USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 835 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 123 TYR OH : rot -143:sc= 1.59 USER MOD Set 1.2: A 138 LYS NZ :NH3+ 154:sc= 0.394 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -164:sc= -1.01 (180deg=-1.35!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -81:sc= 1.03 USER MOD Single : A 34 LYS NZ :NH3+ -171:sc= 1.23 (180deg=1.19) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00381 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.499 K(o=-0.5,f=-1.8) USER MOD Single : A 41 SER OG : rot 93:sc= 1.3 USER MOD Single : A 43 HIS : no HE2:sc= 1.23 K(o=1.2,f=-3.9!) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HE2:sc= 0.0784 K(o=0.078,f=-1.3) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.588 K(o=-0.59,f=-9.4!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -1.72 K(o=-1.7,f=-0.58) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0338 USER MOD Single : A 65 THR OG1 : rot 158:sc= 1.3 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0115 USER MOD Single : A 70 GLN : amide:sc= -0.0244 X(o=-0.024,f=0) USER MOD Single : A 74 GLN : amide:sc= -0.386 X(o=-0.39,f=-0.15) USER MOD Single : A 78 LYS NZ :NH3+ -164:sc=-0.00986 (180deg=-0.179) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 177:sc= 1.26 (180deg=1.21) USER MOD Single : A 99 TYR OH : rot -131:sc= 1.29 USER MOD Single : A 100 LYS NZ :NH3+ -178:sc= -0.528 (180deg=-0.529) USER MOD Single : A 104 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.1) USER MOD Single : A 105 SER OG : rot 175:sc= 1.94 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 170:sc= 0.999 USER MOD Single : A 132 CYS SG : rot -105:sc= -5.6! USER MOD Single : A 135 HIS : no HD1:sc= -0.001 X(o=-0.001,f=0) USER MOD Single : A 136 SER OG : rot -10:sc= 0.671 USER MOD Single : A 141 MET CE :methyl -171:sc= -0.025 (180deg=-0.205) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 143 LYS NZ :NH3+ -172:sc= 1.04 (180deg=0.703) USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 18 -16.987 12.029 11.020 1.00 5.21 N ATOM 61 CA ASP A 18 -15.920 11.387 11.781 1.00 15.45 C ATOM 62 C ASP A 18 -16.419 10.130 12.489 1.00 42.23 C ATOM 63 O ASP A 18 -15.697 9.135 12.613 1.00 1.13 O ATOM 64 CB ASP A 18 -15.354 12.382 12.773 1.00 4.40 C ATOM 65 CG ASP A 18 -14.362 11.782 13.729 1.00 53.44 C ATOM 66 OD1 ASP A 18 -13.184 11.564 13.356 1.00 33.42 O ATOM 67 OD2 ASP A 18 -14.747 11.536 14.877 1.00 1.24 O ATOM 0 HA ASP A 18 -15.134 11.073 11.095 1.00 15.45 H new ATOM 0 HB2 ASP A 18 -14.874 13.194 12.227 1.00 4.40 H new ATOM 0 HB3 ASP A 18 -16.174 12.821 13.342 1.00 4.40 H new ATOM 72 N LEU A 19 -17.660 10.170 12.933 1.00 42.40 N ATOM 73 CA LEU A 19 -18.305 9.026 13.545 1.00 24.23 C ATOM 74 C LEU A 19 -18.457 7.942 12.486 1.00 2.11 C ATOM 75 O LEU A 19 -18.258 6.754 12.750 1.00 31.15 O ATOM 76 CB LEU A 19 -19.672 9.463 14.171 1.00 43.33 C ATOM 77 CG LEU A 19 -20.550 8.407 14.916 1.00 5.35 C ATOM 78 CD1 LEU A 19 -21.281 7.480 13.957 1.00 72.21 C ATOM 79 CD2 LEU A 19 -19.714 7.597 15.898 1.00 75.23 C ATOM 0 H LEU A 19 -18.251 11.000 12.879 1.00 42.40 H new ATOM 0 HA LEU A 19 -17.706 8.621 14.360 1.00 24.23 H new ATOM 0 HB2 LEU A 19 -19.466 10.271 14.874 1.00 43.33 H new ATOM 0 HB3 LEU A 19 -20.278 9.885 13.369 1.00 43.33 H new ATOM 0 HG LEU A 19 -21.305 8.965 15.470 1.00 5.35 H new ATOM 0 HD11 LEU A 19 -21.877 6.765 14.525 1.00 72.21 H new ATOM 0 HD12 LEU A 19 -21.935 8.066 13.312 1.00 72.21 H new ATOM 0 HD13 LEU A 19 -20.555 6.943 13.346 1.00 72.21 H new ATOM 0 HD21 LEU A 19 -20.349 6.869 16.403 1.00 75.23 H new ATOM 0 HD22 LEU A 19 -18.923 7.076 15.359 1.00 75.23 H new ATOM 0 HD23 LEU A 19 -19.270 8.265 16.636 1.00 75.23 H new ATOM 91 N ASP A 20 -18.735 8.371 11.279 1.00 50.05 N ATOM 92 CA ASP A 20 -18.883 7.453 10.161 1.00 62.02 C ATOM 93 C ASP A 20 -17.526 6.855 9.798 1.00 74.54 C ATOM 94 O ASP A 20 -17.417 5.658 9.489 1.00 44.35 O ATOM 95 CB ASP A 20 -19.501 8.158 8.962 1.00 50.42 C ATOM 96 CG ASP A 20 -19.704 7.233 7.797 1.00 31.52 C ATOM 97 OD1 ASP A 20 -20.686 6.462 7.810 1.00 44.13 O ATOM 98 OD2 ASP A 20 -18.910 7.289 6.839 1.00 31.54 O ATOM 0 H ASP A 20 -18.865 9.354 11.039 1.00 50.05 H new ATOM 0 HA ASP A 20 -19.554 6.646 10.456 1.00 62.02 H new ATOM 0 HB2 ASP A 20 -20.459 8.589 9.252 1.00 50.42 H new ATOM 0 HB3 ASP A 20 -18.858 8.984 8.659 1.00 50.42 H new ATOM 103 N VAL A 21 -16.497 7.694 9.879 1.00 11.22 N ATOM 104 CA VAL A 21 -15.113 7.294 9.643 1.00 74.14 C ATOM 105 C VAL A 21 -14.706 6.200 10.610 1.00 24.34 C ATOM 106 O VAL A 21 -14.305 5.116 10.194 1.00 13.32 O ATOM 107 CB VAL A 21 -14.127 8.482 9.808 1.00 54.35 C ATOM 108 CG1 VAL A 21 -12.682 8.027 9.626 1.00 22.42 C ATOM 109 CG2 VAL A 21 -14.453 9.597 8.841 1.00 3.52 C ATOM 0 H VAL A 21 -16.602 8.681 10.113 1.00 11.22 H new ATOM 0 HA VAL A 21 -15.063 6.934 8.615 1.00 74.14 H new ATOM 0 HB VAL A 21 -14.240 8.864 10.823 1.00 54.35 H new ATOM 0 HG11 VAL A 21 -12.014 8.880 9.747 1.00 22.42 H new ATOM 0 HG12 VAL A 21 -12.442 7.270 10.372 1.00 22.42 H new ATOM 0 HG13 VAL A 21 -12.556 7.606 8.628 1.00 22.42 H new ATOM 0 HG21 VAL A 21 -13.747 10.416 8.978 1.00 3.52 H new ATOM 0 HG22 VAL A 21 -14.382 9.225 7.819 1.00 3.52 H new ATOM 0 HG23 VAL A 21 -15.465 9.956 9.027 1.00 3.52 H new ATOM 119 N LYS A 22 -14.834 6.476 11.895 1.00 64.52 N ATOM 120 CA LYS A 22 -14.455 5.511 12.909 1.00 53.53 C ATOM 121 C LYS A 22 -15.372 4.287 12.855 1.00 61.12 C ATOM 122 O LYS A 22 -14.979 3.198 13.250 1.00 34.14 O ATOM 123 CB LYS A 22 -14.417 6.138 14.313 1.00 44.21 C ATOM 124 CG LYS A 22 -15.761 6.605 14.837 1.00 21.40 C ATOM 125 CD LYS A 22 -15.665 7.282 16.205 1.00 12.32 C ATOM 126 CE LYS A 22 -15.228 8.764 16.145 1.00 34.01 C ATOM 127 NZ LYS A 22 -13.865 9.005 15.606 1.00 72.13 N ATOM 0 H LYS A 22 -15.196 7.357 12.260 1.00 64.52 H new ATOM 0 HA LYS A 22 -13.440 5.179 12.692 1.00 53.53 H new ATOM 0 HB2 LYS A 22 -14.004 5.409 15.010 1.00 44.21 H new ATOM 0 HB3 LYS A 22 -13.734 6.987 14.298 1.00 44.21 H new ATOM 0 HG2 LYS A 22 -16.201 7.301 14.123 1.00 21.40 H new ATOM 0 HG3 LYS A 22 -16.435 5.751 14.907 1.00 21.40 H new ATOM 0 HD2 LYS A 22 -16.635 7.220 16.698 1.00 12.32 H new ATOM 0 HD3 LYS A 22 -14.957 6.730 16.823 1.00 12.32 H new ATOM 0 HE2 LYS A 22 -15.944 9.312 15.533 1.00 34.01 H new ATOM 0 HE3 LYS A 22 -15.282 9.182 17.150 1.00 34.01 H new ATOM 0 HZ1 LYS A 22 -13.560 9.969 15.851 1.00 72.13 H new ATOM 0 HZ2 LYS A 22 -13.202 8.317 16.017 1.00 72.13 H new ATOM 0 HZ3 LYS A 22 -13.877 8.899 14.572 1.00 72.13 H new ATOM 141 N GLY A 23 -16.585 4.475 12.361 1.00 43.02 N ATOM 142 CA GLY A 23 -17.493 3.373 12.174 1.00 64.52 C ATOM 143 C GLY A 23 -16.999 2.415 11.104 1.00 20.21 C ATOM 144 O GLY A 23 -16.908 1.191 11.341 1.00 70.44 O ATOM 0 H GLY A 23 -16.957 5.384 12.084 1.00 43.02 H new ATOM 0 HA2 GLY A 23 -17.614 2.837 13.115 1.00 64.52 H new ATOM 0 HA3 GLY A 23 -18.476 3.754 11.896 1.00 64.52 H new ATOM 148 N LEU A 24 -16.643 2.958 9.934 1.00 41.10 N ATOM 149 CA LEU A 24 -16.162 2.122 8.840 1.00 13.43 C ATOM 150 C LEU A 24 -14.795 1.580 9.210 1.00 1.52 C ATOM 151 O LEU A 24 -14.490 0.439 8.943 1.00 31.03 O ATOM 152 CB LEU A 24 -16.124 2.907 7.483 1.00 5.13 C ATOM 153 CG LEU A 24 -14.955 3.903 7.243 1.00 43.44 C ATOM 154 CD1 LEU A 24 -13.762 3.236 6.542 1.00 0.42 C ATOM 155 CD2 LEU A 24 -15.411 5.133 6.481 1.00 52.21 C ATOM 0 H LEU A 24 -16.679 3.956 9.727 1.00 41.10 H new ATOM 0 HA LEU A 24 -16.853 1.292 8.691 1.00 13.43 H new ATOM 0 HB2 LEU A 24 -16.109 2.175 6.675 1.00 5.13 H new ATOM 0 HB3 LEU A 24 -17.058 3.462 7.393 1.00 5.13 H new ATOM 0 HG LEU A 24 -14.617 4.226 8.228 1.00 43.44 H new ATOM 0 HD11 LEU A 24 -12.970 3.970 6.395 1.00 0.42 H new ATOM 0 HD12 LEU A 24 -13.389 2.418 7.158 1.00 0.42 H new ATOM 0 HD13 LEU A 24 -14.080 2.847 5.575 1.00 0.42 H new ATOM 0 HD21 LEU A 24 -14.565 5.804 6.334 1.00 52.21 H new ATOM 0 HD22 LEU A 24 -15.810 4.833 5.512 1.00 52.21 H new ATOM 0 HD23 LEU A 24 -16.187 5.646 7.049 1.00 52.21 H new ATOM 167 N GLY A 25 -13.999 2.421 9.872 1.00 30.44 N ATOM 168 CA GLY A 25 -12.670 2.056 10.301 1.00 44.12 C ATOM 169 C GLY A 25 -12.692 0.921 11.284 1.00 11.22 C ATOM 170 O GLY A 25 -11.856 0.012 11.213 1.00 50.32 O ATOM 0 H GLY A 25 -14.268 3.373 10.121 1.00 30.44 H new ATOM 0 HA2 GLY A 25 -12.073 1.774 9.434 1.00 44.12 H new ATOM 0 HA3 GLY A 25 -12.185 2.920 10.755 1.00 44.12 H new ATOM 174 N TYR A 26 -13.646 0.953 12.198 1.00 24.44 N ATOM 175 CA TYR A 26 -13.780 -0.111 13.143 1.00 42.21 C ATOM 176 C TYR A 26 -14.215 -1.373 12.453 1.00 12.21 C ATOM 177 O TYR A 26 -13.631 -2.405 12.683 1.00 60.31 O ATOM 178 CB TYR A 26 -14.724 0.226 14.305 1.00 31.42 C ATOM 179 CG TYR A 26 -14.883 -0.927 15.273 1.00 44.14 C ATOM 180 CD1 TYR A 26 -16.051 -1.670 15.317 1.00 21.05 C ATOM 181 CD2 TYR A 26 -13.844 -1.296 16.107 1.00 40.10 C ATOM 182 CE1 TYR A 26 -16.179 -2.747 16.165 1.00 41.11 C ATOM 183 CE2 TYR A 26 -13.964 -2.368 16.964 1.00 0.34 C ATOM 184 CZ TYR A 26 -15.131 -3.090 16.987 1.00 4.12 C ATOM 185 OH TYR A 26 -15.248 -4.168 17.831 1.00 32.13 O ATOM 0 H TYR A 26 -14.329 1.704 12.296 1.00 24.44 H new ATOM 0 HA TYR A 26 -12.795 -0.262 13.584 1.00 42.21 H new ATOM 0 HB2 TYR A 26 -14.342 1.095 14.840 1.00 31.42 H new ATOM 0 HB3 TYR A 26 -15.701 0.501 13.908 1.00 31.42 H new ATOM 0 HD1 TYR A 26 -16.876 -1.400 14.675 1.00 21.05 H new ATOM 0 HD2 TYR A 26 -12.922 -0.734 16.086 1.00 40.10 H new ATOM 0 HE1 TYR A 26 -17.095 -3.318 16.185 1.00 41.11 H new ATOM 0 HE2 TYR A 26 -13.145 -2.639 17.614 1.00 0.34 H new ATOM 0 HH TYR A 26 -14.419 -4.275 18.342 1.00 32.13 H new ATOM 195 N ASP A 27 -15.212 -1.281 11.577 1.00 62.32 N ATOM 196 CA ASP A 27 -15.707 -2.477 10.879 1.00 74.42 C ATOM 197 C ASP A 27 -14.623 -3.072 10.005 1.00 73.42 C ATOM 198 O ASP A 27 -14.438 -4.272 9.980 1.00 71.02 O ATOM 199 CB ASP A 27 -16.957 -2.192 10.049 1.00 74.41 C ATOM 200 CG ASP A 27 -17.512 -3.453 9.390 1.00 11.55 C ATOM 201 OD1 ASP A 27 -18.082 -4.309 10.101 1.00 30.03 O ATOM 202 OD2 ASP A 27 -17.451 -3.582 8.152 1.00 30.21 O ATOM 0 H ASP A 27 -15.689 -0.413 11.333 1.00 62.32 H new ATOM 0 HA ASP A 27 -15.985 -3.199 11.647 1.00 74.42 H new ATOM 0 HB2 ASP A 27 -17.722 -1.751 10.688 1.00 74.41 H new ATOM 0 HB3 ASP A 27 -16.721 -1.456 9.280 1.00 74.41 H new ATOM 207 N PHE A 28 -13.864 -2.203 9.354 1.00 13.52 N ATOM 208 CA PHE A 28 -12.754 -2.587 8.500 1.00 62.23 C ATOM 209 C PHE A 28 -11.697 -3.325 9.321 1.00 21.13 C ATOM 210 O PHE A 28 -11.313 -4.449 9.000 1.00 52.24 O ATOM 211 CB PHE A 28 -12.203 -1.294 7.880 1.00 40.01 C ATOM 212 CG PHE A 28 -10.933 -1.356 7.085 1.00 62.10 C ATOM 213 CD1 PHE A 28 -9.714 -1.230 7.719 1.00 51.14 C ATOM 214 CD2 PHE A 28 -10.958 -1.448 5.702 1.00 2.31 C ATOM 215 CE1 PHE A 28 -8.546 -1.194 6.998 1.00 52.44 C ATOM 216 CE2 PHE A 28 -9.788 -1.427 4.975 1.00 22.32 C ATOM 217 CZ PHE A 28 -8.584 -1.294 5.618 1.00 72.22 C ATOM 0 H PHE A 28 -14.006 -1.194 9.406 1.00 13.52 H new ATOM 0 HA PHE A 28 -13.067 -3.269 7.710 1.00 62.23 H new ATOM 0 HB2 PHE A 28 -12.977 -0.883 7.233 1.00 40.01 H new ATOM 0 HB3 PHE A 28 -12.051 -0.579 8.689 1.00 40.01 H new ATOM 0 HD1 PHE A 28 -9.678 -1.159 8.796 1.00 51.14 H new ATOM 0 HD2 PHE A 28 -11.904 -1.537 5.189 1.00 2.31 H new ATOM 0 HE1 PHE A 28 -7.599 -1.088 7.507 1.00 52.44 H new ATOM 0 HE2 PHE A 28 -9.819 -1.515 3.899 1.00 22.32 H new ATOM 0 HZ PHE A 28 -7.667 -1.267 5.048 1.00 72.22 H new ATOM 227 N ILE A 29 -11.272 -2.724 10.403 1.00 24.54 N ATOM 228 CA ILE A 29 -10.275 -3.337 11.249 1.00 51.55 C ATOM 229 C ILE A 29 -10.815 -4.588 11.943 1.00 22.23 C ATOM 230 O ILE A 29 -10.096 -5.568 12.105 1.00 20.04 O ATOM 231 CB ILE A 29 -9.633 -2.313 12.231 1.00 64.44 C ATOM 232 CG1 ILE A 29 -8.561 -1.465 11.508 1.00 54.14 C ATOM 233 CG2 ILE A 29 -9.072 -2.956 13.504 1.00 75.44 C ATOM 234 CD1 ILE A 29 -7.422 -2.277 10.893 1.00 74.41 C ATOM 0 H ILE A 29 -11.599 -1.812 10.720 1.00 24.54 H new ATOM 0 HA ILE A 29 -9.462 -3.677 10.607 1.00 51.55 H new ATOM 0 HB ILE A 29 -10.437 -1.656 12.563 1.00 64.44 H new ATOM 0 HG12 ILE A 29 -9.044 -0.886 10.721 1.00 54.14 H new ATOM 0 HG13 ILE A 29 -8.141 -0.752 12.217 1.00 54.14 H new ATOM 0 HG21 ILE A 29 -8.640 -2.184 14.142 1.00 75.44 H new ATOM 0 HG22 ILE A 29 -9.875 -3.463 14.040 1.00 75.44 H new ATOM 0 HG23 ILE A 29 -8.301 -3.679 13.237 1.00 75.44 H new ATOM 0 HD11 ILE A 29 -6.716 -1.603 10.407 1.00 74.41 H new ATOM 0 HD12 ILE A 29 -6.910 -2.836 11.676 1.00 74.41 H new ATOM 0 HD13 ILE A 29 -7.827 -2.972 10.157 1.00 74.41 H new ATOM 246 N ASP A 30 -12.077 -4.565 12.296 1.00 2.53 N ATOM 247 CA ASP A 30 -12.743 -5.717 12.896 1.00 53.24 C ATOM 248 C ASP A 30 -12.770 -6.864 11.937 1.00 61.54 C ATOM 249 O ASP A 30 -12.394 -7.970 12.293 1.00 15.35 O ATOM 250 CB ASP A 30 -14.166 -5.379 13.352 1.00 50.31 C ATOM 251 CG ASP A 30 -14.937 -6.595 13.821 1.00 54.25 C ATOM 252 OD1 ASP A 30 -15.765 -7.121 13.054 1.00 21.41 O ATOM 253 OD2 ASP A 30 -14.732 -7.049 14.966 1.00 53.30 O ATOM 0 H ASP A 30 -12.680 -3.751 12.179 1.00 2.53 H new ATOM 0 HA ASP A 30 -12.169 -6.001 13.778 1.00 53.24 H new ATOM 0 HB2 ASP A 30 -14.120 -4.650 14.161 1.00 50.31 H new ATOM 0 HB3 ASP A 30 -14.704 -4.909 12.529 1.00 50.31 H new ATOM 258 N LEU A 31 -13.134 -6.600 10.700 1.00 44.32 N ATOM 259 CA LEU A 31 -13.212 -7.655 9.746 1.00 0.54 C ATOM 260 C LEU A 31 -11.824 -8.183 9.390 1.00 24.20 C ATOM 261 O LEU A 31 -11.661 -9.344 9.056 1.00 51.23 O ATOM 262 CB LEU A 31 -14.080 -7.282 8.528 1.00 64.31 C ATOM 263 CG LEU A 31 -13.619 -6.133 7.642 1.00 55.42 C ATOM 264 CD1 LEU A 31 -12.472 -6.546 6.754 1.00 23.54 C ATOM 265 CD2 LEU A 31 -14.769 -5.605 6.827 1.00 32.22 C ATOM 0 H LEU A 31 -13.375 -5.674 10.347 1.00 44.32 H new ATOM 0 HA LEU A 31 -13.737 -8.490 10.210 1.00 0.54 H new ATOM 0 HB2 LEU A 31 -14.174 -8.169 7.901 1.00 64.31 H new ATOM 0 HB3 LEU A 31 -15.079 -7.042 8.892 1.00 64.31 H new ATOM 0 HG LEU A 31 -13.258 -5.333 8.289 1.00 55.42 H new ATOM 0 HD11 LEU A 31 -12.169 -5.702 6.135 1.00 23.54 H new ATOM 0 HD12 LEU A 31 -11.631 -6.865 7.370 1.00 23.54 H new ATOM 0 HD13 LEU A 31 -12.786 -7.370 6.114 1.00 23.54 H new ATOM 0 HD21 LEU A 31 -14.423 -4.784 6.199 1.00 32.22 H new ATOM 0 HD22 LEU A 31 -15.165 -6.402 6.197 1.00 32.22 H new ATOM 0 HD23 LEU A 31 -15.553 -5.246 7.494 1.00 32.22 H new ATOM 277 N VAL A 32 -10.827 -7.317 9.483 1.00 74.31 N ATOM 278 CA VAL A 32 -9.450 -7.723 9.298 1.00 12.03 C ATOM 279 C VAL A 32 -8.976 -8.566 10.510 1.00 44.02 C ATOM 280 O VAL A 32 -8.109 -9.430 10.391 1.00 11.54 O ATOM 281 CB VAL A 32 -8.524 -6.474 9.061 1.00 35.14 C ATOM 282 CG1 VAL A 32 -7.053 -6.851 9.096 1.00 30.34 C ATOM 283 CG2 VAL A 32 -8.833 -5.844 7.709 1.00 42.53 C ATOM 0 H VAL A 32 -10.951 -6.325 9.687 1.00 74.31 H new ATOM 0 HA VAL A 32 -9.383 -8.347 8.407 1.00 12.03 H new ATOM 0 HB VAL A 32 -8.723 -5.766 9.865 1.00 35.14 H new ATOM 0 HG11 VAL A 32 -6.445 -5.962 8.928 1.00 30.34 H new ATOM 0 HG12 VAL A 32 -6.810 -7.278 10.069 1.00 30.34 H new ATOM 0 HG13 VAL A 32 -6.847 -7.584 8.316 1.00 30.34 H new ATOM 0 HG21 VAL A 32 -8.187 -4.980 7.554 1.00 42.53 H new ATOM 0 HG22 VAL A 32 -8.658 -6.574 6.919 1.00 42.53 H new ATOM 0 HG23 VAL A 32 -9.875 -5.526 7.685 1.00 42.53 H new ATOM 293 N THR A 33 -9.611 -8.378 11.648 1.00 73.10 N ATOM 294 CA THR A 33 -9.200 -9.064 12.847 1.00 54.13 C ATOM 295 C THR A 33 -10.185 -10.157 13.221 1.00 20.23 C ATOM 296 O THR A 33 -10.212 -10.610 14.366 1.00 71.00 O ATOM 297 CB THR A 33 -8.996 -8.080 14.022 1.00 72.34 C ATOM 298 OG1 THR A 33 -10.164 -7.269 14.204 1.00 55.42 O ATOM 299 CG2 THR A 33 -7.803 -7.186 13.760 1.00 53.13 C ATOM 0 H THR A 33 -10.411 -7.757 11.764 1.00 73.10 H new ATOM 0 HA THR A 33 -8.239 -9.534 12.638 1.00 54.13 H new ATOM 0 HB THR A 33 -8.818 -8.663 14.926 1.00 72.34 H new ATOM 0 HG1 THR A 33 -10.156 -6.533 13.557 1.00 55.42 H new ATOM 0 HG21 THR A 33 -7.673 -6.499 14.596 1.00 53.13 H new ATOM 0 HG22 THR A 33 -6.907 -7.797 13.650 1.00 53.13 H new ATOM 0 HG23 THR A 33 -7.969 -6.617 12.845 1.00 53.13 H new ATOM 307 N LYS A 34 -10.996 -10.579 12.241 1.00 13.25 N ATOM 308 CA LYS A 34 -11.922 -11.672 12.417 1.00 15.42 C ATOM 309 C LYS A 34 -11.213 -12.909 12.940 1.00 45.43 C ATOM 310 O LYS A 34 -10.088 -13.234 12.513 1.00 40.31 O ATOM 311 CB LYS A 34 -12.635 -12.031 11.108 1.00 12.01 C ATOM 312 CG LYS A 34 -13.695 -11.069 10.612 1.00 41.24 C ATOM 313 CD LYS A 34 -14.738 -10.733 11.673 1.00 4.55 C ATOM 314 CE LYS A 34 -15.894 -9.936 11.078 1.00 52.11 C ATOM 315 NZ LYS A 34 -16.811 -9.429 12.111 1.00 24.42 N ATOM 0 H LYS A 34 -11.018 -10.163 11.310 1.00 13.25 H new ATOM 0 HA LYS A 34 -12.662 -11.337 13.143 1.00 15.42 H new ATOM 0 HB2 LYS A 34 -11.880 -12.133 10.329 1.00 12.01 H new ATOM 0 HB3 LYS A 34 -13.098 -13.010 11.233 1.00 12.01 H new ATOM 0 HG2 LYS A 34 -13.215 -10.149 10.278 1.00 41.24 H new ATOM 0 HG3 LYS A 34 -14.193 -11.502 9.745 1.00 41.24 H new ATOM 0 HD2 LYS A 34 -15.118 -11.653 12.117 1.00 4.55 H new ATOM 0 HD3 LYS A 34 -14.273 -10.160 12.475 1.00 4.55 H new ATOM 0 HE2 LYS A 34 -15.498 -9.098 10.504 1.00 52.11 H new ATOM 0 HE3 LYS A 34 -16.447 -10.566 10.382 1.00 52.11 H new ATOM 0 HZ1 LYS A 34 -17.657 -9.028 11.658 1.00 24.42 H new ATOM 0 HZ2 LYS A 34 -17.092 -10.209 12.739 1.00 24.42 H new ATOM 0 HZ3 LYS A 34 -16.333 -8.691 12.667 1.00 24.42 H new ATOM 329 N SER A 35 -11.862 -13.569 13.864 1.00 43.42 N ATOM 330 CA SER A 35 -11.371 -14.777 14.462 1.00 44.41 C ATOM 331 C SER A 35 -11.279 -15.890 13.389 1.00 74.31 C ATOM 332 O SER A 35 -11.966 -15.814 12.363 1.00 52.41 O ATOM 333 CB SER A 35 -12.351 -15.168 15.573 1.00 52.41 C ATOM 334 OG SER A 35 -12.597 -14.055 16.435 1.00 62.04 O ATOM 0 H SER A 35 -12.767 -13.272 14.228 1.00 43.42 H new ATOM 0 HA SER A 35 -10.374 -14.635 14.878 1.00 44.41 H new ATOM 0 HB2 SER A 35 -13.288 -15.511 15.135 1.00 52.41 H new ATOM 0 HB3 SER A 35 -11.945 -15.999 16.149 1.00 52.41 H new ATOM 0 HG SER A 35 -13.226 -14.319 17.139 1.00 62.04 H new ATOM 340 N PRO A 36 -10.455 -16.961 13.621 1.00 73.34 N ATOM 341 CA PRO A 36 -10.290 -18.093 12.661 1.00 32.13 C ATOM 342 C PRO A 36 -11.609 -18.827 12.429 1.00 73.25 C ATOM 343 O PRO A 36 -11.732 -19.675 11.550 1.00 22.52 O ATOM 344 CB PRO A 36 -9.302 -19.033 13.360 1.00 43.43 C ATOM 345 CG PRO A 36 -8.657 -18.223 14.429 1.00 10.32 C ATOM 346 CD PRO A 36 -9.624 -17.151 14.822 1.00 3.33 C ATOM 0 HA PRO A 36 -9.950 -17.747 11.685 1.00 32.13 H new ATOM 0 HB2 PRO A 36 -9.816 -19.897 13.781 1.00 43.43 H new ATOM 0 HB3 PRO A 36 -8.561 -19.414 12.657 1.00 43.43 H new ATOM 0 HG2 PRO A 36 -8.407 -18.848 15.286 1.00 10.32 H new ATOM 0 HG3 PRO A 36 -7.725 -17.787 14.070 1.00 10.32 H new ATOM 0 HD2 PRO A 36 -10.226 -17.451 15.680 1.00 3.33 H new ATOM 0 HD3 PRO A 36 -9.109 -16.232 15.100 1.00 3.33 H new ATOM 354 N ASP A 37 -12.570 -18.498 13.258 1.00 5.32 N ATOM 355 CA ASP A 37 -13.934 -19.015 13.169 1.00 41.35 C ATOM 356 C ASP A 37 -14.640 -18.482 11.915 1.00 53.31 C ATOM 357 O ASP A 37 -15.549 -19.117 11.370 1.00 1.44 O ATOM 358 CB ASP A 37 -14.717 -18.618 14.417 1.00 74.30 C ATOM 359 CG ASP A 37 -16.131 -19.145 14.427 1.00 32.45 C ATOM 360 OD1 ASP A 37 -16.339 -20.314 14.826 1.00 21.42 O ATOM 361 OD2 ASP A 37 -17.063 -18.377 14.116 1.00 62.44 O ATOM 0 H ASP A 37 -12.433 -17.850 14.034 1.00 5.32 H new ATOM 0 HA ASP A 37 -13.889 -20.102 13.099 1.00 41.35 H new ATOM 0 HB2 ASP A 37 -14.193 -18.987 15.299 1.00 74.30 H new ATOM 0 HB3 ASP A 37 -14.741 -17.531 14.492 1.00 74.30 H new ATOM 366 N SER A 38 -14.204 -17.329 11.450 1.00 51.14 N ATOM 367 CA SER A 38 -14.757 -16.739 10.264 1.00 41.12 C ATOM 368 C SER A 38 -14.064 -17.394 9.057 1.00 2.41 C ATOM 369 O SER A 38 -13.105 -18.161 9.233 1.00 22.23 O ATOM 370 CB SER A 38 -14.536 -15.213 10.292 1.00 22.21 C ATOM 371 OG SER A 38 -15.245 -14.549 9.248 1.00 35.11 O ATOM 0 H SER A 38 -13.461 -16.783 11.886 1.00 51.14 H new ATOM 0 HA SER A 38 -15.832 -16.907 10.198 1.00 41.12 H new ATOM 0 HB2 SER A 38 -14.857 -14.818 11.256 1.00 22.21 H new ATOM 0 HB3 SER A 38 -13.471 -15.000 10.199 1.00 22.21 H new ATOM 0 HG SER A 38 -15.080 -13.585 9.302 1.00 35.11 H new ATOM 377 N VAL A 39 -14.526 -17.116 7.856 1.00 11.30 N ATOM 378 CA VAL A 39 -13.948 -17.741 6.683 1.00 1.10 C ATOM 379 C VAL A 39 -12.595 -17.135 6.350 1.00 54.45 C ATOM 380 O VAL A 39 -11.578 -17.841 6.310 1.00 12.42 O ATOM 381 CB VAL A 39 -14.879 -17.609 5.449 1.00 22.23 C ATOM 382 CG1 VAL A 39 -14.223 -18.172 4.185 1.00 33.51 C ATOM 383 CG2 VAL A 39 -16.226 -18.271 5.707 1.00 45.11 C ATOM 0 H VAL A 39 -15.291 -16.469 7.666 1.00 11.30 H new ATOM 0 HA VAL A 39 -13.823 -18.798 6.920 1.00 1.10 H new ATOM 0 HB VAL A 39 -15.051 -16.546 5.282 1.00 22.23 H new ATOM 0 HG11 VAL A 39 -14.905 -18.062 3.342 1.00 33.51 H new ATOM 0 HG12 VAL A 39 -13.301 -17.627 3.980 1.00 33.51 H new ATOM 0 HG13 VAL A 39 -13.995 -19.228 4.333 1.00 33.51 H new ATOM 0 HG21 VAL A 39 -16.859 -18.164 4.826 1.00 45.11 H new ATOM 0 HG22 VAL A 39 -16.076 -19.330 5.920 1.00 45.11 H new ATOM 0 HG23 VAL A 39 -16.708 -17.794 6.560 1.00 45.11 H new ATOM 393 N ASN A 40 -12.564 -15.836 6.205 1.00 71.22 N ATOM 394 CA ASN A 40 -11.374 -15.147 5.758 1.00 42.23 C ATOM 395 C ASN A 40 -11.550 -13.645 5.896 1.00 64.03 C ATOM 396 O ASN A 40 -12.506 -13.076 5.372 1.00 13.22 O ATOM 397 CB ASN A 40 -11.097 -15.543 4.286 1.00 1.44 C ATOM 398 CG ASN A 40 -9.978 -14.778 3.625 1.00 3.05 C ATOM 399 OD1 ASN A 40 -9.074 -14.297 4.268 1.00 11.43 O ATOM 400 ND2 ASN A 40 -10.024 -14.701 2.325 1.00 55.14 N ATOM 0 H ASN A 40 -13.359 -15.224 6.392 1.00 71.22 H new ATOM 0 HA ASN A 40 -10.522 -15.435 6.374 1.00 42.23 H new ATOM 0 HB2 ASN A 40 -10.862 -16.607 4.249 1.00 1.44 H new ATOM 0 HB3 ASN A 40 -12.009 -15.397 3.707 1.00 1.44 H new ATOM 0 HD21 ASN A 40 -9.281 -14.223 1.816 1.00 55.14 H new ATOM 0 HD22 ASN A 40 -10.803 -15.119 1.817 1.00 55.14 H new ATOM 407 N SER A 41 -10.626 -13.013 6.565 1.00 60.40 N ATOM 408 CA SER A 41 -10.652 -11.586 6.804 1.00 22.52 C ATOM 409 C SER A 41 -10.621 -10.792 5.491 1.00 65.14 C ATOM 410 O SER A 41 -11.358 -9.806 5.321 1.00 33.34 O ATOM 411 CB SER A 41 -9.490 -11.251 7.716 1.00 14.24 C ATOM 412 OG SER A 41 -8.423 -12.142 7.465 1.00 71.43 O ATOM 0 H SER A 41 -9.815 -13.480 6.970 1.00 60.40 H new ATOM 0 HA SER A 41 -11.585 -11.299 7.289 1.00 22.52 H new ATOM 0 HB2 SER A 41 -9.167 -10.223 7.549 1.00 14.24 H new ATOM 0 HB3 SER A 41 -9.800 -11.322 8.759 1.00 14.24 H new ATOM 0 HG SER A 41 -7.817 -11.749 6.803 1.00 71.43 H new ATOM 418 N GLU A 42 -9.830 -11.271 4.542 1.00 54.22 N ATOM 419 CA GLU A 42 -9.724 -10.665 3.233 1.00 22.43 C ATOM 420 C GLU A 42 -11.044 -10.802 2.471 1.00 41.14 C ATOM 421 O GLU A 42 -11.333 -10.020 1.568 1.00 51.35 O ATOM 422 CB GLU A 42 -8.557 -11.260 2.402 1.00 4.45 C ATOM 423 CG GLU A 42 -7.140 -11.016 2.955 1.00 11.23 C ATOM 424 CD GLU A 42 -6.810 -11.816 4.206 1.00 40.22 C ATOM 425 OE1 GLU A 42 -7.200 -11.405 5.305 1.00 61.45 O ATOM 426 OE2 GLU A 42 -6.158 -12.863 4.089 1.00 30.31 O ATOM 0 H GLU A 42 -9.242 -12.096 4.664 1.00 54.22 H new ATOM 0 HA GLU A 42 -9.506 -9.608 3.385 1.00 22.43 H new ATOM 0 HB2 GLU A 42 -8.711 -12.336 2.315 1.00 4.45 H new ATOM 0 HB3 GLU A 42 -8.608 -10.848 1.394 1.00 4.45 H new ATOM 0 HG2 GLU A 42 -6.413 -11.259 2.180 1.00 11.23 H new ATOM 0 HG3 GLU A 42 -7.027 -9.955 3.176 1.00 11.23 H new ATOM 433 N HIS A 43 -11.866 -11.771 2.873 1.00 55.20 N ATOM 434 CA HIS A 43 -13.158 -11.996 2.238 1.00 12.24 C ATOM 435 C HIS A 43 -14.089 -10.888 2.652 1.00 21.32 C ATOM 436 O HIS A 43 -14.722 -10.225 1.815 1.00 64.55 O ATOM 437 CB HIS A 43 -13.724 -13.376 2.642 1.00 72.12 C ATOM 438 CG HIS A 43 -15.114 -13.675 2.158 1.00 54.51 C ATOM 439 ND1 HIS A 43 -16.254 -13.469 2.914 1.00 74.30 N ATOM 440 CD2 HIS A 43 -15.537 -14.204 0.985 1.00 71.13 C ATOM 441 CE1 HIS A 43 -17.298 -13.871 2.200 1.00 32.50 C ATOM 442 NE2 HIS A 43 -16.922 -14.328 1.014 1.00 3.53 N ATOM 0 H HIS A 43 -11.657 -12.413 3.638 1.00 55.20 H new ATOM 0 HA HIS A 43 -13.049 -11.993 1.154 1.00 12.24 H new ATOM 0 HB2 HIS A 43 -13.053 -14.148 2.265 1.00 72.12 H new ATOM 0 HB3 HIS A 43 -13.714 -13.448 3.730 1.00 72.12 H new ATOM 0 HD1 HIS A 43 -16.287 -13.077 3.855 1.00 74.30 H new ATOM 0 HD2 HIS A 43 -14.900 -14.485 0.159 1.00 71.13 H new ATOM 0 HE1 HIS A 43 -18.322 -13.831 2.541 1.00 32.50 H new ATOM 450 N GLU A 44 -14.118 -10.653 3.942 1.00 55.42 N ATOM 451 CA GLU A 44 -14.932 -9.632 4.512 1.00 63.10 C ATOM 452 C GLU A 44 -14.466 -8.275 4.016 1.00 31.45 C ATOM 453 O GLU A 44 -15.269 -7.391 3.772 1.00 15.10 O ATOM 454 CB GLU A 44 -14.827 -9.715 6.013 1.00 41.11 C ATOM 455 CG GLU A 44 -15.138 -11.095 6.556 1.00 21.12 C ATOM 456 CD GLU A 44 -16.550 -11.535 6.273 1.00 1.31 C ATOM 457 OE1 GLU A 44 -17.484 -10.999 6.880 1.00 42.32 O ATOM 458 OE2 GLU A 44 -16.749 -12.450 5.431 1.00 30.33 O ATOM 0 H GLU A 44 -13.568 -11.176 4.624 1.00 55.42 H new ATOM 0 HA GLU A 44 -15.973 -9.766 4.216 1.00 63.10 H new ATOM 0 HB2 GLU A 44 -13.820 -9.430 6.317 1.00 41.11 H new ATOM 0 HB3 GLU A 44 -15.511 -8.993 6.459 1.00 41.11 H new ATOM 0 HG2 GLU A 44 -14.445 -11.815 6.121 1.00 21.12 H new ATOM 0 HG3 GLU A 44 -14.970 -11.102 7.633 1.00 21.12 H new ATOM 465 N LEU A 45 -13.158 -8.135 3.826 1.00 12.13 N ATOM 466 CA LEU A 45 -12.600 -6.914 3.333 1.00 51.43 C ATOM 467 C LEU A 45 -13.036 -6.672 1.898 1.00 15.22 C ATOM 468 O LEU A 45 -13.413 -5.560 1.543 1.00 22.10 O ATOM 469 CB LEU A 45 -11.082 -6.925 3.437 1.00 42.50 C ATOM 470 CG LEU A 45 -10.413 -5.612 3.081 1.00 33.55 C ATOM 471 CD1 LEU A 45 -10.859 -4.523 4.028 1.00 70.30 C ATOM 472 CD2 LEU A 45 -8.904 -5.747 3.059 1.00 11.34 C ATOM 0 H LEU A 45 -12.473 -8.867 4.012 1.00 12.13 H new ATOM 0 HA LEU A 45 -12.973 -6.098 3.951 1.00 51.43 H new ATOM 0 HB2 LEU A 45 -10.803 -7.195 4.456 1.00 42.50 H new ATOM 0 HB3 LEU A 45 -10.692 -7.705 2.783 1.00 42.50 H new ATOM 0 HG LEU A 45 -10.721 -5.333 2.073 1.00 33.55 H new ATOM 0 HD11 LEU A 45 -10.371 -3.586 3.761 1.00 70.30 H new ATOM 0 HD12 LEU A 45 -11.940 -4.401 3.959 1.00 70.30 H new ATOM 0 HD13 LEU A 45 -10.588 -4.795 5.048 1.00 70.30 H new ATOM 0 HD21 LEU A 45 -8.457 -4.787 2.800 1.00 11.34 H new ATOM 0 HD22 LEU A 45 -8.552 -6.058 4.043 1.00 11.34 H new ATOM 0 HD23 LEU A 45 -8.616 -6.493 2.318 1.00 11.34 H new ATOM 484 N ALA A 46 -13.022 -7.726 1.093 1.00 3.42 N ATOM 485 CA ALA A 46 -13.454 -7.646 -0.295 1.00 74.24 C ATOM 486 C ALA A 46 -14.929 -7.280 -0.369 1.00 72.05 C ATOM 487 O ALA A 46 -15.377 -6.605 -1.294 1.00 51.23 O ATOM 488 CB ALA A 46 -13.189 -8.957 -1.020 1.00 14.12 C ATOM 0 H ALA A 46 -12.713 -8.654 1.381 1.00 3.42 H new ATOM 0 HA ALA A 46 -12.878 -6.864 -0.790 1.00 74.24 H new ATOM 0 HB1 ALA A 46 -13.520 -8.874 -2.055 1.00 14.12 H new ATOM 0 HB2 ALA A 46 -12.122 -9.176 -0.997 1.00 14.12 H new ATOM 0 HB3 ALA A 46 -13.736 -9.762 -0.528 1.00 14.12 H new ATOM 494 N HIS A 47 -15.670 -7.723 0.614 1.00 60.24 N ATOM 495 CA HIS A 47 -17.083 -7.406 0.709 1.00 71.21 C ATOM 496 C HIS A 47 -17.273 -5.945 1.170 1.00 54.21 C ATOM 497 O HIS A 47 -18.173 -5.244 0.699 1.00 3.40 O ATOM 498 CB HIS A 47 -17.780 -8.393 1.671 1.00 34.22 C ATOM 499 CG HIS A 47 -19.273 -8.239 1.762 1.00 62.45 C ATOM 500 ND1 HIS A 47 -20.162 -8.890 0.938 1.00 32.32 N ATOM 501 CD2 HIS A 47 -20.026 -7.506 2.614 1.00 3.23 C ATOM 502 CE1 HIS A 47 -21.394 -8.545 1.300 1.00 41.31 C ATOM 503 NE2 HIS A 47 -21.372 -7.704 2.318 1.00 34.21 N ATOM 0 H HIS A 47 -15.319 -8.311 1.370 1.00 60.24 H new ATOM 0 HA HIS A 47 -17.542 -7.508 -0.274 1.00 71.21 H new ATOM 0 HB2 HIS A 47 -17.553 -9.410 1.352 1.00 34.22 H new ATOM 0 HB3 HIS A 47 -17.355 -8.269 2.667 1.00 34.22 H new ATOM 0 HD2 HIS A 47 -19.644 -6.869 3.398 1.00 3.23 H new ATOM 0 HE1 HIS A 47 -22.294 -8.905 0.824 1.00 41.31 H new ATOM 0 HE2 HIS A 47 -22.174 -7.286 2.789 1.00 34.21 H new ATOM 511 N PHE A 48 -16.388 -5.492 2.046 1.00 53.32 N ATOM 512 CA PHE A 48 -16.433 -4.157 2.606 1.00 43.23 C ATOM 513 C PHE A 48 -16.126 -3.122 1.547 1.00 5.01 C ATOM 514 O PHE A 48 -16.770 -2.074 1.477 1.00 0.20 O ATOM 515 CB PHE A 48 -15.412 -4.065 3.747 1.00 54.25 C ATOM 516 CG PHE A 48 -15.222 -2.697 4.336 1.00 72.05 C ATOM 517 CD1 PHE A 48 -14.244 -1.857 3.845 1.00 41.35 C ATOM 518 CD2 PHE A 48 -16.013 -2.261 5.373 1.00 41.42 C ATOM 519 CE1 PHE A 48 -14.058 -0.599 4.376 1.00 40.15 C ATOM 520 CE2 PHE A 48 -15.836 -1.003 5.915 1.00 41.12 C ATOM 521 CZ PHE A 48 -14.856 -0.171 5.414 1.00 63.52 C ATOM 0 H PHE A 48 -15.609 -6.053 2.390 1.00 53.32 H new ATOM 0 HA PHE A 48 -17.435 -3.960 2.988 1.00 43.23 H new ATOM 0 HB2 PHE A 48 -15.720 -4.744 4.542 1.00 54.25 H new ATOM 0 HB3 PHE A 48 -14.449 -4.420 3.379 1.00 54.25 H new ATOM 0 HD1 PHE A 48 -13.615 -2.190 3.033 1.00 41.35 H new ATOM 0 HD2 PHE A 48 -16.781 -2.909 5.768 1.00 41.42 H new ATOM 0 HE1 PHE A 48 -13.290 0.049 3.980 1.00 40.15 H new ATOM 0 HE2 PHE A 48 -16.463 -0.671 6.729 1.00 41.12 H new ATOM 0 HZ PHE A 48 -14.715 0.814 5.835 1.00 63.52 H new ATOM 531 N LEU A 49 -15.148 -3.421 0.724 1.00 31.41 N ATOM 532 CA LEU A 49 -14.709 -2.500 -0.298 1.00 70.22 C ATOM 533 C LEU A 49 -15.633 -2.510 -1.500 1.00 62.11 C ATOM 534 O LEU A 49 -15.492 -1.699 -2.365 1.00 22.11 O ATOM 535 CB LEU A 49 -13.239 -2.774 -0.689 1.00 41.32 C ATOM 536 CG LEU A 49 -12.912 -4.158 -1.269 1.00 11.04 C ATOM 537 CD1 LEU A 49 -13.284 -4.278 -2.739 1.00 34.20 C ATOM 538 CD2 LEU A 49 -11.464 -4.506 -1.039 1.00 54.15 C ATOM 0 H LEU A 49 -14.637 -4.304 0.743 1.00 31.41 H new ATOM 0 HA LEU A 49 -14.755 -1.493 0.116 1.00 70.22 H new ATOM 0 HB2 LEU A 49 -12.938 -2.022 -1.419 1.00 41.32 H new ATOM 0 HB3 LEU A 49 -12.621 -2.624 0.196 1.00 41.32 H new ATOM 0 HG LEU A 49 -13.528 -4.882 -0.735 1.00 11.04 H new ATOM 0 HD11 LEU A 49 -13.032 -5.276 -3.098 1.00 34.20 H new ATOM 0 HD12 LEU A 49 -14.354 -4.109 -2.858 1.00 34.20 H new ATOM 0 HD13 LEU A 49 -12.733 -3.535 -3.316 1.00 34.20 H new ATOM 0 HD21 LEU A 49 -11.255 -5.490 -1.458 1.00 54.15 H new ATOM 0 HD22 LEU A 49 -10.830 -3.763 -1.524 1.00 54.15 H new ATOM 0 HD23 LEU A 49 -11.258 -4.516 0.031 1.00 54.15 H new ATOM 550 N GLY A 50 -16.567 -3.445 -1.523 1.00 53.31 N ATOM 551 CA GLY A 50 -17.547 -3.553 -2.612 1.00 44.15 C ATOM 552 C GLY A 50 -18.207 -2.210 -3.000 1.00 34.14 C ATOM 553 O GLY A 50 -18.169 -1.824 -4.155 1.00 25.31 O ATOM 0 H GLY A 50 -16.675 -4.152 -0.795 1.00 53.31 H new ATOM 0 HA2 GLY A 50 -17.054 -3.971 -3.490 1.00 44.15 H new ATOM 0 HA3 GLY A 50 -18.325 -4.257 -2.318 1.00 44.15 H new ATOM 557 N PRO A 51 -18.835 -1.482 -2.059 1.00 63.12 N ATOM 558 CA PRO A 51 -19.401 -0.151 -2.322 1.00 51.03 C ATOM 559 C PRO A 51 -18.318 0.958 -2.353 1.00 61.34 C ATOM 560 O PRO A 51 -18.607 2.133 -2.622 1.00 12.35 O ATOM 561 CB PRO A 51 -20.360 0.084 -1.137 1.00 3.20 C ATOM 562 CG PRO A 51 -20.424 -1.216 -0.406 1.00 64.11 C ATOM 563 CD PRO A 51 -19.128 -1.905 -0.681 1.00 24.43 C ATOM 0 HA PRO A 51 -19.887 -0.111 -3.297 1.00 51.03 H new ATOM 0 HB2 PRO A 51 -19.994 0.880 -0.489 1.00 3.20 H new ATOM 0 HB3 PRO A 51 -21.347 0.386 -1.486 1.00 3.20 H new ATOM 0 HG2 PRO A 51 -20.562 -1.056 0.663 1.00 64.11 H new ATOM 0 HG3 PRO A 51 -21.266 -1.816 -0.750 1.00 64.11 H new ATOM 0 HD2 PRO A 51 -18.347 -1.596 0.014 1.00 24.43 H new ATOM 0 HD3 PRO A 51 -19.218 -2.988 -0.598 1.00 24.43 H new ATOM 571 N HIS A 52 -17.079 0.588 -2.069 1.00 55.21 N ATOM 572 CA HIS A 52 -16.030 1.557 -1.821 1.00 62.34 C ATOM 573 C HIS A 52 -14.810 1.240 -2.672 1.00 3.44 C ATOM 574 O HIS A 52 -13.701 1.592 -2.294 1.00 72.25 O ATOM 575 CB HIS A 52 -15.609 1.528 -0.318 1.00 41.54 C ATOM 576 CG HIS A 52 -16.683 1.893 0.685 1.00 24.42 C ATOM 577 ND1 HIS A 52 -16.920 3.176 1.144 1.00 53.25 N ATOM 578 CD2 HIS A 52 -17.562 1.103 1.348 1.00 74.14 C ATOM 579 CE1 HIS A 52 -17.899 3.124 2.044 1.00 64.51 C ATOM 580 NE2 HIS A 52 -18.329 1.886 2.206 1.00 35.22 N ATOM 0 H HIS A 52 -16.777 -0.384 -2.005 1.00 55.21 H new ATOM 0 HA HIS A 52 -16.414 2.545 -2.077 1.00 62.34 H new ATOM 0 HB2 HIS A 52 -15.247 0.527 -0.083 1.00 41.54 H new ATOM 0 HB3 HIS A 52 -14.769 2.210 -0.184 1.00 41.54 H new ATOM 0 HD1 HIS A 52 -16.429 4.018 0.844 1.00 53.25 H new ATOM 0 HD2 HIS A 52 -17.653 0.033 1.229 1.00 74.14 H new ATOM 0 HE1 HIS A 52 -18.290 3.981 2.572 1.00 64.51 H new ATOM 588 N ASP A 53 -15.042 0.612 -3.830 1.00 30.11 N ATOM 589 CA ASP A 53 -13.972 0.143 -4.731 1.00 15.31 C ATOM 590 C ASP A 53 -13.038 1.280 -5.126 1.00 43.55 C ATOM 591 O ASP A 53 -13.482 2.255 -5.749 1.00 4.21 O ATOM 592 CB ASP A 53 -14.558 -0.409 -6.034 1.00 61.04 C ATOM 593 CG ASP A 53 -15.418 -1.648 -5.948 1.00 74.24 C ATOM 594 OD1 ASP A 53 -16.560 -1.603 -6.495 1.00 0.54 O ATOM 595 OD2 ASP A 53 -14.988 -2.677 -5.396 1.00 14.15 O ATOM 0 H ASP A 53 -15.981 0.412 -4.174 1.00 30.11 H new ATOM 0 HA ASP A 53 -13.430 -0.628 -4.184 1.00 15.31 H new ATOM 0 HB2 ASP A 53 -15.152 0.380 -6.495 1.00 61.04 H new ATOM 0 HB3 ASP A 53 -13.730 -0.622 -6.710 1.00 61.04 H new ATOM 600 N PRO A 54 -11.759 1.211 -4.730 1.00 32.43 N ATOM 601 CA PRO A 54 -10.744 2.181 -5.107 1.00 32.03 C ATOM 602 C PRO A 54 -9.722 1.577 -6.114 1.00 74.23 C ATOM 603 O PRO A 54 -10.018 0.584 -6.801 1.00 21.43 O ATOM 604 CB PRO A 54 -10.073 2.389 -3.755 1.00 75.53 C ATOM 605 CG PRO A 54 -10.076 1.015 -3.122 1.00 55.23 C ATOM 606 CD PRO A 54 -11.193 0.227 -3.790 1.00 22.14 C ATOM 0 HA PRO A 54 -11.132 3.076 -5.594 1.00 32.03 H new ATOM 0 HB2 PRO A 54 -9.059 2.773 -3.869 1.00 75.53 H new ATOM 0 HB3 PRO A 54 -10.620 3.109 -3.146 1.00 75.53 H new ATOM 0 HG2 PRO A 54 -9.115 0.521 -3.265 1.00 55.23 H new ATOM 0 HG3 PRO A 54 -10.241 1.085 -2.047 1.00 55.23 H new ATOM 0 HD2 PRO A 54 -10.815 -0.656 -4.305 1.00 22.14 H new ATOM 0 HD3 PRO A 54 -11.934 -0.118 -3.069 1.00 22.14 H new ATOM 614 N GLU A 55 -8.530 2.172 -6.191 1.00 21.44 N ATOM 615 CA GLU A 55 -7.464 1.637 -7.016 1.00 54.52 C ATOM 616 C GLU A 55 -6.709 0.628 -6.204 1.00 51.41 C ATOM 617 O GLU A 55 -6.268 0.931 -5.090 1.00 2.52 O ATOM 618 CB GLU A 55 -6.489 2.728 -7.498 1.00 33.02 C ATOM 619 CG GLU A 55 -7.027 3.704 -8.540 1.00 63.32 C ATOM 620 CD GLU A 55 -8.077 4.654 -8.029 1.00 34.35 C ATOM 621 OE1 GLU A 55 -7.709 5.720 -7.499 1.00 11.21 O ATOM 622 OE2 GLU A 55 -9.272 4.379 -8.196 1.00 3.20 O ATOM 0 H GLU A 55 -8.286 3.025 -5.688 1.00 21.44 H new ATOM 0 HA GLU A 55 -7.910 1.188 -7.903 1.00 54.52 H new ATOM 0 HB2 GLU A 55 -6.161 3.301 -6.631 1.00 33.02 H new ATOM 0 HB3 GLU A 55 -5.606 2.240 -7.911 1.00 33.02 H new ATOM 0 HG2 GLU A 55 -6.195 4.284 -8.939 1.00 63.32 H new ATOM 0 HG3 GLU A 55 -7.445 3.134 -9.370 1.00 63.32 H new ATOM 629 N ILE A 56 -6.570 -0.554 -6.716 1.00 62.33 N ATOM 630 CA ILE A 56 -5.896 -1.587 -5.992 1.00 73.14 C ATOM 631 C ILE A 56 -4.596 -1.914 -6.696 1.00 72.34 C ATOM 632 O ILE A 56 -4.599 -2.480 -7.735 1.00 44.34 O ATOM 633 CB ILE A 56 -6.788 -2.843 -5.894 1.00 11.43 C ATOM 634 CG1 ILE A 56 -8.110 -2.492 -5.180 1.00 63.11 C ATOM 635 CG2 ILE A 56 -6.042 -3.920 -5.125 1.00 30.31 C ATOM 636 CD1 ILE A 56 -9.267 -3.416 -5.496 1.00 41.24 C ATOM 0 H ILE A 56 -6.915 -0.829 -7.636 1.00 62.33 H new ATOM 0 HA ILE A 56 -5.683 -1.244 -4.979 1.00 73.14 H new ATOM 0 HB ILE A 56 -7.022 -3.210 -6.893 1.00 11.43 H new ATOM 0 HG12 ILE A 56 -7.939 -2.502 -4.104 1.00 63.11 H new ATOM 0 HG13 ILE A 56 -8.392 -1.474 -5.448 1.00 63.11 H new ATOM 0 HG21 ILE A 56 -6.665 -4.812 -5.051 1.00 30.31 H new ATOM 0 HG22 ILE A 56 -5.117 -4.166 -5.647 1.00 30.31 H new ATOM 0 HG23 ILE A 56 -5.808 -3.557 -4.124 1.00 30.31 H new ATOM 0 HD11 ILE A 56 -10.152 -3.091 -4.949 1.00 41.24 H new ATOM 0 HD12 ILE A 56 -9.472 -3.390 -6.566 1.00 41.24 H new ATOM 0 HD13 ILE A 56 -9.011 -4.434 -5.200 1.00 41.24 H new ATOM 648 N TYR A 57 -3.511 -1.519 -6.141 1.00 3.12 N ATOM 649 CA TYR A 57 -2.222 -1.742 -6.751 1.00 55.21 C ATOM 650 C TYR A 57 -1.668 -3.053 -6.296 1.00 70.22 C ATOM 651 O TYR A 57 -1.755 -3.379 -5.136 1.00 60.44 O ATOM 652 CB TYR A 57 -1.249 -0.611 -6.388 1.00 72.42 C ATOM 653 CG TYR A 57 -1.627 0.740 -6.951 1.00 3.51 C ATOM 654 CD1 TYR A 57 -1.011 1.224 -8.091 1.00 42.55 C ATOM 655 CD2 TYR A 57 -2.607 1.527 -6.350 1.00 43.52 C ATOM 656 CE1 TYR A 57 -1.354 2.447 -8.618 1.00 3.53 C ATOM 657 CE2 TYR A 57 -2.954 2.753 -6.875 1.00 45.55 C ATOM 658 CZ TYR A 57 -2.325 3.207 -8.007 1.00 63.03 C ATOM 659 OH TYR A 57 -2.674 4.426 -8.548 1.00 1.45 O ATOM 0 H TYR A 57 -3.475 -1.029 -5.247 1.00 3.12 H new ATOM 0 HA TYR A 57 -2.347 -1.757 -7.834 1.00 55.21 H new ATOM 0 HB2 TYR A 57 -1.188 -0.535 -5.302 1.00 72.42 H new ATOM 0 HB3 TYR A 57 -0.254 -0.875 -6.746 1.00 72.42 H new ATOM 0 HD1 TYR A 57 -0.248 0.632 -8.575 1.00 42.55 H new ATOM 0 HD2 TYR A 57 -3.102 1.171 -5.459 1.00 43.52 H new ATOM 0 HE1 TYR A 57 -0.863 2.810 -9.509 1.00 3.53 H new ATOM 0 HE2 TYR A 57 -3.716 3.352 -6.399 1.00 45.55 H new ATOM 0 HH TYR A 57 -3.374 4.838 -8.000 1.00 1.45 H new ATOM 669 N VAL A 58 -1.133 -3.816 -7.201 1.00 53.24 N ATOM 670 CA VAL A 58 -0.480 -5.024 -6.826 1.00 21.21 C ATOM 671 C VAL A 58 0.901 -4.986 -7.409 1.00 15.25 C ATOM 672 O VAL A 58 1.073 -4.790 -8.614 1.00 53.32 O ATOM 673 CB VAL A 58 -1.251 -6.344 -7.223 1.00 64.04 C ATOM 674 CG1 VAL A 58 -1.106 -6.739 -8.679 1.00 21.14 C ATOM 675 CG2 VAL A 58 -0.880 -7.491 -6.307 1.00 50.33 C ATOM 0 H VAL A 58 -1.138 -3.620 -8.202 1.00 53.24 H new ATOM 0 HA VAL A 58 -0.449 -5.070 -5.737 1.00 21.21 H new ATOM 0 HB VAL A 58 -2.308 -6.111 -7.090 1.00 64.04 H new ATOM 0 HG11 VAL A 58 -1.666 -7.655 -8.865 1.00 21.14 H new ATOM 0 HG12 VAL A 58 -1.494 -5.941 -9.313 1.00 21.14 H new ATOM 0 HG13 VAL A 58 -0.053 -6.905 -8.908 1.00 21.14 H new ATOM 0 HG21 VAL A 58 -1.426 -8.386 -6.605 1.00 50.33 H new ATOM 0 HG22 VAL A 58 0.191 -7.680 -6.376 1.00 50.33 H new ATOM 0 HG23 VAL A 58 -1.137 -7.234 -5.279 1.00 50.33 H new ATOM 685 N ASN A 59 1.877 -5.007 -6.535 1.00 4.35 N ATOM 686 CA ASN A 59 3.296 -5.011 -6.894 1.00 63.23 C ATOM 687 C ASN A 59 3.669 -3.728 -7.641 1.00 55.03 C ATOM 688 O ASN A 59 4.693 -3.650 -8.303 1.00 35.21 O ATOM 689 CB ASN A 59 3.608 -6.271 -7.725 1.00 24.42 C ATOM 690 CG ASN A 59 3.258 -7.537 -6.959 1.00 4.30 C ATOM 691 OD1 ASN A 59 3.410 -7.599 -5.735 1.00 50.23 O ATOM 692 ND2 ASN A 59 2.695 -8.508 -7.639 1.00 34.32 N ATOM 0 H ASN A 59 1.716 -5.022 -5.528 1.00 4.35 H new ATOM 0 HA ASN A 59 3.902 -5.038 -5.988 1.00 63.23 H new ATOM 0 HB2 ASN A 59 3.047 -6.242 -8.659 1.00 24.42 H new ATOM 0 HB3 ASN A 59 4.666 -6.283 -7.988 1.00 24.42 H new ATOM 0 HD21 ASN A 59 2.368 -9.345 -7.157 1.00 34.32 H new ATOM 0 HD22 ASN A 59 2.584 -8.425 -8.650 1.00 34.32 H new ATOM 699 N GLY A 60 2.842 -2.703 -7.461 1.00 1.21 N ATOM 700 CA GLY A 60 3.055 -1.431 -8.113 1.00 25.44 C ATOM 701 C GLY A 60 2.191 -1.261 -9.353 1.00 62.21 C ATOM 702 O GLY A 60 2.158 -0.190 -9.947 1.00 63.55 O ATOM 0 H GLY A 60 2.016 -2.737 -6.864 1.00 1.21 H new ATOM 0 HA2 GLY A 60 2.840 -0.626 -7.411 1.00 25.44 H new ATOM 0 HA3 GLY A 60 4.105 -1.340 -8.390 1.00 25.44 H new ATOM 706 N LYS A 61 1.466 -2.302 -9.727 1.00 42.12 N ATOM 707 CA LYS A 61 0.645 -2.271 -10.905 1.00 15.11 C ATOM 708 C LYS A 61 -0.771 -2.015 -10.505 1.00 53.14 C ATOM 709 O LYS A 61 -1.304 -2.723 -9.658 1.00 3.32 O ATOM 710 CB LYS A 61 0.759 -3.593 -11.679 1.00 73.42 C ATOM 711 CG LYS A 61 2.156 -3.903 -12.211 1.00 53.45 C ATOM 712 CD LYS A 61 2.634 -2.843 -13.197 1.00 31.44 C ATOM 713 CE LYS A 61 1.745 -2.772 -14.424 1.00 44.14 C ATOM 714 NZ LYS A 61 2.197 -1.756 -15.392 1.00 33.54 N ATOM 0 H LYS A 61 1.436 -3.185 -9.218 1.00 42.12 H new ATOM 0 HA LYS A 61 0.985 -1.471 -11.563 1.00 15.11 H new ATOM 0 HB2 LYS A 61 0.444 -4.408 -11.027 1.00 73.42 H new ATOM 0 HB3 LYS A 61 0.063 -3.568 -12.518 1.00 73.42 H new ATOM 0 HG2 LYS A 61 2.856 -3.967 -11.378 1.00 53.45 H new ATOM 0 HG3 LYS A 61 2.151 -4.878 -12.699 1.00 53.45 H new ATOM 0 HD2 LYS A 61 2.652 -1.871 -12.705 1.00 31.44 H new ATOM 0 HD3 LYS A 61 3.657 -3.065 -13.502 1.00 31.44 H new ATOM 0 HE2 LYS A 61 1.724 -3.748 -14.910 1.00 44.14 H new ATOM 0 HE3 LYS A 61 0.724 -2.547 -14.116 1.00 44.14 H new ATOM 0 HZ1 LYS A 61 1.556 -1.748 -16.211 1.00 33.54 H new ATOM 0 HZ2 LYS A 61 2.193 -0.819 -14.940 1.00 33.54 H new ATOM 0 HZ3 LYS A 61 3.161 -1.983 -15.709 1.00 33.54 H new ATOM 728 N ILE A 62 -1.367 -1.013 -11.088 1.00 15.52 N ATOM 729 CA ILE A 62 -2.713 -0.627 -10.739 1.00 12.44 C ATOM 730 C ILE A 62 -3.705 -1.696 -11.255 1.00 41.30 C ATOM 731 O ILE A 62 -3.657 -2.114 -12.412 1.00 55.34 O ATOM 732 CB ILE A 62 -3.034 0.829 -11.286 1.00 71.12 C ATOM 733 CG1 ILE A 62 -4.191 1.525 -10.520 1.00 12.12 C ATOM 734 CG2 ILE A 62 -3.303 0.834 -12.782 1.00 14.25 C ATOM 735 CD1 ILE A 62 -5.560 0.929 -10.687 1.00 60.54 C ATOM 0 H ILE A 62 -0.939 -0.441 -11.816 1.00 15.52 H new ATOM 0 HA ILE A 62 -2.818 -0.578 -9.655 1.00 12.44 H new ATOM 0 HB ILE A 62 -2.131 1.412 -11.103 1.00 71.12 H new ATOM 0 HG12 ILE A 62 -3.946 1.524 -9.458 1.00 12.12 H new ATOM 0 HG13 ILE A 62 -4.232 2.567 -10.837 1.00 12.12 H new ATOM 0 HG21 ILE A 62 -3.518 1.851 -13.110 1.00 14.25 H new ATOM 0 HG22 ILE A 62 -2.426 0.460 -13.311 1.00 14.25 H new ATOM 0 HG23 ILE A 62 -4.158 0.195 -13.000 1.00 14.25 H new ATOM 0 HD11 ILE A 62 -6.280 1.503 -10.104 1.00 60.54 H new ATOM 0 HD12 ILE A 62 -5.842 0.955 -11.740 1.00 60.54 H new ATOM 0 HD13 ILE A 62 -5.552 -0.104 -10.339 1.00 60.54 H new ATOM 747 N GLN A 63 -4.520 -2.188 -10.375 1.00 71.30 N ATOM 748 CA GLN A 63 -5.511 -3.175 -10.707 1.00 70.23 C ATOM 749 C GLN A 63 -6.879 -2.646 -10.337 1.00 52.32 C ATOM 750 O GLN A 63 -7.025 -1.810 -9.411 1.00 24.20 O ATOM 751 CB GLN A 63 -5.289 -4.477 -9.923 1.00 2.32 C ATOM 752 CG GLN A 63 -3.878 -5.000 -9.937 1.00 51.33 C ATOM 753 CD GLN A 63 -3.350 -5.298 -11.314 1.00 43.34 C ATOM 754 OE1 GLN A 63 -4.087 -5.671 -12.225 1.00 31.12 O ATOM 755 NE2 GLN A 63 -2.076 -5.107 -11.476 1.00 31.44 N ATOM 0 H GLN A 63 -4.519 -1.915 -9.392 1.00 71.30 H new ATOM 0 HA GLN A 63 -5.435 -3.379 -11.775 1.00 70.23 H new ATOM 0 HB2 GLN A 63 -5.589 -4.315 -8.888 1.00 2.32 H new ATOM 0 HB3 GLN A 63 -5.948 -5.244 -10.330 1.00 2.32 H new ATOM 0 HG2 GLN A 63 -3.226 -4.269 -9.459 1.00 51.33 H new ATOM 0 HG3 GLN A 63 -3.832 -5.909 -9.337 1.00 51.33 H new ATOM 0 HE21 GLN A 63 -1.503 -4.797 -10.691 1.00 31.44 H new ATOM 0 HE22 GLN A 63 -1.648 -5.267 -12.388 1.00 31.44 H new ATOM 764 N THR A 64 -7.858 -3.119 -11.040 1.00 74.55 N ATOM 765 CA THR A 64 -9.218 -2.790 -10.763 1.00 22.35 C ATOM 766 C THR A 64 -9.757 -3.792 -9.719 1.00 42.51 C ATOM 767 O THR A 64 -9.092 -4.811 -9.425 1.00 31.23 O ATOM 768 CB THR A 64 -10.079 -2.807 -12.081 1.00 24.21 C ATOM 769 OG1 THR A 64 -11.451 -2.467 -11.821 1.00 4.51 O ATOM 770 CG2 THR A 64 -10.018 -4.166 -12.774 1.00 1.21 C ATOM 0 H THR A 64 -7.734 -3.751 -11.831 1.00 74.55 H new ATOM 0 HA THR A 64 -9.283 -1.779 -10.360 1.00 22.35 H new ATOM 0 HB THR A 64 -9.648 -2.054 -12.742 1.00 24.21 H new ATOM 0 HG1 THR A 64 -11.957 -2.485 -12.660 1.00 4.51 H new ATOM 0 HG21 THR A 64 -10.624 -4.140 -13.680 1.00 1.21 H new ATOM 0 HG22 THR A 64 -8.985 -4.395 -13.035 1.00 1.21 H new ATOM 0 HG23 THR A 64 -10.402 -4.934 -12.103 1.00 1.21 H new ATOM 778 N THR A 65 -10.927 -3.512 -9.177 1.00 13.13 N ATOM 779 CA THR A 65 -11.558 -4.341 -8.172 1.00 3.01 C ATOM 780 C THR A 65 -11.772 -5.783 -8.686 1.00 3.04 C ATOM 781 O THR A 65 -11.617 -6.747 -7.933 1.00 1.41 O ATOM 782 CB THR A 65 -12.893 -3.692 -7.673 1.00 3.34 C ATOM 783 OG1 THR A 65 -13.439 -4.426 -6.591 1.00 73.12 O ATOM 784 CG2 THR A 65 -13.930 -3.586 -8.791 1.00 53.41 C ATOM 0 H THR A 65 -11.473 -2.688 -9.428 1.00 13.13 H new ATOM 0 HA THR A 65 -10.887 -4.407 -7.316 1.00 3.01 H new ATOM 0 HB THR A 65 -12.646 -2.684 -7.339 1.00 3.34 H new ATOM 0 HG1 THR A 65 -14.040 -3.849 -6.075 1.00 73.12 H new ATOM 0 HG21 THR A 65 -14.840 -3.130 -8.401 1.00 53.41 H new ATOM 0 HG22 THR A 65 -13.533 -2.970 -9.598 1.00 53.41 H new ATOM 0 HG23 THR A 65 -14.157 -4.582 -9.172 1.00 53.41 H new ATOM 792 N THR A 66 -12.049 -5.912 -9.986 1.00 3.40 N ATOM 793 CA THR A 66 -12.244 -7.196 -10.625 1.00 31.21 C ATOM 794 C THR A 66 -10.958 -8.035 -10.512 1.00 51.33 C ATOM 795 O THR A 66 -10.986 -9.195 -10.098 1.00 4.33 O ATOM 796 CB THR A 66 -12.558 -6.973 -12.109 1.00 62.45 C ATOM 797 OG1 THR A 66 -13.554 -5.941 -12.239 1.00 73.34 O ATOM 798 CG2 THR A 66 -13.060 -8.254 -12.751 1.00 70.30 C ATOM 0 H THR A 66 -12.143 -5.118 -10.620 1.00 3.40 H new ATOM 0 HA THR A 66 -13.066 -7.720 -10.138 1.00 31.21 H new ATOM 0 HB THR A 66 -11.644 -6.668 -12.618 1.00 62.45 H new ATOM 0 HG1 THR A 66 -13.754 -5.797 -13.188 1.00 73.34 H new ATOM 0 HG21 THR A 66 -13.277 -8.073 -13.804 1.00 70.30 H new ATOM 0 HG22 THR A 66 -12.297 -9.027 -12.666 1.00 70.30 H new ATOM 0 HG23 THR A 66 -13.968 -8.583 -12.245 1.00 70.30 H new ATOM 806 N ALA A 67 -9.843 -7.414 -10.873 1.00 71.42 N ATOM 807 CA ALA A 67 -8.531 -8.027 -10.827 1.00 30.02 C ATOM 808 C ALA A 67 -8.185 -8.428 -9.407 1.00 32.53 C ATOM 809 O ALA A 67 -7.787 -9.563 -9.172 1.00 23.31 O ATOM 810 CB ALA A 67 -7.494 -7.072 -11.378 1.00 32.50 C ATOM 0 H ALA A 67 -9.830 -6.452 -11.212 1.00 71.42 H new ATOM 0 HA ALA A 67 -8.540 -8.926 -11.443 1.00 30.02 H new ATOM 0 HB1 ALA A 67 -6.511 -7.541 -11.340 1.00 32.50 H new ATOM 0 HB2 ALA A 67 -7.739 -6.826 -12.411 1.00 32.50 H new ATOM 0 HB3 ALA A 67 -7.485 -6.160 -10.780 1.00 32.50 H new ATOM 816 N PHE A 68 -8.353 -7.490 -8.469 1.00 70.13 N ATOM 817 CA PHE A 68 -8.142 -7.754 -7.041 1.00 34.22 C ATOM 818 C PHE A 68 -8.912 -8.969 -6.614 1.00 50.12 C ATOM 819 O PHE A 68 -8.340 -9.903 -6.062 1.00 54.51 O ATOM 820 CB PHE A 68 -8.579 -6.560 -6.200 1.00 54.33 C ATOM 821 CG PHE A 68 -8.736 -6.852 -4.711 1.00 31.31 C ATOM 822 CD1 PHE A 68 -7.641 -6.925 -3.877 1.00 74.33 C ATOM 823 CD2 PHE A 68 -9.999 -7.070 -4.166 1.00 32.21 C ATOM 824 CE1 PHE A 68 -7.796 -7.212 -2.533 1.00 10.45 C ATOM 825 CE2 PHE A 68 -10.157 -7.353 -2.829 1.00 62.52 C ATOM 826 CZ PHE A 68 -9.052 -7.426 -2.009 1.00 31.55 C ATOM 0 H PHE A 68 -8.637 -6.532 -8.676 1.00 70.13 H new ATOM 0 HA PHE A 68 -7.077 -7.927 -6.887 1.00 34.22 H new ATOM 0 HB2 PHE A 68 -7.850 -5.759 -6.324 1.00 54.33 H new ATOM 0 HB3 PHE A 68 -9.529 -6.189 -6.586 1.00 54.33 H new ATOM 0 HD1 PHE A 68 -6.652 -6.756 -4.277 1.00 74.33 H new ATOM 0 HD2 PHE A 68 -10.869 -7.016 -4.804 1.00 32.21 H new ATOM 0 HE1 PHE A 68 -6.929 -7.269 -1.892 1.00 10.45 H new ATOM 0 HE2 PHE A 68 -11.144 -7.517 -2.423 1.00 62.52 H new ATOM 0 HZ PHE A 68 -9.170 -7.650 -0.959 1.00 31.55 H new ATOM 836 N LEU A 69 -10.212 -8.933 -6.852 1.00 33.31 N ATOM 837 CA LEU A 69 -11.093 -10.059 -6.557 1.00 50.52 C ATOM 838 C LEU A 69 -10.585 -11.352 -7.099 1.00 53.35 C ATOM 839 O LEU A 69 -10.564 -12.344 -6.391 1.00 54.33 O ATOM 840 CB LEU A 69 -12.506 -9.820 -7.028 1.00 50.14 C ATOM 841 CG LEU A 69 -13.407 -9.127 -6.043 1.00 21.32 C ATOM 842 CD1 LEU A 69 -14.742 -8.853 -6.688 1.00 10.42 C ATOM 843 CD2 LEU A 69 -13.576 -10.019 -4.821 1.00 3.31 C ATOM 0 H LEU A 69 -10.689 -8.126 -7.254 1.00 33.31 H new ATOM 0 HA LEU A 69 -11.102 -10.137 -5.470 1.00 50.52 H new ATOM 0 HB2 LEU A 69 -12.471 -9.227 -7.942 1.00 50.14 H new ATOM 0 HB3 LEU A 69 -12.951 -10.780 -7.288 1.00 50.14 H new ATOM 0 HG LEU A 69 -12.970 -8.177 -5.735 1.00 21.32 H new ATOM 0 HD11 LEU A 69 -15.395 -8.351 -5.974 1.00 10.42 H new ATOM 0 HD12 LEU A 69 -14.600 -8.216 -7.561 1.00 10.42 H new ATOM 0 HD13 LEU A 69 -15.197 -9.794 -6.996 1.00 10.42 H new ATOM 0 HD21 LEU A 69 -14.228 -9.527 -4.099 1.00 3.31 H new ATOM 0 HD22 LEU A 69 -14.019 -10.968 -5.122 1.00 3.31 H new ATOM 0 HD23 LEU A 69 -12.602 -10.201 -4.366 1.00 3.31 H new ATOM 855 N GLN A 70 -10.185 -11.340 -8.337 1.00 42.41 N ATOM 856 CA GLN A 70 -9.598 -12.484 -8.966 1.00 20.13 C ATOM 857 C GLN A 70 -8.387 -13.001 -8.187 1.00 23.43 C ATOM 858 O GLN A 70 -8.356 -14.167 -7.812 1.00 22.35 O ATOM 859 CB GLN A 70 -9.239 -12.176 -10.407 1.00 2.51 C ATOM 860 CG GLN A 70 -10.436 -12.074 -11.328 1.00 60.04 C ATOM 861 CD GLN A 70 -10.039 -11.835 -12.760 1.00 64.13 C ATOM 862 OE1 GLN A 70 -9.818 -12.781 -13.520 1.00 52.04 O ATOM 863 NE2 GLN A 70 -9.941 -10.597 -13.146 1.00 33.44 N ATOM 0 H GLN A 70 -10.259 -10.524 -8.945 1.00 42.41 H new ATOM 0 HA GLN A 70 -10.341 -13.282 -8.964 1.00 20.13 H new ATOM 0 HB2 GLN A 70 -8.686 -11.238 -10.441 1.00 2.51 H new ATOM 0 HB3 GLN A 70 -8.572 -12.953 -10.779 1.00 2.51 H new ATOM 0 HG2 GLN A 70 -11.020 -12.992 -11.264 1.00 60.04 H new ATOM 0 HG3 GLN A 70 -11.081 -11.262 -10.992 1.00 60.04 H new ATOM 0 HE21 GLN A 70 -10.132 -9.841 -12.488 1.00 33.44 H new ATOM 0 HE22 GLN A 70 -9.673 -10.382 -14.106 1.00 33.44 H new ATOM 872 N PHE A 71 -7.442 -12.119 -7.868 1.00 42.12 N ATOM 873 CA PHE A 71 -6.229 -12.527 -7.145 1.00 61.03 C ATOM 874 C PHE A 71 -6.582 -13.003 -5.733 1.00 55.34 C ATOM 875 O PHE A 71 -5.994 -13.960 -5.204 1.00 2.25 O ATOM 876 CB PHE A 71 -5.208 -11.388 -7.058 1.00 34.32 C ATOM 877 CG PHE A 71 -4.714 -10.867 -8.376 1.00 11.53 C ATOM 878 CD1 PHE A 71 -4.829 -9.522 -8.682 1.00 33.32 C ATOM 879 CD2 PHE A 71 -4.145 -11.715 -9.309 1.00 70.23 C ATOM 880 CE1 PHE A 71 -4.392 -9.029 -9.892 1.00 55.32 C ATOM 881 CE2 PHE A 71 -3.702 -11.229 -10.521 1.00 12.43 C ATOM 882 CZ PHE A 71 -3.826 -9.884 -10.814 1.00 34.42 C ATOM 0 H PHE A 71 -7.487 -11.125 -8.094 1.00 42.12 H new ATOM 0 HA PHE A 71 -5.780 -13.346 -7.707 1.00 61.03 H new ATOM 0 HB2 PHE A 71 -5.656 -10.563 -6.504 1.00 34.32 H new ATOM 0 HB3 PHE A 71 -4.352 -11.733 -6.479 1.00 34.32 H new ATOM 0 HD1 PHE A 71 -5.268 -8.848 -7.961 1.00 33.32 H new ATOM 0 HD2 PHE A 71 -4.047 -12.767 -9.086 1.00 70.23 H new ATOM 0 HE1 PHE A 71 -4.492 -7.978 -10.117 1.00 55.32 H new ATOM 0 HE2 PHE A 71 -3.258 -11.900 -11.242 1.00 12.43 H new ATOM 0 HZ PHE A 71 -3.480 -9.503 -11.764 1.00 34.42 H new ATOM 892 N PHE A 72 -7.543 -12.336 -5.144 1.00 35.44 N ATOM 893 CA PHE A 72 -8.056 -12.667 -3.843 1.00 20.31 C ATOM 894 C PHE A 72 -8.668 -14.060 -3.831 1.00 64.12 C ATOM 895 O PHE A 72 -8.264 -14.906 -3.033 1.00 13.31 O ATOM 896 CB PHE A 72 -9.076 -11.593 -3.384 1.00 62.22 C ATOM 897 CG PHE A 72 -10.130 -12.101 -2.441 1.00 63.01 C ATOM 898 CD1 PHE A 72 -11.411 -12.342 -2.909 1.00 41.25 C ATOM 899 CD2 PHE A 72 -9.841 -12.375 -1.123 1.00 32.02 C ATOM 900 CE1 PHE A 72 -12.382 -12.848 -2.083 1.00 10.44 C ATOM 901 CE2 PHE A 72 -10.812 -12.877 -0.290 1.00 13.21 C ATOM 902 CZ PHE A 72 -12.084 -13.116 -0.771 1.00 44.43 C ATOM 0 H PHE A 72 -8.000 -11.529 -5.568 1.00 35.44 H new ATOM 0 HA PHE A 72 -7.228 -12.676 -3.134 1.00 20.31 H new ATOM 0 HB2 PHE A 72 -8.535 -10.779 -2.901 1.00 62.22 H new ATOM 0 HB3 PHE A 72 -9.564 -11.174 -4.264 1.00 62.22 H new ATOM 0 HD1 PHE A 72 -11.649 -12.128 -3.940 1.00 41.25 H new ATOM 0 HD2 PHE A 72 -8.847 -12.195 -0.742 1.00 32.02 H new ATOM 0 HE1 PHE A 72 -13.376 -13.034 -2.463 1.00 10.44 H new ATOM 0 HE2 PHE A 72 -10.579 -13.085 0.744 1.00 13.21 H new ATOM 0 HZ PHE A 72 -12.844 -13.514 -0.115 1.00 44.43 H new ATOM 912 N ARG A 73 -9.587 -14.305 -4.742 1.00 64.21 N ATOM 913 CA ARG A 73 -10.328 -15.543 -4.752 1.00 24.34 C ATOM 914 C ARG A 73 -9.467 -16.695 -5.261 1.00 45.35 C ATOM 915 O ARG A 73 -9.781 -17.857 -5.043 1.00 24.40 O ATOM 916 CB ARG A 73 -11.667 -15.385 -5.510 1.00 3.34 C ATOM 917 CG ARG A 73 -11.555 -15.204 -7.008 1.00 13.35 C ATOM 918 CD ARG A 73 -12.888 -14.766 -7.592 1.00 43.15 C ATOM 919 NE ARG A 73 -12.848 -14.688 -9.052 1.00 44.54 N ATOM 920 CZ ARG A 73 -13.493 -13.794 -9.813 1.00 10.02 C ATOM 921 NH1 ARG A 73 -14.196 -12.807 -9.250 1.00 23.15 N ATOM 922 NH2 ARG A 73 -13.426 -13.889 -11.141 1.00 21.24 N ATOM 0 H ARG A 73 -9.838 -13.657 -5.488 1.00 64.21 H new ATOM 0 HA ARG A 73 -10.594 -15.800 -3.727 1.00 24.34 H new ATOM 0 HB2 ARG A 73 -12.281 -16.264 -5.314 1.00 3.34 H new ATOM 0 HB3 ARG A 73 -12.198 -14.527 -5.097 1.00 3.34 H new ATOM 0 HG2 ARG A 73 -10.790 -14.461 -7.234 1.00 13.35 H new ATOM 0 HG3 ARG A 73 -11.238 -16.139 -7.471 1.00 13.35 H new ATOM 0 HD2 ARG A 73 -13.665 -15.467 -7.288 1.00 43.15 H new ATOM 0 HD3 ARG A 73 -13.160 -13.792 -7.184 1.00 43.15 H new ATOM 0 HE ARG A 73 -12.275 -15.379 -9.536 1.00 44.54 H new ATOM 0 HH11 ARG A 73 -14.244 -12.730 -8.234 1.00 23.15 H new ATOM 0 HH12 ARG A 73 -14.684 -12.130 -9.836 1.00 23.15 H new ATOM 0 HH21 ARG A 73 -12.886 -14.639 -11.572 1.00 21.24 H new ATOM 0 HH22 ARG A 73 -13.915 -13.211 -11.726 1.00 21.24 H new ATOM 936 N GLN A 74 -8.372 -16.362 -5.945 1.00 34.12 N ATOM 937 CA GLN A 74 -7.378 -17.351 -6.321 1.00 60.45 C ATOM 938 C GLN A 74 -6.525 -17.762 -5.124 1.00 20.22 C ATOM 939 O GLN A 74 -5.797 -18.759 -5.173 1.00 5.42 O ATOM 940 CB GLN A 74 -6.502 -16.839 -7.426 1.00 2.12 C ATOM 941 CG GLN A 74 -7.188 -16.828 -8.769 1.00 30.44 C ATOM 942 CD GLN A 74 -7.477 -18.220 -9.313 1.00 21.14 C ATOM 943 OE1 GLN A 74 -6.638 -18.813 -9.994 1.00 50.22 O ATOM 944 NE2 GLN A 74 -8.660 -18.734 -9.061 1.00 63.53 N ATOM 0 H GLN A 74 -8.156 -15.412 -6.247 1.00 34.12 H new ATOM 0 HA GLN A 74 -7.913 -18.231 -6.679 1.00 60.45 H new ATOM 0 HB2 GLN A 74 -6.175 -15.828 -7.183 1.00 2.12 H new ATOM 0 HB3 GLN A 74 -5.606 -17.457 -7.487 1.00 2.12 H new ATOM 0 HG2 GLN A 74 -8.125 -16.277 -8.685 1.00 30.44 H new ATOM 0 HG3 GLN A 74 -6.564 -16.290 -9.483 1.00 30.44 H new ATOM 0 HE21 GLN A 74 -9.331 -18.216 -8.493 1.00 63.53 H new ATOM 0 HE22 GLN A 74 -8.907 -19.651 -9.433 1.00 63.53 H new ATOM 953 N GLY A 75 -6.598 -16.984 -4.057 1.00 54.40 N ATOM 954 CA GLY A 75 -5.898 -17.321 -2.858 1.00 60.43 C ATOM 955 C GLY A 75 -4.574 -16.611 -2.712 1.00 33.34 C ATOM 956 O GLY A 75 -3.738 -17.020 -1.916 1.00 52.21 O ATOM 0 H GLY A 75 -7.137 -16.119 -4.010 1.00 54.40 H new ATOM 0 HA2 GLY A 75 -6.526 -17.080 -2.000 1.00 60.43 H new ATOM 0 HA3 GLY A 75 -5.728 -18.397 -2.837 1.00 60.43 H new ATOM 960 N LEU A 76 -4.367 -15.539 -3.448 1.00 51.32 N ATOM 961 CA LEU A 76 -3.089 -14.845 -3.360 1.00 75.34 C ATOM 962 C LEU A 76 -2.985 -13.998 -2.099 1.00 25.30 C ATOM 963 O LEU A 76 -1.986 -14.063 -1.383 1.00 32.32 O ATOM 964 CB LEU A 76 -2.791 -13.995 -4.605 1.00 22.20 C ATOM 965 CG LEU A 76 -2.724 -14.746 -5.944 1.00 44.13 C ATOM 966 CD1 LEU A 76 -2.254 -13.823 -7.049 1.00 51.04 C ATOM 967 CD2 LEU A 76 -1.817 -15.966 -5.851 1.00 75.30 C ATOM 0 H LEU A 76 -5.042 -15.134 -4.097 1.00 51.32 H new ATOM 0 HA LEU A 76 -2.330 -15.626 -3.308 1.00 75.34 H new ATOM 0 HB2 LEU A 76 -3.557 -13.224 -4.684 1.00 22.20 H new ATOM 0 HB3 LEU A 76 -1.840 -13.485 -4.451 1.00 22.20 H new ATOM 0 HG LEU A 76 -3.730 -15.093 -6.181 1.00 44.13 H new ATOM 0 HD11 LEU A 76 -2.213 -14.373 -7.989 1.00 51.04 H new ATOM 0 HD12 LEU A 76 -2.949 -12.989 -7.146 1.00 51.04 H new ATOM 0 HD13 LEU A 76 -1.262 -13.442 -6.808 1.00 51.04 H new ATOM 0 HD21 LEU A 76 -1.792 -16.475 -6.815 1.00 75.30 H new ATOM 0 HD22 LEU A 76 -0.809 -15.650 -5.581 1.00 75.30 H new ATOM 0 HD23 LEU A 76 -2.200 -16.647 -5.091 1.00 75.30 H new ATOM 979 N PHE A 77 -4.036 -13.265 -1.788 1.00 30.44 N ATOM 980 CA PHE A 77 -3.993 -12.336 -0.662 1.00 31.31 C ATOM 981 C PHE A 77 -4.412 -12.967 0.658 1.00 33.13 C ATOM 982 O PHE A 77 -4.254 -12.357 1.683 1.00 75.52 O ATOM 983 CB PHE A 77 -4.855 -11.102 -0.927 1.00 54.02 C ATOM 984 CG PHE A 77 -4.493 -10.355 -2.173 1.00 54.21 C ATOM 985 CD1 PHE A 77 -5.451 -10.097 -3.125 1.00 71.25 C ATOM 986 CD2 PHE A 77 -3.195 -9.923 -2.397 1.00 33.34 C ATOM 987 CE1 PHE A 77 -5.138 -9.420 -4.275 1.00 0.02 C ATOM 988 CE2 PHE A 77 -2.873 -9.244 -3.552 1.00 31.10 C ATOM 989 CZ PHE A 77 -3.850 -8.991 -4.495 1.00 61.53 C ATOM 0 H PHE A 77 -4.924 -13.289 -2.289 1.00 30.44 H new ATOM 0 HA PHE A 77 -2.947 -12.043 -0.569 1.00 31.31 H new ATOM 0 HB2 PHE A 77 -5.899 -11.409 -0.992 1.00 54.02 H new ATOM 0 HB3 PHE A 77 -4.774 -10.426 -0.075 1.00 54.02 H new ATOM 0 HD1 PHE A 77 -6.465 -10.433 -2.964 1.00 71.25 H new ATOM 0 HD2 PHE A 77 -2.430 -10.120 -1.660 1.00 33.34 H new ATOM 0 HE1 PHE A 77 -5.904 -9.223 -5.010 1.00 0.02 H new ATOM 0 HE2 PHE A 77 -1.859 -8.911 -3.719 1.00 31.10 H new ATOM 0 HZ PHE A 77 -3.603 -8.458 -5.402 1.00 61.53 H new ATOM 999 N LYS A 78 -4.872 -14.214 0.633 1.00 32.11 N ATOM 1000 CA LYS A 78 -5.398 -14.870 1.852 1.00 1.13 C ATOM 1001 C LYS A 78 -4.356 -15.080 2.974 1.00 71.34 C ATOM 1002 O LYS A 78 -4.687 -15.467 4.100 1.00 31.41 O ATOM 1003 CB LYS A 78 -6.270 -16.124 1.564 1.00 65.32 C ATOM 1004 CG LYS A 78 -5.657 -17.254 0.722 1.00 43.22 C ATOM 1005 CD LYS A 78 -4.383 -17.834 1.323 1.00 54.45 C ATOM 1006 CE LYS A 78 -3.981 -19.135 0.652 1.00 41.50 C ATOM 1007 NZ LYS A 78 -4.893 -20.235 1.029 1.00 13.52 N ATOM 0 H LYS A 78 -4.897 -14.796 -0.204 1.00 32.11 H new ATOM 0 HA LYS A 78 -6.087 -14.135 2.268 1.00 1.13 H new ATOM 0 HB2 LYS A 78 -6.571 -16.548 2.522 1.00 65.32 H new ATOM 0 HB3 LYS A 78 -7.179 -15.790 1.063 1.00 65.32 H new ATOM 0 HG2 LYS A 78 -6.392 -18.051 0.608 1.00 43.22 H new ATOM 0 HG3 LYS A 78 -5.439 -16.876 -0.277 1.00 43.22 H new ATOM 0 HD2 LYS A 78 -3.574 -17.110 1.226 1.00 54.45 H new ATOM 0 HD3 LYS A 78 -4.530 -18.006 2.389 1.00 54.45 H new ATOM 0 HE2 LYS A 78 -3.990 -19.007 -0.430 1.00 41.50 H new ATOM 0 HE3 LYS A 78 -2.960 -19.393 0.934 1.00 41.50 H new ATOM 0 HZ1 LYS A 78 -4.455 -21.147 0.788 1.00 13.52 H new ATOM 0 HZ2 LYS A 78 -5.077 -20.199 2.052 1.00 13.52 H new ATOM 0 HZ3 LYS A 78 -5.790 -20.135 0.513 1.00 13.52 H new ATOM 1021 N LYS A 79 -3.103 -14.896 2.639 1.00 31.51 N ATOM 1022 CA LYS A 79 -2.042 -15.033 3.605 1.00 10.11 C ATOM 1023 C LYS A 79 -1.903 -13.766 4.459 1.00 14.33 C ATOM 1024 O LYS A 79 -1.193 -13.770 5.478 1.00 30.41 O ATOM 1025 CB LYS A 79 -0.712 -15.373 2.925 1.00 51.34 C ATOM 1026 CG LYS A 79 -0.741 -16.669 2.125 1.00 64.55 C ATOM 1027 CD LYS A 79 0.617 -16.997 1.511 1.00 64.13 C ATOM 1028 CE LYS A 79 1.675 -17.286 2.566 1.00 55.13 C ATOM 1029 NZ LYS A 79 2.972 -17.632 1.960 1.00 12.33 N ATOM 0 H LYS A 79 -2.792 -14.650 1.699 1.00 31.51 H new ATOM 0 HA LYS A 79 -2.305 -15.860 4.265 1.00 10.11 H new ATOM 0 HB2 LYS A 79 -0.435 -14.554 2.261 1.00 51.34 H new ATOM 0 HB3 LYS A 79 0.066 -15.444 3.685 1.00 51.34 H new ATOM 0 HG2 LYS A 79 -1.052 -17.488 2.774 1.00 64.55 H new ATOM 0 HG3 LYS A 79 -1.486 -16.589 1.333 1.00 64.55 H new ATOM 0 HD2 LYS A 79 0.517 -17.861 0.854 1.00 64.13 H new ATOM 0 HD3 LYS A 79 0.944 -16.162 0.891 1.00 64.13 H new ATOM 0 HE2 LYS A 79 1.795 -16.414 3.209 1.00 55.13 H new ATOM 0 HE3 LYS A 79 1.340 -18.106 3.201 1.00 55.13 H new ATOM 0 HZ1 LYS A 79 3.666 -17.822 2.711 1.00 12.33 H new ATOM 0 HZ2 LYS A 79 2.863 -18.479 1.367 1.00 12.33 H new ATOM 0 HZ3 LYS A 79 3.304 -16.839 1.374 1.00 12.33 H new ATOM 1043 N LEU A 80 -2.590 -12.695 4.055 1.00 62.43 N ATOM 1044 CA LEU A 80 -2.504 -11.415 4.719 1.00 32.53 C ATOM 1045 C LEU A 80 -3.273 -11.404 6.026 1.00 74.30 C ATOM 1046 O LEU A 80 -3.071 -10.526 6.856 1.00 53.20 O ATOM 1047 CB LEU A 80 -2.983 -10.307 3.795 1.00 54.30 C ATOM 1048 CG LEU A 80 -2.156 -10.084 2.522 1.00 12.50 C ATOM 1049 CD1 LEU A 80 -2.778 -8.991 1.681 1.00 63.02 C ATOM 1050 CD2 LEU A 80 -0.710 -9.733 2.864 1.00 12.05 C ATOM 0 H LEU A 80 -3.221 -12.703 3.254 1.00 62.43 H new ATOM 0 HA LEU A 80 -1.457 -11.237 4.963 1.00 32.53 H new ATOM 0 HB2 LEU A 80 -4.010 -10.524 3.503 1.00 54.30 H new ATOM 0 HB3 LEU A 80 -3.002 -9.375 4.359 1.00 54.30 H new ATOM 0 HG LEU A 80 -2.153 -11.012 1.950 1.00 12.50 H new ATOM 0 HD11 LEU A 80 -2.183 -8.842 0.780 1.00 63.02 H new ATOM 0 HD12 LEU A 80 -3.792 -9.279 1.402 1.00 63.02 H new ATOM 0 HD13 LEU A 80 -2.809 -8.064 2.254 1.00 63.02 H new ATOM 0 HD21 LEU A 80 -0.145 -9.580 1.944 1.00 12.05 H new ATOM 0 HD22 LEU A 80 -0.688 -8.820 3.459 1.00 12.05 H new ATOM 0 HD23 LEU A 80 -0.263 -10.548 3.433 1.00 12.05 H new ATOM 1062 N LYS A 81 -4.131 -12.384 6.204 1.00 12.30 N ATOM 1063 CA LYS A 81 -4.865 -12.585 7.452 1.00 42.12 C ATOM 1064 C LYS A 81 -3.919 -12.653 8.670 1.00 72.34 C ATOM 1065 O LYS A 81 -4.272 -12.245 9.777 1.00 3.35 O ATOM 1066 CB LYS A 81 -5.761 -13.853 7.316 1.00 2.53 C ATOM 1067 CG LYS A 81 -6.369 -14.415 8.611 1.00 60.40 C ATOM 1068 CD LYS A 81 -5.431 -15.427 9.243 1.00 54.23 C ATOM 1069 CE LYS A 81 -5.879 -15.875 10.615 1.00 21.41 C ATOM 1070 NZ LYS A 81 -4.974 -16.918 11.149 1.00 61.44 N ATOM 0 H LYS A 81 -4.347 -13.075 5.485 1.00 12.30 H new ATOM 0 HA LYS A 81 -5.510 -11.725 7.634 1.00 42.12 H new ATOM 0 HB2 LYS A 81 -6.576 -13.621 6.631 1.00 2.53 H new ATOM 0 HB3 LYS A 81 -5.168 -14.640 6.850 1.00 2.53 H new ATOM 0 HG2 LYS A 81 -6.562 -13.603 9.311 1.00 60.40 H new ATOM 0 HG3 LYS A 81 -7.329 -14.885 8.395 1.00 60.40 H new ATOM 0 HD2 LYS A 81 -5.352 -16.297 8.591 1.00 54.23 H new ATOM 0 HD3 LYS A 81 -4.434 -14.993 9.317 1.00 54.23 H new ATOM 0 HE2 LYS A 81 -5.898 -15.022 11.293 1.00 21.41 H new ATOM 0 HE3 LYS A 81 -6.896 -16.262 10.562 1.00 21.41 H new ATOM 0 HZ1 LYS A 81 -5.270 -17.175 12.112 1.00 61.44 H new ATOM 0 HZ2 LYS A 81 -5.015 -17.759 10.538 1.00 61.44 H new ATOM 0 HZ3 LYS A 81 -4.000 -16.554 11.172 1.00 61.44 H new ATOM 1084 N ASP A 82 -2.712 -13.137 8.456 1.00 72.25 N ATOM 1085 CA ASP A 82 -1.753 -13.269 9.553 1.00 5.44 C ATOM 1086 C ASP A 82 -0.764 -12.127 9.572 1.00 54.41 C ATOM 1087 O ASP A 82 0.206 -12.154 10.342 1.00 25.41 O ATOM 1088 CB ASP A 82 -0.968 -14.585 9.488 1.00 53.41 C ATOM 1089 CG ASP A 82 -1.815 -15.813 9.646 1.00 12.41 C ATOM 1090 OD1 ASP A 82 -1.783 -16.675 8.748 1.00 33.14 O ATOM 1091 OD2 ASP A 82 -2.522 -15.949 10.670 1.00 52.50 O ATOM 0 H ASP A 82 -2.367 -13.444 7.547 1.00 72.25 H new ATOM 0 HA ASP A 82 -2.350 -13.255 10.465 1.00 5.44 H new ATOM 0 HB2 ASP A 82 -0.446 -14.637 8.532 1.00 53.41 H new ATOM 0 HB3 ASP A 82 -0.206 -14.580 10.267 1.00 53.41 H new ATOM 1096 N ALA A 83 -0.994 -11.125 8.756 1.00 14.31 N ATOM 1097 CA ALA A 83 -0.071 -10.014 8.645 1.00 5.21 C ATOM 1098 C ALA A 83 -0.101 -9.133 9.884 1.00 50.32 C ATOM 1099 O ALA A 83 -1.135 -8.985 10.550 1.00 12.35 O ATOM 1100 CB ALA A 83 -0.327 -9.211 7.389 1.00 11.32 C ATOM 0 H ALA A 83 -1.816 -11.054 8.156 1.00 14.31 H new ATOM 0 HA ALA A 83 0.933 -10.431 8.571 1.00 5.21 H new ATOM 0 HB1 ALA A 83 0.382 -8.385 7.335 1.00 11.32 H new ATOM 0 HB2 ALA A 83 -0.204 -9.852 6.516 1.00 11.32 H new ATOM 0 HB3 ALA A 83 -1.343 -8.817 7.410 1.00 11.32 H new ATOM 1106 N GLU A 84 1.028 -8.570 10.191 1.00 0.44 N ATOM 1107 CA GLU A 84 1.205 -7.772 11.357 1.00 22.44 C ATOM 1108 C GLU A 84 0.861 -6.319 11.113 1.00 60.41 C ATOM 1109 O GLU A 84 1.484 -5.634 10.269 1.00 14.12 O ATOM 1110 CB GLU A 84 2.638 -7.883 11.869 1.00 45.12 C ATOM 1111 CG GLU A 84 3.030 -9.286 12.274 1.00 21.32 C ATOM 1112 CD GLU A 84 4.437 -9.368 12.807 1.00 71.12 C ATOM 1113 OE1 GLU A 84 4.679 -8.913 13.954 1.00 45.33 O ATOM 1114 OE2 GLU A 84 5.317 -9.902 12.111 1.00 53.05 O ATOM 0 H GLU A 84 1.870 -8.657 9.621 1.00 0.44 H new ATOM 0 HA GLU A 84 0.517 -8.155 12.111 1.00 22.44 H new ATOM 0 HB2 GLU A 84 3.320 -7.534 11.094 1.00 45.12 H new ATOM 0 HB3 GLU A 84 2.762 -7.219 12.725 1.00 45.12 H new ATOM 0 HG2 GLU A 84 2.337 -9.647 13.034 1.00 21.32 H new ATOM 0 HG3 GLU A 84 2.933 -9.948 11.414 1.00 21.32 H new ATOM 1121 N PHE A 85 -0.149 -5.866 11.799 1.00 61.14 N ATOM 1122 CA PHE A 85 -0.466 -4.468 11.844 1.00 5.41 C ATOM 1123 C PHE A 85 0.031 -3.966 13.177 1.00 5.32 C ATOM 1124 O PHE A 85 0.220 -4.766 14.100 1.00 72.53 O ATOM 1125 CB PHE A 85 -1.981 -4.185 11.672 1.00 24.14 C ATOM 1126 CG PHE A 85 -2.885 -4.759 12.737 1.00 40.14 C ATOM 1127 CD1 PHE A 85 -3.392 -6.041 12.618 1.00 22.30 C ATOM 1128 CD2 PHE A 85 -3.239 -4.006 13.851 1.00 74.11 C ATOM 1129 CE1 PHE A 85 -4.226 -6.562 13.582 1.00 40.13 C ATOM 1130 CE2 PHE A 85 -4.071 -4.524 14.819 1.00 44.24 C ATOM 1131 CZ PHE A 85 -4.565 -5.802 14.686 1.00 74.20 C ATOM 0 H PHE A 85 -0.777 -6.457 12.344 1.00 61.14 H new ATOM 0 HA PHE A 85 0.013 -3.952 11.012 1.00 5.41 H new ATOM 0 HB2 PHE A 85 -2.128 -3.105 11.642 1.00 24.14 H new ATOM 0 HB3 PHE A 85 -2.297 -4.577 10.705 1.00 24.14 H new ATOM 0 HD1 PHE A 85 -3.130 -6.640 11.759 1.00 22.30 H new ATOM 0 HD2 PHE A 85 -2.857 -3.002 13.959 1.00 74.11 H new ATOM 0 HE1 PHE A 85 -4.615 -7.564 13.476 1.00 40.13 H new ATOM 0 HE2 PHE A 85 -4.335 -3.929 15.681 1.00 44.24 H new ATOM 0 HZ PHE A 85 -5.217 -6.211 15.444 1.00 74.20 H new ATOM 1300 N GLU A 97 -6.235 14.445 4.811 1.00 64.42 N ATOM 1301 CA GLU A 97 -5.339 13.643 5.644 1.00 51.12 C ATOM 1302 C GLU A 97 -5.398 12.186 5.208 1.00 35.15 C ATOM 1303 O GLU A 97 -6.473 11.675 4.881 1.00 43.45 O ATOM 1304 CB GLU A 97 -5.658 13.792 7.142 1.00 34.12 C ATOM 1305 CG GLU A 97 -7.093 13.528 7.524 1.00 2.44 C ATOM 1306 CD GLU A 97 -7.335 13.649 9.006 1.00 12.22 C ATOM 1307 OE1 GLU A 97 -7.342 14.778 9.523 1.00 13.24 O ATOM 1308 OE2 GLU A 97 -7.565 12.615 9.674 1.00 20.34 O ATOM 0 HA GLU A 97 -4.323 14.012 5.505 1.00 51.12 H new ATOM 0 HB2 GLU A 97 -5.019 13.110 7.703 1.00 34.12 H new ATOM 0 HB3 GLU A 97 -5.396 14.803 7.454 1.00 34.12 H new ATOM 0 HG2 GLU A 97 -7.739 14.230 6.997 1.00 2.44 H new ATOM 0 HG3 GLU A 97 -7.373 12.527 7.195 1.00 2.44 H new ATOM 1315 N GLY A 98 -4.267 11.530 5.193 1.00 25.32 N ATOM 1316 CA GLY A 98 -4.227 10.201 4.671 1.00 72.12 C ATOM 1317 C GLY A 98 -3.801 9.191 5.682 1.00 54.13 C ATOM 1318 O GLY A 98 -2.882 9.439 6.470 1.00 73.42 O ATOM 0 H GLY A 98 -3.376 11.893 5.532 1.00 25.32 H new ATOM 0 HA2 GLY A 98 -5.214 9.935 4.293 1.00 72.12 H new ATOM 0 HA3 GLY A 98 -3.542 10.170 3.823 1.00 72.12 H new ATOM 1322 N TYR A 99 -4.461 8.061 5.671 1.00 24.22 N ATOM 1323 CA TYR A 99 -4.138 6.982 6.558 1.00 0.04 C ATOM 1324 C TYR A 99 -3.499 5.882 5.751 1.00 62.41 C ATOM 1325 O TYR A 99 -4.031 5.491 4.695 1.00 53.45 O ATOM 1326 CB TYR A 99 -5.386 6.416 7.243 1.00 70.41 C ATOM 1327 CG TYR A 99 -6.285 7.435 7.896 1.00 42.51 C ATOM 1328 CD1 TYR A 99 -7.613 7.521 7.529 1.00 40.20 C ATOM 1329 CD2 TYR A 99 -5.811 8.308 8.865 1.00 30.04 C ATOM 1330 CE1 TYR A 99 -8.455 8.433 8.096 1.00 21.12 C ATOM 1331 CE2 TYR A 99 -6.649 9.235 9.447 1.00 60.34 C ATOM 1332 CZ TYR A 99 -7.971 9.295 9.060 1.00 62.32 C ATOM 1333 OH TYR A 99 -8.811 10.216 9.638 1.00 43.24 O ATOM 0 H TYR A 99 -5.240 7.866 5.042 1.00 24.22 H new ATOM 0 HA TYR A 99 -3.467 7.360 7.329 1.00 0.04 H new ATOM 0 HB2 TYR A 99 -5.967 5.865 6.503 1.00 70.41 H new ATOM 0 HB3 TYR A 99 -5.070 5.698 8.000 1.00 70.41 H new ATOM 0 HD1 TYR A 99 -7.995 6.850 6.774 1.00 40.20 H new ATOM 0 HD2 TYR A 99 -4.775 8.261 9.166 1.00 30.04 H new ATOM 0 HE1 TYR A 99 -9.491 8.480 7.793 1.00 21.12 H new ATOM 0 HE2 TYR A 99 -6.272 9.910 10.201 1.00 60.34 H new ATOM 0 HH TYR A 99 -8.391 11.101 9.615 1.00 43.24 H new ATOM 1343 N LYS A 100 -2.374 5.418 6.218 1.00 72.44 N ATOM 1344 CA LYS A 100 -1.654 4.329 5.605 1.00 14.44 C ATOM 1345 C LYS A 100 -1.793 3.111 6.503 1.00 12.13 C ATOM 1346 O LYS A 100 -1.134 3.016 7.540 1.00 31.40 O ATOM 1347 CB LYS A 100 -0.157 4.694 5.450 1.00 71.30 C ATOM 1348 CG LYS A 100 0.124 5.859 4.502 1.00 1.23 C ATOM 1349 CD LYS A 100 1.549 6.421 4.671 1.00 41.42 C ATOM 1350 CE LYS A 100 2.674 5.418 4.348 1.00 12.11 C ATOM 1351 NZ LYS A 100 2.707 5.013 2.920 1.00 1.20 N ATOM 0 H LYS A 100 -1.920 5.791 7.052 1.00 72.44 H new ATOM 0 HA LYS A 100 -2.061 4.124 4.615 1.00 14.44 H new ATOM 0 HB2 LYS A 100 0.247 4.938 6.433 1.00 71.30 H new ATOM 0 HB3 LYS A 100 0.382 3.816 5.094 1.00 71.30 H new ATOM 0 HG2 LYS A 100 -0.014 5.528 3.473 1.00 1.23 H new ATOM 0 HG3 LYS A 100 -0.601 6.653 4.681 1.00 1.23 H new ATOM 0 HD2 LYS A 100 1.661 7.293 4.027 1.00 41.42 H new ATOM 0 HD3 LYS A 100 1.671 6.766 5.698 1.00 41.42 H new ATOM 0 HE2 LYS A 100 3.634 5.860 4.615 1.00 12.11 H new ATOM 0 HE3 LYS A 100 2.549 4.530 4.968 1.00 12.11 H new ATOM 0 HZ1 LYS A 100 3.463 4.313 2.775 1.00 1.20 H new ATOM 0 HZ2 LYS A 100 1.792 4.594 2.657 1.00 1.20 H new ATOM 0 HZ3 LYS A 100 2.889 5.847 2.327 1.00 1.20 H new ATOM 1365 N LEU A 101 -2.693 2.239 6.168 1.00 5.53 N ATOM 1366 CA LEU A 101 -2.891 1.030 6.936 1.00 53.55 C ATOM 1367 C LEU A 101 -2.050 -0.046 6.323 1.00 71.32 C ATOM 1368 O LEU A 101 -2.410 -0.589 5.296 1.00 11.41 O ATOM 1369 CB LEU A 101 -4.378 0.577 6.963 1.00 23.10 C ATOM 1370 CG LEU A 101 -5.403 1.438 7.733 1.00 61.24 C ATOM 1371 CD1 LEU A 101 -4.987 1.635 9.177 1.00 11.15 C ATOM 1372 CD2 LEU A 101 -5.670 2.770 7.045 1.00 34.11 C ATOM 0 H LEU A 101 -3.311 2.336 5.362 1.00 5.53 H new ATOM 0 HA LEU A 101 -2.603 1.225 7.969 1.00 53.55 H new ATOM 0 HB2 LEU A 101 -4.719 0.502 5.930 1.00 23.10 H new ATOM 0 HB3 LEU A 101 -4.409 -0.428 7.383 1.00 23.10 H new ATOM 0 HG LEU A 101 -6.343 0.887 7.730 1.00 61.24 H new ATOM 0 HD11 LEU A 101 -5.730 2.245 9.690 1.00 11.15 H new ATOM 0 HD12 LEU A 101 -4.911 0.665 9.669 1.00 11.15 H new ATOM 0 HD13 LEU A 101 -4.020 2.136 9.212 1.00 11.15 H new ATOM 0 HD21 LEU A 101 -6.397 3.339 7.624 1.00 34.11 H new ATOM 0 HD22 LEU A 101 -4.741 3.335 6.973 1.00 34.11 H new ATOM 0 HD23 LEU A 101 -6.064 2.590 6.045 1.00 34.11 H new ATOM 1384 N VAL A 102 -0.925 -0.324 6.906 1.00 34.45 N ATOM 1385 CA VAL A 102 -0.040 -1.284 6.320 1.00 25.22 C ATOM 1386 C VAL A 102 0.187 -2.519 7.188 1.00 63.33 C ATOM 1387 O VAL A 102 0.615 -2.445 8.357 1.00 42.14 O ATOM 1388 CB VAL A 102 1.284 -0.644 5.825 1.00 52.41 C ATOM 1389 CG1 VAL A 102 2.036 0.053 6.945 1.00 23.01 C ATOM 1390 CG2 VAL A 102 2.167 -1.657 5.095 1.00 75.11 C ATOM 0 H VAL A 102 -0.600 0.094 7.777 1.00 34.45 H new ATOM 0 HA VAL A 102 -0.556 -1.653 5.434 1.00 25.22 H new ATOM 0 HB VAL A 102 1.010 0.125 5.102 1.00 52.41 H new ATOM 0 HG11 VAL A 102 2.956 0.486 6.551 1.00 23.01 H new ATOM 0 HG12 VAL A 102 1.414 0.843 7.364 1.00 23.01 H new ATOM 0 HG13 VAL A 102 2.279 -0.669 7.724 1.00 23.01 H new ATOM 0 HG21 VAL A 102 3.084 -1.169 4.765 1.00 75.11 H new ATOM 0 HG22 VAL A 102 2.415 -2.476 5.770 1.00 75.11 H new ATOM 0 HG23 VAL A 102 1.632 -2.049 4.230 1.00 75.11 H new ATOM 1400 N TRP A 103 -0.130 -3.631 6.609 1.00 73.11 N ATOM 1401 CA TRP A 103 0.042 -4.924 7.194 1.00 41.01 C ATOM 1402 C TRP A 103 1.259 -5.555 6.570 1.00 51.32 C ATOM 1403 O TRP A 103 1.411 -5.544 5.349 1.00 40.51 O ATOM 1404 CB TRP A 103 -1.172 -5.804 6.915 1.00 31.51 C ATOM 1405 CG TRP A 103 -2.447 -5.317 7.517 1.00 61.41 C ATOM 1406 CD1 TRP A 103 -2.950 -5.658 8.734 1.00 62.15 C ATOM 1407 CD2 TRP A 103 -3.399 -4.421 6.926 1.00 22.43 C ATOM 1408 NE1 TRP A 103 -4.143 -5.012 8.950 1.00 22.21 N ATOM 1409 CE2 TRP A 103 -4.442 -4.259 7.853 1.00 72.43 C ATOM 1410 CE3 TRP A 103 -3.473 -3.736 5.702 1.00 10.42 C ATOM 1411 CZ2 TRP A 103 -5.534 -3.453 7.603 1.00 21.52 C ATOM 1412 CZ3 TRP A 103 -4.561 -2.940 5.464 1.00 52.33 C ATOM 1413 CH2 TRP A 103 -5.575 -2.808 6.408 1.00 21.42 C ATOM 0 H TRP A 103 -0.534 -3.666 5.673 1.00 73.11 H new ATOM 0 HA TRP A 103 0.158 -4.826 8.273 1.00 41.01 H new ATOM 0 HB2 TRP A 103 -1.304 -5.886 5.836 1.00 31.51 H new ATOM 0 HB3 TRP A 103 -0.970 -6.808 7.289 1.00 31.51 H new ATOM 0 HD1 TRP A 103 -2.480 -6.338 9.429 1.00 62.15 H new ATOM 0 HE1 TRP A 103 -4.712 -5.084 9.793 1.00 22.21 H new ATOM 0 HE3 TRP A 103 -2.689 -3.835 4.965 1.00 10.42 H new ATOM 0 HZ2 TRP A 103 -6.325 -3.339 8.329 1.00 21.52 H new ATOM 0 HZ3 TRP A 103 -4.634 -2.406 4.528 1.00 52.33 H new ATOM 0 HH2 TRP A 103 -6.420 -2.174 6.184 1.00 21.42 H new ATOM 1424 N LYS A 104 2.135 -6.049 7.384 1.00 13.54 N ATOM 1425 CA LYS A 104 3.342 -6.680 6.912 1.00 63.14 C ATOM 1426 C LYS A 104 3.283 -8.136 7.281 1.00 40.04 C ATOM 1427 O LYS A 104 3.058 -8.453 8.438 1.00 60.10 O ATOM 1428 CB LYS A 104 4.596 -6.025 7.543 1.00 52.33 C ATOM 1429 CG LYS A 104 4.863 -4.557 7.150 1.00 65.21 C ATOM 1430 CD LYS A 104 3.866 -3.539 7.730 1.00 21.32 C ATOM 1431 CE LYS A 104 3.901 -3.465 9.248 1.00 64.33 C ATOM 1432 NZ LYS A 104 3.031 -2.372 9.761 1.00 35.21 N ATOM 0 H LYS A 104 2.041 -6.030 8.399 1.00 13.54 H new ATOM 0 HA LYS A 104 3.416 -6.561 5.831 1.00 63.14 H new ATOM 0 HB2 LYS A 104 4.503 -6.079 8.628 1.00 52.33 H new ATOM 0 HB3 LYS A 104 5.468 -6.618 7.269 1.00 52.33 H new ATOM 0 HG2 LYS A 104 5.867 -4.286 7.476 1.00 65.21 H new ATOM 0 HG3 LYS A 104 4.848 -4.479 6.063 1.00 65.21 H new ATOM 0 HD2 LYS A 104 4.083 -2.553 7.319 1.00 21.32 H new ATOM 0 HD3 LYS A 104 2.859 -3.803 7.409 1.00 21.32 H new ATOM 0 HE2 LYS A 104 3.576 -4.417 9.667 1.00 64.33 H new ATOM 0 HE3 LYS A 104 4.926 -3.303 9.582 1.00 64.33 H new ATOM 0 HZ1 LYS A 104 2.998 -2.413 10.800 1.00 35.21 H new ATOM 0 HZ2 LYS A 104 3.416 -1.453 9.463 1.00 35.21 H new ATOM 0 HZ3 LYS A 104 2.070 -2.485 9.379 1.00 35.21 H new ATOM 1446 N SER A 105 3.442 -9.020 6.330 1.00 21.55 N ATOM 1447 CA SER A 105 3.375 -10.435 6.631 1.00 34.34 C ATOM 1448 C SER A 105 4.699 -10.921 7.253 1.00 15.54 C ATOM 1449 O SER A 105 5.620 -10.109 7.476 1.00 63.44 O ATOM 1450 CB SER A 105 2.996 -11.234 5.370 1.00 32.21 C ATOM 1451 OG SER A 105 3.925 -11.020 4.319 1.00 52.25 O ATOM 0 H SER A 105 3.617 -8.794 5.351 1.00 21.55 H new ATOM 0 HA SER A 105 2.593 -10.605 7.371 1.00 34.34 H new ATOM 0 HB2 SER A 105 2.955 -12.296 5.610 1.00 32.21 H new ATOM 0 HB3 SER A 105 1.999 -10.943 5.040 1.00 32.21 H new ATOM 0 HG SER A 105 3.703 -11.603 3.563 1.00 52.25 H new ATOM 1640 N TRP A 117 9.082 -10.165 2.697 1.00 33.54 N ATOM 1641 CA TRP A 117 7.786 -10.190 3.316 1.00 61.02 C ATOM 1642 C TRP A 117 6.809 -9.600 2.313 1.00 74.20 C ATOM 1643 O TRP A 117 7.222 -9.182 1.245 1.00 3.42 O ATOM 1644 CB TRP A 117 7.800 -9.391 4.642 1.00 41.33 C ATOM 1645 CG TRP A 117 8.362 -7.999 4.515 1.00 64.42 C ATOM 1646 CD1 TRP A 117 7.754 -6.930 3.957 1.00 24.12 C ATOM 1647 CD2 TRP A 117 9.640 -7.537 4.975 1.00 12.31 C ATOM 1648 NE1 TRP A 117 8.570 -5.831 4.008 1.00 52.04 N ATOM 1649 CE2 TRP A 117 9.735 -6.174 4.635 1.00 41.41 C ATOM 1650 CE3 TRP A 117 10.713 -8.141 5.634 1.00 1.01 C ATOM 1651 CZ2 TRP A 117 10.857 -5.411 4.929 1.00 33.13 C ATOM 1652 CZ3 TRP A 117 11.824 -7.379 5.928 1.00 21.30 C ATOM 1653 CH2 TRP A 117 11.888 -6.029 5.576 1.00 45.11 C ATOM 0 HA TRP A 117 7.490 -11.207 3.575 1.00 61.02 H new ATOM 0 HB2 TRP A 117 6.782 -9.327 5.026 1.00 41.33 H new ATOM 0 HB3 TRP A 117 8.384 -9.941 5.379 1.00 41.33 H new ATOM 0 HD1 TRP A 117 6.762 -6.940 3.530 1.00 24.12 H new ATOM 0 HE1 TRP A 117 8.345 -4.907 3.638 1.00 52.04 H new ATOM 0 HE3 TRP A 117 10.673 -9.185 5.908 1.00 1.01 H new ATOM 0 HZ2 TRP A 117 10.912 -4.368 4.656 1.00 33.13 H new ATOM 0 HZ3 TRP A 117 12.659 -7.834 6.439 1.00 21.30 H new ATOM 0 HH2 TRP A 117 12.773 -5.461 5.821 1.00 45.11 H new ATOM 1664 N ASP A 118 5.557 -9.612 2.589 1.00 4.25 N ATOM 1665 CA ASP A 118 4.602 -9.009 1.682 1.00 42.13 C ATOM 1666 C ASP A 118 3.981 -7.885 2.429 1.00 55.11 C ATOM 1667 O ASP A 118 3.706 -8.016 3.635 1.00 4.41 O ATOM 1668 CB ASP A 118 3.494 -9.990 1.258 1.00 5.32 C ATOM 1669 CG ASP A 118 4.020 -11.376 0.943 1.00 60.21 C ATOM 1670 OD1 ASP A 118 4.023 -12.236 1.852 1.00 54.44 O ATOM 1671 OD2 ASP A 118 4.480 -11.636 -0.201 1.00 3.11 O ATOM 0 H ASP A 118 5.153 -10.027 3.428 1.00 4.25 H new ATOM 0 HA ASP A 118 5.112 -8.692 0.772 1.00 42.13 H new ATOM 0 HB2 ASP A 118 2.754 -10.061 2.055 1.00 5.32 H new ATOM 0 HB3 ASP A 118 2.981 -9.594 0.381 1.00 5.32 H new ATOM 1676 N GLU A 119 3.786 -6.793 1.785 1.00 34.54 N ATOM 1677 CA GLU A 119 3.185 -5.664 2.453 1.00 43.41 C ATOM 1678 C GLU A 119 1.879 -5.305 1.826 1.00 32.30 C ATOM 1679 O GLU A 119 1.712 -5.389 0.610 1.00 31.53 O ATOM 1680 CB GLU A 119 4.106 -4.440 2.517 1.00 2.51 C ATOM 1681 CG GLU A 119 5.373 -4.673 3.295 1.00 54.12 C ATOM 1682 CD GLU A 119 6.202 -3.429 3.479 1.00 63.40 C ATOM 1683 OE1 GLU A 119 7.336 -3.363 2.961 1.00 63.11 O ATOM 1684 OE2 GLU A 119 5.749 -2.488 4.143 1.00 75.31 O ATOM 0 H GLU A 119 4.026 -6.642 0.805 1.00 34.54 H new ATOM 0 HA GLU A 119 3.011 -5.978 3.482 1.00 43.41 H new ATOM 0 HB2 GLU A 119 4.364 -4.138 1.502 1.00 2.51 H new ATOM 0 HB3 GLU A 119 3.561 -3.610 2.968 1.00 2.51 H new ATOM 0 HG2 GLU A 119 5.119 -5.079 4.274 1.00 54.12 H new ATOM 0 HG3 GLU A 119 5.971 -5.426 2.783 1.00 54.12 H new ATOM 1691 N ALA A 120 0.957 -4.953 2.641 1.00 33.33 N ATOM 1692 CA ALA A 120 -0.327 -4.528 2.192 1.00 54.51 C ATOM 1693 C ALA A 120 -0.619 -3.204 2.827 1.00 35.23 C ATOM 1694 O ALA A 120 -0.712 -3.117 4.031 1.00 51.13 O ATOM 1695 CB ALA A 120 -1.367 -5.550 2.591 1.00 2.44 C ATOM 0 H ALA A 120 1.068 -4.950 3.655 1.00 33.33 H new ATOM 0 HA ALA A 120 -0.346 -4.431 1.107 1.00 54.51 H new ATOM 0 HB1 ALA A 120 -2.348 -5.224 2.247 1.00 2.44 H new ATOM 0 HB2 ALA A 120 -1.125 -6.511 2.138 1.00 2.44 H new ATOM 0 HB3 ALA A 120 -1.379 -5.653 3.676 1.00 2.44 H new ATOM 1701 N GLU A 121 -0.753 -2.191 2.035 1.00 33.24 N ATOM 1702 CA GLU A 121 -0.973 -0.869 2.543 1.00 30.43 C ATOM 1703 C GLU A 121 -2.214 -0.258 1.934 1.00 51.14 C ATOM 1704 O GLU A 121 -2.291 -0.047 0.731 1.00 53.15 O ATOM 1705 CB GLU A 121 0.265 0.006 2.307 1.00 13.50 C ATOM 1706 CG GLU A 121 0.161 1.409 2.877 1.00 74.11 C ATOM 1707 CD GLU A 121 1.462 2.160 2.792 1.00 22.44 C ATOM 1708 OE1 GLU A 121 2.187 2.234 3.786 1.00 32.02 O ATOM 1709 OE2 GLU A 121 1.782 2.717 1.725 1.00 75.12 O ATOM 0 H GLU A 121 -0.714 -2.252 1.018 1.00 33.24 H new ATOM 0 HA GLU A 121 -1.137 -0.931 3.619 1.00 30.43 H new ATOM 0 HB2 GLU A 121 1.132 -0.488 2.746 1.00 13.50 H new ATOM 0 HB3 GLU A 121 0.446 0.076 1.234 1.00 13.50 H new ATOM 0 HG2 GLU A 121 -0.610 1.961 2.339 1.00 74.11 H new ATOM 0 HG3 GLU A 121 -0.156 1.353 3.918 1.00 74.11 H new ATOM 1716 N ALA A 122 -3.187 -0.020 2.758 1.00 55.22 N ATOM 1717 CA ALA A 122 -4.412 0.585 2.342 1.00 44.25 C ATOM 1718 C ALA A 122 -4.354 2.075 2.604 1.00 45.20 C ATOM 1719 O ALA A 122 -3.920 2.510 3.675 1.00 42.10 O ATOM 1720 CB ALA A 122 -5.594 -0.061 3.036 1.00 55.14 C ATOM 0 H ALA A 122 -3.151 -0.244 3.752 1.00 55.22 H new ATOM 0 HA ALA A 122 -4.547 0.429 1.272 1.00 44.25 H new ATOM 0 HB1 ALA A 122 -6.516 0.416 2.704 1.00 55.14 H new ATOM 0 HB2 ALA A 122 -5.625 -1.122 2.790 1.00 55.14 H new ATOM 0 HB3 ALA A 122 -5.492 0.058 4.115 1.00 55.14 H new ATOM 1726 N TYR A 123 -4.768 2.836 1.633 1.00 61.22 N ATOM 1727 CA TYR A 123 -4.705 4.274 1.671 1.00 12.23 C ATOM 1728 C TYR A 123 -6.090 4.828 1.758 1.00 11.21 C ATOM 1729 O TYR A 123 -6.901 4.610 0.856 1.00 32.42 O ATOM 1730 CB TYR A 123 -4.090 4.801 0.380 1.00 11.21 C ATOM 1731 CG TYR A 123 -2.753 4.233 0.050 1.00 62.23 C ATOM 1732 CD1 TYR A 123 -2.624 3.070 -0.726 1.00 52.22 C ATOM 1733 CD2 TYR A 123 -1.609 4.851 0.503 1.00 42.13 C ATOM 1734 CE1 TYR A 123 -1.386 2.574 -1.017 1.00 11.41 C ATOM 1735 CE2 TYR A 123 -0.380 4.355 0.210 1.00 3.30 C ATOM 1736 CZ TYR A 123 -0.269 3.218 -0.548 1.00 14.14 C ATOM 1737 OH TYR A 123 0.970 2.718 -0.814 1.00 32.32 O ATOM 0 H TYR A 123 -5.169 2.468 0.770 1.00 61.22 H new ATOM 0 HA TYR A 123 -4.106 4.572 2.532 1.00 12.23 H new ATOM 0 HB2 TYR A 123 -4.772 4.591 -0.444 1.00 11.21 H new ATOM 0 HB3 TYR A 123 -4.001 5.885 0.452 1.00 11.21 H new ATOM 0 HD1 TYR A 123 -3.506 2.567 -1.093 1.00 52.22 H new ATOM 0 HD2 TYR A 123 -1.691 5.746 1.102 1.00 42.13 H new ATOM 0 HE1 TYR A 123 -1.286 1.679 -1.613 1.00 11.41 H new ATOM 0 HE2 TYR A 123 0.507 4.854 0.572 1.00 3.30 H new ATOM 0 HH TYR A 123 1.550 2.850 -0.035 1.00 32.32 H new ATOM 1747 N ILE A 124 -6.364 5.523 2.806 1.00 33.11 N ATOM 1748 CA ILE A 124 -7.655 6.171 2.986 1.00 5.21 C ATOM 1749 C ILE A 124 -7.394 7.652 3.135 1.00 45.11 C ATOM 1750 O ILE A 124 -6.310 8.026 3.591 1.00 54.02 O ATOM 1751 CB ILE A 124 -8.350 5.675 4.286 1.00 65.10 C ATOM 1752 CG1 ILE A 124 -8.488 4.159 4.299 1.00 5.23 C ATOM 1753 CG2 ILE A 124 -9.714 6.343 4.509 1.00 23.12 C ATOM 1754 CD1 ILE A 124 -9.221 3.650 5.523 1.00 31.52 C ATOM 0 H ILE A 124 -5.711 5.670 3.575 1.00 33.11 H new ATOM 0 HA ILE A 124 -8.298 5.944 2.135 1.00 5.21 H new ATOM 0 HB ILE A 124 -7.704 5.968 5.114 1.00 65.10 H new ATOM 0 HG12 ILE A 124 -9.019 3.839 3.403 1.00 5.23 H new ATOM 0 HG13 ILE A 124 -7.497 3.708 4.260 1.00 5.23 H new ATOM 0 HG21 ILE A 124 -10.159 5.964 5.429 1.00 23.12 H new ATOM 0 HG22 ILE A 124 -9.582 7.422 4.588 1.00 23.12 H new ATOM 0 HG23 ILE A 124 -10.371 6.118 3.669 1.00 23.12 H new ATOM 0 HD11 ILE A 124 -9.290 2.563 5.480 1.00 31.52 H new ATOM 0 HD12 ILE A 124 -8.677 3.943 6.421 1.00 31.52 H new ATOM 0 HD13 ILE A 124 -10.224 4.077 5.550 1.00 31.52 H new ATOM 1766 N TRP A 125 -8.314 8.491 2.730 1.00 43.54 N ATOM 1767 CA TRP A 125 -8.139 9.885 2.983 1.00 74.40 C ATOM 1768 C TRP A 125 -9.410 10.482 3.503 1.00 32.10 C ATOM 1769 O TRP A 125 -10.534 10.019 3.151 1.00 73.14 O ATOM 1770 CB TRP A 125 -7.579 10.665 1.766 1.00 34.14 C ATOM 1771 CG TRP A 125 -8.553 11.205 0.742 1.00 40.53 C ATOM 1772 CD1 TRP A 125 -8.792 12.522 0.494 1.00 21.24 C ATOM 1773 CD2 TRP A 125 -9.395 10.477 -0.165 1.00 54.34 C ATOM 1774 NE1 TRP A 125 -9.682 12.657 -0.533 1.00 11.13 N ATOM 1775 CE2 TRP A 125 -10.073 11.426 -0.947 1.00 25.23 C ATOM 1776 CE3 TRP A 125 -9.634 9.137 -0.401 1.00 35.24 C ATOM 1777 CZ2 TRP A 125 -10.961 11.069 -1.945 1.00 23.41 C ATOM 1778 CZ3 TRP A 125 -10.525 8.780 -1.391 1.00 11.13 C ATOM 1779 CH2 TRP A 125 -11.175 9.750 -2.152 1.00 42.15 C ATOM 0 H TRP A 125 -9.169 8.235 2.236 1.00 43.54 H new ATOM 0 HA TRP A 125 -7.374 9.979 3.754 1.00 74.40 H new ATOM 0 HB2 TRP A 125 -7.001 11.506 2.149 1.00 34.14 H new ATOM 0 HB3 TRP A 125 -6.881 10.010 1.245 1.00 34.14 H new ATOM 0 HD1 TRP A 125 -8.342 13.343 1.033 1.00 21.24 H new ATOM 0 HE1 TRP A 125 -10.002 13.542 -0.926 1.00 11.13 H new ATOM 0 HE3 TRP A 125 -9.130 8.380 0.182 1.00 35.24 H new ATOM 0 HZ2 TRP A 125 -11.466 11.817 -2.538 1.00 23.41 H new ATOM 0 HZ3 TRP A 125 -10.722 7.735 -1.579 1.00 11.13 H new ATOM 0 HH2 TRP A 125 -11.865 9.441 -2.924 1.00 42.15 H new ATOM 1790 N ARG A 126 -9.247 11.429 4.388 1.00 34.52 N ATOM 1791 CA ARG A 126 -10.343 12.165 4.913 1.00 54.24 C ATOM 1792 C ARG A 126 -10.541 13.365 4.071 1.00 24.43 C ATOM 1793 O ARG A 126 -9.681 14.239 3.992 1.00 12.32 O ATOM 1794 CB ARG A 126 -10.160 12.541 6.392 1.00 12.31 C ATOM 1795 CG ARG A 126 -11.286 13.419 6.945 1.00 12.23 C ATOM 1796 CD ARG A 126 -11.725 13.004 8.347 1.00 33.33 C ATOM 1797 NE ARG A 126 -10.642 13.007 9.341 1.00 54.32 N ATOM 1798 CZ ARG A 126 -10.815 12.719 10.642 1.00 51.21 C ATOM 1799 NH1 ARG A 126 -12.036 12.448 11.110 1.00 31.32 N ATOM 1800 NH2 ARG A 126 -9.773 12.712 11.456 1.00 62.42 N ATOM 0 H ARG A 126 -8.339 11.706 4.761 1.00 34.52 H new ATOM 0 HA ARG A 126 -11.231 11.534 4.885 1.00 54.24 H new ATOM 0 HB2 ARG A 126 -10.097 11.629 6.985 1.00 12.31 H new ATOM 0 HB3 ARG A 126 -9.211 13.064 6.511 1.00 12.31 H new ATOM 0 HG2 ARG A 126 -10.954 14.457 6.965 1.00 12.23 H new ATOM 0 HG3 ARG A 126 -12.142 13.371 6.272 1.00 12.23 H new ATOM 0 HD2 ARG A 126 -12.514 13.677 8.683 1.00 33.33 H new ATOM 0 HD3 ARG A 126 -12.157 12.005 8.300 1.00 33.33 H new ATOM 0 HE ARG A 126 -9.702 13.242 9.024 1.00 54.32 H new ATOM 0 HH11 ARG A 126 -12.838 12.460 10.480 1.00 31.32 H new ATOM 0 HH12 ARG A 126 -12.167 12.229 12.098 1.00 31.32 H new ATOM 0 HH21 ARG A 126 -8.843 12.925 11.096 1.00 62.42 H new ATOM 0 HH22 ARG A 126 -9.899 12.494 12.444 1.00 62.42 H new ATOM 1814 N ARG A 127 -11.642 13.373 3.414 1.00 61.51 N ATOM 1815 CA ARG A 127 -12.014 14.430 2.537 1.00 4.23 C ATOM 1816 C ARG A 127 -12.344 15.667 3.328 1.00 72.52 C ATOM 1817 O ARG A 127 -12.686 15.574 4.505 1.00 75.31 O ATOM 1818 CB ARG A 127 -13.220 13.964 1.737 1.00 23.04 C ATOM 1819 CG ARG A 127 -12.868 12.878 0.766 1.00 34.00 C ATOM 1820 CD ARG A 127 -14.062 12.354 -0.002 1.00 71.44 C ATOM 1821 NE ARG A 127 -14.980 11.557 0.829 1.00 61.15 N ATOM 1822 CZ ARG A 127 -15.856 10.668 0.332 1.00 14.21 C ATOM 1823 NH1 ARG A 127 -15.906 10.461 -0.971 1.00 42.31 N ATOM 1824 NH2 ARG A 127 -16.675 9.989 1.131 1.00 45.53 N ATOM 0 H ARG A 127 -12.332 12.624 3.471 1.00 61.51 H new ATOM 0 HA ARG A 127 -11.193 14.678 1.864 1.00 4.23 H new ATOM 0 HB2 ARG A 127 -13.990 13.604 2.419 1.00 23.04 H new ATOM 0 HB3 ARG A 127 -13.644 14.810 1.196 1.00 23.04 H new ATOM 0 HG2 ARG A 127 -12.128 13.256 0.061 1.00 34.00 H new ATOM 0 HG3 ARG A 127 -12.402 12.054 1.306 1.00 34.00 H new ATOM 0 HD2 ARG A 127 -14.607 13.194 -0.431 1.00 71.44 H new ATOM 0 HD3 ARG A 127 -13.712 11.743 -0.834 1.00 71.44 H new ATOM 0 HE ARG A 127 -14.949 11.687 1.840 1.00 61.15 H new ATOM 0 HH11 ARG A 127 -15.282 10.975 -1.593 1.00 42.31 H new ATOM 0 HH12 ARG A 127 -16.569 9.787 -1.355 1.00 42.31 H new ATOM 0 HH21 ARG A 127 -16.644 10.139 2.139 1.00 45.53 H new ATOM 0 HH22 ARG A 127 -17.333 9.318 0.735 1.00 45.53 H new ATOM 1838 N LYS A 128 -12.279 16.823 2.690 1.00 24.23 N ATOM 1839 CA LYS A 128 -12.668 18.080 3.338 1.00 31.04 C ATOM 1840 C LYS A 128 -14.174 18.083 3.549 1.00 50.34 C ATOM 1841 O LYS A 128 -14.720 18.876 4.309 1.00 21.22 O ATOM 1842 CB LYS A 128 -12.229 19.284 2.518 1.00 43.11 C ATOM 1843 CG LYS A 128 -10.718 19.418 2.400 1.00 51.33 C ATOM 1844 CD LYS A 128 -10.320 20.611 1.548 1.00 43.01 C ATOM 1845 CE LYS A 128 -10.810 21.928 2.133 1.00 70.52 C ATOM 1846 NZ LYS A 128 -10.402 23.077 1.309 1.00 22.43 N ATOM 0 H LYS A 128 -11.962 16.925 1.726 1.00 24.23 H new ATOM 0 HA LYS A 128 -12.167 18.153 4.303 1.00 31.04 H new ATOM 0 HB2 LYS A 128 -12.659 19.210 1.519 1.00 43.11 H new ATOM 0 HB3 LYS A 128 -12.632 20.189 2.972 1.00 43.11 H new ATOM 0 HG2 LYS A 128 -10.284 19.521 3.395 1.00 51.33 H new ATOM 0 HG3 LYS A 128 -10.306 18.508 1.965 1.00 51.33 H new ATOM 0 HD2 LYS A 128 -9.235 20.640 1.452 1.00 43.01 H new ATOM 0 HD3 LYS A 128 -10.726 20.489 0.544 1.00 43.01 H new ATOM 0 HE2 LYS A 128 -11.897 21.907 2.215 1.00 70.52 H new ATOM 0 HE3 LYS A 128 -10.416 22.046 3.142 1.00 70.52 H new ATOM 0 HZ1 LYS A 128 -10.754 23.956 1.740 1.00 22.43 H new ATOM 0 HZ2 LYS A 128 -9.364 23.112 1.251 1.00 22.43 H new ATOM 0 HZ3 LYS A 128 -10.799 22.977 0.353 1.00 22.43 H new ATOM 1860 N ASP A 129 -14.818 17.161 2.853 1.00 63.01 N ATOM 1861 CA ASP A 129 -16.230 16.851 2.998 1.00 15.31 C ATOM 1862 C ASP A 129 -16.467 16.238 4.395 1.00 51.22 C ATOM 1863 O ASP A 129 -17.578 16.221 4.906 1.00 42.24 O ATOM 1864 CB ASP A 129 -16.582 15.810 1.915 1.00 34.42 C ATOM 1865 CG ASP A 129 -18.021 15.366 1.913 1.00 24.11 C ATOM 1866 OD1 ASP A 129 -18.350 14.374 2.589 1.00 51.13 O ATOM 1867 OD2 ASP A 129 -18.842 15.997 1.211 1.00 4.13 O ATOM 0 H ASP A 129 -14.356 16.588 2.147 1.00 63.01 H new ATOM 0 HA ASP A 129 -16.845 17.745 2.891 1.00 15.31 H new ATOM 0 HB2 ASP A 129 -16.344 16.228 0.937 1.00 34.42 H new ATOM 0 HB3 ASP A 129 -15.946 14.935 2.051 1.00 34.42 H new ATOM 1872 N GLY A 130 -15.385 15.777 5.015 1.00 54.51 N ATOM 1873 CA GLY A 130 -15.438 15.227 6.356 1.00 2.43 C ATOM 1874 C GLY A 130 -15.484 13.724 6.329 1.00 51.12 C ATOM 1875 O GLY A 130 -15.104 13.053 7.283 1.00 50.12 O ATOM 0 H GLY A 130 -14.453 15.776 4.600 1.00 54.51 H new ATOM 0 HA2 GLY A 130 -14.566 15.556 6.921 1.00 2.43 H new ATOM 0 HA3 GLY A 130 -16.317 15.611 6.874 1.00 2.43 H new ATOM 1879 N SER A 131 -15.943 13.209 5.234 1.00 43.23 N ATOM 1880 CA SER A 131 -16.083 11.816 5.037 1.00 72.22 C ATOM 1881 C SER A 131 -14.797 11.230 4.470 1.00 32.13 C ATOM 1882 O SER A 131 -14.198 11.782 3.546 1.00 23.04 O ATOM 1883 CB SER A 131 -17.258 11.573 4.085 1.00 53.42 C ATOM 1884 OG SER A 131 -17.404 10.207 3.765 1.00 51.14 O ATOM 0 H SER A 131 -16.237 13.769 4.434 1.00 43.23 H new ATOM 0 HA SER A 131 -16.280 11.324 5.989 1.00 72.22 H new ATOM 0 HB2 SER A 131 -18.177 11.939 4.543 1.00 53.42 H new ATOM 0 HB3 SER A 131 -17.108 12.146 3.170 1.00 53.42 H new ATOM 0 HG SER A 131 -18.251 10.071 3.291 1.00 51.14 H new ATOM 1890 N CYS A 132 -14.387 10.152 5.031 1.00 1.12 N ATOM 1891 CA CYS A 132 -13.236 9.412 4.573 1.00 31.43 C ATOM 1892 C CYS A 132 -13.661 8.377 3.566 1.00 4.12 C ATOM 1893 O CYS A 132 -14.792 7.866 3.608 1.00 11.43 O ATOM 1894 CB CYS A 132 -12.517 8.710 5.726 1.00 51.21 C ATOM 1895 SG CYS A 132 -11.754 9.811 6.916 1.00 11.42 S ATOM 0 H CYS A 132 -14.844 9.737 5.843 1.00 1.12 H new ATOM 0 HA CYS A 132 -12.549 10.126 4.120 1.00 31.43 H new ATOM 0 HB2 CYS A 132 -13.232 8.073 6.247 1.00 51.21 H new ATOM 0 HB3 CYS A 132 -11.749 8.056 5.313 1.00 51.21 H new ATOM 0 HG CYS A 132 -10.466 9.814 6.740 1.00 11.42 H new ATOM 1901 N TRP A 133 -12.778 8.073 2.672 1.00 50.04 N ATOM 1902 CA TRP A 133 -13.007 7.077 1.684 1.00 35.23 C ATOM 1903 C TRP A 133 -11.669 6.471 1.304 1.00 42.14 C ATOM 1904 O TRP A 133 -10.617 7.078 1.546 1.00 45.55 O ATOM 1905 CB TRP A 133 -13.778 7.635 0.456 1.00 72.34 C ATOM 1906 CG TRP A 133 -14.168 6.562 -0.525 1.00 24.52 C ATOM 1907 CD1 TRP A 133 -14.669 5.344 -0.221 1.00 51.35 C ATOM 1908 CD2 TRP A 133 -14.102 6.613 -1.950 1.00 23.10 C ATOM 1909 NE1 TRP A 133 -14.865 4.619 -1.352 1.00 4.11 N ATOM 1910 CE2 TRP A 133 -14.544 5.376 -2.430 1.00 22.40 C ATOM 1911 CE3 TRP A 133 -13.708 7.570 -2.852 1.00 54.31 C ATOM 1912 CZ2 TRP A 133 -14.596 5.072 -3.785 1.00 42.40 C ATOM 1913 CZ3 TRP A 133 -13.760 7.284 -4.204 1.00 2.13 C ATOM 1914 CH2 TRP A 133 -14.201 6.040 -4.658 1.00 31.44 C ATOM 0 H TRP A 133 -11.863 8.519 2.609 1.00 50.04 H new ATOM 0 HA TRP A 133 -13.652 6.298 2.092 1.00 35.23 H new ATOM 0 HB2 TRP A 133 -14.675 8.150 0.799 1.00 72.34 H new ATOM 0 HB3 TRP A 133 -13.159 8.376 -0.050 1.00 72.34 H new ATOM 0 HD1 TRP A 133 -14.883 4.997 0.779 1.00 51.35 H new ATOM 0 HE1 TRP A 133 -15.201 3.656 -1.385 1.00 4.11 H new ATOM 0 HE3 TRP A 133 -13.362 8.534 -2.510 1.00 54.31 H new ATOM 0 HZ2 TRP A 133 -14.936 4.107 -4.132 1.00 42.40 H new ATOM 0 HZ3 TRP A 133 -13.455 8.034 -4.919 1.00 2.13 H new ATOM 0 HH2 TRP A 133 -14.230 5.842 -5.719 1.00 31.44 H new ATOM 1925 N LEU A 134 -11.709 5.264 0.811 1.00 30.33 N ATOM 1926 CA LEU A 134 -10.549 4.542 0.388 1.00 73.33 C ATOM 1927 C LEU A 134 -9.958 5.256 -0.806 1.00 0.43 C ATOM 1928 O LEU A 134 -10.606 5.399 -1.846 1.00 14.14 O ATOM 1929 CB LEU A 134 -10.921 3.101 -0.013 1.00 25.13 C ATOM 1930 CG LEU A 134 -11.641 2.238 1.037 1.00 33.54 C ATOM 1931 CD1 LEU A 134 -11.908 0.845 0.491 1.00 33.05 C ATOM 1932 CD2 LEU A 134 -10.845 2.155 2.326 1.00 15.03 C ATOM 0 H LEU A 134 -12.578 4.743 0.690 1.00 30.33 H new ATOM 0 HA LEU A 134 -9.831 4.496 1.207 1.00 73.33 H new ATOM 0 HB2 LEU A 134 -11.553 3.151 -0.899 1.00 25.13 H new ATOM 0 HB3 LEU A 134 -10.006 2.585 -0.303 1.00 25.13 H new ATOM 0 HG LEU A 134 -12.594 2.717 1.261 1.00 33.54 H new ATOM 0 HD11 LEU A 134 -12.418 0.249 1.248 1.00 33.05 H new ATOM 0 HD12 LEU A 134 -12.535 0.917 -0.398 1.00 33.05 H new ATOM 0 HD13 LEU A 134 -10.963 0.369 0.231 1.00 33.05 H new ATOM 0 HD21 LEU A 134 -11.382 1.538 3.046 1.00 15.03 H new ATOM 0 HD22 LEU A 134 -9.870 1.711 2.124 1.00 15.03 H new ATOM 0 HD23 LEU A 134 -10.710 3.156 2.735 1.00 15.03 H new ATOM 1944 N HIS A 135 -8.760 5.721 -0.645 1.00 30.30 N ATOM 1945 CA HIS A 135 -8.079 6.419 -1.684 1.00 73.41 C ATOM 1946 C HIS A 135 -7.633 5.393 -2.674 1.00 3.13 C ATOM 1947 O HIS A 135 -8.021 5.412 -3.842 1.00 65.14 O ATOM 1948 CB HIS A 135 -6.870 7.197 -1.112 1.00 62.12 C ATOM 1949 CG HIS A 135 -6.227 8.142 -2.085 1.00 20.04 C ATOM 1950 ND1 HIS A 135 -4.878 8.174 -2.366 1.00 53.13 N ATOM 1951 CD2 HIS A 135 -6.779 9.140 -2.812 1.00 64.22 C ATOM 1952 CE1 HIS A 135 -4.660 9.165 -3.229 1.00 51.14 C ATOM 1953 NE2 HIS A 135 -5.786 9.785 -3.532 1.00 22.11 N ATOM 0 H HIS A 135 -8.225 5.625 0.218 1.00 30.30 H new ATOM 0 HA HIS A 135 -8.733 7.151 -2.158 1.00 73.41 H new ATOM 0 HB2 HIS A 135 -7.196 7.760 -0.238 1.00 62.12 H new ATOM 0 HB3 HIS A 135 -6.122 6.482 -0.769 1.00 62.12 H new ATOM 0 HD2 HIS A 135 -7.829 9.394 -2.829 1.00 64.22 H new ATOM 0 HE1 HIS A 135 -3.691 9.427 -3.628 1.00 51.14 H new ATOM 0 HE2 HIS A 135 -5.901 10.576 -4.166 1.00 22.11 H new ATOM 1961 N SER A 136 -6.887 4.450 -2.182 1.00 75.41 N ATOM 1962 CA SER A 136 -6.356 3.363 -2.967 1.00 33.34 C ATOM 1963 C SER A 136 -5.833 2.340 -2.002 1.00 40.13 C ATOM 1964 O SER A 136 -5.886 2.556 -0.812 1.00 42.51 O ATOM 1965 CB SER A 136 -5.224 3.828 -3.921 1.00 51.14 C ATOM 1966 OG SER A 136 -5.667 4.822 -4.848 1.00 54.15 O ATOM 0 H SER A 136 -6.621 4.409 -1.198 1.00 75.41 H new ATOM 0 HA SER A 136 -7.142 2.952 -3.601 1.00 33.34 H new ATOM 0 HB2 SER A 136 -4.397 4.226 -3.333 1.00 51.14 H new ATOM 0 HB3 SER A 136 -4.839 2.969 -4.470 1.00 51.14 H new ATOM 0 HG SER A 136 -6.643 4.897 -4.806 1.00 54.15 H new ATOM 1972 N VAL A 137 -5.393 1.238 -2.482 1.00 60.54 N ATOM 1973 CA VAL A 137 -4.788 0.224 -1.659 1.00 62.51 C ATOM 1974 C VAL A 137 -3.662 -0.357 -2.478 1.00 61.33 C ATOM 1975 O VAL A 137 -3.767 -0.415 -3.696 1.00 63.45 O ATOM 1976 CB VAL A 137 -5.785 -0.916 -1.324 1.00 74.24 C ATOM 1977 CG1 VAL A 137 -5.170 -1.952 -0.395 1.00 55.23 C ATOM 1978 CG2 VAL A 137 -7.115 -0.416 -0.765 1.00 72.21 C ATOM 0 H VAL A 137 -5.437 0.997 -3.472 1.00 60.54 H new ATOM 0 HA VAL A 137 -4.456 0.660 -0.717 1.00 62.51 H new ATOM 0 HB VAL A 137 -6.006 -1.394 -2.278 1.00 74.24 H new ATOM 0 HG11 VAL A 137 -5.901 -2.733 -0.186 1.00 55.23 H new ATOM 0 HG12 VAL A 137 -4.294 -2.393 -0.871 1.00 55.23 H new ATOM 0 HG13 VAL A 137 -4.873 -1.473 0.538 1.00 55.23 H new ATOM 0 HG21 VAL A 137 -7.763 -1.266 -0.553 1.00 72.21 H new ATOM 0 HG22 VAL A 137 -6.937 0.142 0.154 1.00 72.21 H new ATOM 0 HG23 VAL A 137 -7.596 0.234 -1.496 1.00 72.21 H new ATOM 1988 N LYS A 138 -2.600 -0.733 -1.854 1.00 35.34 N ATOM 1989 CA LYS A 138 -1.498 -1.316 -2.541 1.00 22.43 C ATOM 1990 C LYS A 138 -1.079 -2.587 -1.847 1.00 15.03 C ATOM 1991 O LYS A 138 -0.904 -2.617 -0.636 1.00 54.33 O ATOM 1992 CB LYS A 138 -0.340 -0.334 -2.568 1.00 71.21 C ATOM 1993 CG LYS A 138 0.910 -0.807 -3.292 1.00 35.12 C ATOM 1994 CD LYS A 138 2.067 0.164 -3.058 1.00 11.21 C ATOM 1995 CE LYS A 138 1.757 1.555 -3.592 1.00 1.34 C ATOM 1996 NZ LYS A 138 2.743 2.552 -3.142 1.00 64.35 N ATOM 0 H LYS A 138 -2.470 -0.645 -0.846 1.00 35.34 H new ATOM 0 HA LYS A 138 -1.792 -1.552 -3.564 1.00 22.43 H new ATOM 0 HB2 LYS A 138 -0.681 0.589 -3.037 1.00 71.21 H new ATOM 0 HB3 LYS A 138 -0.071 -0.089 -1.540 1.00 71.21 H new ATOM 0 HG2 LYS A 138 1.186 -1.801 -2.941 1.00 35.12 H new ATOM 0 HG3 LYS A 138 0.709 -0.891 -4.360 1.00 35.12 H new ATOM 0 HD2 LYS A 138 2.280 0.224 -1.991 1.00 11.21 H new ATOM 0 HD3 LYS A 138 2.966 -0.219 -3.542 1.00 11.21 H new ATOM 0 HE2 LYS A 138 1.739 1.529 -4.682 1.00 1.34 H new ATOM 0 HE3 LYS A 138 0.762 1.856 -3.264 1.00 1.34 H new ATOM 0 HZ1 LYS A 138 2.783 3.334 -3.826 1.00 64.35 H new ATOM 0 HZ2 LYS A 138 2.464 2.920 -2.210 1.00 64.35 H new ATOM 0 HZ3 LYS A 138 3.680 2.106 -3.071 1.00 64.35 H new ATOM 2010 N PHE A 139 -0.935 -3.608 -2.606 1.00 73.44 N ATOM 2011 CA PHE A 139 -0.455 -4.862 -2.141 1.00 63.21 C ATOM 2012 C PHE A 139 0.844 -5.113 -2.828 1.00 72.02 C ATOM 2013 O PHE A 139 0.924 -5.005 -4.042 1.00 33.41 O ATOM 2014 CB PHE A 139 -1.438 -5.978 -2.483 1.00 14.51 C ATOM 2015 CG PHE A 139 -2.761 -5.812 -1.822 1.00 54.44 C ATOM 2016 CD1 PHE A 139 -3.874 -5.437 -2.539 1.00 72.12 C ATOM 2017 CD2 PHE A 139 -2.880 -6.013 -0.474 1.00 35.32 C ATOM 2018 CE1 PHE A 139 -5.087 -5.270 -1.909 1.00 1.34 C ATOM 2019 CE2 PHE A 139 -4.081 -5.850 0.165 1.00 51.13 C ATOM 2020 CZ PHE A 139 -5.191 -5.479 -0.551 1.00 70.41 C ATOM 0 H PHE A 139 -1.154 -3.598 -3.602 1.00 73.44 H new ATOM 0 HA PHE A 139 -0.337 -4.844 -1.058 1.00 63.21 H new ATOM 0 HB2 PHE A 139 -1.580 -6.011 -3.563 1.00 14.51 H new ATOM 0 HB3 PHE A 139 -1.009 -6.936 -2.188 1.00 14.51 H new ATOM 0 HD1 PHE A 139 -3.796 -5.272 -3.604 1.00 72.12 H new ATOM 0 HD2 PHE A 139 -2.011 -6.306 0.097 1.00 35.32 H new ATOM 0 HE1 PHE A 139 -5.956 -4.976 -2.479 1.00 1.34 H new ATOM 0 HE2 PHE A 139 -4.154 -6.013 1.230 1.00 51.13 H new ATOM 0 HZ PHE A 139 -6.141 -5.352 -0.053 1.00 70.41 H new ATOM 2030 N ILE A 140 1.854 -5.389 -2.092 1.00 22.44 N ATOM 2031 CA ILE A 140 3.136 -5.654 -2.666 1.00 20.33 C ATOM 2032 C ILE A 140 3.635 -6.949 -2.128 1.00 61.30 C ATOM 2033 O ILE A 140 4.139 -7.047 -1.003 1.00 14.42 O ATOM 2034 CB ILE A 140 4.159 -4.487 -2.470 1.00 24.32 C ATOM 2035 CG1 ILE A 140 4.156 -3.987 -1.019 1.00 15.15 C ATOM 2036 CG2 ILE A 140 3.889 -3.348 -3.453 1.00 34.41 C ATOM 2037 CD1 ILE A 140 5.059 -2.808 -0.750 1.00 74.43 C ATOM 0 H ILE A 140 1.825 -5.440 -1.074 1.00 22.44 H new ATOM 0 HA ILE A 140 3.024 -5.729 -3.748 1.00 20.33 H new ATOM 0 HB ILE A 140 5.155 -4.876 -2.682 1.00 24.32 H new ATOM 0 HG12 ILE A 140 3.136 -3.715 -0.746 1.00 15.15 H new ATOM 0 HG13 ILE A 140 4.452 -4.809 -0.367 1.00 15.15 H new ATOM 0 HG21 ILE A 140 4.615 -2.551 -3.294 1.00 34.41 H new ATOM 0 HG22 ILE A 140 3.976 -3.720 -4.474 1.00 34.41 H new ATOM 0 HG23 ILE A 140 2.883 -2.960 -3.293 1.00 34.41 H new ATOM 0 HD11 ILE A 140 4.988 -2.528 0.301 1.00 74.43 H new ATOM 0 HD12 ILE A 140 6.089 -3.077 -0.985 1.00 74.43 H new ATOM 0 HD13 ILE A 140 4.753 -1.966 -1.371 1.00 74.43 H new ATOM 2049 N MET A 141 3.449 -7.955 -2.904 1.00 2.04 N ATOM 2050 CA MET A 141 3.786 -9.266 -2.500 1.00 21.13 C ATOM 2051 C MET A 141 5.175 -9.580 -2.954 1.00 51.11 C ATOM 2052 O MET A 141 5.515 -9.405 -4.127 1.00 14.03 O ATOM 2053 CB MET A 141 2.721 -10.293 -2.958 1.00 3.52 C ATOM 2054 CG MET A 141 2.473 -10.346 -4.464 1.00 62.34 C ATOM 2055 SD MET A 141 0.989 -11.290 -4.915 1.00 31.14 S ATOM 2056 CE MET A 141 1.357 -12.890 -4.212 1.00 71.22 C ATOM 0 H MET A 141 3.056 -7.888 -3.843 1.00 2.04 H new ATOM 0 HA MET A 141 3.782 -9.333 -1.412 1.00 21.13 H new ATOM 0 HB2 MET A 141 3.027 -11.284 -2.621 1.00 3.52 H new ATOM 0 HB3 MET A 141 1.780 -10.063 -2.459 1.00 3.52 H new ATOM 0 HG2 MET A 141 2.378 -9.329 -4.846 1.00 62.34 H new ATOM 0 HG3 MET A 141 3.340 -10.790 -4.953 1.00 62.34 H new ATOM 0 HE1 MET A 141 0.613 -13.614 -4.545 1.00 71.22 H new ATOM 0 HE2 MET A 141 2.347 -13.211 -4.537 1.00 71.22 H new ATOM 0 HE3 MET A 141 1.336 -12.823 -3.124 1.00 71.22 H new ATOM 2066 N SER A 142 5.972 -9.963 -1.993 1.00 22.15 N ATOM 2067 CA SER A 142 7.377 -10.251 -2.150 1.00 65.30 C ATOM 2068 C SER A 142 8.175 -8.948 -2.185 1.00 52.55 C ATOM 2069 O SER A 142 8.766 -8.557 -3.192 1.00 64.13 O ATOM 2070 CB SER A 142 7.693 -11.201 -3.343 1.00 63.22 C ATOM 2071 OG SER A 142 9.036 -11.660 -3.303 1.00 74.32 O ATOM 0 H SER A 142 5.647 -10.089 -1.034 1.00 22.15 H new ATOM 0 HA SER A 142 7.697 -10.819 -1.276 1.00 65.30 H new ATOM 0 HB2 SER A 142 7.015 -12.054 -3.319 1.00 63.22 H new ATOM 0 HB3 SER A 142 7.514 -10.678 -4.283 1.00 63.22 H new ATOM 0 HG SER A 142 9.201 -12.255 -4.064 1.00 74.32 H new ATOM 2077 N LYS A 143 8.114 -8.272 -1.082 1.00 71.21 N ATOM 2078 CA LYS A 143 8.814 -7.049 -0.829 1.00 43.10 C ATOM 2079 C LYS A 143 10.041 -7.424 -0.050 1.00 61.02 C ATOM 2080 O LYS A 143 9.964 -8.249 0.855 1.00 0.12 O ATOM 2081 CB LYS A 143 7.916 -6.141 0.010 1.00 2.15 C ATOM 2082 CG LYS A 143 8.550 -4.864 0.540 1.00 23.34 C ATOM 2083 CD LYS A 143 8.901 -3.871 -0.547 1.00 33.35 C ATOM 2084 CE LYS A 143 9.479 -2.607 0.067 1.00 31.44 C ATOM 2085 NZ LYS A 143 8.534 -1.947 1.009 1.00 20.50 N ATOM 0 H LYS A 143 7.545 -8.573 -0.291 1.00 71.21 H new ATOM 0 HA LYS A 143 9.081 -6.524 -1.746 1.00 43.10 H new ATOM 0 HB2 LYS A 143 7.049 -5.868 -0.592 1.00 2.15 H new ATOM 0 HB3 LYS A 143 7.546 -6.716 0.859 1.00 2.15 H new ATOM 0 HG2 LYS A 143 7.865 -4.393 1.245 1.00 23.34 H new ATOM 0 HG3 LYS A 143 9.453 -5.119 1.095 1.00 23.34 H new ATOM 0 HD2 LYS A 143 9.622 -4.313 -1.235 1.00 33.35 H new ATOM 0 HD3 LYS A 143 8.012 -3.628 -1.129 1.00 33.35 H new ATOM 0 HE2 LYS A 143 10.401 -2.852 0.594 1.00 31.44 H new ATOM 0 HE3 LYS A 143 9.742 -1.909 -0.727 1.00 31.44 H new ATOM 0 HZ1 LYS A 143 8.918 -1.024 1.296 1.00 20.50 H new ATOM 0 HZ2 LYS A 143 7.616 -1.810 0.540 1.00 20.50 H new ATOM 0 HZ3 LYS A 143 8.408 -2.546 1.850 1.00 20.50 H new