USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 673 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 5 THR OG1 : rot -66:sc= 0.437 USER MOD Set 1.2: A 92 GLN : amide:sc= 0.428 K(o=0.86,f=-0.84) USER MOD Set 2.1: A 51 HIS : no HE2:sc= -4.71! C(o=-6.9!,f=-8!) USER MOD Set 2.2: A 54 HIS : no HE2:sc= -2.16! K(o=-6.9!,f=-7.8) USER MOD Set 3.1: A 46 CYS SG : rot 22:sc= 0.165 USER MOD Set 3.2: A 70 MET CE :methyl -173:sc= -0.61 (180deg=-0.604) USER MOD Set 4.1: A 10 THR OG1 : rot 135:sc= -0.568 USER MOD Set 4.2: A 81 MET CE :methyl -135:sc= -4.49! (180deg=-3.4) USER MOD Set 5.1: A 6 SER OG : rot 100:sc= -0.482 USER MOD Set 5.2: A 57 MET CE :methyl 167:sc= -5.98 (180deg=-5.82!) USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0208 (180deg=-0.621) USER MOD Single : A 1 MET N :NH3+ 177:sc= -1.24 (180deg=-1.29) USER MOD Single : A 4 SER OG : rot 121:sc= 0.288 USER MOD Single : A 7 HIS : no HD1:sc= -0.449 X(o=-0.45,f=-0.19) USER MOD Single : A 12 SER OG : rot -59:sc= 1.14 USER MOD Single : A 16 TYR OH : rot 165:sc= -0.623 USER MOD Single : A 18 ASN : amide:sc= -4.38! C(o=-4.4!,f=-9.5!) USER MOD Single : A 21 CYS SG : rot -52:sc= -3.19 USER MOD Single : A 22 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0202) USER MOD Single : A 23 HIS : no HE2:sc= -0.127 K(o=-0.13,f=-1.1) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= 0.233 (180deg=0.075) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -12:sc= 0.636 USER MOD Single : A 45 ASN : amide:sc= -5.78! C(o=-5.8!,f=-7!) USER MOD Single : A 60 ASN : amide:sc= -3.07 K(o=-3.1,f=-11!) USER MOD Single : A 61 SER OG : rot -65:sc= -6.76! USER MOD Single : A 66 SER OG : rot -10:sc= -1.53 USER MOD Single : A 69 HIS : no HD1:sc= -0.0588 X(o=-0.059,f=0) USER MOD Single : A 71 GLN : amide:sc= -1.22! C(o=-1.2!,f=-2.2!) USER MOD Single : A 72 ASN : amide:sc= -0.142 K(o=-0.14,f=-2.1!) USER MOD Single : A 77 HIS : no HD1:sc= -2.52 K(o=-2.5,f=-3.5!) USER MOD Single : A 79 GLN : amide:sc= -0.897 X(o=-0.9,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.337 15.067 -6.011 1.00 0.00 N ATOM 2 CA MET A 1 6.881 14.164 -4.918 1.00 0.00 C ATOM 3 C MET A 1 5.465 14.504 -4.469 1.00 0.00 C ATOM 4 O MET A 1 5.242 15.332 -3.587 1.00 0.00 O ATOM 5 CB MET A 1 7.874 14.243 -3.754 1.00 0.00 C ATOM 6 CG MET A 1 7.883 15.578 -3.025 1.00 0.00 C ATOM 7 SD MET A 1 7.897 15.391 -1.231 1.00 0.00 S ATOM 8 CE MET A 1 6.291 16.060 -0.807 1.00 0.00 C ATOM 0 H1 MET A 1 8.322 14.842 -6.259 1.00 0.00 H new ATOM 0 H2 MET A 1 6.731 14.935 -6.846 1.00 0.00 H new ATOM 0 H3 MET A 1 7.277 16.055 -5.693 1.00 0.00 H new ATOM 0 HA MET A 1 6.852 13.140 -5.291 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.640 13.454 -3.039 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.876 14.043 -4.133 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.758 16.150 -3.333 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.006 16.154 -3.319 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.258 16.278 0.260 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.119 16.977 -1.370 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.517 15.332 -1.053 1.00 0.00 H new ATOM 17 N PHE A 2 4.511 13.832 -5.090 1.00 0.00 N ATOM 18 CA PHE A 2 3.095 14.017 -4.782 1.00 0.00 C ATOM 19 C PHE A 2 2.643 12.921 -3.824 1.00 0.00 C ATOM 20 O PHE A 2 3.392 11.975 -3.577 1.00 0.00 O ATOM 21 CB PHE A 2 2.253 13.992 -6.069 1.00 0.00 C ATOM 22 CG PHE A 2 3.028 14.318 -7.316 1.00 0.00 C ATOM 23 CD1 PHE A 2 3.535 15.592 -7.519 1.00 0.00 C ATOM 24 CD2 PHE A 2 3.241 13.353 -8.288 1.00 0.00 C ATOM 25 CE1 PHE A 2 4.240 15.897 -8.666 1.00 0.00 C ATOM 26 CE2 PHE A 2 3.944 13.654 -9.437 1.00 0.00 C ATOM 27 CZ PHE A 2 4.445 14.927 -9.627 1.00 0.00 C ATOM 0 H PHE A 2 4.691 13.143 -5.821 1.00 0.00 H new ATOM 0 HA PHE A 2 2.954 14.989 -4.309 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.807 13.004 -6.179 1.00 0.00 H new ATOM 0 HB3 PHE A 2 1.433 14.703 -5.968 1.00 0.00 H new ATOM 0 HD1 PHE A 2 3.377 16.355 -6.771 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.853 12.355 -8.145 1.00 0.00 H new ATOM 0 HE1 PHE A 2 4.631 16.893 -8.812 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.102 12.894 -10.188 1.00 0.00 H new ATOM 0 HZ PHE A 2 4.996 15.163 -10.525 1.00 0.00 H new ATOM 37 N ARG A 3 1.434 13.030 -3.273 1.00 0.00 N ATOM 38 CA ARG A 3 0.964 12.004 -2.345 1.00 0.00 C ATOM 39 C ARG A 3 -0.554 11.811 -2.401 1.00 0.00 C ATOM 40 O ARG A 3 -1.322 12.757 -2.230 1.00 0.00 O ATOM 41 CB ARG A 3 1.408 12.316 -0.906 1.00 0.00 C ATOM 42 CG ARG A 3 2.209 11.188 -0.276 1.00 0.00 C ATOM 43 CD ARG A 3 3.694 11.513 -0.209 1.00 0.00 C ATOM 44 NE ARG A 3 4.222 11.383 1.148 1.00 0.00 N ATOM 45 CZ ARG A 3 5.376 11.909 1.548 1.00 0.00 C ATOM 46 NH1 ARG A 3 6.128 12.601 0.700 1.00 0.00 N ATOM 47 NH2 ARG A 3 5.782 11.743 2.799 1.00 0.00 N ATOM 0 H ARG A 3 0.780 13.794 -3.446 1.00 0.00 H new ATOM 0 HA ARG A 3 1.422 11.067 -2.662 1.00 0.00 H new ATOM 0 HB2 ARG A 3 2.009 13.226 -0.906 1.00 0.00 H new ATOM 0 HB3 ARG A 3 0.528 12.515 -0.295 1.00 0.00 H new ATOM 0 HG2 ARG A 3 1.834 10.995 0.729 1.00 0.00 H new ATOM 0 HG3 ARG A 3 2.063 10.274 -0.852 1.00 0.00 H new ATOM 0 HD2 ARG A 3 4.241 10.847 -0.876 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.859 12.529 -0.567 1.00 0.00 H new ATOM 0 HE ARG A 3 3.673 10.858 1.828 1.00 0.00 H new ATOM 0 HH11 ARG A 3 5.821 12.731 -0.264 1.00 0.00 H new ATOM 0 HH12 ARG A 3 7.012 13.002 1.013 1.00 0.00 H new ATOM 0 HH21 ARG A 3 5.209 11.212 3.455 1.00 0.00 H new ATOM 0 HH22 ARG A 3 6.667 12.146 3.106 1.00 0.00 H new ATOM 61 N SER A 4 -0.965 10.560 -2.619 1.00 0.00 N ATOM 62 CA SER A 4 -2.374 10.181 -2.681 1.00 0.00 C ATOM 63 C SER A 4 -2.684 9.215 -1.546 1.00 0.00 C ATOM 64 O SER A 4 -1.769 8.647 -0.949 1.00 0.00 O ATOM 65 CB SER A 4 -2.689 9.515 -4.029 1.00 0.00 C ATOM 66 OG SER A 4 -3.659 8.490 -3.883 1.00 0.00 O ATOM 0 H SER A 4 -0.324 9.779 -2.758 1.00 0.00 H new ATOM 0 HA SER A 4 -2.989 11.075 -2.582 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.052 10.265 -4.732 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.776 9.097 -4.453 1.00 0.00 H new ATOM 0 HG SER A 4 -4.435 8.691 -4.447 1.00 0.00 H new ATOM 72 N THR A 5 -3.962 9.016 -1.244 1.00 0.00 N ATOM 73 CA THR A 5 -4.326 8.096 -0.173 1.00 0.00 C ATOM 74 C THR A 5 -5.630 7.357 -0.455 1.00 0.00 C ATOM 75 O THR A 5 -6.663 7.971 -0.721 1.00 0.00 O ATOM 76 CB THR A 5 -4.428 8.830 1.173 1.00 0.00 C ATOM 77 OG1 THR A 5 -5.589 9.640 1.211 1.00 0.00 O ATOM 78 CG2 THR A 5 -3.241 9.722 1.495 1.00 0.00 C ATOM 0 H THR A 5 -4.747 9.467 -1.713 1.00 0.00 H new ATOM 0 HA THR A 5 -3.528 7.355 -0.121 1.00 0.00 H new ATOM 0 HB THR A 5 -4.460 8.034 1.917 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.508 10.359 0.550 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.397 10.200 2.462 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.333 9.120 1.530 1.00 0.00 H new ATOM 0 HG23 THR A 5 -3.140 10.486 0.724 1.00 0.00 H new ATOM 86 N SER A 6 -5.575 6.027 -0.371 1.00 0.00 N ATOM 87 CA SER A 6 -6.754 5.191 -0.593 1.00 0.00 C ATOM 88 C SER A 6 -7.200 4.534 0.715 1.00 0.00 C ATOM 89 O SER A 6 -6.397 3.911 1.410 1.00 0.00 O ATOM 90 CB SER A 6 -6.455 4.119 -1.642 1.00 0.00 C ATOM 91 OG SER A 6 -7.629 3.404 -1.988 1.00 0.00 O ATOM 0 H SER A 6 -4.726 5.506 -0.151 1.00 0.00 H new ATOM 0 HA SER A 6 -7.561 5.826 -0.958 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.033 4.585 -2.533 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.705 3.428 -1.257 1.00 0.00 H new ATOM 0 HG SER A 6 -7.987 3.751 -2.832 1.00 0.00 H new ATOM 97 N HIS A 7 -8.482 4.681 1.051 1.00 0.00 N ATOM 98 CA HIS A 7 -9.025 4.104 2.284 1.00 0.00 C ATOM 99 C HIS A 7 -10.035 2.992 1.983 1.00 0.00 C ATOM 100 O HIS A 7 -10.941 3.173 1.168 1.00 0.00 O ATOM 101 CB HIS A 7 -9.677 5.199 3.139 1.00 0.00 C ATOM 102 CG HIS A 7 -11.067 5.561 2.711 1.00 0.00 C ATOM 103 ND1 HIS A 7 -11.341 6.580 1.824 1.00 0.00 N ATOM 104 CD2 HIS A 7 -12.266 5.030 3.054 1.00 0.00 C ATOM 105 CE1 HIS A 7 -12.646 6.662 1.640 1.00 0.00 C ATOM 106 NE2 HIS A 7 -13.230 5.734 2.375 1.00 0.00 N ATOM 0 H HIS A 7 -9.163 5.193 0.490 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.198 3.662 2.841 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.702 4.868 4.177 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -9.053 6.092 3.104 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -12.432 4.207 3.734 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -13.150 7.368 0.997 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -14.235 5.567 2.430 1.00 0.00 H new ATOM 115 N VAL A 8 -9.876 1.845 2.645 1.00 0.00 N ATOM 116 CA VAL A 8 -10.777 0.712 2.447 1.00 0.00 C ATOM 117 C VAL A 8 -11.075 0.023 3.774 1.00 0.00 C ATOM 118 O VAL A 8 -10.256 0.068 4.692 1.00 0.00 O ATOM 119 CB VAL A 8 -10.178 -0.322 1.468 1.00 0.00 C ATOM 120 CG1 VAL A 8 -11.268 -1.207 0.880 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.390 0.370 0.365 1.00 0.00 C ATOM 0 H VAL A 8 -9.132 1.677 3.322 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.700 1.107 2.022 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.491 -0.958 2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.822 -1.927 0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.777 -1.739 1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.987 -0.590 0.341 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.978 -0.378 -0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -10.050 1.037 -0.190 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.577 0.947 0.806 1.00 0.00 H new ATOM 131 N ARG A 9 -12.232 -0.630 3.879 1.00 0.00 N ATOM 132 CA ARG A 9 -12.570 -1.328 5.119 1.00 0.00 C ATOM 133 C ARG A 9 -12.293 -2.827 4.984 1.00 0.00 C ATOM 134 O ARG A 9 -13.033 -3.549 4.317 1.00 0.00 O ATOM 135 CB ARG A 9 -14.032 -1.090 5.506 1.00 0.00 C ATOM 136 CG ARG A 9 -14.233 0.183 6.311 1.00 0.00 C ATOM 137 CD ARG A 9 -13.880 1.418 5.496 1.00 0.00 C ATOM 138 NE ARG A 9 -14.659 1.501 4.263 1.00 0.00 N ATOM 139 CZ ARG A 9 -15.916 1.934 4.207 1.00 0.00 C ATOM 140 NH1 ARG A 9 -16.540 2.327 5.310 1.00 0.00 N ATOM 141 NH2 ARG A 9 -16.551 1.978 3.044 1.00 0.00 N ATOM 0 H ARG A 9 -12.935 -0.691 3.142 1.00 0.00 H new ATOM 0 HA ARG A 9 -11.940 -0.925 5.912 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.638 -1.041 4.601 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.392 -1.940 6.085 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.270 0.247 6.640 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.615 0.149 7.208 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.055 2.311 6.096 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.818 1.401 5.253 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.213 1.210 3.393 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -16.056 2.298 6.207 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -17.504 2.658 5.260 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.076 1.680 2.192 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -17.515 2.310 3.001 1.00 0.00 H new ATOM 155 N THR A 10 -11.216 -3.279 5.626 1.00 0.00 N ATOM 156 CA THR A 10 -10.820 -4.686 5.590 1.00 0.00 C ATOM 157 C THR A 10 -10.552 -5.228 6.998 1.00 0.00 C ATOM 158 O THR A 10 -10.236 -4.468 7.904 1.00 0.00 O ATOM 159 CB THR A 10 -9.589 -4.862 4.696 1.00 0.00 C ATOM 160 OG1 THR A 10 -9.863 -5.765 3.640 1.00 0.00 O ATOM 161 CG2 THR A 10 -8.372 -5.374 5.430 1.00 0.00 C ATOM 0 H THR A 10 -10.599 -2.686 6.181 1.00 0.00 H new ATOM 0 HA THR A 10 -11.645 -5.262 5.171 1.00 0.00 H new ATOM 0 HB THR A 10 -9.367 -3.863 4.320 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.519 -5.399 2.799 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.541 -5.473 4.732 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.101 -4.673 6.219 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.594 -6.346 5.869 1.00 0.00 H new ATOM 169 N GLU A 11 -10.650 -6.543 7.170 1.00 0.00 N ATOM 170 CA GLU A 11 -10.388 -7.161 8.471 1.00 0.00 C ATOM 171 C GLU A 11 -9.017 -7.849 8.505 1.00 0.00 C ATOM 172 O GLU A 11 -8.573 -8.414 7.505 1.00 0.00 O ATOM 173 CB GLU A 11 -11.482 -8.172 8.798 1.00 0.00 C ATOM 174 CG GLU A 11 -12.256 -7.830 10.057 1.00 0.00 C ATOM 175 CD GLU A 11 -13.757 -7.850 9.847 1.00 0.00 C ATOM 176 OE1 GLU A 11 -14.256 -8.807 9.219 1.00 0.00 O ATOM 177 OE2 GLU A 11 -14.434 -6.908 10.310 1.00 0.00 O ATOM 0 H GLU A 11 -10.907 -7.199 6.433 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.385 -6.369 9.220 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.175 -8.232 7.959 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.033 -9.159 8.912 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.994 -8.539 10.843 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.956 -6.842 10.406 1.00 0.00 H new ATOM 184 N SER A 12 -8.353 -7.805 9.668 1.00 0.00 N ATOM 185 CA SER A 12 -7.042 -8.429 9.838 1.00 0.00 C ATOM 186 C SER A 12 -6.023 -7.858 8.859 1.00 0.00 C ATOM 187 O SER A 12 -5.059 -8.525 8.483 1.00 0.00 O ATOM 188 CB SER A 12 -7.151 -9.941 9.663 1.00 0.00 C ATOM 189 OG SER A 12 -5.871 -10.550 9.658 1.00 0.00 O ATOM 0 H SER A 12 -8.707 -7.341 10.505 1.00 0.00 H new ATOM 0 HA SER A 12 -6.695 -8.210 10.848 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.753 -10.361 10.469 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.667 -10.165 8.730 1.00 0.00 H new ATOM 0 HG SER A 12 -5.336 -10.181 8.925 1.00 0.00 H new ATOM 195 N ALA A 13 -6.247 -6.617 8.458 1.00 0.00 N ATOM 196 CA ALA A 13 -5.352 -5.932 7.520 1.00 0.00 C ATOM 197 C ALA A 13 -3.893 -5.958 7.970 1.00 0.00 C ATOM 198 O ALA A 13 -2.982 -6.049 7.146 1.00 0.00 O ATOM 199 CB ALA A 13 -5.794 -4.494 7.342 1.00 0.00 C ATOM 0 H ALA A 13 -7.042 -6.056 8.765 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.414 -6.470 6.574 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.125 -3.991 6.644 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.811 -4.472 6.950 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.765 -3.983 8.304 1.00 0.00 H new ATOM 205 N ALA A 14 -3.675 -5.829 9.270 1.00 0.00 N ATOM 206 CA ALA A 14 -2.321 -5.784 9.833 1.00 0.00 C ATOM 207 C ALA A 14 -1.429 -6.948 9.391 1.00 0.00 C ATOM 208 O ALA A 14 -0.204 -6.843 9.448 1.00 0.00 O ATOM 209 CB ALA A 14 -2.401 -5.712 11.346 1.00 0.00 C ATOM 0 H ALA A 14 -4.419 -5.753 9.964 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.845 -4.885 9.440 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.394 -5.679 11.762 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.945 -4.814 11.639 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.921 -6.591 11.725 1.00 0.00 H new ATOM 215 N ARG A 15 -2.026 -8.056 8.973 1.00 0.00 N ATOM 216 CA ARG A 15 -1.247 -9.224 8.552 1.00 0.00 C ATOM 217 C ARG A 15 -0.706 -9.088 7.138 1.00 0.00 C ATOM 218 O ARG A 15 0.450 -9.430 6.884 1.00 0.00 O ATOM 219 CB ARG A 15 -2.097 -10.493 8.654 1.00 0.00 C ATOM 220 CG ARG A 15 -1.311 -11.802 8.755 1.00 0.00 C ATOM 221 CD ARG A 15 0.125 -11.696 8.243 1.00 0.00 C ATOM 222 NE ARG A 15 0.931 -12.840 8.667 1.00 0.00 N ATOM 223 CZ ARG A 15 1.694 -12.852 9.759 1.00 0.00 C ATOM 224 NH1 ARG A 15 1.751 -11.791 10.555 1.00 0.00 N ATOM 225 NH2 ARG A 15 2.399 -13.934 10.061 1.00 0.00 N ATOM 0 H ARG A 15 -3.037 -8.176 8.915 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.393 -9.291 9.226 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.743 -10.408 9.528 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.747 -10.546 7.781 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.294 -12.126 9.796 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.833 -12.574 8.190 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.121 -11.636 7.155 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.577 -10.775 8.611 1.00 0.00 H new ATOM 0 HE ARG A 15 0.908 -13.681 8.091 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.208 -10.957 10.333 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.338 -11.810 11.389 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.357 -14.755 9.458 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.984 -13.945 10.897 1.00 0.00 H new ATOM 239 N TYR A 16 -1.515 -8.598 6.212 1.00 0.00 N ATOM 240 CA TYR A 16 -1.041 -8.464 4.849 1.00 0.00 C ATOM 241 C TYR A 16 0.078 -7.442 4.793 1.00 0.00 C ATOM 242 O TYR A 16 1.037 -7.614 4.049 1.00 0.00 O ATOM 243 CB TYR A 16 -2.176 -8.120 3.877 1.00 0.00 C ATOM 244 CG TYR A 16 -3.171 -9.254 3.688 1.00 0.00 C ATOM 245 CD1 TYR A 16 -2.755 -10.532 3.314 1.00 0.00 C ATOM 246 CD2 TYR A 16 -4.529 -9.049 3.889 1.00 0.00 C ATOM 247 CE1 TYR A 16 -3.663 -11.560 3.147 1.00 0.00 C ATOM 248 CE2 TYR A 16 -5.441 -10.074 3.726 1.00 0.00 C ATOM 249 CZ TYR A 16 -5.004 -11.326 3.356 1.00 0.00 C ATOM 250 OH TYR A 16 -5.911 -12.347 3.192 1.00 0.00 O ATOM 0 H TYR A 16 -2.475 -8.295 6.374 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.647 -9.428 4.526 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -2.704 -7.240 4.243 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.749 -7.856 2.910 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -1.704 -10.721 3.152 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.880 -8.069 4.178 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.323 -12.542 2.854 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.493 -9.894 3.888 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.766 -12.094 3.600 1.00 0.00 H new ATOM 260 N VAL A 17 -0.018 -6.407 5.623 1.00 0.00 N ATOM 261 CA VAL A 17 1.037 -5.396 5.676 1.00 0.00 C ATOM 262 C VAL A 17 2.329 -6.044 6.154 1.00 0.00 C ATOM 263 O VAL A 17 3.393 -5.840 5.570 1.00 0.00 O ATOM 264 CB VAL A 17 0.674 -4.194 6.588 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.919 -3.462 7.092 1.00 0.00 C ATOM 266 CG2 VAL A 17 -0.210 -3.222 5.838 1.00 0.00 C ATOM 0 H VAL A 17 -0.800 -6.246 6.258 1.00 0.00 H new ATOM 0 HA VAL A 17 1.161 -4.997 4.669 1.00 0.00 H new ATOM 0 HB VAL A 17 0.142 -4.591 7.453 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.619 -2.628 7.726 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.538 -4.151 7.667 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.488 -3.085 6.242 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.459 -2.382 6.486 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.317 -2.856 4.957 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.126 -3.726 5.530 1.00 0.00 H new ATOM 276 N ASN A 18 2.228 -6.835 7.219 1.00 0.00 N ATOM 277 CA ASN A 18 3.388 -7.517 7.765 1.00 0.00 C ATOM 278 C ASN A 18 3.880 -8.611 6.820 1.00 0.00 C ATOM 279 O ASN A 18 5.071 -8.919 6.792 1.00 0.00 O ATOM 280 CB ASN A 18 3.057 -8.118 9.133 1.00 0.00 C ATOM 281 CG ASN A 18 2.483 -7.092 10.090 1.00 0.00 C ATOM 282 OD1 ASN A 18 2.124 -5.985 9.691 1.00 0.00 O ATOM 283 ND2 ASN A 18 2.393 -7.456 11.364 1.00 0.00 N ATOM 0 H ASN A 18 1.356 -7.016 7.716 1.00 0.00 H new ATOM 0 HA ASN A 18 4.184 -6.782 7.881 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.343 -8.932 9.006 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.960 -8.550 9.565 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.014 -6.807 12.054 1.00 0.00 H new ATOM 0 HD22 ASN A 18 2.702 -8.384 11.652 1.00 0.00 H new ATOM 290 N ARG A 19 2.966 -9.208 6.056 1.00 0.00 N ATOM 291 CA ARG A 19 3.335 -10.273 5.131 1.00 0.00 C ATOM 292 C ARG A 19 3.965 -9.735 3.845 1.00 0.00 C ATOM 293 O ARG A 19 4.623 -10.476 3.118 1.00 0.00 O ATOM 294 CB ARG A 19 2.109 -11.121 4.792 1.00 0.00 C ATOM 295 CG ARG A 19 2.416 -12.603 4.706 1.00 0.00 C ATOM 296 CD ARG A 19 1.664 -13.396 5.759 1.00 0.00 C ATOM 297 NE ARG A 19 1.625 -14.823 5.449 1.00 0.00 N ATOM 298 CZ ARG A 19 2.638 -15.658 5.673 1.00 0.00 C ATOM 299 NH1 ARG A 19 3.768 -15.213 6.208 1.00 0.00 N ATOM 300 NH2 ARG A 19 2.519 -16.941 5.362 1.00 0.00 N ATOM 0 H ARG A 19 1.973 -8.973 6.060 1.00 0.00 H new ATOM 0 HA ARG A 19 4.084 -10.888 5.630 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.342 -10.958 5.549 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.695 -10.786 3.841 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.151 -12.972 3.715 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.488 -12.760 4.829 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.138 -13.249 6.730 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.646 -13.015 5.840 1.00 0.00 H new ATOM 0 HE ARG A 19 0.772 -15.202 5.037 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.864 -14.227 6.450 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.540 -15.857 6.377 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.652 -17.288 4.951 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.294 -17.581 5.533 1.00 0.00 H new ATOM 314 N LEU A 20 3.754 -8.455 3.559 1.00 0.00 N ATOM 315 CA LEU A 20 4.296 -7.845 2.347 1.00 0.00 C ATOM 316 C LEU A 20 5.812 -7.709 2.409 1.00 0.00 C ATOM 317 O LEU A 20 6.511 -8.066 1.460 1.00 0.00 O ATOM 318 CB LEU A 20 3.671 -6.470 2.110 1.00 0.00 C ATOM 319 CG LEU A 20 2.158 -6.461 1.878 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.737 -5.127 1.282 1.00 0.00 C ATOM 321 CD2 LEU A 20 1.716 -7.605 0.967 1.00 0.00 C ATOM 0 H LEU A 20 3.214 -7.820 4.147 1.00 0.00 H new ATOM 0 HA LEU A 20 4.046 -8.507 1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.892 -5.837 2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.155 -6.015 1.246 1.00 0.00 H new ATOM 0 HG LEU A 20 1.671 -6.602 2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.659 -5.125 1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.001 -4.322 1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.248 -4.976 0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.636 -7.563 0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.210 -7.512 0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.986 -8.558 1.422 1.00 0.00 H new ATOM 333 N CYS A 21 6.321 -7.192 3.521 1.00 0.00 N ATOM 334 CA CYS A 21 7.762 -7.015 3.679 1.00 0.00 C ATOM 335 C CYS A 21 8.481 -8.338 3.468 1.00 0.00 C ATOM 336 O CYS A 21 9.546 -8.395 2.859 1.00 0.00 O ATOM 337 CB CYS A 21 8.088 -6.462 5.067 1.00 0.00 C ATOM 338 SG CYS A 21 7.595 -7.552 6.422 1.00 0.00 S ATOM 0 H CYS A 21 5.765 -6.890 4.321 1.00 0.00 H new ATOM 0 HA CYS A 21 8.103 -6.301 2.930 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.161 -6.279 5.132 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.593 -5.499 5.189 1.00 0.00 H new ATOM 0 HG CYS A 21 6.346 -7.883 6.280 1.00 0.00 H new ATOM 344 N LYS A 22 7.878 -9.402 3.968 1.00 0.00 N ATOM 345 CA LYS A 22 8.443 -10.734 3.828 1.00 0.00 C ATOM 346 C LYS A 22 8.155 -11.294 2.435 1.00 0.00 C ATOM 347 O LYS A 22 8.827 -12.217 1.974 1.00 0.00 O ATOM 348 CB LYS A 22 7.874 -11.663 4.900 1.00 0.00 C ATOM 349 CG LYS A 22 8.118 -11.179 6.326 1.00 0.00 C ATOM 350 CD LYS A 22 6.869 -11.319 7.181 1.00 0.00 C ATOM 351 CE LYS A 22 6.573 -12.775 7.494 1.00 0.00 C ATOM 352 NZ LYS A 22 7.490 -13.318 8.534 1.00 0.00 N ATOM 0 H LYS A 22 6.994 -9.370 4.476 1.00 0.00 H new ATOM 0 HA LYS A 22 9.523 -10.668 3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.801 -11.771 4.742 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.315 -12.653 4.782 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.932 -11.751 6.772 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.434 -10.136 6.309 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.998 -10.764 8.110 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.019 -10.877 6.661 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.542 -12.871 7.834 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.665 -13.368 6.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.202 -14.287 8.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.463 -13.329 8.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.447 -12.718 9.382 1.00 0.00 H new ATOM 366 N HIS A 23 7.142 -10.733 1.775 1.00 0.00 N ATOM 367 CA HIS A 23 6.749 -11.176 0.441 1.00 0.00 C ATOM 368 C HIS A 23 7.575 -10.508 -0.656 1.00 0.00 C ATOM 369 O HIS A 23 8.264 -11.187 -1.417 1.00 0.00 O ATOM 370 CB HIS A 23 5.264 -10.901 0.204 1.00 0.00 C ATOM 371 CG HIS A 23 4.709 -11.609 -0.993 1.00 0.00 C ATOM 372 ND1 HIS A 23 5.024 -11.256 -2.290 1.00 0.00 N ATOM 373 CD2 HIS A 23 3.857 -12.656 -1.088 1.00 0.00 C ATOM 374 CE1 HIS A 23 4.388 -12.054 -3.128 1.00 0.00 C ATOM 375 NE2 HIS A 23 3.674 -12.914 -2.424 1.00 0.00 N ATOM 0 H HIS A 23 6.578 -9.968 2.146 1.00 0.00 H new ATOM 0 HA HIS A 23 6.937 -12.249 0.394 1.00 0.00 H new ATOM 0 HB2 HIS A 23 4.701 -11.202 1.088 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.116 -9.828 0.082 1.00 0.00 H new ATOM 0 HD1 HIS A 23 5.650 -10.497 -2.559 1.00 0.00 H new ATOM 0 HD2 HIS A 23 3.405 -13.190 -0.265 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.442 -12.011 -4.206 1.00 0.00 H new ATOM 384 N TRP A 24 7.489 -9.179 -0.758 1.00 0.00 N ATOM 385 CA TRP A 24 8.222 -8.459 -1.793 1.00 0.00 C ATOM 386 C TRP A 24 9.643 -8.111 -1.347 1.00 0.00 C ATOM 387 O TRP A 24 10.466 -7.702 -2.166 1.00 0.00 O ATOM 388 CB TRP A 24 7.467 -7.190 -2.186 1.00 0.00 C ATOM 389 CG TRP A 24 6.146 -7.463 -2.838 1.00 0.00 C ATOM 390 CD1 TRP A 24 5.017 -7.940 -2.236 1.00 0.00 C ATOM 391 CD2 TRP A 24 5.818 -7.277 -4.220 1.00 0.00 C ATOM 392 NE1 TRP A 24 4.007 -8.061 -3.159 1.00 0.00 N ATOM 393 CE2 TRP A 24 4.473 -7.661 -4.385 1.00 0.00 C ATOM 394 CE3 TRP A 24 6.530 -6.823 -5.334 1.00 0.00 C ATOM 395 CZ2 TRP A 24 3.828 -7.603 -5.617 1.00 0.00 C ATOM 396 CZ3 TRP A 24 5.888 -6.766 -6.557 1.00 0.00 C ATOM 397 CH2 TRP A 24 4.549 -7.154 -6.690 1.00 0.00 C ATOM 0 H TRP A 24 6.926 -8.590 -0.144 1.00 0.00 H new ATOM 0 HA TRP A 24 8.301 -9.116 -2.659 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.306 -6.581 -1.296 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.085 -6.604 -2.866 1.00 0.00 H new ATOM 0 HD1 TRP A 24 4.931 -8.186 -1.188 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.063 -8.394 -2.964 1.00 0.00 H new ATOM 0 HE3 TRP A 24 7.563 -6.522 -5.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 2.795 -7.902 -5.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 6.428 -6.416 -7.424 1.00 0.00 H new ATOM 0 HH2 TRP A 24 4.076 -7.098 -7.659 1.00 0.00 H new ATOM 408 N GLY A 25 9.936 -8.273 -0.053 1.00 0.00 N ATOM 409 CA GLY A 25 11.268 -7.966 0.441 1.00 0.00 C ATOM 410 C GLY A 25 12.314 -8.942 -0.059 1.00 0.00 C ATOM 411 O GLY A 25 12.910 -9.678 0.727 1.00 0.00 O ATOM 0 H GLY A 25 9.280 -8.608 0.653 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.542 -6.957 0.134 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.259 -7.976 1.531 1.00 0.00 H new ATOM 415 N HIS A 26 12.538 -8.952 -1.368 1.00 0.00 N ATOM 416 CA HIS A 26 13.519 -9.848 -1.966 1.00 0.00 C ATOM 417 C HIS A 26 14.719 -9.065 -2.488 1.00 0.00 C ATOM 418 O HIS A 26 15.842 -9.568 -2.501 1.00 0.00 O ATOM 419 CB HIS A 26 12.881 -10.651 -3.104 1.00 0.00 C ATOM 420 CG HIS A 26 12.813 -12.121 -2.832 1.00 0.00 C ATOM 421 ND1 HIS A 26 13.407 -13.065 -3.643 1.00 0.00 N ATOM 422 CD2 HIS A 26 12.219 -12.810 -1.829 1.00 0.00 C ATOM 423 CE1 HIS A 26 13.179 -14.270 -3.153 1.00 0.00 C ATOM 424 NE2 HIS A 26 12.461 -14.144 -2.053 1.00 0.00 N ATOM 0 H HIS A 26 12.054 -8.350 -2.034 1.00 0.00 H new ATOM 0 HA HIS A 26 13.865 -10.538 -1.196 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.873 -10.276 -3.283 1.00 0.00 H new ATOM 0 HB3 HIS A 26 13.450 -10.485 -4.019 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.659 -12.390 -1.006 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.522 -15.201 -3.580 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.138 -14.912 -1.465 1.00 0.00 H new ATOM 433 N LYS A 27 14.474 -7.833 -2.920 1.00 0.00 N ATOM 434 CA LYS A 27 15.538 -6.984 -3.446 1.00 0.00 C ATOM 435 C LYS A 27 15.252 -5.512 -3.139 1.00 0.00 C ATOM 436 O LYS A 27 15.787 -4.615 -3.786 1.00 0.00 O ATOM 437 CB LYS A 27 15.672 -7.218 -4.958 1.00 0.00 C ATOM 438 CG LYS A 27 16.604 -6.249 -5.676 1.00 0.00 C ATOM 439 CD LYS A 27 15.818 -5.228 -6.484 1.00 0.00 C ATOM 440 CE LYS A 27 16.348 -3.817 -6.287 1.00 0.00 C ATOM 441 NZ LYS A 27 16.305 -3.027 -7.549 1.00 0.00 N ATOM 0 H LYS A 27 13.550 -7.400 -2.917 1.00 0.00 H new ATOM 0 HA LYS A 27 16.481 -7.243 -2.964 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.030 -8.234 -5.124 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.683 -7.151 -5.411 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.231 -5.735 -4.947 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.271 -6.803 -6.336 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.865 -5.489 -7.541 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.768 -5.265 -6.193 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.759 -3.311 -5.522 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.374 -3.862 -5.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.985 -2.243 -7.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.552 -3.641 -8.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.348 -2.645 -7.687 1.00 0.00 H new ATOM 455 N PHE A 28 14.407 -5.265 -2.142 1.00 0.00 N ATOM 456 CA PHE A 28 14.067 -3.902 -1.764 1.00 0.00 C ATOM 457 C PHE A 28 13.982 -3.757 -0.253 1.00 0.00 C ATOM 458 O PHE A 28 13.792 -4.736 0.469 1.00 0.00 O ATOM 459 CB PHE A 28 12.745 -3.489 -2.408 1.00 0.00 C ATOM 460 CG PHE A 28 12.877 -3.142 -3.861 1.00 0.00 C ATOM 461 CD1 PHE A 28 13.315 -1.886 -4.250 1.00 0.00 C ATOM 462 CD2 PHE A 28 12.566 -4.072 -4.840 1.00 0.00 C ATOM 463 CE1 PHE A 28 13.441 -1.565 -5.588 1.00 0.00 C ATOM 464 CE2 PHE A 28 12.688 -3.757 -6.179 1.00 0.00 C ATOM 465 CZ PHE A 28 13.126 -2.501 -6.554 1.00 0.00 C ATOM 0 H PHE A 28 13.949 -5.987 -1.586 1.00 0.00 H new ATOM 0 HA PHE A 28 14.859 -3.245 -2.124 1.00 0.00 H new ATOM 0 HB2 PHE A 28 12.026 -4.301 -2.299 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.340 -2.631 -1.872 1.00 0.00 H new ATOM 0 HD1 PHE A 28 13.561 -1.150 -3.499 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.224 -5.055 -4.552 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.785 -0.583 -5.878 1.00 0.00 H new ATOM 0 HE2 PHE A 28 12.442 -4.491 -6.932 1.00 0.00 H new ATOM 0 HZ PHE A 28 13.222 -2.252 -7.600 1.00 0.00 H new ATOM 475 N GLU A 29 14.122 -2.525 0.218 1.00 0.00 N ATOM 476 CA GLU A 29 14.060 -2.246 1.646 1.00 0.00 C ATOM 477 C GLU A 29 12.615 -2.239 2.124 1.00 0.00 C ATOM 478 O GLU A 29 11.845 -1.339 1.789 1.00 0.00 O ATOM 479 CB GLU A 29 14.718 -0.903 1.957 1.00 0.00 C ATOM 480 CG GLU A 29 14.290 0.212 1.022 1.00 0.00 C ATOM 481 CD GLU A 29 15.370 0.588 0.028 1.00 0.00 C ATOM 482 OE1 GLU A 29 16.198 1.465 0.353 1.00 0.00 O ATOM 483 OE2 GLU A 29 15.388 0.005 -1.078 1.00 0.00 O ATOM 0 H GLU A 29 14.279 -1.704 -0.367 1.00 0.00 H new ATOM 0 HA GLU A 29 14.601 -3.033 2.172 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.479 -0.619 2.982 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.801 -1.017 1.902 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.395 -0.096 0.481 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.021 1.090 1.609 1.00 0.00 H new ATOM 490 N VAL A 30 12.249 -3.250 2.902 1.00 0.00 N ATOM 491 CA VAL A 30 10.890 -3.359 3.414 1.00 0.00 C ATOM 492 C VAL A 30 10.867 -3.363 4.939 1.00 0.00 C ATOM 493 O VAL A 30 11.401 -4.273 5.574 1.00 0.00 O ATOM 494 CB VAL A 30 10.182 -4.637 2.901 1.00 0.00 C ATOM 495 CG1 VAL A 30 9.269 -4.330 1.723 1.00 0.00 C ATOM 496 CG2 VAL A 30 11.194 -5.708 2.522 1.00 0.00 C ATOM 0 H VAL A 30 12.872 -4.004 3.191 1.00 0.00 H new ATOM 0 HA VAL A 30 10.355 -2.484 3.046 1.00 0.00 H new ATOM 0 HB VAL A 30 9.567 -5.018 3.716 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.787 -5.248 1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.508 -3.612 2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.857 -3.909 0.907 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.669 -6.594 2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.846 -5.330 1.734 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.793 -5.968 3.395 1.00 0.00 H new ATOM 506 N GLU A 31 10.231 -2.349 5.523 1.00 0.00 N ATOM 507 CA GLU A 31 10.126 -2.251 6.972 1.00 0.00 C ATOM 508 C GLU A 31 8.831 -2.899 7.448 1.00 0.00 C ATOM 509 O GLU A 31 7.848 -2.955 6.708 1.00 0.00 O ATOM 510 CB GLU A 31 10.178 -0.785 7.413 1.00 0.00 C ATOM 511 CG GLU A 31 11.381 -0.453 8.280 1.00 0.00 C ATOM 512 CD GLU A 31 11.830 0.987 8.128 1.00 0.00 C ATOM 513 OE1 GLU A 31 10.956 1.875 8.043 1.00 0.00 O ATOM 514 OE2 GLU A 31 13.055 1.226 8.094 1.00 0.00 O ATOM 0 H GLU A 31 9.783 -1.587 5.014 1.00 0.00 H new ATOM 0 HA GLU A 31 10.969 -2.778 7.420 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.191 -0.148 6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.267 -0.547 7.963 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.135 -0.645 9.325 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.206 -1.116 8.020 1.00 0.00 H new ATOM 521 N LEU A 32 8.834 -3.394 8.679 1.00 0.00 N ATOM 522 CA LEU A 32 7.651 -4.045 9.236 1.00 0.00 C ATOM 523 C LEU A 32 7.392 -3.579 10.663 1.00 0.00 C ATOM 524 O LEU A 32 8.112 -3.947 11.591 1.00 0.00 O ATOM 525 CB LEU A 32 7.825 -5.570 9.200 1.00 0.00 C ATOM 526 CG LEU A 32 6.548 -6.415 9.366 1.00 0.00 C ATOM 527 CD1 LEU A 32 6.912 -7.850 9.718 1.00 0.00 C ATOM 528 CD2 LEU A 32 5.632 -5.830 10.436 1.00 0.00 C ATOM 0 H LEU A 32 9.636 -3.359 9.309 1.00 0.00 H new ATOM 0 HA LEU A 32 6.790 -3.769 8.628 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.289 -5.837 8.251 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.524 -5.852 9.987 1.00 0.00 H new ATOM 0 HG LEU A 32 6.011 -6.403 8.418 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.002 -8.438 9.833 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.522 -8.277 8.921 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.474 -7.864 10.652 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.740 -6.449 10.529 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.157 -5.805 11.391 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.343 -4.817 10.154 1.00 0.00 H new ATOM 540 N THR A 33 6.342 -2.786 10.828 1.00 0.00 N ATOM 541 CA THR A 33 5.958 -2.285 12.141 1.00 0.00 C ATOM 542 C THR A 33 4.475 -2.547 12.355 1.00 0.00 C ATOM 543 O THR A 33 3.755 -2.852 11.405 1.00 0.00 O ATOM 544 CB THR A 33 6.247 -0.786 12.246 1.00 0.00 C ATOM 545 OG1 THR A 33 6.182 -0.173 10.971 1.00 0.00 O ATOM 546 CG2 THR A 33 7.608 -0.479 12.834 1.00 0.00 C ATOM 0 H THR A 33 5.739 -2.475 10.066 1.00 0.00 H new ATOM 0 HA THR A 33 6.537 -2.799 12.908 1.00 0.00 H new ATOM 0 HB THR A 33 5.482 -0.390 12.914 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.368 0.785 11.059 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.749 0.601 12.880 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.673 -0.897 13.839 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.383 -0.920 12.207 1.00 0.00 H new ATOM 554 N PRO A 34 3.985 -2.430 13.593 1.00 0.00 N ATOM 555 CA PRO A 34 2.574 -2.655 13.888 1.00 0.00 C ATOM 556 C PRO A 34 1.722 -1.467 13.483 1.00 0.00 C ATOM 557 O PRO A 34 0.922 -0.959 14.270 1.00 0.00 O ATOM 558 CB PRO A 34 2.560 -2.844 15.395 1.00 0.00 C ATOM 559 CG PRO A 34 3.722 -2.053 15.893 1.00 0.00 C ATOM 560 CD PRO A 34 4.754 -2.060 14.793 1.00 0.00 C ATOM 0 HA PRO A 34 2.161 -3.503 13.342 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.625 -2.489 15.829 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.655 -3.897 15.662 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.421 -1.034 16.135 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.126 -2.491 16.806 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.226 -1.084 14.681 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.550 -2.777 14.995 1.00 0.00 H new ATOM 568 N GLU A 35 1.910 -1.026 12.248 1.00 0.00 N ATOM 569 CA GLU A 35 1.176 0.111 11.721 1.00 0.00 C ATOM 570 C GLU A 35 1.148 0.110 10.190 1.00 0.00 C ATOM 571 O GLU A 35 0.120 0.424 9.591 1.00 0.00 O ATOM 572 CB GLU A 35 1.788 1.419 12.238 1.00 0.00 C ATOM 573 CG GLU A 35 1.813 1.519 13.753 1.00 0.00 C ATOM 574 CD GLU A 35 2.182 2.907 14.240 1.00 0.00 C ATOM 575 OE1 GLU A 35 3.346 3.316 14.038 1.00 0.00 O ATOM 576 OE2 GLU A 35 1.310 3.583 14.823 1.00 0.00 O ATOM 0 H GLU A 35 2.569 -1.442 11.590 1.00 0.00 H new ATOM 0 HA GLU A 35 0.146 0.031 12.069 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.806 1.509 11.859 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.222 2.259 11.836 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.834 1.248 14.147 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.527 0.797 14.149 1.00 0.00 H new ATOM 583 N ARG A 36 2.272 -0.231 9.549 1.00 0.00 N ATOM 584 CA ARG A 36 2.320 -0.244 8.093 1.00 0.00 C ATOM 585 C ARG A 36 3.592 -0.883 7.550 1.00 0.00 C ATOM 586 O ARG A 36 4.556 -1.121 8.279 1.00 0.00 O ATOM 587 CB ARG A 36 2.212 1.180 7.553 1.00 0.00 C ATOM 588 CG ARG A 36 3.251 2.122 8.136 1.00 0.00 C ATOM 589 CD ARG A 36 2.680 3.510 8.366 1.00 0.00 C ATOM 590 NE ARG A 36 2.287 3.718 9.758 1.00 0.00 N ATOM 591 CZ ARG A 36 1.857 4.882 10.241 1.00 0.00 C ATOM 592 NH1 ARG A 36 1.760 5.942 9.448 1.00 0.00 N ATOM 593 NH2 ARG A 36 1.521 4.985 11.520 1.00 0.00 N ATOM 0 H ARG A 36 3.142 -0.496 10.010 1.00 0.00 H new ATOM 0 HA ARG A 36 1.476 -0.847 7.759 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.318 1.159 6.468 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.217 1.569 7.769 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.620 1.719 9.079 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.104 2.186 7.461 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.421 4.258 8.083 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.815 3.658 7.719 1.00 0.00 H new ATOM 0 HE ARG A 36 2.345 2.925 10.397 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.015 5.867 8.463 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.430 6.831 9.823 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.592 4.173 12.133 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.192 5.876 11.891 1.00 0.00 H new ATOM 607 N GLY A 37 3.583 -1.120 6.240 1.00 0.00 N ATOM 608 CA GLY A 37 4.728 -1.690 5.561 1.00 0.00 C ATOM 609 C GLY A 37 5.389 -0.646 4.661 1.00 0.00 C ATOM 610 O GLY A 37 4.749 -0.139 3.738 1.00 0.00 O ATOM 0 H GLY A 37 2.788 -0.923 5.632 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.448 -2.056 6.293 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.415 -2.547 4.965 1.00 0.00 H new ATOM 614 N PHE A 38 6.649 -0.300 4.926 1.00 0.00 N ATOM 615 CA PHE A 38 7.351 0.706 4.135 1.00 0.00 C ATOM 616 C PHE A 38 8.263 0.040 3.116 1.00 0.00 C ATOM 617 O PHE A 38 9.083 -0.808 3.460 1.00 0.00 O ATOM 618 CB PHE A 38 8.153 1.604 5.080 1.00 0.00 C ATOM 619 CG PHE A 38 8.930 2.713 4.418 1.00 0.00 C ATOM 620 CD1 PHE A 38 8.278 3.763 3.785 1.00 0.00 C ATOM 621 CD2 PHE A 38 10.318 2.725 4.463 1.00 0.00 C ATOM 622 CE1 PHE A 38 8.994 4.795 3.209 1.00 0.00 C ATOM 623 CE2 PHE A 38 11.036 3.757 3.892 1.00 0.00 C ATOM 624 CZ PHE A 38 10.374 4.794 3.265 1.00 0.00 C ATOM 0 H PHE A 38 7.203 -0.702 5.682 1.00 0.00 H new ATOM 0 HA PHE A 38 6.630 1.312 3.586 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.467 2.046 5.803 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.849 0.981 5.641 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.199 3.773 3.742 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.843 1.917 4.951 1.00 0.00 H new ATOM 0 HE1 PHE A 38 8.474 5.603 2.715 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.115 3.753 3.936 1.00 0.00 H new ATOM 0 HZ PHE A 38 10.934 5.603 2.819 1.00 0.00 H new ATOM 634 N ILE A 39 8.107 0.434 1.861 1.00 0.00 N ATOM 635 CA ILE A 39 8.912 -0.121 0.774 1.00 0.00 C ATOM 636 C ILE A 39 9.349 0.991 -0.172 1.00 0.00 C ATOM 637 O ILE A 39 8.551 1.468 -0.979 1.00 0.00 O ATOM 638 CB ILE A 39 8.135 -1.181 -0.049 1.00 0.00 C ATOM 639 CG1 ILE A 39 7.172 -1.991 0.846 1.00 0.00 C ATOM 640 CG2 ILE A 39 9.117 -2.100 -0.775 1.00 0.00 C ATOM 641 CD1 ILE A 39 6.709 -3.306 0.245 1.00 0.00 C ATOM 0 H ILE A 39 7.430 1.137 1.566 1.00 0.00 H new ATOM 0 HA ILE A 39 9.775 -0.601 1.234 1.00 0.00 H new ATOM 0 HB ILE A 39 7.527 -0.664 -0.792 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.665 -2.194 1.797 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.297 -1.378 1.065 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.563 -2.842 -1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.739 -1.509 -1.447 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.750 -2.605 -0.045 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.037 -3.808 0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.185 -3.114 -0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.573 -3.942 0.053 1.00 0.00 H new ATOM 704 N SER A 44 10.840 6.807 -5.277 1.00 0.00 N ATOM 705 CA SER A 44 9.432 6.438 -5.153 1.00 0.00 C ATOM 706 C SER A 44 9.254 5.551 -3.917 1.00 0.00 C ATOM 707 O SER A 44 10.222 4.960 -3.440 1.00 0.00 O ATOM 708 CB SER A 44 8.971 5.707 -6.421 1.00 0.00 C ATOM 709 OG SER A 44 10.058 5.057 -7.057 1.00 0.00 O ATOM 0 HA SER A 44 8.822 7.334 -5.037 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.205 4.975 -6.165 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.515 6.418 -7.110 1.00 0.00 H new ATOM 0 HG SER A 44 10.900 5.366 -6.663 1.00 0.00 H new ATOM 715 N ASN A 45 8.034 5.462 -3.386 1.00 0.00 N ATOM 716 CA ASN A 45 7.795 4.648 -2.198 1.00 0.00 C ATOM 717 C ASN A 45 6.374 4.100 -2.194 1.00 0.00 C ATOM 718 O ASN A 45 5.537 4.514 -2.995 1.00 0.00 O ATOM 719 CB ASN A 45 8.039 5.465 -0.917 1.00 0.00 C ATOM 720 CG ASN A 45 9.093 6.546 -1.085 1.00 0.00 C ATOM 721 OD1 ASN A 45 9.000 7.391 -1.974 1.00 0.00 O ATOM 722 ND2 ASN A 45 10.099 6.529 -0.220 1.00 0.00 N ATOM 0 H ASN A 45 7.209 5.936 -3.754 1.00 0.00 H new ATOM 0 HA ASN A 45 8.495 3.813 -2.222 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.102 5.926 -0.605 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.345 4.791 -0.117 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.833 7.235 -0.278 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.138 5.810 0.503 1.00 0.00 H new ATOM 729 N CYS A 46 6.104 3.170 -1.282 1.00 0.00 N ATOM 730 CA CYS A 46 4.784 2.574 -1.174 1.00 0.00 C ATOM 731 C CYS A 46 4.530 2.111 0.257 1.00 0.00 C ATOM 732 O CYS A 46 5.032 1.071 0.681 1.00 0.00 O ATOM 733 CB CYS A 46 4.642 1.389 -2.137 1.00 0.00 C ATOM 734 SG CYS A 46 6.209 0.670 -2.693 1.00 0.00 S ATOM 0 H CYS A 46 6.784 2.816 -0.609 1.00 0.00 H new ATOM 0 HA CYS A 46 4.046 3.330 -1.442 1.00 0.00 H new ATOM 0 HB2 CYS A 46 4.054 0.611 -1.649 1.00 0.00 H new ATOM 0 HB3 CYS A 46 4.078 1.715 -3.011 1.00 0.00 H new ATOM 0 HG CYS A 46 7.150 0.974 -1.849 1.00 0.00 H new ATOM 740 N GLU A 47 3.750 2.890 0.996 1.00 0.00 N ATOM 741 CA GLU A 47 3.430 2.562 2.378 1.00 0.00 C ATOM 742 C GLU A 47 2.021 1.982 2.462 1.00 0.00 C ATOM 743 O GLU A 47 1.172 2.281 1.623 1.00 0.00 O ATOM 744 CB GLU A 47 3.558 3.822 3.248 1.00 0.00 C ATOM 745 CG GLU A 47 4.005 3.573 4.687 1.00 0.00 C ATOM 746 CD GLU A 47 4.746 4.759 5.271 1.00 0.00 C ATOM 747 OE1 GLU A 47 4.366 5.909 4.962 1.00 0.00 O ATOM 748 OE2 GLU A 47 5.706 4.540 6.038 1.00 0.00 O ATOM 0 H GLU A 47 3.327 3.755 0.660 1.00 0.00 H new ATOM 0 HA GLU A 47 4.129 1.812 2.748 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.268 4.500 2.775 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.595 4.332 3.266 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.133 3.352 5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.648 2.694 4.719 1.00 0.00 H new ATOM 755 N LEU A 48 1.777 1.147 3.466 1.00 0.00 N ATOM 756 CA LEU A 48 0.461 0.530 3.628 1.00 0.00 C ATOM 757 C LEU A 48 0.087 0.430 5.102 1.00 0.00 C ATOM 758 O LEU A 48 0.719 -0.298 5.862 1.00 0.00 O ATOM 759 CB LEU A 48 0.430 -0.863 2.964 1.00 0.00 C ATOM 760 CG LEU A 48 -0.905 -1.622 3.043 1.00 0.00 C ATOM 761 CD1 LEU A 48 -2.089 -0.691 2.826 1.00 0.00 C ATOM 762 CD2 LEU A 48 -0.934 -2.757 2.028 1.00 0.00 C ATOM 0 H LEU A 48 2.463 0.883 4.173 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.275 1.164 3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.697 -0.748 1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.202 -1.479 3.424 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.988 -2.042 4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.016 -1.261 2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.087 0.084 3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.013 -0.229 1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.886 -3.283 2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.817 -2.350 1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.120 -3.451 2.235 1.00 0.00 H new ATOM 774 N LEU A 49 -0.961 1.155 5.492 1.00 0.00 N ATOM 775 CA LEU A 49 -1.431 1.132 6.883 1.00 0.00 C ATOM 776 C LEU A 49 -2.423 0.000 7.053 1.00 0.00 C ATOM 777 O LEU A 49 -3.327 -0.160 6.238 1.00 0.00 O ATOM 778 CB LEU A 49 -2.076 2.462 7.284 1.00 0.00 C ATOM 779 CG LEU A 49 -2.119 2.728 8.793 1.00 0.00 C ATOM 780 CD1 LEU A 49 -1.061 3.748 9.186 1.00 0.00 C ATOM 781 CD2 LEU A 49 -3.501 3.206 9.210 1.00 0.00 C ATOM 0 H LEU A 49 -1.499 1.762 4.873 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.571 0.977 7.535 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.531 3.274 6.802 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.094 2.487 6.896 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.906 1.794 9.313 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.107 3.924 10.261 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.074 3.368 8.922 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.243 4.683 8.657 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.514 3.390 10.284 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.742 4.128 8.681 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.239 2.443 8.964 1.00 0.00 H new ATOM 793 N ALA A 50 -2.236 -0.810 8.086 1.00 0.00 N ATOM 794 CA ALA A 50 -3.115 -1.947 8.295 1.00 0.00 C ATOM 795 C ALA A 50 -3.505 -2.157 9.752 1.00 0.00 C ATOM 796 O ALA A 50 -2.668 -2.472 10.598 1.00 0.00 O ATOM 797 CB ALA A 50 -2.455 -3.192 7.747 1.00 0.00 C ATOM 0 H ALA A 50 -1.496 -0.703 8.780 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.043 -1.736 7.763 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.110 -4.049 7.901 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.268 -3.065 6.681 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.510 -3.360 8.264 1.00 0.00 H new ATOM 803 N HIS A 51 -4.799 -2.014 10.020 1.00 0.00 N ATOM 804 CA HIS A 51 -5.345 -2.218 11.338 1.00 0.00 C ATOM 805 C HIS A 51 -6.344 -3.382 11.293 1.00 0.00 C ATOM 806 O HIS A 51 -6.774 -3.801 10.221 1.00 0.00 O ATOM 807 CB HIS A 51 -5.997 -0.926 11.848 1.00 0.00 C ATOM 808 CG HIS A 51 -5.646 -0.597 13.268 1.00 0.00 C ATOM 809 ND1 HIS A 51 -6.535 -0.015 14.147 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.497 -0.778 13.965 1.00 0.00 C ATOM 811 CE1 HIS A 51 -5.949 0.152 15.319 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.713 -0.304 15.236 1.00 0.00 N ATOM 0 H HIS A 51 -5.493 -1.752 9.320 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.549 -2.475 12.037 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.694 -0.098 11.207 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.080 -1.017 11.762 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -7.496 0.246 13.926 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.582 -1.214 13.591 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.404 0.588 16.196 1.00 0.00 H new ATOM 821 N PRO A 52 -6.700 -3.935 12.456 1.00 0.00 N ATOM 822 CA PRO A 52 -7.619 -5.076 12.565 1.00 0.00 C ATOM 823 C PRO A 52 -8.892 -4.954 11.726 1.00 0.00 C ATOM 824 O PRO A 52 -9.545 -5.962 11.455 1.00 0.00 O ATOM 825 CB PRO A 52 -7.961 -5.098 14.052 1.00 0.00 C ATOM 826 CG PRO A 52 -6.751 -4.541 14.710 1.00 0.00 C ATOM 827 CD PRO A 52 -6.210 -3.502 13.766 1.00 0.00 C ATOM 0 HA PRO A 52 -7.154 -5.985 12.185 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.844 -4.497 14.267 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.173 -6.110 14.398 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.999 -4.100 15.675 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.013 -5.322 14.896 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.570 -2.505 14.019 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.121 -3.464 13.794 1.00 0.00 H new ATOM 835 N ASP A 53 -9.266 -3.740 11.322 1.00 0.00 N ATOM 836 CA ASP A 53 -10.484 -3.578 10.534 1.00 0.00 C ATOM 837 C ASP A 53 -10.389 -2.488 9.470 1.00 0.00 C ATOM 838 O ASP A 53 -11.366 -2.240 8.763 1.00 0.00 O ATOM 839 CB ASP A 53 -11.676 -3.303 11.453 1.00 0.00 C ATOM 840 CG ASP A 53 -12.985 -3.785 10.861 1.00 0.00 C ATOM 841 OD1 ASP A 53 -12.948 -4.658 9.969 1.00 0.00 O ATOM 842 OD2 ASP A 53 -14.048 -3.290 11.289 1.00 0.00 O ATOM 0 H ASP A 53 -8.759 -2.878 11.521 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.625 -4.519 10.001 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.512 -3.793 12.413 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.741 -2.233 11.649 1.00 0.00 H new ATOM 847 N HIS A 54 -9.231 -1.860 9.313 1.00 0.00 N ATOM 848 CA HIS A 54 -9.096 -0.844 8.274 1.00 0.00 C ATOM 849 C HIS A 54 -7.691 -0.825 7.681 1.00 0.00 C ATOM 850 O HIS A 54 -6.732 -1.257 8.322 1.00 0.00 O ATOM 851 CB HIS A 54 -9.485 0.545 8.784 1.00 0.00 C ATOM 852 CG HIS A 54 -8.702 1.006 9.973 1.00 0.00 C ATOM 853 ND1 HIS A 54 -7.478 1.630 9.870 1.00 0.00 N ATOM 854 CD2 HIS A 54 -8.987 0.953 11.295 1.00 0.00 C ATOM 855 CE1 HIS A 54 -7.042 1.940 11.078 1.00 0.00 C ATOM 856 NE2 HIS A 54 -7.939 1.542 11.962 1.00 0.00 N ATOM 0 H HIS A 54 -8.394 -2.027 9.872 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.791 -1.115 7.480 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.355 1.265 7.976 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.544 0.542 9.040 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -6.986 1.822 8.998 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.873 0.527 11.743 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -6.109 2.435 11.304 1.00 0.00 H new ATOM 865 N VAL A 55 -7.572 -0.328 6.447 1.00 0.00 N ATOM 866 CA VAL A 55 -6.289 -0.265 5.774 1.00 0.00 C ATOM 867 C VAL A 55 -6.140 1.053 5.019 1.00 0.00 C ATOM 868 O VAL A 55 -7.072 1.519 4.365 1.00 0.00 O ATOM 869 CB VAL A 55 -6.113 -1.460 4.805 1.00 0.00 C ATOM 870 CG1 VAL A 55 -6.632 -1.142 3.409 1.00 0.00 C ATOM 871 CG2 VAL A 55 -4.661 -1.908 4.750 1.00 0.00 C ATOM 0 H VAL A 55 -8.353 0.034 5.901 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.509 -0.321 6.534 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.713 -2.282 5.197 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.489 -2.007 2.762 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.693 -0.900 3.462 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.086 -0.291 3.003 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.565 -2.748 4.062 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.039 -1.083 4.404 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.337 -2.214 5.745 1.00 0.00 H new ATOM 881 N LEU A 56 -4.958 1.640 5.111 1.00 0.00 N ATOM 882 CA LEU A 56 -4.671 2.902 4.431 1.00 0.00 C ATOM 883 C LEU A 56 -3.542 2.696 3.432 1.00 0.00 C ATOM 884 O LEU A 56 -2.605 1.945 3.694 1.00 0.00 O ATOM 885 CB LEU A 56 -4.289 3.997 5.446 1.00 0.00 C ATOM 886 CG LEU A 56 -5.260 5.180 5.569 1.00 0.00 C ATOM 887 CD1 LEU A 56 -4.780 6.149 6.640 1.00 0.00 C ATOM 888 CD2 LEU A 56 -5.427 5.907 4.238 1.00 0.00 C ATOM 0 H LEU A 56 -4.177 1.265 5.650 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.567 3.227 3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.189 3.534 6.427 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.308 4.387 5.176 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.233 4.782 5.858 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.478 6.983 6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.725 5.633 7.599 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.793 6.526 6.373 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.121 6.738 4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.460 6.287 3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.819 5.215 3.492 1.00 0.00 H new ATOM 900 N MET A 57 -3.636 3.351 2.286 1.00 0.00 N ATOM 901 CA MET A 57 -2.615 3.211 1.258 1.00 0.00 C ATOM 902 C MET A 57 -2.066 4.572 0.842 1.00 0.00 C ATOM 903 O MET A 57 -2.783 5.385 0.261 1.00 0.00 O ATOM 904 CB MET A 57 -3.198 2.458 0.059 1.00 0.00 C ATOM 905 CG MET A 57 -4.111 1.312 0.474 1.00 0.00 C ATOM 906 SD MET A 57 -4.830 0.449 -0.937 1.00 0.00 S ATOM 907 CE MET A 57 -6.576 0.725 -0.650 1.00 0.00 C ATOM 0 H MET A 57 -4.402 3.980 2.044 1.00 0.00 H new ATOM 0 HA MET A 57 -1.781 2.637 1.662 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.757 3.155 -0.566 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.383 2.066 -0.550 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.545 0.603 1.079 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.912 1.700 1.104 1.00 0.00 H new ATOM 0 HE1 MET A 57 -7.138 0.458 -1.545 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.909 0.109 0.185 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.745 1.776 -0.416 1.00 0.00 H new ATOM 917 N ILE A 58 -0.786 4.816 1.140 1.00 0.00 N ATOM 918 CA ILE A 58 -0.149 6.073 0.795 1.00 0.00 C ATOM 919 C ILE A 58 1.101 5.827 -0.038 1.00 0.00 C ATOM 920 O ILE A 58 1.878 4.919 0.253 1.00 0.00 O ATOM 921 CB ILE A 58 0.252 6.869 2.056 1.00 0.00 C ATOM 922 CG1 ILE A 58 -0.947 7.041 3.004 1.00 0.00 C ATOM 923 CG2 ILE A 58 0.837 8.214 1.656 1.00 0.00 C ATOM 924 CD1 ILE A 58 -1.238 8.481 3.389 1.00 0.00 C ATOM 0 H ILE A 58 -0.177 4.153 1.620 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.874 6.652 0.222 1.00 0.00 H new ATOM 0 HB ILE A 58 1.015 6.308 2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.833 6.618 2.531 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.764 6.465 3.911 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.117 8.769 2.551 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.719 8.057 1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.095 8.781 1.095 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.098 8.512 4.058 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.370 8.905 3.893 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.456 9.061 2.492 1.00 0.00 H new ATOM 936 N LEU A 59 1.296 6.638 -1.070 1.00 0.00 N ATOM 937 CA LEU A 59 2.465 6.492 -1.925 1.00 0.00 C ATOM 938 C LEU A 59 3.272 7.776 -1.986 1.00 0.00 C ATOM 939 O LEU A 59 2.717 8.869 -2.013 1.00 0.00 O ATOM 940 CB LEU A 59 2.059 6.060 -3.345 1.00 0.00 C ATOM 941 CG LEU A 59 1.573 7.161 -4.300 1.00 0.00 C ATOM 942 CD1 LEU A 59 0.373 7.874 -3.719 1.00 0.00 C ATOM 943 CD2 LEU A 59 2.679 8.155 -4.623 1.00 0.00 C ATOM 0 H LEU A 59 0.666 7.396 -1.333 1.00 0.00 H new ATOM 0 HA LEU A 59 3.090 5.714 -1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.914 5.566 -3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.269 5.314 -3.259 1.00 0.00 H new ATOM 0 HG LEU A 59 1.280 6.681 -5.234 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.042 8.651 -4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.435 7.159 -3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.645 8.327 -2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.296 8.918 -5.301 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.024 8.627 -3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.510 7.633 -5.097 1.00 0.00 H new ATOM 955 N ASN A 60 4.586 7.631 -2.051 1.00 0.00 N ATOM 956 CA ASN A 60 5.469 8.779 -2.167 1.00 0.00 C ATOM 957 C ASN A 60 6.267 8.648 -3.453 1.00 0.00 C ATOM 958 O ASN A 60 7.201 7.855 -3.533 1.00 0.00 O ATOM 959 CB ASN A 60 6.409 8.871 -0.964 1.00 0.00 C ATOM 960 CG ASN A 60 5.664 8.840 0.356 1.00 0.00 C ATOM 961 OD1 ASN A 60 4.460 8.584 0.396 1.00 0.00 O ATOM 962 ND2 ASN A 60 6.377 9.100 1.446 1.00 0.00 N ATOM 0 H ASN A 60 5.064 6.730 -2.025 1.00 0.00 H new ATOM 0 HA ASN A 60 4.874 9.692 -2.189 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.119 8.044 -0.997 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.989 9.792 -1.029 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.929 9.092 2.362 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.373 9.307 1.367 1.00 0.00 H new ATOM 969 N SER A 61 5.878 9.403 -4.473 1.00 0.00 N ATOM 970 CA SER A 61 6.571 9.314 -5.763 1.00 0.00 C ATOM 971 C SER A 61 6.624 10.654 -6.504 1.00 0.00 C ATOM 972 O SER A 61 5.632 11.377 -6.584 1.00 0.00 O ATOM 973 CB SER A 61 5.897 8.266 -6.651 1.00 0.00 C ATOM 974 OG SER A 61 5.072 7.405 -5.890 1.00 0.00 O ATOM 0 H SER A 61 5.107 10.070 -4.441 1.00 0.00 H new ATOM 0 HA SER A 61 7.598 9.021 -5.547 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.301 8.763 -7.416 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.657 7.681 -7.169 1.00 0.00 H new ATOM 0 HG SER A 61 5.626 6.883 -5.273 1.00 0.00 H new ATOM 980 N PRO A 62 7.808 10.991 -7.052 1.00 0.00 N ATOM 981 CA PRO A 62 8.039 12.242 -7.796 1.00 0.00 C ATOM 982 C PRO A 62 7.267 12.351 -9.107 1.00 0.00 C ATOM 983 O PRO A 62 7.233 13.423 -9.713 1.00 0.00 O ATOM 984 CB PRO A 62 9.537 12.205 -8.079 1.00 0.00 C ATOM 985 CG PRO A 62 9.897 10.763 -8.040 1.00 0.00 C ATOM 986 CD PRO A 62 9.034 10.178 -6.971 1.00 0.00 C ATOM 0 HA PRO A 62 7.697 13.100 -7.218 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.767 12.644 -9.050 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.094 12.772 -7.333 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.713 10.284 -9.002 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.954 10.626 -7.813 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.830 9.122 -7.150 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.502 10.251 -5.989 1.00 0.00 H new ATOM 994 N ASP A 63 6.654 11.262 -9.558 1.00 0.00 N ATOM 995 CA ASP A 63 5.907 11.302 -10.809 1.00 0.00 C ATOM 996 C ASP A 63 4.609 10.502 -10.682 1.00 0.00 C ATOM 997 O ASP A 63 4.569 9.495 -9.978 1.00 0.00 O ATOM 998 CB ASP A 63 6.775 10.763 -11.955 1.00 0.00 C ATOM 999 CG ASP A 63 5.967 10.380 -13.183 1.00 0.00 C ATOM 1000 OD1 ASP A 63 4.992 11.093 -13.499 1.00 0.00 O ATOM 1001 OD2 ASP A 63 6.312 9.367 -13.829 1.00 0.00 O ATOM 0 H ASP A 63 6.658 10.357 -9.087 1.00 0.00 H new ATOM 0 HA ASP A 63 5.644 12.336 -11.032 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.511 11.518 -12.232 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.329 9.892 -11.605 1.00 0.00 H new ATOM 1006 N GLU A 64 3.544 10.949 -11.354 1.00 0.00 N ATOM 1007 CA GLU A 64 2.258 10.228 -11.268 1.00 0.00 C ATOM 1008 C GLU A 64 2.402 8.786 -11.746 1.00 0.00 C ATOM 1009 O GLU A 64 1.887 7.875 -11.103 1.00 0.00 O ATOM 1010 CB GLU A 64 1.125 10.931 -12.030 1.00 0.00 C ATOM 1011 CG GLU A 64 0.362 11.915 -11.159 1.00 0.00 C ATOM 1012 CD GLU A 64 0.944 13.314 -11.210 1.00 0.00 C ATOM 1013 OE1 GLU A 64 1.571 13.659 -12.234 1.00 0.00 O ATOM 1014 OE2 GLU A 64 0.773 14.064 -10.227 1.00 0.00 O ATOM 0 H GLU A 64 3.537 11.779 -11.947 1.00 0.00 H new ATOM 0 HA GLU A 64 1.982 10.227 -10.214 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.541 11.458 -12.889 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.434 10.183 -12.419 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.679 11.947 -11.480 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.367 11.561 -10.128 1.00 0.00 H new ATOM 1021 N ASP A 65 3.116 8.561 -12.854 1.00 0.00 N ATOM 1022 CA ASP A 65 3.318 7.200 -13.348 1.00 0.00 C ATOM 1023 C ASP A 65 3.747 6.316 -12.189 1.00 0.00 C ATOM 1024 O ASP A 65 3.110 5.309 -11.880 1.00 0.00 O ATOM 1025 CB ASP A 65 4.394 7.189 -14.427 1.00 0.00 C ATOM 1026 CG ASP A 65 4.436 5.882 -15.194 1.00 0.00 C ATOM 1027 OD1 ASP A 65 4.351 4.814 -14.553 1.00 0.00 O ATOM 1028 OD2 ASP A 65 4.553 5.928 -16.437 1.00 0.00 O ATOM 0 H ASP A 65 3.555 9.291 -13.415 1.00 0.00 H new ATOM 0 HA ASP A 65 2.388 6.826 -13.777 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.214 8.009 -15.123 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.366 7.368 -13.968 1.00 0.00 H new ATOM 1033 N SER A 66 4.808 6.748 -11.516 1.00 0.00 N ATOM 1034 CA SER A 66 5.309 6.052 -10.338 1.00 0.00 C ATOM 1035 C SER A 66 4.221 6.060 -9.272 1.00 0.00 C ATOM 1036 O SER A 66 3.774 5.020 -8.795 1.00 0.00 O ATOM 1037 CB SER A 66 6.564 6.741 -9.804 1.00 0.00 C ATOM 1038 OG SER A 66 7.144 5.995 -8.748 1.00 0.00 O ATOM 0 H SER A 66 5.339 7.581 -11.768 1.00 0.00 H new ATOM 0 HA SER A 66 5.569 5.027 -10.602 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.288 6.860 -10.610 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.312 7.741 -9.451 1.00 0.00 H new ATOM 0 HG SER A 66 6.529 5.282 -8.475 1.00 0.00 H new ATOM 1044 N LEU A 67 3.798 7.272 -8.937 1.00 0.00 N ATOM 1045 CA LEU A 67 2.747 7.526 -7.952 1.00 0.00 C ATOM 1046 C LEU A 67 1.613 6.511 -8.073 1.00 0.00 C ATOM 1047 O LEU A 67 1.329 5.778 -7.128 1.00 0.00 O ATOM 1048 CB LEU A 67 2.246 8.972 -8.160 1.00 0.00 C ATOM 1049 CG LEU A 67 0.920 9.384 -7.510 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.706 10.878 -7.679 1.00 0.00 C ATOM 1051 CD2 LEU A 67 -0.263 8.625 -8.094 1.00 0.00 C ATOM 0 H LEU A 67 4.181 8.124 -9.348 1.00 0.00 H new ATOM 0 HA LEU A 67 3.143 7.415 -6.943 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.019 9.647 -7.794 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.157 9.141 -9.233 1.00 0.00 H new ATOM 0 HG LEU A 67 0.981 9.135 -6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.238 11.165 -7.215 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.524 11.419 -7.203 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.678 11.124 -8.741 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.181 8.949 -7.604 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.332 8.826 -9.163 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.124 7.556 -7.934 1.00 0.00 H new ATOM 1063 N ALA A 68 0.969 6.459 -9.230 1.00 0.00 N ATOM 1064 CA ALA A 68 -0.122 5.518 -9.433 1.00 0.00 C ATOM 1065 C ALA A 68 0.398 4.088 -9.362 1.00 0.00 C ATOM 1066 O ALA A 68 -0.286 3.191 -8.871 1.00 0.00 O ATOM 1067 CB ALA A 68 -0.810 5.775 -10.764 1.00 0.00 C ATOM 0 H ALA A 68 1.180 7.050 -10.034 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.856 5.659 -8.640 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.623 5.061 -10.897 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.211 6.788 -10.776 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.090 5.660 -11.574 1.00 0.00 H new ATOM 1073 N HIS A 69 1.625 3.886 -9.841 1.00 0.00 N ATOM 1074 CA HIS A 69 2.244 2.567 -9.815 1.00 0.00 C ATOM 1075 C HIS A 69 2.242 2.019 -8.394 1.00 0.00 C ATOM 1076 O HIS A 69 2.022 0.829 -8.172 1.00 0.00 O ATOM 1077 CB HIS A 69 3.679 2.635 -10.345 1.00 0.00 C ATOM 1078 CG HIS A 69 4.217 1.309 -10.782 1.00 0.00 C ATOM 1079 ND1 HIS A 69 5.441 1.158 -11.400 1.00 0.00 N ATOM 1080 CD2 HIS A 69 3.692 0.063 -10.687 1.00 0.00 C ATOM 1081 CE1 HIS A 69 5.645 -0.120 -11.666 1.00 0.00 C ATOM 1082 NE2 HIS A 69 4.598 -0.805 -11.243 1.00 0.00 N ATOM 0 H HIS A 69 2.206 4.618 -10.250 1.00 0.00 H new ATOM 0 HA HIS A 69 1.667 1.901 -10.457 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.715 3.328 -11.186 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.326 3.043 -9.568 1.00 0.00 H new ATOM 0 HD2 HIS A 69 2.738 -0.198 -10.254 1.00 0.00 H new ATOM 0 HE1 HIS A 69 6.519 -0.534 -12.147 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.482 -1.816 -11.318 1.00 0.00 H new ATOM 1091 N MET A 70 2.486 2.905 -7.433 1.00 0.00 N ATOM 1092 CA MET A 70 2.510 2.519 -6.022 1.00 0.00 C ATOM 1093 C MET A 70 1.087 2.376 -5.463 1.00 0.00 C ATOM 1094 O MET A 70 0.724 1.315 -4.956 1.00 0.00 O ATOM 1095 CB MET A 70 3.301 3.539 -5.177 1.00 0.00 C ATOM 1096 CG MET A 70 4.192 4.478 -5.976 1.00 0.00 C ATOM 1097 SD MET A 70 5.439 3.600 -6.937 1.00 0.00 S ATOM 1098 CE MET A 70 6.424 2.872 -5.629 1.00 0.00 C ATOM 0 H MET A 70 2.670 3.894 -7.603 1.00 0.00 H new ATOM 0 HA MET A 70 3.010 1.552 -5.961 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.595 4.135 -4.599 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.919 2.995 -4.462 1.00 0.00 H new ATOM 0 HG2 MET A 70 3.575 5.075 -6.648 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.685 5.172 -5.295 1.00 0.00 H new ATOM 0 HE1 MET A 70 7.308 2.400 -6.059 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.732 3.649 -4.930 1.00 0.00 H new ATOM 0 HE3 MET A 70 5.833 2.123 -5.102 1.00 0.00 H new ATOM 1108 N GLN A 71 0.285 3.446 -5.542 1.00 0.00 N ATOM 1109 CA GLN A 71 -1.085 3.406 -5.020 1.00 0.00 C ATOM 1110 C GLN A 71 -1.908 2.281 -5.649 1.00 0.00 C ATOM 1111 O GLN A 71 -2.833 1.765 -5.022 1.00 0.00 O ATOM 1112 CB GLN A 71 -1.820 4.750 -5.195 1.00 0.00 C ATOM 1113 CG GLN A 71 -1.509 5.506 -6.472 1.00 0.00 C ATOM 1114 CD GLN A 71 -2.764 5.904 -7.226 1.00 0.00 C ATOM 1115 OE1 GLN A 71 -3.063 7.089 -7.374 1.00 0.00 O ATOM 1116 NE2 GLN A 71 -3.506 4.913 -7.706 1.00 0.00 N ATOM 0 H GLN A 71 0.557 4.338 -5.956 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.987 3.208 -3.953 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.893 4.564 -5.156 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.576 5.390 -4.347 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.934 6.400 -6.231 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.883 4.887 -7.115 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.220 3.945 -7.560 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.362 5.120 -8.221 1.00 0.00 H new ATOM 1125 N ASN A 72 -1.579 1.900 -6.880 1.00 0.00 N ATOM 1126 CA ASN A 72 -2.311 0.833 -7.560 1.00 0.00 C ATOM 1127 C ASN A 72 -1.809 -0.540 -7.124 1.00 0.00 C ATOM 1128 O ASN A 72 -2.603 -1.435 -6.834 1.00 0.00 O ATOM 1129 CB ASN A 72 -2.194 0.976 -9.077 1.00 0.00 C ATOM 1130 CG ASN A 72 -3.404 0.425 -9.804 1.00 0.00 C ATOM 1131 OD1 ASN A 72 -4.343 -0.072 -9.182 1.00 0.00 O ATOM 1132 ND2 ASN A 72 -3.389 0.512 -11.129 1.00 0.00 N ATOM 0 H ASN A 72 -0.819 2.308 -7.423 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.361 0.922 -7.280 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.069 2.028 -9.331 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.299 0.456 -9.420 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.177 0.159 -11.672 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.590 0.932 -11.604 1.00 0.00 H new ATOM 1139 N VAL A 73 -0.487 -0.701 -7.077 1.00 0.00 N ATOM 1140 CA VAL A 73 0.122 -1.965 -6.674 1.00 0.00 C ATOM 1141 C VAL A 73 -0.558 -2.527 -5.425 1.00 0.00 C ATOM 1142 O VAL A 73 -0.789 -3.732 -5.321 1.00 0.00 O ATOM 1143 CB VAL A 73 1.639 -1.790 -6.416 1.00 0.00 C ATOM 1144 CG1 VAL A 73 2.177 -2.858 -5.473 1.00 0.00 C ATOM 1145 CG2 VAL A 73 2.404 -1.809 -7.730 1.00 0.00 C ATOM 0 H VAL A 73 0.183 0.031 -7.314 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.014 -2.672 -7.492 1.00 0.00 H new ATOM 0 HB VAL A 73 1.783 -0.823 -5.935 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.244 -2.701 -5.317 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.657 -2.795 -4.517 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.015 -3.844 -5.909 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.469 -1.685 -7.533 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.237 -2.761 -8.235 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.055 -0.995 -8.366 1.00 0.00 H new ATOM 1155 N VAL A 74 -0.882 -1.645 -4.486 1.00 0.00 N ATOM 1156 CA VAL A 74 -1.542 -2.058 -3.250 1.00 0.00 C ATOM 1157 C VAL A 74 -2.995 -2.457 -3.512 1.00 0.00 C ATOM 1158 O VAL A 74 -3.441 -3.510 -3.056 1.00 0.00 O ATOM 1159 CB VAL A 74 -1.503 -0.945 -2.181 1.00 0.00 C ATOM 1160 CG1 VAL A 74 -2.272 -1.357 -0.929 1.00 0.00 C ATOM 1161 CG2 VAL A 74 -0.067 -0.581 -1.827 1.00 0.00 C ATOM 0 H VAL A 74 -0.700 -0.644 -4.555 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.993 -2.921 -2.873 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.987 -0.064 -2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.227 -0.554 -0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.312 -1.553 -1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.827 -2.259 -0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.066 0.205 -1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.445 -1.460 -1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.449 -0.227 -2.719 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.732 -1.622 -4.256 1.00 0.00 N ATOM 1172 CA ALA A 75 -5.125 -1.917 -4.579 1.00 0.00 C ATOM 1173 C ALA A 75 -5.263 -3.359 -5.040 1.00 0.00 C ATOM 1174 O ALA A 75 -6.299 -3.996 -4.847 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.639 -0.970 -5.655 1.00 0.00 C ATOM 0 H ALA A 75 -3.385 -0.743 -4.641 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.724 -1.775 -3.680 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.679 -1.206 -5.881 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.570 0.058 -5.298 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.037 -1.082 -6.557 1.00 0.00 H new ATOM 1181 N ASP A 76 -4.193 -3.866 -5.640 1.00 0.00 N ATOM 1182 CA ASP A 76 -4.168 -5.239 -6.126 1.00 0.00 C ATOM 1183 C ASP A 76 -4.040 -6.219 -4.961 1.00 0.00 C ATOM 1184 O ASP A 76 -4.715 -7.247 -4.925 1.00 0.00 O ATOM 1185 CB ASP A 76 -3.009 -5.438 -7.104 1.00 0.00 C ATOM 1186 CG ASP A 76 -3.076 -6.774 -7.817 1.00 0.00 C ATOM 1187 OD1 ASP A 76 -2.765 -7.802 -7.180 1.00 0.00 O ATOM 1188 OD2 ASP A 76 -3.439 -6.791 -9.011 1.00 0.00 O ATOM 0 H ASP A 76 -3.331 -3.346 -5.802 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.106 -5.434 -6.646 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.018 -4.635 -7.841 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.065 -5.365 -6.564 1.00 0.00 H new ATOM 1193 N HIS A 77 -3.167 -5.895 -4.012 1.00 0.00 N ATOM 1194 CA HIS A 77 -2.949 -6.751 -2.848 1.00 0.00 C ATOM 1195 C HIS A 77 -4.236 -6.932 -2.039 1.00 0.00 C ATOM 1196 O HIS A 77 -4.538 -8.035 -1.584 1.00 0.00 O ATOM 1197 CB HIS A 77 -1.838 -6.175 -1.962 1.00 0.00 C ATOM 1198 CG HIS A 77 -0.582 -5.854 -2.715 1.00 0.00 C ATOM 1199 ND1 HIS A 77 -0.396 -6.177 -4.043 1.00 0.00 N ATOM 1200 CD2 HIS A 77 0.557 -5.238 -2.316 1.00 0.00 C ATOM 1201 CE1 HIS A 77 0.802 -5.773 -4.428 1.00 0.00 C ATOM 1202 NE2 HIS A 77 1.399 -5.201 -3.400 1.00 0.00 N ATOM 0 H HIS A 77 -2.599 -5.048 -4.025 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.640 -7.732 -3.208 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.203 -5.270 -1.477 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.607 -6.889 -1.172 1.00 0.00 H new ATOM 0 HD2 HIS A 77 0.764 -4.849 -1.330 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.221 -5.891 -5.416 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.335 -4.796 -3.409 1.00 0.00 H new ATOM 1211 N LEU A 78 -4.995 -5.850 -1.866 1.00 0.00 N ATOM 1212 CA LEU A 78 -6.243 -5.903 -1.120 1.00 0.00 C ATOM 1213 C LEU A 78 -7.278 -6.756 -1.853 1.00 0.00 C ATOM 1214 O LEU A 78 -8.160 -7.346 -1.229 1.00 0.00 O ATOM 1215 CB LEU A 78 -6.798 -4.485 -0.912 1.00 0.00 C ATOM 1216 CG LEU A 78 -6.033 -3.587 0.073 1.00 0.00 C ATOM 1217 CD1 LEU A 78 -6.917 -2.435 0.520 1.00 0.00 C ATOM 1218 CD2 LEU A 78 -5.549 -4.382 1.279 1.00 0.00 C ATOM 0 H LEU A 78 -4.763 -4.927 -2.234 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.039 -6.357 -0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.825 -3.984 -1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.829 -4.569 -0.567 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.157 -3.187 -0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.367 -1.804 1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.212 -1.845 -0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.807 -2.829 1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.011 -3.721 1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.405 -4.816 1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.884 -5.179 0.946 1.00 0.00 H new ATOM 1230 N GLN A 79 -7.179 -6.803 -3.180 1.00 0.00 N ATOM 1231 CA GLN A 79 -8.126 -7.571 -3.989 1.00 0.00 C ATOM 1232 C GLN A 79 -7.885 -9.079 -3.887 1.00 0.00 C ATOM 1233 O GLN A 79 -8.834 -9.855 -3.779 1.00 0.00 O ATOM 1234 CB GLN A 79 -8.076 -7.105 -5.451 1.00 0.00 C ATOM 1235 CG GLN A 79 -7.257 -7.995 -6.377 1.00 0.00 C ATOM 1236 CD GLN A 79 -6.854 -7.288 -7.657 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -7.415 -6.250 -8.009 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -5.878 -7.849 -8.361 1.00 0.00 N ATOM 0 H GLN A 79 -6.457 -6.322 -3.716 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.124 -7.384 -3.592 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.095 -7.046 -5.834 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.665 -6.096 -5.482 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.362 -8.331 -5.854 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.835 -8.886 -6.624 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -5.441 -8.710 -8.031 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.565 -7.419 -9.231 1.00 0.00 H new ATOM 1247 N ARG A 80 -6.622 -9.495 -3.918 1.00 0.00 N ATOM 1248 CA ARG A 80 -6.291 -10.913 -3.823 1.00 0.00 C ATOM 1249 C ARG A 80 -6.884 -11.501 -2.556 1.00 0.00 C ATOM 1250 O ARG A 80 -7.396 -12.621 -2.547 1.00 0.00 O ATOM 1251 CB ARG A 80 -4.774 -11.112 -3.821 1.00 0.00 C ATOM 1252 CG ARG A 80 -4.085 -10.489 -5.019 1.00 0.00 C ATOM 1253 CD ARG A 80 -3.012 -11.405 -5.588 1.00 0.00 C ATOM 1254 NE ARG A 80 -1.948 -11.666 -4.623 1.00 0.00 N ATOM 1255 CZ ARG A 80 -0.739 -12.117 -4.954 1.00 0.00 C ATOM 1256 NH1 ARG A 80 -0.439 -12.357 -6.224 1.00 0.00 N ATOM 1257 NH2 ARG A 80 0.170 -12.326 -4.013 1.00 0.00 N ATOM 0 H ARG A 80 -5.817 -8.876 -4.007 1.00 0.00 H new ATOM 0 HA ARG A 80 -6.711 -11.423 -4.690 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -4.360 -10.683 -2.909 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -4.555 -12.180 -3.799 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -4.823 -10.270 -5.790 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -3.636 -9.539 -4.728 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -3.465 -12.349 -5.892 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.586 -10.952 -6.483 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.142 -11.493 -3.637 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.135 -12.196 -6.952 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.488 -12.702 -6.473 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.056 -12.142 -3.036 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.096 -12.671 -4.266 1.00 0.00 H new ATOM 1271 N MET A 81 -6.800 -10.728 -1.487 1.00 0.00 N ATOM 1272 CA MET A 81 -7.319 -11.149 -0.191 1.00 0.00 C ATOM 1273 C MET A 81 -8.812 -10.857 -0.045 1.00 0.00 C ATOM 1274 O MET A 81 -9.450 -11.332 0.895 1.00 0.00 O ATOM 1275 CB MET A 81 -6.538 -10.473 0.939 1.00 0.00 C ATOM 1276 CG MET A 81 -6.581 -8.948 0.926 1.00 0.00 C ATOM 1277 SD MET A 81 -8.147 -8.279 1.522 1.00 0.00 S ATOM 1278 CE MET A 81 -7.625 -7.493 3.044 1.00 0.00 C ATOM 0 H MET A 81 -6.376 -9.800 -1.488 1.00 0.00 H new ATOM 0 HA MET A 81 -7.189 -12.229 -0.126 1.00 0.00 H new ATOM 0 HB2 MET A 81 -6.930 -10.825 1.893 1.00 0.00 H new ATOM 0 HB3 MET A 81 -5.498 -10.793 0.884 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.770 -8.562 1.543 1.00 0.00 H new ATOM 0 HG3 MET A 81 -6.405 -8.594 -0.090 1.00 0.00 H new ATOM 0 HE1 MET A 81 -8.328 -7.738 3.840 1.00 0.00 H new ATOM 0 HE2 MET A 81 -6.631 -7.849 3.315 1.00 0.00 H new ATOM 0 HE3 MET A 81 -7.597 -6.412 2.904 1.00 0.00 H new ATOM 1349 N LEU A 87 -10.787 -4.481 -6.179 1.00 0.00 N ATOM 1350 CA LEU A 87 -10.947 -3.759 -4.899 1.00 0.00 C ATOM 1351 C LEU A 87 -11.608 -2.395 -5.053 1.00 0.00 C ATOM 1352 O LEU A 87 -10.987 -1.454 -5.549 1.00 0.00 O ATOM 1353 CB LEU A 87 -9.593 -3.540 -4.193 1.00 0.00 C ATOM 1354 CG LEU A 87 -9.457 -4.134 -2.783 1.00 0.00 C ATOM 1355 CD1 LEU A 87 -9.670 -3.059 -1.730 1.00 0.00 C ATOM 1356 CD2 LEU A 87 -10.423 -5.291 -2.557 1.00 0.00 C ATOM 0 HA LEU A 87 -11.594 -4.402 -4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.808 -3.963 -4.820 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.409 -2.467 -4.132 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.444 -4.527 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -9.570 -3.497 -0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.925 -2.273 -1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.668 -2.634 -1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.293 -5.681 -1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.447 -4.939 -2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.220 -6.081 -3.280 1.00 0.00 H new ATOM 1368 N GLU A 88 -12.835 -2.267 -4.573 1.00 0.00 N ATOM 1369 CA GLU A 88 -13.502 -0.980 -4.627 1.00 0.00 C ATOM 1370 C GLU A 88 -12.808 -0.051 -3.640 1.00 0.00 C ATOM 1371 O GLU A 88 -13.064 -0.102 -2.437 1.00 0.00 O ATOM 1372 CB GLU A 88 -14.986 -1.117 -4.278 1.00 0.00 C ATOM 1373 CG GLU A 88 -15.759 0.187 -4.387 1.00 0.00 C ATOM 1374 CD GLU A 88 -17.249 -0.031 -4.557 1.00 0.00 C ATOM 1375 OE1 GLU A 88 -17.633 -0.907 -5.359 1.00 0.00 O ATOM 1376 OE2 GLU A 88 -18.032 0.675 -3.888 1.00 0.00 O ATOM 0 H GLU A 88 -13.377 -3.021 -4.151 1.00 0.00 H new ATOM 0 HA GLU A 88 -13.442 -0.575 -5.637 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -15.440 -1.855 -4.939 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -15.078 -1.500 -3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.583 0.785 -3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.380 0.760 -5.234 1.00 0.00 H new ATOM 1383 N ILE A 89 -11.910 0.781 -4.153 1.00 0.00 N ATOM 1384 CA ILE A 89 -11.159 1.703 -3.312 1.00 0.00 C ATOM 1385 C ILE A 89 -11.145 3.101 -3.924 1.00 0.00 C ATOM 1386 O ILE A 89 -10.823 3.256 -5.103 1.00 0.00 O ATOM 1387 CB ILE A 89 -9.694 1.209 -3.091 1.00 0.00 C ATOM 1388 CG1 ILE A 89 -8.783 1.534 -4.288 1.00 0.00 C ATOM 1389 CG2 ILE A 89 -9.670 -0.286 -2.827 1.00 0.00 C ATOM 1390 CD1 ILE A 89 -8.972 0.605 -5.470 1.00 0.00 C ATOM 0 H ILE A 89 -11.685 0.836 -5.146 1.00 0.00 H new ATOM 0 HA ILE A 89 -11.658 1.742 -2.344 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.309 1.742 -2.222 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.972 2.558 -4.609 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.743 1.488 -3.964 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.641 -0.612 -2.675 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -10.256 -0.507 -1.935 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.096 -0.813 -3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.296 0.897 -6.274 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.754 -0.419 -5.166 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.002 0.668 -5.821 1.00 0.00 H new ATOM 1402 N ALA A 90 -11.477 4.125 -3.139 1.00 0.00 N ATOM 1403 CA ALA A 90 -11.455 5.478 -3.675 1.00 0.00 C ATOM 1404 C ALA A 90 -10.043 6.032 -3.599 1.00 0.00 C ATOM 1405 O ALA A 90 -9.524 6.301 -2.517 1.00 0.00 O ATOM 1406 CB ALA A 90 -12.421 6.404 -2.939 1.00 0.00 C ATOM 0 H ALA A 90 -11.756 4.046 -2.161 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.781 5.430 -4.714 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.370 7.402 -3.373 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -13.436 6.019 -3.032 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.147 6.452 -1.885 1.00 0.00 H new ATOM 1412 N TRP A 91 -9.429 6.198 -4.759 1.00 0.00 N ATOM 1413 CA TRP A 91 -8.074 6.719 -4.835 1.00 0.00 C ATOM 1414 C TRP A 91 -8.088 8.217 -5.106 1.00 0.00 C ATOM 1415 O TRP A 91 -8.821 8.696 -5.972 1.00 0.00 O ATOM 1416 CB TRP A 91 -7.286 5.998 -5.929 1.00 0.00 C ATOM 1417 CG TRP A 91 -7.927 6.089 -7.281 1.00 0.00 C ATOM 1418 CD1 TRP A 91 -8.709 5.146 -7.883 1.00 0.00 C ATOM 1419 CD2 TRP A 91 -7.840 7.185 -8.199 1.00 0.00 C ATOM 1420 NE1 TRP A 91 -9.113 5.588 -9.119 1.00 0.00 N ATOM 1421 CE2 TRP A 91 -8.593 6.837 -9.336 1.00 0.00 C ATOM 1422 CE3 TRP A 91 -7.199 8.427 -8.171 1.00 0.00 C ATOM 1423 CZ2 TRP A 91 -8.722 7.686 -10.433 1.00 0.00 C ATOM 1424 CZ3 TRP A 91 -7.327 9.268 -9.259 1.00 0.00 C ATOM 1425 CH2 TRP A 91 -8.084 8.895 -10.376 1.00 0.00 C ATOM 0 H TRP A 91 -9.848 5.979 -5.663 1.00 0.00 H new ATOM 0 HA TRP A 91 -7.588 6.543 -3.875 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -6.282 6.420 -5.982 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -7.177 4.948 -5.656 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -8.972 4.192 -7.451 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -9.704 5.071 -9.770 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -6.614 8.724 -7.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -9.304 7.400 -11.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -6.835 10.229 -9.248 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -8.166 9.576 -11.210 1.00 0.00 H new ATOM 1436 N GLN A 92 -7.274 8.950 -4.362 1.00 0.00 N ATOM 1437 CA GLN A 92 -7.191 10.395 -4.524 1.00 0.00 C ATOM 1438 C GLN A 92 -6.138 10.757 -5.566 1.00 0.00 C ATOM 1439 O GLN A 92 -5.157 10.036 -5.749 1.00 0.00 O ATOM 1440 CB GLN A 92 -6.859 11.065 -3.188 1.00 0.00 C ATOM 1441 CG GLN A 92 -7.982 10.975 -2.169 1.00 0.00 C ATOM 1442 CD GLN A 92 -7.523 11.319 -0.765 1.00 0.00 C ATOM 1443 OE1 GLN A 92 -6.404 11.792 -0.563 1.00 0.00 O ATOM 1444 NE2 GLN A 92 -8.387 11.081 0.215 1.00 0.00 N ATOM 0 H GLN A 92 -6.662 8.569 -3.641 1.00 0.00 H new ATOM 0 HA GLN A 92 -8.160 10.757 -4.867 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.964 10.603 -2.772 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.623 12.114 -3.366 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.787 11.650 -2.460 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.394 9.966 -2.176 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -9.304 10.688 0.002 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -8.134 11.291 1.180 1.00 0.00 H new ATOM 1453 N PRO A 93 -6.333 11.883 -6.272 1.00 0.00 N ATOM 1454 CA PRO A 93 -5.402 12.341 -7.308 1.00 0.00 C ATOM 1455 C PRO A 93 -3.950 12.290 -6.860 1.00 0.00 C ATOM 1456 O PRO A 93 -3.063 11.972 -7.653 1.00 0.00 O ATOM 1457 CB PRO A 93 -5.822 13.786 -7.537 1.00 0.00 C ATOM 1458 CG PRO A 93 -7.275 13.816 -7.209 1.00 0.00 C ATOM 1459 CD PRO A 93 -7.481 12.798 -6.119 1.00 0.00 C ATOM 0 HA PRO A 93 -5.448 11.711 -8.196 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.258 14.468 -6.900 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.643 14.092 -8.568 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.579 14.809 -6.877 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.877 13.575 -8.085 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.493 13.264 -5.134 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.429 12.273 -6.235 1.00 0.00 H new ATOM 1467 N ALA A 94 -3.716 12.620 -5.588 1.00 0.00 N ATOM 1468 CA ALA A 94 -2.369 12.630 -5.009 1.00 0.00 C ATOM 1469 C ALA A 94 -1.786 14.039 -5.022 1.00 0.00 C ATOM 1470 O ALA A 94 -1.093 14.444 -4.088 1.00 0.00 O ATOM 1471 CB ALA A 94 -1.432 11.670 -5.737 1.00 0.00 C ATOM 0 H ALA A 94 -4.450 12.887 -4.932 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.460 12.292 -3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.444 11.707 -5.278 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.826 10.656 -5.669 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.356 11.960 -6.785 1.00 0.00 H new