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 109 TYR OH : rot 180:sc= -0.37 USER MOD Set 1.2: A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 44 ASN : amide:sc= -0.0528 K(o=-1.3,f=-1.9!) USER MOD Set 2.2: A 101 GLN : amide:sc= -1.28 K(o=-1.3,f=-1.9) USER MOD Set 3.1: A 24 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.144) USER MOD Set 3.2: A 57 TYR OH : rot 165:sc= 0 USER MOD Set 4.1: A 9 GLN : amide:sc= -3.26! C(o=-5.6!,f=-4.2!) USER MOD Set 4.2: A 12 GLN : amide:sc= -2.35! K(o=-5.6!,f=-2.9) USER MOD Single : A 11 LYS NZ :NH3+ 148:sc= 0.289 (180deg=0.0238) USER MOD Single : A 15 GLN : amide:sc= -1.83 K(o=-1.8,f=-5.6) USER MOD Single : A 17 TYR OH : rot 110:sc= -1.07 USER MOD Single : A 20 ASN : amide:sc= -0.609 X(o=-0.61,f=-0.51) USER MOD Single : A 26 LYS NZ :NH3+ -152:sc= -0.092 (180deg=-0.653) USER MOD Single : A 34 SER OG : rot 109:sc= 0.916 USER MOD Single : A 36 MET CE :methyl -116:sc= -2.37 (180deg=-9.19!) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 38 LYS NZ :NH3+ -161:sc= -0.0609 (180deg=-0.505) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0206 USER MOD Single : A 52 SER OG : rot 39:sc= 0.436 USER MOD Single : A 60 TYR OH : rot 166:sc= -1.09 USER MOD Single : A 61 ASN : amide:sc= -3.63! C(o=-3.6!,f=-8.6!) USER MOD Single : A 74 ASN : amide:sc= -0.331 K(o=-0.33,f=-2.1!) 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= -2.73! C(o=-2.7!,f=-5!) 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 103:sc= 0.559 USER MOD Single : A 103 MET CE :methyl -140:sc= 0 (180deg=-0.113) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= -0.0899 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 CYS SG : rot 91:sc= 1.23 USER MOD Single : A 114 LYS NZ :NH3+ 159:sc= -0.069 (180deg=-0.762) USER MOD Single : A 115 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.33) USER MOD Single : A 117 SER OG : rot -6:sc= 0.521 USER MOD Single : A 118 THR OG1 : rot -65:sc= -2.17! USER MOD Single : A 123 GLN : amide:sc= -0.269 K(o=-0.27,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 8 110.578 -14.230 13.796 1.00 0.00 N ATOM 79 CA GLU A 8 110.194 -14.517 12.384 1.00 0.00 C ATOM 80 C GLU A 8 111.035 -13.646 11.448 1.00 0.00 C ATOM 81 O GLU A 8 111.576 -14.113 10.472 1.00 0.00 O ATOM 82 CB GLU A 8 108.713 -14.178 12.190 1.00 0.00 C ATOM 83 CG GLU A 8 108.230 -14.699 10.834 1.00 0.00 C ATOM 84 CD GLU A 8 108.085 -16.222 10.893 1.00 0.00 C ATOM 85 OE1 GLU A 8 107.984 -16.747 11.991 1.00 0.00 O ATOM 86 OE2 GLU A 8 108.076 -16.837 9.840 1.00 0.00 O ATOM 0 HA GLU A 8 110.365 -15.570 12.160 1.00 0.00 H new ATOM 0 HB2 GLU A 8 108.122 -14.622 12.991 1.00 0.00 H new ATOM 0 HB3 GLU A 8 108.568 -13.099 12.247 1.00 0.00 H new ATOM 0 HG2 GLU A 8 107.275 -14.242 10.577 1.00 0.00 H new ATOM 0 HG3 GLU A 8 108.937 -14.421 10.053 1.00 0.00 H new ATOM 93 N GLN A 9 111.151 -12.384 11.744 1.00 0.00 N ATOM 94 CA GLN A 9 111.962 -11.484 10.876 1.00 0.00 C ATOM 95 C GLN A 9 113.448 -11.835 11.026 1.00 0.00 C ATOM 96 O GLN A 9 114.231 -11.691 10.108 1.00 0.00 O ATOM 97 CB GLN A 9 111.721 -10.029 11.300 1.00 0.00 C ATOM 98 CG GLN A 9 112.483 -9.074 10.377 1.00 0.00 C ATOM 99 CD GLN A 9 111.952 -9.201 8.947 1.00 0.00 C ATOM 100 OE1 GLN A 9 112.710 -9.416 8.022 1.00 0.00 O ATOM 101 NE2 GLN A 9 110.672 -9.075 8.726 1.00 0.00 N ATOM 0 H GLN A 9 110.719 -11.934 12.551 1.00 0.00 H new ATOM 0 HA GLN A 9 111.671 -11.610 9.833 1.00 0.00 H new ATOM 0 HB2 GLN A 9 110.655 -9.805 11.266 1.00 0.00 H new ATOM 0 HB3 GLN A 9 112.045 -9.885 12.331 1.00 0.00 H new ATOM 0 HG2 GLN A 9 112.370 -8.048 10.727 1.00 0.00 H new ATOM 0 HG3 GLN A 9 113.548 -9.303 10.401 1.00 0.00 H new ATOM 0 HE21 GLN A 9 110.036 -8.895 9.503 1.00 0.00 H new ATOM 0 HE22 GLN A 9 110.308 -9.157 7.777 1.00 0.00 H new ATOM 110 N PHE A 10 113.843 -12.274 12.189 1.00 0.00 N ATOM 111 CA PHE A 10 115.277 -12.618 12.427 1.00 0.00 C ATOM 112 C PHE A 10 115.709 -13.818 11.567 1.00 0.00 C ATOM 113 O PHE A 10 116.687 -13.754 10.844 1.00 0.00 O ATOM 114 CB PHE A 10 115.439 -12.957 13.909 1.00 0.00 C ATOM 115 CG PHE A 10 116.844 -13.428 14.189 1.00 0.00 C ATOM 116 CD1 PHE A 10 117.907 -12.519 14.141 1.00 0.00 C ATOM 117 CD2 PHE A 10 117.084 -14.772 14.506 1.00 0.00 C ATOM 118 CE1 PHE A 10 119.211 -12.953 14.406 1.00 0.00 C ATOM 119 CE2 PHE A 10 118.388 -15.206 14.771 1.00 0.00 C ATOM 120 CZ PHE A 10 119.452 -14.297 14.720 1.00 0.00 C ATOM 0 H PHE A 10 113.230 -12.411 12.993 1.00 0.00 H new ATOM 0 HA PHE A 10 115.906 -11.771 12.152 1.00 0.00 H new ATOM 0 HB2 PHE A 10 115.215 -12.080 14.516 1.00 0.00 H new ATOM 0 HB3 PHE A 10 114.726 -13.731 14.192 1.00 0.00 H new ATOM 0 HD1 PHE A 10 117.721 -11.483 13.900 1.00 0.00 H new ATOM 0 HD2 PHE A 10 116.263 -15.473 14.546 1.00 0.00 H new ATOM 0 HE1 PHE A 10 120.032 -12.252 14.368 1.00 0.00 H new ATOM 0 HE2 PHE A 10 118.574 -16.242 15.015 1.00 0.00 H new ATOM 0 HZ PHE A 10 120.459 -14.632 14.923 1.00 0.00 H new ATOM 130 N LYS A 11 115.004 -14.915 11.627 1.00 0.00 N ATOM 131 CA LYS A 11 115.419 -16.086 10.801 1.00 0.00 C ATOM 132 C LYS A 11 115.400 -15.692 9.327 1.00 0.00 C ATOM 133 O LYS A 11 116.176 -16.185 8.534 1.00 0.00 O ATOM 134 CB LYS A 11 114.486 -17.281 11.052 1.00 0.00 C ATOM 135 CG LYS A 11 113.092 -16.998 10.483 1.00 0.00 C ATOM 136 CD LYS A 11 112.171 -18.180 10.781 1.00 0.00 C ATOM 137 CE LYS A 11 110.867 -18.004 10.001 1.00 0.00 C ATOM 138 NZ LYS A 11 109.902 -19.070 10.390 1.00 0.00 N ATOM 0 H LYS A 11 114.172 -15.051 12.202 1.00 0.00 H new ATOM 0 HA LYS A 11 116.429 -16.385 11.081 1.00 0.00 H new ATOM 0 HB2 LYS A 11 114.900 -18.177 10.589 1.00 0.00 H new ATOM 0 HB3 LYS A 11 114.416 -17.478 12.122 1.00 0.00 H new ATOM 0 HG2 LYS A 11 112.686 -16.087 10.923 1.00 0.00 H new ATOM 0 HG3 LYS A 11 113.153 -16.833 9.407 1.00 0.00 H new ATOM 0 HD2 LYS A 11 112.655 -19.115 10.499 1.00 0.00 H new ATOM 0 HD3 LYS A 11 111.966 -18.237 11.850 1.00 0.00 H new ATOM 0 HE2 LYS A 11 110.440 -17.022 10.204 1.00 0.00 H new ATOM 0 HE3 LYS A 11 111.063 -18.051 8.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 108.932 -18.699 10.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 110.003 -19.881 9.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 110.097 -19.375 11.365 1.00 0.00 H new ATOM 152 N GLN A 12 114.529 -14.798 8.952 1.00 0.00 N ATOM 153 CA GLN A 12 114.486 -14.373 7.529 1.00 0.00 C ATOM 154 C GLN A 12 115.840 -13.778 7.159 1.00 0.00 C ATOM 155 O GLN A 12 116.314 -13.942 6.064 1.00 0.00 O ATOM 156 CB GLN A 12 113.383 -13.334 7.318 1.00 0.00 C ATOM 157 CG GLN A 12 112.020 -14.030 7.306 1.00 0.00 C ATOM 158 CD GLN A 12 110.914 -12.985 7.153 1.00 0.00 C ATOM 159 OE1 GLN A 12 109.790 -13.316 6.831 1.00 0.00 O ATOM 160 NE2 GLN A 12 111.187 -11.729 7.374 1.00 0.00 N ATOM 0 H GLN A 12 113.850 -14.347 9.565 1.00 0.00 H new ATOM 0 HA GLN A 12 114.271 -15.233 6.895 1.00 0.00 H new ATOM 0 HB2 GLN A 12 113.415 -12.588 8.112 1.00 0.00 H new ATOM 0 HB3 GLN A 12 113.542 -12.806 6.378 1.00 0.00 H new ATOM 0 HG2 GLN A 12 111.973 -14.747 6.486 1.00 0.00 H new ATOM 0 HG3 GLN A 12 111.879 -14.592 8.229 1.00 0.00 H new ATOM 0 HE21 GLN A 12 112.131 -11.452 7.644 1.00 0.00 H new ATOM 0 HE22 GLN A 12 110.457 -11.024 7.277 1.00 0.00 H new ATOM 169 N VAL A 13 116.485 -13.095 8.056 1.00 0.00 N ATOM 170 CA VAL A 13 117.810 -12.528 7.693 1.00 0.00 C ATOM 171 C VAL A 13 118.727 -13.687 7.302 1.00 0.00 C ATOM 172 O VAL A 13 119.516 -13.586 6.379 1.00 0.00 O ATOM 173 CB VAL A 13 118.388 -11.715 8.885 1.00 0.00 C ATOM 174 CG1 VAL A 13 119.293 -12.584 9.777 1.00 0.00 C ATOM 175 CG2 VAL A 13 119.208 -10.533 8.358 1.00 0.00 C ATOM 0 H VAL A 13 116.163 -12.906 9.005 1.00 0.00 H new ATOM 0 HA VAL A 13 117.721 -11.841 6.851 1.00 0.00 H new ATOM 0 HB VAL A 13 117.546 -11.361 9.480 1.00 0.00 H new ATOM 0 HG11 VAL A 13 119.679 -11.982 10.600 1.00 0.00 H new ATOM 0 HG12 VAL A 13 118.717 -13.418 10.177 1.00 0.00 H new ATOM 0 HG13 VAL A 13 120.125 -12.968 9.187 1.00 0.00 H new ATOM 0 HG21 VAL A 13 119.611 -9.966 9.198 1.00 0.00 H new ATOM 0 HG22 VAL A 13 120.028 -10.904 7.744 1.00 0.00 H new ATOM 0 HG23 VAL A 13 118.569 -9.886 7.757 1.00 0.00 H new ATOM 185 N ARG A 14 118.626 -14.791 7.986 1.00 0.00 N ATOM 186 CA ARG A 14 119.491 -15.946 7.627 1.00 0.00 C ATOM 187 C ARG A 14 119.215 -16.370 6.179 1.00 0.00 C ATOM 188 O ARG A 14 120.124 -16.705 5.445 1.00 0.00 O ATOM 189 CB ARG A 14 119.198 -17.120 8.563 1.00 0.00 C ATOM 190 CG ARG A 14 120.191 -18.250 8.287 1.00 0.00 C ATOM 191 CD ARG A 14 119.902 -19.427 9.220 1.00 0.00 C ATOM 192 NE ARG A 14 120.296 -19.075 10.611 1.00 0.00 N ATOM 193 CZ ARG A 14 120.285 -19.992 11.540 1.00 0.00 C ATOM 194 NH1 ARG A 14 120.848 -21.148 11.320 1.00 0.00 N ATOM 195 NH2 ARG A 14 119.708 -19.754 12.686 1.00 0.00 N ATOM 0 H ARG A 14 117.990 -14.943 8.769 1.00 0.00 H new ATOM 0 HA ARG A 14 120.536 -15.653 7.727 1.00 0.00 H new ATOM 0 HB2 ARG A 14 119.275 -16.799 9.602 1.00 0.00 H new ATOM 0 HB3 ARG A 14 118.178 -17.473 8.413 1.00 0.00 H new ATOM 0 HG2 ARG A 14 120.114 -18.569 7.248 1.00 0.00 H new ATOM 0 HG3 ARG A 14 121.211 -17.896 8.437 1.00 0.00 H new ATOM 0 HD2 ARG A 14 118.842 -19.679 9.185 1.00 0.00 H new ATOM 0 HD3 ARG A 14 120.450 -20.309 8.889 1.00 0.00 H new ATOM 0 HE ARG A 14 120.574 -18.120 10.838 1.00 0.00 H new ATOM 0 HH11 ARG A 14 121.296 -21.335 10.423 1.00 0.00 H new ATOM 0 HH12 ARG A 14 120.840 -21.865 12.045 1.00 0.00 H new ATOM 0 HH21 ARG A 14 119.265 -18.851 12.856 1.00 0.00 H new ATOM 0 HH22 ARG A 14 119.700 -20.471 13.411 1.00 0.00 H new ATOM 209 N GLN A 15 117.976 -16.372 5.754 1.00 0.00 N ATOM 210 CA GLN A 15 117.689 -16.793 4.354 1.00 0.00 C ATOM 211 C GLN A 15 118.371 -15.828 3.374 1.00 0.00 C ATOM 212 O GLN A 15 118.688 -16.195 2.262 1.00 0.00 O ATOM 213 CB GLN A 15 116.161 -16.882 4.118 1.00 0.00 C ATOM 214 CG GLN A 15 115.565 -15.549 3.624 1.00 0.00 C ATOM 215 CD GLN A 15 114.112 -15.420 4.099 1.00 0.00 C ATOM 216 OE1 GLN A 15 113.721 -14.401 4.630 1.00 0.00 O ATOM 217 NE2 GLN A 15 113.293 -16.424 3.931 1.00 0.00 N ATOM 0 H GLN A 15 117.163 -16.104 6.309 1.00 0.00 H new ATOM 0 HA GLN A 15 118.097 -17.789 4.180 1.00 0.00 H new ATOM 0 HB2 GLN A 15 115.954 -17.663 3.386 1.00 0.00 H new ATOM 0 HB3 GLN A 15 115.669 -17.175 5.045 1.00 0.00 H new ATOM 0 HG2 GLN A 15 116.156 -14.714 4.001 1.00 0.00 H new ATOM 0 HG3 GLN A 15 115.607 -15.503 2.536 1.00 0.00 H new ATOM 0 HE21 GLN A 15 113.621 -17.281 3.485 1.00 0.00 H new ATOM 0 HE22 GLN A 15 112.326 -16.351 4.246 1.00 0.00 H new ATOM 226 N LEU A 16 118.605 -14.597 3.771 1.00 0.00 N ATOM 227 CA LEU A 16 119.269 -13.642 2.835 1.00 0.00 C ATOM 228 C LEU A 16 120.683 -14.133 2.534 1.00 0.00 C ATOM 229 O LEU A 16 121.098 -14.223 1.396 1.00 0.00 O ATOM 230 CB LEU A 16 119.392 -12.272 3.498 1.00 0.00 C ATOM 231 CG LEU A 16 118.013 -11.712 3.852 1.00 0.00 C ATOM 232 CD1 LEU A 16 118.198 -10.415 4.649 1.00 0.00 C ATOM 233 CD2 LEU A 16 117.215 -11.418 2.570 1.00 0.00 C ATOM 0 H LEU A 16 118.368 -14.220 4.689 1.00 0.00 H new ATOM 0 HA LEU A 16 118.676 -13.574 1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 16 119.999 -12.353 4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 16 119.907 -11.584 2.828 1.00 0.00 H new ATOM 0 HG LEU A 16 117.464 -12.443 4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 16 117.222 -10.005 4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 16 118.757 -10.625 5.561 1.00 0.00 H new ATOM 0 HD13 LEU A 16 118.747 -9.692 4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 16 116.235 -11.020 2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 16 117.753 -10.687 1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 16 117.091 -12.339 2.000 1.00 0.00 H new ATOM 245 N TYR A 17 121.427 -14.446 3.556 1.00 0.00 N ATOM 246 CA TYR A 17 122.820 -14.928 3.353 1.00 0.00 C ATOM 247 C TYR A 17 122.799 -16.260 2.596 1.00 0.00 C ATOM 248 O TYR A 17 123.633 -16.520 1.752 1.00 0.00 O ATOM 249 CB TYR A 17 123.489 -15.120 4.720 1.00 0.00 C ATOM 250 CG TYR A 17 123.891 -13.780 5.292 1.00 0.00 C ATOM 251 CD1 TYR A 17 122.978 -13.033 6.048 1.00 0.00 C ATOM 252 CD2 TYR A 17 125.187 -13.292 5.078 1.00 0.00 C ATOM 253 CE1 TYR A 17 123.361 -11.800 6.589 1.00 0.00 C ATOM 254 CE2 TYR A 17 125.568 -12.057 5.617 1.00 0.00 C ATOM 255 CZ TYR A 17 124.656 -11.312 6.373 1.00 0.00 C ATOM 256 OH TYR A 17 125.033 -10.096 6.906 1.00 0.00 O ATOM 0 H TYR A 17 121.128 -14.388 4.530 1.00 0.00 H new ATOM 0 HA TYR A 17 123.381 -14.196 2.771 1.00 0.00 H new ATOM 0 HB2 TYR A 17 122.804 -15.625 5.401 1.00 0.00 H new ATOM 0 HB3 TYR A 17 124.366 -15.759 4.618 1.00 0.00 H new ATOM 0 HD1 TYR A 17 121.979 -13.408 6.213 1.00 0.00 H new ATOM 0 HD2 TYR A 17 125.892 -13.868 4.497 1.00 0.00 H new ATOM 0 HE1 TYR A 17 122.658 -11.225 7.173 1.00 0.00 H new ATOM 0 HE2 TYR A 17 126.566 -11.679 5.449 1.00 0.00 H new ATOM 0 HH TYR A 17 125.680 -10.242 7.627 1.00 0.00 H new ATOM 266 N GLU A 18 121.866 -17.116 2.913 1.00 0.00 N ATOM 267 CA GLU A 18 121.803 -18.446 2.233 1.00 0.00 C ATOM 268 C GLU A 18 121.469 -18.289 0.743 1.00 0.00 C ATOM 269 O GLU A 18 121.503 -19.249 -0.002 1.00 0.00 O ATOM 270 CB GLU A 18 120.731 -19.313 2.895 1.00 0.00 C ATOM 271 CG GLU A 18 121.187 -19.706 4.302 1.00 0.00 C ATOM 272 CD GLU A 18 120.113 -20.574 4.962 1.00 0.00 C ATOM 273 OE1 GLU A 18 119.031 -20.668 4.406 1.00 0.00 O ATOM 274 OE2 GLU A 18 120.391 -21.128 6.013 1.00 0.00 O ATOM 0 H GLU A 18 121.143 -16.954 3.614 1.00 0.00 H new ATOM 0 HA GLU A 18 122.780 -18.920 2.326 1.00 0.00 H new ATOM 0 HB2 GLU A 18 119.788 -18.768 2.946 1.00 0.00 H new ATOM 0 HB3 GLU A 18 120.551 -20.206 2.297 1.00 0.00 H new ATOM 0 HG2 GLU A 18 122.130 -20.251 4.252 1.00 0.00 H new ATOM 0 HG3 GLU A 18 121.367 -18.813 4.901 1.00 0.00 H new ATOM 281 N ILE A 19 121.141 -17.108 0.292 1.00 0.00 N ATOM 282 CA ILE A 19 120.807 -16.949 -1.155 1.00 0.00 C ATOM 283 C ILE A 19 121.958 -17.506 -1.999 1.00 0.00 C ATOM 284 O ILE A 19 121.743 -18.152 -3.005 1.00 0.00 O ATOM 285 CB ILE A 19 120.606 -15.464 -1.485 1.00 0.00 C ATOM 286 CG1 ILE A 19 119.330 -14.957 -0.806 1.00 0.00 C ATOM 287 CG2 ILE A 19 120.475 -15.287 -3.004 1.00 0.00 C ATOM 288 CD1 ILE A 19 119.273 -13.430 -0.895 1.00 0.00 C ATOM 0 H ILE A 19 121.090 -16.257 0.852 1.00 0.00 H new ATOM 0 HA ILE A 19 119.888 -17.491 -1.376 1.00 0.00 H new ATOM 0 HB ILE A 19 121.464 -14.896 -1.124 1.00 0.00 H new ATOM 0 HG12 ILE A 19 118.453 -15.392 -1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 19 119.312 -15.271 0.237 1.00 0.00 H new ATOM 0 HG21 ILE A 19 120.332 -14.232 -3.236 1.00 0.00 H new ATOM 0 HG22 ILE A 19 121.381 -15.647 -3.492 1.00 0.00 H new ATOM 0 HG23 ILE A 19 119.618 -15.857 -3.364 1.00 0.00 H new ATOM 0 HD11 ILE A 19 118.364 -13.071 -0.411 1.00 0.00 H new ATOM 0 HD12 ILE A 19 120.143 -13.004 -0.395 1.00 0.00 H new ATOM 0 HD13 ILE A 19 119.271 -13.126 -1.942 1.00 0.00 H new ATOM 300 N ASN A 20 123.174 -17.266 -1.595 1.00 0.00 N ATOM 301 CA ASN A 20 124.331 -17.785 -2.373 1.00 0.00 C ATOM 302 C ASN A 20 125.614 -17.554 -1.574 1.00 0.00 C ATOM 303 O ASN A 20 125.611 -16.901 -0.549 1.00 0.00 O ATOM 304 CB ASN A 20 124.413 -17.055 -3.721 1.00 0.00 C ATOM 305 CG ASN A 20 125.243 -17.883 -4.707 1.00 0.00 C ATOM 306 OD1 ASN A 20 126.250 -17.424 -5.207 1.00 0.00 O ATOM 307 ND2 ASN A 20 124.859 -19.094 -5.009 1.00 0.00 N ATOM 0 H ASN A 20 123.416 -16.733 -0.760 1.00 0.00 H new ATOM 0 HA ASN A 20 124.205 -18.852 -2.556 1.00 0.00 H new ATOM 0 HB2 ASN A 20 123.411 -16.894 -4.120 1.00 0.00 H new ATOM 0 HB3 ASN A 20 124.865 -16.072 -3.586 1.00 0.00 H new ATOM 0 HD21 ASN A 20 125.405 -19.654 -5.664 1.00 0.00 H new ATOM 0 HD22 ASN A 20 124.013 -19.480 -4.590 1.00 0.00 H new ATOM 314 N ASP A 21 126.711 -18.094 -2.029 1.00 0.00 N ATOM 315 CA ASP A 21 127.998 -17.920 -1.291 1.00 0.00 C ATOM 316 C ASP A 21 128.724 -16.687 -1.829 1.00 0.00 C ATOM 317 O ASP A 21 129.901 -16.502 -1.599 1.00 0.00 O ATOM 318 CB ASP A 21 128.874 -19.155 -1.506 1.00 0.00 C ATOM 319 CG ASP A 21 128.212 -20.370 -0.855 1.00 0.00 C ATOM 320 OD1 ASP A 21 127.477 -20.180 0.099 1.00 0.00 O ATOM 321 OD2 ASP A 21 128.449 -21.471 -1.326 1.00 0.00 O ATOM 0 H ASP A 21 126.774 -18.650 -2.882 1.00 0.00 H new ATOM 0 HA ASP A 21 127.797 -17.793 -0.227 1.00 0.00 H new ATOM 0 HB2 ASP A 21 129.015 -19.332 -2.572 1.00 0.00 H new ATOM 0 HB3 ASP A 21 129.862 -18.992 -1.076 1.00 0.00 H new ATOM 326 N ASP A 22 128.029 -15.842 -2.541 1.00 0.00 N ATOM 327 CA ASP A 22 128.678 -14.620 -3.098 1.00 0.00 C ATOM 328 C ASP A 22 129.394 -13.858 -1.956 1.00 0.00 C ATOM 329 O ASP A 22 128.736 -13.335 -1.079 1.00 0.00 O ATOM 330 CB ASP A 22 127.591 -13.724 -3.698 1.00 0.00 C ATOM 331 CG ASP A 22 128.217 -12.429 -4.215 1.00 0.00 C ATOM 332 OD1 ASP A 22 128.688 -12.430 -5.340 1.00 0.00 O ATOM 333 OD2 ASP A 22 128.212 -11.459 -3.480 1.00 0.00 O ATOM 0 H ASP A 22 127.038 -15.945 -2.761 1.00 0.00 H new ATOM 0 HA ASP A 22 129.404 -14.895 -3.863 1.00 0.00 H new ATOM 0 HB2 ASP A 22 127.085 -14.245 -4.511 1.00 0.00 H new ATOM 0 HB3 ASP A 22 126.836 -13.499 -2.945 1.00 0.00 H new ATOM 338 N PRO A 23 130.720 -13.785 -1.933 1.00 0.00 N ATOM 339 CA PRO A 23 131.414 -13.058 -0.828 1.00 0.00 C ATOM 340 C PRO A 23 131.059 -11.563 -0.791 1.00 0.00 C ATOM 341 O PRO A 23 130.918 -10.978 0.265 1.00 0.00 O ATOM 342 CB PRO A 23 132.910 -13.275 -1.149 1.00 0.00 C ATOM 343 CG PRO A 23 133.023 -14.121 -2.433 1.00 0.00 C ATOM 344 CD PRO A 23 131.606 -14.400 -2.969 1.00 0.00 C ATOM 0 HA PRO A 23 131.124 -13.426 0.156 1.00 0.00 H new ATOM 0 HB2 PRO A 23 133.411 -12.316 -1.283 1.00 0.00 H new ATOM 0 HB3 PRO A 23 133.405 -13.780 -0.319 1.00 0.00 H new ATOM 0 HG2 PRO A 23 133.613 -13.593 -3.182 1.00 0.00 H new ATOM 0 HG3 PRO A 23 133.539 -15.058 -2.224 1.00 0.00 H new ATOM 0 HD2 PRO A 23 131.451 -13.950 -3.950 1.00 0.00 H new ATOM 0 HD3 PRO A 23 131.419 -15.469 -3.075 1.00 0.00 H new ATOM 352 N LYS A 24 130.923 -10.940 -1.930 1.00 0.00 N ATOM 353 CA LYS A 24 130.590 -9.486 -1.940 1.00 0.00 C ATOM 354 C LYS A 24 129.254 -9.262 -1.229 1.00 0.00 C ATOM 355 O LYS A 24 129.123 -8.385 -0.398 1.00 0.00 O ATOM 356 CB LYS A 24 130.507 -8.996 -3.394 1.00 0.00 C ATOM 357 CG LYS A 24 130.088 -7.515 -3.464 1.00 0.00 C ATOM 358 CD LYS A 24 131.103 -6.621 -2.738 1.00 0.00 C ATOM 359 CE LYS A 24 130.818 -5.157 -3.075 1.00 0.00 C ATOM 360 NZ LYS A 24 129.498 -4.768 -2.501 1.00 0.00 N ATOM 0 H LYS A 24 131.027 -11.371 -2.849 1.00 0.00 H new ATOM 0 HA LYS A 24 131.365 -8.925 -1.417 1.00 0.00 H new ATOM 0 HB2 LYS A 24 131.474 -9.125 -3.879 1.00 0.00 H new ATOM 0 HB3 LYS A 24 129.790 -9.605 -3.945 1.00 0.00 H new ATOM 0 HG2 LYS A 24 130.005 -7.206 -4.506 1.00 0.00 H new ATOM 0 HG3 LYS A 24 129.102 -7.391 -3.016 1.00 0.00 H new ATOM 0 HD2 LYS A 24 131.038 -6.778 -1.661 1.00 0.00 H new ATOM 0 HD3 LYS A 24 132.117 -6.885 -3.038 1.00 0.00 H new ATOM 0 HE2 LYS A 24 131.605 -4.519 -2.672 1.00 0.00 H new ATOM 0 HE3 LYS A 24 130.814 -5.015 -4.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 129.507 -3.755 -2.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 128.748 -4.955 -3.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 129.317 -5.323 -1.640 1.00 0.00 H new ATOM 374 N ARG A 25 128.261 -10.050 -1.540 1.00 0.00 N ATOM 375 CA ARG A 25 126.941 -9.881 -0.870 1.00 0.00 C ATOM 376 C ARG A 25 127.110 -10.085 0.634 1.00 0.00 C ATOM 377 O ARG A 25 126.566 -9.351 1.434 1.00 0.00 O ATOM 378 CB ARG A 25 125.943 -10.899 -1.429 1.00 0.00 C ATOM 379 CG ARG A 25 124.591 -10.724 -0.734 1.00 0.00 C ATOM 380 CD ARG A 25 123.553 -11.626 -1.402 1.00 0.00 C ATOM 381 NE ARG A 25 123.423 -11.249 -2.844 1.00 0.00 N ATOM 382 CZ ARG A 25 122.253 -11.262 -3.431 1.00 0.00 C ATOM 383 NH1 ARG A 25 121.422 -12.244 -3.211 1.00 0.00 N ATOM 384 NH2 ARG A 25 121.918 -10.289 -4.235 1.00 0.00 N ATOM 0 H ARG A 25 128.307 -10.802 -2.228 1.00 0.00 H new ATOM 0 HA ARG A 25 126.561 -8.877 -1.057 1.00 0.00 H new ATOM 0 HB2 ARG A 25 125.831 -10.762 -2.505 1.00 0.00 H new ATOM 0 HB3 ARG A 25 126.315 -11.912 -1.274 1.00 0.00 H new ATOM 0 HG2 ARG A 25 124.679 -10.974 0.323 1.00 0.00 H new ATOM 0 HG3 ARG A 25 124.273 -9.683 -0.790 1.00 0.00 H new ATOM 0 HD2 ARG A 25 123.851 -12.671 -1.313 1.00 0.00 H new ATOM 0 HD3 ARG A 25 122.591 -11.526 -0.900 1.00 0.00 H new ATOM 0 HE ARG A 25 124.252 -10.980 -3.374 1.00 0.00 H new ATOM 0 HH11 ARG A 25 121.684 -13.002 -2.581 1.00 0.00 H new ATOM 0 HH12 ARG A 25 120.511 -12.253 -3.669 1.00 0.00 H new ATOM 0 HH21 ARG A 25 122.567 -9.521 -4.405 1.00 0.00 H new ATOM 0 HH22 ARG A 25 121.007 -10.297 -4.693 1.00 0.00 H new ATOM 398 N LYS A 26 127.869 -11.071 1.028 1.00 0.00 N ATOM 399 CA LYS A 26 128.075 -11.304 2.481 1.00 0.00 C ATOM 400 C LYS A 26 128.711 -10.054 3.086 1.00 0.00 C ATOM 401 O LYS A 26 128.324 -9.595 4.142 1.00 0.00 O ATOM 402 CB LYS A 26 129.007 -12.506 2.681 1.00 0.00 C ATOM 403 CG LYS A 26 129.135 -12.822 4.180 1.00 0.00 C ATOM 404 CD LYS A 26 130.199 -13.912 4.410 1.00 0.00 C ATOM 405 CE LYS A 26 129.595 -15.303 4.184 1.00 0.00 C ATOM 406 NZ LYS A 26 128.598 -15.591 5.253 1.00 0.00 N ATOM 0 H LYS A 26 128.352 -11.721 0.408 1.00 0.00 H new ATOM 0 HA LYS A 26 127.122 -11.510 2.967 1.00 0.00 H new ATOM 0 HB2 LYS A 26 128.616 -13.373 2.149 1.00 0.00 H new ATOM 0 HB3 LYS A 26 129.989 -12.290 2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 26 129.406 -11.919 4.727 1.00 0.00 H new ATOM 0 HG3 LYS A 26 128.174 -13.155 4.571 1.00 0.00 H new ATOM 0 HD2 LYS A 26 131.039 -13.758 3.732 1.00 0.00 H new ATOM 0 HD3 LYS A 26 130.591 -13.839 5.425 1.00 0.00 H new ATOM 0 HE2 LYS A 26 129.118 -15.349 3.205 1.00 0.00 H new ATOM 0 HE3 LYS A 26 130.381 -16.058 4.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 128.540 -16.618 5.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 128.891 -15.125 6.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 127.666 -15.231 4.964 1.00 0.00 H new ATOM 420 N GLU A 27 129.682 -9.496 2.417 1.00 0.00 N ATOM 421 CA GLU A 27 130.338 -8.272 2.947 1.00 0.00 C ATOM 422 C GLU A 27 129.288 -7.168 3.086 1.00 0.00 C ATOM 423 O GLU A 27 129.183 -6.523 4.111 1.00 0.00 O ATOM 424 CB GLU A 27 131.442 -7.824 1.980 1.00 0.00 C ATOM 425 CG GLU A 27 132.131 -6.567 2.522 1.00 0.00 C ATOM 426 CD GLU A 27 133.266 -6.159 1.580 1.00 0.00 C ATOM 427 OE1 GLU A 27 133.582 -6.935 0.695 1.00 0.00 O ATOM 428 OE2 GLU A 27 133.798 -5.077 1.761 1.00 0.00 O ATOM 0 H GLU A 27 130.048 -9.836 1.527 1.00 0.00 H new ATOM 0 HA GLU A 27 130.782 -8.479 3.921 1.00 0.00 H new ATOM 0 HB2 GLU A 27 132.172 -8.623 1.852 1.00 0.00 H new ATOM 0 HB3 GLU A 27 131.016 -7.621 0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 27 131.410 -5.755 2.612 1.00 0.00 H new ATOM 0 HG3 GLU A 27 132.524 -6.757 3.521 1.00 0.00 H new ATOM 435 N PHE A 28 128.504 -6.947 2.063 1.00 0.00 N ATOM 436 CA PHE A 28 127.459 -5.891 2.139 1.00 0.00 C ATOM 437 C PHE A 28 126.464 -6.188 3.272 1.00 0.00 C ATOM 438 O PHE A 28 126.196 -5.343 4.103 1.00 0.00 O ATOM 439 CB PHE A 28 126.710 -5.833 0.801 1.00 0.00 C ATOM 440 CG PHE A 28 125.467 -4.989 0.955 1.00 0.00 C ATOM 441 CD1 PHE A 28 124.291 -5.593 1.403 1.00 0.00 C ATOM 442 CD2 PHE A 28 125.492 -3.619 0.677 1.00 0.00 C ATOM 443 CE1 PHE A 28 123.132 -4.834 1.573 1.00 0.00 C ATOM 444 CE2 PHE A 28 124.331 -2.855 0.847 1.00 0.00 C ATOM 445 CZ PHE A 28 123.152 -3.463 1.296 1.00 0.00 C ATOM 0 H PHE A 28 128.545 -7.454 1.179 1.00 0.00 H new ATOM 0 HA PHE A 28 127.938 -4.934 2.345 1.00 0.00 H new ATOM 0 HB2 PHE A 28 127.355 -5.412 0.029 1.00 0.00 H new ATOM 0 HB3 PHE A 28 126.442 -6.839 0.479 1.00 0.00 H new ATOM 0 HD1 PHE A 28 124.278 -6.651 1.619 1.00 0.00 H new ATOM 0 HD2 PHE A 28 126.403 -3.152 0.333 1.00 0.00 H new ATOM 0 HE1 PHE A 28 122.223 -5.304 1.917 1.00 0.00 H new ATOM 0 HE2 PHE A 28 124.345 -1.797 0.632 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.257 -2.873 1.429 1.00 0.00 H new ATOM 455 N LEU A 29 125.901 -7.367 3.307 1.00 0.00 N ATOM 456 CA LEU A 29 124.914 -7.668 4.382 1.00 0.00 C ATOM 457 C LEU A 29 125.601 -7.524 5.735 1.00 0.00 C ATOM 458 O LEU A 29 125.109 -6.863 6.627 1.00 0.00 O ATOM 459 CB LEU A 29 124.393 -9.104 4.237 1.00 0.00 C ATOM 460 CG LEU A 29 123.703 -9.307 2.880 1.00 0.00 C ATOM 461 CD1 LEU A 29 123.454 -10.803 2.682 1.00 0.00 C ATOM 462 CD2 LEU A 29 122.348 -8.576 2.833 1.00 0.00 C ATOM 0 H LEU A 29 126.079 -8.124 2.647 1.00 0.00 H new ATOM 0 HA LEU A 29 124.076 -6.975 4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 29 125.221 -9.806 4.336 1.00 0.00 H new ATOM 0 HB3 LEU A 29 123.691 -9.323 5.042 1.00 0.00 H new ATOM 0 HG LEU A 29 124.345 -8.905 2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 29 122.964 -10.966 1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 29 124.405 -11.336 2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 29 122.815 -11.175 3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 29 121.881 -8.737 1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 29 121.698 -8.965 3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 29 122.505 -7.509 2.988 1.00 0.00 H new ATOM 474 N ASP A 30 126.742 -8.132 5.893 1.00 0.00 N ATOM 475 CA ASP A 30 127.462 -8.021 7.187 1.00 0.00 C ATOM 476 C ASP A 30 127.771 -6.550 7.460 1.00 0.00 C ATOM 477 O ASP A 30 127.644 -6.075 8.568 1.00 0.00 O ATOM 478 CB ASP A 30 128.769 -8.814 7.114 1.00 0.00 C ATOM 479 CG ASP A 30 129.510 -8.701 8.448 1.00 0.00 C ATOM 480 OD1 ASP A 30 129.077 -7.920 9.280 1.00 0.00 O ATOM 481 OD2 ASP A 30 130.493 -9.403 8.619 1.00 0.00 O ATOM 0 H ASP A 30 127.205 -8.699 5.183 1.00 0.00 H new ATOM 0 HA ASP A 30 126.843 -8.422 7.989 1.00 0.00 H new ATOM 0 HB2 ASP A 30 128.560 -9.860 6.889 1.00 0.00 H new ATOM 0 HB3 ASP A 30 129.393 -8.433 6.306 1.00 0.00 H new ATOM 486 N ASP A 31 128.179 -5.823 6.455 1.00 0.00 N ATOM 487 CA ASP A 31 128.501 -4.384 6.660 1.00 0.00 C ATOM 488 C ASP A 31 127.220 -3.586 6.914 1.00 0.00 C ATOM 489 O ASP A 31 127.114 -2.872 7.891 1.00 0.00 O ATOM 490 CB ASP A 31 129.201 -3.837 5.415 1.00 0.00 C ATOM 491 CG ASP A 31 129.740 -2.436 5.709 1.00 0.00 C ATOM 492 OD1 ASP A 31 129.134 -1.745 6.511 1.00 0.00 O ATOM 493 OD2 ASP A 31 130.748 -2.074 5.123 1.00 0.00 O ATOM 0 H ASP A 31 128.303 -6.164 5.502 1.00 0.00 H new ATOM 0 HA ASP A 31 129.157 -4.288 7.525 1.00 0.00 H new ATOM 0 HB2 ASP A 31 130.017 -4.498 5.123 1.00 0.00 H new ATOM 0 HB3 ASP A 31 128.504 -3.802 4.578 1.00 0.00 H new ATOM 498 N LEU A 32 126.249 -3.687 6.045 1.00 0.00 N ATOM 499 CA LEU A 32 124.994 -2.913 6.261 1.00 0.00 C ATOM 500 C LEU A 32 124.360 -3.330 7.588 1.00 0.00 C ATOM 501 O LEU A 32 124.036 -2.499 8.414 1.00 0.00 O ATOM 502 CB LEU A 32 124.026 -3.169 5.096 1.00 0.00 C ATOM 503 CG LEU A 32 122.642 -2.580 5.411 1.00 0.00 C ATOM 504 CD1 LEU A 32 122.780 -1.106 5.816 1.00 0.00 C ATOM 505 CD2 LEU A 32 121.754 -2.686 4.162 1.00 0.00 C ATOM 0 H LEU A 32 126.270 -4.265 5.205 1.00 0.00 H new ATOM 0 HA LEU A 32 125.219 -1.847 6.300 1.00 0.00 H new ATOM 0 HB2 LEU A 32 124.419 -2.722 4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 32 123.940 -4.240 4.915 1.00 0.00 H new ATOM 0 HG LEU A 32 122.192 -3.135 6.234 1.00 0.00 H new ATOM 0 HD11 LEU A 32 121.795 -0.696 6.038 1.00 0.00 H new ATOM 0 HD12 LEU A 32 123.412 -1.029 6.701 1.00 0.00 H new ATOM 0 HD13 LEU A 32 123.231 -0.545 4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 32 120.770 -2.270 4.379 1.00 0.00 H new ATOM 0 HD22 LEU A 32 122.211 -2.131 3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 32 121.650 -3.733 3.877 1.00 0.00 H new ATOM 517 N PHE A 33 124.195 -4.603 7.824 1.00 0.00 N ATOM 518 CA PHE A 33 123.596 -5.015 9.125 1.00 0.00 C ATOM 519 C PHE A 33 124.498 -4.503 10.250 1.00 0.00 C ATOM 520 O PHE A 33 124.032 -4.058 11.273 1.00 0.00 O ATOM 521 CB PHE A 33 123.455 -6.544 9.226 1.00 0.00 C ATOM 522 CG PHE A 33 122.259 -7.036 8.417 1.00 0.00 C ATOM 523 CD1 PHE A 33 120.959 -6.538 8.655 1.00 0.00 C ATOM 524 CD2 PHE A 33 122.451 -8.004 7.419 1.00 0.00 C ATOM 525 CE1 PHE A 33 119.879 -7.007 7.893 1.00 0.00 C ATOM 526 CE2 PHE A 33 121.369 -8.463 6.664 1.00 0.00 C ATOM 527 CZ PHE A 33 120.086 -7.965 6.896 1.00 0.00 C ATOM 0 H PHE A 33 124.443 -5.361 7.188 1.00 0.00 H new ATOM 0 HA PHE A 33 122.596 -4.590 9.205 1.00 0.00 H new ATOM 0 HB2 PHE A 33 124.365 -7.022 8.864 1.00 0.00 H new ATOM 0 HB3 PHE A 33 123.337 -6.834 10.270 1.00 0.00 H new ATOM 0 HD1 PHE A 33 120.797 -5.797 9.423 1.00 0.00 H new ATOM 0 HD2 PHE A 33 123.440 -8.396 7.234 1.00 0.00 H new ATOM 0 HE1 PHE A 33 118.885 -6.627 8.077 1.00 0.00 H new ATOM 0 HE2 PHE A 33 121.526 -9.207 5.897 1.00 0.00 H new ATOM 0 HZ PHE A 33 119.254 -8.319 6.306 1.00 0.00 H new ATOM 537 N SER A 34 125.793 -4.560 10.075 1.00 0.00 N ATOM 538 CA SER A 34 126.704 -4.069 11.152 1.00 0.00 C ATOM 539 C SER A 34 126.434 -2.582 11.428 1.00 0.00 C ATOM 540 O SER A 34 126.435 -2.144 12.559 1.00 0.00 O ATOM 541 CB SER A 34 128.159 -4.246 10.718 1.00 0.00 C ATOM 542 OG SER A 34 128.481 -5.631 10.700 1.00 0.00 O ATOM 0 H SER A 34 126.256 -4.922 9.241 1.00 0.00 H new ATOM 0 HA SER A 34 126.521 -4.644 12.059 1.00 0.00 H new ATOM 0 HB2 SER A 34 128.310 -3.813 9.729 1.00 0.00 H new ATOM 0 HB3 SER A 34 128.821 -3.716 11.403 1.00 0.00 H new ATOM 0 HG SER A 34 128.578 -5.932 9.773 1.00 0.00 H new ATOM 548 N PHE A 35 126.208 -1.799 10.409 1.00 0.00 N ATOM 549 CA PHE A 35 125.942 -0.346 10.633 1.00 0.00 C ATOM 550 C PHE A 35 124.663 -0.164 11.462 1.00 0.00 C ATOM 551 O PHE A 35 124.682 0.417 12.530 1.00 0.00 O ATOM 552 CB PHE A 35 125.775 0.349 9.282 1.00 0.00 C ATOM 553 CG PHE A 35 125.539 1.824 9.496 1.00 0.00 C ATOM 554 CD1 PHE A 35 124.238 2.306 9.676 1.00 0.00 C ATOM 555 CD2 PHE A 35 126.624 2.710 9.517 1.00 0.00 C ATOM 556 CE1 PHE A 35 124.020 3.675 9.875 1.00 0.00 C ATOM 557 CE2 PHE A 35 126.406 4.079 9.716 1.00 0.00 C ATOM 558 CZ PHE A 35 125.104 4.561 9.895 1.00 0.00 C ATOM 0 H PHE A 35 126.196 -2.099 9.434 1.00 0.00 H new ATOM 0 HA PHE A 35 126.780 0.092 11.175 1.00 0.00 H new ATOM 0 HB2 PHE A 35 126.665 0.198 8.672 1.00 0.00 H new ATOM 0 HB3 PHE A 35 124.938 -0.088 8.738 1.00 0.00 H new ATOM 0 HD1 PHE A 35 123.402 1.622 9.661 1.00 0.00 H new ATOM 0 HD2 PHE A 35 127.628 2.337 9.380 1.00 0.00 H new ATOM 0 HE1 PHE A 35 123.016 4.047 10.013 1.00 0.00 H new ATOM 0 HE2 PHE A 35 127.242 4.763 9.731 1.00 0.00 H new ATOM 0 HZ PHE A 35 124.936 5.617 10.049 1.00 0.00 H new ATOM 568 N MET A 36 123.553 -0.650 10.972 1.00 0.00 N ATOM 569 CA MET A 36 122.267 -0.503 11.718 1.00 0.00 C ATOM 570 C MET A 36 122.294 -1.363 12.987 1.00 0.00 C ATOM 571 O MET A 36 121.451 -1.235 13.853 1.00 0.00 O ATOM 572 CB MET A 36 121.105 -0.955 10.825 1.00 0.00 C ATOM 573 CG MET A 36 121.406 -2.350 10.223 1.00 0.00 C ATOM 574 SD MET A 36 120.006 -3.466 10.508 1.00 0.00 S ATOM 575 CE MET A 36 118.798 -2.614 9.464 1.00 0.00 C ATOM 0 H MET A 36 123.481 -1.145 10.083 1.00 0.00 H new ATOM 0 HA MET A 36 122.135 0.543 11.996 1.00 0.00 H new ATOM 0 HB2 MET A 36 120.183 -0.992 11.406 1.00 0.00 H new ATOM 0 HB3 MET A 36 120.948 -0.231 10.025 1.00 0.00 H new ATOM 0 HG2 MET A 36 121.597 -2.260 9.154 1.00 0.00 H new ATOM 0 HG3 MET A 36 122.308 -2.763 10.675 1.00 0.00 H new ATOM 0 HE1 MET A 36 117.983 -2.238 10.083 1.00 0.00 H new ATOM 0 HE2 MET A 36 119.281 -1.780 8.955 1.00 0.00 H new ATOM 0 HE3 MET A 36 118.401 -3.310 8.725 1.00 0.00 H new ATOM 585 N GLN A 37 123.249 -2.246 13.099 1.00 0.00 N ATOM 586 CA GLN A 37 123.320 -3.125 14.307 1.00 0.00 C ATOM 587 C GLN A 37 123.237 -2.260 15.560 1.00 0.00 C ATOM 588 O GLN A 37 123.060 -2.754 16.655 1.00 0.00 O ATOM 589 CB GLN A 37 124.636 -3.911 14.313 1.00 0.00 C ATOM 590 CG GLN A 37 124.693 -4.854 15.517 1.00 0.00 C ATOM 591 CD GLN A 37 125.890 -5.794 15.358 1.00 0.00 C ATOM 592 OE1 GLN A 37 126.798 -5.517 14.598 1.00 0.00 O ATOM 593 NE2 GLN A 37 125.933 -6.903 16.043 1.00 0.00 N ATOM 0 H GLN A 37 123.984 -2.399 12.408 1.00 0.00 H new ATOM 0 HA GLN A 37 122.489 -3.830 14.287 1.00 0.00 H new ATOM 0 HB2 GLN A 37 124.728 -4.484 13.390 1.00 0.00 H new ATOM 0 HB3 GLN A 37 125.479 -3.220 14.345 1.00 0.00 H new ATOM 0 HG2 GLN A 37 124.784 -4.281 16.440 1.00 0.00 H new ATOM 0 HG3 GLN A 37 123.770 -5.429 15.589 1.00 0.00 H new ATOM 0 HE21 GLN A 37 125.173 -7.138 16.681 1.00 0.00 H new ATOM 0 HE22 GLN A 37 126.727 -7.535 15.940 1.00 0.00 H new ATOM 602 N LYS A 38 123.350 -0.965 15.418 1.00 0.00 N ATOM 603 CA LYS A 38 123.265 -0.091 16.619 1.00 0.00 C ATOM 604 C LYS A 38 122.001 -0.473 17.394 1.00 0.00 C ATOM 605 O LYS A 38 122.051 -0.754 18.575 1.00 0.00 O ATOM 606 CB LYS A 38 123.181 1.372 16.181 1.00 0.00 C ATOM 607 CG LYS A 38 123.221 2.273 17.417 1.00 0.00 C ATOM 608 CD LYS A 38 123.139 3.739 16.988 1.00 0.00 C ATOM 609 CE LYS A 38 123.277 4.637 18.218 1.00 0.00 C ATOM 610 NZ LYS A 38 122.171 4.345 19.175 1.00 0.00 N ATOM 0 H LYS A 38 123.496 -0.482 14.532 1.00 0.00 H new ATOM 0 HA LYS A 38 124.146 -0.219 17.248 1.00 0.00 H new ATOM 0 HB2 LYS A 38 124.010 1.612 15.515 1.00 0.00 H new ATOM 0 HB3 LYS A 38 122.262 1.544 15.621 1.00 0.00 H new ATOM 0 HG2 LYS A 38 122.392 2.032 18.082 1.00 0.00 H new ATOM 0 HG3 LYS A 38 124.140 2.099 17.977 1.00 0.00 H new ATOM 0 HD2 LYS A 38 123.927 3.964 16.270 1.00 0.00 H new ATOM 0 HD3 LYS A 38 122.189 3.931 16.489 1.00 0.00 H new ATOM 0 HE2 LYS A 38 124.241 4.469 18.698 1.00 0.00 H new ATOM 0 HE3 LYS A 38 123.248 5.685 17.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 122.065 5.141 19.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 121.284 4.211 18.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 122.392 3.479 19.707 1.00 0.00 H new ATOM 624 N ARG A 39 120.878 -0.538 16.727 1.00 0.00 N ATOM 625 CA ARG A 39 119.637 -0.967 17.427 1.00 0.00 C ATOM 626 C ARG A 39 119.781 -2.456 17.742 1.00 0.00 C ATOM 627 O ARG A 39 119.418 -2.917 18.805 1.00 0.00 O ATOM 628 CB ARG A 39 118.411 -0.735 16.542 1.00 0.00 C ATOM 629 CG ARG A 39 118.148 0.765 16.403 1.00 0.00 C ATOM 630 CD ARG A 39 116.894 0.975 15.555 1.00 0.00 C ATOM 631 NE ARG A 39 116.715 2.425 15.264 1.00 0.00 N ATOM 632 CZ ARG A 39 115.730 2.816 14.502 1.00 0.00 C ATOM 633 NH1 ARG A 39 114.504 2.762 14.944 1.00 0.00 N ATOM 634 NH2 ARG A 39 115.972 3.255 13.298 1.00 0.00 N ATOM 0 H ARG A 39 120.769 -0.314 15.738 1.00 0.00 H new ATOM 0 HA ARG A 39 119.500 -0.388 18.340 1.00 0.00 H new ATOM 0 HB2 ARG A 39 118.572 -1.178 15.559 1.00 0.00 H new ATOM 0 HB3 ARG A 39 117.540 -1.227 16.975 1.00 0.00 H new ATOM 0 HG2 ARG A 39 118.017 1.217 17.386 1.00 0.00 H new ATOM 0 HG3 ARG A 39 119.003 1.255 15.938 1.00 0.00 H new ATOM 0 HD2 ARG A 39 116.977 0.416 14.623 1.00 0.00 H new ATOM 0 HD3 ARG A 39 116.020 0.590 16.081 1.00 0.00 H new ATOM 0 HE ARG A 39 117.360 3.110 15.659 1.00 0.00 H new ATOM 0 HH11 ARG A 39 114.316 2.414 15.884 1.00 0.00 H new ATOM 0 HH12 ARG A 39 113.734 3.067 14.349 1.00 0.00 H new ATOM 0 HH21 ARG A 39 116.931 3.293 12.952 1.00 0.00 H new ATOM 0 HH22 ARG A 39 115.202 3.561 12.702 1.00 0.00 H new ATOM 648 N GLY A 40 120.345 -3.206 16.819 1.00 0.00 N ATOM 649 CA GLY A 40 120.565 -4.671 17.046 1.00 0.00 C ATOM 650 C GLY A 40 119.627 -5.528 16.185 1.00 0.00 C ATOM 651 O GLY A 40 119.793 -6.729 16.119 1.00 0.00 O ATOM 0 H GLY A 40 120.663 -2.861 15.913 1.00 0.00 H new ATOM 0 HA2 GLY A 40 121.600 -4.923 16.817 1.00 0.00 H new ATOM 0 HA3 GLY A 40 120.406 -4.904 18.099 1.00 0.00 H new ATOM 655 N THR A 41 118.642 -4.944 15.530 1.00 0.00 N ATOM 656 CA THR A 41 117.699 -5.768 14.688 1.00 0.00 C ATOM 657 C THR A 41 117.900 -5.466 13.186 1.00 0.00 C ATOM 658 O THR A 41 118.335 -4.390 12.825 1.00 0.00 O ATOM 659 CB THR A 41 116.243 -5.438 15.086 1.00 0.00 C ATOM 660 OG1 THR A 41 116.179 -4.097 15.549 1.00 0.00 O ATOM 661 CG2 THR A 41 115.771 -6.380 16.200 1.00 0.00 C ATOM 0 H THR A 41 118.450 -3.942 15.541 1.00 0.00 H new ATOM 0 HA THR A 41 117.906 -6.824 14.861 1.00 0.00 H new ATOM 0 HB THR A 41 115.598 -5.565 14.216 1.00 0.00 H new ATOM 0 HG1 THR A 41 115.257 -3.882 15.801 1.00 0.00 H new ATOM 0 HG21 THR A 41 114.744 -6.137 16.471 1.00 0.00 H new ATOM 0 HG22 THR A 41 115.819 -7.411 15.850 1.00 0.00 H new ATOM 0 HG23 THR A 41 116.414 -6.263 17.072 1.00 0.00 H new ATOM 669 N PRO A 42 117.566 -6.405 12.311 1.00 0.00 N ATOM 670 CA PRO A 42 117.708 -6.176 10.843 1.00 0.00 C ATOM 671 C PRO A 42 116.920 -4.936 10.377 1.00 0.00 C ATOM 672 O PRO A 42 116.745 -3.983 11.109 1.00 0.00 O ATOM 673 CB PRO A 42 117.121 -7.477 10.236 1.00 0.00 C ATOM 674 CG PRO A 42 116.642 -8.389 11.382 1.00 0.00 C ATOM 675 CD PRO A 42 117.043 -7.745 12.717 1.00 0.00 C ATOM 0 HA PRO A 42 118.737 -5.980 10.540 1.00 0.00 H new ATOM 0 HB2 PRO A 42 116.291 -7.241 9.570 1.00 0.00 H new ATOM 0 HB3 PRO A 42 117.875 -7.988 9.638 1.00 0.00 H new ATOM 0 HG2 PRO A 42 115.561 -8.521 11.335 1.00 0.00 H new ATOM 0 HG3 PRO A 42 117.088 -9.379 11.290 1.00 0.00 H new ATOM 0 HD2 PRO A 42 116.192 -7.657 13.392 1.00 0.00 H new ATOM 0 HD3 PRO A 42 117.801 -8.332 13.235 1.00 0.00 H new ATOM 683 N ILE A 43 116.443 -4.957 9.162 1.00 0.00 N ATOM 684 CA ILE A 43 115.663 -3.807 8.626 1.00 0.00 C ATOM 685 C ILE A 43 114.243 -3.846 9.219 1.00 0.00 C ATOM 686 O ILE A 43 114.041 -4.347 10.308 1.00 0.00 O ATOM 687 CB ILE A 43 115.673 -3.905 7.079 1.00 0.00 C ATOM 688 CG1 ILE A 43 115.589 -2.494 6.449 1.00 0.00 C ATOM 689 CG2 ILE A 43 114.515 -4.788 6.563 1.00 0.00 C ATOM 690 CD1 ILE A 43 116.985 -1.852 6.396 1.00 0.00 C ATOM 0 H ILE A 43 116.563 -5.733 8.510 1.00 0.00 H new ATOM 0 HA ILE A 43 116.100 -2.849 8.908 1.00 0.00 H new ATOM 0 HB ILE A 43 116.612 -4.372 6.781 1.00 0.00 H new ATOM 0 HG12 ILE A 43 115.173 -2.561 5.444 1.00 0.00 H new ATOM 0 HG13 ILE A 43 114.914 -1.867 7.032 1.00 0.00 H new ATOM 0 HG21 ILE A 43 114.551 -4.836 5.475 1.00 0.00 H new ATOM 0 HG22 ILE A 43 114.613 -5.793 6.974 1.00 0.00 H new ATOM 0 HG23 ILE A 43 113.563 -4.359 6.876 1.00 0.00 H new ATOM 0 HD11 ILE A 43 116.912 -0.860 5.951 1.00 0.00 H new ATOM 0 HD12 ILE A 43 117.385 -1.768 7.406 1.00 0.00 H new ATOM 0 HD13 ILE A 43 117.648 -2.473 5.793 1.00 0.00 H new ATOM 702 N ASN A 44 113.262 -3.310 8.541 1.00 0.00 N ATOM 703 CA ASN A 44 111.879 -3.315 9.111 1.00 0.00 C ATOM 704 C ASN A 44 111.162 -4.627 8.770 1.00 0.00 C ATOM 705 O ASN A 44 110.948 -5.458 9.631 1.00 0.00 O ATOM 706 CB ASN A 44 111.085 -2.140 8.538 1.00 0.00 C ATOM 707 CG ASN A 44 109.775 -1.989 9.314 1.00 0.00 C ATOM 708 OD1 ASN A 44 109.670 -2.428 10.442 1.00 0.00 O ATOM 709 ND2 ASN A 44 108.765 -1.382 8.755 1.00 0.00 N ATOM 0 H ASN A 44 113.355 -2.872 7.625 1.00 0.00 H new ATOM 0 HA ASN A 44 111.948 -3.222 10.195 1.00 0.00 H new ATOM 0 HB2 ASN A 44 111.670 -1.223 8.607 1.00 0.00 H new ATOM 0 HB3 ASN A 44 110.878 -2.307 7.481 1.00 0.00 H new ATOM 0 HD21 ASN A 44 107.888 -1.276 9.265 1.00 0.00 H new ATOM 0 HD22 ASN A 44 108.852 -1.013 7.808 1.00 0.00 H new ATOM 716 N ARG A 45 110.783 -4.827 7.528 1.00 0.00 N ATOM 717 CA ARG A 45 110.074 -6.095 7.150 1.00 0.00 C ATOM 718 C ARG A 45 110.608 -6.618 5.817 1.00 0.00 C ATOM 719 O ARG A 45 111.034 -5.865 4.964 1.00 0.00 O ATOM 720 CB ARG A 45 108.570 -5.833 7.043 1.00 0.00 C ATOM 721 CG ARG A 45 108.008 -5.583 8.445 1.00 0.00 C ATOM 722 CD ARG A 45 106.501 -5.338 8.364 1.00 0.00 C ATOM 723 NE ARG A 45 105.993 -4.960 9.719 1.00 0.00 N ATOM 724 CZ ARG A 45 105.056 -4.059 9.848 1.00 0.00 C ATOM 725 NH1 ARG A 45 103.951 -4.161 9.162 1.00 0.00 N ATOM 726 NH2 ARG A 45 105.224 -3.055 10.663 1.00 0.00 N ATOM 0 H ARG A 45 110.933 -4.170 6.762 1.00 0.00 H new ATOM 0 HA ARG A 45 110.253 -6.846 7.919 1.00 0.00 H new ATOM 0 HB2 ARG A 45 108.382 -4.971 6.403 1.00 0.00 H new ATOM 0 HB3 ARG A 45 108.071 -6.686 6.584 1.00 0.00 H new ATOM 0 HG2 ARG A 45 108.212 -6.440 9.087 1.00 0.00 H new ATOM 0 HG3 ARG A 45 108.502 -4.722 8.896 1.00 0.00 H new ATOM 0 HD2 ARG A 45 106.287 -4.545 7.648 1.00 0.00 H new ATOM 0 HD3 ARG A 45 105.993 -6.234 8.009 1.00 0.00 H new ATOM 0 HE ARG A 45 106.381 -5.409 10.549 1.00 0.00 H new ATOM 0 HH11 ARG A 45 103.818 -4.945 8.524 1.00 0.00 H new ATOM 0 HH12 ARG A 45 103.220 -3.457 9.264 1.00 0.00 H new ATOM 0 HH21 ARG A 45 106.087 -2.973 11.200 1.00 0.00 H new ATOM 0 HH22 ARG A 45 104.492 -2.352 10.763 1.00 0.00 H new ATOM 740 N LEU A 46 110.599 -7.916 5.647 1.00 0.00 N ATOM 741 CA LEU A 46 111.117 -8.536 4.389 1.00 0.00 C ATOM 742 C LEU A 46 110.144 -9.635 3.917 1.00 0.00 C ATOM 743 O LEU A 46 110.256 -10.766 4.346 1.00 0.00 O ATOM 744 CB LEU A 46 112.469 -9.179 4.691 1.00 0.00 C ATOM 745 CG LEU A 46 113.481 -8.095 5.080 1.00 0.00 C ATOM 746 CD1 LEU A 46 114.756 -8.765 5.591 1.00 0.00 C ATOM 747 CD2 LEU A 46 113.803 -7.199 3.862 1.00 0.00 C ATOM 0 H LEU A 46 110.250 -8.582 6.336 1.00 0.00 H new ATOM 0 HA LEU A 46 111.215 -7.776 3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 46 112.366 -9.902 5.501 1.00 0.00 H new ATOM 0 HB3 LEU A 46 112.825 -9.726 3.818 1.00 0.00 H new ATOM 0 HG LEU A 46 113.057 -7.468 5.864 1.00 0.00 H new ATOM 0 HD11 LEU A 46 115.482 -8.001 5.870 1.00 0.00 H new ATOM 0 HD12 LEU A 46 114.521 -9.378 6.461 1.00 0.00 H new ATOM 0 HD13 LEU A 46 115.176 -9.395 4.806 1.00 0.00 H new ATOM 0 HD21 LEU A 46 114.523 -6.434 4.153 1.00 0.00 H new ATOM 0 HD22 LEU A 46 114.225 -7.809 3.063 1.00 0.00 H new ATOM 0 HD23 LEU A 46 112.889 -6.722 3.510 1.00 0.00 H new ATOM 759 N PRO A 47 109.194 -9.333 3.053 1.00 0.00 N ATOM 760 CA PRO A 47 108.238 -10.381 2.589 1.00 0.00 C ATOM 761 C PRO A 47 108.953 -11.515 1.836 1.00 0.00 C ATOM 762 O PRO A 47 110.102 -11.392 1.460 1.00 0.00 O ATOM 763 CB PRO A 47 107.271 -9.590 1.682 1.00 0.00 C ATOM 764 CG PRO A 47 107.704 -8.107 1.676 1.00 0.00 C ATOM 765 CD PRO A 47 109.008 -7.969 2.485 1.00 0.00 C ATOM 0 HA PRO A 47 107.727 -10.890 3.406 1.00 0.00 H new ATOM 0 HB2 PRO A 47 107.287 -9.993 0.669 1.00 0.00 H new ATOM 0 HB3 PRO A 47 106.248 -9.684 2.046 1.00 0.00 H new ATOM 0 HG2 PRO A 47 107.856 -7.762 0.653 1.00 0.00 H new ATOM 0 HG3 PRO A 47 106.922 -7.484 2.110 1.00 0.00 H new ATOM 0 HD2 PRO A 47 109.847 -7.677 1.853 1.00 0.00 H new ATOM 0 HD3 PRO A 47 108.920 -7.214 3.267 1.00 0.00 H new ATOM 773 N ILE A 48 108.282 -12.621 1.625 1.00 0.00 N ATOM 774 CA ILE A 48 108.910 -13.776 0.914 1.00 0.00 C ATOM 775 C ILE A 48 108.323 -13.875 -0.491 1.00 0.00 C ATOM 776 O ILE A 48 107.124 -13.938 -0.676 1.00 0.00 O ATOM 777 CB ILE A 48 108.599 -15.065 1.674 1.00 0.00 C ATOM 778 CG1 ILE A 48 108.966 -14.900 3.156 1.00 0.00 C ATOM 779 CG2 ILE A 48 109.399 -16.222 1.073 1.00 0.00 C ATOM 780 CD1 ILE A 48 110.408 -14.395 3.295 1.00 0.00 C ATOM 0 H ILE A 48 107.317 -12.773 1.918 1.00 0.00 H new ATOM 0 HA ILE A 48 109.989 -13.631 0.858 1.00 0.00 H new ATOM 0 HB ILE A 48 107.534 -15.280 1.591 1.00 0.00 H new ATOM 0 HG12 ILE A 48 108.280 -14.198 3.631 1.00 0.00 H new ATOM 0 HG13 ILE A 48 108.856 -15.853 3.673 1.00 0.00 H new ATOM 0 HG21 ILE A 48 109.176 -17.140 1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 48 109.128 -16.346 0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 48 110.465 -16.006 1.149 1.00 0.00 H new ATOM 0 HD11 ILE A 48 110.654 -14.283 4.351 1.00 0.00 H new ATOM 0 HD12 ILE A 48 111.090 -15.112 2.838 1.00 0.00 H new ATOM 0 HD13 ILE A 48 110.506 -13.431 2.795 1.00 0.00 H new ATOM 841 N SER A 52 111.225 -17.605 -2.893 1.00 0.00 N ATOM 842 CA SER A 52 112.365 -16.643 -2.978 1.00 0.00 C ATOM 843 C SER A 52 112.186 -15.599 -1.876 1.00 0.00 C ATOM 844 O SER A 52 111.174 -15.573 -1.204 1.00 0.00 O ATOM 845 CB SER A 52 112.375 -15.964 -4.352 1.00 0.00 C ATOM 846 OG SER A 52 112.070 -16.925 -5.353 1.00 0.00 O ATOM 0 HA SER A 52 113.313 -17.166 -2.849 1.00 0.00 H new ATOM 0 HB2 SER A 52 111.646 -15.154 -4.375 1.00 0.00 H new ATOM 0 HB3 SER A 52 113.352 -15.520 -4.544 1.00 0.00 H new ATOM 0 HG SER A 52 111.377 -17.534 -5.022 1.00 0.00 H new ATOM 852 N VAL A 53 113.163 -14.754 -1.669 1.00 0.00 N ATOM 853 CA VAL A 53 113.059 -13.722 -0.589 1.00 0.00 C ATOM 854 C VAL A 53 113.394 -12.342 -1.158 1.00 0.00 C ATOM 855 O VAL A 53 114.310 -12.188 -1.940 1.00 0.00 O ATOM 856 CB VAL A 53 114.052 -14.080 0.521 1.00 0.00 C ATOM 857 CG1 VAL A 53 115.488 -13.886 0.016 1.00 0.00 C ATOM 858 CG2 VAL A 53 113.800 -13.186 1.736 1.00 0.00 C ATOM 0 H VAL A 53 114.032 -14.733 -2.202 1.00 0.00 H new ATOM 0 HA VAL A 53 112.045 -13.699 -0.190 1.00 0.00 H new ATOM 0 HB VAL A 53 113.916 -15.123 0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 53 116.190 -14.142 0.809 1.00 0.00 H new ATOM 0 HG12 VAL A 53 115.661 -14.532 -0.845 1.00 0.00 H new ATOM 0 HG13 VAL A 53 115.634 -12.846 -0.276 1.00 0.00 H new ATOM 0 HG21 VAL A 53 114.506 -13.440 2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 53 113.932 -12.142 1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 53 112.782 -13.339 2.095 1.00 0.00 H new ATOM 868 N LEU A 54 112.655 -11.335 -0.772 1.00 0.00 N ATOM 869 CA LEU A 54 112.936 -9.969 -1.296 1.00 0.00 C ATOM 870 C LEU A 54 114.313 -9.524 -0.811 1.00 0.00 C ATOM 871 O LEU A 54 114.460 -9.019 0.284 1.00 0.00 O ATOM 872 CB LEU A 54 111.870 -8.990 -0.781 1.00 0.00 C ATOM 873 CG LEU A 54 112.184 -7.554 -1.240 1.00 0.00 C ATOM 874 CD1 LEU A 54 112.196 -7.480 -2.774 1.00 0.00 C ATOM 875 CD2 LEU A 54 111.112 -6.606 -0.691 1.00 0.00 C ATOM 0 H LEU A 54 111.873 -11.400 -0.120 1.00 0.00 H new ATOM 0 HA LEU A 54 112.915 -9.982 -2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 54 110.888 -9.288 -1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 54 111.829 -9.029 0.308 1.00 0.00 H new ATOM 0 HG LEU A 54 113.165 -7.263 -0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 54 112.419 -6.460 -3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 54 112.958 -8.154 -3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 54 111.220 -7.773 -3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.328 -5.587 -1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 54 110.134 -6.905 -1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 54 111.110 -6.650 0.398 1.00 0.00 H new ATOM 887 N ASP A 55 115.322 -9.692 -1.616 1.00 0.00 N ATOM 888 CA ASP A 55 116.677 -9.258 -1.188 1.00 0.00 C ATOM 889 C ASP A 55 116.723 -7.728 -1.166 1.00 0.00 C ATOM 890 O ASP A 55 116.647 -7.082 -2.192 1.00 0.00 O ATOM 891 CB ASP A 55 117.724 -9.786 -2.170 1.00 0.00 C ATOM 892 CG ASP A 55 119.119 -9.550 -1.591 1.00 0.00 C ATOM 893 OD1 ASP A 55 119.236 -8.720 -0.704 1.00 0.00 O ATOM 894 OD2 ASP A 55 120.045 -10.203 -2.041 1.00 0.00 O ATOM 0 H ASP A 55 115.268 -10.108 -2.546 1.00 0.00 H new ATOM 0 HA ASP A 55 116.891 -9.651 -0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 55 117.567 -10.849 -2.351 1.00 0.00 H new ATOM 0 HB3 ASP A 55 117.626 -9.281 -3.131 1.00 0.00 H new ATOM 899 N LEU A 56 116.847 -7.139 -0.008 1.00 0.00 N ATOM 900 CA LEU A 56 116.896 -5.651 0.062 1.00 0.00 C ATOM 901 C LEU A 56 117.970 -5.135 -0.898 1.00 0.00 C ATOM 902 O LEU A 56 117.959 -3.989 -1.305 1.00 0.00 O ATOM 903 CB LEU A 56 117.222 -5.206 1.498 1.00 0.00 C ATOM 904 CG LEU A 56 118.550 -5.854 1.992 1.00 0.00 C ATOM 905 CD1 LEU A 56 119.390 -4.822 2.760 1.00 0.00 C ATOM 906 CD2 LEU A 56 118.252 -7.035 2.927 1.00 0.00 C ATOM 0 H LEU A 56 116.916 -7.621 0.888 1.00 0.00 H new ATOM 0 HA LEU A 56 115.927 -5.242 -0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 56 117.306 -4.120 1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 56 116.406 -5.486 2.164 1.00 0.00 H new ATOM 0 HG LEU A 56 119.101 -6.205 1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 56 120.315 -5.287 3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 56 119.625 -3.983 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 56 118.827 -4.463 3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 56 119.189 -7.478 3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 56 117.686 -6.683 3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 56 117.669 -7.784 2.392 1.00 0.00 H new ATOM 918 N TYR A 57 118.898 -5.976 -1.261 1.00 0.00 N ATOM 919 CA TYR A 57 119.979 -5.552 -2.193 1.00 0.00 C ATOM 920 C TYR A 57 119.343 -5.102 -3.518 1.00 0.00 C ATOM 921 O TYR A 57 119.752 -4.129 -4.122 1.00 0.00 O ATOM 922 CB TYR A 57 120.919 -6.754 -2.433 1.00 0.00 C ATOM 923 CG TYR A 57 122.328 -6.291 -2.768 1.00 0.00 C ATOM 924 CD1 TYR A 57 122.558 -5.474 -3.883 1.00 0.00 C ATOM 925 CD2 TYR A 57 123.410 -6.687 -1.963 1.00 0.00 C ATOM 926 CE1 TYR A 57 123.853 -5.051 -4.190 1.00 0.00 C ATOM 927 CE2 TYR A 57 124.709 -6.265 -2.273 1.00 0.00 C ATOM 928 CZ TYR A 57 124.930 -5.444 -3.386 1.00 0.00 C ATOM 929 OH TYR A 57 126.210 -5.028 -3.692 1.00 0.00 O ATOM 0 H TYR A 57 118.954 -6.946 -0.950 1.00 0.00 H new ATOM 0 HA TYR A 57 120.550 -4.724 -1.772 1.00 0.00 H new ATOM 0 HB2 TYR A 57 120.942 -7.384 -1.544 1.00 0.00 H new ATOM 0 HB3 TYR A 57 120.531 -7.366 -3.247 1.00 0.00 H new ATOM 0 HD1 TYR A 57 121.731 -5.170 -4.507 1.00 0.00 H new ATOM 0 HD2 TYR A 57 123.239 -7.318 -1.103 1.00 0.00 H new ATOM 0 HE1 TYR A 57 124.024 -4.419 -5.049 1.00 0.00 H new ATOM 0 HE2 TYR A 57 125.539 -6.572 -1.655 1.00 0.00 H new ATOM 0 HH TYR A 57 126.797 -5.183 -2.923 1.00 0.00 H new ATOM 939 N GLU A 58 118.340 -5.805 -3.973 1.00 0.00 N ATOM 940 CA GLU A 58 117.688 -5.430 -5.260 1.00 0.00 C ATOM 941 C GLU A 58 117.123 -4.013 -5.159 1.00 0.00 C ATOM 942 O GLU A 58 117.271 -3.214 -6.061 1.00 0.00 O ATOM 943 CB GLU A 58 116.553 -6.420 -5.558 1.00 0.00 C ATOM 944 CG GLU A 58 115.863 -6.061 -6.882 1.00 0.00 C ATOM 945 CD GLU A 58 116.877 -6.121 -8.027 1.00 0.00 C ATOM 946 OE1 GLU A 58 117.824 -6.882 -7.916 1.00 0.00 O ATOM 947 OE2 GLU A 58 116.686 -5.406 -8.997 1.00 0.00 O ATOM 0 H GLU A 58 117.945 -6.623 -3.509 1.00 0.00 H new ATOM 0 HA GLU A 58 118.423 -5.463 -6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 58 116.951 -7.434 -5.611 1.00 0.00 H new ATOM 0 HB3 GLU A 58 115.826 -6.405 -4.746 1.00 0.00 H new ATOM 0 HG2 GLU A 58 115.042 -6.752 -7.074 1.00 0.00 H new ATOM 0 HG3 GLU A 58 115.431 -5.062 -6.819 1.00 0.00 H new ATOM 954 N LEU A 59 116.493 -3.678 -4.067 1.00 0.00 N ATOM 955 CA LEU A 59 115.951 -2.298 -3.936 1.00 0.00 C ATOM 956 C LEU A 59 117.120 -1.328 -4.048 1.00 0.00 C ATOM 957 O LEU A 59 117.077 -0.358 -4.779 1.00 0.00 O ATOM 958 CB LEU A 59 115.268 -2.123 -2.566 1.00 0.00 C ATOM 959 CG LEU A 59 114.855 -0.652 -2.349 1.00 0.00 C ATOM 960 CD1 LEU A 59 113.870 -0.217 -3.442 1.00 0.00 C ATOM 961 CD2 LEU A 59 114.197 -0.499 -0.970 1.00 0.00 C ATOM 0 H LEU A 59 116.332 -4.292 -3.269 1.00 0.00 H new ATOM 0 HA LEU A 59 115.213 -2.109 -4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 59 114.390 -2.766 -2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 59 115.946 -2.437 -1.773 1.00 0.00 H new ATOM 0 HG LEU A 59 115.743 -0.022 -2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 59 113.584 0.822 -3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 59 114.343 -0.316 -4.419 1.00 0.00 H new ATOM 0 HD13 LEU A 59 112.982 -0.848 -3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 59 113.906 0.541 -0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 59 113.313 -1.135 -0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 59 114.904 -0.794 -0.195 1.00 0.00 H new ATOM 973 N TYR A 60 118.157 -1.577 -3.304 1.00 0.00 N ATOM 974 CA TYR A 60 119.330 -0.672 -3.331 1.00 0.00 C ATOM 975 C TYR A 60 119.929 -0.598 -4.746 1.00 0.00 C ATOM 976 O TYR A 60 120.179 0.475 -5.259 1.00 0.00 O ATOM 977 CB TYR A 60 120.384 -1.171 -2.336 1.00 0.00 C ATOM 978 CG TYR A 60 121.432 -0.101 -2.185 1.00 0.00 C ATOM 979 CD1 TYR A 60 121.073 1.133 -1.637 1.00 0.00 C ATOM 980 CD2 TYR A 60 122.744 -0.318 -2.622 1.00 0.00 C ATOM 981 CE1 TYR A 60 122.012 2.146 -1.529 1.00 0.00 C ATOM 982 CE2 TYR A 60 123.693 0.702 -2.501 1.00 0.00 C ATOM 983 CZ TYR A 60 123.322 1.937 -1.955 1.00 0.00 C ATOM 984 OH TYR A 60 124.236 2.958 -1.854 1.00 0.00 O ATOM 0 H TYR A 60 118.241 -2.375 -2.674 1.00 0.00 H new ATOM 0 HA TYR A 60 119.008 0.330 -3.046 1.00 0.00 H new ATOM 0 HB2 TYR A 60 119.924 -1.391 -1.373 1.00 0.00 H new ATOM 0 HB3 TYR A 60 120.835 -2.097 -2.692 1.00 0.00 H new ATOM 0 HD1 TYR A 60 120.061 1.298 -1.297 1.00 0.00 H new ATOM 0 HD2 TYR A 60 123.022 -1.269 -3.051 1.00 0.00 H new ATOM 0 HE1 TYR A 60 121.727 3.101 -1.113 1.00 0.00 H new ATOM 0 HE2 TYR A 60 124.709 0.538 -2.828 1.00 0.00 H new ATOM 0 HH TYR A 60 125.140 2.601 -1.977 1.00 0.00 H new ATOM 994 N ASN A 61 120.184 -1.718 -5.377 1.00 0.00 N ATOM 995 CA ASN A 61 120.789 -1.680 -6.746 1.00 0.00 C ATOM 996 C ASN A 61 119.868 -0.919 -7.722 1.00 0.00 C ATOM 997 O ASN A 61 120.320 -0.091 -8.487 1.00 0.00 O ATOM 998 CB ASN A 61 121.045 -3.133 -7.226 1.00 0.00 C ATOM 999 CG ASN A 61 119.927 -3.628 -8.158 1.00 0.00 C ATOM 1000 OD1 ASN A 61 118.815 -3.852 -7.727 1.00 0.00 O ATOM 1001 ND2 ASN A 61 120.184 -3.805 -9.425 1.00 0.00 N ATOM 0 H ASN A 61 120.001 -2.651 -5.007 1.00 0.00 H new ATOM 0 HA ASN A 61 121.739 -1.147 -6.715 1.00 0.00 H new ATOM 0 HB2 ASN A 61 122.001 -3.181 -7.747 1.00 0.00 H new ATOM 0 HB3 ASN A 61 121.119 -3.794 -6.363 1.00 0.00 H new ATOM 0 HD21 ASN A 61 119.450 -4.132 -10.053 1.00 0.00 H new ATOM 0 HD22 ASN A 61 121.119 -3.617 -9.787 1.00 0.00 H new ATOM 1008 N LEU A 62 118.589 -1.187 -7.704 1.00 0.00 N ATOM 1009 CA LEU A 62 117.665 -0.465 -8.635 1.00 0.00 C ATOM 1010 C LEU A 62 117.735 1.038 -8.359 1.00 0.00 C ATOM 1011 O LEU A 62 117.704 1.849 -9.263 1.00 0.00 O ATOM 1012 CB LEU A 62 116.222 -0.942 -8.420 1.00 0.00 C ATOM 1013 CG LEU A 62 116.026 -2.358 -8.987 1.00 0.00 C ATOM 1014 CD1 LEU A 62 114.662 -2.893 -8.533 1.00 0.00 C ATOM 1015 CD2 LEU A 62 116.076 -2.332 -10.532 1.00 0.00 C ATOM 0 H LEU A 62 118.144 -1.869 -7.090 1.00 0.00 H new ATOM 0 HA LEU A 62 117.967 -0.672 -9.662 1.00 0.00 H new ATOM 0 HB2 LEU A 62 115.987 -0.936 -7.356 1.00 0.00 H new ATOM 0 HB3 LEU A 62 115.530 -0.252 -8.904 1.00 0.00 H new ATOM 0 HG LEU A 62 116.825 -3.003 -8.621 1.00 0.00 H new ATOM 0 HD11 LEU A 62 114.514 -3.897 -8.931 1.00 0.00 H new ATOM 0 HD12 LEU A 62 114.628 -2.925 -7.444 1.00 0.00 H new ATOM 0 HD13 LEU A 62 113.873 -2.237 -8.901 1.00 0.00 H new ATOM 0 HD21 LEU A 62 115.936 -3.342 -10.918 1.00 0.00 H new ATOM 0 HD22 LEU A 62 115.284 -1.686 -10.911 1.00 0.00 H new ATOM 0 HD23 LEU A 62 117.043 -1.950 -10.858 1.00 0.00 H new ATOM 1027 N VAL A 63 117.806 1.411 -7.115 1.00 0.00 N ATOM 1028 CA VAL A 63 117.850 2.857 -6.760 1.00 0.00 C ATOM 1029 C VAL A 63 119.068 3.532 -7.409 1.00 0.00 C ATOM 1030 O VAL A 63 118.925 4.447 -8.196 1.00 0.00 O ATOM 1031 CB VAL A 63 117.914 2.964 -5.227 1.00 0.00 C ATOM 1032 CG1 VAL A 63 118.396 4.358 -4.794 1.00 0.00 C ATOM 1033 CG2 VAL A 63 116.514 2.694 -4.652 1.00 0.00 C ATOM 0 H VAL A 63 117.836 0.772 -6.321 1.00 0.00 H new ATOM 0 HA VAL A 63 116.961 3.367 -7.131 1.00 0.00 H new ATOM 0 HB VAL A 63 118.624 2.229 -4.848 1.00 0.00 H new ATOM 0 HG11 VAL A 63 118.433 4.409 -3.706 1.00 0.00 H new ATOM 0 HG12 VAL A 63 119.391 4.541 -5.200 1.00 0.00 H new ATOM 0 HG13 VAL A 63 117.706 5.114 -5.169 1.00 0.00 H new ATOM 0 HG21 VAL A 63 116.547 2.767 -3.565 1.00 0.00 H new ATOM 0 HG22 VAL A 63 115.812 3.429 -5.044 1.00 0.00 H new ATOM 0 HG23 VAL A 63 116.190 1.694 -4.939 1.00 0.00 H new ATOM 1043 N ILE A 64 120.259 3.106 -7.094 1.00 0.00 N ATOM 1044 CA ILE A 64 121.457 3.751 -7.709 1.00 0.00 C ATOM 1045 C ILE A 64 121.402 3.602 -9.233 1.00 0.00 C ATOM 1046 O ILE A 64 121.744 4.509 -9.965 1.00 0.00 O ATOM 1047 CB ILE A 64 122.728 3.079 -7.177 1.00 0.00 C ATOM 1048 CG1 ILE A 64 122.909 3.430 -5.700 1.00 0.00 C ATOM 1049 CG2 ILE A 64 123.947 3.568 -7.967 1.00 0.00 C ATOM 1050 CD1 ILE A 64 124.002 2.543 -5.102 1.00 0.00 C ATOM 0 H ILE A 64 120.456 2.346 -6.443 1.00 0.00 H new ATOM 0 HA ILE A 64 121.467 4.810 -7.451 1.00 0.00 H new ATOM 0 HB ILE A 64 122.635 1.999 -7.290 1.00 0.00 H new ATOM 0 HG12 ILE A 64 123.178 4.481 -5.594 1.00 0.00 H new ATOM 0 HG13 ILE A 64 121.972 3.285 -5.162 1.00 0.00 H new ATOM 0 HG21 ILE A 64 124.846 3.086 -7.583 1.00 0.00 H new ATOM 0 HG22 ILE A 64 123.822 3.317 -9.020 1.00 0.00 H new ATOM 0 HG23 ILE A 64 124.040 4.649 -7.860 1.00 0.00 H new ATOM 0 HD11 ILE A 64 124.135 2.790 -4.049 1.00 0.00 H new ATOM 0 HD12 ILE A 64 123.713 1.496 -5.196 1.00 0.00 H new ATOM 0 HD13 ILE A 64 124.938 2.710 -5.635 1.00 0.00 H new ATOM 1062 N ALA A 65 120.988 2.464 -9.717 1.00 0.00 N ATOM 1063 CA ALA A 65 120.931 2.262 -11.193 1.00 0.00 C ATOM 1064 C ALA A 65 120.124 3.391 -11.841 1.00 0.00 C ATOM 1065 O ALA A 65 120.249 3.653 -13.021 1.00 0.00 O ATOM 1066 CB ALA A 65 120.274 0.913 -11.499 1.00 0.00 C ATOM 0 H ALA A 65 120.687 1.667 -9.156 1.00 0.00 H new ATOM 0 HA ALA A 65 121.943 2.271 -11.598 1.00 0.00 H new ATOM 0 HB1 ALA A 65 120.232 0.765 -12.578 1.00 0.00 H new ATOM 0 HB2 ALA A 65 120.858 0.112 -11.045 1.00 0.00 H new ATOM 0 HB3 ALA A 65 119.263 0.900 -11.092 1.00 0.00 H new ATOM 1072 N ARG A 66 119.303 4.070 -11.080 1.00 0.00 N ATOM 1073 CA ARG A 66 118.497 5.192 -11.654 1.00 0.00 C ATOM 1074 C ARG A 66 119.215 6.520 -11.403 1.00 0.00 C ATOM 1075 O ARG A 66 118.886 7.529 -11.995 1.00 0.00 O ATOM 1076 CB ARG A 66 117.118 5.232 -10.992 1.00 0.00 C ATOM 1077 CG ARG A 66 116.287 4.030 -11.450 1.00 0.00 C ATOM 1078 CD ARG A 66 114.912 4.071 -10.775 1.00 0.00 C ATOM 1079 NE ARG A 66 113.967 3.184 -11.510 1.00 0.00 N ATOM 1080 CZ ARG A 66 114.245 1.919 -11.674 1.00 0.00 C ATOM 1081 NH1 ARG A 66 114.049 1.074 -10.697 1.00 0.00 N ATOM 1082 NH2 ARG A 66 114.717 1.499 -12.816 1.00 0.00 N ATOM 0 H ARG A 66 119.156 3.896 -10.086 1.00 0.00 H new ATOM 0 HA ARG A 66 118.380 5.035 -12.726 1.00 0.00 H new ATOM 0 HB2 ARG A 66 117.225 5.220 -9.907 1.00 0.00 H new ATOM 0 HB3 ARG A 66 116.607 6.159 -11.251 1.00 0.00 H new ATOM 0 HG2 ARG A 66 116.172 4.046 -12.534 1.00 0.00 H new ATOM 0 HG3 ARG A 66 116.800 3.102 -11.197 1.00 0.00 H new ATOM 0 HD2 ARG A 66 114.996 3.749 -9.737 1.00 0.00 H new ATOM 0 HD3 ARG A 66 114.532 5.093 -10.762 1.00 0.00 H new ATOM 0 HE ARG A 66 113.100 3.567 -11.886 1.00 0.00 H new ATOM 0 HH11 ARG A 66 113.678 1.402 -9.805 1.00 0.00 H new ATOM 0 HH12 ARG A 66 114.266 0.086 -10.826 1.00 0.00 H new ATOM 0 HH21 ARG A 66 114.868 2.159 -13.579 1.00 0.00 H new ATOM 0 HH22 ARG A 66 114.935 0.511 -12.945 1.00 0.00 H new ATOM 1096 N GLY A 67 120.202 6.526 -10.538 1.00 0.00 N ATOM 1097 CA GLY A 67 120.959 7.788 -10.251 1.00 0.00 C ATOM 1098 C GLY A 67 121.055 8.016 -8.740 1.00 0.00 C ATOM 1099 O GLY A 67 121.961 8.674 -8.265 1.00 0.00 O ATOM 0 H GLY A 67 120.517 5.708 -10.016 1.00 0.00 H new ATOM 0 HA2 GLY A 67 121.959 7.727 -10.681 1.00 0.00 H new ATOM 0 HA3 GLY A 67 120.461 8.635 -10.723 1.00 0.00 H new ATOM 1103 N GLY A 68 120.139 7.482 -7.974 1.00 0.00 N ATOM 1104 CA GLY A 68 120.200 7.679 -6.492 1.00 0.00 C ATOM 1105 C GLY A 68 118.793 7.754 -5.904 1.00 0.00 C ATOM 1106 O GLY A 68 117.835 8.052 -6.589 1.00 0.00 O ATOM 0 H GLY A 68 119.355 6.921 -8.307 1.00 0.00 H new ATOM 0 HA2 GLY A 68 120.749 6.857 -6.032 1.00 0.00 H new ATOM 0 HA3 GLY A 68 120.745 8.595 -6.263 1.00 0.00 H new ATOM 1110 N LEU A 69 118.665 7.492 -4.630 1.00 0.00 N ATOM 1111 CA LEU A 69 117.323 7.556 -3.992 1.00 0.00 C ATOM 1112 C LEU A 69 116.753 8.962 -4.181 1.00 0.00 C ATOM 1113 O LEU A 69 115.577 9.141 -4.432 1.00 0.00 O ATOM 1114 CB LEU A 69 117.459 7.271 -2.491 1.00 0.00 C ATOM 1115 CG LEU A 69 116.064 7.034 -1.874 1.00 0.00 C ATOM 1116 CD1 LEU A 69 115.566 5.615 -2.210 1.00 0.00 C ATOM 1117 CD2 LEU A 69 116.121 7.221 -0.342 1.00 0.00 C ATOM 0 H LEU A 69 119.431 7.237 -4.007 1.00 0.00 H new ATOM 0 HA LEU A 69 116.663 6.818 -4.447 1.00 0.00 H new ATOM 0 HB2 LEU A 69 118.090 6.396 -2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 69 117.948 8.110 -1.995 1.00 0.00 H new ATOM 0 HG LEU A 69 115.369 7.761 -2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 69 114.581 5.461 -1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 69 115.501 5.499 -3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 69 116.263 4.880 -1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 69 115.131 7.051 0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 69 116.826 6.508 0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 69 116.446 8.236 -0.111 1.00 0.00 H new ATOM 1129 N VAL A 70 117.583 9.964 -4.053 1.00 0.00 N ATOM 1130 CA VAL A 70 117.100 11.362 -4.215 1.00 0.00 C ATOM 1131 C VAL A 70 116.600 11.573 -5.643 1.00 0.00 C ATOM 1132 O VAL A 70 115.599 12.225 -5.869 1.00 0.00 O ATOM 1133 CB VAL A 70 118.248 12.340 -3.926 1.00 0.00 C ATOM 1134 CG1 VAL A 70 117.747 13.773 -4.137 1.00 0.00 C ATOM 1135 CG2 VAL A 70 118.745 12.162 -2.471 1.00 0.00 C ATOM 0 H VAL A 70 118.577 9.871 -3.843 1.00 0.00 H new ATOM 0 HA VAL A 70 116.283 11.542 -3.516 1.00 0.00 H new ATOM 0 HB VAL A 70 119.078 12.138 -4.603 1.00 0.00 H new ATOM 0 HG11 VAL A 70 118.556 14.475 -3.934 1.00 0.00 H new ATOM 0 HG12 VAL A 70 117.412 13.893 -5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 70 116.916 13.971 -3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 70 119.559 12.860 -2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 70 117.925 12.359 -1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 70 119.101 11.141 -2.330 1.00 0.00 H new ATOM 1145 N ASP A 71 117.280 11.028 -6.615 1.00 0.00 N ATOM 1146 CA ASP A 71 116.821 11.213 -8.020 1.00 0.00 C ATOM 1147 C ASP A 71 115.446 10.565 -8.175 1.00 0.00 C ATOM 1148 O ASP A 71 114.567 11.088 -8.831 1.00 0.00 O ATOM 1149 CB ASP A 71 117.812 10.550 -8.978 1.00 0.00 C ATOM 1150 CG ASP A 71 119.121 11.344 -8.992 1.00 0.00 C ATOM 1151 OD1 ASP A 71 119.114 12.469 -8.520 1.00 0.00 O ATOM 1152 OD2 ASP A 71 120.107 10.814 -9.477 1.00 0.00 O ATOM 0 H ASP A 71 118.125 10.468 -6.499 1.00 0.00 H new ATOM 0 HA ASP A 71 116.760 12.276 -8.253 1.00 0.00 H new ATOM 0 HB2 ASP A 71 118.001 9.522 -8.668 1.00 0.00 H new ATOM 0 HB3 ASP A 71 117.390 10.507 -9.982 1.00 0.00 H new ATOM 1157 N VAL A 72 115.259 9.427 -7.572 1.00 0.00 N ATOM 1158 CA VAL A 72 113.949 8.728 -7.669 1.00 0.00 C ATOM 1159 C VAL A 72 112.842 9.622 -7.091 1.00 0.00 C ATOM 1160 O VAL A 72 111.800 9.798 -7.690 1.00 0.00 O ATOM 1161 CB VAL A 72 114.035 7.417 -6.877 1.00 0.00 C ATOM 1162 CG1 VAL A 72 112.645 6.787 -6.741 1.00 0.00 C ATOM 1163 CG2 VAL A 72 114.975 6.444 -7.599 1.00 0.00 C ATOM 0 H VAL A 72 115.963 8.947 -7.011 1.00 0.00 H new ATOM 0 HA VAL A 72 113.714 8.513 -8.712 1.00 0.00 H new ATOM 0 HB VAL A 72 114.423 7.629 -5.881 1.00 0.00 H new ATOM 0 HG11 VAL A 72 112.720 5.857 -6.177 1.00 0.00 H new ATOM 0 HG12 VAL A 72 111.983 7.476 -6.217 1.00 0.00 H new ATOM 0 HG13 VAL A 72 112.242 6.578 -7.732 1.00 0.00 H new ATOM 0 HG21 VAL A 72 115.036 5.512 -7.036 1.00 0.00 H new ATOM 0 HG22 VAL A 72 114.590 6.240 -8.598 1.00 0.00 H new ATOM 0 HG23 VAL A 72 115.968 6.887 -7.676 1.00 0.00 H new ATOM 1173 N ILE A 73 113.054 10.182 -5.927 1.00 0.00 N ATOM 1174 CA ILE A 73 112.007 11.053 -5.316 1.00 0.00 C ATOM 1175 C ILE A 73 111.800 12.308 -6.168 1.00 0.00 C ATOM 1176 O ILE A 73 110.688 12.661 -6.510 1.00 0.00 O ATOM 1177 CB ILE A 73 112.452 11.467 -3.913 1.00 0.00 C ATOM 1178 CG1 ILE A 73 112.625 10.215 -3.049 1.00 0.00 C ATOM 1179 CG2 ILE A 73 111.392 12.379 -3.290 1.00 0.00 C ATOM 1180 CD1 ILE A 73 113.303 10.588 -1.729 1.00 0.00 C ATOM 0 H ILE A 73 113.905 10.074 -5.375 1.00 0.00 H new ATOM 0 HA ILE A 73 111.070 10.499 -5.263 1.00 0.00 H new ATOM 0 HB ILE A 73 113.399 12.003 -3.971 1.00 0.00 H new ATOM 0 HG12 ILE A 73 111.654 9.759 -2.854 1.00 0.00 H new ATOM 0 HG13 ILE A 73 113.224 9.475 -3.580 1.00 0.00 H new ATOM 0 HG21 ILE A 73 111.709 12.674 -2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 73 111.268 13.268 -3.909 1.00 0.00 H new ATOM 0 HG23 ILE A 73 110.444 11.845 -3.227 1.00 0.00 H new ATOM 0 HD11 ILE A 73 113.424 9.694 -1.117 1.00 0.00 H new ATOM 0 HD12 ILE A 73 114.281 11.024 -1.933 1.00 0.00 H new ATOM 0 HD13 ILE A 73 112.687 11.312 -1.196 1.00 0.00 H new ATOM 1192 N ASN A 74 112.860 12.985 -6.513 1.00 0.00 N ATOM 1193 CA ASN A 74 112.723 14.218 -7.339 1.00 0.00 C ATOM 1194 C ASN A 74 112.060 13.877 -8.676 1.00 0.00 C ATOM 1195 O ASN A 74 111.219 14.606 -9.162 1.00 0.00 O ATOM 1196 CB ASN A 74 114.109 14.826 -7.573 1.00 0.00 C ATOM 1197 CG ASN A 74 113.979 16.092 -8.421 1.00 0.00 C ATOM 1198 OD1 ASN A 74 112.896 16.612 -8.596 1.00 0.00 O ATOM 1199 ND2 ASN A 74 115.049 16.610 -8.959 1.00 0.00 N ATOM 0 H ASN A 74 113.816 12.738 -6.258 1.00 0.00 H new ATOM 0 HA ASN A 74 112.098 14.942 -6.816 1.00 0.00 H new ATOM 0 HB2 ASN A 74 114.579 15.063 -6.618 1.00 0.00 H new ATOM 0 HB3 ASN A 74 114.753 14.105 -8.075 1.00 0.00 H new ATOM 0 HD21 ASN A 74 114.977 17.454 -9.528 1.00 0.00 H new ATOM 0 HD22 ASN A 74 115.958 16.171 -8.811 1.00 0.00 H new ATOM 1206 N LYS A 75 112.421 12.771 -9.270 1.00 0.00 N ATOM 1207 CA LYS A 75 111.800 12.377 -10.571 1.00 0.00 C ATOM 1208 C LYS A 75 110.560 11.516 -10.320 1.00 0.00 C ATOM 1209 O LYS A 75 109.886 11.102 -11.243 1.00 0.00 O ATOM 1210 CB LYS A 75 112.812 11.595 -11.412 1.00 0.00 C ATOM 1211 CG LYS A 75 113.919 12.537 -11.889 1.00 0.00 C ATOM 1212 CD LYS A 75 114.929 11.751 -12.728 1.00 0.00 C ATOM 1213 CE LYS A 75 116.037 12.691 -13.206 1.00 0.00 C ATOM 1214 NZ LYS A 75 116.969 11.944 -14.097 1.00 0.00 N ATOM 0 H LYS A 75 113.120 12.121 -8.911 1.00 0.00 H new ATOM 0 HA LYS A 75 111.504 13.277 -11.110 1.00 0.00 H new ATOM 0 HB2 LYS A 75 113.240 10.784 -10.823 1.00 0.00 H new ATOM 0 HB3 LYS A 75 112.314 11.140 -12.268 1.00 0.00 H new ATOM 0 HG2 LYS A 75 113.492 13.348 -12.479 1.00 0.00 H new ATOM 0 HG3 LYS A 75 114.417 12.993 -11.034 1.00 0.00 H new ATOM 0 HD2 LYS A 75 115.355 10.940 -12.138 1.00 0.00 H new ATOM 0 HD3 LYS A 75 114.430 11.295 -13.583 1.00 0.00 H new ATOM 0 HE2 LYS A 75 115.606 13.538 -13.740 1.00 0.00 H new ATOM 0 HE3 LYS A 75 116.579 13.096 -12.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 117.723 12.581 -14.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 117.389 11.150 -13.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 116.446 11.578 -14.918 1.00 0.00 H new ATOM 1228 N LYS A 76 110.246 11.249 -9.083 1.00 0.00 N ATOM 1229 CA LYS A 76 109.042 10.422 -8.783 1.00 0.00 C ATOM 1230 C LYS A 76 109.079 9.134 -9.604 1.00 0.00 C ATOM 1231 O LYS A 76 108.135 8.799 -10.291 1.00 0.00 O ATOM 1232 CB LYS A 76 107.779 11.210 -9.132 1.00 0.00 C ATOM 1233 CG LYS A 76 107.604 12.357 -8.136 1.00 0.00 C ATOM 1234 CD LYS A 76 106.465 13.271 -8.601 1.00 0.00 C ATOM 1235 CE LYS A 76 105.132 12.518 -8.547 1.00 0.00 C ATOM 1236 NZ LYS A 76 104.013 13.502 -8.518 1.00 0.00 N ATOM 0 H LYS A 76 110.770 11.567 -8.267 1.00 0.00 H new ATOM 0 HA LYS A 76 109.036 10.173 -7.722 1.00 0.00 H new ATOM 0 HB2 LYS A 76 107.851 11.602 -10.146 1.00 0.00 H new ATOM 0 HB3 LYS A 76 106.909 10.554 -9.105 1.00 0.00 H new ATOM 0 HG2 LYS A 76 107.385 11.961 -7.144 1.00 0.00 H new ATOM 0 HG3 LYS A 76 108.530 12.926 -8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 76 106.417 14.157 -7.968 1.00 0.00 H new ATOM 0 HD3 LYS A 76 106.656 13.616 -9.617 1.00 0.00 H new ATOM 0 HE2 LYS A 76 105.035 11.864 -9.414 1.00 0.00 H new ATOM 0 HE3 LYS A 76 105.096 11.882 -7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 103.106 12.995 -8.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 104.105 14.108 -7.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 104.046 14.091 -9.375 1.00 0.00 H new ATOM 1250 N LEU A 77 110.160 8.405 -9.536 1.00 0.00 N ATOM 1251 CA LEU A 77 110.260 7.130 -10.307 1.00 0.00 C ATOM 1252 C LEU A 77 109.893 5.964 -9.391 1.00 0.00 C ATOM 1253 O LEU A 77 110.179 4.819 -9.679 1.00 0.00 O ATOM 1254 CB LEU A 77 111.689 6.957 -10.827 1.00 0.00 C ATOM 1255 CG LEU A 77 112.031 8.100 -11.793 1.00 0.00 C ATOM 1256 CD1 LEU A 77 113.521 8.036 -12.142 1.00 0.00 C ATOM 1257 CD2 LEU A 77 111.192 7.985 -13.081 1.00 0.00 C ATOM 0 H LEU A 77 110.982 8.637 -8.978 1.00 0.00 H new ATOM 0 HA LEU A 77 109.576 7.155 -11.155 1.00 0.00 H new ATOM 0 HB2 LEU A 77 112.391 6.950 -9.993 1.00 0.00 H new ATOM 0 HB3 LEU A 77 111.788 5.997 -11.335 1.00 0.00 H new ATOM 0 HG LEU A 77 111.804 9.052 -11.313 1.00 0.00 H new ATOM 0 HD11 LEU A 77 113.769 8.846 -12.828 1.00 0.00 H new ATOM 0 HD12 LEU A 77 114.112 8.137 -11.232 1.00 0.00 H new ATOM 0 HD13 LEU A 77 113.743 7.079 -12.615 1.00 0.00 H new ATOM 0 HD21 LEU A 77 111.446 8.803 -13.755 1.00 0.00 H new ATOM 0 HD22 LEU A 77 111.403 7.033 -13.569 1.00 0.00 H new ATOM 0 HD23 LEU A 77 110.132 8.037 -12.831 1.00 0.00 H new ATOM 1269 N TRP A 78 109.246 6.247 -8.291 1.00 0.00 N ATOM 1270 CA TRP A 78 108.843 5.155 -7.364 1.00 0.00 C ATOM 1271 C TRP A 78 107.980 4.156 -8.135 1.00 0.00 C ATOM 1272 O TRP A 78 107.861 3.005 -7.766 1.00 0.00 O ATOM 1273 CB TRP A 78 108.017 5.735 -6.206 1.00 0.00 C ATOM 1274 CG TRP A 78 108.909 6.364 -5.183 1.00 0.00 C ATOM 1275 CD1 TRP A 78 108.965 7.689 -4.913 1.00 0.00 C ATOM 1276 CD2 TRP A 78 109.857 5.722 -4.280 1.00 0.00 C ATOM 1277 NE1 TRP A 78 109.884 7.899 -3.900 1.00 0.00 N ATOM 1278 CE2 TRP A 78 110.462 6.720 -3.480 1.00 0.00 C ATOM 1279 CE3 TRP A 78 110.247 4.386 -4.079 1.00 0.00 C ATOM 1280 CZ2 TRP A 78 111.417 6.406 -2.515 1.00 0.00 C ATOM 1281 CZ3 TRP A 78 111.211 4.066 -3.107 1.00 0.00 C ATOM 1282 CH2 TRP A 78 111.793 5.076 -2.328 1.00 0.00 C ATOM 0 H TRP A 78 108.981 7.187 -7.997 1.00 0.00 H new ATOM 0 HA TRP A 78 109.731 4.666 -6.965 1.00 0.00 H new ATOM 0 HB2 TRP A 78 107.315 6.476 -6.589 1.00 0.00 H new ATOM 0 HB3 TRP A 78 107.425 4.945 -5.743 1.00 0.00 H new ATOM 0 HD1 TRP A 78 108.387 8.456 -5.407 1.00 0.00 H new ATOM 0 HE1 TRP A 78 110.107 8.815 -3.511 1.00 0.00 H new ATOM 0 HE3 TRP A 78 109.804 3.602 -4.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 111.863 7.187 -1.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 111.505 3.037 -2.960 1.00 0.00 H new ATOM 0 HH2 TRP A 78 112.533 4.824 -1.583 1.00 0.00 H new ATOM 1293 N GLN A 79 107.370 4.590 -9.204 1.00 0.00 N ATOM 1294 CA GLN A 79 106.508 3.670 -9.991 1.00 0.00 C ATOM 1295 C GLN A 79 107.345 2.494 -10.496 1.00 0.00 C ATOM 1296 O GLN A 79 106.903 1.363 -10.496 1.00 0.00 O ATOM 1297 CB GLN A 79 105.926 4.428 -11.188 1.00 0.00 C ATOM 1298 CG GLN A 79 104.834 5.392 -10.713 1.00 0.00 C ATOM 1299 CD GLN A 79 105.463 6.513 -9.883 1.00 0.00 C ATOM 1300 OE1 GLN A 79 106.504 7.034 -10.231 1.00 0.00 O ATOM 1301 NE2 GLN A 79 104.867 6.909 -8.793 1.00 0.00 N ATOM 0 H GLN A 79 107.433 5.542 -9.565 1.00 0.00 H new ATOM 0 HA GLN A 79 105.700 3.297 -9.362 1.00 0.00 H new ATOM 0 HB2 GLN A 79 106.715 4.981 -11.698 1.00 0.00 H new ATOM 0 HB3 GLN A 79 105.513 3.724 -11.910 1.00 0.00 H new ATOM 0 HG2 GLN A 79 104.308 5.812 -11.570 1.00 0.00 H new ATOM 0 HG3 GLN A 79 104.095 4.856 -10.117 1.00 0.00 H new ATOM 0 HE21 GLN A 79 103.993 6.471 -8.502 1.00 0.00 H new ATOM 0 HE22 GLN A 79 105.275 7.657 -8.232 1.00 0.00 H new ATOM 1310 N GLU A 80 108.552 2.747 -10.920 1.00 0.00 N ATOM 1311 CA GLU A 80 109.407 1.633 -11.415 1.00 0.00 C ATOM 1312 C GLU A 80 109.634 0.617 -10.289 1.00 0.00 C ATOM 1313 O GLU A 80 109.474 -0.573 -10.475 1.00 0.00 O ATOM 1314 CB GLU A 80 110.754 2.188 -11.883 1.00 0.00 C ATOM 1315 CG GLU A 80 110.553 2.997 -13.167 1.00 0.00 C ATOM 1316 CD GLU A 80 111.898 3.552 -13.638 1.00 0.00 C ATOM 1317 OE1 GLU A 80 112.341 4.538 -13.074 1.00 0.00 O ATOM 1318 OE2 GLU A 80 112.464 2.978 -14.552 1.00 0.00 O ATOM 0 H GLU A 80 108.981 3.672 -10.945 1.00 0.00 H new ATOM 0 HA GLU A 80 108.909 1.141 -12.250 1.00 0.00 H new ATOM 0 HB2 GLU A 80 111.189 2.818 -11.107 1.00 0.00 H new ATOM 0 HB3 GLU A 80 111.454 1.372 -12.060 1.00 0.00 H new ATOM 0 HG2 GLU A 80 110.117 2.367 -13.942 1.00 0.00 H new ATOM 0 HG3 GLU A 80 109.853 3.814 -12.989 1.00 0.00 H new ATOM 1325 N ILE A 81 110.008 1.076 -9.124 1.00 0.00 N ATOM 1326 CA ILE A 81 110.249 0.134 -7.991 1.00 0.00 C ATOM 1327 C ILE A 81 108.919 -0.466 -7.521 1.00 0.00 C ATOM 1328 O ILE A 81 108.810 -1.654 -7.290 1.00 0.00 O ATOM 1329 CB ILE A 81 110.908 0.895 -6.830 1.00 0.00 C ATOM 1330 CG1 ILE A 81 112.341 1.286 -7.220 1.00 0.00 C ATOM 1331 CG2 ILE A 81 110.945 0.011 -5.576 1.00 0.00 C ATOM 1332 CD1 ILE A 81 112.870 2.348 -6.252 1.00 0.00 C ATOM 0 H ILE A 81 110.157 2.062 -8.908 1.00 0.00 H new ATOM 0 HA ILE A 81 110.906 -0.670 -8.323 1.00 0.00 H new ATOM 0 HB ILE A 81 110.327 1.793 -6.618 1.00 0.00 H new ATOM 0 HG12 ILE A 81 112.986 0.408 -7.199 1.00 0.00 H new ATOM 0 HG13 ILE A 81 112.358 1.670 -8.240 1.00 0.00 H new ATOM 0 HG21 ILE A 81 111.414 0.559 -4.758 1.00 0.00 H new ATOM 0 HG22 ILE A 81 109.928 -0.263 -5.294 1.00 0.00 H new ATOM 0 HG23 ILE A 81 111.519 -0.892 -5.784 1.00 0.00 H new ATOM 0 HD11 ILE A 81 113.887 2.622 -6.533 1.00 0.00 H new ATOM 0 HD12 ILE A 81 112.231 3.230 -6.295 1.00 0.00 H new ATOM 0 HD13 ILE A 81 112.869 1.949 -5.238 1.00 0.00 H new ATOM 1344 N ILE A 82 107.909 0.347 -7.372 1.00 0.00 N ATOM 1345 CA ILE A 82 106.592 -0.174 -6.909 1.00 0.00 C ATOM 1346 C ILE A 82 106.043 -1.172 -7.930 1.00 0.00 C ATOM 1347 O ILE A 82 105.481 -2.188 -7.574 1.00 0.00 O ATOM 1348 CB ILE A 82 105.617 0.993 -6.734 1.00 0.00 C ATOM 1349 CG1 ILE A 82 106.107 1.877 -5.585 1.00 0.00 C ATOM 1350 CG2 ILE A 82 104.220 0.461 -6.400 1.00 0.00 C ATOM 1351 CD1 ILE A 82 105.305 3.178 -5.557 1.00 0.00 C ATOM 0 H ILE A 82 107.939 1.351 -7.551 1.00 0.00 H new ATOM 0 HA ILE A 82 106.716 -0.683 -5.953 1.00 0.00 H new ATOM 0 HB ILE A 82 105.568 1.569 -7.658 1.00 0.00 H new ATOM 0 HG12 ILE A 82 105.998 1.351 -4.637 1.00 0.00 H new ATOM 0 HG13 ILE A 82 107.168 2.095 -5.708 1.00 0.00 H new ATOM 0 HG21 ILE A 82 103.532 1.297 -6.277 1.00 0.00 H new ATOM 0 HG22 ILE A 82 103.871 -0.180 -7.210 1.00 0.00 H new ATOM 0 HG23 ILE A 82 104.261 -0.114 -5.475 1.00 0.00 H new ATOM 0 HD11 ILE A 82 105.657 3.805 -4.738 1.00 0.00 H new ATOM 0 HD12 ILE A 82 105.437 3.707 -6.501 1.00 0.00 H new ATOM 0 HD13 ILE A 82 104.249 2.951 -5.413 1.00 0.00 H new ATOM 1537 N ALA A 95 104.455 2.857 -1.680 1.00 0.00 N ATOM 1538 CA ALA A 95 105.322 4.040 -1.943 1.00 0.00 C ATOM 1539 C ALA A 95 105.723 4.668 -0.608 1.00 0.00 C ATOM 1540 O ALA A 95 106.889 4.801 -0.292 1.00 0.00 O ATOM 1541 CB ALA A 95 104.539 5.062 -2.782 1.00 0.00 C ATOM 0 HA ALA A 95 106.217 3.736 -2.486 1.00 0.00 H new ATOM 0 HB1 ALA A 95 105.168 5.930 -2.978 1.00 0.00 H new ATOM 0 HB2 ALA A 95 104.244 4.607 -3.727 1.00 0.00 H new ATOM 0 HB3 ALA A 95 103.649 5.375 -2.237 1.00 0.00 H new ATOM 1547 N PHE A 96 104.757 5.045 0.178 1.00 0.00 N ATOM 1548 CA PHE A 96 105.061 5.656 1.501 1.00 0.00 C ATOM 1549 C PHE A 96 105.858 4.663 2.350 1.00 0.00 C ATOM 1550 O PHE A 96 106.794 5.023 3.035 1.00 0.00 O ATOM 1551 CB PHE A 96 103.749 5.991 2.217 1.00 0.00 C ATOM 1552 CG PHE A 96 104.047 6.590 3.571 1.00 0.00 C ATOM 1553 CD1 PHE A 96 104.202 7.975 3.713 1.00 0.00 C ATOM 1554 CD2 PHE A 96 104.168 5.755 4.688 1.00 0.00 C ATOM 1555 CE1 PHE A 96 104.477 8.523 4.973 1.00 0.00 C ATOM 1556 CE2 PHE A 96 104.443 6.302 5.946 1.00 0.00 C ATOM 1557 CZ PHE A 96 104.598 7.686 6.088 1.00 0.00 C ATOM 0 H PHE A 96 103.764 4.956 -0.039 1.00 0.00 H new ATOM 0 HA PHE A 96 105.645 6.565 1.357 1.00 0.00 H new ATOM 0 HB2 PHE A 96 103.166 6.691 1.619 1.00 0.00 H new ATOM 0 HB3 PHE A 96 103.146 5.090 2.332 1.00 0.00 H new ATOM 0 HD1 PHE A 96 104.110 8.620 2.852 1.00 0.00 H new ATOM 0 HD2 PHE A 96 104.049 4.687 4.579 1.00 0.00 H new ATOM 0 HE1 PHE A 96 104.596 9.591 5.084 1.00 0.00 H new ATOM 0 HE2 PHE A 96 104.536 5.657 6.807 1.00 0.00 H new ATOM 0 HZ PHE A 96 104.811 8.108 7.059 1.00 0.00 H new ATOM 1567 N THR A 97 105.483 3.413 2.318 1.00 0.00 N ATOM 1568 CA THR A 97 106.210 2.394 3.131 1.00 0.00 C ATOM 1569 C THR A 97 107.641 2.214 2.603 1.00 0.00 C ATOM 1570 O THR A 97 108.574 2.046 3.359 1.00 0.00 O ATOM 1571 CB THR A 97 105.466 1.059 3.035 1.00 0.00 C ATOM 1572 OG1 THR A 97 104.098 1.259 3.363 1.00 0.00 O ATOM 1573 CG2 THR A 97 106.075 0.050 4.013 1.00 0.00 C ATOM 0 H THR A 97 104.705 3.053 1.765 1.00 0.00 H new ATOM 0 HA THR A 97 106.255 2.728 4.168 1.00 0.00 H new ATOM 0 HB THR A 97 105.552 0.674 2.019 1.00 0.00 H new ATOM 0 HG1 THR A 97 103.619 0.406 3.301 1.00 0.00 H new ATOM 0 HG21 THR A 97 105.540 -0.897 3.939 1.00 0.00 H new ATOM 0 HG22 THR A 97 107.125 -0.106 3.768 1.00 0.00 H new ATOM 0 HG23 THR A 97 105.993 0.434 5.030 1.00 0.00 H new ATOM 1581 N LEU A 98 107.819 2.216 1.313 1.00 0.00 N ATOM 1582 CA LEU A 98 109.188 2.018 0.753 1.00 0.00 C ATOM 1583 C LEU A 98 110.114 3.186 1.122 1.00 0.00 C ATOM 1584 O LEU A 98 111.218 2.986 1.591 1.00 0.00 O ATOM 1585 CB LEU A 98 109.093 1.904 -0.773 1.00 0.00 C ATOM 1586 CG LEU A 98 108.418 0.571 -1.169 1.00 0.00 C ATOM 1587 CD1 LEU A 98 107.784 0.703 -2.559 1.00 0.00 C ATOM 1588 CD2 LEU A 98 109.461 -0.554 -1.215 1.00 0.00 C ATOM 0 H LEU A 98 107.080 2.346 0.622 1.00 0.00 H new ATOM 0 HA LEU A 98 109.607 1.105 1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 98 108.522 2.742 -1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 98 110.089 1.960 -1.212 1.00 0.00 H new ATOM 0 HG LEU A 98 107.653 0.337 -0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 98 107.310 -0.239 -2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 98 107.036 1.495 -2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 98 108.556 0.947 -3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 98 108.976 -1.489 -1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 98 110.228 -0.309 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 98 109.921 -0.664 -0.233 1.00 0.00 H new ATOM 1600 N ARG A 99 109.694 4.399 0.887 1.00 0.00 N ATOM 1601 CA ARG A 99 110.570 5.571 1.195 1.00 0.00 C ATOM 1602 C ARG A 99 110.943 5.637 2.685 1.00 0.00 C ATOM 1603 O ARG A 99 112.058 5.979 3.028 1.00 0.00 O ATOM 1604 CB ARG A 99 109.871 6.870 0.770 1.00 0.00 C ATOM 1605 CG ARG A 99 108.581 7.062 1.563 1.00 0.00 C ATOM 1606 CD ARG A 99 107.898 8.353 1.114 1.00 0.00 C ATOM 1607 NE ARG A 99 107.580 8.269 -0.338 1.00 0.00 N ATOM 1608 CZ ARG A 99 107.136 9.321 -0.968 1.00 0.00 C ATOM 1609 NH1 ARG A 99 107.295 10.507 -0.448 1.00 0.00 N ATOM 1610 NH2 ARG A 99 106.534 9.187 -2.118 1.00 0.00 N ATOM 0 H ARG A 99 108.782 4.632 0.495 1.00 0.00 H new ATOM 0 HA ARG A 99 111.495 5.449 0.632 1.00 0.00 H new ATOM 0 HB2 ARG A 99 110.536 7.719 0.933 1.00 0.00 H new ATOM 0 HB3 ARG A 99 109.649 6.839 -0.297 1.00 0.00 H new ATOM 0 HG2 ARG A 99 107.916 6.213 1.408 1.00 0.00 H new ATOM 0 HG3 ARG A 99 108.800 7.105 2.630 1.00 0.00 H new ATOM 0 HD2 ARG A 99 106.985 8.512 1.688 1.00 0.00 H new ATOM 0 HD3 ARG A 99 108.548 9.206 1.306 1.00 0.00 H new ATOM 0 HE ARG A 99 107.709 7.390 -0.839 1.00 0.00 H new ATOM 0 HH11 ARG A 99 107.766 10.611 0.451 1.00 0.00 H new ATOM 0 HH12 ARG A 99 106.948 11.330 -0.940 1.00 0.00 H new ATOM 0 HH21 ARG A 99 106.411 8.259 -2.524 1.00 0.00 H new ATOM 0 HH22 ARG A 99 106.187 10.010 -2.611 1.00 0.00 H new ATOM 1624 N THR A 100 110.033 5.352 3.579 1.00 0.00 N ATOM 1625 CA THR A 100 110.380 5.451 5.030 1.00 0.00 C ATOM 1626 C THR A 100 111.322 4.313 5.438 1.00 0.00 C ATOM 1627 O THR A 100 112.296 4.529 6.131 1.00 0.00 O ATOM 1628 CB THR A 100 109.099 5.432 5.885 1.00 0.00 C ATOM 1629 OG1 THR A 100 109.376 6.015 7.150 1.00 0.00 O ATOM 1630 CG2 THR A 100 108.594 4.001 6.086 1.00 0.00 C ATOM 0 H THR A 100 109.078 5.059 3.373 1.00 0.00 H new ATOM 0 HA THR A 100 110.897 6.395 5.202 1.00 0.00 H new ATOM 0 HB THR A 100 108.326 6.000 5.367 1.00 0.00 H new ATOM 0 HG1 THR A 100 108.564 6.008 7.699 1.00 0.00 H new ATOM 0 HG21 THR A 100 107.689 4.017 6.693 1.00 0.00 H new ATOM 0 HG22 THR A 100 108.373 3.554 5.117 1.00 0.00 H new ATOM 0 HG23 THR A 100 109.360 3.413 6.591 1.00 0.00 H new ATOM 1638 N GLN A 101 111.057 3.107 5.017 1.00 0.00 N ATOM 1639 CA GLN A 101 111.962 1.990 5.396 1.00 0.00 C ATOM 1640 C GLN A 101 113.355 2.294 4.848 1.00 0.00 C ATOM 1641 O GLN A 101 114.358 2.116 5.518 1.00 0.00 O ATOM 1642 CB GLN A 101 111.442 0.679 4.801 1.00 0.00 C ATOM 1643 CG GLN A 101 110.156 0.275 5.524 1.00 0.00 C ATOM 1644 CD GLN A 101 109.625 -1.035 4.936 1.00 0.00 C ATOM 1645 OE1 GLN A 101 108.798 -1.691 5.535 1.00 0.00 O ATOM 1646 NE2 GLN A 101 110.069 -1.445 3.779 1.00 0.00 N ATOM 0 H GLN A 101 110.261 2.850 4.433 1.00 0.00 H new ATOM 0 HA GLN A 101 112.001 1.888 6.481 1.00 0.00 H new ATOM 0 HB2 GLN A 101 111.251 0.800 3.735 1.00 0.00 H new ATOM 0 HB3 GLN A 101 112.193 -0.104 4.904 1.00 0.00 H new ATOM 0 HG2 GLN A 101 110.349 0.155 6.590 1.00 0.00 H new ATOM 0 HG3 GLN A 101 109.407 1.061 5.422 1.00 0.00 H new ATOM 0 HE21 GLN A 101 110.764 -0.894 3.275 1.00 0.00 H new ATOM 0 HE22 GLN A 101 109.721 -2.316 3.379 1.00 0.00 H new ATOM 1655 N TYR A 102 113.418 2.775 3.639 1.00 0.00 N ATOM 1656 CA TYR A 102 114.733 3.117 3.044 1.00 0.00 C ATOM 1657 C TYR A 102 115.391 4.182 3.922 1.00 0.00 C ATOM 1658 O TYR A 102 116.544 4.089 4.288 1.00 0.00 O ATOM 1659 CB TYR A 102 114.522 3.671 1.632 1.00 0.00 C ATOM 1660 CG TYR A 102 115.835 3.667 0.885 1.00 0.00 C ATOM 1661 CD1 TYR A 102 116.807 4.633 1.162 1.00 0.00 C ATOM 1662 CD2 TYR A 102 116.081 2.685 -0.083 1.00 0.00 C ATOM 1663 CE1 TYR A 102 118.023 4.619 0.469 1.00 0.00 C ATOM 1664 CE2 TYR A 102 117.297 2.673 -0.775 1.00 0.00 C ATOM 1665 CZ TYR A 102 118.267 3.639 -0.500 1.00 0.00 C ATOM 1666 OH TYR A 102 119.463 3.629 -1.185 1.00 0.00 O ATOM 0 H TYR A 102 112.612 2.946 3.038 1.00 0.00 H new ATOM 0 HA TYR A 102 115.368 2.233 2.987 1.00 0.00 H new ATOM 0 HB2 TYR A 102 113.787 3.067 1.100 1.00 0.00 H new ATOM 0 HB3 TYR A 102 114.124 4.685 1.684 1.00 0.00 H new ATOM 0 HD1 TYR A 102 116.620 5.389 1.910 1.00 0.00 H new ATOM 0 HD2 TYR A 102 115.332 1.937 -0.295 1.00 0.00 H new ATOM 0 HE1 TYR A 102 118.774 5.365 0.682 1.00 0.00 H new ATOM 0 HE2 TYR A 102 117.485 1.916 -1.522 1.00 0.00 H new ATOM 0 HH TYR A 102 120.041 2.924 -0.824 1.00 0.00 H new ATOM 1676 N MET A 103 114.647 5.199 4.254 1.00 0.00 N ATOM 1677 CA MET A 103 115.186 6.294 5.102 1.00 0.00 C ATOM 1678 C MET A 103 115.548 5.756 6.487 1.00 0.00 C ATOM 1679 O MET A 103 116.404 6.286 7.166 1.00 0.00 O ATOM 1680 CB MET A 103 114.122 7.388 5.247 1.00 0.00 C ATOM 1681 CG MET A 103 114.762 8.669 5.794 1.00 0.00 C ATOM 1682 SD MET A 103 115.546 9.575 4.433 1.00 0.00 S ATOM 1683 CE MET A 103 114.065 10.395 3.780 1.00 0.00 C ATOM 0 H MET A 103 113.675 5.318 3.969 1.00 0.00 H new ATOM 0 HA MET A 103 116.081 6.703 4.633 1.00 0.00 H new ATOM 0 HB2 MET A 103 113.658 7.587 4.281 1.00 0.00 H new ATOM 0 HB3 MET A 103 113.331 7.052 5.917 1.00 0.00 H new ATOM 0 HG2 MET A 103 114.006 9.291 6.273 1.00 0.00 H new ATOM 0 HG3 MET A 103 115.501 8.423 6.556 1.00 0.00 H new ATOM 0 HE1 MET A 103 114.098 10.393 2.691 1.00 0.00 H new ATOM 0 HE2 MET A 103 113.176 9.862 4.117 1.00 0.00 H new ATOM 0 HE3 MET A 103 114.030 11.423 4.140 1.00 0.00 H new ATOM 1693 N LYS A 104 114.871 4.736 6.932 1.00 0.00 N ATOM 1694 CA LYS A 104 115.138 4.201 8.290 1.00 0.00 C ATOM 1695 C LYS A 104 116.598 3.728 8.425 1.00 0.00 C ATOM 1696 O LYS A 104 117.232 3.992 9.427 1.00 0.00 O ATOM 1697 CB LYS A 104 114.175 3.030 8.556 1.00 0.00 C ATOM 1698 CG LYS A 104 113.918 2.878 10.067 1.00 0.00 C ATOM 1699 CD LYS A 104 112.785 3.818 10.502 1.00 0.00 C ATOM 1700 CE LYS A 104 112.570 3.686 12.006 1.00 0.00 C ATOM 1701 NZ LYS A 104 111.433 4.553 12.423 1.00 0.00 N ATOM 0 H LYS A 104 114.142 4.250 6.410 1.00 0.00 H new ATOM 0 HA LYS A 104 114.979 4.992 9.023 1.00 0.00 H new ATOM 0 HB2 LYS A 104 113.232 3.201 8.036 1.00 0.00 H new ATOM 0 HB3 LYS A 104 114.596 2.107 8.158 1.00 0.00 H new ATOM 0 HG2 LYS A 104 113.655 1.846 10.298 1.00 0.00 H new ATOM 0 HG3 LYS A 104 114.826 3.107 10.624 1.00 0.00 H new ATOM 0 HD2 LYS A 104 113.034 4.848 10.248 1.00 0.00 H new ATOM 0 HD3 LYS A 104 111.867 3.571 9.969 1.00 0.00 H new ATOM 0 HE2 LYS A 104 112.363 2.648 12.265 1.00 0.00 H new ATOM 0 HE3 LYS A 104 113.476 3.974 12.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 111.286 4.463 13.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 111.648 5.543 12.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 110.570 4.259 11.923 1.00 0.00 H new ATOM 1715 N TYR A 105 117.145 3.024 7.452 1.00 0.00 N ATOM 1716 CA TYR A 105 118.572 2.550 7.595 1.00 0.00 C ATOM 1717 C TYR A 105 119.350 2.643 6.276 1.00 0.00 C ATOM 1718 O TYR A 105 120.542 2.413 6.261 1.00 0.00 O ATOM 1719 CB TYR A 105 118.595 1.083 8.030 1.00 0.00 C ATOM 1720 CG TYR A 105 117.760 0.884 9.270 1.00 0.00 C ATOM 1721 CD1 TYR A 105 118.288 1.191 10.529 1.00 0.00 C ATOM 1722 CD2 TYR A 105 116.459 0.382 9.158 1.00 0.00 C ATOM 1723 CE1 TYR A 105 117.511 0.999 11.677 1.00 0.00 C ATOM 1724 CE2 TYR A 105 115.682 0.189 10.304 1.00 0.00 C ATOM 1725 CZ TYR A 105 116.206 0.500 11.564 1.00 0.00 C ATOM 1726 OH TYR A 105 115.440 0.312 12.695 1.00 0.00 O ATOM 0 H TYR A 105 116.679 2.761 6.583 1.00 0.00 H new ATOM 0 HA TYR A 105 119.040 3.197 8.337 1.00 0.00 H new ATOM 0 HB2 TYR A 105 118.216 0.453 7.225 1.00 0.00 H new ATOM 0 HB3 TYR A 105 119.622 0.771 8.222 1.00 0.00 H new ATOM 0 HD1 TYR A 105 119.294 1.576 10.615 1.00 0.00 H new ATOM 0 HD2 TYR A 105 116.055 0.143 8.185 1.00 0.00 H new ATOM 0 HE1 TYR A 105 117.917 1.235 12.650 1.00 0.00 H new ATOM 0 HE2 TYR A 105 114.678 -0.200 10.217 1.00 0.00 H new ATOM 0 HH TYR A 105 114.561 -0.039 12.440 1.00 0.00 H new ATOM 1736 N LEU A 106 118.710 2.931 5.164 1.00 0.00 N ATOM 1737 CA LEU A 106 119.468 2.972 3.864 1.00 0.00 C ATOM 1738 C LEU A 106 119.802 4.406 3.433 1.00 0.00 C ATOM 1739 O LEU A 106 120.716 4.606 2.663 1.00 0.00 O ATOM 1740 CB LEU A 106 118.639 2.288 2.762 1.00 0.00 C ATOM 1741 CG LEU A 106 118.615 0.755 2.981 1.00 0.00 C ATOM 1742 CD1 LEU A 106 117.375 0.145 2.302 1.00 0.00 C ATOM 1743 CD2 LEU A 106 119.879 0.116 2.373 1.00 0.00 C ATOM 0 H LEU A 106 117.713 3.136 5.097 1.00 0.00 H new ATOM 0 HA LEU A 106 120.409 2.443 4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 106 117.622 2.679 2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 106 119.063 2.516 1.784 1.00 0.00 H new ATOM 0 HG LEU A 106 118.582 0.559 4.053 1.00 0.00 H new ATOM 0 HD11 LEU A 106 117.366 -0.933 2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 106 116.473 0.582 2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 106 117.406 0.354 1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 106 119.854 -0.962 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 106 119.914 0.325 1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 106 120.764 0.533 2.853 1.00 0.00 H new ATOM 1755 N TYR A 107 119.108 5.415 3.894 1.00 0.00 N ATOM 1756 CA TYR A 107 119.485 6.791 3.436 1.00 0.00 C ATOM 1757 C TYR A 107 120.836 7.214 4.043 1.00 0.00 C ATOM 1758 O TYR A 107 121.627 7.844 3.371 1.00 0.00 O ATOM 1759 CB TYR A 107 118.393 7.830 3.749 1.00 0.00 C ATOM 1760 CG TYR A 107 118.911 9.205 3.403 1.00 0.00 C ATOM 1761 CD1 TYR A 107 118.853 9.656 2.081 1.00 0.00 C ATOM 1762 CD2 TYR A 107 119.459 10.020 4.401 1.00 0.00 C ATOM 1763 CE1 TYR A 107 119.343 10.925 1.754 1.00 0.00 C ATOM 1764 CE2 TYR A 107 119.948 11.290 4.075 1.00 0.00 C ATOM 1765 CZ TYR A 107 119.890 11.742 2.750 1.00 0.00 C ATOM 1766 OH TYR A 107 120.374 12.994 2.426 1.00 0.00 O ATOM 0 H TYR A 107 118.324 5.355 4.544 1.00 0.00 H new ATOM 0 HA TYR A 107 119.586 6.753 2.351 1.00 0.00 H new ATOM 0 HB2 TYR A 107 117.491 7.612 3.177 1.00 0.00 H new ATOM 0 HB3 TYR A 107 118.121 7.784 4.803 1.00 0.00 H new ATOM 0 HD1 TYR A 107 118.430 9.025 1.313 1.00 0.00 H new ATOM 0 HD2 TYR A 107 119.504 9.669 5.421 1.00 0.00 H new ATOM 0 HE1 TYR A 107 119.299 11.274 0.733 1.00 0.00 H new ATOM 0 HE2 TYR A 107 120.370 11.921 4.844 1.00 0.00 H new ATOM 0 HH TYR A 107 120.718 13.431 3.233 1.00 0.00 H new ATOM 1776 N PRO A 108 121.133 6.878 5.283 1.00 0.00 N ATOM 1777 CA PRO A 108 122.444 7.265 5.871 1.00 0.00 C ATOM 1778 C PRO A 108 123.547 6.350 5.331 1.00 0.00 C ATOM 1779 O PRO A 108 124.650 6.771 5.040 1.00 0.00 O ATOM 1780 CB PRO A 108 122.213 7.036 7.382 1.00 0.00 C ATOM 1781 CG PRO A 108 120.776 6.503 7.570 1.00 0.00 C ATOM 1782 CD PRO A 108 120.234 6.109 6.187 1.00 0.00 C ATOM 0 HA PRO A 108 122.758 8.283 5.638 1.00 0.00 H new ATOM 0 HB2 PRO A 108 122.938 6.323 7.775 1.00 0.00 H new ATOM 0 HB3 PRO A 108 122.350 7.966 7.934 1.00 0.00 H new ATOM 0 HG2 PRO A 108 120.772 5.643 8.240 1.00 0.00 H new ATOM 0 HG3 PRO A 108 120.143 7.265 8.025 1.00 0.00 H new ATOM 0 HD2 PRO A 108 120.298 5.035 6.012 1.00 0.00 H new ATOM 0 HD3 PRO A 108 119.188 6.390 6.061 1.00 0.00 H new ATOM 1790 N TYR A 109 123.228 5.094 5.198 1.00 0.00 N ATOM 1791 CA TYR A 109 124.206 4.104 4.680 1.00 0.00 C ATOM 1792 C TYR A 109 124.505 4.414 3.210 1.00 0.00 C ATOM 1793 O TYR A 109 125.636 4.367 2.769 1.00 0.00 O ATOM 1794 CB TYR A 109 123.581 2.713 4.799 1.00 0.00 C ATOM 1795 CG TYR A 109 124.636 1.656 4.605 1.00 0.00 C ATOM 1796 CD1 TYR A 109 125.571 1.420 5.618 1.00 0.00 C ATOM 1797 CD2 TYR A 109 124.676 0.904 3.423 1.00 0.00 C ATOM 1798 CE1 TYR A 109 126.547 0.434 5.454 1.00 0.00 C ATOM 1799 CE2 TYR A 109 125.654 -0.081 3.260 1.00 0.00 C ATOM 1800 CZ TYR A 109 126.591 -0.315 4.276 1.00 0.00 C ATOM 1801 OH TYR A 109 127.555 -1.289 4.114 1.00 0.00 O ATOM 0 H TYR A 109 122.314 4.707 5.431 1.00 0.00 H new ATOM 0 HA TYR A 109 125.135 4.147 5.248 1.00 0.00 H new ATOM 0 HB2 TYR A 109 123.114 2.597 5.777 1.00 0.00 H new ATOM 0 HB3 TYR A 109 122.794 2.594 4.054 1.00 0.00 H new ATOM 0 HD1 TYR A 109 125.538 2.001 6.528 1.00 0.00 H new ATOM 0 HD2 TYR A 109 123.954 1.085 2.641 1.00 0.00 H new ATOM 0 HE1 TYR A 109 127.267 0.251 6.238 1.00 0.00 H new ATOM 0 HE2 TYR A 109 125.688 -0.662 2.350 1.00 0.00 H new ATOM 0 HH TYR A 109 127.444 -1.717 3.239 1.00 0.00 H new ATOM 1811 N GLU A 110 123.492 4.741 2.454 1.00 0.00 N ATOM 1812 CA GLU A 110 123.693 5.067 1.017 1.00 0.00 C ATOM 1813 C GLU A 110 124.658 6.245 0.900 1.00 0.00 C ATOM 1814 O GLU A 110 125.535 6.269 0.059 1.00 0.00 O ATOM 1815 CB GLU A 110 122.344 5.466 0.416 1.00 0.00 C ATOM 1816 CG GLU A 110 122.503 5.779 -1.071 1.00 0.00 C ATOM 1817 CD GLU A 110 121.117 5.937 -1.701 1.00 0.00 C ATOM 1818 OE1 GLU A 110 120.194 6.273 -0.976 1.00 0.00 O ATOM 1819 OE2 GLU A 110 121.000 5.714 -2.895 1.00 0.00 O ATOM 0 H GLU A 110 122.526 4.796 2.776 1.00 0.00 H new ATOM 0 HA GLU A 110 124.102 4.205 0.490 1.00 0.00 H new ATOM 0 HB2 GLU A 110 121.624 4.659 0.551 1.00 0.00 H new ATOM 0 HB3 GLU A 110 121.948 6.337 0.938 1.00 0.00 H new ATOM 0 HG2 GLU A 110 123.082 6.693 -1.203 1.00 0.00 H new ATOM 0 HG3 GLU A 110 123.052 4.979 -1.567 1.00 0.00 H new ATOM 1826 N CYS A 111 124.487 7.230 1.736 1.00 0.00 N ATOM 1827 CA CYS A 111 125.368 8.427 1.689 1.00 0.00 C ATOM 1828 C CYS A 111 126.820 8.036 1.985 1.00 0.00 C ATOM 1829 O CYS A 111 127.744 8.548 1.391 1.00 0.00 O ATOM 1830 CB CYS A 111 124.894 9.444 2.727 1.00 0.00 C ATOM 1831 SG CYS A 111 123.251 10.047 2.270 1.00 0.00 S ATOM 0 H CYS A 111 123.766 7.256 2.457 1.00 0.00 H new ATOM 0 HA CYS A 111 125.318 8.863 0.691 1.00 0.00 H new ATOM 0 HB2 CYS A 111 124.863 8.984 3.715 1.00 0.00 H new ATOM 0 HB3 CYS A 111 125.596 10.276 2.784 1.00 0.00 H new ATOM 0 HG CYS A 111 122.344 9.304 2.832 1.00 0.00 H new ATOM 1837 N GLU A 112 127.045 7.156 2.915 1.00 0.00 N ATOM 1838 CA GLU A 112 128.452 6.787 3.237 1.00 0.00 C ATOM 1839 C GLU A 112 129.097 6.074 2.044 1.00 0.00 C ATOM 1840 O GLU A 112 130.249 6.300 1.730 1.00 0.00 O ATOM 1841 CB GLU A 112 128.473 5.863 4.457 1.00 0.00 C ATOM 1842 CG GLU A 112 129.923 5.618 4.883 1.00 0.00 C ATOM 1843 CD GLU A 112 129.949 4.696 6.103 1.00 0.00 C ATOM 1844 OE1 GLU A 112 128.891 4.453 6.660 1.00 0.00 O ATOM 1845 OE2 GLU A 112 131.026 4.250 6.462 1.00 0.00 O ATOM 0 H GLU A 112 126.328 6.680 3.462 1.00 0.00 H new ATOM 0 HA GLU A 112 129.015 7.694 3.455 1.00 0.00 H new ATOM 0 HB2 GLU A 112 127.912 6.312 5.277 1.00 0.00 H new ATOM 0 HB3 GLU A 112 127.987 4.917 4.219 1.00 0.00 H new ATOM 0 HG2 GLU A 112 130.483 5.169 4.063 1.00 0.00 H new ATOM 0 HG3 GLU A 112 130.408 6.565 5.119 1.00 0.00 H new ATOM 1852 N LYS A 113 128.381 5.207 1.381 1.00 0.00 N ATOM 1853 CA LYS A 113 128.980 4.481 0.224 1.00 0.00 C ATOM 1854 C LYS A 113 129.337 5.446 -0.918 1.00 0.00 C ATOM 1855 O LYS A 113 130.430 5.395 -1.445 1.00 0.00 O ATOM 1856 CB LYS A 113 127.983 3.448 -0.305 1.00 0.00 C ATOM 1857 CG LYS A 113 127.790 2.312 0.710 1.00 0.00 C ATOM 1858 CD LYS A 113 129.043 1.418 0.777 1.00 0.00 C ATOM 1859 CE LYS A 113 128.665 0.055 1.364 1.00 0.00 C ATOM 1860 NZ LYS A 113 129.898 -0.704 1.714 1.00 0.00 N ATOM 0 H LYS A 113 127.411 4.970 1.589 1.00 0.00 H new ATOM 0 HA LYS A 113 129.891 3.993 0.571 1.00 0.00 H new ATOM 0 HB2 LYS A 113 127.026 3.929 -0.507 1.00 0.00 H new ATOM 0 HB3 LYS A 113 128.341 3.041 -1.251 1.00 0.00 H new ATOM 0 HG2 LYS A 113 127.583 2.730 1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 113 126.924 1.712 0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 113 129.467 1.292 -0.219 1.00 0.00 H new ATOM 0 HD3 LYS A 113 129.808 1.891 1.392 1.00 0.00 H new ATOM 0 HE2 LYS A 113 128.046 0.190 2.251 1.00 0.00 H new ATOM 0 HE3 LYS A 113 128.072 -0.509 0.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 129.635 -1.628 2.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 130.473 -0.846 0.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 130.448 -0.169 2.416 1.00 0.00 H new ATOM 1874 N LYS A 114 128.422 6.301 -1.331 1.00 0.00 N ATOM 1875 CA LYS A 114 128.720 7.238 -2.474 1.00 0.00 C ATOM 1876 C LYS A 114 128.386 8.694 -2.121 1.00 0.00 C ATOM 1877 O LYS A 114 128.585 9.581 -2.927 1.00 0.00 O ATOM 1878 CB LYS A 114 127.886 6.822 -3.690 1.00 0.00 C ATOM 1879 CG LYS A 114 128.317 5.430 -4.157 1.00 0.00 C ATOM 1880 CD LYS A 114 127.486 5.014 -5.371 1.00 0.00 C ATOM 1881 CE LYS A 114 127.925 3.622 -5.832 1.00 0.00 C ATOM 1882 NZ LYS A 114 127.665 2.636 -4.744 1.00 0.00 N ATOM 0 H LYS A 114 127.488 6.391 -0.930 1.00 0.00 H new ATOM 0 HA LYS A 114 129.787 7.176 -2.690 1.00 0.00 H new ATOM 0 HB2 LYS A 114 126.827 6.818 -3.433 1.00 0.00 H new ATOM 0 HB3 LYS A 114 128.016 7.544 -4.497 1.00 0.00 H new ATOM 0 HG2 LYS A 114 129.376 5.434 -4.413 1.00 0.00 H new ATOM 0 HG3 LYS A 114 128.187 4.709 -3.350 1.00 0.00 H new ATOM 0 HD2 LYS A 114 126.426 5.008 -5.116 1.00 0.00 H new ATOM 0 HD3 LYS A 114 127.615 5.735 -6.179 1.00 0.00 H new ATOM 0 HE2 LYS A 114 127.382 3.337 -6.733 1.00 0.00 H new ATOM 0 HE3 LYS A 114 128.985 3.628 -6.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 127.618 1.679 -5.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 128.434 2.680 -4.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 126.762 2.861 -4.280 1.00 0.00 H new ATOM 1896 N ASN A 115 127.877 8.970 -0.950 1.00 0.00 N ATOM 1897 CA ASN A 115 127.545 10.392 -0.621 1.00 0.00 C ATOM 1898 C ASN A 115 126.692 10.969 -1.752 1.00 0.00 C ATOM 1899 O ASN A 115 126.992 12.008 -2.308 1.00 0.00 O ATOM 1900 CB ASN A 115 128.836 11.200 -0.486 1.00 0.00 C ATOM 1901 CG ASN A 115 128.517 12.581 0.092 1.00 0.00 C ATOM 1902 OD1 ASN A 115 128.556 13.569 -0.614 1.00 0.00 O ATOM 1903 ND2 ASN A 115 128.205 12.692 1.354 1.00 0.00 N ATOM 0 H ASN A 115 127.679 8.289 -0.217 1.00 0.00 H new ATOM 0 HA ASN A 115 126.996 10.440 0.319 1.00 0.00 H new ATOM 0 HB2 ASN A 115 129.539 10.677 0.162 1.00 0.00 H new ATOM 0 HB3 ASN A 115 129.316 11.304 -1.459 1.00 0.00 H new ATOM 0 HD21 ASN A 115 127.994 13.609 1.748 1.00 0.00 H new ATOM 0 HD22 ASN A 115 128.172 11.862 1.946 1.00 0.00 H new ATOM 1910 N LEU A 116 125.645 10.281 -2.112 1.00 0.00 N ATOM 1911 CA LEU A 116 124.775 10.751 -3.227 1.00 0.00 C ATOM 1912 C LEU A 116 124.187 12.125 -2.910 1.00 0.00 C ATOM 1913 O LEU A 116 124.068 12.968 -3.776 1.00 0.00 O ATOM 1914 CB LEU A 116 123.610 9.776 -3.400 1.00 0.00 C ATOM 1915 CG LEU A 116 124.125 8.360 -3.688 1.00 0.00 C ATOM 1916 CD1 LEU A 116 122.926 7.404 -3.857 1.00 0.00 C ATOM 1917 CD2 LEU A 116 124.986 8.359 -4.966 1.00 0.00 C ATOM 0 H LEU A 116 125.352 9.406 -1.678 1.00 0.00 H new ATOM 0 HA LEU A 116 125.380 10.809 -4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 116 122.998 9.769 -2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 116 122.970 10.108 -4.217 1.00 0.00 H new ATOM 0 HG LEU A 116 124.741 8.024 -2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 116 123.290 6.397 -4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 116 122.334 7.397 -2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 116 122.306 7.742 -4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 116 125.346 7.349 -5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 116 124.385 8.699 -5.810 1.00 0.00 H new ATOM 0 HD23 LEU A 116 125.836 9.028 -4.833 1.00 0.00 H new ATOM 1929 N SER A 117 123.786 12.357 -1.688 1.00 0.00 N ATOM 1930 CA SER A 117 123.176 13.678 -1.358 1.00 0.00 C ATOM 1931 C SER A 117 123.338 13.999 0.127 1.00 0.00 C ATOM 1932 O SER A 117 123.877 13.228 0.897 1.00 0.00 O ATOM 1933 CB SER A 117 121.687 13.633 -1.700 1.00 0.00 C ATOM 1934 OG SER A 117 121.531 13.574 -3.112 1.00 0.00 O ATOM 0 H SER A 117 123.853 11.698 -0.913 1.00 0.00 H new ATOM 0 HA SER A 117 123.680 14.452 -1.937 1.00 0.00 H new ATOM 0 HB2 SER A 117 121.221 12.764 -1.235 1.00 0.00 H new ATOM 0 HB3 SER A 117 121.184 14.515 -1.304 1.00 0.00 H new ATOM 0 HG SER A 117 122.405 13.678 -3.542 1.00 0.00 H new ATOM 1940 N THR A 118 122.860 15.149 0.522 1.00 0.00 N ATOM 1941 CA THR A 118 122.946 15.588 1.944 1.00 0.00 C ATOM 1942 C THR A 118 121.586 16.199 2.319 1.00 0.00 C ATOM 1943 O THR A 118 120.847 16.622 1.454 1.00 0.00 O ATOM 1944 CB THR A 118 124.056 16.652 2.061 1.00 0.00 C ATOM 1945 OG1 THR A 118 124.136 17.374 0.841 1.00 0.00 O ATOM 1946 CG2 THR A 118 125.403 15.978 2.340 1.00 0.00 C ATOM 0 H THR A 118 122.403 15.818 -0.098 1.00 0.00 H new ATOM 0 HA THR A 118 123.179 14.756 2.609 1.00 0.00 H new ATOM 0 HB THR A 118 123.821 17.330 2.882 1.00 0.00 H new ATOM 0 HG1 THR A 118 124.429 16.773 0.124 1.00 0.00 H new ATOM 0 HG21 THR A 118 126.180 16.738 2.421 1.00 0.00 H new ATOM 0 HG22 THR A 118 125.344 15.419 3.274 1.00 0.00 H new ATOM 0 HG23 THR A 118 125.645 15.297 1.524 1.00 0.00 H new ATOM 1954 N PRO A 119 121.238 16.249 3.582 1.00 0.00 N ATOM 1955 CA PRO A 119 119.928 16.830 3.978 1.00 0.00 C ATOM 1956 C PRO A 119 119.638 18.154 3.251 1.00 0.00 C ATOM 1957 O PRO A 119 118.500 18.549 3.092 1.00 0.00 O ATOM 1958 CB PRO A 119 120.102 17.021 5.503 1.00 0.00 C ATOM 1959 CG PRO A 119 121.512 16.523 5.892 1.00 0.00 C ATOM 1960 CD PRO A 119 122.092 15.756 4.695 1.00 0.00 C ATOM 0 HA PRO A 119 119.076 16.202 3.717 1.00 0.00 H new ATOM 0 HB2 PRO A 119 119.982 18.071 5.771 1.00 0.00 H new ATOM 0 HB3 PRO A 119 119.338 16.464 6.046 1.00 0.00 H new ATOM 0 HG2 PRO A 119 122.154 17.364 6.153 1.00 0.00 H new ATOM 0 HG3 PRO A 119 121.460 15.878 6.769 1.00 0.00 H new ATOM 0 HD2 PRO A 119 123.146 15.983 4.534 1.00 0.00 H new ATOM 0 HD3 PRO A 119 122.015 14.676 4.824 1.00 0.00 H new ATOM 1968 N ALA A 120 120.660 18.838 2.814 1.00 0.00 N ATOM 1969 CA ALA A 120 120.442 20.131 2.104 1.00 0.00 C ATOM 1970 C ALA A 120 119.760 19.899 0.751 1.00 0.00 C ATOM 1971 O ALA A 120 118.684 20.403 0.495 1.00 0.00 O ATOM 1972 CB ALA A 120 121.790 20.806 1.866 1.00 0.00 C ATOM 0 H ALA A 120 121.635 18.558 2.918 1.00 0.00 H new ATOM 0 HA ALA A 120 119.802 20.762 2.720 1.00 0.00 H new ATOM 0 HB1 ALA A 120 121.637 21.752 1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 120 122.278 20.992 2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 120 122.420 20.157 1.258 1.00 0.00 H new ATOM 1978 N GLU A 121 120.379 19.149 -0.124 1.00 0.00 N ATOM 1979 CA GLU A 121 119.759 18.905 -1.459 1.00 0.00 C ATOM 1980 C GLU A 121 118.554 17.974 -1.308 1.00 0.00 C ATOM 1981 O GLU A 121 117.610 18.044 -2.067 1.00 0.00 O ATOM 1982 CB GLU A 121 120.796 18.302 -2.438 1.00 0.00 C ATOM 1983 CG GLU A 121 121.855 17.461 -1.686 1.00 0.00 C ATOM 1984 CD GLU A 121 123.126 18.292 -1.453 1.00 0.00 C ATOM 1985 OE1 GLU A 121 123.000 19.493 -1.274 1.00 0.00 O ATOM 1986 OE2 GLU A 121 124.200 17.715 -1.476 1.00 0.00 O ATOM 0 H GLU A 121 121.281 18.698 0.027 1.00 0.00 H new ATOM 0 HA GLU A 121 119.420 19.856 -1.870 1.00 0.00 H new ATOM 0 HB2 GLU A 121 120.286 17.678 -3.172 1.00 0.00 H new ATOM 0 HB3 GLU A 121 121.289 19.103 -2.989 1.00 0.00 H new ATOM 0 HG2 GLU A 121 121.452 17.125 -0.731 1.00 0.00 H new ATOM 0 HG3 GLU A 121 122.096 16.568 -2.262 1.00 0.00 H new ATOM 1993 N LEU A 122 118.567 17.105 -0.340 1.00 0.00 N ATOM 1994 CA LEU A 122 117.399 16.194 -0.174 1.00 0.00 C ATOM 1995 C LEU A 122 116.151 17.040 0.069 1.00 0.00 C ATOM 1996 O LEU A 122 115.109 16.806 -0.511 1.00 0.00 O ATOM 1997 CB LEU A 122 117.626 15.252 1.011 1.00 0.00 C ATOM 1998 CG LEU A 122 116.392 14.357 1.220 1.00 0.00 C ATOM 1999 CD1 LEU A 122 116.060 13.592 -0.073 1.00 0.00 C ATOM 2000 CD2 LEU A 122 116.695 13.357 2.336 1.00 0.00 C ATOM 0 H LEU A 122 119.322 16.984 0.335 1.00 0.00 H new ATOM 0 HA LEU A 122 117.273 15.592 -1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 122 118.506 14.635 0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 122 117.822 15.831 1.913 1.00 0.00 H new ATOM 0 HG LEU A 122 115.537 14.978 1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 122 115.185 12.963 0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 122 115.852 14.303 -0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 122 116.908 12.967 -0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 122 115.828 12.716 2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 122 117.552 12.745 2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 122 116.921 13.896 3.256 1.00 0.00 H new ATOM 2012 N GLN A 123 116.248 18.032 0.906 1.00 0.00 N ATOM 2013 CA GLN A 123 115.064 18.894 1.154 1.00 0.00 C ATOM 2014 C GLN A 123 114.648 19.531 -0.168 1.00 0.00 C ATOM 2015 O GLN A 123 113.480 19.630 -0.479 1.00 0.00 O ATOM 2016 CB GLN A 123 115.410 19.979 2.180 1.00 0.00 C ATOM 2017 CG GLN A 123 115.490 19.359 3.579 1.00 0.00 C ATOM 2018 CD GLN A 123 114.089 18.944 4.036 1.00 0.00 C ATOM 2019 OE1 GLN A 123 113.126 19.644 3.794 1.00 0.00 O ATOM 2020 NE2 GLN A 123 113.934 17.828 4.695 1.00 0.00 N ATOM 0 H GLN A 123 117.090 18.282 1.425 1.00 0.00 H new ATOM 0 HA GLN A 123 114.243 18.298 1.553 1.00 0.00 H new ATOM 0 HB2 GLN A 123 116.361 20.446 1.924 1.00 0.00 H new ATOM 0 HB3 GLN A 123 114.654 20.764 2.162 1.00 0.00 H new ATOM 0 HG2 GLN A 123 116.151 18.493 3.567 1.00 0.00 H new ATOM 0 HG3 GLN A 123 115.916 20.075 4.282 1.00 0.00 H new ATOM 0 HE21 GLN A 123 114.742 17.240 4.899 1.00 0.00 H new ATOM 0 HE22 GLN A 123 113.005 17.544 5.006 1.00 0.00 H new ATOM 2029 N ALA A 124 115.596 19.941 -0.964 1.00 0.00 N ATOM 2030 CA ALA A 124 115.235 20.541 -2.274 1.00 0.00 C ATOM 2031 C ALA A 124 114.460 19.494 -3.073 1.00 0.00 C ATOM 2032 O ALA A 124 113.497 19.799 -3.749 1.00 0.00 O ATOM 2033 CB ALA A 124 116.502 20.946 -3.034 1.00 0.00 C ATOM 0 H ALA A 124 116.595 19.887 -0.765 1.00 0.00 H new ATOM 0 HA ALA A 124 114.626 21.433 -2.126 1.00 0.00 H new ATOM 0 HB1 ALA A 124 116.226 21.385 -3.993 1.00 0.00 H new ATOM 0 HB2 ALA A 124 117.060 21.676 -2.448 1.00 0.00 H new ATOM 0 HB3 ALA A 124 117.122 20.066 -3.203 1.00 0.00 H new ATOM 2039 N ALA A 125 114.867 18.252 -2.988 1.00 0.00 N ATOM 2040 CA ALA A 125 114.145 17.179 -3.728 1.00 0.00 C ATOM 2041 C ALA A 125 112.739 17.025 -3.141 1.00 0.00 C ATOM 2042 O ALA A 125 111.758 17.001 -3.859 1.00 0.00 O ATOM 2043 CB ALA A 125 114.910 15.853 -3.596 1.00 0.00 C ATOM 0 H ALA A 125 115.667 17.938 -2.438 1.00 0.00 H new ATOM 0 HA ALA A 125 114.075 17.445 -4.783 1.00 0.00 H new ATOM 0 HB1 ALA A 125 114.379 15.071 -4.138 1.00 0.00 H new ATOM 0 HB2 ALA A 125 115.911 15.967 -4.012 1.00 0.00 H new ATOM 0 HB3 ALA A 125 114.984 15.579 -2.544 1.00 0.00 H new ATOM 2049 N ILE A 126 112.627 16.929 -1.842 1.00 0.00 N ATOM 2050 CA ILE A 126 111.273 16.786 -1.227 1.00 0.00 C ATOM 2051 C ILE A 126 110.509 18.105 -1.376 1.00 0.00 C ATOM 2052 O ILE A 126 109.332 18.122 -1.677 1.00 0.00 O ATOM 2053 CB ILE A 126 111.418 16.427 0.257 1.00 0.00 C ATOM 2054 CG1 ILE A 126 112.164 15.093 0.377 1.00 0.00 C ATOM 2055 CG2 ILE A 126 110.028 16.303 0.898 1.00 0.00 C ATOM 2056 CD1 ILE A 126 112.538 14.837 1.839 1.00 0.00 C ATOM 0 H ILE A 126 113.407 16.943 -1.185 1.00 0.00 H new ATOM 0 HA ILE A 126 110.722 15.992 -1.731 1.00 0.00 H new ATOM 0 HB ILE A 126 111.977 17.208 0.771 1.00 0.00 H new ATOM 0 HG12 ILE A 126 111.539 14.282 0.005 1.00 0.00 H new ATOM 0 HG13 ILE A 126 113.063 15.112 -0.240 1.00 0.00 H new ATOM 0 HG21 ILE A 126 110.135 16.048 1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 126 109.499 17.252 0.806 1.00 0.00 H new ATOM 0 HG23 ILE A 126 109.462 15.521 0.391 1.00 0.00 H new ATOM 0 HD11 ILE A 126 113.068 13.888 1.918 1.00 0.00 H new ATOM 0 HD12 ILE A 126 113.180 15.642 2.197 1.00 0.00 H new ATOM 0 HD13 ILE A 126 111.633 14.799 2.445 1.00 0.00 H new