USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 858 hydrogens (32 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 NoAdj-H: A 14 HIS HE2 : A 14 HIS NE2 : A 107 HECFE :(H bumps) USER MOD NoAdj-H: A 107 HEC HAC : A 107 HEC CAC : A 13 CYS SG :(H bumps) USER MOD NoAdj-H: A 107 HEC HAB : A 107 HEC CAB : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 107 HEC H2A : A 107 HEC O2A : A 107 HEC CGA :(short bond) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 8 THR OG1 : rot -100:sc= 1.32 USER MOD Single : A 11 SER OG : rot 64:sc= 1.08 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -60:sc= 0.247 USER MOD Single : A 18 ASN : amide:sc= -0.0582 X(o=-0.058,f=-0.38) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0261 X(o=-0.026,f=-0.33) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0219 K(o=-0.022,f=-0.7) USER MOD Single : A 40 ASN : amide:sc= 0.076 K(o=0.076,f=-2.5!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.0185 K(o=-0.019,f=-0.92) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 72 MET CE :methyl 179:sc= 0 (180deg=-0.00681) USER MOD Single : A 74 ASN : amide:sc= 0.232 K(o=0.23,f=-4.7!) USER MOD Single : A 75 MET CE :methyl -179:sc= 0 (180deg=-0.000139) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 48:sc= 1.23 USER MOD Single : A 88 TYR OH : rot 141:sc= 0.834 USER MOD Single : A 93 THR OG1 : rot 114:sc= 1.41 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -37:sc= 0.0358 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HEC O2D : rot -40:sc= 0.443 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 13.111 6.626 6.933 1.00 2.16 N ATOM 2 CA SER A 1 12.789 5.549 5.977 1.00 2.31 C ATOM 3 C SER A 1 11.361 5.007 6.153 1.00 1.84 C ATOM 4 O SER A 1 11.159 3.808 6.350 1.00 3.08 O ATOM 5 CB SER A 1 13.863 4.450 5.975 1.00 3.31 C ATOM 6 OG SER A 1 15.100 4.965 5.506 1.00 3.94 O ATOM 0 H1 SER A 1 14.084 6.955 6.771 1.00 2.16 H new ATOM 0 H2 SER A 1 12.451 7.418 6.799 1.00 2.16 H new ATOM 0 H3 SER A 1 13.025 6.265 7.905 1.00 2.16 H new ATOM 0 HA SER A 1 12.804 5.991 4.981 1.00 2.31 H new ATOM 0 HB2 SER A 1 13.986 4.052 6.982 1.00 3.31 H new ATOM 0 HB3 SER A 1 13.544 3.622 5.342 1.00 3.31 H new ATOM 0 HG SER A 1 15.774 4.254 5.512 1.00 3.94 H new ATOM 12 N GLY A 2 10.378 5.917 6.158 1.00 1.11 N ATOM 13 CA GLY A 2 8.939 5.630 6.193 1.00 0.81 C ATOM 14 C GLY A 2 8.277 5.539 7.578 1.00 0.91 C ATOM 15 O GLY A 2 7.050 5.630 7.648 1.00 0.93 O ATOM 0 H GLY A 2 10.574 6.918 6.137 1.00 1.11 H new ATOM 0 HA2 GLY A 2 8.426 6.404 5.623 1.00 0.81 H new ATOM 0 HA3 GLY A 2 8.769 4.687 5.674 1.00 0.81 H new ATOM 19 N GLU A 3 9.035 5.397 8.674 1.00 1.13 N ATOM 20 CA GLU A 3 8.470 5.103 10.010 1.00 1.26 C ATOM 21 C GLU A 3 7.505 6.195 10.498 1.00 1.19 C ATOM 22 O GLU A 3 6.372 5.902 10.892 1.00 1.12 O ATOM 23 CB GLU A 3 9.601 4.900 11.043 1.00 1.67 C ATOM 24 CG GLU A 3 9.102 4.234 12.340 1.00 1.74 C ATOM 25 CD GLU A 3 9.562 4.951 13.619 1.00 3.19 C ATOM 26 OE1 GLU A 3 10.641 4.616 14.163 1.00 3.95 O ATOM 27 OE2 GLU A 3 8.789 5.774 14.166 1.00 4.26 O ATOM 0 H GLU A 3 10.052 5.481 8.666 1.00 1.13 H new ATOM 0 HA GLU A 3 7.895 4.182 9.911 1.00 1.26 H new ATOM 0 HB2 GLU A 3 10.386 4.286 10.602 1.00 1.67 H new ATOM 0 HB3 GLU A 3 10.048 5.865 11.282 1.00 1.67 H new ATOM 0 HG2 GLU A 3 8.013 4.200 12.325 1.00 1.74 H new ATOM 0 HG3 GLU A 3 9.453 3.202 12.366 1.00 1.74 H new ATOM 34 N GLN A 4 7.922 7.462 10.396 1.00 1.29 N ATOM 35 CA GLN A 4 7.120 8.615 10.809 1.00 1.35 C ATOM 36 C GLN A 4 5.814 8.714 10.001 1.00 1.13 C ATOM 37 O GLN A 4 4.770 9.047 10.559 1.00 1.15 O ATOM 38 CB GLN A 4 7.998 9.873 10.675 1.00 1.68 C ATOM 39 CG GLN A 4 7.354 11.157 11.220 1.00 3.31 C ATOM 40 CD GLN A 4 8.264 12.381 11.074 1.00 4.12 C ATOM 41 OE1 GLN A 4 9.486 12.320 11.181 1.00 3.69 O ATOM 42 NE2 GLN A 4 7.725 13.552 10.824 1.00 6.01 N ATOM 0 H GLN A 4 8.836 7.716 10.020 1.00 1.29 H new ATOM 0 HA GLN A 4 6.807 8.506 11.847 1.00 1.35 H new ATOM 0 HB2 GLN A 4 8.939 9.702 11.199 1.00 1.68 H new ATOM 0 HB3 GLN A 4 8.241 10.021 9.623 1.00 1.68 H new ATOM 0 HG2 GLN A 4 6.417 11.341 10.694 1.00 3.31 H new ATOM 0 HG3 GLN A 4 7.106 11.016 12.272 1.00 3.31 H new ATOM 0 HE21 GLN A 4 6.713 13.638 10.729 1.00 6.01 H new ATOM 0 HE22 GLN A 4 8.318 14.376 10.725 1.00 6.01 H new ATOM 51 N ILE A 5 5.827 8.355 8.713 1.00 1.04 N ATOM 52 CA ILE A 5 4.637 8.365 7.842 1.00 1.00 C ATOM 53 C ILE A 5 3.658 7.265 8.269 1.00 0.91 C ATOM 54 O ILE A 5 2.460 7.525 8.417 1.00 0.97 O ATOM 55 CB ILE A 5 5.039 8.200 6.351 1.00 1.08 C ATOM 56 CG1 ILE A 5 6.085 9.253 5.917 1.00 1.19 C ATOM 57 CG2 ILE A 5 3.781 8.307 5.466 1.00 1.22 C ATOM 58 CD1 ILE A 5 6.621 9.061 4.494 1.00 1.43 C ATOM 0 H ILE A 5 6.673 8.045 8.236 1.00 1.04 H new ATOM 0 HA ILE A 5 4.141 9.330 7.948 1.00 1.00 H new ATOM 0 HB ILE A 5 5.496 7.218 6.230 1.00 1.08 H new ATOM 0 HG12 ILE A 5 5.639 10.244 5.994 1.00 1.19 H new ATOM 0 HG13 ILE A 5 6.922 9.225 6.615 1.00 1.19 H new ATOM 0 HG21 ILE A 5 4.062 8.191 4.419 1.00 1.22 H new ATOM 0 HG22 ILE A 5 3.075 7.523 5.741 1.00 1.22 H new ATOM 0 HG23 ILE A 5 3.316 9.282 5.611 1.00 1.22 H new ATOM 0 HD11 ILE A 5 7.349 9.841 4.271 1.00 1.43 H new ATOM 0 HD12 ILE A 5 7.100 8.085 4.414 1.00 1.43 H new ATOM 0 HD13 ILE A 5 5.796 9.120 3.784 1.00 1.43 H new ATOM 70 N PHE A 6 4.157 6.048 8.522 1.00 0.84 N ATOM 71 CA PHE A 6 3.320 4.930 8.961 1.00 0.86 C ATOM 72 C PHE A 6 2.633 5.217 10.303 1.00 0.90 C ATOM 73 O PHE A 6 1.420 5.021 10.445 1.00 1.01 O ATOM 74 CB PHE A 6 4.154 3.647 9.031 1.00 0.93 C ATOM 75 CG PHE A 6 3.362 2.453 9.538 1.00 1.22 C ATOM 76 CD1 PHE A 6 2.518 1.741 8.663 1.00 1.42 C ATOM 77 CD2 PHE A 6 3.451 2.066 10.889 1.00 3.41 C ATOM 78 CE1 PHE A 6 1.769 0.648 9.137 1.00 1.44 C ATOM 79 CE2 PHE A 6 2.705 0.969 11.360 1.00 3.75 C ATOM 80 CZ PHE A 6 1.863 0.261 10.485 1.00 2.01 C ATOM 0 H PHE A 6 5.145 5.814 8.428 1.00 0.84 H new ATOM 0 HA PHE A 6 2.527 4.796 8.225 1.00 0.86 H new ATOM 0 HB2 PHE A 6 4.548 3.421 8.040 1.00 0.93 H new ATOM 0 HB3 PHE A 6 5.011 3.812 9.684 1.00 0.93 H new ATOM 0 HD1 PHE A 6 2.446 2.035 7.626 1.00 1.42 H new ATOM 0 HD2 PHE A 6 4.093 2.612 11.565 1.00 3.41 H new ATOM 0 HE1 PHE A 6 1.121 0.106 8.464 1.00 1.44 H new ATOM 0 HE2 PHE A 6 2.780 0.671 12.395 1.00 3.75 H new ATOM 0 HZ PHE A 6 1.289 -0.579 10.848 1.00 2.01 H new ATOM 90 N ARG A 7 3.385 5.733 11.281 1.00 0.90 N ATOM 91 CA ARG A 7 2.872 6.085 12.615 1.00 1.01 C ATOM 92 C ARG A 7 1.831 7.214 12.553 1.00 1.02 C ATOM 93 O ARG A 7 0.868 7.190 13.322 1.00 1.13 O ATOM 94 CB ARG A 7 4.087 6.483 13.473 1.00 1.12 C ATOM 95 CG ARG A 7 3.832 6.554 14.987 1.00 1.36 C ATOM 96 CD ARG A 7 3.505 5.191 15.621 1.00 1.87 C ATOM 97 NE ARG A 7 2.058 4.980 15.781 1.00 3.09 N ATOM 98 CZ ARG A 7 1.455 3.795 15.994 1.00 4.26 C ATOM 99 NH1 ARG A 7 2.135 2.637 15.971 1.00 4.48 N ATOM 100 NH2 ARG A 7 0.140 3.765 16.240 1.00 5.71 N ATOM 0 H ARG A 7 4.381 5.922 11.170 1.00 0.90 H new ATOM 0 HA ARG A 7 2.352 5.234 13.055 1.00 1.01 H new ATOM 0 HB2 ARG A 7 4.889 5.768 13.290 1.00 1.12 H new ATOM 0 HB3 ARG A 7 4.445 7.456 13.136 1.00 1.12 H new ATOM 0 HG2 ARG A 7 4.712 6.971 15.476 1.00 1.36 H new ATOM 0 HG3 ARG A 7 3.007 7.241 15.176 1.00 1.36 H new ATOM 0 HD2 ARG A 7 3.919 4.396 15.001 1.00 1.87 H new ATOM 0 HD3 ARG A 7 3.990 5.121 16.595 1.00 1.87 H new ATOM 0 HE ARG A 7 1.459 5.804 15.726 1.00 3.09 H new ATOM 0 HH11 ARG A 7 3.138 2.638 15.788 1.00 4.48 H new ATOM 0 HH12 ARG A 7 1.648 1.756 16.136 1.00 4.48 H new ATOM 0 HH21 ARG A 7 -0.394 4.634 16.265 1.00 5.71 H new ATOM 0 HH22 ARG A 7 -0.328 2.874 16.403 1.00 5.71 H new ATOM 114 N THR A 8 1.976 8.166 11.624 1.00 0.99 N ATOM 115 CA THR A 8 1.145 9.388 11.575 1.00 1.11 C ATOM 116 C THR A 8 -0.080 9.362 10.667 1.00 1.25 C ATOM 117 O THR A 8 -1.049 10.049 10.999 1.00 1.48 O ATOM 118 CB THR A 8 1.970 10.644 11.246 1.00 1.14 C ATOM 119 OG1 THR A 8 2.663 10.515 10.027 1.00 1.25 O ATOM 120 CG2 THR A 8 2.966 10.984 12.356 1.00 1.24 C ATOM 0 H THR A 8 2.673 8.116 10.881 1.00 0.99 H new ATOM 0 HA THR A 8 0.758 9.423 12.593 1.00 1.11 H new ATOM 0 HB THR A 8 1.250 11.458 11.158 1.00 1.14 H new ATOM 0 HG1 THR A 8 3.598 10.280 10.205 1.00 1.25 H new ATOM 0 HG21 THR A 8 3.526 11.877 12.081 1.00 1.24 H new ATOM 0 HG22 THR A 8 2.427 11.166 13.286 1.00 1.24 H new ATOM 0 HG23 THR A 8 3.656 10.151 12.494 1.00 1.24 H new ATOM 128 N ARG A 9 -0.089 8.617 9.551 1.00 1.22 N ATOM 129 CA ARG A 9 -1.285 8.513 8.680 1.00 1.56 C ATOM 130 C ARG A 9 -1.528 7.134 8.056 1.00 1.07 C ATOM 131 O ARG A 9 -1.983 7.026 6.917 1.00 0.98 O ATOM 132 CB ARG A 9 -1.459 9.733 7.771 1.00 2.57 C ATOM 133 CG ARG A 9 -0.449 9.877 6.638 1.00 1.82 C ATOM 134 CD ARG A 9 -0.719 11.223 5.956 1.00 1.92 C ATOM 135 NE ARG A 9 -0.186 11.228 4.597 1.00 2.16 N ATOM 136 CZ ARG A 9 1.103 11.326 4.263 1.00 2.53 C ATOM 137 NH1 ARG A 9 2.059 11.625 5.151 1.00 3.02 N ATOM 138 NH2 ARG A 9 1.424 11.097 2.987 1.00 4.11 N ATOM 0 H ARG A 9 0.713 8.077 9.225 1.00 1.22 H new ATOM 0 HA ARG A 9 -2.146 8.566 9.346 1.00 1.56 H new ATOM 0 HB2 ARG A 9 -2.458 9.697 7.337 1.00 2.57 H new ATOM 0 HB3 ARG A 9 -1.412 10.630 8.388 1.00 2.57 H new ATOM 0 HG2 ARG A 9 0.570 9.839 7.024 1.00 1.82 H new ATOM 0 HG3 ARG A 9 -0.551 9.058 5.926 1.00 1.82 H new ATOM 0 HD2 ARG A 9 -1.792 11.416 5.932 1.00 1.92 H new ATOM 0 HD3 ARG A 9 -0.263 12.027 6.534 1.00 1.92 H new ATOM 0 HE ARG A 9 -0.859 11.150 3.834 1.00 2.16 H new ATOM 0 HH11 ARG A 9 1.815 11.788 6.128 1.00 3.02 H new ATOM 0 HH12 ARG A 9 3.032 11.689 4.851 1.00 3.02 H new ATOM 0 HH21 ARG A 9 0.697 10.858 2.313 1.00 4.11 H new ATOM 0 HH22 ARG A 9 2.397 11.161 2.686 1.00 4.11 H new ATOM 152 N CYS A 10 -1.184 6.074 8.788 1.00 1.17 N ATOM 153 CA CYS A 10 -1.308 4.690 8.306 1.00 1.05 C ATOM 154 C CYS A 10 -1.622 3.645 9.394 1.00 1.04 C ATOM 155 O CYS A 10 -2.026 2.526 9.070 1.00 1.06 O ATOM 156 CB CYS A 10 0.007 4.310 7.614 1.00 1.22 C ATOM 157 SG CYS A 10 -0.110 3.262 6.140 1.00 2.00 S ATOM 0 H CYS A 10 -0.810 6.147 9.734 1.00 1.17 H new ATOM 0 HA CYS A 10 -2.163 4.673 7.631 1.00 1.05 H new ATOM 0 HB2 CYS A 10 0.521 5.230 7.335 1.00 1.22 H new ATOM 0 HB3 CYS A 10 0.638 3.801 8.342 1.00 1.22 H new ATOM 162 N SER A 11 -1.434 3.970 10.679 1.00 1.13 N ATOM 163 CA SER A 11 -1.481 2.981 11.770 1.00 1.17 C ATOM 164 C SER A 11 -2.910 2.573 12.177 1.00 1.25 C ATOM 165 O SER A 11 -3.896 3.244 11.851 1.00 2.05 O ATOM 166 CB SER A 11 -0.640 3.482 12.948 1.00 1.33 C ATOM 167 OG SER A 11 0.722 3.492 12.580 1.00 1.84 O ATOM 0 H SER A 11 -1.245 4.922 10.994 1.00 1.13 H new ATOM 0 HA SER A 11 -1.043 2.054 11.400 1.00 1.17 H new ATOM 0 HB2 SER A 11 -0.958 4.484 13.236 1.00 1.33 H new ATOM 0 HB3 SER A 11 -0.789 2.839 13.815 1.00 1.33 H new ATOM 0 HG SER A 11 0.860 4.135 11.853 1.00 1.84 H new ATOM 173 N SER A 12 -3.031 1.430 12.869 1.00 2.70 N ATOM 174 CA SER A 12 -4.269 0.673 13.179 1.00 3.22 C ATOM 175 C SER A 12 -5.035 0.111 11.968 1.00 2.58 C ATOM 176 O SER A 12 -5.454 -1.043 11.997 1.00 3.52 O ATOM 177 CB SER A 12 -5.204 1.469 14.100 1.00 4.18 C ATOM 178 OG SER A 12 -6.122 0.584 14.709 1.00 6.07 O ATOM 0 H SER A 12 -2.208 0.970 13.259 1.00 2.70 H new ATOM 0 HA SER A 12 -3.906 -0.210 13.705 1.00 3.22 H new ATOM 0 HB2 SER A 12 -4.625 1.992 14.861 1.00 4.18 H new ATOM 0 HB3 SER A 12 -5.737 2.228 13.528 1.00 4.18 H new ATOM 0 HG SER A 12 -6.720 1.088 15.299 1.00 6.07 H new ATOM 184 N CYS A 13 -5.143 0.864 10.871 1.00 1.32 N ATOM 185 CA CYS A 13 -5.673 0.414 9.569 1.00 0.82 C ATOM 186 C CYS A 13 -4.777 -0.618 8.855 1.00 0.92 C ATOM 187 O CYS A 13 -5.164 -1.149 7.813 1.00 1.61 O ATOM 188 CB CYS A 13 -5.824 1.642 8.656 1.00 1.32 C ATOM 189 SG CYS A 13 -7.517 2.224 8.326 1.00 0.76 S ATOM 0 H CYS A 13 -4.854 1.842 10.858 1.00 1.32 H new ATOM 0 HA CYS A 13 -6.626 -0.077 9.767 1.00 0.82 H new ATOM 0 HB2 CYS A 13 -5.263 2.465 9.100 1.00 1.32 H new ATOM 0 HB3 CYS A 13 -5.352 1.414 7.700 1.00 1.32 H new ATOM 194 N HIS A 14 -3.583 -0.890 9.391 1.00 0.82 N ATOM 195 CA HIS A 14 -2.634 -1.893 8.916 1.00 0.83 C ATOM 196 C HIS A 14 -1.838 -2.548 10.046 1.00 0.92 C ATOM 197 O HIS A 14 -1.777 -2.063 11.180 1.00 1.27 O ATOM 198 CB HIS A 14 -1.651 -1.257 7.920 1.00 1.22 C ATOM 199 CG HIS A 14 -2.142 -1.376 6.514 1.00 0.94 C ATOM 200 ND1 HIS A 14 -2.270 -2.525 5.777 1.00 2.03 N ATOM 201 CD2 HIS A 14 -2.624 -0.348 5.776 1.00 1.01 C ATOM 202 CE1 HIS A 14 -2.797 -2.178 4.591 1.00 2.20 C ATOM 203 NE2 HIS A 14 -3.044 -0.849 4.533 1.00 0.94 N ATOM 0 H HIS A 14 -3.238 -0.389 10.210 1.00 0.82 H new ATOM 0 HA HIS A 14 -3.225 -2.672 8.434 1.00 0.83 H new ATOM 0 HB2 HIS A 14 -1.509 -0.205 8.169 1.00 1.22 H new ATOM 0 HB3 HIS A 14 -0.678 -1.740 8.009 1.00 1.22 H new ATOM 0 HD1 HIS A 14 -2.013 -3.467 6.074 1.00 2.03 H new ATOM 0 HD2 HIS A 14 -2.677 0.684 6.090 1.00 1.01 H new ATOM 0 HE1 HIS A 14 -2.998 -2.871 3.787 1.00 2.20 H new ATOM 211 N THR A 15 -1.138 -3.607 9.647 1.00 0.96 N ATOM 212 CA THR A 15 0.004 -4.168 10.384 1.00 1.16 C ATOM 213 C THR A 15 1.151 -4.570 9.455 1.00 0.97 C ATOM 214 O THR A 15 0.954 -5.257 8.461 1.00 1.17 O ATOM 215 CB THR A 15 -0.372 -5.362 11.280 1.00 1.55 C ATOM 216 OG1 THR A 15 -1.229 -6.300 10.657 1.00 2.05 O ATOM 217 CG2 THR A 15 -1.070 -4.901 12.552 1.00 1.61 C ATOM 0 H THR A 15 -1.348 -4.113 8.787 1.00 0.96 H new ATOM 0 HA THR A 15 0.338 -3.358 11.033 1.00 1.16 H new ATOM 0 HB THR A 15 0.581 -5.845 11.497 1.00 1.55 H new ATOM 0 HG1 THR A 15 -2.067 -5.860 10.404 1.00 2.05 H new ATOM 0 HG21 THR A 15 -1.322 -5.768 13.163 1.00 1.61 H new ATOM 0 HG22 THR A 15 -0.407 -4.242 13.113 1.00 1.61 H new ATOM 0 HG23 THR A 15 -1.981 -4.362 12.292 1.00 1.61 H new ATOM 225 N VAL A 16 2.375 -4.177 9.797 1.00 0.79 N ATOM 226 CA VAL A 16 3.616 -4.738 9.248 1.00 0.77 C ATOM 227 C VAL A 16 4.282 -5.567 10.337 1.00 0.89 C ATOM 228 O VAL A 16 4.808 -5.040 11.315 1.00 1.24 O ATOM 229 CB VAL A 16 4.543 -3.673 8.612 1.00 0.83 C ATOM 230 CG1 VAL A 16 4.585 -2.344 9.359 1.00 2.65 C ATOM 231 CG2 VAL A 16 5.962 -4.196 8.358 1.00 2.89 C ATOM 0 H VAL A 16 2.541 -3.440 10.482 1.00 0.79 H new ATOM 0 HA VAL A 16 3.379 -5.389 8.407 1.00 0.77 H new ATOM 0 HB VAL A 16 4.078 -3.467 7.648 1.00 0.83 H new ATOM 0 HG11 VAL A 16 5.258 -1.658 8.844 1.00 2.65 H new ATOM 0 HG12 VAL A 16 3.584 -1.913 9.392 1.00 2.65 H new ATOM 0 HG13 VAL A 16 4.943 -2.509 10.375 1.00 2.65 H new ATOM 0 HG21 VAL A 16 6.566 -3.406 7.911 1.00 2.89 H new ATOM 0 HG22 VAL A 16 6.410 -4.506 9.302 1.00 2.89 H new ATOM 0 HG23 VAL A 16 5.920 -5.048 7.680 1.00 2.89 H new ATOM 241 N GLY A 17 4.213 -6.884 10.154 1.00 1.11 N ATOM 242 CA GLY A 17 4.947 -7.858 10.979 1.00 1.45 C ATOM 243 C GLY A 17 4.559 -7.843 12.466 1.00 1.69 C ATOM 244 O GLY A 17 5.425 -7.858 13.343 1.00 2.44 O ATOM 0 H GLY A 17 3.644 -7.315 9.425 1.00 1.11 H new ATOM 0 HA2 GLY A 17 4.775 -8.858 10.580 1.00 1.45 H new ATOM 0 HA3 GLY A 17 6.015 -7.659 10.892 1.00 1.45 H new ATOM 248 N ASN A 18 3.259 -7.730 12.743 1.00 1.78 N ATOM 249 CA ASN A 18 2.669 -7.593 14.078 1.00 2.11 C ATOM 250 C ASN A 18 1.198 -8.054 14.079 1.00 2.17 C ATOM 251 O ASN A 18 0.545 -8.040 13.027 1.00 3.13 O ATOM 252 CB ASN A 18 2.786 -6.112 14.486 1.00 2.45 C ATOM 253 CG ASN A 18 2.324 -5.828 15.904 1.00 3.16 C ATOM 254 OD1 ASN A 18 2.548 -6.595 16.832 1.00 4.20 O ATOM 255 ND2 ASN A 18 1.684 -4.708 16.121 1.00 3.60 N ATOM 0 H ASN A 18 2.553 -7.731 12.007 1.00 1.78 H new ATOM 0 HA ASN A 18 3.197 -8.224 14.793 1.00 2.11 H new ATOM 0 HB2 ASN A 18 3.824 -5.797 14.382 1.00 2.45 H new ATOM 0 HB3 ASN A 18 2.199 -5.507 13.795 1.00 2.45 H new ATOM 0 HD21 ASN A 18 1.372 -4.473 17.063 1.00 3.60 H new ATOM 0 HD22 ASN A 18 1.497 -4.069 15.348 1.00 3.60 H new ATOM 262 N THR A 19 0.638 -8.405 15.243 1.00 2.74 N ATOM 263 CA THR A 19 -0.780 -8.789 15.350 1.00 3.20 C ATOM 264 C THR A 19 -1.715 -7.588 15.196 1.00 3.32 C ATOM 265 O THR A 19 -1.490 -6.500 15.739 1.00 4.27 O ATOM 266 CB THR A 19 -1.104 -9.592 16.620 1.00 4.95 C ATOM 267 OG1 THR A 19 -0.816 -8.889 17.812 1.00 6.33 O ATOM 268 CG2 THR A 19 -0.310 -10.899 16.649 1.00 5.85 C ATOM 0 H THR A 19 1.145 -8.432 16.128 1.00 2.74 H new ATOM 0 HA THR A 19 -0.961 -9.461 14.511 1.00 3.20 H new ATOM 0 HB THR A 19 -2.177 -9.782 16.579 1.00 4.95 H new ATOM 0 HG1 THR A 19 -1.044 -9.448 18.584 1.00 6.33 H new ATOM 0 HG21 THR A 19 -0.554 -11.453 17.556 1.00 5.85 H new ATOM 0 HG22 THR A 19 -0.567 -11.500 15.777 1.00 5.85 H new ATOM 0 HG23 THR A 19 0.757 -10.677 16.635 1.00 5.85 H new ATOM 276 N GLU A 20 -2.771 -7.773 14.411 1.00 3.76 N ATOM 277 CA GLU A 20 -3.821 -6.785 14.155 1.00 5.09 C ATOM 278 C GLU A 20 -4.701 -6.520 15.398 1.00 5.14 C ATOM 279 O GLU A 20 -4.670 -7.311 16.348 1.00 4.65 O ATOM 280 CB GLU A 20 -4.631 -7.198 12.907 1.00 6.36 C ATOM 281 CG GLU A 20 -5.191 -8.634 12.919 1.00 7.44 C ATOM 282 CD GLU A 20 -4.264 -9.686 12.291 1.00 8.78 C ATOM 283 OE1 GLU A 20 -3.026 -9.512 12.284 1.00 9.07 O ATOM 284 OE2 GLU A 20 -4.763 -10.736 11.815 1.00 10.05 O ATOM 0 H GLU A 20 -2.928 -8.650 13.914 1.00 3.76 H new ATOM 0 HA GLU A 20 -3.351 -5.825 13.942 1.00 5.09 H new ATOM 0 HB2 GLU A 20 -5.463 -6.504 12.791 1.00 6.36 H new ATOM 0 HB3 GLU A 20 -3.995 -7.083 12.029 1.00 6.36 H new ATOM 0 HG2 GLU A 20 -5.399 -8.921 13.950 1.00 7.44 H new ATOM 0 HG3 GLU A 20 -6.143 -8.644 12.388 1.00 7.44 H new ATOM 291 N PRO A 21 -5.467 -5.411 15.442 1.00 6.60 N ATOM 292 CA PRO A 21 -6.262 -5.037 16.617 1.00 7.22 C ATOM 293 C PRO A 21 -7.290 -6.085 17.080 1.00 6.59 C ATOM 294 O PRO A 21 -7.657 -7.004 16.341 1.00 6.33 O ATOM 295 CB PRO A 21 -6.947 -3.719 16.240 1.00 9.24 C ATOM 296 CG PRO A 21 -5.968 -3.094 15.250 1.00 9.83 C ATOM 297 CD PRO A 21 -5.481 -4.316 14.476 1.00 8.37 C ATOM 0 HA PRO A 21 -5.600 -4.950 17.479 1.00 7.22 H new ATOM 0 HB2 PRO A 21 -7.925 -3.887 15.789 1.00 9.24 H new ATOM 0 HB3 PRO A 21 -7.103 -3.082 17.110 1.00 9.24 H new ATOM 0 HG2 PRO A 21 -6.453 -2.366 14.600 1.00 9.83 H new ATOM 0 HG3 PRO A 21 -5.151 -2.577 15.754 1.00 9.83 H new ATOM 0 HD2 PRO A 21 -6.143 -4.540 13.639 1.00 8.37 H new ATOM 0 HD3 PRO A 21 -4.488 -4.147 14.060 1.00 8.37 H new ATOM 305 N GLY A 22 -7.797 -5.924 18.305 1.00 7.22 N ATOM 306 CA GLY A 22 -8.917 -6.718 18.828 1.00 7.45 C ATOM 307 C GLY A 22 -10.205 -6.473 18.030 1.00 7.26 C ATOM 308 O GLY A 22 -10.646 -5.326 17.922 1.00 7.74 O ATOM 0 H GLY A 22 -7.441 -5.235 18.968 1.00 7.22 H new ATOM 0 HA2 GLY A 22 -8.661 -7.777 18.791 1.00 7.45 H new ATOM 0 HA3 GLY A 22 -9.084 -6.467 19.875 1.00 7.45 H new ATOM 312 N GLN A 23 -10.789 -7.540 17.467 1.00 7.12 N ATOM 313 CA GLN A 23 -11.874 -7.508 16.464 1.00 7.28 C ATOM 314 C GLN A 23 -11.581 -6.504 15.315 1.00 6.28 C ATOM 315 O GLN A 23 -12.156 -5.411 15.275 1.00 6.49 O ATOM 316 CB GLN A 23 -13.247 -7.305 17.139 1.00 8.64 C ATOM 317 CG GLN A 23 -13.634 -8.432 18.121 1.00 9.57 C ATOM 318 CD GLN A 23 -13.871 -9.800 17.475 1.00 10.47 C ATOM 319 OE1 GLN A 23 -14.103 -9.953 16.280 1.00 10.81 O ATOM 320 NE2 GLN A 23 -13.828 -10.868 18.240 1.00 11.41 N ATOM 0 H GLN A 23 -10.510 -8.492 17.705 1.00 7.12 H new ATOM 0 HA GLN A 23 -11.917 -8.483 15.978 1.00 7.28 H new ATOM 0 HB2 GLN A 23 -13.241 -6.356 17.675 1.00 8.64 H new ATOM 0 HB3 GLN A 23 -14.013 -7.230 16.367 1.00 8.64 H new ATOM 0 HG2 GLN A 23 -12.845 -8.531 18.866 1.00 9.57 H new ATOM 0 HG3 GLN A 23 -14.539 -8.136 18.652 1.00 9.57 H new ATOM 0 HE21 GLN A 23 -13.637 -10.773 19.238 1.00 11.41 H new ATOM 0 HE22 GLN A 23 -13.985 -11.791 17.836 1.00 11.41 H new ATOM 329 N PRO A 24 -10.651 -6.834 14.396 1.00 5.58 N ATOM 330 CA PRO A 24 -10.121 -5.904 13.400 1.00 4.84 C ATOM 331 C PRO A 24 -11.085 -5.730 12.218 1.00 4.42 C ATOM 332 O PRO A 24 -11.120 -6.543 11.287 1.00 4.71 O ATOM 333 CB PRO A 24 -8.761 -6.486 13.003 1.00 5.09 C ATOM 334 CG PRO A 24 -8.966 -7.992 13.151 1.00 5.95 C ATOM 335 CD PRO A 24 -9.964 -8.114 14.298 1.00 6.10 C ATOM 0 HA PRO A 24 -10.006 -4.893 13.790 1.00 4.84 H new ATOM 0 HB2 PRO A 24 -8.490 -6.215 11.982 1.00 5.09 H new ATOM 0 HB3 PRO A 24 -7.963 -6.123 13.651 1.00 5.09 H new ATOM 0 HG2 PRO A 24 -9.355 -8.435 12.234 1.00 5.95 H new ATOM 0 HG3 PRO A 24 -8.030 -8.502 13.379 1.00 5.95 H new ATOM 0 HD2 PRO A 24 -10.673 -8.920 14.109 1.00 6.10 H new ATOM 0 HD3 PRO A 24 -9.453 -8.351 15.231 1.00 6.10 H new ATOM 343 N GLY A 25 -11.841 -4.630 12.227 1.00 4.44 N ATOM 344 CA GLY A 25 -12.641 -4.194 11.079 1.00 4.36 C ATOM 345 C GLY A 25 -11.764 -3.745 9.904 1.00 3.05 C ATOM 346 O GLY A 25 -12.137 -3.946 8.747 1.00 3.41 O ATOM 0 H GLY A 25 -11.916 -4.013 13.035 1.00 4.44 H new ATOM 0 HA2 GLY A 25 -13.288 -5.010 10.757 1.00 4.36 H new ATOM 0 HA3 GLY A 25 -13.291 -3.372 11.381 1.00 4.36 H new ATOM 350 N ILE A 26 -10.586 -3.188 10.211 1.00 1.94 N ATOM 351 CA ILE A 26 -9.473 -2.912 9.303 1.00 1.31 C ATOM 352 C ILE A 26 -8.149 -3.129 10.048 1.00 2.40 C ATOM 353 O ILE A 26 -7.964 -2.625 11.157 1.00 4.38 O ATOM 354 CB ILE A 26 -9.528 -1.506 8.672 1.00 1.01 C ATOM 355 CG1 ILE A 26 -9.625 -0.310 9.644 1.00 1.64 C ATOM 356 CG2 ILE A 26 -10.622 -1.408 7.599 1.00 1.20 C ATOM 357 CD1 ILE A 26 -10.824 -0.216 10.594 1.00 1.25 C ATOM 0 H ILE A 26 -10.374 -2.900 11.166 1.00 1.94 H new ATOM 0 HA ILE A 26 -9.552 -3.609 8.468 1.00 1.31 H new ATOM 0 HB ILE A 26 -8.542 -1.408 8.219 1.00 1.01 H new ATOM 0 HG12 ILE A 26 -8.722 -0.309 10.254 1.00 1.64 H new ATOM 0 HG13 ILE A 26 -9.607 0.601 9.046 1.00 1.64 H new ATOM 0 HG21 ILE A 26 -10.630 -0.403 7.178 1.00 1.20 H new ATOM 0 HG22 ILE A 26 -10.422 -2.131 6.808 1.00 1.20 H new ATOM 0 HG23 ILE A 26 -11.592 -1.621 8.048 1.00 1.20 H new ATOM 0 HD11 ILE A 26 -10.735 0.682 11.205 1.00 1.25 H new ATOM 0 HD12 ILE A 26 -11.745 -0.170 10.014 1.00 1.25 H new ATOM 0 HD13 ILE A 26 -10.846 -1.094 11.240 1.00 1.25 H new ATOM 369 N GLY A 27 -7.236 -3.874 9.427 1.00 1.77 N ATOM 370 CA GLY A 27 -5.848 -4.075 9.877 1.00 2.97 C ATOM 371 C GLY A 27 -4.898 -4.922 8.990 1.00 2.13 C ATOM 372 O GLY A 27 -4.006 -5.551 9.576 1.00 2.17 O ATOM 0 H GLY A 27 -7.444 -4.376 8.564 1.00 1.77 H new ATOM 0 HA2 GLY A 27 -5.395 -3.092 10.003 1.00 2.97 H new ATOM 0 HA3 GLY A 27 -5.883 -4.539 10.863 1.00 2.97 H new ATOM 376 N PRO A 28 -5.044 -5.020 7.645 1.00 1.86 N ATOM 377 CA PRO A 28 -4.335 -5.999 6.800 1.00 1.51 C ATOM 378 C PRO A 28 -2.796 -5.984 6.863 1.00 1.24 C ATOM 379 O PRO A 28 -2.164 -4.972 7.179 1.00 1.39 O ATOM 380 CB PRO A 28 -4.856 -5.817 5.367 1.00 2.18 C ATOM 381 CG PRO A 28 -5.584 -4.481 5.379 1.00 2.80 C ATOM 382 CD PRO A 28 -6.032 -4.338 6.826 1.00 2.43 C ATOM 0 HA PRO A 28 -4.559 -6.988 7.199 1.00 1.51 H new ATOM 0 HB2 PRO A 28 -4.038 -5.814 4.647 1.00 2.18 H new ATOM 0 HB3 PRO A 28 -5.526 -6.629 5.085 1.00 2.18 H new ATOM 0 HG2 PRO A 28 -4.929 -3.663 5.078 1.00 2.80 H new ATOM 0 HG3 PRO A 28 -6.432 -4.479 4.694 1.00 2.80 H new ATOM 0 HD2 PRO A 28 -6.105 -3.287 7.105 1.00 2.43 H new ATOM 0 HD3 PRO A 28 -7.020 -4.775 6.969 1.00 2.43 H new ATOM 390 N ASP A 29 -2.205 -7.136 6.546 1.00 1.30 N ATOM 391 CA ASP A 29 -0.798 -7.488 6.770 1.00 1.26 C ATOM 392 C ASP A 29 0.150 -7.174 5.590 1.00 1.20 C ATOM 393 O ASP A 29 -0.112 -7.537 4.437 1.00 1.51 O ATOM 394 CB ASP A 29 -0.704 -8.962 7.191 1.00 1.73 C ATOM 395 CG ASP A 29 -0.820 -9.099 8.706 1.00 2.10 C ATOM 396 OD1 ASP A 29 -1.954 -9.185 9.236 1.00 3.62 O ATOM 397 OD2 ASP A 29 0.226 -9.069 9.399 1.00 2.34 O ATOM 0 H ASP A 29 -2.723 -7.894 6.100 1.00 1.30 H new ATOM 0 HA ASP A 29 -0.443 -6.842 7.573 1.00 1.26 H new ATOM 0 HB2 ASP A 29 -1.496 -9.535 6.708 1.00 1.73 H new ATOM 0 HB3 ASP A 29 0.244 -9.382 6.855 1.00 1.73 H new ATOM 402 N LEU A 30 1.287 -6.547 5.911 1.00 1.02 N ATOM 403 CA LEU A 30 2.231 -5.892 4.988 1.00 1.02 C ATOM 404 C LEU A 30 3.594 -6.587 4.841 1.00 1.01 C ATOM 405 O LEU A 30 4.283 -6.367 3.843 1.00 1.16 O ATOM 406 CB LEU A 30 2.505 -4.484 5.547 1.00 1.29 C ATOM 407 CG LEU A 30 1.299 -3.546 5.622 1.00 1.28 C ATOM 408 CD1 LEU A 30 1.719 -2.197 6.211 1.00 1.74 C ATOM 409 CD2 LEU A 30 0.717 -3.292 4.229 1.00 1.71 C ATOM 0 H LEU A 30 1.595 -6.477 6.881 1.00 1.02 H new ATOM 0 HA LEU A 30 1.764 -5.912 4.003 1.00 1.02 H new ATOM 0 HB2 LEU A 30 2.923 -4.587 6.548 1.00 1.29 H new ATOM 0 HB3 LEU A 30 3.269 -4.012 4.930 1.00 1.29 H new ATOM 0 HG LEU A 30 0.549 -4.023 6.253 1.00 1.28 H new ATOM 0 HD11 LEU A 30 0.854 -1.536 6.260 1.00 1.74 H new ATOM 0 HD12 LEU A 30 2.119 -2.347 7.214 1.00 1.74 H new ATOM 0 HD13 LEU A 30 2.484 -1.746 5.579 1.00 1.74 H new ATOM 0 HD21 LEU A 30 -0.139 -2.622 4.309 1.00 1.71 H new ATOM 0 HD22 LEU A 30 1.477 -2.835 3.595 1.00 1.71 H new ATOM 0 HD23 LEU A 30 0.398 -4.237 3.790 1.00 1.71 H new ATOM 421 N LEU A 31 4.024 -7.366 5.837 1.00 0.99 N ATOM 422 CA LEU A 31 5.369 -7.956 5.891 1.00 1.05 C ATOM 423 C LEU A 31 5.622 -8.796 4.640 1.00 1.14 C ATOM 424 O LEU A 31 4.845 -9.690 4.296 1.00 1.69 O ATOM 425 CB LEU A 31 5.496 -8.772 7.182 1.00 1.06 C ATOM 426 CG LEU A 31 6.843 -9.360 7.640 1.00 1.39 C ATOM 427 CD1 LEU A 31 7.388 -10.473 6.749 1.00 2.90 C ATOM 428 CD2 LEU A 31 7.887 -8.263 7.814 1.00 2.37 C ATOM 0 H LEU A 31 3.443 -7.609 6.639 1.00 0.99 H new ATOM 0 HA LEU A 31 6.132 -7.177 5.906 1.00 1.05 H new ATOM 0 HB2 LEU A 31 5.137 -8.138 7.993 1.00 1.06 H new ATOM 0 HB3 LEU A 31 4.800 -9.607 7.097 1.00 1.06 H new ATOM 0 HG LEU A 31 6.634 -9.827 8.602 1.00 1.39 H new ATOM 0 HD11 LEU A 31 8.339 -10.826 7.148 1.00 2.90 H new ATOM 0 HD12 LEU A 31 6.677 -11.299 6.722 1.00 2.90 H new ATOM 0 HD13 LEU A 31 7.538 -10.090 5.740 1.00 2.90 H new ATOM 0 HD21 LEU A 31 8.829 -8.705 8.138 1.00 2.37 H new ATOM 0 HD22 LEU A 31 8.035 -7.748 6.865 1.00 2.37 H new ATOM 0 HD23 LEU A 31 7.544 -7.550 8.564 1.00 2.37 H new ATOM 440 N GLY A 32 6.712 -8.464 3.965 1.00 1.20 N ATOM 441 CA GLY A 32 7.142 -9.056 2.691 1.00 1.32 C ATOM 442 C GLY A 32 6.203 -8.883 1.486 1.00 1.04 C ATOM 443 O GLY A 32 6.466 -9.482 0.447 1.00 1.01 O ATOM 0 H GLY A 32 7.354 -7.745 4.298 1.00 1.20 H new ATOM 0 HA2 GLY A 32 8.110 -8.629 2.429 1.00 1.32 H new ATOM 0 HA3 GLY A 32 7.296 -10.123 2.849 1.00 1.32 H new ATOM 447 N VAL A 33 5.125 -8.087 1.545 1.00 0.92 N ATOM 448 CA VAL A 33 4.059 -8.128 0.513 1.00 0.87 C ATOM 449 C VAL A 33 4.526 -7.734 -0.903 1.00 0.71 C ATOM 450 O VAL A 33 4.013 -8.263 -1.892 1.00 0.94 O ATOM 451 CB VAL A 33 2.821 -7.334 0.980 1.00 1.07 C ATOM 452 CG1 VAL A 33 2.994 -5.815 0.871 1.00 1.48 C ATOM 453 CG2 VAL A 33 1.565 -7.756 0.215 1.00 1.85 C ATOM 0 H VAL A 33 4.962 -7.408 2.289 1.00 0.92 H new ATOM 0 HA VAL A 33 3.772 -9.174 0.408 1.00 0.87 H new ATOM 0 HB VAL A 33 2.707 -7.577 2.037 1.00 1.07 H new ATOM 0 HG11 VAL A 33 2.086 -5.320 1.216 1.00 1.48 H new ATOM 0 HG12 VAL A 33 3.836 -5.500 1.487 1.00 1.48 H new ATOM 0 HG13 VAL A 33 3.183 -5.544 -0.168 1.00 1.48 H new ATOM 0 HG21 VAL A 33 0.712 -7.177 0.569 1.00 1.85 H new ATOM 0 HG22 VAL A 33 1.710 -7.575 -0.850 1.00 1.85 H new ATOM 0 HG23 VAL A 33 1.377 -8.817 0.381 1.00 1.85 H new ATOM 463 N THR A 34 5.573 -6.907 -1.025 1.00 0.75 N ATOM 464 CA THR A 34 6.231 -6.564 -2.311 1.00 1.12 C ATOM 465 C THR A 34 6.861 -7.777 -3.024 1.00 1.12 C ATOM 466 O THR A 34 7.077 -7.759 -4.237 1.00 1.50 O ATOM 467 CB THR A 34 7.271 -5.445 -2.090 1.00 1.54 C ATOM 468 OG1 THR A 34 7.609 -4.847 -3.315 1.00 2.96 O ATOM 469 CG2 THR A 34 8.548 -5.894 -1.381 1.00 2.04 C ATOM 0 H THR A 34 6.001 -6.445 -0.223 1.00 0.75 H new ATOM 0 HA THR A 34 5.449 -6.206 -2.980 1.00 1.12 H new ATOM 0 HB THR A 34 6.786 -4.730 -1.425 1.00 1.54 H new ATOM 0 HG1 THR A 34 8.268 -4.138 -3.162 1.00 2.96 H new ATOM 0 HG21 THR A 34 9.220 -5.043 -1.269 1.00 2.04 H new ATOM 0 HG22 THR A 34 8.298 -6.291 -0.397 1.00 2.04 H new ATOM 0 HG23 THR A 34 9.038 -6.669 -1.971 1.00 2.04 H new ATOM 477 N ARG A 35 7.111 -8.870 -2.290 1.00 0.86 N ATOM 478 CA ARG A 35 7.634 -10.157 -2.781 1.00 0.94 C ATOM 479 C ARG A 35 6.531 -11.129 -3.237 1.00 1.04 C ATOM 480 O ARG A 35 6.833 -12.205 -3.750 1.00 1.42 O ATOM 481 CB ARG A 35 8.563 -10.752 -1.700 1.00 1.05 C ATOM 482 CG ARG A 35 9.514 -11.874 -2.154 1.00 2.28 C ATOM 483 CD ARG A 35 10.409 -11.475 -3.336 1.00 3.51 C ATOM 484 NE ARG A 35 11.426 -12.503 -3.608 1.00 4.54 N ATOM 485 CZ ARG A 35 12.703 -12.492 -3.183 1.00 5.33 C ATOM 486 NH1 ARG A 35 13.200 -11.485 -2.447 1.00 5.52 N ATOM 487 NH2 ARG A 35 13.503 -13.518 -3.503 1.00 6.48 N ATOM 0 H ARG A 35 6.946 -8.883 -1.284 1.00 0.86 H new ATOM 0 HA ARG A 35 8.212 -9.981 -3.688 1.00 0.94 H new ATOM 0 HB2 ARG A 35 9.164 -9.943 -1.284 1.00 1.05 H new ATOM 0 HB3 ARG A 35 7.942 -11.137 -0.891 1.00 1.05 H new ATOM 0 HG2 ARG A 35 10.144 -12.168 -1.314 1.00 2.28 H new ATOM 0 HG3 ARG A 35 8.926 -12.748 -2.433 1.00 2.28 H new ATOM 0 HD2 ARG A 35 9.796 -11.323 -4.224 1.00 3.51 H new ATOM 0 HD3 ARG A 35 10.898 -10.525 -3.120 1.00 3.51 H new ATOM 0 HE ARG A 35 11.135 -13.301 -4.173 1.00 4.54 H new ATOM 0 HH11 ARG A 35 12.605 -10.696 -2.193 1.00 5.52 H new ATOM 0 HH12 ARG A 35 14.173 -11.509 -2.141 1.00 5.52 H new ATOM 0 HH21 ARG A 35 13.142 -14.292 -4.061 1.00 6.48 H new ATOM 0 HH22 ARG A 35 14.473 -13.525 -3.189 1.00 6.48 H new ATOM 501 N GLN A 36 5.260 -10.770 -3.028 1.00 0.97 N ATOM 502 CA GLN A 36 4.088 -11.637 -3.247 1.00 1.08 C ATOM 503 C GLN A 36 3.004 -11.043 -4.167 1.00 1.12 C ATOM 504 O GLN A 36 2.411 -11.779 -4.960 1.00 1.35 O ATOM 505 CB GLN A 36 3.484 -12.013 -1.879 1.00 1.24 C ATOM 506 CG GLN A 36 4.451 -12.789 -0.959 1.00 2.00 C ATOM 507 CD GLN A 36 4.892 -14.133 -1.533 1.00 3.37 C ATOM 508 OE1 GLN A 36 4.320 -14.679 -2.469 1.00 4.24 O ATOM 509 NE2 GLN A 36 5.942 -14.724 -1.021 1.00 4.57 N ATOM 0 H GLN A 36 5.006 -9.841 -2.692 1.00 0.97 H new ATOM 0 HA GLN A 36 4.450 -12.518 -3.777 1.00 1.08 H new ATOM 0 HB2 GLN A 36 3.167 -11.103 -1.371 1.00 1.24 H new ATOM 0 HB3 GLN A 36 2.590 -12.616 -2.041 1.00 1.24 H new ATOM 0 HG2 GLN A 36 5.333 -12.176 -0.772 1.00 2.00 H new ATOM 0 HG3 GLN A 36 3.969 -12.955 0.004 1.00 2.00 H new ATOM 0 HE21 GLN A 36 6.439 -14.294 -0.241 1.00 4.57 H new ATOM 0 HE22 GLN A 36 6.263 -15.614 -1.402 1.00 4.57 H new ATOM 518 N ARG A 37 2.743 -9.728 -4.102 1.00 1.18 N ATOM 519 CA ARG A 37 1.698 -9.027 -4.886 1.00 1.56 C ATOM 520 C ARG A 37 2.236 -8.365 -6.177 1.00 1.83 C ATOM 521 O ARG A 37 1.504 -7.638 -6.844 1.00 3.62 O ATOM 522 CB ARG A 37 1.001 -8.035 -3.923 1.00 1.69 C ATOM 523 CG ARG A 37 -0.374 -7.487 -4.358 1.00 1.91 C ATOM 524 CD ARG A 37 -1.495 -8.533 -4.428 1.00 1.74 C ATOM 525 NE ARG A 37 -1.999 -8.880 -3.091 1.00 1.48 N ATOM 526 CZ ARG A 37 -2.772 -9.941 -2.796 1.00 1.75 C ATOM 527 NH1 ARG A 37 -3.092 -10.859 -3.721 1.00 2.45 N ATOM 528 NH2 ARG A 37 -3.237 -10.081 -1.548 1.00 1.81 N ATOM 0 H ARG A 37 3.263 -9.101 -3.488 1.00 1.18 H new ATOM 0 HA ARG A 37 0.972 -9.745 -5.267 1.00 1.56 H new ATOM 0 HB2 ARG A 37 0.880 -8.528 -2.958 1.00 1.69 H new ATOM 0 HB3 ARG A 37 1.669 -7.188 -3.767 1.00 1.69 H new ATOM 0 HG2 ARG A 37 -0.672 -6.702 -3.663 1.00 1.91 H new ATOM 0 HG3 ARG A 37 -0.270 -7.022 -5.338 1.00 1.91 H new ATOM 0 HD2 ARG A 37 -2.313 -8.149 -5.037 1.00 1.74 H new ATOM 0 HD3 ARG A 37 -1.124 -9.431 -4.922 1.00 1.74 H new ATOM 0 HE ARG A 37 -1.740 -8.263 -2.321 1.00 1.48 H new ATOM 0 HH11 ARG A 37 -2.747 -10.762 -4.676 1.00 2.45 H new ATOM 0 HH12 ARG A 37 -3.680 -11.653 -3.469 1.00 2.45 H new ATOM 0 HH21 ARG A 37 -3.004 -9.389 -0.836 1.00 1.81 H new ATOM 0 HH22 ARG A 37 -3.824 -10.880 -1.309 1.00 1.81 H new ATOM 542 N ASP A 38 3.484 -8.670 -6.550 1.00 1.54 N ATOM 543 CA ASP A 38 4.324 -8.043 -7.573 1.00 1.56 C ATOM 544 C ASP A 38 4.631 -6.548 -7.346 1.00 1.38 C ATOM 545 O ASP A 38 3.747 -5.719 -7.138 1.00 1.44 O ATOM 546 CB ASP A 38 3.798 -8.309 -8.981 1.00 1.85 C ATOM 547 CG ASP A 38 3.950 -9.738 -9.498 1.00 3.37 C ATOM 548 OD1 ASP A 38 4.137 -10.702 -8.717 1.00 5.00 O ATOM 549 OD2 ASP A 38 3.849 -9.915 -10.734 1.00 3.50 O ATOM 0 H ASP A 38 3.978 -9.439 -6.097 1.00 1.54 H new ATOM 0 HA ASP A 38 5.291 -8.536 -7.470 1.00 1.56 H new ATOM 0 HB2 ASP A 38 2.741 -8.046 -9.007 1.00 1.85 H new ATOM 0 HB3 ASP A 38 4.311 -7.639 -9.671 1.00 1.85 H new ATOM 554 N ALA A 39 5.918 -6.197 -7.414 1.00 1.34 N ATOM 555 CA ALA A 39 6.448 -4.918 -6.955 1.00 1.24 C ATOM 556 C ALA A 39 5.956 -3.711 -7.771 1.00 1.28 C ATOM 557 O ALA A 39 5.440 -2.764 -7.181 1.00 1.69 O ATOM 558 CB ALA A 39 7.977 -5.008 -6.934 1.00 1.30 C ATOM 0 H ALA A 39 6.635 -6.812 -7.800 1.00 1.34 H new ATOM 0 HA ALA A 39 6.067 -4.736 -5.950 1.00 1.24 H new ATOM 0 HB1 ALA A 39 8.393 -4.060 -6.593 1.00 1.30 H new ATOM 0 HB2 ALA A 39 8.285 -5.804 -6.256 1.00 1.30 H new ATOM 0 HB3 ALA A 39 8.343 -5.224 -7.938 1.00 1.30 H new ATOM 564 N ASN A 40 6.069 -3.713 -9.106 1.00 1.17 N ATOM 565 CA ASN A 40 5.696 -2.526 -9.889 1.00 1.19 C ATOM 566 C ASN A 40 4.183 -2.247 -9.820 1.00 1.09 C ATOM 567 O ASN A 40 3.786 -1.094 -9.670 1.00 1.12 O ATOM 568 CB ASN A 40 6.224 -2.626 -11.331 1.00 1.39 C ATOM 569 CG ASN A 40 6.114 -1.284 -12.041 1.00 1.89 C ATOM 570 OD1 ASN A 40 5.322 -1.087 -12.954 1.00 3.48 O ATOM 571 ND2 ASN A 40 6.893 -0.314 -11.621 1.00 2.22 N ATOM 0 H ASN A 40 6.407 -4.502 -9.656 1.00 1.17 H new ATOM 0 HA ASN A 40 6.179 -1.659 -9.438 1.00 1.19 H new ATOM 0 HB2 ASN A 40 7.264 -2.953 -11.321 1.00 1.39 H new ATOM 0 HB3 ASN A 40 5.658 -3.380 -11.879 1.00 1.39 H new ATOM 0 HD21 ASN A 40 6.840 0.607 -12.055 1.00 2.22 H new ATOM 0 HD22 ASN A 40 7.551 -0.482 -10.860 1.00 2.22 H new ATOM 578 N TRP A 41 3.344 -3.290 -9.815 1.00 1.05 N ATOM 579 CA TRP A 41 1.908 -3.150 -9.559 1.00 0.96 C ATOM 580 C TRP A 41 1.641 -2.568 -8.164 1.00 0.85 C ATOM 581 O TRP A 41 0.898 -1.594 -8.042 1.00 0.79 O ATOM 582 CB TRP A 41 1.195 -4.500 -9.736 1.00 0.94 C ATOM 583 CG TRP A 41 -0.287 -4.398 -9.550 1.00 0.81 C ATOM 584 CD1 TRP A 41 -1.187 -4.113 -10.520 1.00 0.78 C ATOM 585 CD2 TRP A 41 -1.053 -4.450 -8.305 1.00 0.72 C ATOM 586 NE1 TRP A 41 -2.445 -3.970 -9.968 1.00 0.69 N ATOM 587 CE2 TRP A 41 -2.412 -4.133 -8.597 1.00 0.68 C ATOM 588 CE3 TRP A 41 -0.722 -4.695 -6.951 1.00 0.77 C ATOM 589 CZ2 TRP A 41 -3.383 -4.034 -7.591 1.00 0.77 C ATOM 590 CZ3 TRP A 41 -1.690 -4.574 -5.936 1.00 0.82 C ATOM 591 CH2 TRP A 41 -3.017 -4.241 -6.252 1.00 0.85 C ATOM 0 H TRP A 41 3.641 -4.250 -9.988 1.00 1.05 H new ATOM 0 HA TRP A 41 1.504 -2.448 -10.289 1.00 0.96 H new ATOM 0 HB2 TRP A 41 1.406 -4.890 -10.732 1.00 0.94 H new ATOM 0 HB3 TRP A 41 1.599 -5.216 -9.020 1.00 0.94 H new ATOM 0 HD1 TRP A 41 -0.956 -4.012 -11.570 1.00 0.78 H new ATOM 0 HE1 TRP A 41 -3.290 -3.770 -10.504 1.00 0.69 H new ATOM 0 HE3 TRP A 41 0.288 -4.979 -6.693 1.00 0.77 H new ATOM 0 HZ2 TRP A 41 -4.406 -3.800 -7.845 1.00 0.77 H new ATOM 0 HZ3 TRP A 41 -1.410 -4.739 -4.906 1.00 0.82 H new ATOM 0 HH2 TRP A 41 -3.753 -4.145 -5.468 1.00 0.85 H new ATOM 602 N LEU A 42 2.281 -3.109 -7.119 1.00 0.87 N ATOM 603 CA LEU A 42 2.105 -2.684 -5.724 1.00 0.81 C ATOM 604 C LEU A 42 2.484 -1.205 -5.532 1.00 0.81 C ATOM 605 O LEU A 42 1.729 -0.447 -4.917 1.00 0.76 O ATOM 606 CB LEU A 42 2.936 -3.658 -4.856 1.00 0.98 C ATOM 607 CG LEU A 42 2.772 -3.661 -3.327 1.00 1.22 C ATOM 608 CD1 LEU A 42 3.317 -2.415 -2.629 1.00 1.92 C ATOM 609 CD2 LEU A 42 1.318 -3.881 -2.919 1.00 2.76 C ATOM 0 H LEU A 42 2.951 -3.871 -7.222 1.00 0.87 H new ATOM 0 HA LEU A 42 1.060 -2.733 -5.419 1.00 0.81 H new ATOM 0 HB2 LEU A 42 2.721 -4.668 -5.206 1.00 0.98 H new ATOM 0 HB3 LEU A 42 3.987 -3.464 -5.068 1.00 0.98 H new ATOM 0 HG LEU A 42 3.382 -4.499 -2.990 1.00 1.22 H new ATOM 0 HD11 LEU A 42 3.159 -2.502 -1.554 1.00 1.92 H new ATOM 0 HD12 LEU A 42 4.384 -2.321 -2.833 1.00 1.92 H new ATOM 0 HD13 LEU A 42 2.797 -1.532 -3.002 1.00 1.92 H new ATOM 0 HD21 LEU A 42 1.241 -3.877 -1.832 1.00 2.76 H new ATOM 0 HD22 LEU A 42 0.700 -3.083 -3.330 1.00 2.76 H new ATOM 0 HD23 LEU A 42 0.973 -4.841 -3.304 1.00 2.76 H new ATOM 621 N VAL A 43 3.616 -0.781 -6.104 1.00 0.97 N ATOM 622 CA VAL A 43 4.144 0.594 -6.018 1.00 1.08 C ATOM 623 C VAL A 43 3.363 1.585 -6.905 1.00 1.14 C ATOM 624 O VAL A 43 3.279 2.770 -6.576 1.00 1.34 O ATOM 625 CB VAL A 43 5.663 0.605 -6.310 1.00 1.34 C ATOM 626 CG1 VAL A 43 6.281 2.004 -6.189 1.00 1.57 C ATOM 627 CG2 VAL A 43 6.420 -0.273 -5.299 1.00 1.52 C ATOM 0 H VAL A 43 4.211 -1.399 -6.656 1.00 0.97 H new ATOM 0 HA VAL A 43 3.998 0.945 -4.996 1.00 1.08 H new ATOM 0 HB VAL A 43 5.759 0.236 -7.331 1.00 1.34 H new ATOM 0 HG11 VAL A 43 7.348 1.950 -6.405 1.00 1.57 H new ATOM 0 HG12 VAL A 43 5.801 2.677 -6.900 1.00 1.57 H new ATOM 0 HG13 VAL A 43 6.134 2.380 -5.177 1.00 1.57 H new ATOM 0 HG21 VAL A 43 7.486 -0.250 -5.524 1.00 1.52 H new ATOM 0 HG22 VAL A 43 6.254 0.107 -4.291 1.00 1.52 H new ATOM 0 HG23 VAL A 43 6.057 -1.299 -5.365 1.00 1.52 H new ATOM 637 N ARG A 44 2.729 1.129 -7.993 1.00 1.08 N ATOM 638 CA ARG A 44 1.744 1.916 -8.768 1.00 1.11 C ATOM 639 C ARG A 44 0.391 2.049 -8.062 1.00 1.00 C ATOM 640 O ARG A 44 -0.217 3.118 -8.130 1.00 1.20 O ATOM 641 CB ARG A 44 1.558 1.314 -10.171 1.00 1.14 C ATOM 642 CG ARG A 44 2.721 1.665 -11.108 1.00 2.56 C ATOM 643 CD ARG A 44 2.526 0.987 -12.469 1.00 3.00 C ATOM 644 NE ARG A 44 3.578 1.377 -13.422 1.00 4.48 N ATOM 645 CZ ARG A 44 3.450 2.225 -14.459 1.00 4.88 C ATOM 646 NH1 ARG A 44 2.294 2.848 -14.733 1.00 4.20 N ATOM 647 NH2 ARG A 44 4.513 2.453 -15.243 1.00 6.59 N ATOM 0 H ARG A 44 2.883 0.193 -8.369 1.00 1.08 H new ATOM 0 HA ARG A 44 2.152 2.923 -8.855 1.00 1.11 H new ATOM 0 HB2 ARG A 44 1.471 0.230 -10.092 1.00 1.14 H new ATOM 0 HB3 ARG A 44 0.625 1.678 -10.600 1.00 1.14 H new ATOM 0 HG2 ARG A 44 2.781 2.746 -11.237 1.00 2.56 H new ATOM 0 HG3 ARG A 44 3.664 1.344 -10.665 1.00 2.56 H new ATOM 0 HD2 ARG A 44 2.532 -0.096 -12.342 1.00 3.00 H new ATOM 0 HD3 ARG A 44 1.550 1.255 -12.873 1.00 3.00 H new ATOM 0 HE ARG A 44 4.499 0.962 -13.282 1.00 4.48 H new ATOM 0 HH11 ARG A 44 1.475 2.685 -14.147 1.00 4.20 H new ATOM 0 HH12 ARG A 44 2.234 3.485 -15.528 1.00 4.20 H new ATOM 0 HH21 ARG A 44 5.399 1.987 -15.049 1.00 6.59 H new ATOM 0 HH22 ARG A 44 4.436 3.092 -16.034 1.00 6.59 H new ATOM 661 N TRP A 45 -0.073 0.989 -7.395 1.00 0.79 N ATOM 662 CA TRP A 45 -1.371 0.900 -6.709 1.00 0.78 C ATOM 663 C TRP A 45 -1.464 1.831 -5.498 1.00 0.80 C ATOM 664 O TRP A 45 -2.353 2.681 -5.443 1.00 0.99 O ATOM 665 CB TRP A 45 -1.615 -0.563 -6.295 1.00 0.72 C ATOM 666 CG TRP A 45 -2.744 -0.814 -5.336 1.00 0.81 C ATOM 667 CD1 TRP A 45 -2.619 -1.367 -4.105 1.00 1.01 C ATOM 668 CD2 TRP A 45 -4.175 -0.555 -5.509 1.00 0.94 C ATOM 669 NE1 TRP A 45 -3.871 -1.512 -3.532 1.00 1.19 N ATOM 670 CE2 TRP A 45 -4.861 -1.011 -4.345 1.00 1.15 C ATOM 671 CE3 TRP A 45 -4.964 0.020 -6.527 1.00 1.07 C ATOM 672 CZ2 TRP A 45 -6.252 -0.917 -4.200 1.00 1.37 C ATOM 673 CZ3 TRP A 45 -6.361 0.129 -6.389 1.00 1.32 C ATOM 674 CH2 TRP A 45 -7.007 -0.336 -5.231 1.00 1.44 C ATOM 0 H TRP A 45 0.468 0.128 -7.313 1.00 0.79 H new ATOM 0 HA TRP A 45 -2.145 1.228 -7.402 1.00 0.78 H new ATOM 0 HB2 TRP A 45 -1.799 -1.146 -7.198 1.00 0.72 H new ATOM 0 HB3 TRP A 45 -0.698 -0.948 -5.849 1.00 0.72 H new ATOM 0 HD1 TRP A 45 -1.686 -1.651 -3.642 1.00 1.01 H new ATOM 0 HE1 TRP A 45 -4.038 -1.937 -2.620 1.00 1.19 H new ATOM 0 HE3 TRP A 45 -4.489 0.382 -7.427 1.00 1.07 H new ATOM 0 HZ2 TRP A 45 -6.736 -1.286 -3.308 1.00 1.37 H new ATOM 0 HZ3 TRP A 45 -6.943 0.575 -7.182 1.00 1.32 H new ATOM 0 HH2 TRP A 45 -8.079 -0.247 -5.135 1.00 1.44 H new ATOM 685 N LEU A 46 -0.517 1.730 -4.556 1.00 0.73 N ATOM 686 CA LEU A 46 -0.597 2.404 -3.248 1.00 0.86 C ATOM 687 C LEU A 46 -0.517 3.946 -3.309 1.00 0.86 C ATOM 688 O LEU A 46 -0.653 4.616 -2.287 1.00 1.04 O ATOM 689 CB LEU A 46 0.410 1.754 -2.271 1.00 1.00 C ATOM 690 CG LEU A 46 1.776 2.442 -2.065 1.00 1.16 C ATOM 691 CD1 LEU A 46 2.648 1.543 -1.186 1.00 2.33 C ATOM 692 CD2 LEU A 46 2.519 2.677 -3.374 1.00 2.16 C ATOM 0 H LEU A 46 0.331 1.177 -4.678 1.00 0.73 H new ATOM 0 HA LEU A 46 -1.602 2.245 -2.856 1.00 0.86 H new ATOM 0 HB2 LEU A 46 -0.074 1.677 -1.297 1.00 1.00 H new ATOM 0 HB3 LEU A 46 0.598 0.737 -2.615 1.00 1.00 H new ATOM 0 HG LEU A 46 1.586 3.411 -1.604 1.00 1.16 H new ATOM 0 HD11 LEU A 46 3.618 2.016 -1.031 1.00 2.33 H new ATOM 0 HD12 LEU A 46 2.160 1.392 -0.223 1.00 2.33 H new ATOM 0 HD13 LEU A 46 2.788 0.580 -1.677 1.00 2.33 H new ATOM 0 HD21 LEU A 46 3.473 3.163 -3.169 1.00 2.16 H new ATOM 0 HD22 LEU A 46 2.698 1.722 -3.868 1.00 2.16 H new ATOM 0 HD23 LEU A 46 1.919 3.314 -4.024 1.00 2.16 H new ATOM 704 N LYS A 47 -0.271 4.494 -4.506 1.00 0.77 N ATOM 705 CA LYS A 47 -0.119 5.918 -4.809 1.00 0.82 C ATOM 706 C LYS A 47 -1.443 6.592 -5.201 1.00 0.78 C ATOM 707 O LYS A 47 -1.574 7.794 -4.985 1.00 1.04 O ATOM 708 CB LYS A 47 0.952 6.017 -5.915 1.00 0.90 C ATOM 709 CG LYS A 47 1.509 7.434 -6.130 1.00 1.07 C ATOM 710 CD LYS A 47 2.746 7.436 -7.047 1.00 1.18 C ATOM 711 CE LYS A 47 2.406 7.161 -8.520 1.00 2.34 C ATOM 712 NZ LYS A 47 3.630 6.978 -9.338 1.00 2.74 N ATOM 0 H LYS A 47 -0.167 3.916 -5.340 1.00 0.77 H new ATOM 0 HA LYS A 47 0.196 6.464 -3.920 1.00 0.82 H new ATOM 0 HB2 LYS A 47 1.777 5.349 -5.667 1.00 0.90 H new ATOM 0 HB3 LYS A 47 0.524 5.661 -6.852 1.00 0.90 H new ATOM 0 HG2 LYS A 47 0.734 8.066 -6.565 1.00 1.07 H new ATOM 0 HG3 LYS A 47 1.772 7.870 -5.166 1.00 1.07 H new ATOM 0 HD2 LYS A 47 3.246 8.401 -6.970 1.00 1.18 H new ATOM 0 HD3 LYS A 47 3.452 6.683 -6.697 1.00 1.18 H new ATOM 0 HE2 LYS A 47 1.784 6.269 -8.590 1.00 2.34 H new ATOM 0 HE3 LYS A 47 1.821 7.989 -8.920 1.00 2.34 H new ATOM 0 HZ1 LYS A 47 3.363 6.794 -10.326 1.00 2.74 H new ATOM 0 HZ2 LYS A 47 4.211 7.839 -9.291 1.00 2.74 H new ATOM 0 HZ3 LYS A 47 4.175 6.172 -8.971 1.00 2.74 H new ATOM 726 N VAL A 48 -2.390 5.838 -5.784 1.00 0.61 N ATOM 727 CA VAL A 48 -3.608 6.349 -6.459 1.00 0.57 C ATOM 728 C VAL A 48 -4.798 5.345 -6.487 1.00 0.49 C ATOM 729 O VAL A 48 -5.391 5.118 -7.545 1.00 0.53 O ATOM 730 CB VAL A 48 -3.267 6.804 -7.902 1.00 0.66 C ATOM 731 CG1 VAL A 48 -2.424 8.080 -7.966 1.00 2.18 C ATOM 732 CG2 VAL A 48 -2.575 5.713 -8.732 1.00 2.65 C ATOM 0 H VAL A 48 -2.332 4.820 -5.802 1.00 0.61 H new ATOM 0 HA VAL A 48 -3.944 7.195 -5.859 1.00 0.57 H new ATOM 0 HB VAL A 48 -4.244 7.017 -8.337 1.00 0.66 H new ATOM 0 HG11 VAL A 48 -2.227 8.334 -9.008 1.00 2.18 H new ATOM 0 HG12 VAL A 48 -2.965 8.898 -7.489 1.00 2.18 H new ATOM 0 HG13 VAL A 48 -1.479 7.918 -7.447 1.00 2.18 H new ATOM 0 HG21 VAL A 48 -2.364 6.095 -9.731 1.00 2.65 H new ATOM 0 HG22 VAL A 48 -1.642 5.425 -8.248 1.00 2.65 H new ATOM 0 HG23 VAL A 48 -3.228 4.844 -8.807 1.00 2.65 H new ATOM 742 N PRO A 49 -5.172 4.686 -5.370 1.00 0.48 N ATOM 743 CA PRO A 49 -6.115 3.555 -5.383 1.00 0.49 C ATOM 744 C PRO A 49 -7.502 3.851 -5.998 1.00 0.59 C ATOM 745 O PRO A 49 -7.997 3.059 -6.805 1.00 0.91 O ATOM 746 CB PRO A 49 -6.220 3.100 -3.921 1.00 0.60 C ATOM 747 CG PRO A 49 -5.787 4.331 -3.120 1.00 0.67 C ATOM 748 CD PRO A 49 -4.714 4.936 -4.015 1.00 0.57 C ATOM 0 HA PRO A 49 -5.733 2.777 -6.044 1.00 0.49 H new ATOM 0 HB2 PRO A 49 -7.236 2.797 -3.669 1.00 0.60 H new ATOM 0 HB3 PRO A 49 -5.573 2.246 -3.721 1.00 0.60 H new ATOM 0 HG2 PRO A 49 -6.615 5.020 -2.954 1.00 0.67 H new ATOM 0 HG3 PRO A 49 -5.395 4.061 -2.139 1.00 0.67 H new ATOM 0 HD2 PRO A 49 -4.599 6.004 -3.828 1.00 0.57 H new ATOM 0 HD3 PRO A 49 -3.743 4.475 -3.835 1.00 0.57 H new ATOM 756 N ASP A 50 -8.120 5.001 -5.701 1.00 0.58 N ATOM 757 CA ASP A 50 -9.434 5.375 -6.255 1.00 0.69 C ATOM 758 C ASP A 50 -9.368 5.658 -7.765 1.00 0.68 C ATOM 759 O ASP A 50 -10.304 5.330 -8.502 1.00 0.81 O ATOM 760 CB ASP A 50 -9.975 6.602 -5.499 1.00 0.91 C ATOM 761 CG ASP A 50 -11.233 7.200 -6.130 1.00 1.38 C ATOM 762 OD1 ASP A 50 -12.342 6.686 -5.859 1.00 2.40 O ATOM 763 OD2 ASP A 50 -11.131 8.220 -6.859 1.00 2.51 O ATOM 0 H ASP A 50 -7.726 5.700 -5.071 1.00 0.58 H new ATOM 0 HA ASP A 50 -10.110 4.531 -6.121 1.00 0.69 H new ATOM 0 HB2 ASP A 50 -10.194 6.317 -4.470 1.00 0.91 H new ATOM 0 HB3 ASP A 50 -9.199 7.366 -5.460 1.00 0.91 H new ATOM 768 N GLN A 51 -8.252 6.229 -8.228 1.00 0.67 N ATOM 769 CA GLN A 51 -8.032 6.563 -9.632 1.00 0.83 C ATOM 770 C GLN A 51 -7.637 5.323 -10.455 1.00 0.88 C ATOM 771 O GLN A 51 -8.014 5.220 -11.625 1.00 1.08 O ATOM 772 CB GLN A 51 -6.975 7.670 -9.665 1.00 1.06 C ATOM 773 CG GLN A 51 -6.757 8.306 -11.038 1.00 1.47 C ATOM 774 CD GLN A 51 -5.664 9.375 -11.025 1.00 2.24 C ATOM 775 OE1 GLN A 51 -5.232 9.882 -9.994 1.00 2.93 O ATOM 776 NE2 GLN A 51 -5.179 9.775 -12.180 1.00 3.01 N ATOM 0 H GLN A 51 -7.466 6.475 -7.626 1.00 0.67 H new ATOM 0 HA GLN A 51 -8.949 6.921 -10.099 1.00 0.83 H new ATOM 0 HB2 GLN A 51 -7.264 8.450 -8.960 1.00 1.06 H new ATOM 0 HB3 GLN A 51 -6.028 7.259 -9.316 1.00 1.06 H new ATOM 0 HG2 GLN A 51 -6.492 7.530 -11.756 1.00 1.47 H new ATOM 0 HG3 GLN A 51 -7.691 8.751 -11.380 1.00 1.47 H new ATOM 0 HE21 GLN A 51 -5.525 9.366 -13.048 1.00 3.01 H new ATOM 0 HE22 GLN A 51 -4.457 10.495 -12.208 1.00 3.01 H new ATOM 785 N MET A 52 -6.949 4.349 -9.846 1.00 0.76 N ATOM 786 CA MET A 52 -6.637 3.058 -10.470 1.00 0.86 C ATOM 787 C MET A 52 -7.900 2.194 -10.633 1.00 0.88 C ATOM 788 O MET A 52 -8.114 1.605 -11.692 1.00 1.07 O ATOM 789 CB MET A 52 -5.557 2.330 -9.649 1.00 0.86 C ATOM 790 CG MET A 52 -5.048 1.061 -10.343 1.00 1.28 C ATOM 791 SD MET A 52 -3.945 1.332 -11.757 1.00 2.06 S ATOM 792 CE MET A 52 -2.347 1.304 -10.901 1.00 1.77 C ATOM 0 H MET A 52 -6.590 4.437 -8.895 1.00 0.76 H new ATOM 0 HA MET A 52 -6.247 3.240 -11.472 1.00 0.86 H new ATOM 0 HB2 MET A 52 -4.720 3.006 -9.475 1.00 0.86 H new ATOM 0 HB3 MET A 52 -5.963 2.068 -8.672 1.00 0.86 H new ATOM 0 HG2 MET A 52 -4.524 0.451 -9.607 1.00 1.28 H new ATOM 0 HG3 MET A 52 -5.908 0.483 -10.681 1.00 1.28 H new ATOM 0 HE1 MET A 52 -1.545 1.457 -11.623 1.00 1.77 H new ATOM 0 HE2 MET A 52 -2.320 2.098 -10.155 1.00 1.77 H new ATOM 0 HE3 MET A 52 -2.214 0.340 -10.410 1.00 1.77 H new ATOM 802 N LEU A 53 -8.800 2.172 -9.636 1.00 0.77 N ATOM 803 CA LEU A 53 -10.123 1.554 -9.804 1.00 0.89 C ATOM 804 C LEU A 53 -10.950 2.279 -10.882 1.00 1.03 C ATOM 805 O LEU A 53 -11.640 1.623 -11.665 1.00 1.23 O ATOM 806 CB LEU A 53 -10.869 1.499 -8.456 1.00 0.93 C ATOM 807 CG LEU A 53 -10.322 0.467 -7.447 1.00 1.25 C ATOM 808 CD1 LEU A 53 -11.059 0.613 -6.115 1.00 1.79 C ATOM 809 CD2 LEU A 53 -10.488 -0.984 -7.917 1.00 2.23 C ATOM 0 H LEU A 53 -8.636 2.572 -8.712 1.00 0.77 H new ATOM 0 HA LEU A 53 -9.978 0.530 -10.149 1.00 0.89 H new ATOM 0 HB2 LEU A 53 -10.832 2.487 -7.997 1.00 0.93 H new ATOM 0 HB3 LEU A 53 -11.918 1.275 -8.648 1.00 0.93 H new ATOM 0 HG LEU A 53 -9.256 0.672 -7.346 1.00 1.25 H new ATOM 0 HD11 LEU A 53 -10.672 -0.116 -5.403 1.00 1.79 H new ATOM 0 HD12 LEU A 53 -10.907 1.619 -5.723 1.00 1.79 H new ATOM 0 HD13 LEU A 53 -12.124 0.441 -6.268 1.00 1.79 H new ATOM 0 HD21 LEU A 53 -10.084 -1.659 -7.163 1.00 2.23 H new ATOM 0 HD22 LEU A 53 -11.546 -1.199 -8.067 1.00 2.23 H new ATOM 0 HD23 LEU A 53 -9.952 -1.126 -8.856 1.00 2.23 H new ATOM 821 N ALA A 54 -10.843 3.610 -10.994 1.00 0.98 N ATOM 822 CA ALA A 54 -11.505 4.382 -12.051 1.00 1.12 C ATOM 823 C ALA A 54 -10.928 4.149 -13.468 1.00 1.25 C ATOM 824 O ALA A 54 -11.639 4.399 -14.444 1.00 1.57 O ATOM 825 CB ALA A 54 -11.491 5.869 -11.673 1.00 1.12 C ATOM 0 H ALA A 54 -10.294 4.181 -10.352 1.00 0.98 H new ATOM 0 HA ALA A 54 -12.532 4.022 -12.114 1.00 1.12 H new ATOM 0 HB1 ALA A 54 -11.982 6.448 -12.455 1.00 1.12 H new ATOM 0 HB2 ALA A 54 -12.021 6.010 -10.731 1.00 1.12 H new ATOM 0 HB3 ALA A 54 -10.460 6.207 -11.564 1.00 1.12 H new ATOM 831 N GLU A 55 -9.691 3.642 -13.599 1.00 1.08 N ATOM 832 CA GLU A 55 -9.101 3.208 -14.884 1.00 1.18 C ATOM 833 C GLU A 55 -9.342 1.717 -15.202 1.00 1.24 C ATOM 834 O GLU A 55 -8.963 1.241 -16.279 1.00 1.50 O ATOM 835 CB GLU A 55 -7.614 3.616 -15.002 1.00 1.30 C ATOM 836 CG GLU A 55 -6.558 2.646 -14.453 1.00 1.40 C ATOM 837 CD GLU A 55 -5.174 2.958 -15.030 1.00 1.88 C ATOM 838 OE1 GLU A 55 -4.590 4.028 -14.726 1.00 2.65 O ATOM 839 OE2 GLU A 55 -4.669 2.138 -15.842 1.00 2.56 O ATOM 0 H GLU A 55 -9.061 3.519 -12.806 1.00 1.08 H new ATOM 0 HA GLU A 55 -9.640 3.750 -15.661 1.00 1.18 H new ATOM 0 HB2 GLU A 55 -7.396 3.786 -16.056 1.00 1.30 H new ATOM 0 HB3 GLU A 55 -7.488 4.571 -14.493 1.00 1.30 H new ATOM 0 HG2 GLU A 55 -6.527 2.714 -13.366 1.00 1.40 H new ATOM 0 HG3 GLU A 55 -6.837 1.622 -14.700 1.00 1.40 H new ATOM 846 N LYS A 56 -9.984 0.986 -14.275 1.00 1.19 N ATOM 847 CA LYS A 56 -10.323 -0.444 -14.349 1.00 1.23 C ATOM 848 C LYS A 56 -9.084 -1.329 -14.548 1.00 1.23 C ATOM 849 O LYS A 56 -8.881 -1.949 -15.596 1.00 1.86 O ATOM 850 CB LYS A 56 -11.469 -0.682 -15.357 1.00 1.63 C ATOM 851 CG LYS A 56 -12.668 0.255 -15.123 1.00 2.44 C ATOM 852 CD LYS A 56 -13.840 -0.085 -16.051 1.00 3.11 C ATOM 853 CE LYS A 56 -14.921 0.996 -15.940 1.00 4.22 C ATOM 854 NZ LYS A 56 -16.047 0.737 -16.864 1.00 4.80 N ATOM 0 H LYS A 56 -10.299 1.405 -13.400 1.00 1.19 H new ATOM 0 HA LYS A 56 -10.713 -0.763 -13.382 1.00 1.23 H new ATOM 0 HB2 LYS A 56 -11.093 -0.538 -16.370 1.00 1.63 H new ATOM 0 HB3 LYS A 56 -11.802 -1.717 -15.285 1.00 1.63 H new ATOM 0 HG2 LYS A 56 -12.992 0.180 -14.085 1.00 2.44 H new ATOM 0 HG3 LYS A 56 -12.361 1.288 -15.287 1.00 2.44 H new ATOM 0 HD2 LYS A 56 -13.491 -0.159 -17.081 1.00 3.11 H new ATOM 0 HD3 LYS A 56 -14.256 -1.057 -15.785 1.00 3.11 H new ATOM 0 HE2 LYS A 56 -15.292 1.037 -14.916 1.00 4.22 H new ATOM 0 HE3 LYS A 56 -14.486 1.971 -16.160 1.00 4.22 H new ATOM 0 HZ1 LYS A 56 -16.759 1.488 -16.762 1.00 4.80 H new ATOM 0 HZ2 LYS A 56 -15.696 0.723 -17.843 1.00 4.80 H new ATOM 0 HZ3 LYS A 56 -16.478 -0.182 -16.637 1.00 4.80 H new ATOM 868 N ASP A 57 -8.248 -1.393 -13.518 1.00 0.83 N ATOM 869 CA ASP A 57 -7.058 -2.234 -13.424 1.00 0.86 C ATOM 870 C ASP A 57 -7.477 -3.584 -12.851 1.00 0.89 C ATOM 871 O ASP A 57 -7.852 -3.681 -11.680 1.00 0.88 O ATOM 872 CB ASP A 57 -5.989 -1.558 -12.563 1.00 0.87 C ATOM 873 CG ASP A 57 -4.668 -2.312 -12.695 1.00 1.19 C ATOM 874 OD1 ASP A 57 -4.415 -3.274 -11.938 1.00 2.37 O ATOM 875 OD2 ASP A 57 -3.908 -1.996 -13.643 1.00 1.95 O ATOM 0 H ASP A 57 -8.389 -0.829 -12.680 1.00 0.83 H new ATOM 0 HA ASP A 57 -6.617 -2.384 -14.410 1.00 0.86 H new ATOM 0 HB2 ASP A 57 -5.860 -0.521 -12.874 1.00 0.87 H new ATOM 0 HB3 ASP A 57 -6.306 -1.540 -11.520 1.00 0.87 H new ATOM 880 N PRO A 58 -7.488 -4.629 -13.685 1.00 1.03 N ATOM 881 CA PRO A 58 -8.314 -5.810 -13.464 1.00 1.24 C ATOM 882 C PRO A 58 -7.885 -6.680 -12.286 1.00 1.34 C ATOM 883 O PRO A 58 -8.681 -7.480 -11.795 1.00 2.14 O ATOM 884 CB PRO A 58 -8.196 -6.555 -14.778 1.00 1.40 C ATOM 885 CG PRO A 58 -6.804 -6.194 -15.282 1.00 1.24 C ATOM 886 CD PRO A 58 -6.810 -4.715 -14.970 1.00 1.08 C ATOM 0 HA PRO A 58 -9.333 -5.533 -13.192 1.00 1.24 H new ATOM 0 HB2 PRO A 58 -8.303 -7.631 -14.638 1.00 1.40 H new ATOM 0 HB3 PRO A 58 -8.968 -6.246 -15.483 1.00 1.40 H new ATOM 0 HG2 PRO A 58 -6.014 -6.731 -14.756 1.00 1.24 H new ATOM 0 HG3 PRO A 58 -6.676 -6.399 -16.345 1.00 1.24 H new ATOM 0 HD2 PRO A 58 -5.798 -4.315 -14.915 1.00 1.08 H new ATOM 0 HD3 PRO A 58 -7.336 -4.147 -15.738 1.00 1.08 H new ATOM 894 N LEU A 59 -6.645 -6.507 -11.835 1.00 0.94 N ATOM 895 CA LEU A 59 -6.117 -7.091 -10.604 1.00 0.91 C ATOM 896 C LEU A 59 -6.674 -6.364 -9.368 1.00 0.86 C ATOM 897 O LEU A 59 -7.216 -7.024 -8.489 1.00 1.06 O ATOM 898 CB LEU A 59 -4.575 -7.096 -10.699 1.00 0.92 C ATOM 899 CG LEU A 59 -3.792 -8.092 -9.818 1.00 1.25 C ATOM 900 CD1 LEU A 59 -3.934 -7.845 -8.319 1.00 1.33 C ATOM 901 CD2 LEU A 59 -4.167 -9.547 -10.106 1.00 2.62 C ATOM 0 H LEU A 59 -5.958 -5.939 -12.331 1.00 0.94 H new ATOM 0 HA LEU A 59 -6.444 -8.124 -10.485 1.00 0.91 H new ATOM 0 HB2 LEU A 59 -4.306 -7.288 -11.738 1.00 0.92 H new ATOM 0 HB3 LEU A 59 -4.224 -6.092 -10.459 1.00 0.92 H new ATOM 0 HG LEU A 59 -2.752 -7.915 -10.093 1.00 1.25 H new ATOM 0 HD11 LEU A 59 -3.354 -8.588 -7.771 1.00 1.33 H new ATOM 0 HD12 LEU A 59 -3.567 -6.847 -8.078 1.00 1.33 H new ATOM 0 HD13 LEU A 59 -4.983 -7.923 -8.035 1.00 1.33 H new ATOM 0 HD21 LEU A 59 -3.588 -10.207 -9.460 1.00 2.62 H new ATOM 0 HD22 LEU A 59 -5.230 -9.693 -9.915 1.00 2.62 H new ATOM 0 HD23 LEU A 59 -3.951 -9.779 -11.149 1.00 2.62 H new ATOM 913 N ALA A 60 -6.662 -5.023 -9.315 1.00 0.70 N ATOM 914 CA ALA A 60 -7.172 -4.275 -8.153 1.00 0.65 C ATOM 915 C ALA A 60 -8.651 -4.549 -7.841 1.00 0.60 C ATOM 916 O ALA A 60 -9.043 -4.598 -6.671 1.00 0.62 O ATOM 917 CB ALA A 60 -7.007 -2.773 -8.379 1.00 0.67 C ATOM 0 H ALA A 60 -6.304 -4.432 -10.065 1.00 0.70 H new ATOM 0 HA ALA A 60 -6.583 -4.619 -7.303 1.00 0.65 H new ATOM 0 HB1 ALA A 60 -7.388 -2.231 -7.513 1.00 0.67 H new ATOM 0 HB2 ALA A 60 -5.951 -2.540 -8.518 1.00 0.67 H new ATOM 0 HB3 ALA A 60 -7.564 -2.475 -9.267 1.00 0.67 H new ATOM 923 N MET A 61 -9.458 -4.770 -8.884 1.00 0.61 N ATOM 924 CA MET A 61 -10.897 -5.030 -8.758 1.00 0.62 C ATOM 925 C MET A 61 -11.179 -6.260 -7.879 1.00 0.62 C ATOM 926 O MET A 61 -12.247 -6.336 -7.269 1.00 0.73 O ATOM 927 CB MET A 61 -11.579 -5.224 -10.128 1.00 0.80 C ATOM 928 CG MET A 61 -11.034 -4.396 -11.298 1.00 0.94 C ATOM 929 SD MET A 61 -11.071 -2.590 -11.136 1.00 1.91 S ATOM 930 CE MET A 61 -12.828 -2.296 -11.447 1.00 2.18 C ATOM 0 H MET A 61 -9.128 -4.774 -9.849 1.00 0.61 H new ATOM 0 HA MET A 61 -11.317 -4.144 -8.282 1.00 0.62 H new ATOM 0 HB2 MET A 61 -11.508 -6.278 -10.396 1.00 0.80 H new ATOM 0 HB3 MET A 61 -12.639 -4.995 -10.015 1.00 0.80 H new ATOM 0 HG2 MET A 61 -10.001 -4.697 -11.470 1.00 0.94 H new ATOM 0 HG3 MET A 61 -11.597 -4.665 -12.191 1.00 0.94 H new ATOM 0 HE1 MET A 61 -13.034 -1.227 -11.387 1.00 2.18 H new ATOM 0 HE2 MET A 61 -13.087 -2.660 -12.441 1.00 2.18 H new ATOM 0 HE3 MET A 61 -13.423 -2.823 -10.701 1.00 2.18 H new ATOM 940 N LEU A 62 -10.233 -7.205 -7.787 1.00 0.65 N ATOM 941 CA LEU A 62 -10.331 -8.352 -6.891 1.00 0.82 C ATOM 942 C LEU A 62 -10.185 -7.949 -5.425 1.00 0.97 C ATOM 943 O LEU A 62 -11.013 -8.372 -4.613 1.00 1.16 O ATOM 944 CB LEU A 62 -9.253 -9.404 -7.198 1.00 1.07 C ATOM 945 CG LEU A 62 -9.623 -10.452 -8.258 1.00 1.37 C ATOM 946 CD1 LEU A 62 -9.874 -9.845 -9.634 1.00 2.64 C ATOM 947 CD2 LEU A 62 -8.482 -11.463 -8.376 1.00 2.05 C ATOM 0 H LEU A 62 -9.375 -7.189 -8.338 1.00 0.65 H new ATOM 0 HA LEU A 62 -11.323 -8.772 -7.058 1.00 0.82 H new ATOM 0 HB2 LEU A 62 -8.351 -8.887 -7.525 1.00 1.07 H new ATOM 0 HB3 LEU A 62 -9.005 -9.923 -6.272 1.00 1.07 H new ATOM 0 HG LEU A 62 -10.550 -10.924 -7.932 1.00 1.37 H new ATOM 0 HD11 LEU A 62 -10.131 -10.636 -10.339 1.00 2.64 H new ATOM 0 HD12 LEU A 62 -10.696 -9.132 -9.573 1.00 2.64 H new ATOM 0 HD13 LEU A 62 -8.974 -9.333 -9.975 1.00 2.64 H new ATOM 0 HD21 LEU A 62 -8.735 -12.212 -9.127 1.00 2.05 H new ATOM 0 HD22 LEU A 62 -7.568 -10.948 -8.672 1.00 2.05 H new ATOM 0 HD23 LEU A 62 -8.328 -11.952 -7.414 1.00 2.05 H new ATOM 959 N LEU A 63 -9.131 -7.194 -5.073 1.00 0.99 N ATOM 960 CA LEU A 63 -8.769 -7.065 -3.650 1.00 1.25 C ATOM 961 C LEU A 63 -9.807 -6.210 -2.934 1.00 1.30 C ATOM 962 O LEU A 63 -10.232 -6.523 -1.825 1.00 1.59 O ATOM 963 CB LEU A 63 -7.369 -6.464 -3.399 1.00 1.50 C ATOM 964 CG LEU A 63 -6.129 -7.106 -4.047 1.00 1.24 C ATOM 965 CD1 LEU A 63 -6.199 -8.628 -4.150 1.00 3.26 C ATOM 966 CD2 LEU A 63 -5.890 -6.501 -5.423 1.00 2.79 C ATOM 0 H LEU A 63 -8.535 -6.682 -5.724 1.00 0.99 H new ATOM 0 HA LEU A 63 -8.745 -8.082 -3.258 1.00 1.25 H new ATOM 0 HB2 LEU A 63 -7.401 -5.423 -3.721 1.00 1.50 H new ATOM 0 HB3 LEU A 63 -7.206 -6.460 -2.321 1.00 1.50 H new ATOM 0 HG LEU A 63 -5.292 -6.887 -3.384 1.00 1.24 H new ATOM 0 HD11 LEU A 63 -5.289 -9.003 -4.617 1.00 3.26 H new ATOM 0 HD12 LEU A 63 -6.298 -9.056 -3.152 1.00 3.26 H new ATOM 0 HD13 LEU A 63 -7.061 -8.913 -4.754 1.00 3.26 H new ATOM 0 HD21 LEU A 63 -5.011 -6.961 -5.875 1.00 2.79 H new ATOM 0 HD22 LEU A 63 -6.759 -6.681 -6.056 1.00 2.79 H new ATOM 0 HD23 LEU A 63 -5.728 -5.427 -5.325 1.00 2.79 H new ATOM 978 N PHE A 64 -10.239 -5.152 -3.620 1.00 1.09 N ATOM 979 CA PHE A 64 -11.111 -4.146 -3.014 1.00 1.24 C ATOM 980 C PHE A 64 -12.515 -4.697 -2.700 1.00 1.45 C ATOM 981 O PHE A 64 -13.101 -4.300 -1.697 1.00 1.86 O ATOM 982 CB PHE A 64 -11.111 -2.852 -3.847 1.00 1.13 C ATOM 983 CG PHE A 64 -12.417 -2.516 -4.536 1.00 1.18 C ATOM 984 CD1 PHE A 64 -12.738 -3.101 -5.772 1.00 2.15 C ATOM 985 CD2 PHE A 64 -13.322 -1.624 -3.930 1.00 2.00 C ATOM 986 CE1 PHE A 64 -13.952 -2.786 -6.408 1.00 2.27 C ATOM 987 CE2 PHE A 64 -14.528 -1.296 -4.570 1.00 2.03 C ATOM 988 CZ PHE A 64 -14.846 -1.882 -5.808 1.00 1.42 C ATOM 0 H PHE A 64 -10.000 -4.969 -4.595 1.00 1.09 H new ATOM 0 HA PHE A 64 -10.702 -3.881 -2.039 1.00 1.24 H new ATOM 0 HB2 PHE A 64 -10.841 -2.021 -3.195 1.00 1.13 H new ATOM 0 HB3 PHE A 64 -10.331 -2.929 -4.604 1.00 1.13 H new ATOM 0 HD1 PHE A 64 -12.051 -3.794 -6.235 1.00 2.15 H new ATOM 0 HD2 PHE A 64 -13.088 -1.190 -2.969 1.00 2.00 H new ATOM 0 HE1 PHE A 64 -14.198 -3.239 -7.357 1.00 2.27 H new ATOM 0 HE2 PHE A 64 -15.210 -0.595 -4.112 1.00 2.03 H new ATOM 0 HZ PHE A 64 -15.777 -1.638 -6.298 1.00 1.42 H new ATOM 998 N GLU A 65 -13.041 -5.655 -3.484 1.00 1.25 N ATOM 999 CA GLU A 65 -14.280 -6.357 -3.111 1.00 1.39 C ATOM 1000 C GLU A 65 -14.063 -7.547 -2.164 1.00 1.45 C ATOM 1001 O GLU A 65 -14.950 -7.826 -1.356 1.00 1.62 O ATOM 1002 CB GLU A 65 -15.170 -6.696 -4.322 1.00 1.63 C ATOM 1003 CG GLU A 65 -14.815 -7.983 -5.079 1.00 1.27 C ATOM 1004 CD GLU A 65 -15.861 -8.345 -6.145 1.00 1.76 C ATOM 1005 OE1 GLU A 65 -17.088 -8.221 -5.895 1.00 2.32 O ATOM 1006 OE2 GLU A 65 -15.450 -8.819 -7.237 1.00 2.81 O ATOM 0 H GLU A 65 -12.633 -5.957 -4.369 1.00 1.25 H new ATOM 0 HA GLU A 65 -14.845 -5.635 -2.521 1.00 1.39 H new ATOM 0 HB2 GLU A 65 -16.202 -6.773 -3.979 1.00 1.63 H new ATOM 0 HB3 GLU A 65 -15.128 -5.862 -5.023 1.00 1.63 H new ATOM 0 HG2 GLU A 65 -13.842 -7.864 -5.555 1.00 1.27 H new ATOM 0 HG3 GLU A 65 -14.724 -8.805 -4.369 1.00 1.27 H new ATOM 1013 N GLN A 66 -12.912 -8.233 -2.217 1.00 1.40 N ATOM 1014 CA GLN A 66 -12.611 -9.373 -1.338 1.00 1.48 C ATOM 1015 C GLN A 66 -12.426 -8.932 0.123 1.00 1.57 C ATOM 1016 O GLN A 66 -12.948 -9.585 1.028 1.00 2.12 O ATOM 1017 CB GLN A 66 -11.382 -10.135 -1.876 1.00 1.53 C ATOM 1018 CG GLN A 66 -10.958 -11.377 -1.061 1.00 2.28 C ATOM 1019 CD GLN A 66 -11.977 -12.519 -1.016 1.00 3.01 C ATOM 1020 OE1 GLN A 66 -13.023 -12.521 -1.655 1.00 3.53 O ATOM 1021 NE2 GLN A 66 -11.712 -13.559 -0.260 1.00 4.25 N ATOM 0 H GLN A 66 -12.162 -8.013 -2.872 1.00 1.40 H new ATOM 0 HA GLN A 66 -13.463 -10.053 -1.343 1.00 1.48 H new ATOM 0 HB2 GLN A 66 -11.590 -10.448 -2.899 1.00 1.53 H new ATOM 0 HB3 GLN A 66 -10.539 -9.445 -1.918 1.00 1.53 H new ATOM 0 HG2 GLN A 66 -10.027 -11.761 -1.477 1.00 2.28 H new ATOM 0 HG3 GLN A 66 -10.745 -11.063 -0.039 1.00 2.28 H new ATOM 0 HE21 GLN A 66 -10.850 -13.588 0.284 1.00 4.25 H new ATOM 0 HE22 GLN A 66 -12.368 -14.339 -0.217 1.00 4.25 H new ATOM 1030 N TYR A 67 -11.765 -7.794 0.359 1.00 1.19 N ATOM 1031 CA TYR A 67 -11.626 -7.173 1.681 1.00 1.31 C ATOM 1032 C TYR A 67 -12.836 -6.269 2.013 1.00 1.47 C ATOM 1033 O TYR A 67 -12.712 -5.069 2.273 1.00 1.87 O ATOM 1034 CB TYR A 67 -10.238 -6.516 1.804 1.00 1.18 C ATOM 1035 CG TYR A 67 -9.085 -7.516 1.837 1.00 1.20 C ATOM 1036 CD1 TYR A 67 -8.838 -8.263 3.006 1.00 2.32 C ATOM 1037 CD2 TYR A 67 -8.266 -7.718 0.707 1.00 1.81 C ATOM 1038 CE1 TYR A 67 -7.798 -9.213 3.045 1.00 2.59 C ATOM 1039 CE2 TYR A 67 -7.225 -8.671 0.738 1.00 1.79 C ATOM 1040 CZ TYR A 67 -6.991 -9.430 1.908 1.00 1.63 C ATOM 1041 OH TYR A 67 -6.000 -10.368 1.936 1.00 1.97 O ATOM 0 H TYR A 67 -11.301 -7.267 -0.381 1.00 1.19 H new ATOM 0 HA TYR A 67 -11.657 -7.931 2.463 1.00 1.31 H new ATOM 0 HB2 TYR A 67 -10.093 -5.835 0.965 1.00 1.18 H new ATOM 0 HB3 TYR A 67 -10.210 -5.913 2.712 1.00 1.18 H new ATOM 0 HD1 TYR A 67 -9.452 -8.106 3.881 1.00 2.32 H new ATOM 0 HD2 TYR A 67 -8.436 -7.139 -0.189 1.00 1.81 H new ATOM 0 HE1 TYR A 67 -7.618 -9.777 3.948 1.00 2.59 H new ATOM 0 HE2 TYR A 67 -6.606 -8.821 -0.134 1.00 1.79 H new ATOM 0 HH TYR A 67 -5.543 -10.387 1.069 1.00 1.97 H new ATOM 1051 N ASN A 68 -14.036 -6.872 1.995 1.00 1.43 N ATOM 1052 CA ASN A 68 -15.320 -6.298 2.436 1.00 1.55 C ATOM 1053 C ASN A 68 -15.725 -4.975 1.738 1.00 1.42 C ATOM 1054 O ASN A 68 -16.196 -4.031 2.379 1.00 1.40 O ATOM 1055 CB ASN A 68 -15.336 -6.264 3.978 1.00 1.73 C ATOM 1056 CG ASN A 68 -16.709 -6.127 4.619 1.00 2.41 C ATOM 1057 OD1 ASN A 68 -17.743 -5.960 3.985 1.00 3.11 O ATOM 1058 ND2 ASN A 68 -16.753 -6.240 5.925 1.00 2.57 N ATOM 0 H ASN A 68 -14.143 -7.827 1.653 1.00 1.43 H new ATOM 0 HA ASN A 68 -16.125 -6.951 2.100 1.00 1.55 H new ATOM 0 HB2 ASN A 68 -14.872 -7.178 4.348 1.00 1.73 H new ATOM 0 HB3 ASN A 68 -14.715 -5.433 4.312 1.00 1.73 H new ATOM 0 HD21 ASN A 68 -17.648 -6.189 6.411 1.00 2.57 H new ATOM 0 HD22 ASN A 68 -15.892 -6.379 6.454 1.00 2.57 H new ATOM 1065 N ARG A 69 -15.543 -4.916 0.409 1.00 1.48 N ATOM 1066 CA ARG A 69 -15.919 -3.793 -0.484 1.00 1.48 C ATOM 1067 C ARG A 69 -15.338 -2.414 -0.128 1.00 1.28 C ATOM 1068 O ARG A 69 -15.853 -1.405 -0.609 1.00 1.85 O ATOM 1069 CB ARG A 69 -17.452 -3.809 -0.732 1.00 1.84 C ATOM 1070 CG ARG A 69 -17.804 -4.238 -2.168 1.00 2.01 C ATOM 1071 CD ARG A 69 -17.500 -3.166 -3.228 1.00 2.59 C ATOM 1072 NE ARG A 69 -18.657 -2.281 -3.465 1.00 3.59 N ATOM 1073 CZ ARG A 69 -18.741 -0.957 -3.231 1.00 4.95 C ATOM 1074 NH1 ARG A 69 -17.733 -0.252 -2.699 1.00 5.91 N ATOM 1075 NH2 ARG A 69 -19.877 -0.316 -3.544 1.00 5.99 N ATOM 0 H ARG A 69 -15.109 -5.684 -0.103 1.00 1.48 H new ATOM 0 HA ARG A 69 -15.417 -3.975 -1.434 1.00 1.48 H new ATOM 0 HB2 ARG A 69 -17.926 -4.490 -0.025 1.00 1.84 H new ATOM 0 HB3 ARG A 69 -17.860 -2.816 -0.541 1.00 1.84 H new ATOM 0 HG2 ARG A 69 -17.250 -5.145 -2.412 1.00 2.01 H new ATOM 0 HG3 ARG A 69 -18.864 -4.490 -2.213 1.00 2.01 H new ATOM 0 HD2 ARG A 69 -16.647 -2.569 -2.906 1.00 2.59 H new ATOM 0 HD3 ARG A 69 -17.216 -3.650 -4.162 1.00 2.59 H new ATOM 0 HE ARG A 69 -19.491 -2.724 -3.851 1.00 3.59 H new ATOM 0 HH11 ARG A 69 -16.859 -0.717 -2.454 1.00 5.91 H new ATOM 0 HH12 ARG A 69 -17.840 0.750 -2.539 1.00 5.91 H new ATOM 0 HH21 ARG A 69 -20.658 -0.831 -3.951 1.00 5.99 H new ATOM 0 HH22 ARG A 69 -19.960 0.686 -3.374 1.00 5.99 H new ATOM 1089 N LEU A 70 -14.276 -2.335 0.673 1.00 0.94 N ATOM 1090 CA LEU A 70 -13.685 -1.062 1.092 1.00 1.03 C ATOM 1091 C LEU A 70 -12.652 -0.556 0.070 1.00 1.25 C ATOM 1092 O LEU A 70 -11.531 -1.062 0.010 1.00 2.83 O ATOM 1093 CB LEU A 70 -13.103 -1.234 2.507 1.00 1.08 C ATOM 1094 CG LEU A 70 -12.469 0.040 3.098 1.00 1.60 C ATOM 1095 CD1 LEU A 70 -13.446 1.218 3.168 1.00 2.76 C ATOM 1096 CD2 LEU A 70 -11.981 -0.252 4.515 1.00 1.96 C ATOM 0 H LEU A 70 -13.799 -3.153 1.051 1.00 0.94 H new ATOM 0 HA LEU A 70 -14.452 -0.288 1.129 1.00 1.03 H new ATOM 0 HB2 LEU A 70 -13.896 -1.572 3.174 1.00 1.08 H new ATOM 0 HB3 LEU A 70 -12.350 -2.021 2.483 1.00 1.08 H new ATOM 0 HG LEU A 70 -11.650 0.320 2.435 1.00 1.60 H new ATOM 0 HD11 LEU A 70 -12.940 2.085 3.593 1.00 2.76 H new ATOM 0 HD12 LEU A 70 -13.798 1.459 2.165 1.00 2.76 H new ATOM 0 HD13 LEU A 70 -14.295 0.949 3.796 1.00 2.76 H new ATOM 0 HD21 LEU A 70 -11.531 0.647 4.937 1.00 1.96 H new ATOM 0 HD22 LEU A 70 -12.824 -0.561 5.133 1.00 1.96 H new ATOM 0 HD23 LEU A 70 -11.239 -1.050 4.487 1.00 1.96 H new ATOM 1108 N ALA A 71 -12.993 0.483 -0.702 1.00 1.36 N ATOM 1109 CA ALA A 71 -12.006 1.174 -1.532 1.00 1.17 C ATOM 1110 C ALA A 71 -11.100 2.046 -0.642 1.00 1.13 C ATOM 1111 O ALA A 71 -11.541 3.053 -0.075 1.00 2.03 O ATOM 1112 CB ALA A 71 -12.704 1.976 -2.636 1.00 1.38 C ATOM 0 H ALA A 71 -13.939 0.860 -0.767 1.00 1.36 H new ATOM 0 HA ALA A 71 -11.367 0.447 -2.033 1.00 1.17 H new ATOM 0 HB1 ALA A 71 -11.956 2.484 -3.245 1.00 1.38 H new ATOM 0 HB2 ALA A 71 -13.285 1.301 -3.264 1.00 1.38 H new ATOM 0 HB3 ALA A 71 -13.368 2.714 -2.185 1.00 1.38 H new ATOM 1118 N MET A 72 -9.832 1.646 -0.506 1.00 0.65 N ATOM 1119 CA MET A 72 -8.830 2.361 0.288 1.00 0.78 C ATOM 1120 C MET A 72 -8.655 3.809 -0.218 1.00 0.70 C ATOM 1121 O MET A 72 -8.416 3.997 -1.412 1.00 0.65 O ATOM 1122 CB MET A 72 -7.503 1.580 0.235 1.00 1.06 C ATOM 1123 CG MET A 72 -6.353 2.326 0.924 1.00 0.85 C ATOM 1124 SD MET A 72 -4.822 1.368 1.131 1.00 0.70 S ATOM 1125 CE MET A 72 -4.313 1.144 -0.592 1.00 1.27 C ATOM 0 H MET A 72 -9.468 0.804 -0.951 1.00 0.65 H new ATOM 0 HA MET A 72 -9.163 2.426 1.324 1.00 0.78 H new ATOM 0 HB2 MET A 72 -7.638 0.609 0.711 1.00 1.06 H new ATOM 0 HB3 MET A 72 -7.238 1.392 -0.805 1.00 1.06 H new ATOM 0 HG2 MET A 72 -6.126 3.223 0.348 1.00 0.85 H new ATOM 0 HG3 MET A 72 -6.692 2.656 1.906 1.00 0.85 H new ATOM 0 HE1 MET A 72 -3.376 0.587 -0.625 1.00 1.27 H new ATOM 0 HE2 MET A 72 -5.083 0.591 -1.130 1.00 1.27 H new ATOM 0 HE3 MET A 72 -4.173 2.119 -1.060 1.00 1.27 H new ATOM 1135 N PRO A 73 -8.723 4.831 0.656 1.00 0.97 N ATOM 1136 CA PRO A 73 -8.507 6.214 0.251 1.00 1.13 C ATOM 1137 C PRO A 73 -7.024 6.512 -0.022 1.00 1.15 C ATOM 1138 O PRO A 73 -6.130 5.958 0.623 1.00 1.20 O ATOM 1139 CB PRO A 73 -9.068 7.067 1.393 1.00 1.41 C ATOM 1140 CG PRO A 73 -8.856 6.179 2.620 1.00 1.51 C ATOM 1141 CD PRO A 73 -9.074 4.770 2.069 1.00 1.25 C ATOM 0 HA PRO A 73 -9.009 6.435 -0.691 1.00 1.13 H new ATOM 0 HB2 PRO A 73 -8.540 8.016 1.485 1.00 1.41 H new ATOM 0 HB3 PRO A 73 -10.122 7.302 1.242 1.00 1.41 H new ATOM 0 HG2 PRO A 73 -7.856 6.299 3.037 1.00 1.51 H new ATOM 0 HG3 PRO A 73 -9.563 6.415 3.415 1.00 1.51 H new ATOM 0 HD2 PRO A 73 -8.452 4.045 2.594 1.00 1.25 H new ATOM 0 HD3 PRO A 73 -10.109 4.456 2.200 1.00 1.25 H new ATOM 1149 N ASN A 74 -6.755 7.447 -0.935 1.00 1.19 N ATOM 1150 CA ASN A 74 -5.418 8.014 -1.109 1.00 1.28 C ATOM 1151 C ASN A 74 -5.104 8.968 0.055 1.00 1.38 C ATOM 1152 O ASN A 74 -5.665 10.062 0.132 1.00 1.88 O ATOM 1153 CB ASN A 74 -5.329 8.721 -2.476 1.00 1.33 C ATOM 1154 CG ASN A 74 -3.981 9.376 -2.745 1.00 1.51 C ATOM 1155 OD1 ASN A 74 -3.009 9.210 -2.017 1.00 2.13 O ATOM 1156 ND2 ASN A 74 -3.879 10.160 -3.790 1.00 1.76 N ATOM 0 H ASN A 74 -7.454 7.830 -1.571 1.00 1.19 H new ATOM 0 HA ASN A 74 -4.670 7.221 -1.097 1.00 1.28 H new ATOM 0 HB2 ASN A 74 -5.533 7.995 -3.263 1.00 1.33 H new ATOM 0 HB3 ASN A 74 -6.109 9.480 -2.533 1.00 1.33 H new ATOM 0 HD21 ASN A 74 -2.995 10.627 -3.993 1.00 1.76 H new ATOM 0 HD22 ASN A 74 -4.683 10.303 -4.401 1.00 1.76 H new ATOM 1163 N MET A 75 -4.154 8.601 0.920 1.00 1.68 N ATOM 1164 CA MET A 75 -3.654 9.446 2.020 1.00 1.79 C ATOM 1165 C MET A 75 -2.689 10.543 1.507 1.00 1.83 C ATOM 1166 O MET A 75 -1.610 10.749 2.071 1.00 2.90 O ATOM 1167 CB MET A 75 -3.035 8.572 3.131 1.00 1.94 C ATOM 1168 CG MET A 75 -3.961 7.461 3.659 1.00 2.06 C ATOM 1169 SD MET A 75 -5.555 7.991 4.349 1.00 2.37 S ATOM 1170 CE MET A 75 -5.003 8.827 5.863 1.00 3.10 C ATOM 0 H MET A 75 -3.698 7.689 0.878 1.00 1.68 H new ATOM 0 HA MET A 75 -4.498 9.977 2.460 1.00 1.79 H new ATOM 0 HB2 MET A 75 -2.121 8.116 2.750 1.00 1.94 H new ATOM 0 HB3 MET A 75 -2.748 9.214 3.963 1.00 1.94 H new ATOM 0 HG2 MET A 75 -4.157 6.765 2.844 1.00 2.06 H new ATOM 0 HG3 MET A 75 -3.424 6.907 4.429 1.00 2.06 H new ATOM 0 HE1 MET A 75 -5.870 9.195 6.412 1.00 3.10 H new ATOM 0 HE2 MET A 75 -4.451 8.124 6.486 1.00 3.10 H new ATOM 0 HE3 MET A 75 -4.357 9.665 5.601 1.00 3.10 H new ATOM 1180 N ARG A 76 -3.039 11.191 0.388 1.00 1.44 N ATOM 1181 CA ARG A 76 -2.258 12.180 -0.382 1.00 1.50 C ATOM 1182 C ARG A 76 -0.780 11.816 -0.583 1.00 1.35 C ATOM 1183 O ARG A 76 0.107 12.586 -0.215 1.00 1.55 O ATOM 1184 CB ARG A 76 -2.523 13.612 0.142 1.00 1.87 C ATOM 1185 CG ARG A 76 -2.160 13.875 1.615 1.00 3.43 C ATOM 1186 CD ARG A 76 -2.442 15.336 1.985 1.00 4.20 C ATOM 1187 NE ARG A 76 -2.069 15.618 3.380 1.00 5.69 N ATOM 1188 CZ ARG A 76 -0.894 16.119 3.804 1.00 7.13 C ATOM 1189 NH1 ARG A 76 0.096 16.430 2.951 1.00 7.57 N ATOM 1190 NH2 ARG A 76 -0.705 16.312 5.116 1.00 8.68 N ATOM 0 H ARG A 76 -3.950 11.027 -0.041 1.00 1.44 H new ATOM 0 HA ARG A 76 -2.627 12.154 -1.407 1.00 1.50 H new ATOM 0 HB2 ARG A 76 -1.965 14.313 -0.479 1.00 1.87 H new ATOM 0 HB3 ARG A 76 -3.581 13.837 0.004 1.00 1.87 H new ATOM 0 HG2 ARG A 76 -2.736 13.212 2.261 1.00 3.43 H new ATOM 0 HG3 ARG A 76 -1.107 13.648 1.782 1.00 3.43 H new ATOM 0 HD2 ARG A 76 -1.887 15.996 1.318 1.00 4.20 H new ATOM 0 HD3 ARG A 76 -3.500 15.552 1.839 1.00 4.20 H new ATOM 0 HE ARG A 76 -2.768 15.414 4.094 1.00 5.69 H new ATOM 0 HH11 ARG A 76 -0.031 16.288 1.949 1.00 7.57 H new ATOM 0 HH12 ARG A 76 0.975 16.808 3.305 1.00 7.57 H new ATOM 0 HH21 ARG A 76 -1.446 16.080 5.778 1.00 8.68 H new ATOM 0 HH22 ARG A 76 0.180 16.691 5.453 1.00 8.68 H new ATOM 1204 N LEU A 77 -0.481 10.619 -1.097 1.00 1.40 N ATOM 1205 CA LEU A 77 0.904 10.135 -1.214 1.00 1.54 C ATOM 1206 C LEU A 77 1.711 10.892 -2.286 1.00 1.48 C ATOM 1207 O LEU A 77 1.405 10.804 -3.481 1.00 1.61 O ATOM 1208 CB LEU A 77 0.941 8.615 -1.479 1.00 1.86 C ATOM 1209 CG LEU A 77 0.662 7.673 -0.292 1.00 1.73 C ATOM 1210 CD1 LEU A 77 1.456 8.051 0.965 1.00 1.58 C ATOM 1211 CD2 LEU A 77 -0.817 7.576 0.072 1.00 2.84 C ATOM 0 H LEU A 77 -1.181 9.962 -1.441 1.00 1.40 H new ATOM 0 HA LEU A 77 1.382 10.335 -0.255 1.00 1.54 H new ATOM 0 HB2 LEU A 77 0.214 8.393 -2.261 1.00 1.86 H new ATOM 0 HB3 LEU A 77 1.925 8.368 -1.879 1.00 1.86 H new ATOM 0 HG LEU A 77 0.994 6.697 -0.645 1.00 1.73 H new ATOM 0 HD11 LEU A 77 1.219 7.353 1.768 1.00 1.58 H new ATOM 0 HD12 LEU A 77 2.523 8.006 0.748 1.00 1.58 H new ATOM 0 HD13 LEU A 77 1.190 9.062 1.273 1.00 1.58 H new ATOM 0 HD21 LEU A 77 -0.940 6.896 0.915 1.00 2.84 H new ATOM 0 HD22 LEU A 77 -1.190 8.563 0.344 1.00 2.84 H new ATOM 0 HD23 LEU A 77 -1.378 7.199 -0.783 1.00 2.84 H new ATOM 1223 N GLY A 78 2.769 11.580 -1.848 1.00 1.43 N ATOM 1224 CA GLY A 78 3.781 12.208 -2.705 1.00 1.48 C ATOM 1225 C GLY A 78 4.897 11.254 -3.148 1.00 1.17 C ATOM 1226 O GLY A 78 5.095 10.194 -2.552 1.00 1.07 O ATOM 0 H GLY A 78 2.952 11.720 -0.854 1.00 1.43 H new ATOM 0 HA2 GLY A 78 3.292 12.615 -3.590 1.00 1.48 H new ATOM 0 HA3 GLY A 78 4.225 13.048 -2.171 1.00 1.48 H new ATOM 1230 N ASP A 79 5.663 11.638 -4.170 1.00 1.16 N ATOM 1231 CA ASP A 79 6.706 10.799 -4.787 1.00 1.04 C ATOM 1232 C ASP A 79 7.796 10.327 -3.799 1.00 0.90 C ATOM 1233 O ASP A 79 8.171 9.149 -3.805 1.00 1.13 O ATOM 1234 CB ASP A 79 7.338 11.584 -5.948 1.00 1.23 C ATOM 1235 CG ASP A 79 8.320 10.727 -6.746 1.00 2.21 C ATOM 1236 OD1 ASP A 79 7.855 9.841 -7.500 1.00 2.89 O ATOM 1237 OD2 ASP A 79 9.552 10.928 -6.632 1.00 3.52 O ATOM 0 H ASP A 79 5.579 12.557 -4.604 1.00 1.16 H new ATOM 0 HA ASP A 79 6.225 9.888 -5.143 1.00 1.04 H new ATOM 0 HB2 ASP A 79 6.553 11.948 -6.610 1.00 1.23 H new ATOM 0 HB3 ASP A 79 7.856 12.459 -5.555 1.00 1.23 H new ATOM 1242 N ALA A 80 8.259 11.220 -2.916 1.00 0.96 N ATOM 1243 CA ALA A 80 9.248 10.911 -1.881 1.00 0.95 C ATOM 1244 C ALA A 80 8.628 10.236 -0.641 1.00 0.87 C ATOM 1245 O ALA A 80 9.329 9.583 0.133 1.00 0.93 O ATOM 1246 CB ALA A 80 9.978 12.208 -1.512 1.00 1.19 C ATOM 0 H ALA A 80 7.951 12.192 -2.902 1.00 0.96 H new ATOM 0 HA ALA A 80 9.955 10.183 -2.279 1.00 0.95 H new ATOM 0 HB1 ALA A 80 10.721 12.001 -0.741 1.00 1.19 H new ATOM 0 HB2 ALA A 80 10.474 12.610 -2.395 1.00 1.19 H new ATOM 0 HB3 ALA A 80 9.259 12.936 -1.137 1.00 1.19 H new ATOM 1252 N GLU A 81 7.313 10.359 -0.439 1.00 0.92 N ATOM 1253 CA GLU A 81 6.588 9.619 0.601 1.00 0.98 C ATOM 1254 C GLU A 81 6.379 8.160 0.193 1.00 0.85 C ATOM 1255 O GLU A 81 6.531 7.266 1.026 1.00 0.88 O ATOM 1256 CB GLU A 81 5.255 10.302 0.937 1.00 1.25 C ATOM 1257 CG GLU A 81 5.518 11.693 1.524 1.00 1.16 C ATOM 1258 CD GLU A 81 4.246 12.365 2.023 1.00 1.30 C ATOM 1259 OE1 GLU A 81 3.254 12.450 1.267 1.00 2.18 O ATOM 1260 OE2 GLU A 81 4.216 12.831 3.192 1.00 1.89 O ATOM 0 H GLU A 81 6.719 10.976 -0.993 1.00 0.92 H new ATOM 0 HA GLU A 81 7.198 9.625 1.504 1.00 0.98 H new ATOM 0 HB2 GLU A 81 4.642 10.386 0.039 1.00 1.25 H new ATOM 0 HB3 GLU A 81 4.695 9.696 1.650 1.00 1.25 H new ATOM 0 HG2 GLU A 81 6.227 11.608 2.347 1.00 1.16 H new ATOM 0 HG3 GLU A 81 5.984 12.322 0.765 1.00 1.16 H new ATOM 1267 N VAL A 82 6.138 7.903 -1.098 1.00 0.81 N ATOM 1268 CA VAL A 82 6.174 6.549 -1.666 1.00 0.88 C ATOM 1269 C VAL A 82 7.569 5.948 -1.498 1.00 0.73 C ATOM 1270 O VAL A 82 7.672 4.873 -0.922 1.00 0.73 O ATOM 1271 CB VAL A 82 5.694 6.527 -3.132 1.00 1.11 C ATOM 1272 CG1 VAL A 82 5.859 5.149 -3.779 1.00 1.38 C ATOM 1273 CG2 VAL A 82 4.200 6.874 -3.198 1.00 1.36 C ATOM 0 H VAL A 82 5.912 8.628 -1.779 1.00 0.81 H new ATOM 0 HA VAL A 82 5.472 5.924 -1.114 1.00 0.88 H new ATOM 0 HB VAL A 82 6.305 7.254 -3.666 1.00 1.11 H new ATOM 0 HG11 VAL A 82 5.507 5.187 -4.810 1.00 1.38 H new ATOM 0 HG12 VAL A 82 6.911 4.864 -3.765 1.00 1.38 H new ATOM 0 HG13 VAL A 82 5.277 4.414 -3.223 1.00 1.38 H new ATOM 0 HG21 VAL A 82 3.868 6.857 -4.236 1.00 1.36 H new ATOM 0 HG22 VAL A 82 3.631 6.144 -2.623 1.00 1.36 H new ATOM 0 HG23 VAL A 82 4.039 7.869 -2.782 1.00 1.36 H new ATOM 1283 N SER A 83 8.653 6.636 -1.887 1.00 0.71 N ATOM 1284 CA SER A 83 10.020 6.099 -1.711 1.00 0.79 C ATOM 1285 C SER A 83 10.358 5.762 -0.244 1.00 0.69 C ATOM 1286 O SER A 83 10.951 4.714 0.035 1.00 0.78 O ATOM 1287 CB SER A 83 11.049 7.082 -2.276 1.00 1.00 C ATOM 1288 OG SER A 83 12.339 6.501 -2.219 1.00 2.42 O ATOM 0 H SER A 83 8.616 7.558 -2.322 1.00 0.71 H new ATOM 0 HA SER A 83 10.059 5.160 -2.264 1.00 0.79 H new ATOM 0 HB2 SER A 83 10.798 7.335 -3.306 1.00 1.00 H new ATOM 0 HB3 SER A 83 11.031 8.011 -1.706 1.00 1.00 H new ATOM 0 HG SER A 83 12.997 7.130 -2.582 1.00 2.42 H new ATOM 1294 N ALA A 84 9.911 6.596 0.702 1.00 0.66 N ATOM 1295 CA ALA A 84 10.048 6.361 2.137 1.00 0.78 C ATOM 1296 C ALA A 84 9.250 5.127 2.616 1.00 0.63 C ATOM 1297 O ALA A 84 9.799 4.247 3.288 1.00 0.63 O ATOM 1298 CB ALA A 84 9.632 7.643 2.864 1.00 1.02 C ATOM 0 H ALA A 84 9.434 7.471 0.483 1.00 0.66 H new ATOM 0 HA ALA A 84 11.087 6.126 2.370 1.00 0.78 H new ATOM 0 HB1 ALA A 84 9.724 7.497 3.940 1.00 1.02 H new ATOM 0 HB2 ALA A 84 10.278 8.464 2.552 1.00 1.02 H new ATOM 0 HB3 ALA A 84 8.597 7.882 2.618 1.00 1.02 H new ATOM 1304 N LEU A 85 7.978 5.009 2.225 1.00 0.58 N ATOM 1305 CA LEU A 85 7.121 3.859 2.547 1.00 0.56 C ATOM 1306 C LEU A 85 7.579 2.558 1.868 1.00 0.51 C ATOM 1307 O LEU A 85 7.406 1.477 2.426 1.00 0.58 O ATOM 1308 CB LEU A 85 5.676 4.204 2.148 1.00 0.70 C ATOM 1309 CG LEU A 85 5.002 5.215 3.095 1.00 0.95 C ATOM 1310 CD1 LEU A 85 3.738 5.751 2.429 1.00 2.48 C ATOM 1311 CD2 LEU A 85 4.608 4.572 4.431 1.00 1.38 C ATOM 0 H LEU A 85 7.505 5.720 1.667 1.00 0.58 H new ATOM 0 HA LEU A 85 7.189 3.672 3.619 1.00 0.56 H new ATOM 0 HB2 LEU A 85 5.674 4.609 1.136 1.00 0.70 H new ATOM 0 HB3 LEU A 85 5.085 3.288 2.126 1.00 0.70 H new ATOM 0 HG LEU A 85 5.716 6.014 3.294 1.00 0.95 H new ATOM 0 HD11 LEU A 85 3.253 6.468 3.092 1.00 2.48 H new ATOM 0 HD12 LEU A 85 4.001 6.243 1.492 1.00 2.48 H new ATOM 0 HD13 LEU A 85 3.056 4.926 2.226 1.00 2.48 H new ATOM 0 HD21 LEU A 85 4.136 5.319 5.069 1.00 1.38 H new ATOM 0 HD22 LEU A 85 3.909 3.756 4.250 1.00 1.38 H new ATOM 0 HD23 LEU A 85 5.499 4.184 4.925 1.00 1.38 H new ATOM 1323 N ILE A 86 8.213 2.650 0.700 1.00 0.52 N ATOM 1324 CA ILE A 86 8.797 1.514 -0.023 1.00 0.64 C ATOM 1325 C ILE A 86 10.027 0.997 0.716 1.00 0.69 C ATOM 1326 O ILE A 86 10.165 -0.218 0.839 1.00 0.79 O ATOM 1327 CB ILE A 86 9.036 1.876 -1.511 1.00 0.76 C ATOM 1328 CG1 ILE A 86 7.848 1.430 -2.395 1.00 1.00 C ATOM 1329 CG2 ILE A 86 10.315 1.264 -2.112 1.00 1.17 C ATOM 1330 CD1 ILE A 86 6.452 1.855 -1.915 1.00 0.84 C ATOM 0 H ILE A 86 8.340 3.538 0.215 1.00 0.52 H new ATOM 0 HA ILE A 86 8.095 0.680 -0.044 1.00 0.64 H new ATOM 0 HB ILE A 86 9.144 2.961 -1.509 1.00 0.76 H new ATOM 0 HG12 ILE A 86 8.000 1.825 -3.399 1.00 1.00 H new ATOM 0 HG13 ILE A 86 7.868 0.343 -2.473 1.00 1.00 H new ATOM 0 HG21 ILE A 86 10.407 1.566 -3.155 1.00 1.17 H new ATOM 0 HG22 ILE A 86 11.183 1.615 -1.554 1.00 1.17 H new ATOM 0 HG23 ILE A 86 10.261 0.177 -2.052 1.00 1.17 H new ATOM 0 HD11 ILE A 86 5.700 1.487 -2.612 1.00 0.84 H new ATOM 0 HD12 ILE A 86 6.265 1.438 -0.926 1.00 0.84 H new ATOM 0 HD13 ILE A 86 6.400 2.943 -1.866 1.00 0.84 H new ATOM 1342 N SER A 87 10.845 1.874 1.312 1.00 0.72 N ATOM 1343 CA SER A 87 11.861 1.410 2.265 1.00 0.91 C ATOM 1344 C SER A 87 11.242 0.752 3.502 1.00 0.90 C ATOM 1345 O SER A 87 11.712 -0.309 3.915 1.00 1.11 O ATOM 1346 CB SER A 87 12.877 2.489 2.666 1.00 1.19 C ATOM 1347 OG SER A 87 12.370 3.812 2.735 1.00 2.68 O ATOM 0 H SER A 87 10.826 2.882 1.157 1.00 0.72 H new ATOM 0 HA SER A 87 12.422 0.649 1.723 1.00 0.91 H new ATOM 0 HB2 SER A 87 13.293 2.227 3.639 1.00 1.19 H new ATOM 0 HB3 SER A 87 13.700 2.471 1.952 1.00 1.19 H new ATOM 0 HG SER A 87 11.531 3.815 3.242 1.00 2.68 H new ATOM 1353 N TYR A 88 10.162 1.319 4.053 1.00 0.80 N ATOM 1354 CA TYR A 88 9.499 0.752 5.238 1.00 0.95 C ATOM 1355 C TYR A 88 8.871 -0.630 5.006 1.00 1.00 C ATOM 1356 O TYR A 88 8.766 -1.419 5.939 1.00 1.53 O ATOM 1357 CB TYR A 88 8.456 1.746 5.748 1.00 0.97 C ATOM 1358 CG TYR A 88 7.935 1.489 7.148 1.00 1.04 C ATOM 1359 CD1 TYR A 88 8.774 1.697 8.260 1.00 2.15 C ATOM 1360 CD2 TYR A 88 6.604 1.075 7.342 1.00 2.21 C ATOM 1361 CE1 TYR A 88 8.290 1.483 9.566 1.00 2.47 C ATOM 1362 CE2 TYR A 88 6.116 0.868 8.645 1.00 2.18 C ATOM 1363 CZ TYR A 88 6.955 1.072 9.760 1.00 1.57 C ATOM 1364 OH TYR A 88 6.475 0.878 11.017 1.00 1.95 O ATOM 0 H TYR A 88 9.727 2.171 3.698 1.00 0.80 H new ATOM 0 HA TYR A 88 10.272 0.588 5.989 1.00 0.95 H new ATOM 0 HB2 TYR A 88 8.889 2.746 5.719 1.00 0.97 H new ATOM 0 HB3 TYR A 88 7.611 1.744 5.059 1.00 0.97 H new ATOM 0 HD1 TYR A 88 9.793 2.022 8.111 1.00 2.15 H new ATOM 0 HD2 TYR A 88 5.958 0.916 6.491 1.00 2.21 H new ATOM 0 HE1 TYR A 88 8.939 1.633 10.416 1.00 2.47 H new ATOM 0 HE2 TYR A 88 5.094 0.551 8.792 1.00 2.18 H new ATOM 0 HH TYR A 88 5.555 1.213 11.071 1.00 1.95 H new ATOM 1374 N LEU A 89 8.484 -0.955 3.768 1.00 0.63 N ATOM 1375 CA LEU A 89 8.082 -2.309 3.392 1.00 0.66 C ATOM 1376 C LEU A 89 9.279 -3.188 2.999 1.00 0.71 C ATOM 1377 O LEU A 89 9.487 -4.235 3.610 1.00 1.07 O ATOM 1378 CB LEU A 89 6.998 -2.256 2.296 1.00 0.71 C ATOM 1379 CG LEU A 89 5.558 -2.200 2.844 1.00 0.98 C ATOM 1380 CD1 LEU A 89 5.239 -0.947 3.662 1.00 1.49 C ATOM 1381 CD2 LEU A 89 4.564 -2.266 1.682 1.00 1.65 C ATOM 0 H LEU A 89 8.442 -0.285 3.000 1.00 0.63 H new ATOM 0 HA LEU A 89 7.648 -2.789 4.269 1.00 0.66 H new ATOM 0 HB2 LEU A 89 7.172 -1.382 1.669 1.00 0.71 H new ATOM 0 HB3 LEU A 89 7.099 -3.133 1.656 1.00 0.71 H new ATOM 0 HG LEU A 89 5.470 -3.055 3.514 1.00 0.98 H new ATOM 0 HD11 LEU A 89 4.206 -0.991 4.008 1.00 1.49 H new ATOM 0 HD12 LEU A 89 5.907 -0.894 4.521 1.00 1.49 H new ATOM 0 HD13 LEU A 89 5.376 -0.062 3.040 1.00 1.49 H new ATOM 0 HD21 LEU A 89 3.547 -2.226 2.071 1.00 1.65 H new ATOM 0 HD22 LEU A 89 4.730 -1.422 1.013 1.00 1.65 H new ATOM 0 HD23 LEU A 89 4.707 -3.197 1.134 1.00 1.65 H new ATOM 1393 N GLU A 90 10.049 -2.815 1.976 1.00 0.69 N ATOM 1394 CA GLU A 90 11.062 -3.693 1.376 1.00 0.90 C ATOM 1395 C GLU A 90 12.302 -3.910 2.257 1.00 1.09 C ATOM 1396 O GLU A 90 12.675 -5.066 2.467 1.00 1.12 O ATOM 1397 CB GLU A 90 11.457 -3.173 -0.022 1.00 1.30 C ATOM 1398 CG GLU A 90 12.233 -4.226 -0.828 1.00 1.42 C ATOM 1399 CD GLU A 90 12.831 -3.656 -2.117 1.00 1.95 C ATOM 1400 OE1 GLU A 90 13.990 -3.189 -2.095 1.00 2.32 O ATOM 1401 OE2 GLU A 90 12.193 -3.719 -3.194 1.00 3.17 O ATOM 0 H GLU A 90 9.990 -1.896 1.538 1.00 0.69 H new ATOM 0 HA GLU A 90 10.600 -4.676 1.282 1.00 0.90 H new ATOM 0 HB2 GLU A 90 10.559 -2.886 -0.569 1.00 1.30 H new ATOM 0 HB3 GLU A 90 12.066 -2.275 0.084 1.00 1.30 H new ATOM 0 HG2 GLU A 90 13.033 -4.635 -0.210 1.00 1.42 H new ATOM 0 HG3 GLU A 90 11.567 -5.053 -1.075 1.00 1.42 H new ATOM 1408 N GLU A 91 12.952 -2.855 2.779 1.00 1.39 N ATOM 1409 CA GLU A 91 14.227 -3.038 3.499 1.00 1.89 C ATOM 1410 C GLU A 91 14.045 -3.275 5.002 1.00 2.02 C ATOM 1411 O GLU A 91 14.905 -3.897 5.627 1.00 2.28 O ATOM 1412 CB GLU A 91 15.278 -1.959 3.160 1.00 2.71 C ATOM 1413 CG GLU A 91 14.841 -0.503 3.343 1.00 2.07 C ATOM 1414 CD GLU A 91 15.953 0.500 2.991 1.00 3.15 C ATOM 1415 OE1 GLU A 91 16.867 0.714 3.824 1.00 2.96 O ATOM 1416 OE2 GLU A 91 15.900 1.145 1.914 1.00 4.89 O ATOM 0 H GLU A 91 12.627 -1.890 2.720 1.00 1.39 H new ATOM 0 HA GLU A 91 14.648 -3.969 3.118 1.00 1.89 H new ATOM 0 HB2 GLU A 91 16.158 -2.132 3.780 1.00 2.71 H new ATOM 0 HB3 GLU A 91 15.586 -2.096 2.123 1.00 2.71 H new ATOM 0 HG2 GLU A 91 13.970 -0.308 2.717 1.00 2.07 H new ATOM 0 HG3 GLU A 91 14.532 -0.348 4.377 1.00 2.07 H new ATOM 1423 N GLU A 92 12.927 -2.858 5.598 1.00 2.02 N ATOM 1424 CA GLU A 92 12.637 -3.152 7.012 1.00 2.48 C ATOM 1425 C GLU A 92 12.045 -4.558 7.230 1.00 2.22 C ATOM 1426 O GLU A 92 12.233 -5.128 8.302 1.00 2.56 O ATOM 1427 CB GLU A 92 11.774 -2.052 7.641 1.00 3.06 C ATOM 1428 CG GLU A 92 12.350 -0.638 7.466 1.00 5.12 C ATOM 1429 CD GLU A 92 13.758 -0.487 8.060 1.00 5.96 C ATOM 1430 OE1 GLU A 92 13.889 -0.238 9.278 1.00 5.97 O ATOM 1431 OE2 GLU A 92 14.778 -0.592 7.340 1.00 7.08 O ATOM 0 H GLU A 92 12.203 -2.315 5.127 1.00 2.02 H new ATOM 0 HA GLU A 92 13.594 -3.158 7.533 1.00 2.48 H new ATOM 0 HB2 GLU A 92 10.778 -2.086 7.199 1.00 3.06 H new ATOM 0 HB3 GLU A 92 11.657 -2.258 8.705 1.00 3.06 H new ATOM 0 HG2 GLU A 92 12.381 -0.393 6.404 1.00 5.12 H new ATOM 0 HG3 GLU A 92 11.682 0.082 7.940 1.00 5.12 H new ATOM 1438 N THR A 93 11.452 -5.184 6.202 1.00 1.78 N ATOM 1439 CA THR A 93 11.094 -6.624 6.206 1.00 1.85 C ATOM 1440 C THR A 93 12.309 -7.519 6.513 1.00 1.80 C ATOM 1441 O THR A 93 12.178 -8.548 7.184 1.00 2.12 O ATOM 1442 CB THR A 93 10.461 -7.003 4.852 1.00 1.71 C ATOM 1443 OG1 THR A 93 9.126 -6.549 4.798 1.00 2.20 O ATOM 1444 CG2 THR A 93 10.380 -8.495 4.549 1.00 1.84 C ATOM 0 H THR A 93 11.203 -4.708 5.335 1.00 1.78 H new ATOM 0 HA THR A 93 10.369 -6.792 7.003 1.00 1.85 H new ATOM 0 HB THR A 93 11.128 -6.537 4.126 1.00 1.71 H new ATOM 0 HG1 THR A 93 9.044 -5.854 4.112 1.00 2.20 H new ATOM 0 HG21 THR A 93 9.918 -8.643 3.573 1.00 1.84 H new ATOM 0 HG22 THR A 93 11.384 -8.920 4.544 1.00 1.84 H new ATOM 0 HG23 THR A 93 9.780 -8.989 5.313 1.00 1.84 H new ATOM 1452 N ALA A 94 13.505 -7.105 6.081 1.00 1.51 N ATOM 1453 CA ALA A 94 14.783 -7.761 6.369 1.00 1.58 C ATOM 1454 C ALA A 94 15.355 -7.454 7.775 1.00 1.94 C ATOM 1455 O ALA A 94 16.434 -7.956 8.113 1.00 2.40 O ATOM 1456 CB ALA A 94 15.767 -7.364 5.260 1.00 1.35 C ATOM 0 H ALA A 94 13.612 -6.273 5.500 1.00 1.51 H new ATOM 0 HA ALA A 94 14.618 -8.838 6.382 1.00 1.58 H new ATOM 0 HB1 ALA A 94 16.732 -7.836 5.444 1.00 1.35 H new ATOM 0 HB2 ALA A 94 15.380 -7.692 4.295 1.00 1.35 H new ATOM 0 HB3 ALA A 94 15.889 -6.281 5.252 1.00 1.35 H new ATOM 1462 N ARG A 95 14.696 -6.586 8.562 1.00 1.93 N ATOM 1463 CA ARG A 95 15.227 -5.945 9.783 1.00 2.63 C ATOM 1464 C ARG A 95 14.209 -5.862 10.942 1.00 3.61 C ATOM 1465 O ARG A 95 14.300 -4.986 11.801 1.00 4.89 O ATOM 1466 CB ARG A 95 15.808 -4.565 9.401 1.00 3.07 C ATOM 1467 CG ARG A 95 16.856 -4.056 10.413 1.00 3.29 C ATOM 1468 CD ARG A 95 16.524 -2.663 10.966 1.00 3.65 C ATOM 1469 NE ARG A 95 16.628 -1.611 9.944 1.00 4.27 N ATOM 1470 CZ ARG A 95 17.655 -0.755 9.781 1.00 5.11 C ATOM 1471 NH1 ARG A 95 18.760 -0.809 10.541 1.00 5.57 N ATOM 1472 NH2 ARG A 95 17.568 0.183 8.829 1.00 6.27 N ATOM 0 H ARG A 95 13.739 -6.298 8.358 1.00 1.93 H new ATOM 0 HA ARG A 95 16.020 -6.578 10.182 1.00 2.63 H new ATOM 0 HB2 ARG A 95 16.265 -4.629 8.413 1.00 3.07 H new ATOM 0 HB3 ARG A 95 14.996 -3.841 9.331 1.00 3.07 H new ATOM 0 HG2 ARG A 95 16.928 -4.762 11.240 1.00 3.29 H new ATOM 0 HG3 ARG A 95 17.834 -4.027 9.932 1.00 3.29 H new ATOM 0 HD2 ARG A 95 15.513 -2.669 11.374 1.00 3.65 H new ATOM 0 HD3 ARG A 95 17.199 -2.432 11.790 1.00 3.65 H new ATOM 0 HE ARG A 95 15.846 -1.521 9.295 1.00 4.27 H new ATOM 0 HH11 ARG A 95 18.842 -1.516 11.272 1.00 5.57 H new ATOM 0 HH12 ARG A 95 19.517 -0.143 10.388 1.00 5.57 H new ATOM 0 HH21 ARG A 95 16.735 0.240 8.243 1.00 6.27 H new ATOM 0 HH22 ARG A 95 18.335 0.841 8.690 1.00 6.27 H new ATOM 1486 N LEU A 96 13.202 -6.739 10.968 1.00 3.34 N ATOM 1487 CA LEU A 96 12.005 -6.598 11.822 1.00 4.31 C ATOM 1488 C LEU A 96 12.260 -6.695 13.347 1.00 5.40 C ATOM 1489 O LEU A 96 11.352 -6.421 14.133 1.00 6.33 O ATOM 1490 CB LEU A 96 10.914 -7.584 11.328 1.00 4.24 C ATOM 1491 CG LEU A 96 9.486 -7.084 11.108 1.00 5.00 C ATOM 1492 CD1 LEU A 96 8.859 -6.578 12.383 1.00 5.94 C ATOM 1493 CD2 LEU A 96 9.471 -5.998 10.053 1.00 5.20 C ATOM 0 H LEU A 96 13.189 -7.580 10.391 1.00 3.34 H new ATOM 0 HA LEU A 96 11.654 -5.572 11.709 1.00 4.31 H new ATOM 0 HB2 LEU A 96 11.260 -8.007 10.385 1.00 4.24 H new ATOM 0 HB3 LEU A 96 10.866 -8.403 12.046 1.00 4.24 H new ATOM 0 HG LEU A 96 8.892 -7.932 10.766 1.00 5.00 H new ATOM 0 HD11 LEU A 96 7.845 -6.233 12.178 1.00 5.94 H new ATOM 0 HD12 LEU A 96 8.827 -7.383 13.117 1.00 5.94 H new ATOM 0 HD13 LEU A 96 9.451 -5.751 12.776 1.00 5.94 H new ATOM 0 HD21 LEU A 96 8.449 -5.649 9.904 1.00 5.20 H new ATOM 0 HD22 LEU A 96 10.095 -5.166 10.379 1.00 5.20 H new ATOM 0 HD23 LEU A 96 9.858 -6.396 9.115 1.00 5.20 H new ATOM 1505 N GLN A 97 13.479 -7.009 13.803 1.00 5.63 N ATOM 1506 CA GLN A 97 13.841 -6.906 15.226 1.00 7.02 C ATOM 1507 C GLN A 97 14.073 -5.450 15.671 1.00 8.13 C ATOM 1508 O GLN A 97 13.812 -5.121 16.830 1.00 9.31 O ATOM 1509 CB GLN A 97 15.109 -7.720 15.524 1.00 7.18 C ATOM 1510 CG GLN A 97 15.015 -9.213 15.168 1.00 6.48 C ATOM 1511 CD GLN A 97 16.374 -9.887 15.325 1.00 6.95 C ATOM 1512 OE1 GLN A 97 17.021 -9.807 16.363 1.00 8.15 O ATOM 1513 NE2 GLN A 97 16.898 -10.503 14.292 1.00 6.50 N ATOM 0 H GLN A 97 14.237 -7.339 13.205 1.00 5.63 H new ATOM 0 HA GLN A 97 12.996 -7.306 15.786 1.00 7.02 H new ATOM 0 HB2 GLN A 97 15.943 -7.282 14.975 1.00 7.18 H new ATOM 0 HB3 GLN A 97 15.342 -7.628 16.585 1.00 7.18 H new ATOM 0 HG2 GLN A 97 14.284 -9.701 15.813 1.00 6.48 H new ATOM 0 HG3 GLN A 97 14.662 -9.327 14.143 1.00 6.48 H new ATOM 0 HE21 GLN A 97 16.371 -10.577 13.422 1.00 6.50 H new ATOM 0 HE22 GLN A 97 17.832 -10.908 14.359 1.00 6.50 H new ATOM 1522 N THR A 98 14.573 -4.587 14.774 1.00 8.18 N ATOM 1523 CA THR A 98 15.066 -3.223 15.078 1.00 9.60 C ATOM 1524 C THR A 98 14.702 -2.120 14.058 1.00 10.53 C ATOM 1525 O THR A 98 15.517 -1.223 13.812 1.00 11.41 O ATOM 1526 CB THR A 98 16.593 -3.265 15.313 1.00 9.97 C ATOM 1527 OG1 THR A 98 17.267 -3.789 14.186 1.00 9.95 O ATOM 1528 CG2 THR A 98 16.992 -4.127 16.514 1.00 9.92 C ATOM 0 H THR A 98 14.651 -4.821 13.784 1.00 8.18 H new ATOM 0 HA THR A 98 14.534 -2.926 15.982 1.00 9.60 H new ATOM 0 HB THR A 98 16.879 -2.230 15.501 1.00 9.97 H new ATOM 0 HG1 THR A 98 18.231 -3.803 14.359 1.00 9.95 H new ATOM 0 HG21 THR A 98 18.076 -4.116 16.626 1.00 9.92 H new ATOM 0 HG22 THR A 98 16.530 -3.729 17.417 1.00 9.92 H new ATOM 0 HG23 THR A 98 16.654 -5.151 16.355 1.00 9.92 H new ATOM 1536 N PRO A 99 13.484 -2.098 13.463 1.00 10.80 N ATOM 1537 CA PRO A 99 13.112 -1.105 12.448 1.00 12.12 C ATOM 1538 C PRO A 99 12.790 0.281 13.036 1.00 13.52 C ATOM 1539 O PRO A 99 12.599 1.241 12.289 1.00 15.03 O ATOM 1540 CB PRO A 99 11.900 -1.721 11.744 1.00 12.16 C ATOM 1541 CG PRO A 99 11.183 -2.439 12.885 1.00 11.59 C ATOM 1542 CD PRO A 99 12.341 -2.965 13.732 1.00 10.37 C ATOM 0 HA PRO A 99 13.940 -0.907 11.768 1.00 12.12 H new ATOM 0 HB2 PRO A 99 11.269 -0.961 11.283 1.00 12.16 H new ATOM 0 HB3 PRO A 99 12.197 -2.411 10.954 1.00 12.16 H new ATOM 0 HG2 PRO A 99 10.543 -1.762 13.450 1.00 11.59 H new ATOM 0 HG3 PRO A 99 10.549 -3.247 12.520 1.00 11.59 H new ATOM 0 HD2 PRO A 99 12.084 -2.950 14.791 1.00 10.37 H new ATOM 0 HD3 PRO A 99 12.570 -3.999 13.475 1.00 10.37 H new ATOM 1550 N VAL A 100 12.724 0.390 14.367 1.00 13.23 N ATOM 1551 CA VAL A 100 12.440 1.617 15.123 1.00 14.51 C ATOM 1552 C VAL A 100 13.613 2.598 15.030 1.00 15.60 C ATOM 1553 O VAL A 100 14.752 2.249 15.355 1.00 15.64 O ATOM 1554 CB VAL A 100 12.161 1.263 16.597 1.00 14.06 C ATOM 1555 CG1 VAL A 100 11.937 2.507 17.466 1.00 14.95 C ATOM 1556 CG2 VAL A 100 10.926 0.364 16.742 1.00 13.89 C ATOM 0 H VAL A 100 12.874 -0.413 14.977 1.00 13.23 H new ATOM 0 HA VAL A 100 11.561 2.097 14.693 1.00 14.51 H new ATOM 0 HB VAL A 100 13.052 0.737 16.939 1.00 14.06 H new ATOM 0 HG11 VAL A 100 11.745 2.202 18.495 1.00 14.95 H new ATOM 0 HG12 VAL A 100 12.825 3.138 17.434 1.00 14.95 H new ATOM 0 HG13 VAL A 100 11.081 3.066 17.087 1.00 14.95 H new ATOM 0 HG21 VAL A 100 10.763 0.137 17.796 1.00 13.89 H new ATOM 0 HG22 VAL A 100 10.052 0.879 16.342 1.00 13.89 H new ATOM 0 HG23 VAL A 100 11.084 -0.563 16.191 1.00 13.89 H new ATOM 1566 N THR A 101 13.317 3.844 14.654 1.00 16.73 N ATOM 1567 CA THR A 101 14.256 4.985 14.632 1.00 18.09 C ATOM 1568 C THR A 101 13.674 6.261 15.277 1.00 18.77 C ATOM 1569 O THR A 101 14.379 7.260 15.458 1.00 20.10 O ATOM 1570 CB THR A 101 14.750 5.206 13.193 1.00 19.04 C ATOM 1571 OG1 THR A 101 15.957 5.932 13.190 1.00 20.11 O ATOM 1572 CG2 THR A 101 13.737 5.915 12.293 1.00 19.79 C ATOM 0 H THR A 101 12.381 4.104 14.343 1.00 16.73 H new ATOM 0 HA THR A 101 15.114 4.739 15.257 1.00 18.09 H new ATOM 0 HB THR A 101 14.901 4.208 12.781 1.00 19.04 H new ATOM 0 HG1 THR A 101 15.934 6.608 13.899 1.00 20.11 H new ATOM 0 HG21 THR A 101 14.158 6.034 11.295 1.00 19.79 H new ATOM 0 HG22 THR A 101 12.825 5.321 12.233 1.00 19.79 H new ATOM 0 HG23 THR A 101 13.505 6.896 12.709 1.00 19.79 H new ATOM 1580 N ASN A 102 12.388 6.224 15.651 1.00 18.01 N ATOM 1581 CA ASN A 102 11.695 7.213 16.477 1.00 18.56 C ATOM 1582 C ASN A 102 10.663 6.551 17.424 1.00 17.80 C ATOM 1583 O ASN A 102 10.770 6.722 18.643 1.00 17.82 O ATOM 1584 CB ASN A 102 11.077 8.264 15.536 1.00 19.32 C ATOM 1585 CG ASN A 102 10.166 9.249 16.244 1.00 19.89 C ATOM 1586 OD1 ASN A 102 8.987 9.343 15.943 1.00 20.22 O ATOM 1587 ND2 ASN A 102 10.663 10.011 17.184 1.00 20.20 N ATOM 0 H ASN A 102 11.773 5.461 15.368 1.00 18.01 H new ATOM 0 HA ASN A 102 12.398 7.711 17.145 1.00 18.56 H new ATOM 0 HB2 ASN A 102 11.878 8.813 15.041 1.00 19.32 H new ATOM 0 HB3 ASN A 102 10.511 7.754 14.756 1.00 19.32 H new ATOM 0 HD21 ASN A 102 10.065 10.683 17.665 1.00 20.20 H new ATOM 0 HD22 ASN A 102 11.648 9.933 17.436 1.00 20.20 H new ATOM 1594 N ARG A 103 9.697 5.779 16.897 1.00 17.43 N ATOM 1595 CA ARG A 103 8.644 5.073 17.674 1.00 17.00 C ATOM 1596 C ARG A 103 8.347 3.665 17.146 1.00 16.18 C ATOM 1597 O ARG A 103 8.427 2.699 17.905 1.00 15.89 O ATOM 1598 CB ARG A 103 7.344 5.900 17.662 1.00 17.93 C ATOM 1599 CG ARG A 103 7.423 7.202 18.477 1.00 18.90 C ATOM 1600 CD ARG A 103 6.153 8.048 18.332 1.00 19.84 C ATOM 1601 NE ARG A 103 4.970 7.378 18.894 1.00 19.56 N ATOM 1602 CZ ARG A 103 3.693 7.717 18.648 1.00 20.23 C ATOM 1603 NH1 ARG A 103 3.376 8.737 17.835 1.00 21.24 N ATOM 1604 NH2 ARG A 103 2.709 7.021 19.233 1.00 20.10 N ATOM 0 H ARG A 103 9.618 5.620 15.893 1.00 17.43 H new ATOM 0 HA ARG A 103 9.026 4.965 18.689 1.00 17.00 H new ATOM 0 HB2 ARG A 103 7.090 6.144 16.630 1.00 17.93 H new ATOM 0 HB3 ARG A 103 6.532 5.287 18.053 1.00 17.93 H new ATOM 0 HG2 ARG A 103 7.581 6.962 19.529 1.00 18.90 H new ATOM 0 HG3 ARG A 103 8.285 7.783 18.149 1.00 18.90 H new ATOM 0 HD2 ARG A 103 6.298 9.006 18.832 1.00 19.84 H new ATOM 0 HD3 ARG A 103 5.980 8.262 17.277 1.00 19.84 H new ATOM 0 HE ARG A 103 5.132 6.591 19.522 1.00 19.56 H new ATOM 0 HH11 ARG A 103 4.114 9.278 17.385 1.00 21.24 H new ATOM 0 HH12 ARG A 103 2.397 8.971 17.668 1.00 21.24 H new ATOM 0 HH21 ARG A 103 2.934 6.245 19.856 1.00 20.10 H new ATOM 0 HH22 ARG A 103 1.735 7.267 19.056 1.00 20.10 H new ATOM 1618 N GLY A 104 7.984 3.556 15.865 1.00 16.16 N ATOM 1619 CA GLY A 104 7.582 2.316 15.192 1.00 15.96 C ATOM 1620 C GLY A 104 6.353 1.655 15.825 1.00 15.32 C ATOM 1621 O GLY A 104 5.225 2.092 15.597 1.00 15.77 O ATOM 0 H GLY A 104 7.961 4.363 15.242 1.00 16.16 H new ATOM 0 HA2 GLY A 104 7.371 2.531 14.144 1.00 15.96 H new ATOM 0 HA3 GLY A 104 8.415 1.613 15.212 1.00 15.96 H new ATOM 1625 N ILE A 105 6.567 0.596 16.612 1.00 14.70 N ATOM 1626 CA ILE A 105 5.522 -0.141 17.345 1.00 14.55 C ATOM 1627 C ILE A 105 5.832 -0.022 18.856 1.00 15.07 C ATOM 1628 O ILE A 105 6.589 -0.846 19.384 1.00 15.12 O ATOM 1629 CB ILE A 105 5.402 -1.602 16.845 1.00 14.10 C ATOM 1630 CG1 ILE A 105 5.258 -1.655 15.304 1.00 14.21 C ATOM 1631 CG2 ILE A 105 4.188 -2.262 17.525 1.00 14.18 C ATOM 1632 CD1 ILE A 105 5.094 -3.064 14.729 1.00 14.41 C ATOM 0 H ILE A 105 7.500 0.213 16.764 1.00 14.70 H new ATOM 0 HA ILE A 105 4.539 0.292 17.160 1.00 14.55 H new ATOM 0 HB ILE A 105 6.310 -2.145 17.106 1.00 14.10 H new ATOM 0 HG12 ILE A 105 4.397 -1.055 15.012 1.00 14.21 H new ATOM 0 HG13 ILE A 105 6.136 -1.193 14.854 1.00 14.21 H new ATOM 0 HG21 ILE A 105 4.093 -3.292 17.180 1.00 14.18 H new ATOM 0 HG22 ILE A 105 4.327 -2.252 18.606 1.00 14.18 H new ATOM 0 HG23 ILE A 105 3.283 -1.710 17.270 1.00 14.18 H new ATOM 0 HD11 ILE A 105 5.000 -3.006 13.645 1.00 14.41 H new ATOM 0 HD12 ILE A 105 5.966 -3.666 14.986 1.00 14.41 H new ATOM 0 HD13 ILE A 105 4.199 -3.525 15.146 1.00 14.41 H new ATOM 1644 N PRO A 106 5.346 1.042 19.529 1.00 15.73 N ATOM 1645 CA PRO A 106 5.879 1.522 20.809 1.00 16.51 C ATOM 1646 C PRO A 106 5.756 0.542 21.979 1.00 16.54 C ATOM 1647 O PRO A 106 6.779 0.348 22.672 1.00 16.76 O ATOM 1648 CB PRO A 106 5.190 2.867 21.080 1.00 17.37 C ATOM 1649 CG PRO A 106 3.915 2.809 20.244 1.00 17.16 C ATOM 1650 CD PRO A 106 4.350 1.987 19.034 1.00 16.11 C ATOM 1651 OXT PRO A 106 4.684 -0.005 22.225 1.00 16.66 O ATOM 0 HA PRO A 106 6.960 1.632 20.726 1.00 16.51 H new ATOM 0 HB2 PRO A 106 4.966 2.994 22.139 1.00 17.37 H new ATOM 0 HB3 PRO A 106 5.822 3.705 20.785 1.00 17.37 H new ATOM 0 HG2 PRO A 106 3.097 2.333 20.785 1.00 17.16 H new ATOM 0 HG3 PRO A 106 3.572 3.803 19.957 1.00 17.16 H new ATOM 0 HD2 PRO A 106 3.502 1.464 18.592 1.00 16.11 H new ATOM 0 HD3 PRO A 106 4.770 2.627 18.258 1.00 16.11 H new TER 1659 PRO A 106 HETATM 1660 FE HEC A 107 -3.772 0.158 2.977 1.00 0.70 FE HETATM 1661 CHA HEC A 107 -4.047 -2.808 1.259 1.00 0.92 C HETATM 1662 CHB HEC A 107 -0.636 0.700 1.604 1.00 0.77 C HETATM 1663 CHC HEC A 107 -3.573 3.203 4.648 1.00 0.82 C HETATM 1664 CHD HEC A 107 -6.981 -0.339 4.321 1.00 0.93 C HETATM 1665 NA HEC A 107 -2.567 -0.859 1.652 1.00 0.70 N HETATM 1666 C1A HEC A 107 -2.877 -2.064 1.111 1.00 0.81 C HETATM 1667 C2A HEC A 107 -1.745 -2.493 0.326 1.00 0.88 C HETATM 1668 C3A HEC A 107 -0.772 -1.528 0.443 1.00 0.84 C HETATM 1669 C4A HEC A 107 -1.314 -0.471 1.265 1.00 0.74 C HETATM 1670 CMA HEC A 107 0.625 -1.610 -0.133 1.00 0.95 C HETATM 1671 CAA HEC A 107 -1.624 -3.815 -0.396 1.00 1.03 C HETATM 1672 CBA HEC A 107 -1.093 -4.935 0.512 1.00 1.60 C HETATM 1673 CGA HEC A 107 -2.060 -5.309 1.631 1.00 2.70 C HETATM 1674 O1A HEC A 107 -2.010 -4.664 2.697 1.00 4.31 O HETATM 1675 O2A HEC A 107 -2.859 -6.237 1.400 1.00 3.14 O HETATM 1676 NB HEC A 107 -2.378 1.695 3.069 1.00 0.66 N HETATM 1677 C1B HEC A 107 -1.169 1.683 2.441 1.00 0.71 C HETATM 1678 C2B HEC A 107 -0.500 2.917 2.778 1.00 0.83 C HETATM 1679 C3B HEC A 107 -1.257 3.548 3.745 1.00 0.78 C HETATM 1680 C4B HEC A 107 -2.508 2.830 3.824 1.00 0.72 C HETATM 1681 CMB HEC A 107 0.781 3.423 2.160 1.00 1.21 C HETATM 1682 CAB HEC A 107 -0.748 4.410 4.885 1.00 1.17 C HETATM 1683 CBB HEC A 107 0.231 5.526 4.505 1.00 1.91 C HETATM 1684 NC HEC A 107 -5.032 1.225 4.271 1.00 0.80 N HETATM 1685 C1C HEC A 107 -4.725 2.440 4.813 1.00 0.84 C HETATM 1686 C2C HEC A 107 -5.857 2.863 5.593 1.00 0.92 C HETATM 1687 C3C HEC A 107 -6.732 1.799 5.650 1.00 1.00 C HETATM 1688 C4C HEC A 107 -6.273 0.818 4.689 1.00 0.89 C HETATM 1689 CMC HEC A 107 -6.035 4.232 6.219 1.00 0.97 C HETATM 1690 CAC HEC A 107 -7.859 1.605 6.646 1.00 1.20 C HETATM 1691 CBC HEC A 107 -9.173 2.172 6.105 1.00 1.62 C HETATM 1692 ND HEC A 107 -5.279 -1.296 2.776 1.00 0.80 N HETATM 1693 C1D HEC A 107 -6.498 -1.277 3.394 1.00 0.89 C HETATM 1694 C2D HEC A 107 -7.232 -2.429 2.909 1.00 1.00 C HETATM 1695 C3D HEC A 107 -6.408 -3.110 2.035 1.00 1.02 C HETATM 1696 C4D HEC A 107 -5.154 -2.400 1.998 1.00 0.89 C HETATM 1697 CMD HEC A 107 -8.657 -2.804 3.244 1.00 1.17 C HETATM 1698 CAD HEC A 107 -6.773 -4.322 1.194 1.00 1.25 C HETATM 1699 CBD HEC A 107 -7.016 -4.007 -0.298 1.00 2.15 C HETATM 1700 CGD HEC A 107 -5.734 -3.907 -1.122 1.00 3.77 C HETATM 1701 O1D HEC A 107 -5.147 -4.974 -1.402 1.00 5.01 O HETATM 1702 O2D HEC A 107 -5.313 -2.767 -1.407 1.00 4.33 O HETATM 0 HMD3 HEC A 107 -8.750 -2.955 4.319 1.00 1.17 H new HETATM 0 HMD2 HEC A 107 -9.327 -2.003 2.931 1.00 1.17 H new HETATM 0 HMD1 HEC A 107 -8.923 -3.724 2.724 1.00 1.17 H new HETATM 0 HMC3 HEC A 107 -5.221 4.421 6.918 1.00 0.97 H new HETATM 0 HMC2 HEC A 107 -6.027 4.993 5.439 1.00 0.97 H new HETATM 0 HMC1 HEC A 107 -6.986 4.268 6.751 1.00 0.97 H new HETATM 0 HMB3 HEC A 107 1.580 2.703 2.337 1.00 1.21 H new HETATM 0 HMB2 HEC A 107 0.641 3.553 1.087 1.00 1.21 H new HETATM 0 HMB1 HEC A 107 1.049 4.379 2.609 1.00 1.21 H new HETATM 0 HMA3 HEC A 107 1.141 -2.474 0.286 1.00 0.95 H new HETATM 0 HMA2 HEC A 107 0.566 -1.712 -1.217 1.00 0.95 H new HETATM 0 HMA1 HEC A 107 1.175 -0.703 0.116 1.00 0.95 H new HETATM 0 HBD2 HEC A 107 -7.652 -4.783 -0.725 1.00 2.15 H new HETATM 0 HBD1 HEC A 107 -7.562 -3.067 -0.377 1.00 2.15 H new HETATM 0 HBC3 HEC A 107 -9.057 3.239 5.912 1.00 1.62 H new HETATM 0 HBC2 HEC A 107 -9.435 1.662 5.178 1.00 1.62 H new HETATM 0 HBC1 HEC A 107 -9.964 2.020 6.839 1.00 1.62 H new HETATM 0 HBB3 HEC A 107 1.115 5.091 4.039 1.00 1.91 H new HETATM 0 HBB2 HEC A 107 -0.250 6.209 3.804 1.00 1.91 H new HETATM 0 HBB1 HEC A 107 0.524 6.073 5.401 1.00 1.91 H new HETATM 0 HBA2 HEC A 107 -0.888 -5.818 -0.093 1.00 1.60 H new HETATM 0 HBA1 HEC A 107 -0.145 -4.621 0.949 1.00 1.60 H new HETATM 0 HAD2 HEC A 107 -5.974 -5.059 1.273 1.00 1.25 H new HETATM 0 HAD1 HEC A 107 -7.671 -4.780 1.608 1.00 1.25 H new HETATM 0 HAA2 HEC A 107 -2.600 -4.102 -0.788 1.00 1.03 H new HETATM 0 HAA1 HEC A 107 -0.958 -3.699 -1.251 1.00 1.03 H new HETATM 0 HHD HEC A 107 -7.954 -0.517 4.778 1.00 0.93 H new HETATM 0 HHC HEC A 107 -3.497 4.144 5.192 1.00 0.82 H new HETATM 0 HHB HEC A 107 0.362 0.856 1.194 1.00 0.77 H new HETATM 0 HHA HEC A 107 -4.098 -3.776 0.761 1.00 0.92 H new HETATM 0 H2D HEC A 107 -6.069 -2.187 -1.636 1.00 4.33 H new