USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 665 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 21 THR OG1 : rot 180:sc= 0.159 USER MOD Set 1.2: A 89 LYS NZ :NH3+ -146:sc= -0.471 (180deg=-3.31!) USER MOD Set 2.1: A 51 TYR OH : rot 172:sc= 0.556 USER MOD Set 2.2: A 57 LYS NZ :NH3+ 173:sc= 0.932 (180deg=0.179) USER MOD Set 3.1: A 33 CYS SG : rot -136:sc= -3.27! USER MOD Set 3.2: A 38 MET CE :methyl -161:sc=-0.00247 (180deg=-0.606) USER MOD Single : A 16 SER OG : rot -22:sc= 0.379 USER MOD Single : A 19 LYS NZ :NH3+ 142:sc= -0.109 (180deg=-0.829) USER MOD Single : A 23 CYS SG : rot 180:sc= -0.116 USER MOD Single : A 27 THR OG1 : rot -170:sc= -0.0997 USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.132) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.0129 X(o=-0.013,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 79:sc= 0.39 USER MOD Single : A 53 LYS NZ :NH3+ -106:sc= 0.908 (180deg=0.122) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot -142:sc= -1.58! USER MOD Single : A 64 GLN : amide:sc= -0.362 X(o=-0.36,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.342 X(o=-0.34,f=-0.61) USER MOD Single : A 70 HIS : +bothHN:sc= -1.37 K(o=-1.4,f=-3.7) USER MOD Single : A 83 CYS SG : rot 180:sc= -0.0551 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 16 -14.832 6.838 5.053 1.00 0.00 N ATOM 2 CA SER A 16 -14.533 7.784 3.980 1.00 0.00 C ATOM 3 C SER A 16 -13.286 8.608 4.297 1.00 0.00 C ATOM 4 O SER A 16 -13.356 9.827 4.451 1.00 0.00 O ATOM 5 CB SER A 16 -15.727 8.712 3.739 1.00 0.00 C ATOM 6 OG SER A 16 -16.342 9.085 4.960 1.00 0.00 O ATOM 0 HA SER A 16 -14.339 7.209 3.075 1.00 0.00 H new ATOM 0 HB2 SER A 16 -15.396 9.605 3.208 1.00 0.00 H new ATOM 0 HB3 SER A 16 -16.455 8.213 3.100 1.00 0.00 H new ATOM 0 HG SER A 16 -16.119 8.429 5.653 1.00 0.00 H new ATOM 12 N GLU A 17 -12.145 7.932 4.393 1.00 0.00 N ATOM 13 CA GLU A 17 -10.881 8.599 4.687 1.00 0.00 C ATOM 14 C GLU A 17 -9.932 8.503 3.497 1.00 0.00 C ATOM 15 O GLU A 17 -10.338 8.138 2.395 1.00 0.00 O ATOM 16 CB GLU A 17 -10.231 7.984 5.927 1.00 0.00 C ATOM 17 CG GLU A 17 -11.202 7.765 7.078 1.00 0.00 C ATOM 18 CD GLU A 17 -11.259 6.319 7.529 1.00 0.00 C ATOM 19 OE1 GLU A 17 -10.279 5.582 7.290 1.00 0.00 O ATOM 20 OE2 GLU A 17 -12.286 5.921 8.121 1.00 0.00 O ATOM 0 H GLU A 17 -12.070 6.922 4.271 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.088 9.651 4.882 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.781 7.029 5.655 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.422 8.633 6.263 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.909 8.392 7.920 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.198 8.086 6.773 1.00 0.00 H new ATOM 27 N PHE A 18 -8.663 8.827 3.727 1.00 0.00 N ATOM 28 CA PHE A 18 -7.659 8.769 2.669 1.00 0.00 C ATOM 29 C PHE A 18 -7.482 7.337 2.178 1.00 0.00 C ATOM 30 O PHE A 18 -7.650 6.385 2.941 1.00 0.00 O ATOM 31 CB PHE A 18 -6.321 9.316 3.171 1.00 0.00 C ATOM 32 CG PHE A 18 -5.598 10.158 2.159 1.00 0.00 C ATOM 33 CD1 PHE A 18 -5.009 9.577 1.047 1.00 0.00 C ATOM 34 CD2 PHE A 18 -5.504 11.531 2.322 1.00 0.00 C ATOM 35 CE1 PHE A 18 -4.343 10.349 0.115 1.00 0.00 C ATOM 36 CE2 PHE A 18 -4.838 12.308 1.393 1.00 0.00 C ATOM 37 CZ PHE A 18 -4.258 11.717 0.289 1.00 0.00 C ATOM 0 H PHE A 18 -8.306 9.131 4.633 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.003 9.385 1.838 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.495 9.910 4.068 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.682 8.481 3.460 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.071 8.508 0.908 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.956 11.999 3.184 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.890 9.884 -0.748 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.772 13.377 1.531 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.738 12.323 -0.438 1.00 0.00 H new ATOM 47 N LYS A 19 -7.143 7.189 0.903 1.00 0.00 N ATOM 48 CA LYS A 19 -6.946 5.867 0.319 1.00 0.00 C ATOM 49 C LYS A 19 -5.959 5.922 -0.841 1.00 0.00 C ATOM 50 O LYS A 19 -6.180 6.624 -1.829 1.00 0.00 O ATOM 51 CB LYS A 19 -8.283 5.294 -0.157 1.00 0.00 C ATOM 52 CG LYS A 19 -8.899 4.301 0.814 1.00 0.00 C ATOM 53 CD LYS A 19 -9.588 3.160 0.083 1.00 0.00 C ATOM 54 CE LYS A 19 -11.022 3.512 -0.272 1.00 0.00 C ATOM 55 NZ LYS A 19 -11.094 4.537 -1.350 1.00 0.00 N ATOM 0 H LYS A 19 -6.999 7.964 0.256 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.532 5.216 1.089 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.983 6.114 -0.319 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.137 4.805 -1.120 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.124 3.900 1.467 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.619 4.813 1.452 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.035 2.922 -0.826 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.575 2.266 0.707 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.548 2.612 -0.592 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.535 3.883 0.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.887 4.317 -1.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.240 5.476 -0.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.206 4.535 -1.891 1.00 0.00 H new ATOM 69 N VAL A 20 -4.870 5.171 -0.716 1.00 0.00 N ATOM 70 CA VAL A 20 -3.850 5.127 -1.755 1.00 0.00 C ATOM 71 C VAL A 20 -3.461 3.689 -2.075 1.00 0.00 C ATOM 72 O VAL A 20 -3.386 2.842 -1.186 1.00 0.00 O ATOM 73 CB VAL A 20 -2.589 5.911 -1.346 1.00 0.00 C ATOM 74 CG1 VAL A 20 -2.830 7.407 -1.459 1.00 0.00 C ATOM 75 CG2 VAL A 20 -2.160 5.538 0.065 1.00 0.00 C ATOM 0 H VAL A 20 -4.672 4.585 0.095 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.281 5.593 -2.641 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.782 5.644 -2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.928 7.944 -1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.083 7.658 -2.489 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.652 7.694 -0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.268 6.103 0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.963 5.773 0.764 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.941 4.471 0.109 1.00 0.00 H new ATOM 85 N THR A 21 -3.215 3.422 -3.353 1.00 0.00 N ATOM 86 CA THR A 21 -2.836 2.086 -3.795 1.00 0.00 C ATOM 87 C THR A 21 -1.354 2.033 -4.151 1.00 0.00 C ATOM 88 O THR A 21 -0.874 2.819 -4.967 1.00 0.00 O ATOM 89 CB THR A 21 -3.676 1.668 -5.003 1.00 0.00 C ATOM 90 OG1 THR A 21 -5.046 1.955 -4.782 1.00 0.00 O ATOM 91 CG2 THR A 21 -3.565 0.195 -5.329 1.00 0.00 C ATOM 0 H THR A 21 -3.271 4.113 -4.101 1.00 0.00 H new ATOM 0 HA THR A 21 -3.021 1.392 -2.975 1.00 0.00 H new ATOM 0 HB THR A 21 -3.280 2.240 -5.842 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.568 1.682 -5.565 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.185 -0.034 -6.196 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.527 -0.051 -5.551 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.903 -0.393 -4.476 1.00 0.00 H new ATOM 99 N VAL A 22 -0.635 1.103 -3.534 1.00 0.00 N ATOM 100 CA VAL A 22 0.791 0.949 -3.787 1.00 0.00 C ATOM 101 C VAL A 22 1.080 -0.370 -4.493 1.00 0.00 C ATOM 102 O VAL A 22 0.952 -1.443 -3.904 1.00 0.00 O ATOM 103 CB VAL A 22 1.611 1.009 -2.484 1.00 0.00 C ATOM 104 CG1 VAL A 22 3.072 1.303 -2.787 1.00 0.00 C ATOM 105 CG2 VAL A 22 1.040 2.051 -1.533 1.00 0.00 C ATOM 0 H VAL A 22 -1.017 0.444 -2.855 1.00 0.00 H new ATOM 0 HA VAL A 22 1.087 1.780 -4.428 1.00 0.00 H new ATOM 0 HB VAL A 22 1.549 0.036 -1.997 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.636 1.342 -1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.477 0.517 -3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.152 2.262 -3.299 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.635 2.075 -0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.066 3.031 -2.009 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.010 1.794 -1.288 1.00 0.00 H new ATOM 115 N CYS A 23 1.467 -0.284 -5.762 1.00 0.00 N ATOM 116 CA CYS A 23 1.771 -1.474 -6.547 1.00 0.00 C ATOM 117 C CYS A 23 3.122 -2.059 -6.149 1.00 0.00 C ATOM 118 O CYS A 23 4.171 -1.560 -6.557 1.00 0.00 O ATOM 119 CB CYS A 23 1.765 -1.140 -8.041 1.00 0.00 C ATOM 120 SG CYS A 23 0.230 -1.582 -8.888 1.00 0.00 S ATOM 0 H CYS A 23 1.577 0.595 -6.267 1.00 0.00 H new ATOM 0 HA CYS A 23 1.001 -2.219 -6.345 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.941 -0.071 -8.164 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.595 -1.658 -8.522 1.00 0.00 H new ATOM 0 HG CYS A 23 0.319 -1.260 -10.144 1.00 0.00 H new ATOM 126 N PHE A 24 3.088 -3.121 -5.353 1.00 0.00 N ATOM 127 CA PHE A 24 4.309 -3.776 -4.901 1.00 0.00 C ATOM 128 C PHE A 24 4.796 -4.782 -5.937 1.00 0.00 C ATOM 129 O PHE A 24 4.318 -5.916 -5.987 1.00 0.00 O ATOM 130 CB PHE A 24 4.074 -4.476 -3.562 1.00 0.00 C ATOM 131 CG PHE A 24 4.325 -3.593 -2.373 1.00 0.00 C ATOM 132 CD1 PHE A 24 3.565 -2.453 -2.167 1.00 0.00 C ATOM 133 CD2 PHE A 24 5.321 -3.904 -1.460 1.00 0.00 C ATOM 134 CE1 PHE A 24 3.795 -1.639 -1.076 1.00 0.00 C ATOM 135 CE2 PHE A 24 5.554 -3.094 -0.365 1.00 0.00 C ATOM 136 CZ PHE A 24 4.790 -1.959 -0.173 1.00 0.00 C ATOM 0 H PHE A 24 2.228 -3.547 -5.007 1.00 0.00 H new ATOM 0 HA PHE A 24 5.076 -3.013 -4.771 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.047 -4.838 -3.526 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.722 -5.350 -3.499 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.784 -2.198 -2.868 1.00 0.00 H new ATOM 0 HD2 PHE A 24 5.922 -4.790 -1.606 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.197 -0.752 -0.929 1.00 0.00 H new ATOM 0 HE2 PHE A 24 6.332 -3.348 0.340 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.970 -1.323 0.681 1.00 0.00 H new ATOM 146 N GLY A 25 5.748 -4.361 -6.767 1.00 0.00 N ATOM 147 CA GLY A 25 6.280 -5.241 -7.794 1.00 0.00 C ATOM 148 C GLY A 25 5.192 -5.858 -8.650 1.00 0.00 C ATOM 149 O GLY A 25 4.764 -5.270 -9.644 1.00 0.00 O ATOM 0 H GLY A 25 6.160 -3.428 -6.747 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.964 -4.680 -8.430 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.861 -6.034 -7.323 1.00 0.00 H new ATOM 153 N ARG A 26 4.740 -7.048 -8.262 1.00 0.00 N ATOM 154 CA ARG A 26 3.691 -7.747 -8.997 1.00 0.00 C ATOM 155 C ARG A 26 2.481 -7.998 -8.100 1.00 0.00 C ATOM 156 O ARG A 26 1.774 -8.993 -8.257 1.00 0.00 O ATOM 157 CB ARG A 26 4.224 -9.071 -9.550 1.00 0.00 C ATOM 158 CG ARG A 26 4.357 -9.088 -11.064 1.00 0.00 C ATOM 159 CD ARG A 26 3.022 -8.839 -11.744 1.00 0.00 C ATOM 160 NE ARG A 26 2.923 -9.524 -13.031 1.00 0.00 N ATOM 161 CZ ARG A 26 2.700 -10.831 -13.161 1.00 0.00 C ATOM 162 NH1 ARG A 26 2.552 -11.596 -12.085 1.00 0.00 N ATOM 163 NH2 ARG A 26 2.625 -11.374 -14.368 1.00 0.00 N ATOM 0 H ARG A 26 5.084 -7.548 -7.442 1.00 0.00 H new ATOM 0 HA ARG A 26 3.377 -7.119 -9.830 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.198 -9.275 -9.106 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.558 -9.878 -9.243 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.073 -8.327 -11.376 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.755 -10.051 -11.384 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.216 -9.175 -11.092 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.886 -7.768 -11.893 1.00 0.00 H new ATOM 0 HE ARG A 26 3.031 -8.969 -13.880 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.609 -11.183 -11.154 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.381 -12.596 -12.190 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.738 -10.791 -15.197 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.454 -12.375 -14.467 1.00 0.00 H new ATOM 177 N THR A 27 2.251 -7.085 -7.160 1.00 0.00 N ATOM 178 CA THR A 27 1.129 -7.204 -6.235 1.00 0.00 C ATOM 179 C THR A 27 0.689 -5.830 -5.740 1.00 0.00 C ATOM 180 O THR A 27 1.457 -5.118 -5.092 1.00 0.00 O ATOM 181 CB THR A 27 1.514 -8.090 -5.048 1.00 0.00 C ATOM 182 OG1 THR A 27 1.919 -9.373 -5.490 1.00 0.00 O ATOM 183 CG2 THR A 27 0.390 -8.281 -4.052 1.00 0.00 C ATOM 0 H THR A 27 2.827 -6.255 -7.019 1.00 0.00 H new ATOM 0 HA THR A 27 0.295 -7.663 -6.766 1.00 0.00 H new ATOM 0 HB THR A 27 2.331 -7.567 -4.552 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.009 -9.971 -4.719 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.731 -8.919 -3.237 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.089 -7.312 -3.653 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.460 -8.750 -4.548 1.00 0.00 H new ATOM 191 N ARG A 28 -0.549 -5.462 -6.050 1.00 0.00 N ATOM 192 CA ARG A 28 -1.088 -4.171 -5.637 1.00 0.00 C ATOM 193 C ARG A 28 -1.796 -4.279 -4.290 1.00 0.00 C ATOM 194 O ARG A 28 -2.565 -5.211 -4.054 1.00 0.00 O ATOM 195 CB ARG A 28 -2.056 -3.637 -6.695 1.00 0.00 C ATOM 196 CG ARG A 28 -3.232 -4.562 -6.970 1.00 0.00 C ATOM 197 CD ARG A 28 -4.531 -4.008 -6.403 1.00 0.00 C ATOM 198 NE ARG A 28 -5.589 -3.958 -7.407 1.00 0.00 N ATOM 199 CZ ARG A 28 -5.575 -3.143 -8.460 1.00 0.00 C ATOM 200 NH1 ARG A 28 -4.559 -2.310 -8.649 1.00 0.00 N ATOM 201 NH2 ARG A 28 -6.579 -3.160 -9.325 1.00 0.00 N ATOM 0 H ARG A 28 -1.198 -6.039 -6.585 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.255 -3.476 -5.532 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.435 -2.668 -6.371 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.510 -3.472 -7.624 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.337 -4.707 -8.045 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.034 -5.541 -6.535 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.854 -4.627 -5.566 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.357 -3.006 -6.010 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.386 -4.584 -7.296 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.784 -2.292 -7.986 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.553 -1.688 -9.457 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.363 -3.797 -9.184 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.568 -2.536 -10.131 1.00 0.00 H new ATOM 215 N VAL A 29 -1.529 -3.318 -3.411 1.00 0.00 N ATOM 216 CA VAL A 29 -2.140 -3.302 -2.086 1.00 0.00 C ATOM 217 C VAL A 29 -2.681 -1.918 -1.746 1.00 0.00 C ATOM 218 O VAL A 29 -2.030 -0.906 -2.001 1.00 0.00 O ATOM 219 CB VAL A 29 -1.133 -3.727 -1.000 1.00 0.00 C ATOM 220 CG1 VAL A 29 -0.798 -5.204 -1.128 1.00 0.00 C ATOM 221 CG2 VAL A 29 0.126 -2.878 -1.079 1.00 0.00 C ATOM 0 H VAL A 29 -0.894 -2.541 -3.592 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.964 -4.015 -2.109 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.591 -3.567 -0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.086 -5.484 -0.352 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.707 -5.794 -1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.361 -5.394 -2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.826 -3.192 -0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.588 -3.003 -2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.132 -1.829 -0.931 1.00 0.00 H new ATOM 231 N ASP A 30 -3.877 -1.882 -1.168 1.00 0.00 N ATOM 232 CA ASP A 30 -4.507 -0.621 -0.791 1.00 0.00 C ATOM 233 C ASP A 30 -4.062 -0.186 0.601 1.00 0.00 C ATOM 234 O ASP A 30 -3.775 -1.021 1.461 1.00 0.00 O ATOM 235 CB ASP A 30 -6.029 -0.754 -0.837 1.00 0.00 C ATOM 236 CG ASP A 30 -6.703 0.494 -1.378 1.00 0.00 C ATOM 237 OD1 ASP A 30 -6.830 1.476 -0.618 1.00 0.00 O ATOM 238 OD2 ASP A 30 -7.105 0.485 -2.561 1.00 0.00 O ATOM 0 H ASP A 30 -4.430 -2.711 -0.950 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.196 0.141 -1.506 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.298 -1.608 -1.459 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.403 -0.960 0.166 1.00 0.00 H new ATOM 243 N VAL A 31 -4.005 1.124 0.818 1.00 0.00 N ATOM 244 CA VAL A 31 -3.594 1.667 2.107 1.00 0.00 C ATOM 245 C VAL A 31 -4.460 2.860 2.506 1.00 0.00 C ATOM 246 O VAL A 31 -4.176 3.998 2.134 1.00 0.00 O ATOM 247 CB VAL A 31 -2.118 2.109 2.084 1.00 0.00 C ATOM 248 CG1 VAL A 31 -1.647 2.474 3.484 1.00 0.00 C ATOM 249 CG2 VAL A 31 -1.244 1.014 1.489 1.00 0.00 C ATOM 0 H VAL A 31 -4.238 1.829 0.118 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.719 0.869 2.839 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.032 2.995 1.455 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.603 2.784 3.447 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.255 3.292 3.871 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.746 1.608 4.139 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.205 1.343 1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.334 0.110 2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.567 0.805 0.469 1.00 0.00 H new ATOM 259 N PRO A 32 -5.539 2.612 3.271 1.00 0.00 N ATOM 260 CA PRO A 32 -6.450 3.664 3.719 1.00 0.00 C ATOM 261 C PRO A 32 -5.961 4.359 4.987 1.00 0.00 C ATOM 262 O PRO A 32 -5.707 3.710 6.002 1.00 0.00 O ATOM 263 CB PRO A 32 -7.736 2.892 3.997 1.00 0.00 C ATOM 264 CG PRO A 32 -7.272 1.552 4.459 1.00 0.00 C ATOM 265 CD PRO A 32 -5.961 1.283 3.758 1.00 0.00 C ATOM 0 HA PRO A 32 -6.554 4.464 2.986 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.340 3.387 4.757 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.353 2.812 3.102 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.142 1.539 5.541 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.006 0.783 4.217 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.225 0.855 4.438 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.085 0.577 2.937 1.00 0.00 H new ATOM 273 N CYS A 33 -5.838 5.682 4.926 1.00 0.00 N ATOM 274 CA CYS A 33 -5.384 6.459 6.073 1.00 0.00 C ATOM 275 C CYS A 33 -6.555 7.171 6.742 1.00 0.00 C ATOM 276 O CYS A 33 -7.423 7.730 6.069 1.00 0.00 O ATOM 277 CB CYS A 33 -4.324 7.478 5.648 1.00 0.00 C ATOM 278 SG CYS A 33 -3.075 6.819 4.519 1.00 0.00 S ATOM 0 H CYS A 33 -6.046 6.237 4.096 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.940 5.770 6.792 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.819 8.324 5.171 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.827 7.861 6.539 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.897 7.225 4.890 1.00 0.00 H new ATOM 284 N GLY A 34 -6.575 7.141 8.070 1.00 0.00 N ATOM 285 CA GLY A 34 -7.645 7.779 8.816 1.00 0.00 C ATOM 286 C GLY A 34 -7.783 9.257 8.507 1.00 0.00 C ATOM 287 O GLY A 34 -8.898 9.766 8.377 1.00 0.00 O ATOM 0 H GLY A 34 -5.867 6.685 8.645 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.586 7.277 8.592 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.462 7.652 9.883 1.00 0.00 H new ATOM 291 N ASP A 35 -6.656 9.953 8.397 1.00 0.00 N ATOM 292 CA ASP A 35 -6.673 11.384 8.110 1.00 0.00 C ATOM 293 C ASP A 35 -5.764 11.722 6.935 1.00 0.00 C ATOM 294 O ASP A 35 -6.148 12.466 6.033 1.00 0.00 O ATOM 295 CB ASP A 35 -6.235 12.174 9.345 1.00 0.00 C ATOM 296 CG ASP A 35 -7.380 12.421 10.309 1.00 0.00 C ATOM 297 OD1 ASP A 35 -8.085 13.440 10.145 1.00 0.00 O ATOM 298 OD2 ASP A 35 -7.572 11.597 11.227 1.00 0.00 O ATOM 0 H ASP A 35 -5.724 9.553 8.501 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.693 11.660 7.845 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.442 11.630 9.859 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.815 13.130 9.032 1.00 0.00 H new ATOM 303 N GLY A 36 -4.554 11.177 6.957 1.00 0.00 N ATOM 304 CA GLY A 36 -3.603 11.438 5.893 1.00 0.00 C ATOM 305 C GLY A 36 -2.360 12.153 6.389 1.00 0.00 C ATOM 306 O GLY A 36 -1.560 12.643 5.594 1.00 0.00 O ATOM 0 H GLY A 36 -4.214 10.558 7.693 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.315 10.495 5.428 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.082 12.041 5.121 1.00 0.00 H new ATOM 310 N ARG A 37 -2.195 12.211 7.710 1.00 0.00 N ATOM 311 CA ARG A 37 -1.039 12.867 8.308 1.00 0.00 C ATOM 312 C ARG A 37 0.071 11.855 8.580 1.00 0.00 C ATOM 313 O ARG A 37 0.794 11.960 9.571 1.00 0.00 O ATOM 314 CB ARG A 37 -1.441 13.562 9.611 1.00 0.00 C ATOM 315 CG ARG A 37 -1.860 15.011 9.422 1.00 0.00 C ATOM 316 CD ARG A 37 -2.191 15.672 10.751 1.00 0.00 C ATOM 317 NE ARG A 37 -2.193 17.130 10.654 1.00 0.00 N ATOM 318 CZ ARG A 37 -3.204 17.840 10.160 1.00 0.00 C ATOM 319 NH1 ARG A 37 -4.296 17.230 9.715 1.00 0.00 N ATOM 320 NH2 ARG A 37 -3.125 19.162 10.112 1.00 0.00 N ATOM 0 H ARG A 37 -2.848 11.811 8.384 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.667 13.614 7.606 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.263 13.011 10.068 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.604 13.522 10.308 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.058 15.562 8.930 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.728 15.057 8.765 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.168 15.330 11.092 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.465 15.360 11.501 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.370 17.634 10.985 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.362 16.213 9.751 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.068 17.779 9.337 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.289 19.636 10.454 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.900 19.706 9.733 1.00 0.00 H new ATOM 334 N MET A 38 0.198 10.878 7.690 1.00 0.00 N ATOM 335 CA MET A 38 1.213 9.844 7.824 1.00 0.00 C ATOM 336 C MET A 38 2.274 9.988 6.742 1.00 0.00 C ATOM 337 O MET A 38 1.992 9.806 5.558 1.00 0.00 O ATOM 338 CB MET A 38 0.573 8.457 7.727 1.00 0.00 C ATOM 339 CG MET A 38 1.390 7.357 8.379 1.00 0.00 C ATOM 340 SD MET A 38 1.049 5.731 7.677 1.00 0.00 S ATOM 341 CE MET A 38 -0.736 5.787 7.534 1.00 0.00 C ATOM 0 H MET A 38 -0.393 10.781 6.864 1.00 0.00 H new ATOM 0 HA MET A 38 1.685 9.958 8.800 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.412 8.489 8.192 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.422 8.210 6.676 1.00 0.00 H new ATOM 0 HG2 MET A 38 2.451 7.582 8.267 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.180 7.338 9.448 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.126 4.773 7.443 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.157 6.260 8.421 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.012 6.362 6.651 1.00 0.00 H new ATOM 351 N LYS A 39 3.498 10.306 7.152 1.00 0.00 N ATOM 352 CA LYS A 39 4.596 10.458 6.205 1.00 0.00 C ATOM 353 C LYS A 39 4.658 9.254 5.273 1.00 0.00 C ATOM 354 O LYS A 39 4.377 8.128 5.686 1.00 0.00 O ATOM 355 CB LYS A 39 5.924 10.617 6.947 1.00 0.00 C ATOM 356 CG LYS A 39 6.239 12.054 7.331 1.00 0.00 C ATOM 357 CD LYS A 39 7.719 12.237 7.630 1.00 0.00 C ATOM 358 CE LYS A 39 7.944 13.287 8.707 1.00 0.00 C ATOM 359 NZ LYS A 39 7.249 14.564 8.390 1.00 0.00 N ATOM 0 H LYS A 39 3.753 10.462 8.127 1.00 0.00 H new ATOM 0 HA LYS A 39 4.419 11.355 5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.902 10.005 7.849 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.729 10.232 6.321 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.945 12.721 6.521 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.652 12.336 8.205 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.147 11.287 7.951 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.242 12.530 6.720 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.587 12.907 9.664 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.013 13.472 8.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.585 15.311 9.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.452 14.835 7.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.223 14.440 8.511 1.00 0.00 H new ATOM 373 N VAL A 40 5.017 9.490 4.015 1.00 0.00 N ATOM 374 CA VAL A 40 5.102 8.413 3.035 1.00 0.00 C ATOM 375 C VAL A 40 5.850 7.211 3.602 1.00 0.00 C ATOM 376 O VAL A 40 5.418 6.071 3.448 1.00 0.00 O ATOM 377 CB VAL A 40 5.802 8.875 1.742 1.00 0.00 C ATOM 378 CG1 VAL A 40 5.738 7.786 0.681 1.00 0.00 C ATOM 379 CG2 VAL A 40 5.182 10.166 1.228 1.00 0.00 C ATOM 0 H VAL A 40 5.253 10.413 3.651 1.00 0.00 H new ATOM 0 HA VAL A 40 4.078 8.124 2.798 1.00 0.00 H new ATOM 0 HB VAL A 40 6.850 9.069 1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.237 8.131 -0.225 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.235 6.889 1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.696 7.558 0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.690 10.475 0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.125 10.003 1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.286 10.945 1.983 1.00 0.00 H new ATOM 389 N PHE A 41 6.972 7.479 4.267 1.00 0.00 N ATOM 390 CA PHE A 41 7.786 6.423 4.860 1.00 0.00 C ATOM 391 C PHE A 41 6.946 5.484 5.717 1.00 0.00 C ATOM 392 O PHE A 41 7.130 4.264 5.682 1.00 0.00 O ATOM 393 CB PHE A 41 8.907 7.034 5.705 1.00 0.00 C ATOM 394 CG PHE A 41 10.018 6.070 6.015 1.00 0.00 C ATOM 395 CD1 PHE A 41 10.540 5.253 5.025 1.00 0.00 C ATOM 396 CD2 PHE A 41 10.538 5.982 7.296 1.00 0.00 C ATOM 397 CE1 PHE A 41 11.561 4.366 5.307 1.00 0.00 C ATOM 398 CE2 PHE A 41 11.558 5.096 7.585 1.00 0.00 C ATOM 399 CZ PHE A 41 12.071 4.287 6.589 1.00 0.00 C ATOM 0 H PHE A 41 7.338 8.421 4.408 1.00 0.00 H new ATOM 0 HA PHE A 41 8.219 5.841 4.046 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.320 7.895 5.179 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.486 7.404 6.640 1.00 0.00 H new ATOM 0 HD1 PHE A 41 10.144 5.310 4.022 1.00 0.00 H new ATOM 0 HD2 PHE A 41 10.142 6.613 8.078 1.00 0.00 H new ATOM 0 HE1 PHE A 41 11.960 3.735 4.527 1.00 0.00 H new ATOM 0 HE2 PHE A 41 11.954 5.036 8.588 1.00 0.00 H new ATOM 0 HZ PHE A 41 12.869 3.594 6.812 1.00 0.00 H new ATOM 409 N SER A 42 6.018 6.047 6.484 1.00 0.00 N ATOM 410 CA SER A 42 5.157 5.244 7.337 1.00 0.00 C ATOM 411 C SER A 42 4.147 4.479 6.494 1.00 0.00 C ATOM 412 O SER A 42 3.784 3.345 6.812 1.00 0.00 O ATOM 413 CB SER A 42 4.440 6.131 8.354 1.00 0.00 C ATOM 414 OG SER A 42 5.233 6.318 9.515 1.00 0.00 O ATOM 0 H SER A 42 5.845 7.051 6.531 1.00 0.00 H new ATOM 0 HA SER A 42 5.773 4.526 7.878 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.215 7.098 7.904 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.488 5.678 8.629 1.00 0.00 H new ATOM 0 HG SER A 42 4.754 6.890 10.150 1.00 0.00 H new ATOM 420 N LEU A 43 3.710 5.102 5.403 1.00 0.00 N ATOM 421 CA LEU A 43 2.756 4.473 4.501 1.00 0.00 C ATOM 422 C LEU A 43 3.397 3.278 3.810 1.00 0.00 C ATOM 423 O LEU A 43 2.742 2.266 3.561 1.00 0.00 O ATOM 424 CB LEU A 43 2.261 5.480 3.462 1.00 0.00 C ATOM 425 CG LEU A 43 1.074 5.007 2.619 1.00 0.00 C ATOM 426 CD1 LEU A 43 -0.227 5.578 3.159 1.00 0.00 C ATOM 427 CD2 LEU A 43 1.264 5.400 1.160 1.00 0.00 C ATOM 0 H LEU A 43 4.002 6.039 5.125 1.00 0.00 H new ATOM 0 HA LEU A 43 1.902 4.127 5.084 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.980 6.400 3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.087 5.726 2.794 1.00 0.00 H new ATOM 0 HG LEU A 43 1.023 3.920 2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.059 5.230 2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.370 5.247 4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.186 6.667 3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.410 5.055 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.343 6.484 1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.175 4.942 0.775 1.00 0.00 H new ATOM 439 N ILE A 44 4.688 3.398 3.511 1.00 0.00 N ATOM 440 CA ILE A 44 5.417 2.322 2.860 1.00 0.00 C ATOM 441 C ILE A 44 5.516 1.112 3.778 1.00 0.00 C ATOM 442 O ILE A 44 5.184 -0.005 3.383 1.00 0.00 O ATOM 443 CB ILE A 44 6.835 2.760 2.450 1.00 0.00 C ATOM 444 CG1 ILE A 44 6.771 4.067 1.656 1.00 0.00 C ATOM 445 CG2 ILE A 44 7.510 1.661 1.642 1.00 0.00 C ATOM 446 CD1 ILE A 44 8.024 4.364 0.856 1.00 0.00 C ATOM 0 H ILE A 44 5.246 4.228 3.710 1.00 0.00 H new ATOM 0 HA ILE A 44 4.861 2.059 1.960 1.00 0.00 H new ATOM 0 HB ILE A 44 7.429 2.935 3.347 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.920 4.026 0.977 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.589 4.891 2.346 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.512 1.982 1.357 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.576 0.755 2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.926 1.458 0.745 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.900 5.306 0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.877 4.439 1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 44 8.197 3.561 0.140 1.00 0.00 H new ATOM 458 N GLN A 45 5.970 1.341 5.006 1.00 0.00 N ATOM 459 CA GLN A 45 6.102 0.265 5.982 1.00 0.00 C ATOM 460 C GLN A 45 4.770 -0.453 6.168 1.00 0.00 C ATOM 461 O GLN A 45 4.730 -1.671 6.341 1.00 0.00 O ATOM 462 CB GLN A 45 6.594 0.817 7.323 1.00 0.00 C ATOM 463 CG GLN A 45 8.094 0.670 7.527 1.00 0.00 C ATOM 464 CD GLN A 45 8.635 1.621 8.576 1.00 0.00 C ATOM 465 OE1 GLN A 45 9.161 1.195 9.604 1.00 0.00 O ATOM 466 NE2 GLN A 45 8.507 2.917 8.322 1.00 0.00 N ATOM 0 H GLN A 45 6.252 2.259 5.348 1.00 0.00 H new ATOM 0 HA GLN A 45 6.835 -0.450 5.607 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.328 1.872 7.392 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.074 0.303 8.131 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.318 -0.355 7.821 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.605 0.849 6.581 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.064 3.226 7.457 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.852 3.604 8.992 1.00 0.00 H new ATOM 475 N GLN A 46 3.683 0.309 6.122 1.00 0.00 N ATOM 476 CA GLN A 46 2.348 -0.255 6.276 1.00 0.00 C ATOM 477 C GLN A 46 2.004 -1.150 5.089 1.00 0.00 C ATOM 478 O GLN A 46 1.444 -2.233 5.255 1.00 0.00 O ATOM 479 CB GLN A 46 1.310 0.861 6.406 1.00 0.00 C ATOM 480 CG GLN A 46 1.508 1.734 7.634 1.00 0.00 C ATOM 481 CD GLN A 46 0.781 1.200 8.853 1.00 0.00 C ATOM 482 OE1 GLN A 46 -0.398 1.486 9.060 1.00 0.00 O ATOM 483 NE2 GLN A 46 1.484 0.422 9.667 1.00 0.00 N ATOM 0 H GLN A 46 3.700 1.319 5.979 1.00 0.00 H new ATOM 0 HA GLN A 46 2.334 -0.858 7.184 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.348 1.487 5.515 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.315 0.418 6.442 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.573 1.808 7.854 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.156 2.743 7.419 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.459 0.212 9.455 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.049 0.035 10.504 1.00 0.00 H new ATOM 492 N ALA A 47 2.349 -0.689 3.890 1.00 0.00 N ATOM 493 CA ALA A 47 2.082 -1.445 2.673 1.00 0.00 C ATOM 494 C ALA A 47 2.960 -2.690 2.600 1.00 0.00 C ATOM 495 O ALA A 47 2.499 -3.767 2.220 1.00 0.00 O ATOM 496 CB ALA A 47 2.299 -0.568 1.449 1.00 0.00 C ATOM 0 H ALA A 47 2.814 0.206 3.736 1.00 0.00 H new ATOM 0 HA ALA A 47 1.041 -1.767 2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.096 -1.145 0.547 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.626 0.288 1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.331 -0.218 1.431 1.00 0.00 H new ATOM 502 N VAL A 48 4.229 -2.537 2.970 1.00 0.00 N ATOM 503 CA VAL A 48 5.171 -3.650 2.953 1.00 0.00 C ATOM 504 C VAL A 48 4.656 -4.805 3.802 1.00 0.00 C ATOM 505 O VAL A 48 4.567 -5.942 3.338 1.00 0.00 O ATOM 506 CB VAL A 48 6.560 -3.217 3.466 1.00 0.00 C ATOM 507 CG1 VAL A 48 7.542 -4.379 3.413 1.00 0.00 C ATOM 508 CG2 VAL A 48 7.080 -2.037 2.660 1.00 0.00 C ATOM 0 H VAL A 48 4.628 -1.653 3.285 1.00 0.00 H new ATOM 0 HA VAL A 48 5.267 -3.978 1.918 1.00 0.00 H new ATOM 0 HB VAL A 48 6.460 -2.906 4.506 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.515 -4.050 3.779 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.175 -5.194 4.037 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.640 -4.726 2.384 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.061 -1.744 3.035 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.163 -2.321 1.611 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.390 -1.199 2.756 1.00 0.00 H new ATOM 518 N THR A 49 4.312 -4.502 5.048 1.00 0.00 N ATOM 519 CA THR A 49 3.795 -5.513 5.964 1.00 0.00 C ATOM 520 C THR A 49 2.538 -6.161 5.390 1.00 0.00 C ATOM 521 O THR A 49 2.380 -7.382 5.430 1.00 0.00 O ATOM 522 CB THR A 49 3.488 -4.888 7.326 1.00 0.00 C ATOM 523 OG1 THR A 49 4.645 -4.278 7.869 1.00 0.00 O ATOM 524 CG2 THR A 49 2.975 -5.888 8.341 1.00 0.00 C ATOM 0 H THR A 49 4.381 -3.566 5.447 1.00 0.00 H new ATOM 0 HA THR A 49 4.556 -6.282 6.093 1.00 0.00 H new ATOM 0 HB THR A 49 2.706 -4.153 7.138 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.785 -3.406 7.444 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.777 -5.380 9.285 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.054 -6.341 7.973 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.724 -6.664 8.497 1.00 0.00 H new ATOM 532 N ARG A 50 1.647 -5.332 4.852 1.00 0.00 N ATOM 533 CA ARG A 50 0.408 -5.822 4.263 1.00 0.00 C ATOM 534 C ARG A 50 0.699 -6.725 3.069 1.00 0.00 C ATOM 535 O ARG A 50 0.011 -7.722 2.849 1.00 0.00 O ATOM 536 CB ARG A 50 -0.475 -4.649 3.828 1.00 0.00 C ATOM 537 CG ARG A 50 -1.941 -5.018 3.673 1.00 0.00 C ATOM 538 CD ARG A 50 -2.801 -3.792 3.411 1.00 0.00 C ATOM 539 NE ARG A 50 -3.431 -3.295 4.634 1.00 0.00 N ATOM 540 CZ ARG A 50 -4.740 -3.080 4.770 1.00 0.00 C ATOM 541 NH1 ARG A 50 -5.574 -3.309 3.762 1.00 0.00 N ATOM 542 NH2 ARG A 50 -5.217 -2.630 5.922 1.00 0.00 N ATOM 0 H ARG A 50 1.761 -4.319 4.813 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.121 -6.403 5.018 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.386 -3.847 4.560 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.105 -4.258 2.880 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.054 -5.725 2.851 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.288 -5.521 4.576 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.187 -3.005 2.973 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.571 -4.039 2.680 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.830 -3.100 5.435 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.215 -3.653 2.871 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.573 -3.141 3.879 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.583 -2.449 6.701 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.218 -2.464 6.030 1.00 0.00 H new ATOM 556 N TYR A 51 1.728 -6.373 2.306 1.00 0.00 N ATOM 557 CA TYR A 51 2.117 -7.155 1.137 1.00 0.00 C ATOM 558 C TYR A 51 2.439 -8.591 1.537 1.00 0.00 C ATOM 559 O TYR A 51 1.897 -9.541 0.975 1.00 0.00 O ATOM 560 CB TYR A 51 3.325 -6.510 0.446 1.00 0.00 C ATOM 561 CG TYR A 51 3.976 -7.390 -0.599 1.00 0.00 C ATOM 562 CD1 TYR A 51 3.248 -7.877 -1.679 1.00 0.00 C ATOM 563 CD2 TYR A 51 5.318 -7.737 -0.504 1.00 0.00 C ATOM 564 CE1 TYR A 51 3.841 -8.681 -2.633 1.00 0.00 C ATOM 565 CE2 TYR A 51 5.918 -8.541 -1.455 1.00 0.00 C ATOM 566 CZ TYR A 51 5.174 -9.011 -2.518 1.00 0.00 C ATOM 567 OH TYR A 51 5.767 -9.812 -3.466 1.00 0.00 O ATOM 0 H TYR A 51 2.308 -5.551 2.476 1.00 0.00 H new ATOM 0 HA TYR A 51 1.281 -7.172 0.437 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.008 -5.579 -0.024 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.067 -6.250 1.201 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.203 -7.623 -1.773 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.903 -7.372 0.328 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.262 -9.050 -3.466 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.963 -8.800 -1.367 1.00 0.00 H new ATOM 0 HH TYR A 51 6.734 -9.843 -3.309 1.00 0.00 H new ATOM 577 N ARG A 52 3.326 -8.739 2.518 1.00 0.00 N ATOM 578 CA ARG A 52 3.719 -10.058 3.000 1.00 0.00 C ATOM 579 C ARG A 52 2.498 -10.866 3.428 1.00 0.00 C ATOM 580 O ARG A 52 2.335 -12.020 3.034 1.00 0.00 O ATOM 581 CB ARG A 52 4.697 -9.924 4.171 1.00 0.00 C ATOM 582 CG ARG A 52 6.075 -10.497 3.882 1.00 0.00 C ATOM 583 CD ARG A 52 7.040 -10.230 5.025 1.00 0.00 C ATOM 584 NE ARG A 52 7.230 -8.800 5.260 1.00 0.00 N ATOM 585 CZ ARG A 52 7.865 -8.301 6.317 1.00 0.00 C ATOM 586 NH1 ARG A 52 8.374 -9.110 7.238 1.00 0.00 N ATOM 587 NH2 ARG A 52 7.994 -6.987 6.455 1.00 0.00 N ATOM 0 H ARG A 52 3.785 -7.962 2.993 1.00 0.00 H new ATOM 0 HA ARG A 52 4.212 -10.586 2.184 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.798 -8.870 4.430 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.279 -10.428 5.042 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.996 -11.571 3.715 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.467 -10.059 2.964 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.664 -10.700 5.934 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.002 -10.692 4.802 1.00 0.00 H new ATOM 0 HE ARG A 52 6.854 -8.146 4.573 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.279 -10.121 7.138 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.860 -8.721 8.046 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.606 -6.360 5.750 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.481 -6.605 7.266 1.00 0.00 H new ATOM 601 N LYS A 53 1.640 -10.251 4.236 1.00 0.00 N ATOM 602 CA LYS A 53 0.435 -10.914 4.715 1.00 0.00 C ATOM 603 C LYS A 53 -0.577 -11.098 3.588 1.00 0.00 C ATOM 604 O LYS A 53 -1.427 -11.989 3.643 1.00 0.00 O ATOM 605 CB LYS A 53 -0.197 -10.110 5.855 1.00 0.00 C ATOM 606 CG LYS A 53 0.587 -10.178 7.156 1.00 0.00 C ATOM 607 CD LYS A 53 0.806 -11.616 7.603 1.00 0.00 C ATOM 608 CE LYS A 53 2.251 -12.048 7.412 1.00 0.00 C ATOM 609 NZ LYS A 53 2.393 -13.530 7.414 1.00 0.00 N ATOM 0 H LYS A 53 1.758 -9.295 4.572 1.00 0.00 H new ATOM 0 HA LYS A 53 0.720 -11.899 5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.285 -9.068 5.548 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.208 -10.477 6.030 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.551 -9.686 7.027 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.052 -9.632 7.933 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.531 -11.717 8.653 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.150 -12.277 7.037 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.628 -11.649 6.470 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.865 -11.624 8.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.820 -13.837 8.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.456 -13.969 7.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.002 -13.821 6.623 1.00 0.00 H new ATOM 623 N ALA A 54 -0.488 -10.251 2.566 1.00 0.00 N ATOM 624 CA ALA A 54 -1.399 -10.324 1.430 1.00 0.00 C ATOM 625 C ALA A 54 -1.071 -11.513 0.533 1.00 0.00 C ATOM 626 O ALA A 54 -1.968 -12.206 0.051 1.00 0.00 O ATOM 627 CB ALA A 54 -1.350 -9.031 0.632 1.00 0.00 C ATOM 0 H ALA A 54 0.206 -9.506 2.502 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.408 -10.464 1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.035 -9.099 -0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.643 -8.198 1.271 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.336 -8.868 0.266 1.00 0.00 H new ATOM 633 N VAL A 55 0.218 -11.743 0.308 1.00 0.00 N ATOM 634 CA VAL A 55 0.661 -12.849 -0.535 1.00 0.00 C ATOM 635 C VAL A 55 0.952 -14.105 0.288 1.00 0.00 C ATOM 636 O VAL A 55 1.501 -15.080 -0.226 1.00 0.00 O ATOM 637 CB VAL A 55 1.915 -12.467 -1.346 1.00 0.00 C ATOM 638 CG1 VAL A 55 3.094 -12.202 -0.421 1.00 0.00 C ATOM 639 CG2 VAL A 55 2.253 -13.554 -2.354 1.00 0.00 C ATOM 0 H VAL A 55 0.974 -11.179 0.697 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.156 -13.064 -1.223 1.00 0.00 H new ATOM 0 HB VAL A 55 1.701 -11.549 -1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.969 -11.934 -1.014 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.849 -11.383 0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.310 -13.099 0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.141 -13.265 -2.916 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.444 -14.490 -1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.416 -13.687 -3.040 1.00 0.00 H new ATOM 649 N ALA A 56 0.581 -14.080 1.566 1.00 0.00 N ATOM 650 CA ALA A 56 0.800 -15.219 2.450 1.00 0.00 C ATOM 651 C ALA A 56 2.288 -15.518 2.618 1.00 0.00 C ATOM 652 O ALA A 56 2.692 -16.677 2.693 1.00 0.00 O ATOM 653 CB ALA A 56 0.072 -16.445 1.921 1.00 0.00 C ATOM 0 H ALA A 56 0.127 -13.282 2.011 1.00 0.00 H new ATOM 0 HA ALA A 56 0.399 -14.962 3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.244 -17.288 2.591 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.997 -16.238 1.866 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.446 -16.689 0.927 1.00 0.00 H new ATOM 659 N LYS A 57 3.097 -14.465 2.682 1.00 0.00 N ATOM 660 CA LYS A 57 4.538 -14.620 2.848 1.00 0.00 C ATOM 661 C LYS A 57 4.933 -14.480 4.316 1.00 0.00 C ATOM 662 O LYS A 57 4.075 -14.366 5.191 1.00 0.00 O ATOM 663 CB LYS A 57 5.288 -13.588 2.007 1.00 0.00 C ATOM 664 CG LYS A 57 5.715 -14.116 0.649 1.00 0.00 C ATOM 665 CD LYS A 57 6.159 -12.990 -0.264 1.00 0.00 C ATOM 666 CE LYS A 57 6.011 -13.369 -1.729 1.00 0.00 C ATOM 667 NZ LYS A 57 6.513 -12.298 -2.634 1.00 0.00 N ATOM 0 H LYS A 57 2.780 -13.497 2.622 1.00 0.00 H new ATOM 0 HA LYS A 57 4.811 -15.619 2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.653 -12.714 1.866 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.170 -13.256 2.554 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.530 -14.829 0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.887 -14.655 0.189 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.568 -12.098 -0.057 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.199 -12.740 -0.055 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.557 -14.292 -1.922 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.962 -13.567 -1.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.505 -12.641 -3.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.901 -11.461 -2.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.485 -12.043 -2.365 1.00 0.00 H new ATOM 681 N ASP A 58 6.235 -14.487 4.576 1.00 0.00 N ATOM 682 CA ASP A 58 6.742 -14.358 5.938 1.00 0.00 C ATOM 683 C ASP A 58 8.045 -13.565 5.963 1.00 0.00 C ATOM 684 O ASP A 58 8.607 -13.246 4.916 1.00 0.00 O ATOM 685 CB ASP A 58 6.957 -15.741 6.555 1.00 0.00 C ATOM 686 CG ASP A 58 5.776 -16.196 7.391 1.00 0.00 C ATOM 687 OD1 ASP A 58 4.945 -15.339 7.760 1.00 0.00 O ATOM 688 OD2 ASP A 58 5.680 -17.408 7.676 1.00 0.00 O ATOM 0 H ASP A 58 6.959 -14.580 3.863 1.00 0.00 H new ATOM 0 HA ASP A 58 6.001 -13.817 6.526 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.136 -16.466 5.761 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.852 -15.722 7.177 1.00 0.00 H new ATOM 693 N PRO A 59 8.543 -13.231 7.167 1.00 0.00 N ATOM 694 CA PRO A 59 9.787 -12.467 7.330 1.00 0.00 C ATOM 695 C PRO A 59 11.012 -13.209 6.796 1.00 0.00 C ATOM 696 O PRO A 59 12.094 -12.632 6.685 1.00 0.00 O ATOM 697 CB PRO A 59 9.903 -12.276 8.848 1.00 0.00 C ATOM 698 CG PRO A 59 8.539 -12.550 9.385 1.00 0.00 C ATOM 699 CD PRO A 59 7.933 -13.565 8.463 1.00 0.00 C ATOM 0 HA PRO A 59 9.755 -11.533 6.769 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.638 -12.958 9.275 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.226 -11.264 9.093 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.590 -12.930 10.405 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.940 -11.640 9.413 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.169 -14.584 8.771 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.846 -13.485 8.431 1.00 0.00 H new ATOM 707 N ASN A 60 10.841 -14.491 6.473 1.00 0.00 N ATOM 708 CA ASN A 60 11.939 -15.307 5.957 1.00 0.00 C ATOM 709 C ASN A 60 12.717 -14.572 4.868 1.00 0.00 C ATOM 710 O ASN A 60 13.920 -14.349 4.994 1.00 0.00 O ATOM 711 CB ASN A 60 11.401 -16.632 5.411 1.00 0.00 C ATOM 712 CG ASN A 60 11.991 -17.833 6.125 1.00 0.00 C ATOM 713 OD1 ASN A 60 13.159 -18.172 5.933 1.00 0.00 O ATOM 714 ND2 ASN A 60 11.183 -18.485 6.954 1.00 0.00 N ATOM 0 H ASN A 60 9.953 -14.986 6.560 1.00 0.00 H new ATOM 0 HA ASN A 60 12.622 -15.507 6.783 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.316 -16.650 5.512 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.623 -16.700 4.346 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.524 -19.301 7.461 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.222 -18.169 7.083 1.00 0.00 H new ATOM 721 N TYR A 61 12.020 -14.199 3.803 1.00 0.00 N ATOM 722 CA TYR A 61 12.646 -13.489 2.693 1.00 0.00 C ATOM 723 C TYR A 61 12.815 -12.008 3.022 1.00 0.00 C ATOM 724 O TYR A 61 11.941 -11.398 3.639 1.00 0.00 O ATOM 725 CB TYR A 61 11.820 -13.668 1.412 1.00 0.00 C ATOM 726 CG TYR A 61 10.648 -12.718 1.283 1.00 0.00 C ATOM 727 CD1 TYR A 61 9.567 -12.792 2.153 1.00 0.00 C ATOM 728 CD2 TYR A 61 10.622 -11.748 0.287 1.00 0.00 C ATOM 729 CE1 TYR A 61 8.496 -11.927 2.034 1.00 0.00 C ATOM 730 CE2 TYR A 61 9.554 -10.881 0.162 1.00 0.00 C ATOM 731 CZ TYR A 61 8.495 -10.975 1.040 1.00 0.00 C ATOM 732 OH TYR A 61 7.428 -10.113 0.917 1.00 0.00 O ATOM 0 H TYR A 61 11.023 -14.375 3.683 1.00 0.00 H new ATOM 0 HA TYR A 61 13.637 -13.913 2.529 1.00 0.00 H new ATOM 0 HB2 TYR A 61 12.475 -13.536 0.551 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.447 -14.692 1.375 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.564 -13.537 2.935 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.451 -11.671 -0.401 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.663 -11.998 2.718 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.548 -10.134 -0.618 1.00 0.00 H new ATOM 0 HH TYR A 61 7.241 -9.957 -0.032 1.00 0.00 H new ATOM 742 N TRP A 62 13.940 -11.433 2.607 1.00 0.00 N ATOM 743 CA TRP A 62 14.213 -10.024 2.861 1.00 0.00 C ATOM 744 C TRP A 62 13.413 -9.143 1.911 1.00 0.00 C ATOM 745 O TRP A 62 13.031 -9.579 0.824 1.00 0.00 O ATOM 746 CB TRP A 62 15.714 -9.732 2.719 1.00 0.00 C ATOM 747 CG TRP A 62 16.110 -9.244 1.355 1.00 0.00 C ATOM 748 CD1 TRP A 62 15.882 -9.870 0.165 1.00 0.00 C ATOM 749 CD2 TRP A 62 16.790 -8.023 1.041 1.00 0.00 C ATOM 750 NE1 TRP A 62 16.393 -9.124 -0.867 1.00 0.00 N ATOM 751 CE2 TRP A 62 16.953 -7.984 -0.358 1.00 0.00 C ATOM 752 CE3 TRP A 62 17.280 -6.961 1.805 1.00 0.00 C ATOM 753 CZ2 TRP A 62 17.585 -6.927 -1.006 1.00 0.00 C ATOM 754 CZ3 TRP A 62 17.906 -5.911 1.159 1.00 0.00 C ATOM 755 CH2 TRP A 62 18.054 -5.900 -0.234 1.00 0.00 C ATOM 0 H TRP A 62 14.675 -11.920 2.095 1.00 0.00 H new ATOM 0 HA TRP A 62 13.909 -9.797 3.883 1.00 0.00 H new ATOM 0 HB2 TRP A 62 16.001 -8.985 3.459 1.00 0.00 H new ATOM 0 HB3 TRP A 62 16.274 -10.639 2.947 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.373 -10.816 0.051 1.00 0.00 H new ATOM 0 HE1 TRP A 62 16.361 -9.378 -1.854 1.00 0.00 H new ATOM 0 HE3 TRP A 62 17.172 -6.960 2.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.701 -6.918 -2.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 18.288 -5.084 1.739 1.00 0.00 H new ATOM 0 HH2 TRP A 62 18.548 -5.064 -0.707 1.00 0.00 H new ATOM 766 N ILE A 63 13.178 -7.900 2.325 1.00 0.00 N ATOM 767 CA ILE A 63 12.436 -6.949 1.509 1.00 0.00 C ATOM 768 C ILE A 63 13.024 -5.548 1.629 1.00 0.00 C ATOM 769 O ILE A 63 12.929 -4.909 2.678 1.00 0.00 O ATOM 770 CB ILE A 63 10.947 -6.903 1.906 1.00 0.00 C ATOM 771 CG1 ILE A 63 10.344 -8.306 1.864 1.00 0.00 C ATOM 772 CG2 ILE A 63 10.175 -5.965 0.986 1.00 0.00 C ATOM 773 CD1 ILE A 63 8.978 -8.395 2.509 1.00 0.00 C ATOM 0 H ILE A 63 13.492 -7.530 3.222 1.00 0.00 H new ATOM 0 HA ILE A 63 12.517 -7.290 0.477 1.00 0.00 H new ATOM 0 HB ILE A 63 10.873 -6.522 2.924 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.269 -8.630 0.826 1.00 0.00 H new ATOM 0 HG13 ILE A 63 11.020 -8.999 2.366 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.126 -5.946 1.282 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.591 -4.960 1.059 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.255 -6.317 -0.043 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.610 -9.419 2.443 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.050 -8.102 3.556 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.288 -7.728 1.993 1.00 0.00 H new ATOM 785 N GLN A 64 13.624 -5.072 0.545 1.00 0.00 N ATOM 786 CA GLN A 64 14.220 -3.741 0.522 1.00 0.00 C ATOM 787 C GLN A 64 13.330 -2.770 -0.247 1.00 0.00 C ATOM 788 O GLN A 64 13.265 -2.814 -1.475 1.00 0.00 O ATOM 789 CB GLN A 64 15.611 -3.790 -0.113 1.00 0.00 C ATOM 790 CG GLN A 64 16.694 -3.163 0.748 1.00 0.00 C ATOM 791 CD GLN A 64 16.706 -1.649 0.659 1.00 0.00 C ATOM 792 OE1 GLN A 64 17.603 -1.057 0.060 1.00 0.00 O ATOM 793 NE2 GLN A 64 15.704 -1.013 1.258 1.00 0.00 N ATOM 0 H GLN A 64 13.711 -5.588 -0.331 1.00 0.00 H new ATOM 0 HA GLN A 64 14.314 -3.391 1.550 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.874 -4.829 -0.313 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.581 -3.278 -1.075 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.546 -3.461 1.786 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.666 -3.549 0.441 1.00 0.00 H new ATOM 0 HE21 GLN A 64 14.981 -1.544 1.744 1.00 0.00 H new ATOM 0 HE22 GLN A 64 15.658 0.006 1.232 1.00 0.00 H new ATOM 802 N VAL A 65 12.644 -1.897 0.481 1.00 0.00 N ATOM 803 CA VAL A 65 11.756 -0.922 -0.139 1.00 0.00 C ATOM 804 C VAL A 65 12.531 0.295 -0.631 1.00 0.00 C ATOM 805 O VAL A 65 12.872 1.184 0.149 1.00 0.00 O ATOM 806 CB VAL A 65 10.651 -0.457 0.829 1.00 0.00 C ATOM 807 CG1 VAL A 65 9.511 0.193 0.057 1.00 0.00 C ATOM 808 CG2 VAL A 65 10.136 -1.621 1.666 1.00 0.00 C ATOM 0 H VAL A 65 12.686 -1.844 1.499 1.00 0.00 H new ATOM 0 HA VAL A 65 11.291 -1.423 -0.988 1.00 0.00 H new ATOM 0 HB VAL A 65 11.079 0.282 1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.738 0.517 0.754 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.889 1.056 -0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.089 -0.527 -0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.357 -1.267 2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.726 -2.388 1.009 1.00 0.00 H new ATOM 0 HG23 VAL A 65 10.956 -2.042 2.247 1.00 0.00 H new ATOM 818 N HIS A 66 12.808 0.328 -1.931 1.00 0.00 N ATOM 819 CA HIS A 66 13.543 1.436 -2.529 1.00 0.00 C ATOM 820 C HIS A 66 12.763 2.742 -2.406 1.00 0.00 C ATOM 821 O HIS A 66 13.139 3.633 -1.645 1.00 0.00 O ATOM 822 CB HIS A 66 13.843 1.142 -4.001 1.00 0.00 C ATOM 823 CG HIS A 66 14.599 -0.133 -4.214 1.00 0.00 C ATOM 824 ND1 HIS A 66 15.898 -0.319 -3.787 1.00 0.00 N ATOM 825 CD2 HIS A 66 14.230 -1.292 -4.810 1.00 0.00 C ATOM 826 CE1 HIS A 66 16.295 -1.537 -4.113 1.00 0.00 C ATOM 827 NE2 HIS A 66 15.303 -2.146 -4.734 1.00 0.00 N ATOM 0 H HIS A 66 12.534 -0.401 -2.590 1.00 0.00 H new ATOM 0 HA HIS A 66 14.483 1.547 -1.989 1.00 0.00 H new ATOM 0 HB2 HIS A 66 12.904 1.095 -4.552 1.00 0.00 H new ATOM 0 HB3 HIS A 66 14.417 1.969 -4.419 1.00 0.00 H new ATOM 0 HD2 HIS A 66 13.272 -1.505 -5.260 1.00 0.00 H new ATOM 0 HE1 HIS A 66 17.266 -1.961 -3.906 1.00 0.00 H new ATOM 0 HE2 HIS A 66 15.329 -3.098 -5.099 1.00 0.00 H new ATOM 836 N ARG A 67 11.676 2.845 -3.161 1.00 0.00 N ATOM 837 CA ARG A 67 10.838 4.040 -3.143 1.00 0.00 C ATOM 838 C ARG A 67 9.522 3.788 -3.871 1.00 0.00 C ATOM 839 O ARG A 67 9.229 2.660 -4.265 1.00 0.00 O ATOM 840 CB ARG A 67 11.576 5.215 -3.790 1.00 0.00 C ATOM 841 CG ARG A 67 11.859 5.013 -5.270 1.00 0.00 C ATOM 842 CD ARG A 67 12.853 6.037 -5.794 1.00 0.00 C ATOM 843 NE ARG A 67 13.862 5.426 -6.658 1.00 0.00 N ATOM 844 CZ ARG A 67 14.585 6.102 -7.549 1.00 0.00 C ATOM 845 NH1 ARG A 67 14.416 7.411 -7.697 1.00 0.00 N ATOM 846 NH2 ARG A 67 15.480 5.468 -8.293 1.00 0.00 N ATOM 0 H ARG A 67 11.353 2.114 -3.795 1.00 0.00 H new ATOM 0 HA ARG A 67 10.618 4.286 -2.104 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.983 6.121 -3.662 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.519 5.374 -3.266 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.250 4.009 -5.433 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.928 5.087 -5.833 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.320 6.809 -6.349 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.344 6.529 -4.954 1.00 0.00 H new ATOM 0 HE ARG A 67 14.022 4.422 -6.573 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.729 7.904 -7.126 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.973 7.923 -8.381 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.615 4.463 -8.183 1.00 0.00 H new ATOM 0 HH22 ARG A 67 16.034 5.985 -8.976 1.00 0.00 H new ATOM 860 N LEU A 68 8.731 4.843 -4.049 1.00 0.00 N ATOM 861 CA LEU A 68 7.449 4.724 -4.734 1.00 0.00 C ATOM 862 C LEU A 68 7.302 5.803 -5.800 1.00 0.00 C ATOM 863 O LEU A 68 7.977 6.830 -5.753 1.00 0.00 O ATOM 864 CB LEU A 68 6.291 4.813 -3.733 1.00 0.00 C ATOM 865 CG LEU A 68 6.635 4.410 -2.296 1.00 0.00 C ATOM 866 CD1 LEU A 68 5.573 4.917 -1.331 1.00 0.00 C ATOM 867 CD2 LEU A 68 6.783 2.900 -2.189 1.00 0.00 C ATOM 0 H LEU A 68 8.955 5.786 -3.730 1.00 0.00 H new ATOM 0 HA LEU A 68 7.418 3.749 -5.220 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.917 5.837 -3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.478 4.179 -4.086 1.00 0.00 H new ATOM 0 HG LEU A 68 7.587 4.867 -2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.834 4.621 -0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.517 6.004 -1.390 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.606 4.489 -1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.027 2.630 -1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.847 2.421 -2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.581 2.565 -2.852 1.00 0.00 H new ATOM 879 N GLU A 69 6.419 5.561 -6.765 1.00 0.00 N ATOM 880 CA GLU A 69 6.186 6.513 -7.844 1.00 0.00 C ATOM 881 C GLU A 69 4.709 6.550 -8.230 1.00 0.00 C ATOM 882 O GLU A 69 4.041 5.518 -8.261 1.00 0.00 O ATOM 883 CB GLU A 69 7.035 6.147 -9.064 1.00 0.00 C ATOM 884 CG GLU A 69 6.827 7.073 -10.253 1.00 0.00 C ATOM 885 CD GLU A 69 8.066 7.880 -10.588 1.00 0.00 C ATOM 886 OE1 GLU A 69 9.175 7.306 -10.558 1.00 0.00 O ATOM 887 OE2 GLU A 69 7.928 9.086 -10.882 1.00 0.00 O ATOM 0 H GLU A 69 5.854 4.714 -6.821 1.00 0.00 H new ATOM 0 HA GLU A 69 6.474 7.503 -7.491 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.088 6.164 -8.781 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.802 5.126 -9.365 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.537 6.483 -11.122 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.002 7.753 -10.039 1.00 0.00 H new ATOM 894 N HIS A 70 4.210 7.746 -8.521 1.00 0.00 N ATOM 895 CA HIS A 70 2.813 7.917 -8.905 1.00 0.00 C ATOM 896 C HIS A 70 2.503 7.149 -10.186 1.00 0.00 C ATOM 897 O HIS A 70 1.485 6.464 -10.279 1.00 0.00 O ATOM 898 CB HIS A 70 2.493 9.401 -9.098 1.00 0.00 C ATOM 899 CG HIS A 70 2.031 10.081 -7.848 1.00 0.00 C ATOM 900 ND1 HIS A 70 0.848 9.767 -7.213 1.00 0.00 N ATOM 901 CD2 HIS A 70 2.601 11.065 -7.113 1.00 0.00 C ATOM 902 CE1 HIS A 70 0.709 10.528 -6.142 1.00 0.00 C ATOM 903 NE2 HIS A 70 1.760 11.325 -6.059 1.00 0.00 N ATOM 0 H HIS A 70 4.751 8.611 -8.499 1.00 0.00 H new ATOM 0 HA HIS A 70 2.191 7.519 -8.103 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.381 9.910 -9.472 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.723 9.502 -9.863 1.00 0.00 H new ATOM 0 HD1 HIS A 70 0.184 9.058 -7.522 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.542 11.554 -7.318 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.122 10.503 -5.452 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.920 12.020 -5.330 1.00 0.00 H new ATOM 912 N GLY A 71 3.389 7.267 -11.168 1.00 0.00 N ATOM 913 CA GLY A 71 3.193 6.579 -12.430 1.00 0.00 C ATOM 914 C GLY A 71 4.172 7.031 -13.496 1.00 0.00 C ATOM 915 O GLY A 71 5.233 6.431 -13.668 1.00 0.00 O ATOM 0 H GLY A 71 4.240 7.827 -11.113 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.300 5.505 -12.275 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.175 6.751 -12.780 1.00 0.00 H new ATOM 919 N ASP A 72 3.815 8.090 -14.214 1.00 0.00 N ATOM 920 CA ASP A 72 4.667 8.623 -15.268 1.00 0.00 C ATOM 921 C ASP A 72 5.046 10.074 -14.982 1.00 0.00 C ATOM 922 O ASP A 72 5.193 10.880 -15.901 1.00 0.00 O ATOM 923 CB ASP A 72 3.961 8.525 -16.621 1.00 0.00 C ATOM 924 CG ASP A 72 4.917 8.695 -17.786 1.00 0.00 C ATOM 925 OD1 ASP A 72 5.142 9.850 -18.205 1.00 0.00 O ATOM 926 OD2 ASP A 72 5.440 7.674 -18.278 1.00 0.00 O ATOM 0 H ASP A 72 2.939 8.597 -14.084 1.00 0.00 H new ATOM 0 HA ASP A 72 5.580 8.028 -15.298 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.465 7.557 -16.700 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.184 9.287 -16.678 1.00 0.00 H new ATOM 931 N GLY A 73 5.202 10.397 -13.703 1.00 0.00 N ATOM 932 CA GLY A 73 5.563 11.750 -13.320 1.00 0.00 C ATOM 933 C GLY A 73 5.082 12.105 -11.927 1.00 0.00 C ATOM 934 O GLY A 73 3.974 12.616 -11.756 1.00 0.00 O ATOM 0 H GLY A 73 5.085 9.747 -12.925 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.646 11.861 -13.366 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.140 12.453 -14.038 1.00 0.00 H new ATOM 938 N GLY A 74 5.916 11.832 -10.928 1.00 0.00 N ATOM 939 CA GLY A 74 5.551 12.132 -9.556 1.00 0.00 C ATOM 940 C GLY A 74 6.139 11.141 -8.571 1.00 0.00 C ATOM 941 O GLY A 74 5.406 10.429 -7.885 1.00 0.00 O ATOM 0 H GLY A 74 6.837 11.409 -11.044 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.892 13.136 -9.304 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.465 12.131 -9.463 1.00 0.00 H new ATOM 945 N ILE A 75 7.466 11.093 -8.503 1.00 0.00 N ATOM 946 CA ILE A 75 8.153 10.180 -7.597 1.00 0.00 C ATOM 947 C ILE A 75 7.709 10.400 -6.155 1.00 0.00 C ATOM 948 O ILE A 75 7.241 11.479 -5.795 1.00 0.00 O ATOM 949 CB ILE A 75 9.683 10.346 -7.681 1.00 0.00 C ATOM 950 CG1 ILE A 75 10.144 10.318 -9.142 1.00 0.00 C ATOM 951 CG2 ILE A 75 10.376 9.256 -6.875 1.00 0.00 C ATOM 952 CD1 ILE A 75 11.649 10.319 -9.306 1.00 0.00 C ATOM 0 H ILE A 75 8.087 11.676 -9.065 1.00 0.00 H new ATOM 0 HA ILE A 75 7.888 9.169 -7.908 1.00 0.00 H new ATOM 0 HB ILE A 75 9.955 11.313 -7.257 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.735 9.431 -9.626 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.730 11.183 -9.661 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.456 9.385 -6.943 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.067 9.323 -5.832 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.101 8.279 -7.273 1.00 0.00 H new ATOM 0 HD11 ILE A 75 11.899 10.298 -10.367 1.00 0.00 H new ATOM 0 HD12 ILE A 75 12.064 11.219 -8.853 1.00 0.00 H new ATOM 0 HD13 ILE A 75 12.069 9.440 -8.817 1.00 0.00 H new ATOM 964 N LEU A 76 7.859 9.365 -5.335 1.00 0.00 N ATOM 965 CA LEU A 76 7.475 9.437 -3.932 1.00 0.00 C ATOM 966 C LEU A 76 8.629 9.021 -3.026 1.00 0.00 C ATOM 967 O LEU A 76 9.063 7.868 -3.046 1.00 0.00 O ATOM 968 CB LEU A 76 6.261 8.546 -3.672 1.00 0.00 C ATOM 969 CG LEU A 76 4.920 9.135 -4.114 1.00 0.00 C ATOM 970 CD1 LEU A 76 4.043 8.059 -4.737 1.00 0.00 C ATOM 971 CD2 LEU A 76 4.212 9.791 -2.939 1.00 0.00 C ATOM 0 H LEU A 76 8.245 8.465 -5.620 1.00 0.00 H new ATOM 0 HA LEU A 76 7.217 10.471 -3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.410 7.596 -4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.211 8.328 -2.605 1.00 0.00 H new ATOM 0 HG LEU A 76 5.111 9.899 -4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.094 8.497 -5.045 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.547 7.637 -5.606 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.859 7.271 -4.006 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.260 10.204 -3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.033 9.048 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.835 10.591 -2.540 1.00 0.00 H new ATOM 983 N ASP A 77 9.119 9.969 -2.233 1.00 0.00 N ATOM 984 CA ASP A 77 10.223 9.709 -1.317 1.00 0.00 C ATOM 985 C ASP A 77 9.701 9.331 0.068 1.00 0.00 C ATOM 986 O ASP A 77 8.532 8.974 0.223 1.00 0.00 O ATOM 987 CB ASP A 77 11.131 10.939 -1.223 1.00 0.00 C ATOM 988 CG ASP A 77 12.577 10.615 -1.546 1.00 0.00 C ATOM 989 OD1 ASP A 77 12.820 9.946 -2.572 1.00 0.00 O ATOM 990 OD2 ASP A 77 13.465 11.031 -0.773 1.00 0.00 O ATOM 0 H ASP A 77 8.768 10.926 -2.207 1.00 0.00 H new ATOM 0 HA ASP A 77 10.801 8.871 -1.705 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.771 11.706 -1.909 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.071 11.356 -0.218 1.00 0.00 H new ATOM 995 N LEU A 78 10.571 9.407 1.070 1.00 0.00 N ATOM 996 CA LEU A 78 10.194 9.067 2.438 1.00 0.00 C ATOM 997 C LEU A 78 10.321 10.280 3.354 1.00 0.00 C ATOM 998 O LEU A 78 11.278 10.395 4.120 1.00 0.00 O ATOM 999 CB LEU A 78 11.065 7.922 2.966 1.00 0.00 C ATOM 1000 CG LEU A 78 11.585 6.950 1.905 1.00 0.00 C ATOM 1001 CD1 LEU A 78 12.888 6.311 2.360 1.00 0.00 C ATOM 1002 CD2 LEU A 78 10.544 5.885 1.601 1.00 0.00 C ATOM 0 H LEU A 78 11.542 9.701 0.961 1.00 0.00 H new ATOM 0 HA LEU A 78 9.153 8.745 2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.919 8.350 3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.489 7.358 3.700 1.00 0.00 H new ATOM 0 HG LEU A 78 11.779 7.510 0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 78 13.243 5.623 1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 78 13.635 7.087 2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.721 5.765 3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.932 5.203 0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 78 10.317 5.328 2.510 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.635 6.360 1.230 1.00 0.00 H new ATOM 1014 N ASP A 79 9.350 11.184 3.272 1.00 0.00 N ATOM 1015 CA ASP A 79 9.358 12.388 4.098 1.00 0.00 C ATOM 1016 C ASP A 79 8.075 13.194 3.913 1.00 0.00 C ATOM 1017 O ASP A 79 7.315 13.392 4.860 1.00 0.00 O ATOM 1018 CB ASP A 79 10.569 13.256 3.755 1.00 0.00 C ATOM 1019 CG ASP A 79 10.710 14.445 4.686 1.00 0.00 C ATOM 1020 OD1 ASP A 79 10.080 15.489 4.413 1.00 0.00 O ATOM 1021 OD2 ASP A 79 11.448 14.333 5.687 1.00 0.00 O ATOM 0 H ASP A 79 8.550 11.107 2.644 1.00 0.00 H new ATOM 0 HA ASP A 79 9.420 12.078 5.141 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.473 12.649 3.805 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.479 13.611 2.728 1.00 0.00 H new ATOM 1026 N ASP A 80 7.845 13.663 2.691 1.00 0.00 N ATOM 1027 CA ASP A 80 6.658 14.456 2.381 1.00 0.00 C ATOM 1028 C ASP A 80 5.382 13.740 2.818 1.00 0.00 C ATOM 1029 O ASP A 80 5.161 12.580 2.476 1.00 0.00 O ATOM 1030 CB ASP A 80 6.599 14.756 0.882 1.00 0.00 C ATOM 1031 CG ASP A 80 5.984 16.111 0.589 1.00 0.00 C ATOM 1032 OD1 ASP A 80 5.232 16.620 1.446 1.00 0.00 O ATOM 1033 OD2 ASP A 80 6.256 16.663 -0.499 1.00 0.00 O ATOM 0 H ASP A 80 8.466 13.508 1.897 1.00 0.00 H new ATOM 0 HA ASP A 80 6.729 15.393 2.934 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.606 14.719 0.467 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.019 13.981 0.381 1.00 0.00 H new ATOM 1038 N ILE A 81 4.547 14.444 3.578 1.00 0.00 N ATOM 1039 CA ILE A 81 3.293 13.886 4.068 1.00 0.00 C ATOM 1040 C ILE A 81 2.444 13.335 2.928 1.00 0.00 C ATOM 1041 O ILE A 81 2.461 13.857 1.813 1.00 0.00 O ATOM 1042 CB ILE A 81 2.503 14.951 4.850 1.00 0.00 C ATOM 1043 CG1 ILE A 81 3.213 15.229 6.169 1.00 0.00 C ATOM 1044 CG2 ILE A 81 1.067 14.507 5.103 1.00 0.00 C ATOM 1045 CD1 ILE A 81 3.238 14.028 7.088 1.00 0.00 C ATOM 0 H ILE A 81 4.719 15.407 3.868 1.00 0.00 H new ATOM 0 HA ILE A 81 3.536 13.059 4.736 1.00 0.00 H new ATOM 0 HB ILE A 81 2.461 15.862 4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.236 15.546 5.966 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.717 16.057 6.675 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.539 15.283 5.657 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.566 14.336 4.150 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.068 13.584 5.683 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.757 14.287 8.011 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.217 13.725 7.318 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.759 13.205 6.598 1.00 0.00 H new ATOM 1057 N LEU A 82 1.706 12.269 3.220 1.00 0.00 N ATOM 1058 CA LEU A 82 0.854 11.632 2.229 1.00 0.00 C ATOM 1059 C LEU A 82 -0.209 12.595 1.708 1.00 0.00 C ATOM 1060 O LEU A 82 -0.521 12.605 0.519 1.00 0.00 O ATOM 1061 CB LEU A 82 0.185 10.390 2.819 1.00 0.00 C ATOM 1062 CG LEU A 82 -0.732 9.632 1.856 1.00 0.00 C ATOM 1063 CD1 LEU A 82 0.030 8.514 1.162 1.00 0.00 C ATOM 1064 CD2 LEU A 82 -1.940 9.078 2.596 1.00 0.00 C ATOM 0 H LEU A 82 1.683 11.828 4.140 1.00 0.00 H new ATOM 0 HA LEU A 82 1.486 11.336 1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.961 9.710 3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.396 10.688 3.692 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.085 10.329 1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.638 7.986 0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.862 8.936 0.599 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.413 7.817 1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.581 8.542 1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.606 8.396 3.378 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.499 9.899 3.045 1.00 0.00 H new ATOM 1076 N CYS A 83 -0.766 13.399 2.606 1.00 0.00 N ATOM 1077 CA CYS A 83 -1.797 14.362 2.234 1.00 0.00 C ATOM 1078 C CYS A 83 -1.240 15.463 1.331 1.00 0.00 C ATOM 1079 O CYS A 83 -1.999 16.227 0.735 1.00 0.00 O ATOM 1080 CB CYS A 83 -2.418 14.984 3.486 1.00 0.00 C ATOM 1081 SG CYS A 83 -4.189 15.322 3.343 1.00 0.00 S ATOM 0 H CYS A 83 -0.522 13.404 3.596 1.00 0.00 H new ATOM 0 HA CYS A 83 -2.564 13.824 1.677 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -2.254 14.315 4.331 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -1.898 15.915 3.712 1.00 0.00 H new ATOM 0 HG CYS A 83 -4.622 15.845 4.452 1.00 0.00 H new ATOM 1087 N ASP A 84 0.086 15.548 1.237 1.00 0.00 N ATOM 1088 CA ASP A 84 0.726 16.567 0.412 1.00 0.00 C ATOM 1089 C ASP A 84 1.173 15.996 -0.931 1.00 0.00 C ATOM 1090 O ASP A 84 1.224 16.712 -1.932 1.00 0.00 O ATOM 1091 CB ASP A 84 1.926 17.167 1.147 1.00 0.00 C ATOM 1092 CG ASP A 84 2.057 18.659 0.916 1.00 0.00 C ATOM 1093 OD1 ASP A 84 2.344 19.061 -0.231 1.00 0.00 O ATOM 1094 OD2 ASP A 84 1.872 19.428 1.884 1.00 0.00 O ATOM 0 H ASP A 84 0.734 14.926 1.720 1.00 0.00 H new ATOM 0 HA ASP A 84 -0.008 17.349 0.221 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.828 16.975 2.215 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.838 16.669 0.816 1.00 0.00 H new ATOM 1099 N VAL A 85 1.505 14.708 -0.949 1.00 0.00 N ATOM 1100 CA VAL A 85 1.955 14.056 -2.176 1.00 0.00 C ATOM 1101 C VAL A 85 0.867 13.174 -2.776 1.00 0.00 C ATOM 1102 O VAL A 85 0.633 13.194 -3.983 1.00 0.00 O ATOM 1103 CB VAL A 85 3.216 13.205 -1.932 1.00 0.00 C ATOM 1104 CG1 VAL A 85 4.374 14.083 -1.487 1.00 0.00 C ATOM 1105 CG2 VAL A 85 2.939 12.114 -0.908 1.00 0.00 C ATOM 0 H VAL A 85 1.471 14.097 -0.133 1.00 0.00 H new ATOM 0 HA VAL A 85 2.192 14.853 -2.880 1.00 0.00 H new ATOM 0 HB VAL A 85 3.493 12.725 -2.870 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.256 13.465 -1.319 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.589 14.821 -2.260 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.108 14.594 -0.562 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.842 11.525 -0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.633 12.569 0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.142 11.466 -1.273 1.00 0.00 H new ATOM 1115 N ALA A 86 0.208 12.397 -1.926 1.00 0.00 N ATOM 1116 CA ALA A 86 -0.852 11.504 -2.373 1.00 0.00 C ATOM 1117 C ALA A 86 -2.204 12.207 -2.367 1.00 0.00 C ATOM 1118 O ALA A 86 -2.324 13.344 -1.912 1.00 0.00 O ATOM 1119 CB ALA A 86 -0.897 10.259 -1.498 1.00 0.00 C ATOM 0 H ALA A 86 0.389 12.367 -0.923 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.633 11.207 -3.399 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.694 9.600 -1.843 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.058 9.737 -1.559 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.087 10.548 -0.464 1.00 0.00 H new ATOM 1125 N ASP A 87 -3.222 11.519 -2.874 1.00 0.00 N ATOM 1126 CA ASP A 87 -4.569 12.070 -2.928 1.00 0.00 C ATOM 1127 C ASP A 87 -5.608 10.975 -2.709 1.00 0.00 C ATOM 1128 O ASP A 87 -5.347 9.800 -2.962 1.00 0.00 O ATOM 1129 CB ASP A 87 -4.808 12.759 -4.272 1.00 0.00 C ATOM 1130 CG ASP A 87 -5.838 13.866 -4.180 1.00 0.00 C ATOM 1131 OD1 ASP A 87 -7.047 13.564 -4.285 1.00 0.00 O ATOM 1132 OD2 ASP A 87 -5.439 15.036 -4.002 1.00 0.00 O ATOM 0 H ASP A 87 -3.138 10.576 -3.254 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.669 12.807 -2.131 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.868 13.171 -4.638 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.138 12.020 -5.002 1.00 0.00 H new ATOM 1137 N ASP A 88 -6.787 11.369 -2.237 1.00 0.00 N ATOM 1138 CA ASP A 88 -7.868 10.421 -1.983 1.00 0.00 C ATOM 1139 C ASP A 88 -8.082 9.497 -3.180 1.00 0.00 C ATOM 1140 O ASP A 88 -8.411 9.950 -4.277 1.00 0.00 O ATOM 1141 CB ASP A 88 -9.164 11.168 -1.666 1.00 0.00 C ATOM 1142 CG ASP A 88 -10.085 10.370 -0.764 1.00 0.00 C ATOM 1143 OD1 ASP A 88 -9.865 10.376 0.466 1.00 0.00 O ATOM 1144 OD2 ASP A 88 -11.026 9.737 -1.287 1.00 0.00 O ATOM 0 H ASP A 88 -7.019 12.339 -2.022 1.00 0.00 H new ATOM 0 HA ASP A 88 -7.585 9.812 -1.125 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.925 12.118 -1.188 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.683 11.401 -2.596 1.00 0.00 H new ATOM 1149 N LYS A 89 -7.889 8.201 -2.960 1.00 0.00 N ATOM 1150 CA LYS A 89 -8.056 7.211 -4.020 1.00 0.00 C ATOM 1151 C LYS A 89 -7.045 7.440 -5.140 1.00 0.00 C ATOM 1152 O LYS A 89 -7.415 7.636 -6.297 1.00 0.00 O ATOM 1153 CB LYS A 89 -9.484 7.264 -4.576 1.00 0.00 C ATOM 1154 CG LYS A 89 -10.089 5.892 -4.823 1.00 0.00 C ATOM 1155 CD LYS A 89 -9.288 5.106 -5.850 1.00 0.00 C ATOM 1156 CE LYS A 89 -8.381 4.080 -5.187 1.00 0.00 C ATOM 1157 NZ LYS A 89 -6.941 4.398 -5.391 1.00 0.00 N ATOM 0 H LYS A 89 -7.617 7.811 -2.058 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.879 6.223 -3.596 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.117 7.811 -3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.481 7.825 -5.511 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.127 5.336 -3.886 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -11.117 6.003 -5.169 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.969 4.601 -6.535 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.687 5.792 -6.446 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.596 4.041 -4.119 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.595 3.091 -5.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.399 3.514 -5.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.829 4.955 -6.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.589 4.947 -4.581 1.00 0.00 H new ATOM 1171 N ASP A 90 -5.764 7.414 -4.785 1.00 0.00 N ATOM 1172 CA ASP A 90 -4.696 7.619 -5.757 1.00 0.00 C ATOM 1173 C ASP A 90 -3.885 6.341 -5.953 1.00 0.00 C ATOM 1174 O ASP A 90 -3.720 5.551 -5.025 1.00 0.00 O ATOM 1175 CB ASP A 90 -3.776 8.753 -5.304 1.00 0.00 C ATOM 1176 CG ASP A 90 -2.865 9.239 -6.415 1.00 0.00 C ATOM 1177 OD1 ASP A 90 -3.291 10.119 -7.190 1.00 0.00 O ATOM 1178 OD2 ASP A 90 -1.725 8.736 -6.508 1.00 0.00 O ATOM 0 H ASP A 90 -5.441 7.253 -3.831 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.153 7.889 -6.709 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.381 9.585 -4.944 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.170 8.412 -4.464 1.00 0.00 H new ATOM 1183 N ARG A 91 -3.383 6.144 -7.169 1.00 0.00 N ATOM 1184 CA ARG A 91 -2.589 4.965 -7.487 1.00 0.00 C ATOM 1185 C ARG A 91 -1.097 5.270 -7.387 1.00 0.00 C ATOM 1186 O ARG A 91 -0.666 6.394 -7.642 1.00 0.00 O ATOM 1187 CB ARG A 91 -2.928 4.460 -8.891 1.00 0.00 C ATOM 1188 CG ARG A 91 -3.085 2.949 -8.972 1.00 0.00 C ATOM 1189 CD ARG A 91 -4.144 2.553 -9.990 1.00 0.00 C ATOM 1190 NE ARG A 91 -4.937 1.412 -9.539 1.00 0.00 N ATOM 1191 CZ ARG A 91 -5.935 1.502 -8.663 1.00 0.00 C ATOM 1192 NH1 ARG A 91 -6.265 2.678 -8.141 1.00 0.00 N ATOM 1193 NH2 ARG A 91 -6.605 0.414 -8.308 1.00 0.00 N ATOM 0 H ARG A 91 -3.513 6.787 -7.950 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.830 4.188 -6.762 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.852 4.932 -9.225 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.144 4.773 -9.580 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.131 2.497 -9.243 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.356 2.557 -7.992 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.803 3.401 -10.177 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.663 2.309 -10.937 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.713 0.492 -9.918 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.753 3.518 -8.411 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.031 2.741 -7.470 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.355 -0.491 -8.706 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.370 0.482 -7.637 1.00 0.00 H new ATOM 1207 N LEU A 92 -0.314 4.263 -7.013 1.00 0.00 N ATOM 1208 CA LEU A 92 1.129 4.423 -6.877 1.00 0.00 C ATOM 1209 C LEU A 92 1.861 3.141 -7.261 1.00 0.00 C ATOM 1210 O LEU A 92 1.243 2.090 -7.431 1.00 0.00 O ATOM 1211 CB LEU A 92 1.487 4.816 -5.441 1.00 0.00 C ATOM 1212 CG LEU A 92 0.670 5.973 -4.861 1.00 0.00 C ATOM 1213 CD1 LEU A 92 0.842 6.041 -3.351 1.00 0.00 C ATOM 1214 CD2 LEU A 92 1.077 7.292 -5.506 1.00 0.00 C ATOM 0 H LEU A 92 -0.656 3.326 -6.798 1.00 0.00 H new ATOM 0 HA LEU A 92 1.445 5.216 -7.555 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.359 3.944 -4.800 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.543 5.084 -5.407 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.383 5.795 -5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.254 6.869 -2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.501 5.107 -2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.894 6.195 -3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.485 8.103 -5.081 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.135 7.478 -5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.903 7.241 -6.581 1.00 0.00 H new ATOM 1226 N VAL A 93 3.180 3.236 -7.392 1.00 0.00 N ATOM 1227 CA VAL A 93 4.000 2.086 -7.752 1.00 0.00 C ATOM 1228 C VAL A 93 5.148 1.902 -6.763 1.00 0.00 C ATOM 1229 O VAL A 93 6.039 2.745 -6.670 1.00 0.00 O ATOM 1230 CB VAL A 93 4.578 2.228 -9.174 1.00 0.00 C ATOM 1231 CG1 VAL A 93 5.298 0.954 -9.590 1.00 0.00 C ATOM 1232 CG2 VAL A 93 3.477 2.576 -10.166 1.00 0.00 C ATOM 0 H VAL A 93 3.704 4.100 -7.254 1.00 0.00 H new ATOM 0 HA VAL A 93 3.351 1.211 -7.720 1.00 0.00 H new ATOM 0 HB VAL A 93 5.303 3.042 -9.171 1.00 0.00 H new ATOM 0 HG11 VAL A 93 5.699 1.075 -10.596 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.114 0.754 -8.896 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.597 0.119 -9.576 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.904 2.672 -11.164 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.725 1.786 -10.167 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.012 3.519 -9.878 1.00 0.00 H new ATOM 1242 N ALA A 94 5.114 0.798 -6.025 1.00 0.00 N ATOM 1243 CA ALA A 94 6.148 0.507 -5.039 1.00 0.00 C ATOM 1244 C ALA A 94 7.246 -0.375 -5.626 1.00 0.00 C ATOM 1245 O ALA A 94 6.981 -1.478 -6.109 1.00 0.00 O ATOM 1246 CB ALA A 94 5.538 -0.152 -3.812 1.00 0.00 C ATOM 0 H ALA A 94 4.382 0.090 -6.091 1.00 0.00 H new ATOM 0 HA ALA A 94 6.603 1.452 -4.743 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.322 -0.363 -3.085 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.802 0.518 -3.368 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.052 -1.083 -4.103 1.00 0.00 H new ATOM 1252 N VAL A 95 8.479 0.118 -5.571 1.00 0.00 N ATOM 1253 CA VAL A 95 9.626 -0.619 -6.085 1.00 0.00 C ATOM 1254 C VAL A 95 10.523 -1.084 -4.945 1.00 0.00 C ATOM 1255 O VAL A 95 11.152 -0.272 -4.264 1.00 0.00 O ATOM 1256 CB VAL A 95 10.453 0.237 -7.063 1.00 0.00 C ATOM 1257 CG1 VAL A 95 11.537 -0.602 -7.725 1.00 0.00 C ATOM 1258 CG2 VAL A 95 9.551 0.876 -8.108 1.00 0.00 C ATOM 0 H VAL A 95 8.709 1.029 -5.174 1.00 0.00 H new ATOM 0 HA VAL A 95 9.238 -1.486 -6.620 1.00 0.00 H new ATOM 0 HB VAL A 95 10.937 1.033 -6.498 1.00 0.00 H new ATOM 0 HG11 VAL A 95 12.110 0.021 -8.412 1.00 0.00 H new ATOM 0 HG12 VAL A 95 12.201 -1.006 -6.961 1.00 0.00 H new ATOM 0 HG13 VAL A 95 11.077 -1.422 -8.276 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.153 1.477 -8.790 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.036 0.097 -8.669 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.817 1.513 -7.615 1.00 0.00 H new ATOM 1268 N PHE A 96 10.572 -2.394 -4.731 1.00 0.00 N ATOM 1269 CA PHE A 96 11.383 -2.961 -3.662 1.00 0.00 C ATOM 1270 C PHE A 96 12.051 -4.259 -4.103 1.00 0.00 C ATOM 1271 O PHE A 96 11.791 -4.767 -5.192 1.00 0.00 O ATOM 1272 CB PHE A 96 10.519 -3.219 -2.427 1.00 0.00 C ATOM 1273 CG PHE A 96 9.473 -4.275 -2.641 1.00 0.00 C ATOM 1274 CD1 PHE A 96 8.345 -4.004 -3.399 1.00 0.00 C ATOM 1275 CD2 PHE A 96 9.617 -5.537 -2.088 1.00 0.00 C ATOM 1276 CE1 PHE A 96 7.380 -4.972 -3.601 1.00 0.00 C ATOM 1277 CE2 PHE A 96 8.656 -6.509 -2.287 1.00 0.00 C ATOM 1278 CZ PHE A 96 7.534 -6.226 -3.044 1.00 0.00 C ATOM 0 H PHE A 96 10.060 -3.082 -5.283 1.00 0.00 H new ATOM 0 HA PHE A 96 12.164 -2.241 -3.416 1.00 0.00 H new ATOM 0 HB2 PHE A 96 11.162 -3.517 -1.599 1.00 0.00 H new ATOM 0 HB3 PHE A 96 10.031 -2.289 -2.133 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.219 -3.025 -3.837 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.491 -5.763 -1.495 1.00 0.00 H new ATOM 0 HE1 PHE A 96 6.506 -4.748 -4.194 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.781 -7.489 -1.852 1.00 0.00 H new ATOM 0 HZ PHE A 96 6.780 -6.984 -3.199 1.00 0.00 H new ATOM 1288 N ASP A 97 12.904 -4.794 -3.236 1.00 0.00 N ATOM 1289 CA ASP A 97 13.604 -6.041 -3.515 1.00 0.00 C ATOM 1290 C ASP A 97 13.046 -7.159 -2.643 1.00 0.00 C ATOM 1291 O ASP A 97 12.423 -6.897 -1.615 1.00 0.00 O ATOM 1292 CB ASP A 97 15.105 -5.877 -3.261 1.00 0.00 C ATOM 1293 CG ASP A 97 15.930 -6.097 -4.514 1.00 0.00 C ATOM 1294 OD1 ASP A 97 16.322 -7.255 -4.769 1.00 0.00 O ATOM 1295 OD2 ASP A 97 16.185 -5.111 -5.238 1.00 0.00 O ATOM 0 H ASP A 97 13.127 -4.381 -2.331 1.00 0.00 H new ATOM 0 HA ASP A 97 13.453 -6.299 -4.563 1.00 0.00 H new ATOM 0 HB2 ASP A 97 15.298 -4.877 -2.873 1.00 0.00 H new ATOM 0 HB3 ASP A 97 15.420 -6.583 -2.493 1.00 0.00 H new ATOM 1300 N GLU A 98 13.267 -8.403 -3.053 1.00 0.00 N ATOM 1301 CA GLU A 98 12.773 -9.546 -2.296 1.00 0.00 C ATOM 1302 C GLU A 98 13.589 -10.800 -2.593 1.00 0.00 C ATOM 1303 O GLU A 98 13.888 -11.097 -3.749 1.00 0.00 O ATOM 1304 CB GLU A 98 11.300 -9.799 -2.619 1.00 0.00 C ATOM 1305 CG GLU A 98 11.003 -9.840 -4.108 1.00 0.00 C ATOM 1306 CD GLU A 98 9.726 -10.595 -4.428 1.00 0.00 C ATOM 1307 OE1 GLU A 98 8.899 -10.777 -3.509 1.00 0.00 O ATOM 1308 OE2 GLU A 98 9.553 -11.002 -5.596 1.00 0.00 O ATOM 0 H GLU A 98 13.782 -8.644 -3.900 1.00 0.00 H new ATOM 0 HA GLU A 98 12.875 -9.313 -1.236 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.995 -10.744 -2.170 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.696 -9.018 -2.158 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.923 -8.821 -4.487 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.838 -10.309 -4.628 1.00 0.00 H new ATOM 1315 N GLN A 99 13.940 -11.540 -1.542 1.00 0.00 N ATOM 1316 CA GLN A 99 14.714 -12.769 -1.707 1.00 0.00 C ATOM 1317 C GLN A 99 13.842 -13.998 -1.466 1.00 0.00 C ATOM 1318 O GLN A 99 14.005 -14.705 -0.472 1.00 0.00 O ATOM 1319 CB GLN A 99 15.924 -12.793 -0.767 1.00 0.00 C ATOM 1320 CG GLN A 99 16.780 -14.043 -0.904 1.00 0.00 C ATOM 1321 CD GLN A 99 17.977 -14.033 0.027 1.00 0.00 C ATOM 1322 OE1 GLN A 99 19.035 -13.507 -0.312 1.00 0.00 O ATOM 1323 NE2 GLN A 99 17.812 -14.618 1.207 1.00 0.00 N ATOM 0 H GLN A 99 13.703 -11.313 -0.576 1.00 0.00 H new ATOM 0 HA GLN A 99 15.076 -12.792 -2.735 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.542 -11.917 -0.962 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.575 -12.714 0.262 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.170 -14.922 -0.696 1.00 0.00 H new ATOM 0 HG3 GLN A 99 17.126 -14.131 -1.934 1.00 0.00 H new ATOM 0 HE21 GLN A 99 16.915 -15.042 1.445 1.00 0.00 H new ATOM 0 HE22 GLN A 99 18.582 -14.644 1.876 1.00 0.00 H new ATOM 1332 N ASP A 100 12.913 -14.243 -2.384 1.00 0.00 N ATOM 1333 CA ASP A 100 12.013 -15.385 -2.271 1.00 0.00 C ATOM 1334 C ASP A 100 12.738 -16.686 -2.602 1.00 0.00 C ATOM 1335 O ASP A 100 13.830 -16.617 -3.204 1.00 0.00 O ATOM 1336 CB ASP A 100 10.811 -15.208 -3.202 1.00 0.00 C ATOM 1337 CG ASP A 100 11.223 -15.014 -4.648 1.00 0.00 C ATOM 1338 OD1 ASP A 100 12.369 -15.374 -4.992 1.00 0.00 O ATOM 1339 OD2 ASP A 100 10.401 -14.501 -5.436 1.00 0.00 O ATOM 1340 OXT ASP A 100 12.211 -17.762 -2.252 1.00 0.00 O ATOM 0 H ASP A 100 12.764 -13.667 -3.213 1.00 0.00 H new ATOM 0 HA ASP A 100 11.662 -15.437 -1.240 1.00 0.00 H new ATOM 0 HB2 ASP A 100 10.164 -16.082 -3.126 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.226 -14.348 -2.875 1.00 0.00 H new TER 1345 ASP A 100