 0 HG3 LYS A 11 113.499 -17.038 10.191 1.00 0.00 H new ATOM 0 HD2 LYS A 11 111.964 -18.699 10.925 1.00 0.00 H new ATOM 0 HD3 LYS A 11 113.498 -19.545 10.977 1.00 0.00 H new ATOM 0 HE2 LYS A 11 113.297 -18.296 13.530 1.00 0.00 H new ATOM 0 HE3 LYS A 11 111.677 -18.880 13.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 113.031 -20.595 14.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 112.603 -21.072 12.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 114.172 -20.506 12.995 1.00 0.00 H new ATOM 152 N GLN A 12 114.788 -15.012 9.469 1.00 0.00 N ATOM 153 CA GLN A 12 114.622 -14.563 8.060 1.00 0.00 C ATOM 154 C GLN A 12 115.892 -13.844 7.608 1.00 0.00 C ATOM 155 O GLN A 12 116.349 -14.030 6.506 1.00 0.00 O ATOM 156 CB GLN A 12 113.407 -13.643 7.931 1.00 0.00 C ATOM 157 CG GLN A 12 112.135 -14.483 8.071 1.00 0.00 C ATOM 158 CD GLN A 12 110.913 -13.572 8.196 1.00 0.00 C ATOM 159 OE1 GLN A 12 111.044 -12.372 8.340 1.00 0.00 O ATOM 160 NE2 GLN A 12 109.719 -14.098 8.152 1.00 0.00 N ATOM 0 H GLN A 12 114.116 -14.635 10.138 1.00 0.00 H new ATOM 0 HA GLN A 12 114.455 -15.431 7.422 1.00 0.00 H new ATOM 0 HB2 GLN A 12 113.435 -12.870 8.699 1.00 0.00 H new ATOM 0 HB3 GLN A 12 113.419 -13.135 6.967 1.00 0.00 H new ATOM 0 HG2 GLN A 12 112.024 -15.136 7.205 1.00 0.00 H new ATOM 0 HG3 GLN A 12 112.210 -15.126 8.948 1.00 0.00 H new ATOM 0 HE21 GLN A 12 109.609 -15.105 8.031 1.00 0.00 H new ATOM 0 HE22 GLN A 12 108.896 -13.502 8.238 1.00 0.00 H new ATOM 169 N VAL A 13 116.497 -13.046 8.440 1.00 0.00 N ATOM 170 CA VAL A 13 117.748 -12.377 7.984 1.00 0.00 C ATOM 171 C VAL A 13 118.761 -13.471 7.626 1.00 0.00 C ATOM 172 O VAL A 13 119.540 -13.336 6.701 1.00 0.00 O ATOM 173 CB VAL A 13 118.294 -11.430 9.084 1.00 0.00 C ATOM 174 CG1 VAL A 13 119.241 -12.172 10.046 1.00 0.00 C ATOM 175 CG2 VAL A 13 119.052 -10.264 8.433 1.00 0.00 C ATOM 0 H VAL A 13 116.193 -12.831 9.389 1.00 0.00 H new ATOM 0 HA VAL A 13 117.554 -11.759 7.108 1.00 0.00 H new ATOM 0 HB VAL A 13 117.444 -11.056 9.655 1.00 0.00 H new ATOM 0 HG11 VAL A 13 119.605 -11.479 10.804 1.00 0.00 H new ATOM 0 HG12 VAL A 13 118.703 -12.988 10.529 1.00 0.00 H new ATOM 0 HG13 VAL A 13 120.085 -12.575 9.487 1.00 0.00 H new ATOM 0 HG21 VAL A 13 119.434 -9.600 9.209 1.00 0.00 H new ATOM 0 HG22 VAL A 13 119.884 -10.653 7.846 1.00 0.00 H new ATOM 0 HG23 VAL A 13 118.377 -9.709 7.782 1.00 0.00 H new ATOM 185 N ARG A 14 118.743 -14.566 8.339 1.00 0.00 N ATOM 186 CA ARG A 14 119.693 -15.666 8.014 1.00 0.00 C ATOM 187 C ARG A 14 119.462 -16.099 6.565 1.00 0.00 C ATOM 188 O ARG A 14 120.390 -16.436 5.856 1.00 0.00 O ATOM 189 CB ARG A 14 119.463 -16.852 8.956 1.00 0.00 C ATOM 190 CG ARG A 14 120.607 -17.856 8.801 1.00 0.00 C ATOM 191 CD ARG A 14 120.383 -19.042 9.745 1.00 0.00 C ATOM 192 NE ARG A 14 121.657 -19.817 9.876 1.00 0.00 N ATOM 193 CZ ARG A 14 121.807 -20.973 9.279 1.00 0.00 C ATOM 194 NH1 ARG A 14 121.010 -21.321 8.306 1.00 0.00 N ATOM 195 NH2 ARG A 14 122.761 -21.779 9.659 1.00 0.00 N ATOM 0 H ARG A 14 118.117 -14.744 9.125 1.00 0.00 H new ATOM 0 HA ARG A 14 120.718 -15.318 8.139 1.00 0.00 H new ATOM 0 HB2 ARG A 14 119.407 -16.505 9.988 1.00 0.00 H new ATOM 0 HB3 ARG A 14 118.511 -17.331 8.729 1.00 0.00 H new ATOM 0 HG2 ARG A 14 120.661 -18.205 7.770 1.00 0.00 H new ATOM 0 HG3 ARG A 14 121.559 -17.375 9.025 1.00 0.00 H new ATOM 0 HD2 ARG A 14 120.058 -18.687 10.723 1.00 0.00 H new ATOM 0 HD3 ARG A 14 119.591 -19.684 9.359 1.00 0.00 H new ATOM 0 HE ARG A 14 122.419 -19.439 10.438 1.00 0.00 H new ATOM 0 HH11 ARG A 14 120.265 -20.691 8.007 1.00 0.00 H new ATOM 0 HH12 ARG A 14 121.132 -22.223 7.845 1.00 0.00 H new ATOM 0 HH21 ARG A 14 123.386 -21.507 10.418 1.00 0.00 H new ATOM 0 HH22 ARG A 14 122.881 -22.680 9.197 1.00 0.00 H new ATOM 209 N GLN A 15 118.234 -16.099 6.118 1.00 0.00 N ATOM 210 CA GLN A 15 117.959 -16.516 4.718 1.00 0.00 C ATOM 211 C GLN A 15 118.711 -15.592 3.751 1.00 0.00 C ATOM 212 O GLN A 15 119.131 -16.009 2.692 1.00 0.00 O ATOM 213 CB GLN A 15 116.433 -16.502 4.463 1.00 0.00 C ATOM 214 CG GLN A 15 115.943 -15.131 3.944 1.00 0.00 C ATOM 215 CD GLN A 15 115.997 -15.098 2.413 1.00 0.00 C ATOM 216 OE1 GLN A 15 115.712 -16.081 1.758 1.00 0.00 O ATOM 217 NE2 GLN A 15 116.355 -13.996 1.815 1.00 0.00 N ATOM 0 H GLN A 15 117.414 -15.829 6.662 1.00 0.00 H new ATOM 0 HA GLN A 15 118.314 -17.533 4.551 1.00 0.00 H new ATOM 0 HB2 GLN A 15 116.180 -17.275 3.738 1.00 0.00 H new ATOM 0 HB3 GLN A 15 115.909 -16.748 5.387 1.00 0.00 H new ATOM 0 HG2 GLN A 15 114.924 -14.948 4.284 1.00 0.00 H new ATOM 0 HG3 GLN A 15 116.564 -14.335 4.355 1.00 0.00 H new ATOM 0 HE21 GLN A 15 116.594 -13.171 2.366 1.00 0.00 H new ATOM 0 HE22 GLN A 15 116.396 -13.959 0.797 1.00 0.00 H new ATOM 226 N LEU A 16 118.891 -14.340 4.103 1.00 0.00 N ATOM 227 CA LEU A 16 119.623 -13.423 3.180 1.00 0.00 C ATOM 228 C LEU A 16 121.061 -13.922 3.026 1.00 0.00 C ATOM 229 O LEU A 16 121.605 -13.957 1.941 1.00 0.00 O ATOM 230 CB LEU A 16 119.655 -12.006 3.765 1.00 0.00 C ATOM 231 CG LEU A 16 118.258 -11.363 3.736 1.00 0.00 C ATOM 232 CD1 LEU A 16 118.274 -10.096 4.601 1.00 0.00 C ATOM 233 CD2 LEU A 16 117.876 -10.975 2.294 1.00 0.00 C ATOM 0 H LEU A 16 118.568 -13.922 4.975 1.00 0.00 H new ATOM 0 HA LEU A 16 119.118 -13.405 2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 16 120.021 -12.041 4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 16 120.354 -11.391 3.198 1.00 0.00 H new ATOM 0 HG LEU A 16 117.530 -12.078 4.119 1.00 0.00 H new ATOM 0 HD11 LEU A 16 117.287 -9.633 4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 16 118.537 -10.358 5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 16 119.009 -9.395 4.206 1.00 0.00 H new ATOM 0 HD21 LEU A 16 116.885 -10.521 2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 16 118.603 -10.262 1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 16 117.870 -11.867 1.667 1.00 0.00 H new ATOM 245 N TYR A 17 121.678 -14.318 4.105 1.00 0.00 N ATOM 246 CA TYR A 17 123.078 -14.825 4.021 1.00 0.00 C ATOM 247 C TYR A 17 123.100 -16.184 3.310 1.00 0.00 C ATOM 248 O TYR A 17 124.050 -16.524 2.634 1.00 0.00 O ATOM 249 CB TYR A 17 123.662 -14.969 5.434 1.00 0.00 C ATOM 250 CG TYR A 17 124.122 -13.618 5.934 1.00 0.00 C ATOM 251 CD1 TYR A 17 125.371 -13.123 5.541 1.00 0.00 C ATOM 252 CD2 TYR A 17 123.307 -12.865 6.786 1.00 0.00 C ATOM 253 CE1 TYR A 17 125.807 -11.875 5.997 1.00 0.00 C ATOM 254 CE2 TYR A 17 123.743 -11.614 7.244 1.00 0.00 C ATOM 255 CZ TYR A 17 124.993 -11.120 6.850 1.00 0.00 C ATOM 256 OH TYR A 17 125.422 -9.888 7.302 1.00 0.00 O ATOM 0 H TYR A 17 121.274 -14.313 5.042 1.00 0.00 H new ATOM 0 HA TYR A 17 123.681 -14.116 3.453 1.00 0.00 H new ATOM 0 HB2 TYR A 17 122.911 -15.381 6.108 1.00 0.00 H new ATOM 0 HB3 TYR A 17 124.498 -15.668 5.423 1.00 0.00 H new ATOM 0 HD1 TYR A 17 125.999 -13.706 4.884 1.00 0.00 H new ATOM 0 HD2 TYR A 17 122.344 -13.247 7.090 1.00 0.00 H new ATOM 0 HE1 TYR A 17 126.770 -11.494 5.692 1.00 0.00 H new ATOM 0 HE2 TYR A 17 123.115 -11.031 7.901 1.00 0.00 H new ATOM 0 HH TYR A 17 126.330 -9.970 7.663 1.00 0.00 H new ATOM 266 N GLU A 18 122.073 -16.971 3.476 1.00 0.00 N ATOM 267 CA GLU A 18 122.055 -18.316 2.829 1.00 0.00 C ATOM 268 C GLU A 18 121.717 -18.208 1.336 1.00 0.00 C ATOM 269 O GLU A 18 121.580 -19.207 0.658 1.00 0.00 O ATOM 270 CB GLU A 18 121.011 -19.200 3.515 1.00 0.00 C ATOM 271 CG GLU A 18 121.432 -19.463 4.961 1.00 0.00 C ATOM 272 CD GLU A 18 120.387 -20.347 5.645 1.00 0.00 C ATOM 273 OE1 GLU A 18 120.481 -21.555 5.504 1.00 0.00 O ATOM 274 OE2 GLU A 18 119.514 -19.803 6.299 1.00 0.00 O ATOM 0 H GLU A 18 121.247 -16.743 4.030 1.00 0.00 H new ATOM 0 HA GLU A 18 123.048 -18.755 2.931 1.00 0.00 H new ATOM 0 HB2 GLU A 18 120.036 -18.713 3.492 1.00 0.00 H new ATOM 0 HB3 GLU A 18 120.909 -20.143 2.978 1.00 0.00 H new ATOM 0 HG2 GLU A 18 122.407 -19.950 4.984 1.00 0.00 H new ATOM 0 HG3 GLU A 18 121.534 -18.520 5.498 1.00 0.00 H new ATOM 281 N ILE A 19 121.573 -17.021 0.808 1.00 0.00 N ATOM 282 CA ILE A 19 121.236 -16.905 -0.644 1.00 0.00 C ATOM 283 C ILE A 19 122.331 -17.577 -1.485 1.00 0.00 C ATOM 284 O ILE A 19 122.043 -18.293 -2.423 1.00 0.00 O ATOM 285 CB ILE A 19 121.107 -15.426 -1.036 1.00 0.00 C ATOM 286 CG1 ILE A 19 119.847 -14.838 -0.389 1.00 0.00 C ATOM 287 CG2 ILE A 19 120.993 -15.307 -2.560 1.00 0.00 C ATOM 288 CD1 ILE A 19 119.838 -13.314 -0.553 1.00 0.00 C ATOM 0 H ILE A 19 121.672 -16.138 1.309 1.00 0.00 H new ATOM 0 HA ILE A 19 120.285 -17.404 -0.831 1.00 0.00 H new ATOM 0 HB ILE A 19 121.987 -14.882 -0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 19 118.957 -15.267 -0.850 1.00 0.00 H new ATOM 0 HG13 ILE A 19 119.816 -15.099 0.669 1.00 0.00 H new ATOM 0 HG21 ILE A 19 120.901 -14.257 -2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 19 121.884 -15.729 -3.026 1.00 0.00 H new ATOM 0 HG23 ILE A 19 120.113 -15.851 -2.903 1.00 0.00 H new ATOM 0 HD11 ILE A 19 118.940 -12.904 -0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 19 120.720 -12.891 -0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 19 119.848 -13.062 -1.613 1.00 0.00 H new ATOM 300 N ASN A 20 123.582 -17.365 -1.161 1.00 0.00 N ATOM 301 CA ASN A 20 124.670 -18.009 -1.956 1.00 0.00 C ATOM 302 C ASN A 20 126.015 -17.812 -1.251 1.00 0.00 C ATOM 303 O ASN A 20 126.104 -17.161 -0.229 1.00 0.00 O ATOM 304 CB ASN A 20 124.722 -17.393 -3.360 1.00 0.00 C ATOM 305 CG ASN A 20 125.131 -15.917 -3.281 1.00 0.00 C ATOM 306 OD1 ASN A 20 125.705 -15.479 -2.307 1.00 0.00 O ATOM 307 ND2 ASN A 20 124.853 -15.125 -4.281 1.00 0.00 N ATOM 0 H ASN A 20 123.895 -16.779 -0.387 1.00 0.00 H new ATOM 0 HA ASN A 20 124.466 -19.076 -2.042 1.00 0.00 H new ATOM 0 HB2 ASN A 20 125.433 -17.941 -3.979 1.00 0.00 H new ATOM 0 HB3 ASN A 20 123.747 -17.482 -3.839 1.00 0.00 H new ATOM 0 HD21 ASN A 20 125.119 -14.141 -4.241 1.00 0.00 H new ATOM 0 HD22 ASN A 20 124.370 -15.490 -5.102 1.00 0.00 H new ATOM 314 N ASP A 21 127.063 -18.372 -1.792 1.00 0.00 N ATOM 315 CA ASP A 21 128.412 -18.229 -1.164 1.00 0.00 C ATOM 316 C ASP A 21 129.142 -17.032 -1.783 1.00 0.00 C ATOM 317 O ASP A 21 130.341 -16.893 -1.654 1.00 0.00 O ATOM 318 CB ASP A 21 129.222 -19.502 -1.416 1.00 0.00 C ATOM 319 CG ASP A 21 129.426 -19.688 -2.921 1.00 0.00 C ATOM 320 OD1 ASP A 21 128.675 -19.094 -3.677 1.00 0.00 O ATOM 321 OD2 ASP A 21 130.332 -20.416 -3.292 1.00 0.00 O ATOM 0 H ASP A 21 127.044 -18.927 -2.648 1.00 0.00 H new ATOM 0 HA ASP A 21 128.300 -18.070 -0.092 1.00 0.00 H new ATOM 0 HB2 ASP A 21 130.187 -19.437 -0.913 1.00 0.00 H new ATOM 0 HB3 ASP A 21 128.702 -20.365 -0.999 1.00 0.00 H new ATOM 326 N ASP A 22 128.429 -16.173 -2.460 1.00 0.00 N ATOM 327 CA ASP A 22 129.089 -14.992 -3.092 1.00 0.00 C ATOM 328 C ASP A 22 129.779 -14.138 -1.999 1.00 0.00 C ATOM 329 O ASP A 22 129.115 -13.674 -1.094 1.00 0.00 O ATOM 330 CB ASP A 22 128.021 -14.142 -3.788 1.00 0.00 C ATOM 331 CG ASP A 22 128.698 -13.041 -4.605 1.00 0.00 C ATOM 332 OD1 ASP A 22 129.437 -12.266 -4.021 1.00 0.00 O ATOM 333 OD2 ASP A 22 128.465 -12.990 -5.802 1.00 0.00 O ATOM 0 H ASP A 22 127.421 -16.236 -2.603 1.00 0.00 H new ATOM 0 HA ASP A 22 129.832 -15.330 -3.815 1.00 0.00 H new ATOM 0 HB2 ASP A 22 127.409 -14.768 -4.438 1.00 0.00 H new ATOM 0 HB3 ASP A 22 127.352 -13.702 -3.048 1.00 0.00 H new ATOM 338 N PRO A 23 131.089 -13.916 -2.053 1.00 0.00 N ATOM 339 CA PRO A 23 131.755 -13.093 -0.999 1.00 0.00 C ATOM 340 C PRO A 23 131.211 -11.653 -0.940 1.00 0.00 C ATOM 341 O PRO A 23 131.026 -11.097 0.124 1.00 0.00 O ATOM 342 CB PRO A 23 133.241 -13.113 -1.423 1.00 0.00 C ATOM 343 CG PRO A 23 133.375 -13.942 -2.715 1.00 0.00 C ATOM 344 CD PRO A 23 131.982 -14.455 -3.124 1.00 0.00 C ATOM 0 HA PRO A 23 131.582 -13.487 0.002 1.00 0.00 H new ATOM 0 HB2 PRO A 23 133.601 -12.097 -1.587 1.00 0.00 H new ATOM 0 HB3 PRO A 23 133.854 -13.545 -0.632 1.00 0.00 H new ATOM 0 HG2 PRO A 23 133.801 -13.332 -3.512 1.00 0.00 H new ATOM 0 HG3 PRO A 23 134.054 -14.780 -2.557 1.00 0.00 H new ATOM 0 HD2 PRO A 23 131.693 -14.091 -4.110 1.00 0.00 H new ATOM 0 HD3 PRO A 23 131.950 -15.544 -3.164 1.00 0.00 H new ATOM 352 N LYS A 24 130.971 -11.041 -2.071 1.00 0.00 N ATOM 353 CA LYS A 24 130.459 -9.638 -2.059 1.00 0.00 C ATOM 354 C LYS A 24 129.124 -9.569 -1.319 1.00 0.00 C ATOM 355 O LYS A 24 128.916 -8.714 -0.482 1.00 0.00 O ATOM 356 CB LYS A 24 130.269 -9.141 -3.495 1.00 0.00 C ATOM 357 CG LYS A 24 131.632 -8.944 -4.156 1.00 0.00 C ATOM 358 CD LYS A 24 131.438 -8.447 -5.590 1.00 0.00 C ATOM 359 CE LYS A 24 132.803 -8.245 -6.249 1.00 0.00 C ATOM 360 NZ LYS A 24 133.483 -7.076 -5.621 1.00 0.00 N ATOM 0 H LYS A 24 131.106 -11.449 -2.996 1.00 0.00 H new ATOM 0 HA LYS A 24 131.185 -9.006 -1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 24 129.679 -9.860 -4.064 1.00 0.00 H new ATOM 0 HB3 LYS A 24 129.715 -8.202 -3.495 1.00 0.00 H new ATOM 0 HG2 LYS A 24 132.223 -8.226 -3.588 1.00 0.00 H new ATOM 0 HG3 LYS A 24 132.186 -9.883 -4.157 1.00 0.00 H new ATOM 0 HD2 LYS A 24 130.850 -9.167 -6.159 1.00 0.00 H new ATOM 0 HD3 LYS A 24 130.881 -7.510 -5.589 1.00 0.00 H new ATOM 0 HE2 LYS A 24 133.413 -9.141 -6.132 1.00 0.00 H new ATOM 0 HE3 LYS A 24 132.682 -8.079 -7.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 134.248 -6.744 -6.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 132.795 -6.309 -5.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 133.881 -7.358 -4.702 1.00 0.00 H new ATOM 374 N ARG A 25 128.215 -10.459 -1.610 1.00 0.00 N ATOM 375 CA ARG A 25 126.906 -10.422 -0.903 1.00 0.00 C ATOM 376 C ARG A 25 127.143 -10.591 0.597 1.00 0.00 C ATOM 377 O ARG A 25 126.609 -9.858 1.404 1.00 0.00 O ATOM 378 CB ARG A 25 126.008 -11.548 -1.418 1.00 0.00 C ATOM 379 CG ARG A 25 124.664 -11.507 -0.687 1.00 0.00 C ATOM 380 CD ARG A 25 123.722 -12.552 -1.284 1.00 0.00 C ATOM 381 NE ARG A 25 124.322 -13.908 -1.138 1.00 0.00 N ATOM 382 CZ ARG A 25 124.761 -14.313 0.024 1.00 0.00 C ATOM 383 NH1 ARG A 25 123.917 -14.619 0.971 1.00 0.00 N ATOM 384 NH2 ARG A 25 126.045 -14.420 0.236 1.00 0.00 N ATOM 0 H ARG A 25 128.321 -11.203 -2.300 1.00 0.00 H new ATOM 0 HA ARG A 25 126.415 -9.467 -1.089 1.00 0.00 H new ATOM 0 HB2 ARG A 25 125.853 -11.441 -2.492 1.00 0.00 H new ATOM 0 HB3 ARG A 25 126.490 -12.513 -1.260 1.00 0.00 H new ATOM 0 HG2 ARG A 25 124.811 -11.700 0.376 1.00 0.00 H new ATOM 0 HG3 ARG A 25 124.223 -10.514 -0.772 1.00 0.00 H new ATOM 0 HD2 ARG A 25 122.756 -12.515 -0.781 1.00 0.00 H new ATOM 0 HD3 ARG A 25 123.542 -12.335 -2.337 1.00 0.00 H new ATOM 0 HE ARG A 25 124.390 -14.523 -1.949 1.00 0.00 H new ATOM 0 HH11 ARG A 25 122.914 -14.542 0.804 1.00 0.00 H new ATOM 0 HH12 ARG A 25 124.261 -14.935 1.878 1.00 0.00 H new ATOM 0 HH21 ARG A 25 126.705 -14.187 -0.506 1.00 0.00 H new ATOM 0 HH22 ARG A 25 126.387 -14.736 1.143 1.00 0.00 H new ATOM 398 N LYS A 26 127.951 -11.542 0.976 1.00 0.00 N ATOM 399 CA LYS A 26 128.227 -11.739 2.424 1.00 0.00 C ATOM 400 C LYS A 26 128.847 -10.455 2.971 1.00 0.00 C ATOM 401 O LYS A 26 128.422 -9.925 3.979 1.00 0.00 O ATOM 402 CB LYS A 26 129.202 -12.907 2.603 1.00 0.00 C ATOM 403 CG LYS A 26 129.444 -13.157 4.097 1.00 0.00 C ATOM 404 CD LYS A 26 130.422 -14.329 4.288 1.00 0.00 C ATOM 405 CE LYS A 26 129.690 -15.669 4.133 1.00 0.00 C ATOM 406 NZ LYS A 26 130.606 -16.779 4.524 1.00 0.00 N ATOM 0 H LYS A 26 128.430 -12.188 0.348 1.00 0.00 H new ATOM 0 HA LYS A 26 127.306 -11.966 2.960 1.00 0.00 H new ATOM 0 HB2 LYS A 26 128.798 -13.805 2.135 1.00 0.00 H new ATOM 0 HB3 LYS A 26 130.146 -12.685 2.104 1.00 0.00 H new ATOM 0 HG2 LYS A 26 129.847 -12.258 4.563 1.00 0.00 H new ATOM 0 HG3 LYS A 26 128.499 -13.377 4.594 1.00 0.00 H new ATOM 0 HD2 LYS A 26 131.228 -14.261 3.557 1.00 0.00 H new ATOM 0 HD3 LYS A 26 130.881 -14.270 5.275 1.00 0.00 H new ATOM 0 HE2 LYS A 26 128.796 -15.683 4.757 1.00 0.00 H new ATOM 0 HE3 LYS A 26 129.361 -15.800 3.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 130.113 -17.689 4.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 131.446 -16.768 3.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 130.899 -16.655 5.514 1.00 0.00 H new ATOM 420 N GLU A 27 129.842 -9.943 2.302 1.00 0.00 N ATOM 421 CA GLU A 27 130.483 -8.683 2.767 1.00 0.00 C ATOM 422 C GLU A 27 129.466 -7.542 2.730 1.00 0.00 C ATOM 423 O GLU A 27 129.382 -6.752 3.650 1.00 0.00 O ATOM 424 CB GLU A 27 131.665 -8.339 1.857 1.00 0.00 C ATOM 425 CG GLU A 27 132.801 -9.336 2.091 1.00 0.00 C ATOM 426 CD GLU A 27 133.941 -9.050 1.110 1.00 0.00 C ATOM 427 OE1 GLU A 27 133.734 -8.255 0.208 1.00 0.00 O ATOM 428 OE2 GLU A 27 134.999 -9.635 1.275 1.00 0.00 O ATOM 0 H GLU A 27 130.239 -10.344 1.452 1.00 0.00 H new ATOM 0 HA GLU A 27 130.838 -8.819 3.788 1.00 0.00 H new ATOM 0 HB2 GLU A 27 131.353 -8.367 0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 27 132.010 -7.325 2.060 1.00 0.00 H new ATOM 0 HG2 GLU A 27 133.162 -9.259 3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 27 132.438 -10.355 1.957 1.00 0.00 H new ATOM 435 N PHE A 28 128.689 -7.438 1.682 1.00 0.00 N ATOM 436 CA PHE A 28 127.696 -6.334 1.626 1.00 0.00 C ATOM 437 C PHE A 28 126.728 -6.454 2.807 1.00 0.00 C ATOM 438 O PHE A 28 126.495 -5.501 3.524 1.00 0.00 O ATOM 439 CB PHE A 28 126.908 -6.411 0.314 1.00 0.00 C ATOM 440 CG PHE A 28 125.760 -5.431 0.374 1.00 0.00 C ATOM 441 CD1 PHE A 28 124.551 -5.826 0.953 1.00 0.00 C ATOM 442 CD2 PHE A 28 125.911 -4.129 -0.114 1.00 0.00 C ATOM 443 CE1 PHE A 28 123.489 -4.926 1.041 1.00 0.00 C ATOM 444 CE2 PHE A 28 124.847 -3.223 -0.021 1.00 0.00 C ATOM 445 CZ PHE A 28 123.636 -3.624 0.557 1.00 0.00 C ATOM 0 H PHE A 28 128.701 -8.062 0.875 1.00 0.00 H new ATOM 0 HA PHE A 28 128.219 -5.379 1.678 1.00 0.00 H new ATOM 0 HB2 PHE A 28 127.558 -6.179 -0.530 1.00 0.00 H new ATOM 0 HB3 PHE A 28 126.532 -7.422 0.159 1.00 0.00 H new ATOM 0 HD1 PHE A 28 124.439 -6.831 1.333 1.00 0.00 H new ATOM 0 HD2 PHE A 28 126.845 -3.823 -0.561 1.00 0.00 H new ATOM 0 HE1 PHE A 28 122.554 -5.236 1.483 1.00 0.00 H new ATOM 0 HE2 PHE A 28 124.960 -2.216 -0.395 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.815 -2.926 0.629 1.00 0.00 H new ATOM 455 N LEU A 29 126.157 -7.609 3.016 1.00 0.00 N ATOM 456 CA LEU A 29 125.208 -7.751 4.151 1.00 0.00 C ATOM 457 C LEU A 29 125.951 -7.447 5.451 1.00 0.00 C ATOM 458 O LEU A 29 125.471 -6.721 6.297 1.00 0.00 O ATOM 459 CB LEU A 29 124.638 -9.179 4.191 1.00 0.00 C ATOM 460 CG LEU A 29 123.771 -9.446 2.944 1.00 0.00 C ATOM 461 CD1 LEU A 29 123.623 -10.961 2.737 1.00 0.00 C ATOM 462 CD2 LEU A 29 122.364 -8.820 3.106 1.00 0.00 C ATOM 0 H LEU A 29 126.305 -8.449 2.457 1.00 0.00 H new ATOM 0 HA LEU A 29 124.379 -7.054 4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 29 125.453 -9.902 4.237 1.00 0.00 H new ATOM 0 HB3 LEU A 29 124.041 -9.314 5.093 1.00 0.00 H new ATOM 0 HG LEU A 29 124.261 -8.993 2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 29 123.010 -11.150 1.856 1.00 0.00 H new ATOM 0 HD12 LEU A 29 124.608 -11.407 2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 29 123.146 -11.403 3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 29 121.771 -9.022 2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 29 121.870 -9.254 3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 29 122.459 -7.743 3.243 1.00 0.00 H new ATOM 474 N ASP A 30 127.129 -7.980 5.610 1.00 0.00 N ATOM 475 CA ASP A 30 127.900 -7.707 6.851 1.00 0.00 C ATOM 476 C ASP A 30 128.147 -6.203 6.968 1.00 0.00 C ATOM 477 O ASP A 30 128.077 -5.634 8.038 1.00 0.00 O ATOM 478 CB ASP A 30 129.244 -8.440 6.796 1.00 0.00 C ATOM 479 CG ASP A 30 129.016 -9.948 6.922 1.00 0.00 C ATOM 480 OD1 ASP A 30 128.039 -10.330 7.544 1.00 0.00 O ATOM 481 OD2 ASP A 30 129.827 -10.694 6.400 1.00 0.00 O ATOM 0 H ASP A 30 127.590 -8.591 4.936 1.00 0.00 H new ATOM 0 HA ASP A 30 127.334 -8.057 7.715 1.00 0.00 H new ATOM 0 HB2 ASP A 30 129.753 -8.217 5.858 1.00 0.00 H new ATOM 0 HB3 ASP A 30 129.892 -8.092 7.601 1.00 0.00 H new ATOM 486 N ASP A 31 128.444 -5.554 5.875 1.00 0.00 N ATOM 487 CA ASP A 31 128.703 -4.087 5.926 1.00 0.00 C ATOM 488 C ASP A 31 127.399 -3.319 6.184 1.00 0.00 C ATOM 489 O ASP A 31 127.312 -2.529 7.104 1.00 0.00 O ATOM 490 CB ASP A 31 129.308 -3.634 4.594 1.00 0.00 C ATOM 491 CG ASP A 31 129.773 -2.181 4.711 1.00 0.00 C ATOM 492 OD1 ASP A 31 129.418 -1.544 5.688 1.00 0.00 O ATOM 493 OD2 ASP A 31 130.473 -1.731 3.820 1.00 0.00 O ATOM 0 H ASP A 31 128.518 -5.976 4.949 1.00 0.00 H new ATOM 0 HA ASP A 31 129.398 -3.879 6.740 1.00 0.00 H new ATOM 0 HB2 ASP A 31 130.148 -4.275 4.328 1.00 0.00 H new ATOM 0 HB3 ASP A 31 128.570 -3.728 3.797 1.00 0.00 H new ATOM 498 N LEU A 32 126.391 -3.530 5.378 1.00 0.00 N ATOM 499 CA LEU A 32 125.106 -2.792 5.583 1.00 0.00 C ATOM 500 C LEU A 32 124.516 -3.094 6.963 1.00 0.00 C ATOM 501 O LEU A 32 124.177 -2.194 7.701 1.00 0.00 O ATOM 502 CB LEU A 32 124.109 -3.182 4.473 1.00 0.00 C ATOM 503 CG LEU A 32 122.671 -2.744 4.821 1.00 0.00 C ATOM 504 CD1 LEU A 32 122.605 -1.241 5.106 1.00 0.00 C ATOM 505 CD2 LEU A 32 121.767 -3.053 3.634 1.00 0.00 C ATOM 0 H LEU A 32 126.400 -4.178 4.590 1.00 0.00 H new ATOM 0 HA LEU A 32 125.302 -1.721 5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 32 124.412 -2.722 3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 32 124.135 -4.261 4.323 1.00 0.00 H new ATOM 0 HG LEU A 32 122.349 -3.283 5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 32 121.580 -0.961 5.348 1.00 0.00 H new ATOM 0 HD12 LEU A 32 123.255 -1.001 5.948 1.00 0.00 H new ATOM 0 HD13 LEU A 32 122.933 -0.689 4.225 1.00 0.00 H new ATOM 0 HD21 LEU A 32 120.746 -2.749 3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 32 122.118 -2.508 2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 32 121.789 -4.123 3.429 1.00 0.00 H new ATOM 517 N PHE A 33 124.373 -4.334 7.332 1.00 0.00 N ATOM 518 CA PHE A 33 123.772 -4.603 8.668 1.00 0.00 C ATOM 519 C PHE A 33 124.623 -3.953 9.756 1.00 0.00 C ATOM 520 O PHE A 33 124.098 -3.406 10.697 1.00 0.00 O ATOM 521 CB PHE A 33 123.684 -6.118 8.934 1.00 0.00 C ATOM 522 CG PHE A 33 122.478 -6.706 8.225 1.00 0.00 C ATOM 523 CD1 PHE A 33 121.182 -6.287 8.570 1.00 0.00 C ATOM 524 CD2 PHE A 33 122.655 -7.667 7.222 1.00 0.00 C ATOM 525 CE1 PHE A 33 120.075 -6.829 7.909 1.00 0.00 C ATOM 526 CE2 PHE A 33 121.545 -8.205 6.563 1.00 0.00 C ATOM 527 CZ PHE A 33 120.257 -7.786 6.904 1.00 0.00 C ATOM 0 H PHE A 33 124.637 -5.154 6.785 1.00 0.00 H new ATOM 0 HA PHE A 33 122.766 -4.183 8.681 1.00 0.00 H new ATOM 0 HB2 PHE A 33 124.594 -6.609 8.588 1.00 0.00 H new ATOM 0 HB3 PHE A 33 123.611 -6.303 10.006 1.00 0.00 H new ATOM 0 HD1 PHE A 33 121.041 -5.548 9.344 1.00 0.00 H new ATOM 0 HD2 PHE A 33 123.650 -7.993 6.957 1.00 0.00 H new ATOM 0 HE1 PHE A 33 119.078 -6.509 8.174 1.00 0.00 H new ATOM 0 HE2 PHE A 33 121.684 -8.946 5.789 1.00 0.00 H new ATOM 0 HZ PHE A 33 119.401 -8.201 6.392 1.00 0.00 H new ATOM 537 N SER A 34 125.920 -4.004 9.641 1.00 0.00 N ATOM 538 CA SER A 34 126.777 -3.396 10.701 1.00 0.00 C ATOM 539 C SER A 34 126.492 -1.897 10.840 1.00 0.00 C ATOM 540 O SER A 34 126.395 -1.382 11.933 1.00 0.00 O ATOM 541 CB SER A 34 128.250 -3.607 10.347 1.00 0.00 C ATOM 542 OG SER A 34 128.579 -2.825 9.207 1.00 0.00 O ATOM 0 H SER A 34 126.423 -4.436 8.866 1.00 0.00 H new ATOM 0 HA SER A 34 126.551 -3.880 11.651 1.00 0.00 H new ATOM 0 HB2 SER A 34 128.882 -3.325 11.189 1.00 0.00 H new ATOM 0 HB3 SER A 34 128.439 -4.661 10.145 1.00 0.00 H new ATOM 0 HG SER A 34 127.851 -2.877 8.553 1.00 0.00 H new ATOM 548 N PHE A 35 126.361 -1.185 9.758 1.00 0.00 N ATOM 549 CA PHE A 35 126.087 0.273 9.883 1.00 0.00 C ATOM 550 C PHE A 35 124.780 0.492 10.651 1.00 0.00 C ATOM 551 O PHE A 35 124.752 1.132 11.682 1.00 0.00 O ATOM 552 CB PHE A 35 125.961 0.890 8.490 1.00 0.00 C ATOM 553 CG PHE A 35 125.693 2.364 8.632 1.00 0.00 C ATOM 554 CD1 PHE A 35 124.394 2.814 8.884 1.00 0.00 C ATOM 555 CD2 PHE A 35 126.747 3.279 8.532 1.00 0.00 C ATOM 556 CE1 PHE A 35 124.145 4.182 9.032 1.00 0.00 C ATOM 557 CE2 PHE A 35 126.499 4.648 8.682 1.00 0.00 C ATOM 558 CZ PHE A 35 125.197 5.100 8.931 1.00 0.00 C ATOM 0 H PHE A 35 126.430 -1.542 8.805 1.00 0.00 H new ATOM 0 HA PHE A 35 126.908 0.746 10.422 1.00 0.00 H new ATOM 0 HB2 PHE A 35 126.876 0.726 7.921 1.00 0.00 H new ATOM 0 HB3 PHE A 35 125.152 0.411 7.937 1.00 0.00 H new ATOM 0 HD1 PHE A 35 123.583 2.105 8.964 1.00 0.00 H new ATOM 0 HD2 PHE A 35 127.750 2.929 8.339 1.00 0.00 H new ATOM 0 HE1 PHE A 35 123.141 4.530 9.224 1.00 0.00 H new ATOM 0 HE2 PHE A 35 127.311 5.356 8.606 1.00 0.00 H new ATOM 0 HZ PHE A 35 125.005 6.157 9.045 1.00 0.00 H new ATOM 568 N MET A 36 123.698 -0.038 10.152 1.00 0.00 N ATOM 569 CA MET A 36 122.387 0.134 10.850 1.00 0.00 C ATOM 570 C MET A 36 122.322 -0.754 12.105 1.00 0.00 C ATOM 571 O MET A 36 121.434 -0.615 12.921 1.00 0.00 O ATOM 572 CB MET A 36 121.228 -0.181 9.885 1.00 0.00 C ATOM 573 CG MET A 36 121.666 -1.233 8.868 1.00 0.00 C ATOM 574 SD MET A 36 120.236 -1.793 7.907 1.00 0.00 S ATOM 575 CE MET A 36 119.380 -2.694 9.222 1.00 0.00 C ATOM 0 H MET A 36 123.662 -0.583 9.291 1.00 0.00 H new ATOM 0 HA MET A 36 122.292 1.171 11.171 1.00 0.00 H new ATOM 0 HB2 MET A 36 120.365 -0.542 10.445 1.00 0.00 H new ATOM 0 HB3 MET A 36 120.916 0.727 9.370 1.00 0.00 H new ATOM 0 HG2 MET A 36 122.422 -0.816 8.203 1.00 0.00 H new ATOM 0 HG3 MET A 36 122.125 -2.079 9.381 1.00 0.00 H new ATOM 0 HE1 MET A 36 118.900 -3.579 8.804 1.00 0.00 H new ATOM 0 HE2 MET A 36 120.099 -2.997 9.983 1.00 0.00 H new ATOM 0 HE3 MET A 36 118.625 -2.050 9.672 1.00 0.00 H new ATOM 585 N GLN A 37 123.246 -1.665 12.270 1.00 0.00 N ATOM 586 CA GLN A 37 123.212 -2.551 13.480 1.00 0.00 C ATOM 587 C GLN A 37 123.119 -1.684 14.736 1.00 0.00 C ATOM 588 O GLN A 37 122.903 -2.177 15.824 1.00 0.00 O ATOM 589 CB GLN A 37 124.482 -3.421 13.551 1.00 0.00 C ATOM 590 CG GLN A 37 124.530 -4.180 14.880 1.00 0.00 C ATOM 591 CD GLN A 37 125.594 -5.276 14.804 1.00 0.00 C ATOM 592 OE1 GLN A 37 126.070 -5.603 13.735 1.00 0.00 O ATOM 593 NE2 GLN A 37 125.989 -5.860 15.901 1.00 0.00 N ATOM 0 H GLN A 37 124.019 -1.836 11.626 1.00 0.00 H new ATOM 0 HA GLN A 37 122.344 -3.206 13.413 1.00 0.00 H new ATOM 0 HB2 GLN A 37 124.495 -4.127 12.720 1.00 0.00 H new ATOM 0 HB3 GLN A 37 125.368 -2.793 13.450 1.00 0.00 H new ATOM 0 HG2 GLN A 37 124.758 -3.493 15.695 1.00 0.00 H new ATOM 0 HG3 GLN A 37 123.556 -4.619 15.096 1.00 0.00 H new ATOM 0 HE21 GLN A 37 125.589 -5.585 16.798 1.00 0.00 H new ATOM 0 HE22 GLN A 37 126.698 -6.592 15.862 1.00 0.00 H new ATOM 602 N LYS A 38 123.278 -0.394 14.597 1.00 0.00 N ATOM 603 CA LYS A 38 123.202 0.499 15.789 1.00 0.00 C ATOM 604 C LYS A 38 121.974 0.115 16.625 1.00 0.00 C ATOM 605 O LYS A 38 122.046 0.010 17.834 1.00 0.00 O ATOM 606 CB LYS A 38 123.084 1.952 15.321 1.00 0.00 C ATOM 607 CG LYS A 38 123.082 2.885 16.534 1.00 0.00 C ATOM 608 CD LYS A 38 122.965 4.337 16.065 1.00 0.00 C ATOM 609 CE LYS A 38 123.003 5.269 17.278 1.00 0.00 C ATOM 610 NZ LYS A 38 121.803 5.027 18.128 1.00 0.00 N ATOM 0 H LYS A 38 123.457 0.079 13.711 1.00 0.00 H new ATOM 0 HA LYS A 38 124.100 0.390 16.397 1.00 0.00 H new ATOM 0 HB2 LYS A 38 123.915 2.200 14.660 1.00 0.00 H new ATOM 0 HB3 LYS A 38 122.168 2.086 14.745 1.00 0.00 H new ATOM 0 HG2 LYS A 38 122.251 2.638 17.194 1.00 0.00 H new ATOM 0 HG3 LYS A 38 123.998 2.751 17.110 1.00 0.00 H new ATOM 0 HD2 LYS A 38 123.781 4.577 15.383 1.00 0.00 H new ATOM 0 HD3 LYS A 38 122.036 4.478 15.513 1.00 0.00 H new ATOM 0 HE2 LYS A 38 123.911 5.096 17.855 1.00 0.00 H new ATOM 0 HE3 LYS A 38 123.027 6.308 16.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 121.650 5.844 18.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 120.969 4.895 17.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 121.951 4.173 18.703 1.00 0.00 H new ATOM 624 N ARG A 39 120.862 -0.139 15.992 1.00 0.00 N ATOM 625 CA ARG A 39 119.658 -0.565 16.759 1.00 0.00 C ATOM 626 C ARG A 39 119.933 -1.964 17.321 1.00 0.00 C ATOM 627 O ARG A 39 119.504 -2.312 18.404 1.00 0.00 O ATOM 628 CB ARG A 39 118.439 -0.605 15.830 1.00 0.00 C ATOM 629 CG ARG A 39 118.859 -1.136 14.452 1.00 0.00 C ATOM 630 CD ARG A 39 117.634 -1.655 13.698 1.00 0.00 C ATOM 631 NE ARG A 39 116.481 -0.741 13.922 1.00 0.00 N ATOM 632 CZ ARG A 39 115.265 -1.159 13.699 1.00 0.00 C ATOM 633 NH1 ARG A 39 114.993 -1.825 12.611 1.00 0.00 N ATOM 634 NH2 ARG A 39 114.319 -0.909 14.565 1.00 0.00 N ATOM 0 H ARG A 39 120.735 -0.071 14.982 1.00 0.00 H new ATOM 0 HA ARG A 39 119.451 0.136 17.568 1.00 0.00 H new ATOM 0 HB2 ARG A 39 117.665 -1.243 16.256 1.00 0.00 H new ATOM 0 HB3 ARG A 39 118.011 0.393 15.732 1.00 0.00 H new ATOM 0 HG2 ARG A 39 119.341 -0.344 13.879 1.00 0.00 H new ATOM 0 HG3 ARG A 39 119.591 -1.935 14.568 1.00 0.00 H new ATOM 0 HD2 ARG A 39 117.854 -1.724 12.633 1.00 0.00 H new ATOM 0 HD3 ARG A 39 117.385 -2.660 14.038 1.00 0.00 H new ATOM 0 HE ARG A 39 116.641 0.212 14.250 1.00 0.00 H new ATOM 0 HH11 ARG A 39 115.731 -2.019 11.934 1.00 0.00 H new ATOM 0 HH12 ARG A 39 114.042 -2.152 12.437 1.00 0.00 H new ATOM 0 HH21 ARG A 39 114.531 -0.387 15.415 1.00 0.00 H new ATOM 0 HH22 ARG A 39 113.369 -1.236 14.391 1.00 0.00 H new ATOM 648 N GLY A 40 120.666 -2.760 16.581 1.00 0.00 N ATOM 649 CA GLY A 40 121.013 -4.145 17.034 1.00 0.00 C ATOM 650 C GLY A 40 120.167 -5.173 16.279 1.00 0.00 C ATOM 651 O GLY A 40 120.460 -6.353 16.291 1.00 0.00 O ATOM 0 H GLY A 40 121.044 -2.505 15.669 1.00 0.00 H new ATOM 0 HA2 GLY A 40 122.072 -4.337 16.862 1.00 0.00 H new ATOM 0 HA3 GLY A 40 120.842 -4.239 18.106 1.00 0.00 H new ATOM 655 N THR A 41 119.125 -4.736 15.614 1.00 0.00 N ATOM 656 CA THR A 41 118.248 -5.678 14.843 1.00 0.00 C ATOM 657 C THR A 41 118.380 -5.387 13.338 1.00 0.00 C ATOM 658 O THR A 41 118.757 -4.298 12.957 1.00 0.00 O ATOM 659 CB THR A 41 116.788 -5.467 15.297 1.00 0.00 C ATOM 660 OG1 THR A 41 116.627 -4.123 15.728 1.00 0.00 O ATOM 661 CG2 THR A 41 116.460 -6.410 16.461 1.00 0.00 C ATOM 0 H THR A 41 118.840 -3.757 15.571 1.00 0.00 H new ATOM 0 HA THR A 41 118.546 -6.710 15.027 1.00 0.00 H new ATOM 0 HB THR A 41 116.117 -5.678 14.464 1.00 0.00 H new ATOM 0 HG1 THR A 41 115.701 -3.981 16.016 1.00 0.00 H new ATOM 0 HG21 THR A 41 115.428 -6.255 16.775 1.00 0.00 H new ATOM 0 HG22 THR A 41 116.590 -7.443 16.140 1.00 0.00 H new ATOM 0 HG23 THR A 41 117.129 -6.203 17.296 1.00 0.00 H new ATOM 669 N PRO A 42 118.060 -6.345 12.484 1.00 0.00 N ATOM 670 CA PRO A 42 118.141 -6.118 11.011 1.00 0.00 C ATOM 671 C PRO A 42 117.337 -4.876 10.577 1.00 0.00 C ATOM 672 O PRO A 42 117.159 -3.942 11.331 1.00 0.00 O ATOM 673 CB PRO A 42 117.537 -7.422 10.433 1.00 0.00 C ATOM 674 CG PRO A 42 117.130 -8.341 11.603 1.00 0.00 C ATOM 675 CD PRO A 42 117.619 -7.706 12.915 1.00 0.00 C ATOM 0 HA PRO A 42 119.155 -5.920 10.662 1.00 0.00 H new ATOM 0 HB2 PRO A 42 116.670 -7.194 9.813 1.00 0.00 H new ATOM 0 HB3 PRO A 42 118.263 -7.924 9.794 1.00 0.00 H new ATOM 0 HG2 PRO A 42 116.048 -8.470 11.625 1.00 0.00 H new ATOM 0 HG3 PRO A 42 117.566 -9.332 11.476 1.00 0.00 H new ATOM 0 HD2 PRO A 42 116.825 -7.656 13.660 1.00 0.00 H new ATOM 0 HD3 PRO A 42 118.437 -8.274 13.358 1.00 0.00 H new ATOM 683 N ILE A 43 116.848 -4.860 9.370 1.00 0.00 N ATOM 684 CA ILE A 43 116.063 -3.683 8.907 1.00 0.00 C ATOM 685 C ILE A 43 114.758 -3.603 9.712 1.00 0.00 C ATOM 686 O ILE A 43 114.704 -4.014 10.855 1.00 0.00 O ATOM 687 CB ILE A 43 115.801 -3.822 7.388 1.00 0.00 C ATOM 688 CG1 ILE A 43 115.584 -2.422 6.758 1.00 0.00 C ATOM 689 CG2 ILE A 43 114.574 -4.728 7.114 1.00 0.00 C ATOM 690 CD1 ILE A 43 116.930 -1.787 6.386 1.00 0.00 C ATOM 0 H ILE A 43 116.957 -5.608 8.686 1.00 0.00 H new ATOM 0 HA ILE A 43 116.613 -2.756 9.070 1.00 0.00 H new ATOM 0 HB ILE A 43 116.674 -4.289 6.932 1.00 0.00 H new ATOM 0 HG12 ILE A 43 114.958 -2.509 5.870 1.00 0.00 H new ATOM 0 HG13 ILE A 43 115.053 -1.779 7.460 1.00 0.00 H new ATOM 0 HG21 ILE A 43 114.413 -4.808 6.039 1.00 0.00 H new ATOM 0 HG22 ILE A 43 114.754 -5.720 7.529 1.00 0.00 H new ATOM 0 HG23 ILE A 43 113.690 -4.295 7.582 1.00 0.00 H new ATOM 0 HD11 ILE A 43 116.759 -0.805 5.945 1.00 0.00 H new ATOM 0 HD12 ILE A 43 117.542 -1.681 7.282 1.00 0.00 H new ATOM 0 HD13 ILE A 43 117.446 -2.423 5.667 1.00 0.00 H new ATOM 702 N ASN A 44 113.712 -3.075 9.143 1.00 0.00 N ATOM 703 CA ASN A 44 112.431 -2.972 9.898 1.00 0.00 C ATOM 704 C ASN A 44 111.709 -4.320 9.847 1.00 0.00 C ATOM 705 O ASN A 44 111.331 -4.871 10.863 1.00 0.00 O ATOM 706 CB ASN A 44 111.560 -1.898 9.243 1.00 0.00 C ATOM 707 CG ASN A 44 110.401 -1.525 10.167 1.00 0.00 C ATOM 708 OD1 ASN A 44 110.294 -2.031 11.266 1.00 0.00 O ATOM 709 ND2 ASN A 44 109.522 -0.649 9.761 1.00 0.00 N ATOM 0 H ASN A 44 113.687 -2.711 8.191 1.00 0.00 H new ATOM 0 HA ASN A 44 112.626 -2.706 10.937 1.00 0.00 H new ATOM 0 HB2 ASN A 44 112.161 -1.015 9.026 1.00 0.00 H new ATOM 0 HB3 ASN A 44 111.174 -2.263 8.291 1.00 0.00 H new ATOM 0 HD21 ASN A 44 108.744 -0.389 10.367 1.00 0.00 H new ATOM 0 HD22 ASN A 44 109.613 -0.225 8.838 1.00 0.00 H new ATOM 716 N ARG A 45 111.529 -4.865 8.675 1.00 0.00 N ATOM 717 CA ARG A 45 110.846 -6.188 8.553 1.00 0.00 C ATOM 718 C ARG A 45 111.347 -6.910 7.300 1.00 0.00 C ATOM 719 O ARG A 45 111.885 -6.305 6.394 1.00 0.00 O ATOM 720 CB ARG A 45 109.328 -6.000 8.460 1.00 0.00 C ATOM 721 CG ARG A 45 108.777 -5.538 9.813 1.00 0.00 C ATOM 722 CD ARG A 45 107.247 -5.517 9.762 1.00 0.00 C ATOM 723 NE ARG A 45 106.802 -4.479 8.787 1.00 0.00 N ATOM 724 CZ ARG A 45 105.529 -4.231 8.618 1.00 0.00 C ATOM 725 NH1 ARG A 45 104.647 -4.745 9.429 1.00 0.00 N ATOM 726 NH2 ARG A 45 105.142 -3.465 7.635 1.00 0.00 N ATOM 0 H ARG A 45 111.826 -4.450 7.792 1.00 0.00 H new ATOM 0 HA ARG A 45 111.074 -6.783 9.437 1.00 0.00 H new ATOM 0 HB2 ARG A 45 109.090 -5.266 7.690 1.00 0.00 H new ATOM 0 HB3 ARG A 45 108.854 -6.936 8.165 1.00 0.00 H new ATOM 0 HG2 ARG A 45 109.116 -6.208 10.603 1.00 0.00 H new ATOM 0 HG3 ARG A 45 109.157 -4.545 10.052 1.00 0.00 H new ATOM 0 HD2 ARG A 45 106.868 -6.496 9.468 1.00 0.00 H new ATOM 0 HD3 ARG A 45 106.841 -5.302 10.751 1.00 0.00 H new ATOM 0 HE ARG A 45 107.495 -3.959 8.249 1.00 0.00 H new ATOM 0 HH11 ARG A 45 104.949 -5.343 10.198 1.00 0.00 H new ATOM 0 HH12 ARG A 45 103.655 -4.549 9.294 1.00 0.00 H new ATOM 0 HH21 ARG A 45 105.832 -3.061 7.001 1.00 0.00 H new ATOM 0 HH22 ARG A 45 104.150 -3.270 7.501 1.00 0.00 H new ATOM 740 N LEU A 46 111.167 -8.204 7.251 1.00 0.00 N ATOM 741 CA LEU A 46 111.619 -9.008 6.072 1.00 0.00 C ATOM 742 C LEU A 46 110.417 -9.794 5.525 1.00 0.00 C ATOM 743 O LEU A 46 110.225 -10.941 5.878 1.00 0.00 O ATOM 744 CB LEU A 46 112.695 -10.005 6.522 1.00 0.00 C ATOM 745 CG LEU A 46 113.894 -9.255 7.127 1.00 0.00 C ATOM 746 CD1 LEU A 46 114.717 -10.216 7.989 1.00 0.00 C ATOM 747 CD2 LEU A 46 114.788 -8.694 6.014 1.00 0.00 C ATOM 0 H LEU A 46 110.719 -8.748 7.989 1.00 0.00 H new ATOM 0 HA LEU A 46 112.024 -8.348 5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 46 112.279 -10.693 7.257 1.00 0.00 H new ATOM 0 HB3 LEU A 46 113.023 -10.605 5.673 1.00 0.00 H new ATOM 0 HG LEU A 46 113.520 -8.433 7.737 1.00 0.00 H new ATOM 0 HD11 LEU A 46 115.566 -9.684 8.417 1.00 0.00 H new ATOM 0 HD12 LEU A 46 114.093 -10.610 8.792 1.00 0.00 H new ATOM 0 HD13 LEU A 46 115.078 -11.039 7.373 1.00 0.00 H new ATOM 0 HD21 LEU A 46 115.632 -8.166 6.457 1.00 0.00 H new ATOM 0 HD22 LEU A 46 115.156 -9.513 5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 46 114.212 -8.004 5.397 1.00 0.00 H new ATOM 759 N PRO A 47 109.598 -9.199 4.684 1.00 0.00 N ATOM 760 CA PRO A 47 108.415 -9.922 4.146 1.00 0.00 C ATOM 761 C PRO A 47 108.829 -11.133 3.301 1.00 0.00 C ATOM 762 O PRO A 47 109.899 -11.160 2.725 1.00 0.00 O ATOM 763 CB PRO A 47 107.695 -8.837 3.313 1.00 0.00 C ATOM 764 CG PRO A 47 108.492 -7.519 3.431 1.00 0.00 C ATOM 765 CD PRO A 47 109.792 -7.799 4.208 1.00 0.00 C ATOM 0 HA PRO A 47 107.777 -10.346 4.921 1.00 0.00 H new ATOM 0 HB2 PRO A 47 107.625 -9.145 2.270 1.00 0.00 H new ATOM 0 HB3 PRO A 47 106.676 -8.697 3.673 1.00 0.00 H new ATOM 0 HG2 PRO A 47 108.721 -7.125 2.441 1.00 0.00 H new ATOM 0 HG3 PRO A 47 107.899 -6.763 3.946 1.00 0.00 H new ATOM 0 HD2 PRO A 47 110.672 -7.707 3.571 1.00 0.00 H new ATOM 0 HD3 PRO A 47 109.925 -7.105 5.038 1.00 0.00 H new ATOM 773 N ILE A 48 107.988 -12.135 3.232 1.00 0.00 N ATOM 774 CA ILE A 48 108.322 -13.354 2.441 1.00 0.00 C ATOM 775 C ILE A 48 107.450 -13.383 1.191 1.00 0.00 C ATOM 776 O ILE A 48 106.244 -13.238 1.251 1.00 0.00 O ATOM 777 CB ILE A 48 108.021 -14.604 3.270 1.00 0.00 C ATOM 778 CG1 ILE A 48 108.751 -14.540 4.622 1.00 0.00 C ATOM 779 CG2 ILE A 48 108.480 -15.843 2.499 1.00 0.00 C ATOM 780 CD1 ILE A 48 110.245 -14.262 4.419 1.00 0.00 C ATOM 0 H ILE A 48 107.079 -12.159 3.694 1.00 0.00 H new ATOM 0 HA ILE A 48 109.378 -13.334 2.172 1.00 0.00 H new ATOM 0 HB ILE A 48 106.948 -14.658 3.454 1.00 0.00 H new ATOM 0 HG12 ILE A 48 108.312 -13.758 5.241 1.00 0.00 H new ATOM 0 HG13 ILE A 48 108.620 -15.481 5.156 1.00 0.00 H new ATOM 0 HG21 ILE A 48 108.267 -16.736 3.086 1.00 0.00 H new ATOM 0 HG22 ILE A 48 107.948 -15.898 1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 48 109.552 -15.779 2.312 1.00 0.00 H new ATOM 0 HD11 ILE A 48 110.742 -14.221 5.388 1.00 0.00 H new ATOM 0 HD12 ILE A 48 110.685 -15.058 3.819 1.00 0.00 H new ATOM 0 HD13 ILE A 48 110.371 -13.309 3.906 1.00 0.00 H new ATOM 841 N SER A 52 109.750 -17.339 -2.114 1.00 0.00 N ATOM 842 CA SER A 52 111.045 -16.599 -2.139 1.00 0.00 C ATOM 843 C SER A 52 111.010 -15.495 -1.083 1.00 0.00 C ATOM 844 O SER A 52 109.992 -15.248 -0.467 1.00 0.00 O ATOM 845 CB SER A 52 111.249 -15.974 -3.520 1.00 0.00 C ATOM 846 OG SER A 52 110.081 -15.251 -3.886 1.00 0.00 O ATOM 0 HA SER A 52 111.865 -17.286 -1.928 1.00 0.00 H new ATOM 0 HB2 SER A 52 112.113 -15.309 -3.507 1.00 0.00 H new ATOM 0 HB3 SER A 52 111.455 -16.751 -4.256 1.00 0.00 H new ATOM 0 HG SER A 52 109.289 -15.706 -3.530 1.00 0.00 H new ATOM 852 N VAL A 53 112.121 -14.838 -0.862 1.00 0.00 N ATOM 853 CA VAL A 53 112.184 -13.749 0.163 1.00 0.00 C ATOM 854 C VAL A 53 112.579 -12.430 -0.504 1.00 0.00 C ATOM 855 O VAL A 53 113.415 -12.390 -1.384 1.00 0.00 O ATOM 856 CB VAL A 53 113.229 -14.117 1.218 1.00 0.00 C ATOM 857 CG1 VAL A 53 113.180 -13.097 2.363 1.00 0.00 C ATOM 858 CG2 VAL A 53 112.937 -15.532 1.755 1.00 0.00 C ATOM 0 H VAL A 53 112.998 -15.011 -1.354 1.00 0.00 H new ATOM 0 HA VAL A 53 111.207 -13.634 0.632 1.00 0.00 H new ATOM 0 HB VAL A 53 114.224 -14.103 0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 53 113.924 -13.358 3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 53 113.392 -12.102 1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 53 112.188 -13.105 2.815 1.00 0.00 H new ATOM 0 HG21 VAL A 53 113.680 -15.796 2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 53 111.944 -15.553 2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 53 112.980 -16.249 0.935 1.00 0.00 H new ATOM 868 N LEU A 54 111.978 -11.349 -0.086 1.00 0.00 N ATOM 869 CA LEU A 54 112.308 -10.024 -0.685 1.00 0.00 C ATOM 870 C LEU A 54 113.779 -9.693 -0.403 1.00 0.00 C ATOM 871 O LEU A 54 114.137 -9.299 0.690 1.00 0.00 O ATOM 872 CB LEU A 54 111.410 -8.961 -0.035 1.00 0.00 C ATOM 873 CG LEU A 54 111.515 -7.623 -0.790 1.00 0.00 C ATOM 874 CD1 LEU A 54 110.605 -7.634 -2.024 1.00 0.00 C ATOM 875 CD2 LEU A 54 111.082 -6.479 0.134 1.00 0.00 C ATOM 0 H LEU A 54 111.270 -11.327 0.648 1.00 0.00 H new ATOM 0 HA LEU A 54 112.145 -10.045 -1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 54 110.375 -9.303 -0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 54 111.700 -8.820 1.006 1.00 0.00 H new ATOM 0 HG LEU A 54 112.549 -7.481 -1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 54 110.690 -6.682 -2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 54 110.906 -8.442 -2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 54 109.572 -7.786 -1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.156 -5.532 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 54 110.051 -6.637 0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 54 111.730 -6.453 1.010 1.00 0.00 H new ATOM 887 N ASP A 55 114.637 -9.853 -1.378 1.00 0.00 N ATOM 888 CA ASP A 55 116.085 -9.549 -1.162 1.00 0.00 C ATOM 889 C ASP A 55 116.288 -8.037 -1.005 1.00 0.00 C ATOM 890 O ASP A 55 115.970 -7.263 -1.887 1.00 0.00 O ATOM 891 CB ASP A 55 116.896 -10.046 -2.360 1.00 0.00 C ATOM 892 CG ASP A 55 118.388 -9.919 -2.047 1.00 0.00 C ATOM 893 OD1 ASP A 55 118.728 -9.097 -1.210 1.00 0.00 O ATOM 894 OD2 ASP A 55 119.163 -10.647 -2.642 1.00 0.00 O ATOM 0 H ASP A 55 114.398 -10.181 -2.314 1.00 0.00 H new ATOM 0 HA ASP A 55 116.421 -10.052 -0.255 1.00 0.00 H new ATOM 0 HB2 ASP A 55 116.645 -11.084 -2.578 1.00 0.00 H new ATOM 0 HB3 ASP A 55 116.648 -9.465 -3.248 1.00 0.00 H new ATOM 899 N LEU A 56 116.828 -7.613 0.106 1.00 0.00 N ATOM 900 CA LEU A 56 117.070 -6.154 0.323 1.00 0.00 C ATOM 901 C LEU A 56 118.012 -5.623 -0.763 1.00 0.00 C ATOM 902 O LEU A 56 117.903 -4.497 -1.209 1.00 0.00 O ATOM 903 CB LEU A 56 117.723 -5.941 1.694 1.00 0.00 C ATOM 904 CG LEU A 56 116.805 -6.469 2.805 1.00 0.00 C ATOM 905 CD1 LEU A 56 117.534 -6.366 4.150 1.00 0.00 C ATOM 906 CD2 LEU A 56 115.506 -5.644 2.854 1.00 0.00 C ATOM 0 H LEU A 56 117.114 -8.216 0.877 1.00 0.00 H new ATOM 0 HA LEU A 56 116.119 -5.623 0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 56 118.684 -6.454 1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 56 117.922 -4.881 1.850 1.00 0.00 H new ATOM 0 HG LEU A 56 116.552 -7.510 2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 56 116.887 -6.740 4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 56 118.447 -6.961 4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 56 117.787 -5.324 4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 56 114.862 -6.027 3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 56 115.746 -4.600 3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 56 114.990 -5.721 1.897 1.00 0.00 H new ATOM 918 N TYR A 57 118.955 -6.425 -1.162 1.00 0.00 N ATOM 919 CA TYR A 57 119.948 -5.994 -2.187 1.00 0.00 C ATOM 920 C TYR A 57 119.222 -5.534 -3.469 1.00 0.00 C ATOM 921 O TYR A 57 119.613 -4.576 -4.104 1.00 0.00 O ATOM 922 CB TYR A 57 120.869 -7.199 -2.495 1.00 0.00 C ATOM 923 CG TYR A 57 122.273 -6.738 -2.857 1.00 0.00 C ATOM 924 CD1 TYR A 57 122.472 -5.830 -3.902 1.00 0.00 C ATOM 925 CD2 TYR A 57 123.379 -7.226 -2.139 1.00 0.00 C ATOM 926 CE1 TYR A 57 123.761 -5.406 -4.230 1.00 0.00 C ATOM 927 CE2 TYR A 57 124.673 -6.802 -2.467 1.00 0.00 C ATOM 928 CZ TYR A 57 124.865 -5.890 -3.512 1.00 0.00 C ATOM 929 OH TYR A 57 126.138 -5.470 -3.839 1.00 0.00 O ATOM 0 H TYR A 57 119.084 -7.376 -0.817 1.00 0.00 H new ATOM 0 HA TYR A 57 120.537 -5.156 -1.815 1.00 0.00 H new ATOM 0 HB2 TYR A 57 120.912 -7.859 -1.628 1.00 0.00 H new ATOM 0 HB3 TYR A 57 120.450 -7.780 -3.317 1.00 0.00 H new ATOM 0 HD1 TYR A 57 121.625 -5.455 -4.457 1.00 0.00 H new ATOM 0 HD2 TYR A 57 123.230 -7.929 -1.333 1.00 0.00 H new ATOM 0 HE1 TYR A 57 123.909 -4.704 -5.038 1.00 0.00 H new ATOM 0 HE2 TYR A 57 125.522 -7.178 -1.915 1.00 0.00 H new ATOM 0 HH TYR A 57 126.787 -5.900 -3.244 1.00 0.00 H new ATOM 939 N GLU A 58 118.175 -6.207 -3.863 1.00 0.00 N ATOM 940 CA GLU A 58 117.471 -5.806 -5.120 1.00 0.00 C ATOM 941 C GLU A 58 116.944 -4.371 -5.034 1.00 0.00 C ATOM 942 O GLU A 58 117.039 -3.623 -5.985 1.00 0.00 O ATOM 943 CB GLU A 58 116.293 -6.754 -5.365 1.00 0.00 C ATOM 944 CG GLU A 58 116.814 -8.116 -5.824 1.00 0.00 C ATOM 945 CD GLU A 58 115.666 -9.127 -5.828 1.00 0.00 C ATOM 946 OE1 GLU A 58 114.560 -8.739 -5.487 1.00 0.00 O ATOM 947 OE2 GLU A 58 115.911 -10.272 -6.171 1.00 0.00 O ATOM 0 H GLU A 58 117.778 -7.010 -3.376 1.00 0.00 H new ATOM 0 HA GLU A 58 118.186 -5.862 -5.940 1.00 0.00 H new ATOM 0 HB2 GLU A 58 115.708 -6.866 -4.452 1.00 0.00 H new ATOM 0 HB3 GLU A 58 115.628 -6.335 -6.120 1.00 0.00 H new ATOM 0 HG2 GLU A 58 117.245 -8.035 -6.822 1.00 0.00 H new ATOM 0 HG3 GLU A 58 117.609 -8.455 -5.160 1.00 0.00 H new ATOM 954 N LEU A 59 116.387 -3.964 -3.930 1.00 0.00 N ATOM 955 CA LEU A 59 115.873 -2.567 -3.868 1.00 0.00 C ATOM 956 C LEU A 59 117.034 -1.598 -4.112 1.00 0.00 C ATOM 957 O LEU A 59 116.911 -0.641 -4.851 1.00 0.00 O ATOM 958 CB LEU A 59 115.244 -2.284 -2.492 1.00 0.00 C ATOM 959 CG LEU A 59 114.712 -0.836 -2.438 1.00 0.00 C ATOM 960 CD1 LEU A 59 113.576 -0.653 -3.462 1.00 0.00 C ATOM 961 CD2 LEU A 59 114.183 -0.540 -1.028 1.00 0.00 C ATOM 0 H LEU A 59 116.266 -4.522 -3.085 1.00 0.00 H new ATOM 0 HA LEU A 59 115.107 -2.433 -4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 59 114.431 -2.985 -2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 59 115.985 -2.437 -1.707 1.00 0.00 H new ATOM 0 HG LEU A 59 115.522 -0.148 -2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 59 113.207 0.372 -3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 59 113.953 -0.859 -4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 59 112.763 -1.342 -3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 59 113.807 0.482 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 59 113.376 -1.233 -0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 59 114.990 -0.659 -0.304 1.00 0.00 H new ATOM 973 N TYR A 60 118.150 -1.816 -3.467 1.00 0.00 N ATOM 974 CA TYR A 60 119.300 -0.880 -3.636 1.00 0.00 C ATOM 975 C TYR A 60 119.783 -0.806 -5.096 1.00 0.00 C ATOM 976 O TYR A 60 119.965 0.269 -5.634 1.00 0.00 O ATOM 977 CB TYR A 60 120.471 -1.329 -2.761 1.00 0.00 C ATOM 978 CG TYR A 60 121.492 -0.226 -2.787 1.00 0.00 C ATOM 979 CD1 TYR A 60 121.222 0.960 -2.109 1.00 0.00 C ATOM 980 CD2 TYR A 60 122.676 -0.364 -3.519 1.00 0.00 C ATOM 981 CE1 TYR A 60 122.127 2.014 -2.158 1.00 0.00 C ATOM 982 CE2 TYR A 60 123.593 0.692 -3.562 1.00 0.00 C ATOM 983 CZ TYR A 60 123.313 1.885 -2.882 1.00 0.00 C ATOM 984 OH TYR A 60 124.193 2.941 -2.934 1.00 0.00 O ATOM 0 H TYR A 60 118.314 -2.598 -2.833 1.00 0.00 H new ATOM 0 HA TYR A 60 118.950 0.108 -3.338 1.00 0.00 H new ATOM 0 HB2 TYR A 60 120.138 -1.521 -1.741 1.00 0.00 H new ATOM 0 HB3 TYR A 60 120.899 -2.258 -3.137 1.00 0.00 H new ATOM 0 HD1 TYR A 60 120.307 1.061 -1.544 1.00 0.00 H new ATOM 0 HD2 TYR A 60 122.882 -1.282 -4.049 1.00 0.00 H new ATOM 0 HE1 TYR A 60 121.912 2.934 -1.635 1.00 0.00 H new ATOM 0 HE2 TYR A 60 124.513 0.588 -4.117 1.00 0.00 H new ATOM 0 HH TYR A 60 124.351 3.280 -2.028 1.00 0.00 H new ATOM 994 N ASN A 61 120.028 -1.922 -5.734 1.00 0.00 N ATOM 995 CA ASN A 61 120.540 -1.879 -7.141 1.00 0.00 C ATOM 996 C ASN A 61 119.556 -1.163 -8.076 1.00 0.00 C ATOM 997 O ASN A 61 119.960 -0.418 -8.949 1.00 0.00 O ATOM 998 CB ASN A 61 120.768 -3.307 -7.647 1.00 0.00 C ATOM 999 CG ASN A 61 122.002 -3.903 -6.967 1.00 0.00 C ATOM 1000 OD1 ASN A 61 122.892 -3.184 -6.559 1.00 0.00 O ATOM 1001 ND2 ASN A 61 122.096 -5.198 -6.831 1.00 0.00 N ATOM 0 H ASN A 61 119.897 -2.856 -5.346 1.00 0.00 H new ATOM 0 HA ASN A 61 121.478 -1.323 -7.141 1.00 0.00 H new ATOM 0 HB2 ASN A 61 119.893 -3.922 -7.437 1.00 0.00 H new ATOM 0 HB3 ASN A 61 120.903 -3.303 -8.729 1.00 0.00 H new ATOM 0 HD21 ASN A 61 122.916 -5.605 -6.382 1.00 0.00 H new ATOM 0 HD22 ASN A 61 121.349 -5.802 -7.173 1.00 0.00 H new ATOM 1008 N LEU A 62 118.281 -1.380 -7.925 1.00 0.00 N ATOM 1009 CA LEU A 62 117.306 -0.703 -8.833 1.00 0.00 C ATOM 1010 C LEU A 62 117.391 0.817 -8.655 1.00 0.00 C ATOM 1011 O LEU A 62 117.302 1.569 -9.606 1.00 0.00 O ATOM 1012 CB LEU A 62 115.881 -1.168 -8.509 1.00 0.00 C ATOM 1013 CG LEU A 62 115.731 -2.670 -8.791 1.00 0.00 C ATOM 1014 CD1 LEU A 62 114.331 -3.123 -8.358 1.00 0.00 C ATOM 1015 CD2 LEU A 62 115.925 -2.956 -10.294 1.00 0.00 C ATOM 0 H LEU A 62 117.870 -1.991 -7.219 1.00 0.00 H new ATOM 0 HA LEU A 62 117.550 -0.962 -9.863 1.00 0.00 H new ATOM 0 HB2 LEU A 62 115.654 -0.963 -7.463 1.00 0.00 H new ATOM 0 HB3 LEU A 62 115.163 -0.606 -9.107 1.00 0.00 H new ATOM 0 HG LEU A 62 116.489 -3.217 -8.231 1.00 0.00 H new ATOM 0 HD11 LEU A 62 114.216 -4.189 -8.555 1.00 0.00 H new ATOM 0 HD12 LEU A 62 114.201 -2.935 -7.292 1.00 0.00 H new ATOM 0 HD13 LEU A 62 113.579 -2.568 -8.919 1.00 0.00 H new ATOM 0 HD21 LEU A 62 115.816 -4.025 -10.478 1.00 0.00 H new ATOM 0 HD22 LEU A 62 115.176 -2.411 -10.868 1.00 0.00 H new ATOM 0 HD23 LEU A 62 116.921 -2.635 -10.600 1.00 0.00 H new ATOM 1027 N VAL A 63 117.540 1.274 -7.443 1.00 0.00 N ATOM 1028 CA VAL A 63 117.603 2.744 -7.194 1.00 0.00 C ATOM 1029 C VAL A 63 118.889 3.343 -7.787 1.00 0.00 C ATOM 1030 O VAL A 63 118.839 4.264 -8.579 1.00 0.00 O ATOM 1031 CB VAL A 63 117.546 2.975 -5.673 1.00 0.00 C ATOM 1032 CG1 VAL A 63 118.038 4.388 -5.316 1.00 0.00 C ATOM 1033 CG2 VAL A 63 116.096 2.796 -5.200 1.00 0.00 C ATOM 0 H VAL A 63 117.621 0.691 -6.610 1.00 0.00 H new ATOM 0 HA VAL A 63 116.761 3.239 -7.678 1.00 0.00 H new ATOM 0 HB VAL A 63 118.196 2.254 -5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 63 117.989 4.528 -4.236 1.00 0.00 H new ATOM 0 HG12 VAL A 63 119.068 4.510 -5.651 1.00 0.00 H new ATOM 0 HG13 VAL A 63 117.406 5.128 -5.807 1.00 0.00 H new ATOM 0 HG21 VAL A 63 116.042 2.957 -4.123 1.00 0.00 H new ATOM 0 HG22 VAL A 63 115.456 3.518 -5.707 1.00 0.00 H new ATOM 0 HG23 VAL A 63 115.759 1.786 -5.433 1.00 0.00 H new ATOM 1043 N ILE A 64 120.037 2.845 -7.416 1.00 0.00 N ATOM 1044 CA ILE A 64 121.299 3.416 -7.972 1.00 0.00 C ATOM 1045 C ILE A 64 121.341 3.203 -9.485 1.00 0.00 C ATOM 1046 O ILE A 64 121.763 4.064 -10.231 1.00 0.00 O ATOM 1047 CB ILE A 64 122.507 2.713 -7.343 1.00 0.00 C ATOM 1048 CG1 ILE A 64 122.544 2.957 -5.824 1.00 0.00 C ATOM 1049 CG2 ILE A 64 123.797 3.227 -7.988 1.00 0.00 C ATOM 1050 CD1 ILE A 64 122.545 4.458 -5.502 1.00 0.00 C ATOM 0 H ILE A 64 120.157 2.075 -6.758 1.00 0.00 H new ATOM 0 HA ILE A 64 121.331 4.482 -7.747 1.00 0.00 H new ATOM 0 HB ILE A 64 122.419 1.641 -7.518 1.00 0.00 H new ATOM 0 HG12 ILE A 64 121.681 2.483 -5.356 1.00 0.00 H new ATOM 0 HG13 ILE A 64 123.433 2.491 -5.400 1.00 0.00 H new ATOM 0 HG21 ILE A 64 124.654 2.725 -7.538 1.00 0.00 H new ATOM 0 HG22 ILE A 64 123.776 3.021 -9.058 1.00 0.00 H new ATOM 0 HG23 ILE A 64 123.881 4.302 -7.827 1.00 0.00 H new ATOM 0 HD11 ILE A 64 122.571 4.598 -4.421 1.00 0.00 H new ATOM 0 HD12 ILE A 64 123.422 4.926 -5.950 1.00 0.00 H new ATOM 0 HD13 ILE A 64 121.643 4.917 -5.905 1.00 0.00 H new ATOM 1062 N ALA A 65 120.915 2.062 -9.946 1.00 0.00 N ATOM 1063 CA ALA A 65 120.946 1.797 -11.408 1.00 0.00 C ATOM 1064 C ALA A 65 120.238 2.931 -12.153 1.00 0.00 C ATOM 1065 O ALA A 65 120.437 3.119 -13.337 1.00 0.00 O ATOM 1066 CB ALA A 65 120.242 0.471 -11.703 1.00 0.00 C ATOM 0 H ALA A 65 120.547 1.302 -9.373 1.00 0.00 H new ATOM 0 HA ALA A 65 121.982 1.739 -11.742 1.00 0.00 H new ATOM 0 HB1 ALA A 65 120.265 0.277 -12.775 1.00 0.00 H new ATOM 0 HB2 ALA A 65 120.752 -0.336 -11.177 1.00 0.00 H new ATOM 0 HB3 ALA A 65 119.207 0.526 -11.367 1.00 0.00 H new ATOM 1072 N ARG A 66 119.407 3.686 -11.475 1.00 0.00 N ATOM 1073 CA ARG A 66 118.681 4.801 -12.158 1.00 0.00 C ATOM 1074 C ARG A 66 119.400 6.135 -11.922 1.00 0.00 C ATOM 1075 O ARG A 66 119.289 7.046 -12.719 1.00 0.00 O ATOM 1076 CB ARG A 66 117.254 4.887 -11.619 1.00 0.00 C ATOM 1077 CG ARG A 66 116.462 3.672 -12.107 1.00 0.00 C ATOM 1078 CD ARG A 66 115.007 3.799 -11.665 1.00 0.00 C ATOM 1079 NE ARG A 66 114.940 3.883 -10.181 1.00 0.00 N ATOM 1080 CZ ARG A 66 113.845 4.291 -9.599 1.00 0.00 C ATOM 1081 NH1 ARG A 66 112.940 4.938 -10.282 1.00 0.00 N ATOM 1082 NH2 ARG A 66 113.657 4.055 -8.330 1.00 0.00 N ATOM 0 H ARG A 66 119.201 3.578 -10.482 1.00 0.00 H new ATOM 0 HA ARG A 66 118.659 4.600 -13.229 1.00 0.00 H new ATOM 0 HB2 ARG A 66 117.264 4.917 -10.529 1.00 0.00 H new ATOM 0 HB3 ARG A 66 116.778 5.807 -11.958 1.00 0.00 H new ATOM 0 HG2 ARG A 66 116.518 3.601 -13.193 1.00 0.00 H new ATOM 0 HG3 ARG A 66 116.896 2.757 -11.705 1.00 0.00 H new ATOM 0 HD2 ARG A 66 114.558 4.687 -12.110 1.00 0.00 H new ATOM 0 HD3 ARG A 66 114.434 2.941 -12.017 1.00 0.00 H new ATOM 0 HE ARG A 66 115.750 3.622 -9.618 1.00 0.00 H new ATOM 0 HH11 ARG A 66 113.087 5.126 -11.274 1.00 0.00 H new ATOM 0 HH12 ARG A 66 112.086 5.255 -9.824 1.00 0.00 H new ATOM 0 HH21 ARG A 66 114.365 3.553 -7.794 1.00 0.00 H new ATOM 0 HH22 ARG A 66 112.802 4.373 -7.873 1.00 0.00 H new ATOM 1096 N GLY A 67 120.149 6.268 -10.852 1.00 0.00 N ATOM 1097 CA GLY A 67 120.872 7.560 -10.618 1.00 0.00 C ATOM 1098 C GLY A 67 121.024 7.858 -9.119 1.00 0.00 C ATOM 1099 O GLY A 67 121.939 8.547 -8.716 1.00 0.00 O ATOM 0 H GLY A 67 120.290 5.550 -10.141 1.00 0.00 H new ATOM 0 HA2 GLY A 67 121.857 7.516 -11.083 1.00 0.00 H new ATOM 0 HA3 GLY A 67 120.329 8.374 -11.098 1.00 0.00 H new ATOM 1103 N GLY A 68 120.144 7.362 -8.284 1.00 0.00 N ATOM 1104 CA GLY A 68 120.269 7.648 -6.818 1.00 0.00 C ATOM 1105 C GLY A 68 118.884 7.738 -6.176 1.00 0.00 C ATOM 1106 O GLY A 68 117.913 8.090 -6.815 1.00 0.00 O ATOM 0 H GLY A 68 119.352 6.777 -8.549 1.00 0.00 H new ATOM 0 HA2 GLY A 68 120.851 6.863 -6.335 1.00 0.00 H new ATOM 0 HA3 GLY A 68 120.809 8.583 -6.667 1.00 0.00 H new ATOM 1110 N LEU A 69 118.787 7.428 -4.910 1.00 0.00 N ATOM 1111 CA LEU A 69 117.465 7.503 -4.227 1.00 0.00 C ATOM 1112 C LEU A 69 116.933 8.935 -4.303 1.00 0.00 C ATOM 1113 O LEU A 69 115.779 9.163 -4.604 1.00 0.00 O ATOM 1114 CB LEU A 69 117.619 7.107 -2.751 1.00 0.00 C ATOM 1115 CG LEU A 69 116.229 6.838 -2.129 1.00 0.00 C ATOM 1116 CD1 LEU A 69 115.781 5.400 -2.440 1.00 0.00 C ATOM 1117 CD2 LEU A 69 116.286 7.037 -0.601 1.00 0.00 C ATOM 0 H LEU A 69 119.564 7.127 -4.322 1.00 0.00 H new ATOM 0 HA LEU A 69 116.771 6.821 -4.718 1.00 0.00 H new ATOM 0 HB2 LEU A 69 118.242 6.217 -2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 69 118.124 7.902 -2.203 1.00 0.00 H new ATOM 0 HG LEU A 69 115.514 7.540 -2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 69 114.801 5.220 -1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 69 115.722 5.263 -3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 69 116.502 4.696 -2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 69 115.302 6.845 -0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 69 117.010 6.345 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 69 116.586 8.061 -0.378 1.00 0.00 H new ATOM 1129 N VAL A 70 117.764 9.904 -4.020 1.00 0.00 N ATOM 1130 CA VAL A 70 117.292 11.316 -4.065 1.00 0.00 C ATOM 1131 C VAL A 70 116.821 11.647 -5.479 1.00 0.00 C ATOM 1132 O VAL A 70 115.822 12.313 -5.664 1.00 0.00 O ATOM 1133 CB VAL A 70 118.425 12.265 -3.656 1.00 0.00 C ATOM 1134 CG1 VAL A 70 117.927 13.711 -3.744 1.00 0.00 C ATOM 1135 CG2 VAL A 70 118.873 11.958 -2.210 1.00 0.00 C ATOM 0 H VAL A 70 118.743 9.778 -3.761 1.00 0.00 H new ATOM 0 HA VAL A 70 116.464 11.441 -3.367 1.00 0.00 H new ATOM 0 HB VAL A 70 119.273 12.127 -4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 70 118.729 14.390 -3.454 1.00 0.00 H new ATOM 0 HG12 VAL A 70 117.619 13.928 -4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 70 117.078 13.845 -3.074 1.00 0.00 H new ATOM 0 HG21 VAL A 70 119.678 12.636 -1.927 1.00 0.00 H new ATOM 0 HG22 VAL A 70 118.030 12.092 -1.532 1.00 0.00 H new ATOM 0 HG23 VAL A 70 119.227 10.929 -2.150 1.00 0.00 H new ATOM 1145 N ASP A 71 117.515 11.185 -6.484 1.00 0.00 N ATOM 1146 CA ASP A 71 117.068 11.485 -7.869 1.00 0.00 C ATOM 1147 C ASP A 71 115.666 10.912 -8.054 1.00 0.00 C ATOM 1148 O ASP A 71 114.808 11.517 -8.662 1.00 0.00 O ATOM 1149 CB ASP A 71 118.020 10.836 -8.876 1.00 0.00 C ATOM 1150 CG ASP A 71 117.549 11.152 -10.298 1.00 0.00 C ATOM 1151 OD1 ASP A 71 116.521 10.626 -10.690 1.00 0.00 O ATOM 1152 OD2 ASP A 71 118.225 11.916 -10.969 1.00 0.00 O ATOM 0 H ASP A 71 118.361 10.620 -6.406 1.00 0.00 H new ATOM 0 HA ASP A 71 117.064 12.563 -8.033 1.00 0.00 H new ATOM 0 HB2 ASP A 71 119.034 11.207 -8.726 1.00 0.00 H new ATOM 0 HB3 ASP A 71 118.049 9.757 -8.722 1.00 0.00 H new ATOM 1157 N VAL A 72 115.434 9.748 -7.523 1.00 0.00 N ATOM 1158 CA VAL A 72 114.095 9.117 -7.649 1.00 0.00 C ATOM 1159 C VAL A 72 113.061 9.940 -6.867 1.00 0.00 C ATOM 1160 O VAL A 72 112.005 10.265 -7.370 1.00 0.00 O ATOM 1161 CB VAL A 72 114.174 7.696 -7.081 1.00 0.00 C ATOM 1162 CG1 VAL A 72 112.769 7.092 -6.960 1.00 0.00 C ATOM 1163 CG2 VAL A 72 115.036 6.835 -8.009 1.00 0.00 C ATOM 0 H VAL A 72 116.121 9.202 -7.003 1.00 0.00 H new ATOM 0 HA VAL A 72 113.792 9.081 -8.695 1.00 0.00 H new ATOM 0 HB VAL A 72 114.622 7.728 -6.088 1.00 0.00 H new ATOM 0 HG11 VAL A 72 112.841 6.082 -6.555 1.00 0.00 H new ATOM 0 HG12 VAL A 72 112.164 7.708 -6.294 1.00 0.00 H new ATOM 0 HG13 VAL A 72 112.302 7.056 -7.944 1.00 0.00 H new ATOM 0 HG21 VAL A 72 115.098 5.822 -7.612 1.00 0.00 H new ATOM 0 HG22 VAL A 72 114.587 6.809 -9.002 1.00 0.00 H new ATOM 0 HG23 VAL A 72 116.037 7.261 -8.074 1.00 0.00 H new ATOM 1173 N ILE A 73 113.355 10.268 -5.637 1.00 0.00 N ATOM 1174 CA ILE A 73 112.387 11.057 -4.818 1.00 0.00 C ATOM 1175 C ILE A 73 112.141 12.433 -5.450 1.00 0.00 C ATOM 1176 O ILE A 73 111.014 12.841 -5.653 1.00 0.00 O ATOM 1177 CB ILE A 73 112.967 11.256 -3.414 1.00 0.00 C ATOM 1178 CG1 ILE A 73 113.178 9.894 -2.747 1.00 0.00 C ATOM 1179 CG2 ILE A 73 111.993 12.087 -2.576 1.00 0.00 C ATOM 1180 CD1 ILE A 73 113.985 10.078 -1.458 1.00 0.00 C ATOM 0 H ILE A 73 114.224 10.024 -5.163 1.00 0.00 H new ATOM 0 HA ILE A 73 111.443 10.514 -4.770 1.00 0.00 H new ATOM 0 HB ILE A 73 113.923 11.775 -3.487 1.00 0.00 H new ATOM 0 HG12 ILE A 73 112.216 9.433 -2.524 1.00 0.00 H new ATOM 0 HG13 ILE A 73 113.704 9.222 -3.425 1.00 0.00 H new ATOM 0 HG21 ILE A 73 112.403 12.230 -1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 73 111.843 13.058 -3.049 1.00 0.00 H new ATOM 0 HG23 ILE A 73 111.038 11.566 -2.505 1.00 0.00 H new ATOM 0 HD11 ILE A 73 114.136 9.109 -0.982 1.00 0.00 H new ATOM 0 HD12 ILE A 73 114.952 10.521 -1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 73 113.441 10.735 -0.779 1.00 0.00 H new ATOM 1192 N ASN A 74 113.187 13.156 -5.748 1.00 0.00 N ATOM 1193 CA ASN A 74 113.018 14.513 -6.349 1.00 0.00 C ATOM 1194 C ASN A 74 112.269 14.420 -7.681 1.00 0.00 C ATOM 1195 O ASN A 74 111.338 15.160 -7.930 1.00 0.00 O ATOM 1196 CB ASN A 74 114.394 15.139 -6.577 1.00 0.00 C ATOM 1197 CG ASN A 74 114.231 16.530 -7.194 1.00 0.00 C ATOM 1198 OD1 ASN A 74 113.164 16.883 -7.657 1.00 0.00 O ATOM 1199 ND2 ASN A 74 115.254 17.340 -7.222 1.00 0.00 N ATOM 0 H ASN A 74 114.154 12.866 -5.601 1.00 0.00 H new ATOM 0 HA ASN A 74 112.438 15.133 -5.666 1.00 0.00 H new ATOM 0 HB2 ASN A 74 114.933 15.210 -5.632 1.00 0.00 H new ATOM 0 HB3 ASN A 74 114.988 14.506 -7.236 1.00 0.00 H new ATOM 0 HD21 ASN A 74 115.158 18.269 -7.632 1.00 0.00 H new ATOM 0 HD22 ASN A 74 116.150 17.044 -6.834 1.00 0.00 H new ATOM 1206 N LYS A 75 112.668 13.523 -8.542 1.00 0.00 N ATOM 1207 CA LYS A 75 111.982 13.394 -9.863 1.00 0.00 C ATOM 1208 C LYS A 75 110.812 12.417 -9.727 1.00 0.00 C ATOM 1209 O LYS A 75 110.093 12.156 -10.670 1.00 0.00 O ATOM 1210 CB LYS A 75 112.978 12.870 -10.901 1.00 0.00 C ATOM 1211 CG LYS A 75 114.029 13.951 -11.195 1.00 0.00 C ATOM 1212 CD LYS A 75 115.154 13.379 -12.080 1.00 0.00 C ATOM 1213 CE LYS A 75 114.747 13.411 -13.564 1.00 0.00 C ATOM 1214 NZ LYS A 75 115.209 14.692 -14.171 1.00 0.00 N ATOM 0 H LYS A 75 113.439 12.873 -8.389 1.00 0.00 H new ATOM 0 HA LYS A 75 111.607 14.366 -10.184 1.00 0.00 H new ATOM 0 HB2 LYS A 75 113.464 11.967 -10.531 1.00 0.00 H new ATOM 0 HB3 LYS A 75 112.455 12.598 -11.818 1.00 0.00 H new ATOM 0 HG2 LYS A 75 113.559 14.798 -11.695 1.00 0.00 H new ATOM 0 HG3 LYS A 75 114.447 14.325 -10.260 1.00 0.00 H new ATOM 0 HD2 LYS A 75 116.067 13.957 -11.935 1.00 0.00 H new ATOM 0 HD3 LYS A 75 115.374 12.355 -11.780 1.00 0.00 H new ATOM 0 HE2 LYS A 75 115.186 12.565 -14.092 1.00 0.00 H new ATOM 0 HE3 LYS A 75 113.665 13.319 -13.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 114.936 14.719 -15.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 114.770 15.491 -13.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 116.244 14.761 -14.091 1.00 0.00 H new ATOM 1228 N LYS A 76 110.612 11.884 -8.552 1.00 0.00 N ATOM 1229 CA LYS A 76 109.485 10.932 -8.335 1.00 0.00 C ATOM 1230 C LYS A 76 109.504 9.847 -9.417 1.00 0.00 C ATOM 1231 O LYS A 76 108.578 9.713 -10.193 1.00 0.00 O ATOM 1232 CB LYS A 76 108.158 11.696 -8.402 1.00 0.00 C ATOM 1233 CG LYS A 76 107.017 10.791 -7.929 1.00 0.00 C ATOM 1234 CD LYS A 76 105.733 11.617 -7.789 1.00 0.00 C ATOM 1235 CE LYS A 76 105.312 12.159 -9.162 1.00 0.00 C ATOM 1236 NZ LYS A 76 103.853 12.465 -9.148 1.00 0.00 N ATOM 0 H LYS A 76 111.184 12.068 -7.728 1.00 0.00 H new ATOM 0 HA LYS A 76 109.592 10.463 -7.357 1.00 0.00 H new ATOM 0 HB2 LYS A 76 108.209 12.589 -7.779 1.00 0.00 H new ATOM 0 HB3 LYS A 76 107.971 12.030 -9.422 1.00 0.00 H new ATOM 0 HG2 LYS A 76 106.864 9.979 -8.640 1.00 0.00 H new ATOM 0 HG3 LYS A 76 107.274 10.334 -6.973 1.00 0.00 H new ATOM 0 HD2 LYS A 76 104.937 11.001 -7.371 1.00 0.00 H new ATOM 0 HD3 LYS A 76 105.894 12.442 -7.096 1.00 0.00 H new ATOM 0 HE2 LYS A 76 105.881 13.058 -9.400 1.00 0.00 H new ATOM 0 HE3 LYS A 76 105.534 11.426 -9.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 103.566 12.832 -10.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 103.318 11.598 -8.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 103.655 13.179 -8.418 1.00 0.00 H new ATOM 1250 N LEU A 77 110.552 9.066 -9.480 1.00 0.00 N ATOM 1251 CA LEU A 77 110.625 7.985 -10.511 1.00 0.00 C ATOM 1252 C LEU A 77 110.101 6.687 -9.900 1.00 0.00 C ATOM 1253 O LEU A 77 110.224 5.623 -10.474 1.00 0.00 O ATOM 1254 CB LEU A 77 112.076 7.774 -10.943 1.00 0.00 C ATOM 1255 CG LEU A 77 112.682 9.094 -11.420 1.00 0.00 C ATOM 1256 CD1 LEU A 77 114.147 8.862 -11.796 1.00 0.00 C ATOM 1257 CD2 LEU A 77 111.910 9.614 -12.642 1.00 0.00 C ATOM 0 H LEU A 77 111.361 9.130 -8.862 1.00 0.00 H new ATOM 0 HA LEU A 77 110.027 8.269 -11.377 1.00 0.00 H new ATOM 0 HB2 LEU A 77 112.657 7.379 -10.110 1.00 0.00 H new ATOM 0 HB3 LEU A 77 112.121 7.035 -11.743 1.00 0.00 H new ATOM 0 HG LEU A 77 112.618 9.834 -10.622 1.00 0.00 H new ATOM 0 HD11 LEU A 77 114.588 9.799 -12.138 1.00 0.00 H new ATOM 0 HD12 LEU A 77 114.693 8.500 -10.925 1.00 0.00 H new ATOM 0 HD13 LEU A 77 114.205 8.122 -12.594 1.00 0.00 H new ATOM 0 HD21 LEU A 77 112.348 10.555 -12.976 1.00 0.00 H new ATOM 0 HD22 LEU A 77 111.967 8.881 -13.447 1.00 0.00 H new ATOM 0 HD23 LEU A 77 110.867 9.775 -12.371 1.00 0.00 H new ATOM 1269 N TRP A 78 109.519 6.766 -8.734 1.00 0.00 N ATOM 1270 CA TRP A 78 108.989 5.539 -8.079 1.00 0.00 C ATOM 1271 C TRP A 78 108.127 4.775 -9.080 1.00 0.00 C ATOM 1272 O TRP A 78 107.851 3.604 -8.915 1.00 0.00 O ATOM 1273 CB TRP A 78 108.136 5.933 -6.871 1.00 0.00 C ATOM 1274 CG TRP A 78 109.016 6.482 -5.795 1.00 0.00 C ATOM 1275 CD1 TRP A 78 109.061 7.781 -5.417 1.00 0.00 C ATOM 1276 CD2 TRP A 78 109.973 5.777 -4.952 1.00 0.00 C ATOM 1277 NE1 TRP A 78 109.984 7.917 -4.396 1.00 0.00 N ATOM 1278 CE2 TRP A 78 110.573 6.711 -4.075 1.00 0.00 C ATOM 1279 CE3 TRP A 78 110.376 4.432 -4.865 1.00 0.00 C ATOM 1280 CZ2 TRP A 78 111.537 6.325 -3.144 1.00 0.00 C ATOM 1281 CZ3 TRP A 78 111.346 4.039 -3.929 1.00 0.00 C ATOM 1282 CH2 TRP A 78 111.925 4.984 -3.070 1.00 0.00 C ATOM 0 H TRP A 78 109.388 7.629 -8.207 1.00 0.00 H new ATOM 0 HA TRP A 78 109.816 4.911 -7.748 1.00 0.00 H new ATOM 0 HB2 TRP A 78 107.395 6.677 -7.163 1.00 0.00 H new ATOM 0 HB3 TRP A 78 107.589 5.066 -6.501 1.00 0.00 H new ATOM 0 HD1 TRP A 78 108.473 8.580 -5.843 1.00 0.00 H new ATOM 0 HE1 TRP A 78 110.203 8.801 -3.936 1.00 0.00 H new ATOM 0 HE3 TRP A 78 109.936 3.697 -5.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 111.981 7.057 -2.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 111.648 3.004 -3.870 1.00 0.00 H new ATOM 0 HH2 TRP A 78 112.670 4.676 -2.352 1.00 0.00 H new ATOM 1293 N GLN A 79 107.702 5.433 -10.121 1.00 0.00 N ATOM 1294 CA GLN A 79 106.862 4.746 -11.134 1.00 0.00 C ATOM 1295 C GLN A 79 107.650 3.572 -11.719 1.00 0.00 C ATOM 1296 O GLN A 79 107.110 2.512 -11.955 1.00 0.00 O ATOM 1297 CB GLN A 79 106.512 5.731 -12.251 1.00 0.00 C ATOM 1298 CG GLN A 79 105.548 6.792 -11.714 1.00 0.00 C ATOM 1299 CD GLN A 79 104.190 6.152 -11.423 1.00 0.00 C ATOM 1300 OE1 GLN A 79 103.454 5.820 -12.330 1.00 0.00 O ATOM 1301 NE2 GLN A 79 103.830 5.956 -10.184 1.00 0.00 N ATOM 0 H GLN A 79 107.901 6.415 -10.312 1.00 0.00 H new ATOM 0 HA GLN A 79 105.945 4.381 -10.671 1.00 0.00 H new ATOM 0 HB2 GLN A 79 107.418 6.205 -12.629 1.00 0.00 H new ATOM 0 HB3 GLN A 79 106.057 5.201 -13.088 1.00 0.00 H new ATOM 0 HG2 GLN A 79 105.953 7.239 -10.806 1.00 0.00 H new ATOM 0 HG3 GLN A 79 105.434 7.596 -12.441 1.00 0.00 H new ATOM 0 HE21 GLN A 79 104.449 6.235 -9.423 1.00 0.00 H new ATOM 0 HE22 GLN A 79 102.930 5.524 -9.977 1.00 0.00 H new ATOM 1310 N GLU A 80 108.923 3.753 -11.957 1.00 0.00 N ATOM 1311 CA GLU A 80 109.733 2.641 -12.533 1.00 0.00 C ATOM 1312 C GLU A 80 109.744 1.441 -11.575 1.00 0.00 C ATOM 1313 O GLU A 80 109.460 0.325 -11.968 1.00 0.00 O ATOM 1314 CB GLU A 80 111.164 3.122 -12.780 1.00 0.00 C ATOM 1315 CG GLU A 80 111.162 4.122 -13.939 1.00 0.00 C ATOM 1316 CD GLU A 80 112.598 4.521 -14.282 1.00 0.00 C ATOM 1317 OE1 GLU A 80 113.495 3.760 -13.966 1.00 0.00 O ATOM 1318 OE2 GLU A 80 112.775 5.575 -14.869 1.00 0.00 O ATOM 0 H GLU A 80 109.434 4.618 -11.778 1.00 0.00 H new ATOM 0 HA GLU A 80 109.288 2.331 -13.478 1.00 0.00 H new ATOM 0 HB2 GLU A 80 111.564 3.590 -11.880 1.00 0.00 H new ATOM 0 HB3 GLU A 80 111.810 2.276 -13.014 1.00 0.00 H new ATOM 0 HG2 GLU A 80 110.679 3.681 -14.811 1.00 0.00 H new ATOM 0 HG3 GLU A 80 110.584 5.006 -13.668 1.00 0.00 H new ATOM 1325 N ILE A 81 110.049 1.654 -10.320 1.00 0.00 N ATOM 1326 CA ILE A 81 110.053 0.514 -9.356 1.00 0.00 C ATOM 1327 C ILE A 81 108.635 -0.048 -9.267 1.00 0.00 C ATOM 1328 O ILE A 81 108.416 -1.238 -9.395 1.00 0.00 O ATOM 1329 CB ILE A 81 110.519 1.008 -7.979 1.00 0.00 C ATOM 1330 CG1 ILE A 81 111.988 1.454 -8.060 1.00 0.00 C ATOM 1331 CG2 ILE A 81 110.386 -0.126 -6.960 1.00 0.00 C ATOM 1332 CD1 ILE A 81 112.383 2.173 -6.769 1.00 0.00 C ATOM 0 H ILE A 81 110.294 2.562 -9.924 1.00 0.00 H new ATOM 0 HA ILE A 81 110.735 -0.267 -9.693 1.00 0.00 H new ATOM 0 HB ILE A 81 109.902 1.852 -7.669 1.00 0.00 H new ATOM 0 HG12 ILE A 81 112.632 0.589 -8.217 1.00 0.00 H new ATOM 0 HG13 ILE A 81 112.130 2.116 -8.914 1.00 0.00 H new ATOM 0 HG21 ILE A 81 110.717 0.223 -5.982 1.00 0.00 H new ATOM 0 HG22 ILE A 81 109.344 -0.441 -6.900 1.00 0.00 H new ATOM 0 HG23 ILE A 81 111.002 -0.969 -7.272 1.00 0.00 H new ATOM 0 HD11 ILE A 81 113.425 2.487 -6.832 1.00 0.00 H new ATOM 0 HD12 ILE A 81 111.748 3.048 -6.631 1.00 0.00 H new ATOM 0 HD13 ILE A 81 112.258 1.497 -5.923 1.00 0.00 H new ATOM 1344 N ILE A 82 107.660 0.801 -9.087 1.00 0.00 N ATOM 1345 CA ILE A 82 106.262 0.307 -9.033 1.00 0.00 C ATOM 1346 C ILE A 82 105.970 -0.377 -10.367 1.00 0.00 C ATOM 1347 O ILE A 82 105.367 -1.431 -10.419 1.00 0.00 O ATOM 1348 CB ILE A 82 105.309 1.483 -8.794 1.00 0.00 C ATOM 1349 CG1 ILE A 82 105.505 1.994 -7.359 1.00 0.00 C ATOM 1350 CG2 ILE A 82 103.864 1.021 -8.985 1.00 0.00 C ATOM 1351 CD1 ILE A 82 104.772 3.326 -7.170 1.00 0.00 C ATOM 0 H ILE A 82 107.773 1.809 -8.976 1.00 0.00 H new ATOM 0 HA ILE A 82 106.122 -0.400 -8.216 1.00 0.00 H new ATOM 0 HB ILE A 82 105.521 2.283 -9.503 1.00 0.00 H new ATOM 0 HG12 ILE A 82 105.128 1.259 -6.648 1.00 0.00 H new ATOM 0 HG13 ILE A 82 106.568 2.122 -7.152 1.00 0.00 H new ATOM 0 HG21 ILE A 82 103.188 1.859 -8.814 1.00 0.00 H new ATOM 0 HG22 ILE A 82 103.732 0.650 -10.001 1.00 0.00 H new ATOM 0 HG23 ILE A 82 103.640 0.224 -8.276 1.00 0.00 H new ATOM 0 HD11 ILE A 82 104.917 3.680 -6.149 1.00 0.00 H new ATOM 0 HD12 ILE A 82 105.169 4.062 -7.869 1.00 0.00 H new ATOM 0 HD13 ILE A 82 103.707 3.185 -7.357 1.00 0.00 H new ATOM 1537 N ALA A 95 105.715 3.601 -3.012 1.00 0.00 N ATOM 1538 CA ALA A 95 106.520 4.851 -3.063 1.00 0.00 C ATOM 1539 C ALA A 95 106.598 5.436 -1.656 1.00 0.00 C ATOM 1540 O ALA A 95 107.659 5.764 -1.166 1.00 0.00 O ATOM 1541 CB ALA A 95 105.851 5.856 -4.004 1.00 0.00 C ATOM 0 HA ALA A 95 107.522 4.635 -3.432 1.00 0.00 H new ATOM 0 HB1 ALA A 95 106.443 6.771 -4.040 1.00 0.00 H new ATOM 0 HB2 ALA A 95 105.783 5.428 -5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 95 104.850 6.085 -3.639 1.00 0.00 H new ATOM 1547 N PHE A 96 105.479 5.558 -1.003 1.00 0.00 N ATOM 1548 CA PHE A 96 105.476 6.109 0.384 1.00 0.00 C ATOM 1549 C PHE A 96 106.189 5.142 1.337 1.00 0.00 C ATOM 1550 O PHE A 96 106.978 5.542 2.169 1.00 0.00 O ATOM 1551 CB PHE A 96 104.031 6.307 0.847 1.00 0.00 C ATOM 1552 CG PHE A 96 104.015 6.782 2.281 1.00 0.00 C ATOM 1553 CD1 PHE A 96 104.044 8.151 2.567 1.00 0.00 C ATOM 1554 CD2 PHE A 96 103.967 5.850 3.325 1.00 0.00 C ATOM 1555 CE1 PHE A 96 104.025 8.589 3.896 1.00 0.00 C ATOM 1556 CE2 PHE A 96 103.947 6.288 4.654 1.00 0.00 C ATOM 1557 CZ PHE A 96 103.976 7.658 4.939 1.00 0.00 C ATOM 0 H PHE A 96 104.562 5.300 -1.368 1.00 0.00 H new ATOM 0 HA PHE A 96 106.000 7.065 0.390 1.00 0.00 H new ATOM 0 HB2 PHE A 96 103.531 7.034 0.208 1.00 0.00 H new ATOM 0 HB3 PHE A 96 103.479 5.371 0.758 1.00 0.00 H new ATOM 0 HD1 PHE A 96 104.081 8.870 1.762 1.00 0.00 H new ATOM 0 HD2 PHE A 96 103.945 4.793 3.105 1.00 0.00 H new ATOM 0 HE1 PHE A 96 104.048 9.646 4.116 1.00 0.00 H new ATOM 0 HE2 PHE A 96 103.909 5.569 5.459 1.00 0.00 H new ATOM 0 HZ PHE A 96 103.961 7.996 5.964 1.00 0.00 H new ATOM 1567 N THR A 97 105.904 3.873 1.239 1.00 0.00 N ATOM 1568 CA THR A 97 106.558 2.892 2.151 1.00 0.00 C ATOM 1569 C THR A 97 108.048 2.753 1.816 1.00 0.00 C ATOM 1570 O THR A 97 108.883 2.657 2.691 1.00 0.00 O ATOM 1571 CB THR A 97 105.878 1.528 2.008 1.00 0.00 C ATOM 1572 OG1 THR A 97 104.504 1.649 2.349 1.00 0.00 O ATOM 1573 CG2 THR A 97 106.553 0.518 2.940 1.00 0.00 C ATOM 0 H THR A 97 105.248 3.473 0.568 1.00 0.00 H new ATOM 0 HA THR A 97 106.460 3.251 3.176 1.00 0.00 H new ATOM 0 HB THR A 97 105.968 1.182 0.978 1.00 0.00 H new ATOM 0 HG1 THR A 97 104.066 0.777 2.257 1.00 0.00 H new ATOM 0 HG21 THR A 97 106.068 -0.453 2.837 1.00 0.00 H new ATOM 0 HG22 THR A 97 107.607 0.427 2.676 1.00 0.00 H new ATOM 0 HG23 THR A 97 106.466 0.860 3.971 1.00 0.00 H new ATOM 1581 N LEU A 98 108.398 2.716 0.560 1.00 0.00 N ATOM 1582 CA LEU A 98 109.838 2.563 0.208 1.00 0.00 C ATOM 1583 C LEU A 98 110.635 3.799 0.644 1.00 0.00 C ATOM 1584 O LEU A 98 111.668 3.686 1.271 1.00 0.00 O ATOM 1585 CB LEU A 98 109.995 2.362 -1.304 1.00 0.00 C ATOM 1586 CG LEU A 98 109.459 0.981 -1.720 1.00 0.00 C ATOM 1587 CD1 LEU A 98 109.466 0.881 -3.253 1.00 0.00 C ATOM 1588 CD2 LEU A 98 110.335 -0.143 -1.121 1.00 0.00 C ATOM 0 H LEU A 98 107.757 2.784 -0.231 1.00 0.00 H new ATOM 0 HA LEU A 98 110.225 1.689 0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 98 109.457 3.144 -1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 98 111.045 2.450 -1.582 1.00 0.00 H new ATOM 0 HG LEU A 98 108.442 0.865 -1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 98 109.087 -0.095 -3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 98 108.831 1.662 -3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 98 110.484 1.005 -3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 98 109.941 -1.113 -1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 98 111.358 -0.038 -1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 98 110.324 -0.072 -0.033 1.00 0.00 H new ATOM 1600 N ARG A 99 110.182 4.977 0.305 1.00 0.00 N ATOM 1601 CA ARG A 99 110.946 6.201 0.690 1.00 0.00 C ATOM 1602 C ARG A 99 111.085 6.305 2.214 1.00 0.00 C ATOM 1603 O ARG A 99 112.117 6.700 2.718 1.00 0.00 O ATOM 1604 CB ARG A 99 110.252 7.456 0.136 1.00 0.00 C ATOM 1605 CG ARG A 99 108.934 7.716 0.871 1.00 0.00 C ATOM 1606 CD ARG A 99 108.214 8.895 0.213 1.00 0.00 C ATOM 1607 NE ARG A 99 107.869 8.545 -1.193 1.00 0.00 N ATOM 1608 CZ ARG A 99 107.413 9.463 -2.000 1.00 0.00 C ATOM 1609 NH1 ARG A 99 107.827 10.696 -1.884 1.00 0.00 N ATOM 1610 NH2 ARG A 99 106.544 9.150 -2.921 1.00 0.00 N ATOM 0 H ARG A 99 109.322 5.145 -0.218 1.00 0.00 H new ATOM 0 HA ARG A 99 111.945 6.127 0.260 1.00 0.00 H new ATOM 0 HB2 ARG A 99 110.910 8.318 0.243 1.00 0.00 H new ATOM 0 HB3 ARG A 99 110.061 7.331 -0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 99 108.305 6.827 0.839 1.00 0.00 H new ATOM 0 HG3 ARG A 99 109.127 7.933 1.922 1.00 0.00 H new ATOM 0 HD2 ARG A 99 107.310 9.139 0.770 1.00 0.00 H new ATOM 0 HD3 ARG A 99 108.850 9.780 0.233 1.00 0.00 H new ATOM 0 HE ARG A 99 107.989 7.588 -1.525 1.00 0.00 H new ATOM 0 HH11 ARG A 99 108.506 10.940 -1.163 1.00 0.00 H new ATOM 0 HH12 ARG A 99 107.471 11.415 -2.514 1.00 0.00 H new ATOM 0 HH21 ARG A 99 106.220 8.187 -3.011 1.00 0.00 H new ATOM 0 HH22 ARG A 99 106.188 9.868 -3.552 1.00 0.00 H new ATOM 1624 N THR A 100 110.060 5.981 2.955 1.00 0.00 N ATOM 1625 CA THR A 100 110.163 6.099 4.441 1.00 0.00 C ATOM 1626 C THR A 100 110.995 4.946 5.029 1.00 0.00 C ATOM 1627 O THR A 100 111.813 5.155 5.903 1.00 0.00 O ATOM 1628 CB THR A 100 108.749 6.122 5.058 1.00 0.00 C ATOM 1629 OG1 THR A 100 108.797 6.800 6.306 1.00 0.00 O ATOM 1630 CG2 THR A 100 108.219 4.702 5.277 1.00 0.00 C ATOM 0 H THR A 100 109.164 5.643 2.602 1.00 0.00 H new ATOM 0 HA THR A 100 110.673 7.031 4.684 1.00 0.00 H new ATOM 0 HB THR A 100 108.079 6.637 4.369 1.00 0.00 H new ATOM 0 HG1 THR A 100 107.901 6.819 6.702 1.00 0.00 H new ATOM 0 HG21 THR A 100 107.221 4.749 5.713 1.00 0.00 H new ATOM 0 HG22 THR A 100 108.173 4.179 4.322 1.00 0.00 H new ATOM 0 HG23 THR A 100 108.885 4.165 5.953 1.00 0.00 H new ATOM 1638 N GLN A 101 110.795 3.734 4.574 1.00 0.00 N ATOM 1639 CA GLN A 101 111.582 2.600 5.142 1.00 0.00 C ATOM 1640 C GLN A 101 113.037 2.722 4.697 1.00 0.00 C ATOM 1641 O GLN A 101 113.958 2.526 5.470 1.00 0.00 O ATOM 1642 CB GLN A 101 111.006 1.276 4.638 1.00 0.00 C ATOM 1643 CG GLN A 101 109.631 1.039 5.266 1.00 0.00 C ATOM 1644 CD GLN A 101 109.793 0.783 6.765 1.00 0.00 C ATOM 1645 OE1 GLN A 101 109.123 1.394 7.573 1.00 0.00 O ATOM 1646 NE2 GLN A 101 110.666 -0.096 7.172 1.00 0.00 N ATOM 0 H GLN A 101 110.129 3.484 3.843 1.00 0.00 H new ATOM 0 HA GLN A 101 111.528 2.628 6.230 1.00 0.00 H new ATOM 0 HB2 GLN A 101 110.922 1.295 3.551 1.00 0.00 H new ATOM 0 HB3 GLN A 101 111.678 0.456 4.891 1.00 0.00 H new ATOM 0 HG2 GLN A 101 108.990 1.905 5.101 1.00 0.00 H new ATOM 0 HG3 GLN A 101 109.144 0.187 4.791 1.00 0.00 H new ATOM 0 HE21 GLN A 101 111.228 -0.609 6.493 1.00 0.00 H new ATOM 0 HE22 GLN A 101 110.787 -0.271 8.170 1.00 0.00 H new ATOM 1655 N TYR A 102 113.249 3.063 3.460 1.00 0.00 N ATOM 1656 CA TYR A 102 114.635 3.219 2.960 1.00 0.00 C ATOM 1657 C TYR A 102 115.303 4.310 3.797 1.00 0.00 C ATOM 1658 O TYR A 102 116.425 4.184 4.245 1.00 0.00 O ATOM 1659 CB TYR A 102 114.583 3.648 1.491 1.00 0.00 C ATOM 1660 CG TYR A 102 115.949 3.534 0.855 1.00 0.00 C ATOM 1661 CD1 TYR A 102 116.915 4.519 1.080 1.00 0.00 C ATOM 1662 CD2 TYR A 102 116.242 2.444 0.026 1.00 0.00 C ATOM 1663 CE1 TYR A 102 118.173 4.410 0.475 1.00 0.00 C ATOM 1664 CE2 TYR A 102 117.497 2.340 -0.579 1.00 0.00 C ATOM 1665 CZ TYR A 102 118.462 3.325 -0.355 1.00 0.00 C ATOM 1666 OH TYR A 102 119.699 3.230 -0.952 1.00 0.00 O ATOM 0 H TYR A 102 112.517 3.241 2.772 1.00 0.00 H new ATOM 0 HA TYR A 102 115.194 2.286 3.038 1.00 0.00 H new ATOM 0 HB2 TYR A 102 113.871 3.025 0.950 1.00 0.00 H new ATOM 0 HB3 TYR A 102 114.227 4.676 1.419 1.00 0.00 H new ATOM 0 HD1 TYR A 102 116.692 5.361 1.718 1.00 0.00 H new ATOM 0 HD2 TYR A 102 115.496 1.682 -0.146 1.00 0.00 H new ATOM 0 HE1 TYR A 102 118.922 5.168 0.651 1.00 0.00 H new ATOM 0 HE2 TYR A 102 117.721 1.499 -1.219 1.00 0.00 H new ATOM 0 HH TYR A 102 119.642 2.639 -1.731 1.00 0.00 H new ATOM 1676 N MET A 103 114.592 5.379 4.016 1.00 0.00 N ATOM 1677 CA MET A 103 115.125 6.506 4.827 1.00 0.00 C ATOM 1678 C MET A 103 115.376 6.045 6.265 1.00 0.00 C ATOM 1679 O MET A 103 116.261 6.539 6.938 1.00 0.00 O ATOM 1680 CB MET A 103 114.098 7.643 4.828 1.00 0.00 C ATOM 1681 CG MET A 103 114.689 8.884 5.500 1.00 0.00 C ATOM 1682 SD MET A 103 113.392 10.140 5.676 1.00 0.00 S ATOM 1683 CE MET A 103 114.377 11.593 5.226 1.00 0.00 C ATOM 0 H MET A 103 113.647 5.521 3.660 1.00 0.00 H new ATOM 0 HA MET A 103 116.066 6.851 4.398 1.00 0.00 H new ATOM 0 HB2 MET A 103 113.804 7.879 3.805 1.00 0.00 H new ATOM 0 HB3 MET A 103 113.197 7.329 5.355 1.00 0.00 H new ATOM 0 HG2 MET A 103 115.096 8.624 6.477 1.00 0.00 H new ATOM 0 HG3 MET A 103 115.514 9.276 4.905 1.00 0.00 H new ATOM 0 HE1 MET A 103 114.062 12.446 5.826 1.00 0.00 H new ATOM 0 HE2 MET A 103 115.432 11.389 5.411 1.00 0.00 H new ATOM 0 HE3 MET A 103 114.231 11.819 4.170 1.00 0.00 H new ATOM 1693 N LYS A 104 114.581 5.137 6.756 1.00 0.00 N ATOM 1694 CA LYS A 104 114.748 4.686 8.168 1.00 0.00 C ATOM 1695 C LYS A 104 116.145 4.080 8.402 1.00 0.00 C ATOM 1696 O LYS A 104 116.734 4.300 9.442 1.00 0.00 O ATOM 1697 CB LYS A 104 113.654 3.652 8.504 1.00 0.00 C ATOM 1698 CG LYS A 104 113.375 3.641 10.018 1.00 0.00 C ATOM 1699 CD LYS A 104 112.428 4.806 10.405 1.00 0.00 C ATOM 1700 CE LYS A 104 110.977 4.311 10.477 1.00 0.00 C ATOM 1701 NZ LYS A 104 110.849 3.308 11.571 1.00 0.00 N ATOM 0 H LYS A 104 113.823 4.687 6.243 1.00 0.00 H new ATOM 0 HA LYS A 104 114.651 5.551 8.824 1.00 0.00 H new ATOM 0 HB2 LYS A 104 112.740 3.891 7.961 1.00 0.00 H new ATOM 0 HB3 LYS A 104 113.969 2.661 8.178 1.00 0.00 H new ATOM 0 HG2 LYS A 104 112.926 2.690 10.304 1.00 0.00 H new ATOM 0 HG3 LYS A 104 114.313 3.729 10.567 1.00 0.00 H new ATOM 0 HD2 LYS A 104 112.726 5.221 11.368 1.00 0.00 H new ATOM 0 HD3 LYS A 104 112.510 5.609 9.672 1.00 0.00 H new ATOM 0 HE2 LYS A 104 110.304 5.149 10.657 1.00 0.00 H new ATOM 0 HE3 LYS A 104 110.685 3.867 9.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 109.904 3.379 11.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 110.982 2.352 11.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 111.572 3.491 12.296 1.00 0.00 H new ATOM 1715 N TYR A 105 116.687 3.306 7.479 1.00 0.00 N ATOM 1716 CA TYR A 105 118.049 2.700 7.732 1.00 0.00 C ATOM 1717 C TYR A 105 118.914 2.617 6.466 1.00 0.00 C ATOM 1718 O TYR A 105 120.044 2.175 6.541 1.00 0.00 O ATOM 1719 CB TYR A 105 117.878 1.278 8.269 1.00 0.00 C ATOM 1720 CG TYR A 105 117.178 1.311 9.602 1.00 0.00 C ATOM 1721 CD1 TYR A 105 117.894 1.619 10.766 1.00 0.00 C ATOM 1722 CD2 TYR A 105 115.810 1.033 9.673 1.00 0.00 C ATOM 1723 CE1 TYR A 105 117.236 1.651 12.001 1.00 0.00 C ATOM 1724 CE2 TYR A 105 115.153 1.066 10.904 1.00 0.00 C ATOM 1725 CZ TYR A 105 115.864 1.376 12.071 1.00 0.00 C ATOM 1726 OH TYR A 105 115.215 1.412 13.288 1.00 0.00 O ATOM 0 H TYR A 105 116.260 3.071 6.583 1.00 0.00 H new ATOM 0 HA TYR A 105 118.551 3.351 8.448 1.00 0.00 H new ATOM 0 HB2 TYR A 105 117.303 0.680 7.562 1.00 0.00 H new ATOM 0 HB3 TYR A 105 118.852 0.800 8.372 1.00 0.00 H new ATOM 0 HD1 TYR A 105 118.951 1.831 10.711 1.00 0.00 H new ATOM 0 HD2 TYR A 105 115.261 0.792 8.775 1.00 0.00 H new ATOM 0 HE1 TYR A 105 117.786 1.888 12.900 1.00 0.00 H new ATOM 0 HE2 TYR A 105 114.096 0.852 10.957 1.00 0.00 H new ATOM 0 HH TYR A 105 114.246 1.438 13.142 1.00 0.00 H new ATOM 1736 N LEU A 106 118.419 2.990 5.308 1.00 0.00 N ATOM 1737 CA LEU A 106 119.259 2.866 4.060 1.00 0.00 C ATOM 1738 C LEU A 106 119.689 4.235 3.512 1.00 0.00 C ATOM 1739 O LEU A 106 120.553 4.306 2.661 1.00 0.00 O ATOM 1740 CB LEU A 106 118.450 2.117 2.991 1.00 0.00 C ATOM 1741 CG LEU A 106 118.395 0.609 3.329 1.00 0.00 C ATOM 1742 CD1 LEU A 106 117.163 -0.029 2.672 1.00 0.00 C ATOM 1743 CD2 LEU A 106 119.658 -0.101 2.810 1.00 0.00 C ATOM 0 H LEU A 106 117.483 3.371 5.168 1.00 0.00 H new ATOM 0 HA LEU A 106 120.166 2.318 4.315 1.00 0.00 H new ATOM 0 HB2 LEU A 106 117.440 2.523 2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 106 118.905 2.262 2.011 1.00 0.00 H new ATOM 0 HG LEU A 106 118.336 0.501 4.412 1.00 0.00 H new ATOM 0 HD11 LEU A 106 117.131 -1.091 2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 106 116.260 0.456 3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 106 117.222 0.095 1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 106 119.606 -1.162 3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 106 119.724 0.019 1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 106 120.540 0.336 3.278 1.00 0.00 H new ATOM 1755 N TYR A 107 119.123 5.325 3.966 1.00 0.00 N ATOM 1756 CA TYR A 107 119.568 6.641 3.408 1.00 0.00 C ATOM 1757 C TYR A 107 120.969 7.006 3.932 1.00 0.00 C ATOM 1758 O TYR A 107 121.767 7.545 3.191 1.00 0.00 O ATOM 1759 CB TYR A 107 118.549 7.760 3.711 1.00 0.00 C ATOM 1760 CG TYR A 107 119.193 9.112 3.491 1.00 0.00 C ATOM 1761 CD1 TYR A 107 119.395 9.581 2.189 1.00 0.00 C ATOM 1762 CD2 TYR A 107 119.595 9.885 4.586 1.00 0.00 C ATOM 1763 CE1 TYR A 107 119.999 10.827 1.981 1.00 0.00 C ATOM 1764 CE2 TYR A 107 120.199 11.131 4.377 1.00 0.00 C ATOM 1765 CZ TYR A 107 120.400 11.602 3.074 1.00 0.00 C ATOM 1766 OH TYR A 107 120.996 12.830 2.869 1.00 0.00 O ATOM 0 H TYR A 107 118.393 5.365 4.678 1.00 0.00 H new ATOM 0 HA TYR A 107 119.625 6.542 2.324 1.00 0.00 H new ATOM 0 HB2 TYR A 107 117.676 7.654 3.067 1.00 0.00 H new ATOM 0 HB3 TYR A 107 118.199 7.677 4.740 1.00 0.00 H new ATOM 0 HD1 TYR A 107 119.085 8.983 1.345 1.00 0.00 H new ATOM 0 HD2 TYR A 107 119.440 9.521 5.591 1.00 0.00 H new ATOM 0 HE1 TYR A 107 120.155 11.190 0.976 1.00 0.00 H new ATOM 0 HE2 TYR A 107 120.510 11.729 5.221 1.00 0.00 H new ATOM 0 HH TYR A 107 120.850 13.114 1.942 1.00 0.00 H new ATOM 1776 N PRO A 108 121.299 6.727 5.175 1.00 0.00 N ATOM 1777 CA PRO A 108 122.653 7.071 5.676 1.00 0.00 C ATOM 1778 C PRO A 108 123.701 6.133 5.067 1.00 0.00 C ATOM 1779 O PRO A 108 124.809 6.524 4.761 1.00 0.00 O ATOM 1780 CB PRO A 108 122.513 6.867 7.200 1.00 0.00 C ATOM 1781 CG PRO A 108 121.070 6.404 7.494 1.00 0.00 C ATOM 1782 CD PRO A 108 120.394 6.065 6.155 1.00 0.00 C ATOM 0 HA PRO A 108 122.982 8.077 5.416 1.00 0.00 H new ATOM 0 HB2 PRO A 108 123.229 6.125 7.552 1.00 0.00 H new ATOM 0 HB3 PRO A 108 122.730 7.795 7.729 1.00 0.00 H new ATOM 0 HG2 PRO A 108 121.076 5.532 8.149 1.00 0.00 H new ATOM 0 HG3 PRO A 108 120.517 7.188 8.012 1.00 0.00 H new ATOM 0 HD2 PRO A 108 120.331 4.989 5.990 1.00 0.00 H new ATOM 0 HD3 PRO A 108 119.378 6.456 6.101 1.00 0.00 H new ATOM 1790 N TYR A 109 123.336 4.893 4.886 1.00 0.00 N ATOM 1791 CA TYR A 109 124.276 3.908 4.291 1.00 0.00 C ATOM 1792 C TYR A 109 124.570 4.311 2.842 1.00 0.00 C ATOM 1793 O TYR A 109 125.707 4.359 2.415 1.00 0.00 O ATOM 1794 CB TYR A 109 123.628 2.522 4.326 1.00 0.00 C ATOM 1795 CG TYR A 109 124.655 1.475 3.976 1.00 0.00 C ATOM 1796 CD1 TYR A 109 125.731 1.250 4.841 1.00 0.00 C ATOM 1797 CD2 TYR A 109 124.533 0.725 2.799 1.00 0.00 C ATOM 1798 CE1 TYR A 109 126.688 0.280 4.530 1.00 0.00 C ATOM 1799 CE2 TYR A 109 125.489 -0.246 2.489 1.00 0.00 C ATOM 1800 CZ TYR A 109 126.569 -0.469 3.353 1.00 0.00 C ATOM 1801 OH TYR A 109 127.513 -1.427 3.048 1.00 0.00 O ATOM 0 H TYR A 109 122.418 4.520 5.128 1.00 0.00 H new ATOM 0 HA TYR A 109 125.209 3.886 4.855 1.00 0.00 H new ATOM 0 HB2 TYR A 109 123.217 2.326 5.317 1.00 0.00 H new ATOM 0 HB3 TYR A 109 122.797 2.480 3.622 1.00 0.00 H new ATOM 0 HD1 TYR A 109 125.822 1.826 5.750 1.00 0.00 H new ATOM 0 HD2 TYR A 109 123.701 0.897 2.132 1.00 0.00 H new ATOM 0 HE1 TYR A 109 127.519 0.108 5.198 1.00 0.00 H new ATOM 0 HE2 TYR A 109 125.395 -0.825 1.582 1.00 0.00 H new ATOM 0 HH TYR A 109 127.281 -1.856 2.198 1.00 0.00 H new ATOM 1811 N GLU A 110 123.546 4.613 2.089 1.00 0.00 N ATOM 1812 CA GLU A 110 123.739 5.026 0.673 1.00 0.00 C ATOM 1813 C GLU A 110 124.683 6.230 0.629 1.00 0.00 C ATOM 1814 O GLU A 110 125.563 6.318 -0.205 1.00 0.00 O ATOM 1815 CB GLU A 110 122.375 5.420 0.100 1.00 0.00 C ATOM 1816 CG GLU A 110 122.508 5.795 -1.375 1.00 0.00 C ATOM 1817 CD GLU A 110 121.113 6.024 -1.960 1.00 0.00 C ATOM 1818 OE1 GLU A 110 120.180 6.148 -1.183 1.00 0.00 O ATOM 1819 OE2 GLU A 110 120.997 6.053 -3.174 1.00 0.00 O ATOM 0 H GLU A 110 122.575 4.590 2.400 1.00 0.00 H new ATOM 0 HA GLU A 110 124.168 4.211 0.090 1.00 0.00 H new ATOM 0 HB2 GLU A 110 121.674 4.593 0.210 1.00 0.00 H new ATOM 0 HB3 GLU A 110 121.966 6.261 0.661 1.00 0.00 H new ATOM 0 HG2 GLU A 110 123.113 6.695 -1.481 1.00 0.00 H new ATOM 0 HG3 GLU A 110 123.019 5.002 -1.920 1.00 0.00 H new ATOM 1826 N CYS A 111 124.501 7.158 1.528 1.00 0.00 N ATOM 1827 CA CYS A 111 125.374 8.365 1.558 1.00 0.00 C ATOM 1828 C CYS A 111 126.823 7.974 1.874 1.00 0.00 C ATOM 1829 O CYS A 111 127.756 8.525 1.335 1.00 0.00 O ATOM 1830 CB CYS A 111 124.866 9.333 2.631 1.00 0.00 C ATOM 1831 SG CYS A 111 123.293 10.051 2.096 1.00 0.00 S ATOM 0 H CYS A 111 123.779 7.131 2.248 1.00 0.00 H new ATOM 0 HA CYS A 111 125.344 8.843 0.579 1.00 0.00 H new ATOM 0 HB2 CYS A 111 124.736 8.808 3.578 1.00 0.00 H new ATOM 0 HB3 CYS A 111 125.599 10.121 2.802 1.00 0.00 H new ATOM 0 HG CYS A 111 122.322 9.240 2.395 1.00 0.00 H new ATOM 1837 N GLU A 112 127.025 7.052 2.768 1.00 0.00 N ATOM 1838 CA GLU A 112 128.421 6.674 3.127 1.00 0.00 C ATOM 1839 C GLU A 112 129.137 6.031 1.932 1.00 0.00 C ATOM 1840 O GLU A 112 130.307 6.271 1.709 1.00 0.00 O ATOM 1841 CB GLU A 112 128.387 5.684 4.297 1.00 0.00 C ATOM 1842 CG GLU A 112 129.811 5.419 4.803 1.00 0.00 C ATOM 1843 CD GLU A 112 130.533 4.442 3.868 1.00 0.00 C ATOM 1844 OE1 GLU A 112 129.858 3.740 3.133 1.00 0.00 O ATOM 1845 OE2 GLU A 112 131.753 4.413 3.904 1.00 0.00 O ATOM 0 H GLU A 112 126.292 6.545 3.264 1.00 0.00 H new ATOM 0 HA GLU A 112 128.967 7.574 3.411 1.00 0.00 H new ATOM 0 HB2 GLU A 112 127.774 6.084 5.105 1.00 0.00 H new ATOM 0 HB3 GLU A 112 127.925 4.749 3.979 1.00 0.00 H new ATOM 0 HG2 GLU A 112 130.365 6.356 4.859 1.00 0.00 H new ATOM 0 HG3 GLU A 112 129.775 5.009 5.812 1.00 0.00 H new ATOM 1852 N LYS A 113 128.471 5.202 1.173 1.00 0.00 N ATOM 1853 CA LYS A 113 129.165 4.550 0.023 1.00 0.00 C ATOM 1854 C LYS A 113 129.483 5.554 -1.100 1.00 0.00 C ATOM 1855 O LYS A 113 130.543 5.492 -1.691 1.00 0.00 O ATOM 1856 CB LYS A 113 128.294 3.423 -0.535 1.00 0.00 C ATOM 1857 CG LYS A 113 128.248 2.270 0.472 1.00 0.00 C ATOM 1858 CD LYS A 113 127.483 1.082 -0.128 1.00 0.00 C ATOM 1859 CE LYS A 113 126.025 1.467 -0.408 1.00 0.00 C ATOM 1860 NZ LYS A 113 125.508 2.323 0.695 1.00 0.00 N ATOM 0 H LYS A 113 127.490 4.950 1.296 1.00 0.00 H new ATOM 0 HA LYS A 113 130.109 4.149 0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 113 127.286 3.790 -0.731 1.00 0.00 H new ATOM 0 HB3 LYS A 113 128.697 3.074 -1.486 1.00 0.00 H new ATOM 0 HG2 LYS A 113 129.261 1.966 0.736 1.00 0.00 H new ATOM 0 HG3 LYS A 113 127.764 2.598 1.392 1.00 0.00 H new ATOM 0 HD2 LYS A 113 127.964 0.761 -1.052 1.00 0.00 H new ATOM 0 HD3 LYS A 113 127.516 0.236 0.559 1.00 0.00 H new ATOM 0 HE2 LYS A 113 125.956 1.999 -1.357 1.00 0.00 H new ATOM 0 HE3 LYS A 113 125.414 0.569 -0.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 124.483 2.455 0.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 125.698 1.864 1.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 125.981 3.249 0.667 1.00 0.00 H new ATOM 1874 N LYS A 114 128.584 6.465 -1.421 1.00 0.00 N ATOM 1875 CA LYS A 114 128.867 7.444 -2.534 1.00 0.00 C ATOM 1876 C LYS A 114 128.504 8.881 -2.127 1.00 0.00 C ATOM 1877 O LYS A 114 128.749 9.812 -2.868 1.00 0.00 O ATOM 1878 CB LYS A 114 128.054 7.049 -3.781 1.00 0.00 C ATOM 1879 CG LYS A 114 128.657 5.790 -4.456 1.00 0.00 C ATOM 1880 CD LYS A 114 128.023 4.505 -3.871 1.00 0.00 C ATOM 1881 CE LYS A 114 126.770 4.114 -4.666 1.00 0.00 C ATOM 1882 NZ LYS A 114 126.289 2.781 -4.204 1.00 0.00 N ATOM 0 H LYS A 114 127.677 6.573 -0.967 1.00 0.00 H new ATOM 0 HA LYS A 114 129.935 7.411 -2.750 1.00 0.00 H new ATOM 0 HB2 LYS A 114 127.019 6.856 -3.499 1.00 0.00 H new ATOM 0 HB3 LYS A 114 128.042 7.877 -4.490 1.00 0.00 H new ATOM 0 HG2 LYS A 114 128.486 5.830 -5.532 1.00 0.00 H new ATOM 0 HG3 LYS A 114 129.736 5.771 -4.305 1.00 0.00 H new ATOM 0 HD2 LYS A 114 128.747 3.691 -3.898 1.00 0.00 H new ATOM 0 HD3 LYS A 114 127.762 4.665 -2.825 1.00 0.00 H new ATOM 0 HE2 LYS A 114 125.990 4.863 -4.528 1.00 0.00 H new ATOM 0 HE3 LYS A 114 126.997 4.082 -5.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 126.167 2.153 -5.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 126.985 2.368 -3.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 125.378 2.891 -3.714 1.00 0.00 H new ATOM 1896 N ASN A 115 127.927 9.087 -0.976 1.00 0.00 N ATOM 1897 CA ASN A 115 127.570 10.483 -0.574 1.00 0.00 C ATOM 1898 C ASN A 115 126.753 11.137 -1.689 1.00 0.00 C ATOM 1899 O ASN A 115 127.107 12.180 -2.205 1.00 0.00 O ATOM 1900 CB ASN A 115 128.844 11.295 -0.334 1.00 0.00 C ATOM 1901 CG ASN A 115 128.478 12.619 0.340 1.00 0.00 C ATOM 1902 OD1 ASN A 115 127.316 12.908 0.545 1.00 0.00 O ATOM 1903 ND2 ASN A 115 129.426 13.442 0.697 1.00 0.00 N ATOM 0 H ASN A 115 127.688 8.361 -0.301 1.00 0.00 H new ATOM 0 HA ASN A 115 126.983 10.455 0.344 1.00 0.00 H new ATOM 0 HB2 ASN A 115 129.535 10.733 0.294 1.00 0.00 H new ATOM 0 HB3 ASN A 115 129.353 11.483 -1.279 1.00 0.00 H new ATOM 0 HD21 ASN A 115 129.191 14.326 1.147 1.00 0.00 H new ATOM 0 HD22 ASN A 115 130.402 13.201 0.526 1.00 0.00 H new ATOM 1910 N LEU A 116 125.668 10.524 -2.074 1.00 0.00 N ATOM 1911 CA LEU A 116 124.829 11.096 -3.165 1.00 0.00 C ATOM 1912 C LEU A 116 124.329 12.489 -2.769 1.00 0.00 C ATOM 1913 O LEU A 116 124.261 13.387 -3.586 1.00 0.00 O ATOM 1914 CB LEU A 116 123.607 10.199 -3.390 1.00 0.00 C ATOM 1915 CG LEU A 116 124.038 8.783 -3.788 1.00 0.00 C ATOM 1916 CD1 LEU A 116 122.786 7.921 -3.987 1.00 0.00 C ATOM 1917 CD2 LEU A 116 124.855 8.819 -5.092 1.00 0.00 C ATOM 0 H LEU A 116 125.325 9.649 -1.679 1.00 0.00 H new ATOM 0 HA LEU A 116 125.431 11.160 -4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 116 123.007 10.159 -2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 116 122.976 10.625 -4.170 1.00 0.00 H new ATOM 0 HG LEU A 116 124.661 8.360 -3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 116 123.081 6.911 -4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 116 122.217 7.886 -3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 116 122.168 8.353 -4.774 1.00 0.00 H new ATOM 0 HD21 LEU A 116 125.154 7.806 -5.362 1.00 0.00 H new ATOM 0 HD22 LEU A 116 124.247 9.243 -5.891 1.00 0.00 H new ATOM 0 HD23 LEU A 116 125.744 9.433 -4.948 1.00 0.00 H new ATOM 1929 N SER A 117 123.951 12.673 -1.532 1.00 0.00 N ATOM 1930 CA SER A 117 123.425 14.002 -1.109 1.00 0.00 C ATOM 1931 C SER A 117 123.477 14.126 0.422 1.00 0.00 C ATOM 1932 O SER A 117 124.076 13.315 1.098 1.00 0.00 O ATOM 1933 CB SER A 117 121.976 14.135 -1.612 1.00 0.00 C ATOM 1934 OG SER A 117 121.545 12.873 -2.104 1.00 0.00 O ATOM 0 H SER A 117 123.984 11.964 -0.800 1.00 0.00 H new ATOM 0 HA SER A 117 124.035 14.799 -1.533 1.00 0.00 H new ATOM 0 HB2 SER A 117 121.325 14.467 -0.804 1.00 0.00 H new ATOM 0 HB3 SER A 117 121.917 14.887 -2.399 1.00 0.00 H new ATOM 0 HG SER A 117 121.228 12.972 -3.026 1.00 0.00 H new ATOM 1940 N THR A 118 122.848 15.150 0.967 1.00 0.00 N ATOM 1941 CA THR A 118 122.852 15.349 2.455 1.00 0.00 C ATOM 1942 C THR A 118 121.398 15.461 2.941 1.00 0.00 C ATOM 1943 O THR A 118 120.537 15.881 2.201 1.00 0.00 O ATOM 1944 CB THR A 118 123.597 16.654 2.767 1.00 0.00 C ATOM 1945 OG1 THR A 118 123.196 17.655 1.843 1.00 0.00 O ATOM 1946 CG2 THR A 118 125.106 16.428 2.651 1.00 0.00 C ATOM 0 H THR A 118 122.332 15.856 0.442 1.00 0.00 H new ATOM 0 HA THR A 118 123.342 14.513 2.954 1.00 0.00 H new ATOM 0 HB THR A 118 123.359 16.974 3.781 1.00 0.00 H new ATOM 0 HG1 THR A 118 123.669 18.491 2.040 1.00 0.00 H new ATOM 0 HG21 THR A 118 125.631 17.357 2.873 1.00 0.00 H new ATOM 0 HG22 THR A 118 125.414 15.659 3.359 1.00 0.00 H new ATOM 0 HG23 THR A 118 125.349 16.107 1.638 1.00 0.00 H new ATOM 1954 N PRO A 119 121.099 15.101 4.166 1.00 0.00 N ATOM 1955 CA PRO A 119 119.698 15.211 4.647 1.00 0.00 C ATOM 1956 C PRO A 119 119.121 16.604 4.349 1.00 0.00 C ATOM 1957 O PRO A 119 117.923 16.805 4.330 1.00 0.00 O ATOM 1958 CB PRO A 119 119.840 14.946 6.163 1.00 0.00 C ATOM 1959 CG PRO A 119 121.330 14.686 6.475 1.00 0.00 C ATOM 1960 CD PRO A 119 122.093 14.579 5.143 1.00 0.00 C ATOM 0 HA PRO A 119 119.008 14.520 4.163 1.00 0.00 H new ATOM 0 HB2 PRO A 119 119.477 15.801 6.733 1.00 0.00 H new ATOM 0 HB3 PRO A 119 119.236 14.088 6.456 1.00 0.00 H new ATOM 0 HG2 PRO A 119 121.737 15.495 7.082 1.00 0.00 H new ATOM 0 HG3 PRO A 119 121.442 13.768 7.051 1.00 0.00 H new ATOM 0 HD2 PRO A 119 123.007 15.172 5.149 1.00 0.00 H new ATOM 0 HD3 PRO A 119 122.381 13.552 4.921 1.00 0.00 H new ATOM 1968 N ALA A 120 119.980 17.558 4.117 1.00 0.00 N ATOM 1969 CA ALA A 120 119.519 18.945 3.818 1.00 0.00 C ATOM 1970 C ALA A 120 118.833 19.003 2.452 1.00 0.00 C ATOM 1971 O ALA A 120 117.679 19.375 2.327 1.00 0.00 O ATOM 1972 CB ALA A 120 120.733 19.867 3.777 1.00 0.00 C ATOM 0 H ALA A 120 120.993 17.435 4.122 1.00 0.00 H new ATOM 0 HA ALA A 120 118.814 19.253 4.590 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.410 20.885 3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 120 121.239 19.846 4.742 1.00 0.00 H new ATOM 0 HB3 ALA A 120 121.420 19.530 3.000 1.00 0.00 H new ATOM 1978 N GLU A 121 119.552 18.656 1.422 1.00 0.00 N ATOM 1979 CA GLU A 121 118.975 18.709 0.057 1.00 0.00 C ATOM 1980 C GLU A 121 117.909 17.622 -0.085 1.00 0.00 C ATOM 1981 O GLU A 121 116.986 17.742 -0.865 1.00 0.00 O ATOM 1982 CB GLU A 121 120.104 18.514 -0.964 1.00 0.00 C ATOM 1983 CG GLU A 121 120.614 17.074 -0.915 1.00 0.00 C ATOM 1984 CD GLU A 121 119.715 16.185 -1.779 1.00 0.00 C ATOM 1985 OE1 GLU A 121 119.587 16.480 -2.956 1.00 0.00 O ATOM 1986 OE2 GLU A 121 119.167 15.234 -1.248 1.00 0.00 O ATOM 0 H GLU A 121 120.520 18.337 1.471 1.00 0.00 H new ATOM 0 HA GLU A 121 118.502 19.675 -0.122 1.00 0.00 H new ATOM 0 HB2 GLU A 121 119.743 18.746 -1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 121 120.920 19.204 -0.751 1.00 0.00 H new ATOM 0 HG2 GLU A 121 121.642 17.028 -1.274 1.00 0.00 H new ATOM 0 HG3 GLU A 121 120.620 16.714 0.114 1.00 0.00 H new ATOM 1993 N LEU A 122 118.011 16.572 0.684 1.00 0.00 N ATOM 1994 CA LEU A 122 116.981 15.499 0.610 1.00 0.00 C ATOM 1995 C LEU A 122 115.631 16.113 0.960 1.00 0.00 C ATOM 1996 O LEU A 122 114.629 15.843 0.330 1.00 0.00 O ATOM 1997 CB LEU A 122 117.329 14.390 1.606 1.00 0.00 C ATOM 1998 CG LEU A 122 116.184 13.368 1.703 1.00 0.00 C ATOM 1999 CD1 LEU A 122 115.774 12.880 0.308 1.00 0.00 C ATOM 2000 CD2 LEU A 122 116.654 12.172 2.538 1.00 0.00 C ATOM 0 H LEU A 122 118.760 16.412 1.357 1.00 0.00 H new ATOM 0 HA LEU A 122 116.945 15.070 -0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 122 118.245 13.889 1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 122 117.521 14.823 2.588 1.00 0.00 H new ATOM 0 HG LEU A 122 115.323 13.844 2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 122 114.963 12.158 0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 122 115.440 13.728 -0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 122 116.628 12.407 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 122 115.849 11.441 2.613 1.00 0.00 H new ATOM 0 HD22 LEU A 122 117.518 11.712 2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 122 116.930 12.511 3.536 1.00 0.00 H new ATOM 2012 N GLN A 123 115.602 16.961 1.951 1.00 0.00 N ATOM 2013 CA GLN A 123 114.321 17.610 2.320 1.00 0.00 C ATOM 2014 C GLN A 123 113.831 18.391 1.106 1.00 0.00 C ATOM 2015 O GLN A 123 112.661 18.389 0.781 1.00 0.00 O ATOM 2016 CB GLN A 123 114.554 18.565 3.499 1.00 0.00 C ATOM 2017 CG GLN A 123 113.235 19.226 3.914 1.00 0.00 C ATOM 2018 CD GLN A 123 112.245 18.155 4.374 1.00 0.00 C ATOM 2019 OE1 GLN A 123 112.507 17.431 5.313 1.00 0.00 O ATOM 2020 NE2 GLN A 123 111.109 18.022 3.746 1.00 0.00 N ATOM 0 H GLN A 123 116.408 17.229 2.516 1.00 0.00 H new ATOM 0 HA GLN A 123 113.580 16.867 2.616 1.00 0.00 H new ATOM 0 HB2 GLN A 123 114.976 18.018 4.342 1.00 0.00 H new ATOM 0 HB3 GLN A 123 115.280 19.329 3.220 1.00 0.00 H new ATOM 0 HG2 GLN A 123 113.412 19.941 4.718 1.00 0.00 H new ATOM 0 HG3 GLN A 123 112.818 19.785 3.077 1.00 0.00 H new ATOM 0 HE21 GLN A 123 110.888 18.630 2.957 1.00 0.00 H new ATOM 0 HE22 GLN A 123 110.442 17.310 4.044 1.00 0.00 H new ATOM 2029 N ALA A 124 114.729 19.034 0.411 1.00 0.00 N ATOM 2030 CA ALA A 124 114.320 19.782 -0.805 1.00 0.00 C ATOM 2031 C ALA A 124 113.700 18.789 -1.789 1.00 0.00 C ATOM 2032 O ALA A 124 112.727 19.082 -2.457 1.00 0.00 O ATOM 2033 CB ALA A 124 115.542 20.449 -1.444 1.00 0.00 C ATOM 0 H ALA A 124 115.724 19.072 0.634 1.00 0.00 H new ATOM 0 HA ALA A 124 113.599 20.557 -0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 124 115.234 20.996 -2.335 1.00 0.00 H new ATOM 0 HB2 ALA A 124 115.993 21.140 -0.732 1.00 0.00 H new ATOM 0 HB3 ALA A 124 116.270 19.686 -1.720 1.00 0.00 H new ATOM 2039 N ALA A 125 114.260 17.610 -1.880 1.00 0.00 N ATOM 2040 CA ALA A 125 113.709 16.589 -2.816 1.00 0.00 C ATOM 2041 C ALA A 125 112.332 16.129 -2.324 1.00 0.00 C ATOM 2042 O ALA A 125 111.413 15.956 -3.102 1.00 0.00 O ATOM 2043 CB ALA A 125 114.660 15.387 -2.882 1.00 0.00 C ATOM 0 H ALA A 125 115.076 17.312 -1.345 1.00 0.00 H new ATOM 0 HA ALA A 125 113.609 17.026 -3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 125 114.256 14.641 -3.567 1.00 0.00 H new ATOM 0 HB2 ALA A 125 115.637 15.715 -3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 125 114.763 14.950 -1.889 1.00 0.00 H new ATOM 2049 N ILE A 126 112.168 15.941 -1.039 1.00 0.00 N ATOM 2050 CA ILE A 126 110.835 15.506 -0.535 1.00 0.00 C ATOM 2051 C ILE A 126 109.854 16.664 -0.690 1.00 0.00 C ATOM 2052 O ILE A 126 108.716 16.483 -1.075 1.00 0.00 O ATOM 2053 CB ILE A 126 110.931 15.100 0.937 1.00 0.00 C ATOM 2054 CG1 ILE A 126 111.897 13.920 1.070 1.00 0.00 C ATOM 2055 CG2 ILE A 126 109.546 14.690 1.443 1.00 0.00 C ATOM 2056 CD1 ILE A 126 112.196 13.664 2.548 1.00 0.00 C ATOM 0 H ILE A 126 112.889 16.068 -0.328 1.00 0.00 H new ATOM 0 HA ILE A 126 110.490 14.645 -1.107 1.00 0.00 H new ATOM 0 HB ILE A 126 111.296 15.940 1.528 1.00 0.00 H new ATOM 0 HG12 ILE A 126 111.463 13.029 0.617 1.00 0.00 H new ATOM 0 HG13 ILE A 126 112.822 14.132 0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 126 109.613 14.400 2.492 1.00 0.00 H new ATOM 0 HG22 ILE A 126 108.858 15.530 1.341 1.00 0.00 H new ATOM 0 HG23 ILE A 126 109.179 13.848 0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 126 112.884 12.823 2.640 1.00 0.00 H new ATOM 0 HD12 ILE A 126 112.649 14.553 2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 126 111.269 13.433 3.072 1.00 0.00 H new