USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=18 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+ -179:sc= 0 (180deg=-0.00248) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 8 THR OG1 : rot -84:sc= 1.24 USER MOD Single : A 11 SER OG : rot 66:sc= 0.686 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 84:sc= 1.25 USER MOD Single : A 18 ASN : amide:sc= 1.1 K(o=1.1,f=-2.5!) USER MOD Single : A 19 THR OG1 : rot 118:sc= 1.21 USER MOD Single : A 23 GLN : amide:sc= 1.32 K(o=1.3,f=-0.01) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) 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) 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 -119:sc= -0.012 (180deg=-0.308) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.103 K(o=-0.1,f=-0.84) USER MOD Single : A 72 MET CE :methyl -144:sc= 0 (180deg=-0.936) USER MOD Single : A 74 ASN : amide:sc= 1.61 K(o=1.6,f=-2.8!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 76:sc= 0.0471 USER MOD Single : A 87 SER OG : rot 73:sc= 1.1 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 5:sc= 1.08 USER MOD Single : A 97 GLN : amide:sc= 0.0874 K(o=0.087,f=-0.99) USER MOD Single : A 98 THR OG1 : rot -170:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 107 HEC O2D : rot -40:sc= 0.72 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 12.943 4.276 7.698 1.00 2.55 N ATOM 2 CA SER A 1 12.527 5.685 7.566 1.00 2.15 C ATOM 3 C SER A 1 11.020 5.808 7.307 1.00 1.67 C ATOM 4 O SER A 1 10.312 6.585 7.955 1.00 2.79 O ATOM 5 CB SER A 1 13.318 6.306 6.405 1.00 2.65 C ATOM 6 OG SER A 1 12.914 7.632 6.138 1.00 3.61 O ATOM 0 H1 SER A 1 13.964 4.232 7.889 1.00 2.55 H new ATOM 0 H2 SER A 1 12.424 3.833 8.483 1.00 2.55 H new ATOM 0 H3 SER A 1 12.734 3.768 6.815 1.00 2.55 H new ATOM 0 HA SER A 1 12.734 6.210 8.498 1.00 2.15 H new ATOM 0 HB2 SER A 1 14.382 6.292 6.643 1.00 2.65 H new ATOM 0 HB3 SER A 1 13.184 5.699 5.510 1.00 2.65 H new ATOM 0 HG SER A 1 13.442 7.991 5.395 1.00 3.61 H new ATOM 12 N GLY A 2 10.497 4.952 6.422 1.00 1.28 N ATOM 13 CA GLY A 2 9.066 4.850 6.139 1.00 0.81 C ATOM 14 C GLY A 2 8.217 4.307 7.292 1.00 0.90 C ATOM 15 O GLY A 2 6.994 4.416 7.222 1.00 0.94 O ATOM 0 H GLY A 2 11.065 4.304 5.877 1.00 1.28 H new ATOM 0 HA2 GLY A 2 8.693 5.837 5.866 1.00 0.81 H new ATOM 0 HA3 GLY A 2 8.927 4.206 5.271 1.00 0.81 H new ATOM 19 N GLU A 3 8.813 3.753 8.358 1.00 1.05 N ATOM 20 CA GLU A 3 8.041 3.240 9.497 1.00 1.18 C ATOM 21 C GLU A 3 7.357 4.377 10.262 1.00 1.12 C ATOM 22 O GLU A 3 6.168 4.267 10.553 1.00 1.06 O ATOM 23 CB GLU A 3 8.898 2.343 10.410 1.00 1.59 C ATOM 24 CG GLU A 3 8.013 1.681 11.479 1.00 2.13 C ATOM 25 CD GLU A 3 8.687 0.575 12.305 1.00 3.13 C ATOM 26 OE1 GLU A 3 9.905 0.297 12.167 1.00 3.76 O ATOM 27 OE2 GLU A 3 7.988 -0.035 13.149 1.00 4.02 O ATOM 0 H GLU A 3 9.823 3.649 8.454 1.00 1.05 H new ATOM 0 HA GLU A 3 7.248 2.605 9.102 1.00 1.18 H new ATOM 0 HB2 GLU A 3 9.398 1.578 9.816 1.00 1.59 H new ATOM 0 HB3 GLU A 3 9.678 2.936 10.888 1.00 1.59 H new ATOM 0 HG2 GLU A 3 7.658 2.454 12.161 1.00 2.13 H new ATOM 0 HG3 GLU A 3 7.135 1.260 10.989 1.00 2.13 H new ATOM 34 N GLN A 4 8.034 5.511 10.476 1.00 1.19 N ATOM 35 CA GLN A 4 7.413 6.703 11.070 1.00 1.21 C ATOM 36 C GLN A 4 6.243 7.208 10.207 1.00 1.16 C ATOM 37 O GLN A 4 5.208 7.618 10.731 1.00 1.29 O ATOM 38 CB GLN A 4 8.480 7.798 11.238 1.00 1.33 C ATOM 39 CG GLN A 4 7.984 8.990 12.080 1.00 1.90 C ATOM 40 CD GLN A 4 8.965 10.160 12.106 1.00 2.43 C ATOM 41 OE1 GLN A 4 10.002 10.169 11.453 1.00 2.81 O ATOM 42 NE2 GLN A 4 8.661 11.222 12.823 1.00 3.78 N ATOM 0 H GLN A 4 9.020 5.629 10.245 1.00 1.19 H new ATOM 0 HA GLN A 4 7.006 6.442 12.047 1.00 1.21 H new ATOM 0 HB2 GLN A 4 9.364 7.369 11.710 1.00 1.33 H new ATOM 0 HB3 GLN A 4 8.785 8.156 10.255 1.00 1.33 H new ATOM 0 HG2 GLN A 4 7.029 9.334 11.683 1.00 1.90 H new ATOM 0 HG3 GLN A 4 7.802 8.654 13.101 1.00 1.90 H new ATOM 0 HE21 GLN A 4 7.803 11.237 13.374 1.00 3.78 H new ATOM 0 HE22 GLN A 4 9.284 12.030 12.827 1.00 3.78 H new ATOM 51 N ILE A 5 6.364 7.147 8.877 1.00 1.00 N ATOM 52 CA ILE A 5 5.307 7.582 7.950 1.00 0.87 C ATOM 53 C ILE A 5 4.115 6.617 8.006 1.00 0.78 C ATOM 54 O ILE A 5 2.973 7.062 8.114 1.00 0.79 O ATOM 55 CB ILE A 5 5.856 7.761 6.516 1.00 0.79 C ATOM 56 CG1 ILE A 5 7.100 8.684 6.541 1.00 1.00 C ATOM 57 CG2 ILE A 5 4.756 8.327 5.591 1.00 0.76 C ATOM 58 CD1 ILE A 5 7.658 9.025 5.159 1.00 0.86 C ATOM 0 H ILE A 5 7.199 6.794 8.409 1.00 1.00 H new ATOM 0 HA ILE A 5 4.948 8.561 8.266 1.00 0.87 H new ATOM 0 HB ILE A 5 6.159 6.791 6.121 1.00 0.79 H new ATOM 0 HG12 ILE A 5 6.841 9.610 7.054 1.00 1.00 H new ATOM 0 HG13 ILE A 5 7.883 8.203 7.128 1.00 1.00 H new ATOM 0 HG21 ILE A 5 5.155 8.449 4.584 1.00 0.76 H new ATOM 0 HG22 ILE A 5 3.912 7.638 5.566 1.00 0.76 H new ATOM 0 HG23 ILE A 5 4.425 9.294 5.969 1.00 0.76 H new ATOM 0 HD11 ILE A 5 8.527 9.674 5.267 1.00 0.86 H new ATOM 0 HD12 ILE A 5 7.952 8.108 4.649 1.00 0.86 H new ATOM 0 HD13 ILE A 5 6.894 9.536 4.574 1.00 0.86 H new ATOM 70 N PHE A 6 4.358 5.302 8.035 1.00 0.78 N ATOM 71 CA PHE A 6 3.293 4.316 8.243 1.00 0.77 C ATOM 72 C PHE A 6 2.611 4.487 9.609 1.00 0.82 C ATOM 73 O PHE A 6 1.382 4.431 9.687 1.00 0.88 O ATOM 74 CB PHE A 6 3.842 2.891 8.082 1.00 0.88 C ATOM 75 CG PHE A 6 2.769 1.838 8.299 1.00 1.00 C ATOM 76 CD1 PHE A 6 1.787 1.627 7.313 1.00 1.80 C ATOM 77 CD2 PHE A 6 2.687 1.146 9.523 1.00 1.37 C ATOM 78 CE1 PHE A 6 0.712 0.755 7.561 1.00 1.98 C ATOM 79 CE2 PHE A 6 1.614 0.269 9.769 1.00 1.51 C ATOM 80 CZ PHE A 6 0.617 0.088 8.795 1.00 1.44 C ATOM 0 H PHE A 6 5.286 4.896 7.917 1.00 0.78 H new ATOM 0 HA PHE A 6 2.533 4.487 7.480 1.00 0.77 H new ATOM 0 HB2 PHE A 6 4.265 2.777 7.084 1.00 0.88 H new ATOM 0 HB3 PHE A 6 4.653 2.733 8.792 1.00 0.88 H new ATOM 0 HD1 PHE A 6 1.859 2.136 6.363 1.00 1.80 H new ATOM 0 HD2 PHE A 6 3.449 1.289 10.275 1.00 1.37 H new ATOM 0 HE1 PHE A 6 -0.041 0.598 6.803 1.00 1.98 H new ATOM 0 HE2 PHE A 6 1.557 -0.265 10.706 1.00 1.51 H new ATOM 0 HZ PHE A 6 -0.221 -0.563 8.994 1.00 1.44 H new ATOM 90 N ARG A 7 3.380 4.728 10.679 1.00 0.91 N ATOM 91 CA ARG A 7 2.876 4.902 12.052 1.00 1.09 C ATOM 92 C ARG A 7 2.083 6.200 12.239 1.00 1.10 C ATOM 93 O ARG A 7 1.149 6.211 13.036 1.00 1.25 O ATOM 94 CB ARG A 7 4.072 4.833 13.021 1.00 1.34 C ATOM 95 CG ARG A 7 3.702 4.516 14.479 1.00 1.75 C ATOM 96 CD ARG A 7 3.103 3.110 14.625 1.00 3.09 C ATOM 97 NE ARG A 7 3.070 2.673 16.029 1.00 3.58 N ATOM 98 CZ ARG A 7 2.685 1.454 16.450 1.00 4.72 C ATOM 99 NH1 ARG A 7 2.234 0.523 15.594 1.00 5.64 N ATOM 100 NH2 ARG A 7 2.754 1.161 17.757 1.00 5.33 N ATOM 0 H ARG A 7 4.395 4.810 10.615 1.00 0.91 H new ATOM 0 HA ARG A 7 2.170 4.099 12.265 1.00 1.09 H new ATOM 0 HB2 ARG A 7 4.768 4.074 12.664 1.00 1.34 H new ATOM 0 HB3 ARG A 7 4.599 5.787 12.994 1.00 1.34 H new ATOM 0 HG2 ARG A 7 4.590 4.599 15.105 1.00 1.75 H new ATOM 0 HG3 ARG A 7 2.987 5.255 14.841 1.00 1.75 H new ATOM 0 HD2 ARG A 7 2.092 3.102 14.218 1.00 3.09 H new ATOM 0 HD3 ARG A 7 3.689 2.403 14.038 1.00 3.09 H new ATOM 0 HE ARG A 7 3.361 3.346 16.738 1.00 3.58 H new ATOM 0 HH11 ARG A 7 2.177 0.732 14.597 1.00 5.64 H new ATOM 0 HH12 ARG A 7 1.949 -0.393 15.941 1.00 5.64 H new ATOM 0 HH21 ARG A 7 3.095 1.858 18.419 1.00 5.33 H new ATOM 0 HH22 ARG A 7 2.465 0.241 18.089 1.00 5.33 H new ATOM 114 N THR A 8 2.405 7.256 11.482 1.00 1.06 N ATOM 115 CA THR A 8 1.742 8.575 11.570 1.00 1.20 C ATOM 116 C THR A 8 0.611 8.815 10.567 1.00 1.16 C ATOM 117 O THR A 8 -0.374 9.453 10.950 1.00 1.43 O ATOM 118 CB THR A 8 2.741 9.741 11.494 1.00 1.32 C ATOM 119 OG1 THR A 8 3.545 9.679 10.334 1.00 1.36 O ATOM 120 CG2 THR A 8 3.687 9.792 12.690 1.00 1.57 C ATOM 0 H THR A 8 3.143 7.224 10.779 1.00 1.06 H new ATOM 0 HA THR A 8 1.278 8.545 12.556 1.00 1.20 H new ATOM 0 HB THR A 8 2.115 10.633 11.480 1.00 1.32 H new ATOM 0 HG1 THR A 8 4.308 9.086 10.496 1.00 1.36 H new ATOM 0 HG21 THR A 8 4.368 10.636 12.579 1.00 1.57 H new ATOM 0 HG22 THR A 8 3.109 9.910 13.606 1.00 1.57 H new ATOM 0 HG23 THR A 8 4.261 8.867 12.740 1.00 1.57 H new ATOM 128 N ARG A 9 0.699 8.325 9.320 1.00 0.93 N ATOM 129 CA ARG A 9 -0.304 8.582 8.260 1.00 1.05 C ATOM 130 C ARG A 9 -1.157 7.374 7.846 1.00 0.92 C ATOM 131 O ARG A 9 -2.204 7.587 7.233 1.00 1.16 O ATOM 132 CB ARG A 9 0.389 9.163 7.016 1.00 1.29 C ATOM 133 CG ARG A 9 1.032 10.532 7.272 1.00 1.60 C ATOM 134 CD ARG A 9 1.489 11.148 5.944 1.00 1.37 C ATOM 135 NE ARG A 9 2.117 12.461 6.143 1.00 2.07 N ATOM 136 CZ ARG A 9 1.490 13.652 6.176 1.00 2.41 C ATOM 137 NH1 ARG A 9 0.156 13.755 6.078 1.00 2.63 N ATOM 138 NH2 ARG A 9 2.226 14.766 6.301 1.00 3.52 N ATOM 0 H ARG A 9 1.471 7.735 9.011 1.00 0.93 H new ATOM 0 HA ARG A 9 -1.002 9.292 8.703 1.00 1.05 H new ATOM 0 HB2 ARG A 9 1.155 8.466 6.675 1.00 1.29 H new ATOM 0 HB3 ARG A 9 -0.340 9.255 6.211 1.00 1.29 H new ATOM 0 HG2 ARG A 9 0.318 11.193 7.763 1.00 1.60 H new ATOM 0 HG3 ARG A 9 1.882 10.424 7.945 1.00 1.60 H new ATOM 0 HD2 ARG A 9 2.195 10.477 5.455 1.00 1.37 H new ATOM 0 HD3 ARG A 9 0.633 11.251 5.277 1.00 1.37 H new ATOM 0 HE ARG A 9 3.129 12.471 6.269 1.00 2.07 H new ATOM 0 HH11 ARG A 9 -0.414 12.916 5.975 1.00 2.63 H new ATOM 0 HH12 ARG A 9 -0.288 14.673 6.107 1.00 2.63 H new ATOM 0 HH21 ARG A 9 3.242 14.701 6.369 1.00 3.52 H new ATOM 0 HH22 ARG A 9 1.770 15.678 6.328 1.00 3.52 H new ATOM 152 N CYS A 10 -0.739 6.136 8.126 1.00 0.73 N ATOM 153 CA CYS A 10 -1.324 4.935 7.496 1.00 0.77 C ATOM 154 C CYS A 10 -1.574 3.747 8.442 1.00 0.72 C ATOM 155 O CYS A 10 -1.818 2.639 7.968 1.00 0.86 O ATOM 156 CB CYS A 10 -0.444 4.481 6.322 1.00 1.05 C ATOM 157 SG CYS A 10 -0.094 5.715 5.035 1.00 1.62 S ATOM 0 H CYS A 10 0.008 5.932 8.790 1.00 0.73 H new ATOM 0 HA CYS A 10 -2.312 5.247 7.157 1.00 0.77 H new ATOM 0 HB2 CYS A 10 0.507 4.132 6.725 1.00 1.05 H new ATOM 0 HB3 CYS A 10 -0.924 3.624 5.849 1.00 1.05 H new ATOM 162 N SER A 11 -1.528 3.916 9.764 1.00 0.84 N ATOM 163 CA SER A 11 -1.693 2.809 10.723 1.00 0.99 C ATOM 164 C SER A 11 -3.128 2.573 11.181 1.00 1.11 C ATOM 165 O SER A 11 -3.469 1.455 11.569 1.00 1.99 O ATOM 166 CB SER A 11 -0.792 3.047 11.930 1.00 1.16 C ATOM 167 OG SER A 11 0.504 2.640 11.558 1.00 2.05 O ATOM 0 H SER A 11 -1.375 4.822 10.206 1.00 0.84 H new ATOM 0 HA SER A 11 -1.406 1.902 10.191 1.00 0.99 H new ATOM 0 HB2 SER A 11 -0.799 4.099 12.216 1.00 1.16 H new ATOM 0 HB3 SER A 11 -1.143 2.479 12.792 1.00 1.16 H new ATOM 0 HG SER A 11 0.841 3.228 10.850 1.00 2.05 H new ATOM 173 N SER A 12 -4.002 3.576 11.093 1.00 1.23 N ATOM 174 CA SER A 12 -5.359 3.522 11.660 1.00 1.33 C ATOM 175 C SER A 12 -6.341 2.593 10.919 1.00 1.23 C ATOM 176 O SER A 12 -7.517 2.553 11.287 1.00 1.62 O ATOM 177 CB SER A 12 -5.921 4.941 11.798 1.00 1.66 C ATOM 178 OG SER A 12 -4.975 5.774 12.450 1.00 2.73 O ATOM 0 H SER A 12 -3.791 4.457 10.624 1.00 1.23 H new ATOM 0 HA SER A 12 -5.255 3.065 12.644 1.00 1.33 H new ATOM 0 HB2 SER A 12 -6.157 5.345 10.814 1.00 1.66 H new ATOM 0 HB3 SER A 12 -6.851 4.919 12.365 1.00 1.66 H new ATOM 0 HG SER A 12 -5.339 6.680 12.534 1.00 2.73 H new ATOM 184 N CYS A 13 -5.867 1.839 9.911 1.00 0.91 N ATOM 185 CA CYS A 13 -6.606 0.777 9.204 1.00 0.87 C ATOM 186 C CYS A 13 -5.787 -0.482 8.806 1.00 0.98 C ATOM 187 O CYS A 13 -6.326 -1.306 8.072 1.00 1.40 O ATOM 188 CB CYS A 13 -7.264 1.344 7.930 1.00 1.00 C ATOM 189 SG CYS A 13 -8.307 2.838 8.049 1.00 0.92 S ATOM 0 H CYS A 13 -4.920 1.958 9.552 1.00 0.91 H new ATOM 0 HA CYS A 13 -7.338 0.439 9.938 1.00 0.87 H new ATOM 0 HB2 CYS A 13 -6.467 1.557 7.217 1.00 1.00 H new ATOM 0 HB3 CYS A 13 -7.875 0.552 7.497 1.00 1.00 H new ATOM 194 N HIS A 14 -4.513 -0.658 9.215 1.00 0.87 N ATOM 195 CA HIS A 14 -3.680 -1.849 8.889 1.00 0.99 C ATOM 196 C HIS A 14 -2.517 -2.080 9.890 1.00 0.91 C ATOM 197 O HIS A 14 -2.224 -1.215 10.718 1.00 0.99 O ATOM 198 CB HIS A 14 -3.071 -1.781 7.458 1.00 1.30 C ATOM 199 CG HIS A 14 -3.482 -0.653 6.550 1.00 0.95 C ATOM 200 ND1 HIS A 14 -3.245 0.666 6.794 1.00 2.61 N ATOM 201 CD2 HIS A 14 -4.016 -0.749 5.293 1.00 1.22 C ATOM 202 CE1 HIS A 14 -3.636 1.362 5.725 1.00 2.93 C ATOM 203 NE2 HIS A 14 -4.111 0.553 4.753 1.00 1.27 N ATOM 0 H HIS A 14 -4.022 0.028 9.788 1.00 0.87 H new ATOM 0 HA HIS A 14 -4.378 -2.683 8.955 1.00 0.99 H new ATOM 0 HB2 HIS A 14 -1.987 -1.743 7.562 1.00 1.30 H new ATOM 0 HB3 HIS A 14 -3.310 -2.716 6.952 1.00 1.30 H new ATOM 0 HD1 HIS A 14 -2.839 1.054 7.646 1.00 2.61 H new ATOM 0 HD2 HIS A 14 -4.313 -1.662 4.799 1.00 1.22 H new ATOM 0 HE1 HIS A 14 -3.580 2.438 5.647 1.00 2.93 H new ATOM 211 N THR A 15 -1.768 -3.182 9.733 1.00 0.93 N ATOM 212 CA THR A 15 -0.413 -3.372 10.313 1.00 0.92 C ATOM 213 C THR A 15 0.565 -3.995 9.311 1.00 0.88 C ATOM 214 O THR A 15 0.269 -5.019 8.714 1.00 1.09 O ATOM 215 CB THR A 15 -0.410 -4.239 11.593 1.00 1.05 C ATOM 216 OG1 THR A 15 -1.243 -5.371 11.489 1.00 1.63 O ATOM 217 CG2 THR A 15 -0.876 -3.457 12.821 1.00 1.38 C ATOM 0 H THR A 15 -2.085 -3.986 9.191 1.00 0.93 H new ATOM 0 HA THR A 15 -0.087 -2.365 10.572 1.00 0.92 H new ATOM 0 HB THR A 15 0.628 -4.550 11.707 1.00 1.05 H new ATOM 0 HG1 THR A 15 -0.756 -6.096 11.044 1.00 1.63 H new ATOM 0 HG21 THR A 15 -0.857 -4.108 13.695 1.00 1.38 H new ATOM 0 HG22 THR A 15 -0.212 -2.608 12.986 1.00 1.38 H new ATOM 0 HG23 THR A 15 -1.892 -3.097 12.659 1.00 1.38 H new ATOM 225 N VAL A 16 1.767 -3.428 9.153 1.00 1.26 N ATOM 226 CA VAL A 16 2.915 -4.103 8.503 1.00 1.14 C ATOM 227 C VAL A 16 3.876 -4.573 9.590 1.00 1.32 C ATOM 228 O VAL A 16 4.502 -3.779 10.290 1.00 1.96 O ATOM 229 CB VAL A 16 3.577 -3.268 7.374 1.00 1.72 C ATOM 230 CG1 VAL A 16 3.467 -1.757 7.568 1.00 3.03 C ATOM 231 CG2 VAL A 16 5.031 -3.656 7.087 1.00 2.19 C ATOM 0 H VAL A 16 1.980 -2.483 9.472 1.00 1.26 H new ATOM 0 HA VAL A 16 2.555 -4.978 7.961 1.00 1.14 H new ATOM 0 HB VAL A 16 2.984 -3.529 6.497 1.00 1.72 H new ATOM 0 HG11 VAL A 16 3.954 -1.247 6.737 1.00 3.03 H new ATOM 0 HG12 VAL A 16 2.416 -1.470 7.604 1.00 3.03 H new ATOM 0 HG13 VAL A 16 3.952 -1.474 8.502 1.00 3.03 H new ATOM 0 HG21 VAL A 16 5.424 -3.029 6.287 1.00 2.19 H new ATOM 0 HG22 VAL A 16 5.630 -3.514 7.987 1.00 2.19 H new ATOM 0 HG23 VAL A 16 5.075 -4.702 6.783 1.00 2.19 H new ATOM 241 N GLY A 17 3.912 -5.889 9.785 1.00 1.22 N ATOM 242 CA GLY A 17 4.725 -6.634 10.758 1.00 1.76 C ATOM 243 C GLY A 17 4.262 -6.516 12.213 1.00 2.02 C ATOM 244 O GLY A 17 4.253 -7.504 12.948 1.00 1.90 O ATOM 0 H GLY A 17 3.331 -6.515 9.227 1.00 1.22 H new ATOM 0 HA2 GLY A 17 4.726 -7.687 10.477 1.00 1.76 H new ATOM 0 HA3 GLY A 17 5.755 -6.285 10.691 1.00 1.76 H new ATOM 248 N ASN A 18 3.833 -5.317 12.608 1.00 2.65 N ATOM 249 CA ASN A 18 3.540 -4.876 13.972 1.00 3.25 C ATOM 250 C ASN A 18 2.141 -5.310 14.473 1.00 3.15 C ATOM 251 O ASN A 18 1.348 -4.504 14.965 1.00 3.91 O ATOM 252 CB ASN A 18 3.834 -3.360 14.025 1.00 3.92 C ATOM 253 CG ASN A 18 4.764 -3.023 15.166 1.00 4.69 C ATOM 254 OD1 ASN A 18 5.965 -3.252 15.095 1.00 5.67 O ATOM 255 ND2 ASN A 18 4.258 -2.490 16.244 1.00 4.81 N ATOM 0 H ASN A 18 3.669 -4.572 11.931 1.00 2.65 H new ATOM 0 HA ASN A 18 4.185 -5.378 14.694 1.00 3.25 H new ATOM 0 HB2 ASN A 18 4.279 -3.040 13.083 1.00 3.92 H new ATOM 0 HB3 ASN A 18 2.900 -2.810 14.139 1.00 3.92 H new ATOM 0 HD21 ASN A 18 4.863 -2.262 17.033 1.00 4.81 H new ATOM 0 HD22 ASN A 18 3.257 -2.301 16.298 1.00 4.81 H new ATOM 262 N THR A 19 1.829 -6.594 14.286 1.00 2.87 N ATOM 263 CA THR A 19 0.524 -7.223 14.553 1.00 3.15 C ATOM 264 C THR A 19 0.100 -7.151 16.029 1.00 3.77 C ATOM 265 O THR A 19 0.885 -7.436 16.937 1.00 4.64 O ATOM 266 CB THR A 19 0.501 -8.652 13.996 1.00 3.78 C ATOM 267 OG1 THR A 19 -0.792 -9.208 14.046 1.00 3.98 O ATOM 268 CG2 THR A 19 1.431 -9.584 14.748 1.00 5.22 C ATOM 0 H THR A 19 2.511 -7.261 13.926 1.00 2.87 H new ATOM 0 HA THR A 19 -0.232 -6.642 14.025 1.00 3.15 H new ATOM 0 HB THR A 19 0.836 -8.562 12.963 1.00 3.78 H new ATOM 0 HG1 THR A 19 -1.099 -9.404 13.136 1.00 3.98 H new ATOM 0 HG21 THR A 19 1.376 -10.582 14.313 1.00 5.22 H new ATOM 0 HG22 THR A 19 2.453 -9.213 14.677 1.00 5.22 H new ATOM 0 HG23 THR A 19 1.133 -9.628 15.796 1.00 5.22 H new ATOM 276 N GLU A 20 -1.157 -6.770 16.275 1.00 3.90 N ATOM 277 CA GLU A 20 -1.797 -6.686 17.598 1.00 4.79 C ATOM 278 C GLU A 20 -3.318 -6.931 17.467 1.00 4.91 C ATOM 279 O GLU A 20 -3.883 -6.687 16.397 1.00 4.71 O ATOM 280 CB GLU A 20 -1.583 -5.289 18.220 1.00 5.82 C ATOM 281 CG GLU A 20 -0.149 -4.978 18.672 1.00 6.43 C ATOM 282 CD GLU A 20 -0.104 -3.664 19.462 1.00 7.48 C ATOM 283 OE1 GLU A 20 -0.160 -2.576 18.841 1.00 7.86 O ATOM 284 OE2 GLU A 20 -0.093 -3.700 20.718 1.00 8.36 O ATOM 0 H GLU A 20 -1.790 -6.498 15.523 1.00 3.90 H new ATOM 0 HA GLU A 20 -1.345 -7.445 18.237 1.00 4.79 H new ATOM 0 HB2 GLU A 20 -1.887 -4.536 17.493 1.00 5.82 H new ATOM 0 HB3 GLU A 20 -2.246 -5.188 19.079 1.00 5.82 H new ATOM 0 HG2 GLU A 20 0.228 -5.793 19.290 1.00 6.43 H new ATOM 0 HG3 GLU A 20 0.505 -4.908 17.803 1.00 6.43 H new ATOM 291 N PRO A 21 -4.037 -7.339 18.532 1.00 5.64 N ATOM 292 CA PRO A 21 -5.504 -7.468 18.527 1.00 6.19 C ATOM 293 C PRO A 21 -6.249 -6.128 18.738 1.00 6.60 C ATOM 294 O PRO A 21 -7.471 -6.113 18.916 1.00 6.62 O ATOM 295 CB PRO A 21 -5.795 -8.470 19.650 1.00 7.00 C ATOM 296 CG PRO A 21 -4.707 -8.150 20.674 1.00 7.22 C ATOM 297 CD PRO A 21 -3.497 -7.813 19.802 1.00 6.31 C ATOM 0 HA PRO A 21 -5.866 -7.802 17.555 1.00 6.19 H new ATOM 0 HB2 PRO A 21 -6.794 -8.335 20.065 1.00 7.00 H new ATOM 0 HB3 PRO A 21 -5.732 -9.500 19.300 1.00 7.00 H new ATOM 0 HG2 PRO A 21 -4.989 -7.313 21.313 1.00 7.22 H new ATOM 0 HG3 PRO A 21 -4.508 -8.998 21.329 1.00 7.22 H new ATOM 0 HD2 PRO A 21 -2.878 -7.049 20.272 1.00 6.31 H new ATOM 0 HD3 PRO A 21 -2.866 -8.689 19.655 1.00 6.31 H new ATOM 305 N GLY A 22 -5.535 -4.996 18.784 1.00 7.50 N ATOM 306 CA GLY A 22 -6.033 -3.718 19.306 1.00 8.45 C ATOM 307 C GLY A 22 -6.955 -2.890 18.401 1.00 8.12 C ATOM 308 O GLY A 22 -7.525 -1.914 18.895 1.00 8.98 O ATOM 0 H GLY A 22 -4.572 -4.943 18.451 1.00 7.50 H new ATOM 0 HA2 GLY A 22 -6.567 -3.920 20.234 1.00 8.45 H new ATOM 0 HA3 GLY A 22 -5.171 -3.101 19.562 1.00 8.45 H new ATOM 312 N GLN A 23 -7.126 -3.237 17.120 1.00 7.31 N ATOM 313 CA GLN A 23 -7.808 -2.391 16.127 1.00 7.23 C ATOM 314 C GLN A 23 -8.942 -3.147 15.395 1.00 5.87 C ATOM 315 O GLN A 23 -8.707 -3.803 14.372 1.00 4.95 O ATOM 316 CB GLN A 23 -6.754 -1.795 15.181 1.00 8.05 C ATOM 317 CG GLN A 23 -7.224 -0.493 14.522 1.00 9.32 C ATOM 318 CD GLN A 23 -6.069 0.164 13.776 1.00 10.56 C ATOM 319 OE1 GLN A 23 -5.321 0.966 14.323 1.00 11.46 O ATOM 320 NE2 GLN A 23 -5.841 -0.164 12.529 1.00 11.09 N ATOM 0 H GLN A 23 -6.792 -4.122 16.737 1.00 7.31 H new ATOM 0 HA GLN A 23 -8.315 -1.568 16.631 1.00 7.23 H new ATOM 0 HB2 GLN A 23 -5.836 -1.606 15.738 1.00 8.05 H new ATOM 0 HB3 GLN A 23 -6.512 -2.523 14.407 1.00 8.05 H new ATOM 0 HG2 GLN A 23 -8.042 -0.700 13.832 1.00 9.32 H new ATOM 0 HG3 GLN A 23 -7.612 0.188 15.280 1.00 9.32 H new ATOM 0 HE21 GLN A 23 -6.453 -0.830 12.057 1.00 11.09 H new ATOM 0 HE22 GLN A 23 -5.052 0.246 12.030 1.00 11.09 H new ATOM 329 N PRO A 24 -10.183 -3.085 15.911 1.00 6.55 N ATOM 330 CA PRO A 24 -11.328 -3.784 15.333 1.00 6.41 C ATOM 331 C PRO A 24 -11.843 -3.102 14.059 1.00 5.59 C ATOM 332 O PRO A 24 -11.659 -1.901 13.842 1.00 6.11 O ATOM 333 CB PRO A 24 -12.382 -3.802 16.440 1.00 8.45 C ATOM 334 CG PRO A 24 -12.115 -2.492 17.176 1.00 9.38 C ATOM 335 CD PRO A 24 -10.594 -2.379 17.121 1.00 8.40 C ATOM 0 HA PRO A 24 -11.061 -4.791 15.013 1.00 6.41 H new ATOM 0 HB2 PRO A 24 -13.394 -3.841 16.036 1.00 8.45 H new ATOM 0 HB3 PRO A 24 -12.267 -4.666 17.095 1.00 8.45 H new ATOM 0 HG2 PRO A 24 -12.601 -1.647 16.688 1.00 9.38 H new ATOM 0 HG3 PRO A 24 -12.482 -2.522 18.202 1.00 9.38 H new ATOM 0 HD2 PRO A 24 -10.281 -1.335 17.090 1.00 8.40 H new ATOM 0 HD3 PRO A 24 -10.137 -2.822 18.006 1.00 8.40 H new ATOM 343 N GLY A 25 -12.515 -3.869 13.199 1.00 5.09 N ATOM 344 CA GLY A 25 -13.174 -3.375 11.982 1.00 4.75 C ATOM 345 C GLY A 25 -12.241 -2.996 10.824 1.00 3.36 C ATOM 346 O GLY A 25 -12.632 -3.157 9.670 1.00 3.56 O ATOM 0 H GLY A 25 -12.620 -4.875 13.330 1.00 5.09 H new ATOM 0 HA2 GLY A 25 -13.866 -4.140 11.630 1.00 4.75 H new ATOM 0 HA3 GLY A 25 -13.771 -2.501 12.244 1.00 4.75 H new ATOM 350 N ILE A 26 -11.013 -2.547 11.091 1.00 2.39 N ATOM 351 CA ILE A 26 -9.937 -2.374 10.097 1.00 1.62 C ATOM 352 C ILE A 26 -8.543 -2.473 10.738 1.00 2.94 C ATOM 353 O ILE A 26 -8.044 -1.542 11.368 1.00 4.89 O ATOM 354 CB ILE A 26 -10.057 -1.082 9.246 1.00 1.12 C ATOM 355 CG1 ILE A 26 -11.008 0.026 9.745 1.00 1.62 C ATOM 356 CG2 ILE A 26 -10.429 -1.452 7.803 1.00 1.16 C ATOM 357 CD1 ILE A 26 -10.580 0.671 11.067 1.00 1.41 C ATOM 0 H ILE A 26 -10.725 -2.284 12.033 1.00 2.39 H new ATOM 0 HA ILE A 26 -10.065 -3.206 9.404 1.00 1.62 H new ATOM 0 HB ILE A 26 -9.068 -0.632 9.332 1.00 1.12 H new ATOM 0 HG12 ILE A 26 -11.078 0.801 8.981 1.00 1.62 H new ATOM 0 HG13 ILE A 26 -12.007 -0.394 9.865 1.00 1.62 H new ATOM 0 HG21 ILE A 26 -10.513 -0.545 7.205 1.00 1.16 H new ATOM 0 HG22 ILE A 26 -9.656 -2.094 7.381 1.00 1.16 H new ATOM 0 HG23 ILE A 26 -11.382 -1.980 7.797 1.00 1.16 H new ATOM 0 HD11 ILE A 26 -11.301 1.439 11.347 1.00 1.41 H new ATOM 0 HD12 ILE A 26 -10.538 -0.090 11.846 1.00 1.41 H new ATOM 0 HD13 ILE A 26 -9.595 1.124 10.949 1.00 1.41 H new ATOM 369 N GLY A 27 -7.887 -3.606 10.513 1.00 2.40 N ATOM 370 CA GLY A 27 -6.518 -3.905 10.947 1.00 3.59 C ATOM 371 C GLY A 27 -5.894 -5.173 10.331 1.00 2.77 C ATOM 372 O GLY A 27 -5.270 -5.932 11.082 1.00 2.66 O ATOM 0 H GLY A 27 -8.310 -4.379 10.000 1.00 2.40 H new ATOM 0 HA2 GLY A 27 -5.883 -3.053 10.704 1.00 3.59 H new ATOM 0 HA3 GLY A 27 -6.513 -4.008 12.032 1.00 3.59 H new ATOM 376 N PRO A 28 -6.062 -5.469 9.020 1.00 2.57 N ATOM 377 CA PRO A 28 -5.390 -6.593 8.363 1.00 2.16 C ATOM 378 C PRO A 28 -3.860 -6.436 8.368 1.00 1.80 C ATOM 379 O PRO A 28 -3.332 -5.320 8.353 1.00 1.73 O ATOM 380 CB PRO A 28 -5.928 -6.618 6.927 1.00 2.58 C ATOM 381 CG PRO A 28 -6.234 -5.149 6.657 1.00 2.97 C ATOM 382 CD PRO A 28 -6.764 -4.687 8.010 1.00 3.03 C ATOM 0 HA PRO A 28 -5.592 -7.524 8.892 1.00 2.16 H new ATOM 0 HB2 PRO A 28 -5.193 -7.014 6.226 1.00 2.58 H new ATOM 0 HB3 PRO A 28 -6.819 -7.240 6.839 1.00 2.58 H new ATOM 0 HG2 PRO A 28 -5.345 -4.595 6.355 1.00 2.97 H new ATOM 0 HG3 PRO A 28 -6.972 -5.024 5.864 1.00 2.97 H new ATOM 0 HD2 PRO A 28 -6.586 -3.621 8.152 1.00 3.03 H new ATOM 0 HD3 PRO A 28 -7.841 -4.843 8.078 1.00 3.03 H new ATOM 390 N ASP A 29 -3.163 -7.571 8.347 1.00 1.78 N ATOM 391 CA ASP A 29 -1.704 -7.628 8.239 1.00 1.55 C ATOM 392 C ASP A 29 -1.202 -7.556 6.783 1.00 1.66 C ATOM 393 O ASP A 29 -1.873 -7.996 5.846 1.00 2.07 O ATOM 394 CB ASP A 29 -1.164 -8.854 8.993 1.00 1.74 C ATOM 395 CG ASP A 29 -0.829 -8.517 10.449 1.00 2.78 C ATOM 396 OD1 ASP A 29 -0.044 -7.566 10.669 1.00 3.29 O ATOM 397 OD2 ASP A 29 -1.280 -9.250 11.363 1.00 3.99 O ATOM 0 H ASP A 29 -3.601 -8.490 8.405 1.00 1.78 H new ATOM 0 HA ASP A 29 -1.303 -6.734 8.716 1.00 1.55 H new ATOM 0 HB2 ASP A 29 -1.904 -9.654 8.965 1.00 1.74 H new ATOM 0 HB3 ASP A 29 -0.272 -9.227 8.491 1.00 1.74 H new ATOM 402 N LEU A 30 -0.006 -6.991 6.595 1.00 1.47 N ATOM 403 CA LEU A 30 0.546 -6.575 5.298 1.00 1.60 C ATOM 404 C LEU A 30 1.890 -7.227 4.932 1.00 1.61 C ATOM 405 O LEU A 30 2.199 -7.294 3.743 1.00 2.14 O ATOM 406 CB LEU A 30 0.736 -5.047 5.326 1.00 1.57 C ATOM 407 CG LEU A 30 -0.519 -4.188 5.557 1.00 1.54 C ATOM 408 CD1 LEU A 30 -0.137 -2.712 5.381 1.00 1.49 C ATOM 409 CD2 LEU A 30 -1.654 -4.496 4.581 1.00 1.88 C ATOM 0 H LEU A 30 0.630 -6.803 7.370 1.00 1.47 H new ATOM 0 HA LEU A 30 -0.166 -6.901 4.540 1.00 1.60 H new ATOM 0 HB2 LEU A 30 1.457 -4.810 6.109 1.00 1.57 H new ATOM 0 HB3 LEU A 30 1.183 -4.744 4.379 1.00 1.57 H new ATOM 0 HG LEU A 30 -0.877 -4.412 6.562 1.00 1.54 H new ATOM 0 HD11 LEU A 30 -1.016 -2.087 5.541 1.00 1.49 H new ATOM 0 HD12 LEU A 30 0.634 -2.447 6.105 1.00 1.49 H new ATOM 0 HD13 LEU A 30 0.243 -2.552 4.372 1.00 1.49 H new ATOM 0 HD21 LEU A 30 -2.507 -3.854 4.801 1.00 1.88 H new ATOM 0 HD22 LEU A 30 -1.316 -4.313 3.561 1.00 1.88 H new ATOM 0 HD23 LEU A 30 -1.949 -5.540 4.684 1.00 1.88 H new ATOM 421 N LEU A 31 2.701 -7.659 5.908 1.00 1.18 N ATOM 422 CA LEU A 31 4.149 -7.841 5.712 1.00 1.01 C ATOM 423 C LEU A 31 4.522 -8.808 4.574 1.00 1.04 C ATOM 424 O LEU A 31 3.953 -9.895 4.443 1.00 1.72 O ATOM 425 CB LEU A 31 4.830 -8.161 7.044 1.00 0.89 C ATOM 426 CG LEU A 31 6.368 -8.082 6.960 1.00 1.47 C ATOM 427 CD1 LEU A 31 6.963 -7.491 8.232 1.00 2.44 C ATOM 428 CD2 LEU A 31 7.004 -9.446 6.721 1.00 1.83 C ATOM 0 H LEU A 31 2.377 -7.891 6.847 1.00 1.18 H new ATOM 0 HA LEU A 31 4.544 -6.888 5.359 1.00 1.01 H new ATOM 0 HB2 LEU A 31 4.476 -7.466 7.805 1.00 0.89 H new ATOM 0 HB3 LEU A 31 4.539 -9.161 7.365 1.00 0.89 H new ATOM 0 HG LEU A 31 6.587 -7.435 6.111 1.00 1.47 H new ATOM 0 HD11 LEU A 31 8.048 -7.449 8.141 1.00 2.44 H new ATOM 0 HD12 LEU A 31 6.572 -6.485 8.383 1.00 2.44 H new ATOM 0 HD13 LEU A 31 6.695 -8.116 9.084 1.00 2.44 H new ATOM 0 HD21 LEU A 31 8.087 -9.338 6.669 1.00 1.83 H new ATOM 0 HD22 LEU A 31 6.745 -10.117 7.540 1.00 1.83 H new ATOM 0 HD23 LEU A 31 6.635 -9.860 5.782 1.00 1.83 H new ATOM 440 N GLY A 32 5.517 -8.417 3.781 1.00 0.93 N ATOM 441 CA GLY A 32 5.976 -9.064 2.547 1.00 1.00 C ATOM 442 C GLY A 32 5.232 -8.595 1.287 1.00 0.96 C ATOM 443 O GLY A 32 5.315 -9.247 0.242 1.00 1.03 O ATOM 0 H GLY A 32 6.063 -7.583 3.995 1.00 0.93 H new ATOM 0 HA2 GLY A 32 7.041 -8.871 2.421 1.00 1.00 H new ATOM 0 HA3 GLY A 32 5.857 -10.143 2.647 1.00 1.00 H new ATOM 447 N VAL A 33 4.496 -7.480 1.360 1.00 1.00 N ATOM 448 CA VAL A 33 3.575 -7.022 0.297 1.00 1.10 C ATOM 449 C VAL A 33 4.258 -6.801 -1.059 1.00 0.93 C ATOM 450 O VAL A 33 3.685 -7.167 -2.085 1.00 1.06 O ATOM 451 CB VAL A 33 2.760 -5.792 0.755 1.00 1.35 C ATOM 452 CG1 VAL A 33 3.614 -4.598 1.198 1.00 2.16 C ATOM 453 CG2 VAL A 33 1.761 -5.333 -0.308 1.00 1.96 C ATOM 0 H VAL A 33 4.519 -6.857 2.168 1.00 1.00 H new ATOM 0 HA VAL A 33 2.874 -7.840 0.127 1.00 1.10 H new ATOM 0 HB VAL A 33 2.221 -6.146 1.634 1.00 1.35 H new ATOM 0 HG11 VAL A 33 2.963 -3.779 1.503 1.00 2.16 H new ATOM 0 HG12 VAL A 33 4.244 -4.893 2.037 1.00 2.16 H new ATOM 0 HG13 VAL A 33 4.243 -4.273 0.369 1.00 2.16 H new ATOM 0 HG21 VAL A 33 1.212 -4.466 0.059 1.00 1.96 H new ATOM 0 HG22 VAL A 33 2.296 -5.064 -1.219 1.00 1.96 H new ATOM 0 HG23 VAL A 33 1.062 -6.141 -0.523 1.00 1.96 H new ATOM 463 N THR A 34 5.505 -6.312 -1.097 1.00 0.91 N ATOM 464 CA THR A 34 6.260 -6.158 -2.360 1.00 1.15 C ATOM 465 C THR A 34 6.447 -7.492 -3.108 1.00 1.38 C ATOM 466 O THR A 34 6.406 -7.539 -4.342 1.00 1.95 O ATOM 467 CB THR A 34 7.614 -5.456 -2.123 1.00 1.51 C ATOM 468 OG1 THR A 34 8.229 -5.257 -3.372 1.00 2.86 O ATOM 469 CG2 THR A 34 8.587 -6.266 -1.274 1.00 2.10 C ATOM 0 H THR A 34 6.018 -6.014 -0.268 1.00 0.91 H new ATOM 0 HA THR A 34 5.656 -5.521 -3.006 1.00 1.15 H new ATOM 0 HB THR A 34 7.396 -4.530 -1.591 1.00 1.51 H new ATOM 0 HG1 THR A 34 9.092 -4.810 -3.244 1.00 2.86 H new ATOM 0 HG21 THR A 34 9.515 -5.708 -1.152 1.00 2.10 H new ATOM 0 HG22 THR A 34 8.146 -6.455 -0.296 1.00 2.10 H new ATOM 0 HG23 THR A 34 8.797 -7.215 -1.767 1.00 2.10 H new ATOM 477 N ARG A 35 6.592 -8.609 -2.379 1.00 1.13 N ATOM 478 CA ARG A 35 6.699 -9.960 -2.957 1.00 1.43 C ATOM 479 C ARG A 35 5.329 -10.529 -3.311 1.00 1.65 C ATOM 480 O ARG A 35 5.178 -11.132 -4.371 1.00 2.29 O ATOM 481 CB ARG A 35 7.439 -10.905 -1.994 1.00 1.69 C ATOM 482 CG ARG A 35 8.856 -10.452 -1.611 1.00 1.86 C ATOM 483 CD ARG A 35 9.798 -10.316 -2.815 1.00 3.36 C ATOM 484 NE ARG A 35 11.182 -10.060 -2.382 1.00 4.39 N ATOM 485 CZ ARG A 35 11.860 -8.901 -2.484 1.00 6.08 C ATOM 486 NH1 ARG A 35 11.322 -7.801 -3.034 1.00 7.01 N ATOM 487 NH2 ARG A 35 13.115 -8.843 -2.018 1.00 7.29 N ATOM 0 H ARG A 35 6.639 -8.601 -1.360 1.00 1.13 H new ATOM 0 HA ARG A 35 7.274 -9.878 -3.879 1.00 1.43 H new ATOM 0 HB2 ARG A 35 6.848 -11.010 -1.084 1.00 1.69 H new ATOM 0 HB3 ARG A 35 7.499 -11.893 -2.451 1.00 1.69 H new ATOM 0 HG2 ARG A 35 8.796 -9.493 -1.096 1.00 1.86 H new ATOM 0 HG3 ARG A 35 9.280 -11.167 -0.906 1.00 1.86 H new ATOM 0 HD2 ARG A 35 9.764 -11.227 -3.412 1.00 3.36 H new ATOM 0 HD3 ARG A 35 9.458 -9.502 -3.456 1.00 3.36 H new ATOM 0 HE ARG A 35 11.680 -10.844 -1.960 1.00 4.39 H new ATOM 0 HH11 ARG A 35 10.367 -7.825 -3.393 1.00 7.01 H new ATOM 0 HH12 ARG A 35 11.868 -6.941 -3.093 1.00 7.01 H new ATOM 0 HH21 ARG A 35 13.541 -9.668 -1.595 1.00 7.29 H new ATOM 0 HH22 ARG A 35 13.645 -7.974 -2.086 1.00 7.29 H new ATOM 501 N GLN A 36 4.327 -10.300 -2.459 1.00 1.36 N ATOM 502 CA GLN A 36 2.978 -10.854 -2.626 1.00 1.66 C ATOM 503 C GLN A 36 2.104 -10.136 -3.667 1.00 1.76 C ATOM 504 O GLN A 36 1.129 -10.739 -4.119 1.00 2.20 O ATOM 505 CB GLN A 36 2.268 -10.917 -1.263 1.00 1.73 C ATOM 506 CG GLN A 36 2.893 -11.980 -0.344 1.00 1.97 C ATOM 507 CD GLN A 36 1.929 -12.421 0.750 1.00 3.20 C ATOM 508 OE1 GLN A 36 2.040 -12.046 1.911 1.00 4.19 O ATOM 509 NE2 GLN A 36 0.960 -13.242 0.426 1.00 4.00 N ATOM 0 H GLN A 36 4.428 -9.720 -1.626 1.00 1.36 H new ATOM 0 HA GLN A 36 3.117 -11.857 -3.029 1.00 1.66 H new ATOM 0 HB2 GLN A 36 2.321 -9.941 -0.780 1.00 1.73 H new ATOM 0 HB3 GLN A 36 1.212 -11.141 -1.413 1.00 1.73 H new ATOM 0 HG2 GLN A 36 3.189 -12.845 -0.938 1.00 1.97 H new ATOM 0 HG3 GLN A 36 3.800 -11.580 0.110 1.00 1.97 H new ATOM 0 HE21 GLN A 36 0.861 -13.559 -0.539 1.00 4.00 H new ATOM 0 HE22 GLN A 36 0.305 -13.564 1.138 1.00 4.00 H new ATOM 518 N ARG A 37 2.424 -8.891 -4.066 1.00 1.47 N ATOM 519 CA ARG A 37 1.596 -8.075 -4.981 1.00 1.67 C ATOM 520 C ARG A 37 2.325 -7.431 -6.180 1.00 1.83 C ATOM 521 O ARG A 37 1.665 -6.785 -6.983 1.00 3.67 O ATOM 522 CB ARG A 37 0.845 -7.016 -4.141 1.00 1.77 C ATOM 523 CG ARG A 37 -0.668 -6.973 -4.424 1.00 2.26 C ATOM 524 CD ARG A 37 -1.433 -8.230 -3.988 1.00 1.79 C ATOM 525 NE ARG A 37 -1.363 -8.428 -2.533 1.00 1.53 N ATOM 526 CZ ARG A 37 -1.636 -9.570 -1.875 1.00 1.82 C ATOM 527 NH1 ARG A 37 -2.006 -10.687 -2.520 1.00 2.32 N ATOM 528 NH2 ARG A 37 -1.536 -9.587 -0.541 1.00 2.36 N ATOM 0 H ARG A 37 3.273 -8.416 -3.760 1.00 1.47 H new ATOM 0 HA ARG A 37 0.908 -8.768 -5.466 1.00 1.67 H new ATOM 0 HB2 ARG A 37 1.004 -7.223 -3.083 1.00 1.77 H new ATOM 0 HB3 ARG A 37 1.273 -6.034 -4.341 1.00 1.77 H new ATOM 0 HG2 ARG A 37 -1.095 -6.108 -3.916 1.00 2.26 H new ATOM 0 HG3 ARG A 37 -0.821 -6.822 -5.493 1.00 2.26 H new ATOM 0 HD2 ARG A 37 -2.476 -8.147 -4.295 1.00 1.79 H new ATOM 0 HD3 ARG A 37 -1.020 -9.102 -4.495 1.00 1.79 H new ATOM 0 HE ARG A 37 -1.081 -7.626 -1.970 1.00 1.53 H new ATOM 0 HH11 ARG A 37 -2.087 -10.686 -3.537 1.00 2.32 H new ATOM 0 HH12 ARG A 37 -2.206 -11.537 -1.993 1.00 2.32 H new ATOM 0 HH21 ARG A 37 -1.257 -8.744 -0.040 1.00 2.36 H new ATOM 0 HH22 ARG A 37 -1.739 -10.443 -0.025 1.00 2.36 H new ATOM 542 N ASP A 38 3.628 -7.680 -6.350 1.00 1.38 N ATOM 543 CA ASP A 38 4.583 -7.013 -7.274 1.00 1.46 C ATOM 544 C ASP A 38 5.052 -5.605 -6.853 1.00 1.44 C ATOM 545 O ASP A 38 4.263 -4.735 -6.495 1.00 1.49 O ATOM 546 CB ASP A 38 4.131 -7.020 -8.748 1.00 1.49 C ATOM 547 CG ASP A 38 5.187 -6.387 -9.651 1.00 2.54 C ATOM 548 OD1 ASP A 38 6.273 -6.994 -9.828 1.00 3.34 O ATOM 549 OD2 ASP A 38 4.969 -5.255 -10.138 1.00 3.52 O ATOM 0 H ASP A 38 4.090 -8.409 -5.807 1.00 1.38 H new ATOM 0 HA ASP A 38 5.462 -7.652 -7.188 1.00 1.46 H new ATOM 0 HB2 ASP A 38 3.941 -8.044 -9.068 1.00 1.49 H new ATOM 0 HB3 ASP A 38 3.191 -6.476 -8.846 1.00 1.49 H new ATOM 554 N ALA A 39 6.362 -5.365 -6.976 1.00 1.43 N ATOM 555 CA ALA A 39 7.017 -4.119 -6.582 1.00 1.31 C ATOM 556 C ALA A 39 6.638 -2.903 -7.445 1.00 1.08 C ATOM 557 O ALA A 39 6.585 -1.786 -6.931 1.00 1.21 O ATOM 558 CB ALA A 39 8.532 -4.344 -6.654 1.00 1.43 C ATOM 0 H ALA A 39 7.010 -6.051 -7.363 1.00 1.43 H new ATOM 0 HA ALA A 39 6.680 -3.879 -5.574 1.00 1.31 H new ATOM 0 HB1 ALA A 39 9.050 -3.429 -6.365 1.00 1.43 H new ATOM 0 HB2 ALA A 39 8.813 -5.150 -5.976 1.00 1.43 H new ATOM 0 HB3 ALA A 39 8.812 -4.613 -7.673 1.00 1.43 H new ATOM 564 N ASN A 40 6.415 -3.072 -8.750 1.00 1.00 N ATOM 565 CA ASN A 40 6.060 -1.966 -9.644 1.00 0.93 C ATOM 566 C ASN A 40 4.558 -1.648 -9.563 1.00 0.78 C ATOM 567 O ASN A 40 4.188 -0.470 -9.550 1.00 0.83 O ATOM 568 CB ASN A 40 6.552 -2.311 -11.058 1.00 1.25 C ATOM 569 CG ASN A 40 6.594 -1.104 -11.977 1.00 1.70 C ATOM 570 OD1 ASN A 40 7.640 -0.498 -12.182 1.00 2.61 O ATOM 571 ND2 ASN A 40 5.492 -0.720 -12.573 1.00 2.86 N ATOM 0 H ASN A 40 6.475 -3.977 -9.217 1.00 1.00 H new ATOM 0 HA ASN A 40 6.555 -1.045 -9.336 1.00 0.93 H new ATOM 0 HB2 ASN A 40 7.548 -2.748 -10.994 1.00 1.25 H new ATOM 0 HB3 ASN A 40 5.898 -3.069 -11.490 1.00 1.25 H new ATOM 0 HD21 ASN A 40 5.506 0.081 -13.205 1.00 2.86 H new ATOM 0 HD22 ASN A 40 4.620 -1.222 -12.405 1.00 2.86 H new ATOM 578 N TRP A 41 3.722 -2.684 -9.424 1.00 0.79 N ATOM 579 CA TRP A 41 2.288 -2.556 -9.153 1.00 0.72 C ATOM 580 C TRP A 41 2.023 -1.881 -7.798 1.00 0.65 C ATOM 581 O TRP A 41 1.205 -0.971 -7.723 1.00 0.59 O ATOM 582 CB TRP A 41 1.618 -3.938 -9.211 1.00 0.83 C ATOM 583 CG TRP A 41 0.118 -3.912 -9.123 1.00 0.68 C ATOM 584 CD1 TRP A 41 -0.745 -3.863 -10.165 1.00 0.75 C ATOM 585 CD2 TRP A 41 -0.716 -3.912 -7.920 1.00 0.64 C ATOM 586 NE1 TRP A 41 -2.049 -3.834 -9.698 1.00 0.69 N ATOM 587 CE2 TRP A 41 -2.085 -3.857 -8.318 1.00 0.63 C ATOM 588 CE3 TRP A 41 -0.453 -3.947 -6.533 1.00 0.82 C ATOM 589 CZ2 TRP A 41 -3.133 -3.840 -7.389 1.00 0.74 C ATOM 590 CZ3 TRP A 41 -1.499 -3.892 -5.590 1.00 0.96 C ATOM 591 CH2 TRP A 41 -2.839 -3.844 -6.016 1.00 0.91 C ATOM 0 H TRP A 41 4.031 -3.653 -9.499 1.00 0.79 H new ATOM 0 HA TRP A 41 1.855 -1.917 -9.923 1.00 0.72 H new ATOM 0 HB2 TRP A 41 1.905 -4.427 -10.142 1.00 0.83 H new ATOM 0 HB3 TRP A 41 2.006 -4.549 -8.396 1.00 0.83 H new ATOM 0 HD1 TRP A 41 -0.459 -3.849 -11.206 1.00 0.75 H new ATOM 0 HE1 TRP A 41 -2.875 -3.800 -10.296 1.00 0.69 H new ATOM 0 HE3 TRP A 41 0.568 -4.017 -6.189 1.00 0.82 H new ATOM 0 HZ2 TRP A 41 -4.159 -3.824 -7.726 1.00 0.74 H new ATOM 0 HZ3 TRP A 41 -1.271 -3.887 -4.534 1.00 0.96 H new ATOM 0 HH2 TRP A 41 -3.638 -3.810 -5.290 1.00 0.91 H new ATOM 602 N LEU A 42 2.755 -2.246 -6.735 1.00 0.75 N ATOM 603 CA LEU A 42 2.557 -1.720 -5.376 1.00 0.79 C ATOM 604 C LEU A 42 2.653 -0.186 -5.283 1.00 0.71 C ATOM 605 O LEU A 42 1.809 0.436 -4.640 1.00 0.71 O ATOM 606 CB LEU A 42 3.571 -2.421 -4.453 1.00 1.03 C ATOM 607 CG LEU A 42 3.603 -1.940 -2.992 1.00 1.68 C ATOM 608 CD1 LEU A 42 2.244 -2.063 -2.301 1.00 2.10 C ATOM 609 CD2 LEU A 42 4.617 -2.788 -2.225 1.00 2.17 C ATOM 0 H LEU A 42 3.513 -2.926 -6.796 1.00 0.75 H new ATOM 0 HA LEU A 42 1.537 -1.939 -5.061 1.00 0.79 H new ATOM 0 HB2 LEU A 42 3.357 -3.490 -4.458 1.00 1.03 H new ATOM 0 HB3 LEU A 42 4.567 -2.294 -4.878 1.00 1.03 H new ATOM 0 HG LEU A 42 3.877 -0.885 -2.996 1.00 1.68 H new ATOM 0 HD11 LEU A 42 2.325 -1.710 -1.273 1.00 2.10 H new ATOM 0 HD12 LEU A 42 1.509 -1.461 -2.835 1.00 2.10 H new ATOM 0 HD13 LEU A 42 1.928 -3.106 -2.302 1.00 2.10 H new ATOM 0 HD21 LEU A 42 4.653 -2.461 -1.186 1.00 2.17 H new ATOM 0 HD22 LEU A 42 4.319 -3.836 -2.265 1.00 2.17 H new ATOM 0 HD23 LEU A 42 5.603 -2.673 -2.676 1.00 2.17 H new ATOM 621 N VAL A 43 3.636 0.432 -5.949 1.00 0.73 N ATOM 622 CA VAL A 43 3.760 1.904 -6.038 1.00 0.79 C ATOM 623 C VAL A 43 2.583 2.493 -6.821 1.00 0.68 C ATOM 624 O VAL A 43 1.922 3.416 -6.349 1.00 0.92 O ATOM 625 CB VAL A 43 5.095 2.311 -6.693 1.00 1.04 C ATOM 626 CG1 VAL A 43 5.289 3.830 -6.640 1.00 1.57 C ATOM 627 CG2 VAL A 43 6.283 1.652 -5.990 1.00 1.30 C ATOM 0 H VAL A 43 4.373 -0.070 -6.445 1.00 0.73 H new ATOM 0 HA VAL A 43 3.744 2.304 -5.024 1.00 0.79 H new ATOM 0 HB VAL A 43 5.053 1.977 -7.730 1.00 1.04 H new ATOM 0 HG11 VAL A 43 6.238 4.092 -7.108 1.00 1.57 H new ATOM 0 HG12 VAL A 43 4.474 4.320 -7.173 1.00 1.57 H new ATOM 0 HG13 VAL A 43 5.294 4.160 -5.601 1.00 1.57 H new ATOM 0 HG21 VAL A 43 7.209 1.959 -6.476 1.00 1.30 H new ATOM 0 HG22 VAL A 43 6.303 1.959 -4.944 1.00 1.30 H new ATOM 0 HG23 VAL A 43 6.185 0.568 -6.049 1.00 1.30 H new ATOM 637 N ARG A 44 2.278 1.911 -7.987 1.00 0.57 N ATOM 638 CA ARG A 44 1.211 2.339 -8.905 1.00 0.77 C ATOM 639 C ARG A 44 -0.188 2.266 -8.280 1.00 0.89 C ATOM 640 O ARG A 44 -1.044 3.097 -8.586 1.00 1.44 O ATOM 641 CB ARG A 44 1.321 1.469 -10.169 1.00 0.92 C ATOM 642 CG ARG A 44 0.522 2.001 -11.366 1.00 1.65 C ATOM 643 CD ARG A 44 0.752 1.078 -12.568 1.00 2.43 C ATOM 644 NE ARG A 44 0.106 1.593 -13.782 1.00 3.19 N ATOM 645 CZ ARG A 44 0.254 1.069 -15.013 1.00 4.31 C ATOM 646 NH1 ARG A 44 1.013 -0.018 -15.228 1.00 5.22 N ATOM 647 NH2 ARG A 44 -0.368 1.643 -16.051 1.00 5.17 N ATOM 0 H ARG A 44 2.787 1.097 -8.332 1.00 0.57 H new ATOM 0 HA ARG A 44 1.345 3.393 -9.150 1.00 0.77 H new ATOM 0 HB2 ARG A 44 2.370 1.390 -10.453 1.00 0.92 H new ATOM 0 HB3 ARG A 44 0.977 0.462 -9.935 1.00 0.92 H new ATOM 0 HG2 ARG A 44 -0.539 2.044 -11.121 1.00 1.65 H new ATOM 0 HG3 ARG A 44 0.835 3.017 -11.606 1.00 1.65 H new ATOM 0 HD2 ARG A 44 1.822 0.970 -12.744 1.00 2.43 H new ATOM 0 HD3 ARG A 44 0.364 0.085 -12.343 1.00 2.43 H new ATOM 0 HE ARG A 44 -0.500 2.408 -13.685 1.00 3.19 H new ATOM 0 HH11 ARG A 44 1.494 -0.467 -14.448 1.00 5.22 H new ATOM 0 HH12 ARG A 44 1.108 -0.395 -16.171 1.00 5.22 H new ATOM 0 HH21 ARG A 44 -0.947 2.470 -15.905 1.00 5.17 H new ATOM 0 HH22 ARG A 44 -0.262 1.254 -16.988 1.00 5.17 H new ATOM 661 N TRP A 45 -0.391 1.290 -7.396 1.00 0.57 N ATOM 662 CA TRP A 45 -1.542 1.151 -6.512 1.00 0.57 C ATOM 663 C TRP A 45 -1.520 2.213 -5.412 1.00 0.73 C ATOM 664 O TRP A 45 -2.363 3.104 -5.423 1.00 1.04 O ATOM 665 CB TRP A 45 -1.568 -0.274 -5.933 1.00 0.54 C ATOM 666 CG TRP A 45 -2.526 -0.525 -4.802 1.00 0.62 C ATOM 667 CD1 TRP A 45 -2.178 -0.969 -3.572 1.00 0.81 C ATOM 668 CD2 TRP A 45 -3.984 -0.411 -4.779 1.00 0.65 C ATOM 669 NE1 TRP A 45 -3.308 -1.141 -2.798 1.00 0.92 N ATOM 670 CE2 TRP A 45 -4.456 -0.845 -3.504 1.00 0.82 C ATOM 671 CE3 TRP A 45 -4.961 -0.003 -5.710 1.00 0.69 C ATOM 672 CZ2 TRP A 45 -5.821 -0.900 -3.184 1.00 0.95 C ATOM 673 CZ3 TRP A 45 -6.335 -0.065 -5.412 1.00 0.86 C ATOM 674 CH2 TRP A 45 -6.767 -0.514 -4.150 1.00 0.96 C ATOM 0 H TRP A 45 0.282 0.534 -7.273 1.00 0.57 H new ATOM 0 HA TRP A 45 -2.458 1.310 -7.081 1.00 0.57 H new ATOM 0 HB2 TRP A 45 -1.807 -0.965 -6.741 1.00 0.54 H new ATOM 0 HB3 TRP A 45 -0.563 -0.520 -5.589 1.00 0.54 H new ATOM 0 HD1 TRP A 45 -1.167 -1.160 -3.245 1.00 0.81 H new ATOM 0 HE1 TRP A 45 -3.296 -1.449 -1.826 1.00 0.92 H new ATOM 0 HE3 TRP A 45 -4.647 0.366 -6.675 1.00 0.69 H new ATOM 0 HZ2 TRP A 45 -6.141 -1.235 -2.208 1.00 0.95 H new ATOM 0 HZ3 TRP A 45 -7.061 0.233 -6.154 1.00 0.86 H new ATOM 0 HH2 TRP A 45 -7.822 -0.562 -3.924 1.00 0.96 H new ATOM 685 N LEU A 46 -0.548 2.176 -4.487 1.00 0.64 N ATOM 686 CA LEU A 46 -0.632 2.947 -3.234 1.00 0.79 C ATOM 687 C LEU A 46 -0.512 4.471 -3.428 1.00 0.83 C ATOM 688 O LEU A 46 -0.970 5.231 -2.569 1.00 1.05 O ATOM 689 CB LEU A 46 0.294 2.332 -2.153 1.00 0.93 C ATOM 690 CG LEU A 46 1.536 3.125 -1.700 1.00 0.98 C ATOM 691 CD1 LEU A 46 2.211 2.399 -0.531 1.00 1.78 C ATOM 692 CD2 LEU A 46 2.600 3.255 -2.783 1.00 1.91 C ATOM 0 H LEU A 46 0.303 1.622 -4.582 1.00 0.64 H new ATOM 0 HA LEU A 46 -1.647 2.851 -2.847 1.00 0.79 H new ATOM 0 HB2 LEU A 46 -0.314 2.138 -1.269 1.00 0.93 H new ATOM 0 HB3 LEU A 46 0.636 1.366 -2.523 1.00 0.93 H new ATOM 0 HG LEU A 46 1.170 4.117 -1.434 1.00 0.98 H new ATOM 0 HD11 LEU A 46 3.089 2.961 -0.212 1.00 1.78 H new ATOM 0 HD12 LEU A 46 1.510 2.318 0.300 1.00 1.78 H new ATOM 0 HD13 LEU A 46 2.514 1.401 -0.849 1.00 1.78 H new ATOM 0 HD21 LEU A 46 3.445 3.824 -2.396 1.00 1.91 H new ATOM 0 HD22 LEU A 46 2.937 2.263 -3.083 1.00 1.91 H new ATOM 0 HD23 LEU A 46 2.180 3.771 -3.646 1.00 1.91 H new ATOM 704 N LYS A 47 0.037 4.921 -4.565 1.00 0.75 N ATOM 705 CA LYS A 47 0.086 6.329 -4.978 1.00 0.84 C ATOM 706 C LYS A 47 -1.302 6.881 -5.316 1.00 0.83 C ATOM 707 O LYS A 47 -1.580 8.038 -4.985 1.00 1.07 O ATOM 708 CB LYS A 47 1.058 6.438 -6.173 1.00 0.88 C ATOM 709 CG LYS A 47 1.369 7.880 -6.611 1.00 1.39 C ATOM 710 CD LYS A 47 2.500 7.883 -7.655 1.00 1.46 C ATOM 711 CE LYS A 47 2.817 9.306 -8.134 1.00 2.57 C ATOM 712 NZ LYS A 47 3.937 9.327 -9.101 1.00 2.71 N ATOM 0 H LYS A 47 0.472 4.295 -5.243 1.00 0.75 H new ATOM 0 HA LYS A 47 0.446 6.941 -4.151 1.00 0.84 H new ATOM 0 HB2 LYS A 47 1.992 5.941 -5.912 1.00 0.88 H new ATOM 0 HB3 LYS A 47 0.635 5.897 -7.020 1.00 0.88 H new ATOM 0 HG2 LYS A 47 0.475 8.342 -7.030 1.00 1.39 H new ATOM 0 HG3 LYS A 47 1.660 8.476 -5.746 1.00 1.39 H new ATOM 0 HD2 LYS A 47 3.395 7.435 -7.225 1.00 1.46 H new ATOM 0 HD3 LYS A 47 2.213 7.266 -8.507 1.00 1.46 H new ATOM 0 HE2 LYS A 47 1.930 9.739 -8.596 1.00 2.57 H new ATOM 0 HE3 LYS A 47 3.066 9.931 -7.276 1.00 2.57 H new ATOM 0 HZ1 LYS A 47 4.119 10.306 -9.400 1.00 2.71 H new ATOM 0 HZ2 LYS A 47 4.790 8.937 -8.652 1.00 2.71 H new ATOM 0 HZ3 LYS A 47 3.689 8.752 -9.932 1.00 2.71 H new ATOM 726 N VAL A 48 -2.166 6.079 -5.957 1.00 0.64 N ATOM 727 CA VAL A 48 -3.436 6.535 -6.559 1.00 0.61 C ATOM 728 C VAL A 48 -4.475 5.396 -6.797 1.00 0.61 C ATOM 729 O VAL A 48 -4.892 5.149 -7.933 1.00 0.76 O ATOM 730 CB VAL A 48 -3.114 7.399 -7.807 1.00 0.80 C ATOM 731 CG1 VAL A 48 -2.442 6.648 -8.967 1.00 1.34 C ATOM 732 CG2 VAL A 48 -4.329 8.221 -8.248 1.00 1.68 C ATOM 0 H VAL A 48 -2.003 5.079 -6.075 1.00 0.64 H new ATOM 0 HA VAL A 48 -3.960 7.165 -5.841 1.00 0.61 H new ATOM 0 HB VAL A 48 -2.342 8.096 -7.480 1.00 0.80 H new ATOM 0 HG11 VAL A 48 -2.259 7.339 -9.790 1.00 1.34 H new ATOM 0 HG12 VAL A 48 -1.495 6.228 -8.628 1.00 1.34 H new ATOM 0 HG13 VAL A 48 -3.095 5.844 -9.307 1.00 1.34 H new ATOM 0 HG21 VAL A 48 -4.068 8.814 -9.124 1.00 1.68 H new ATOM 0 HG22 VAL A 48 -5.152 7.550 -8.496 1.00 1.68 H new ATOM 0 HG23 VAL A 48 -4.633 8.884 -7.438 1.00 1.68 H new ATOM 742 N PRO A 49 -4.999 4.715 -5.750 1.00 0.62 N ATOM 743 CA PRO A 49 -6.076 3.717 -5.902 1.00 0.80 C ATOM 744 C PRO A 49 -7.329 4.269 -6.615 1.00 1.10 C ATOM 745 O PRO A 49 -7.980 3.547 -7.369 1.00 1.43 O ATOM 746 CB PRO A 49 -6.413 3.273 -4.468 1.00 0.98 C ATOM 747 CG PRO A 49 -5.973 4.455 -3.606 1.00 0.92 C ATOM 748 CD PRO A 49 -4.704 4.887 -4.334 1.00 0.67 C ATOM 0 HA PRO A 49 -5.743 2.894 -6.535 1.00 0.80 H new ATOM 0 HB2 PRO A 49 -7.477 3.068 -4.353 1.00 0.98 H new ATOM 0 HB3 PRO A 49 -5.882 2.361 -4.197 1.00 0.98 H new ATOM 0 HG2 PRO A 49 -6.722 5.246 -3.577 1.00 0.92 H new ATOM 0 HG3 PRO A 49 -5.778 4.163 -2.574 1.00 0.92 H new ATOM 0 HD2 PRO A 49 -4.453 5.923 -4.107 1.00 0.67 H new ATOM 0 HD3 PRO A 49 -3.851 4.279 -4.033 1.00 0.67 H new ATOM 756 N ASP A 50 -7.607 5.571 -6.458 1.00 1.17 N ATOM 757 CA ASP A 50 -8.687 6.310 -7.136 1.00 1.63 C ATOM 758 C ASP A 50 -8.606 6.274 -8.678 1.00 1.61 C ATOM 759 O ASP A 50 -9.626 6.422 -9.360 1.00 1.98 O ATOM 760 CB ASP A 50 -8.625 7.777 -6.683 1.00 2.20 C ATOM 761 CG ASP A 50 -8.937 7.970 -5.197 1.00 2.45 C ATOM 762 OD1 ASP A 50 -10.055 7.613 -4.757 1.00 2.52 O ATOM 763 OD2 ASP A 50 -8.078 8.522 -4.471 1.00 3.97 O ATOM 0 H ASP A 50 -7.065 6.164 -5.830 1.00 1.17 H new ATOM 0 HA ASP A 50 -9.622 5.823 -6.860 1.00 1.63 H new ATOM 0 HB2 ASP A 50 -7.631 8.172 -6.892 1.00 2.20 H new ATOM 0 HB3 ASP A 50 -9.331 8.362 -7.273 1.00 2.20 H new ATOM 768 N GLN A 51 -7.407 6.078 -9.235 1.00 1.43 N ATOM 769 CA GLN A 51 -7.144 5.906 -10.667 1.00 1.54 C ATOM 770 C GLN A 51 -7.107 4.421 -11.053 1.00 1.23 C ATOM 771 O GLN A 51 -7.570 4.060 -12.137 1.00 1.34 O ATOM 772 CB GLN A 51 -5.817 6.613 -10.988 1.00 1.81 C ATOM 773 CG GLN A 51 -5.446 6.607 -12.471 1.00 2.57 C ATOM 774 CD GLN A 51 -4.099 7.285 -12.710 1.00 3.32 C ATOM 775 OE1 GLN A 51 -3.947 8.494 -12.591 1.00 3.39 O ATOM 776 NE2 GLN A 51 -3.062 6.541 -13.021 1.00 4.47 N ATOM 0 H GLN A 51 -6.556 6.033 -8.675 1.00 1.43 H new ATOM 0 HA GLN A 51 -7.948 6.350 -11.254 1.00 1.54 H new ATOM 0 HB2 GLN A 51 -5.876 7.646 -10.644 1.00 1.81 H new ATOM 0 HB3 GLN A 51 -5.017 6.134 -10.423 1.00 1.81 H new ATOM 0 HG2 GLN A 51 -5.408 5.580 -12.834 1.00 2.57 H new ATOM 0 HG3 GLN A 51 -6.220 7.119 -13.043 1.00 2.57 H new ATOM 0 HE21 GLN A 51 -3.171 5.532 -13.124 1.00 4.47 H new ATOM 0 HE22 GLN A 51 -2.148 6.972 -13.159 1.00 4.47 H new ATOM 785 N MET A 52 -6.602 3.558 -10.164 1.00 0.92 N ATOM 786 CA MET A 52 -6.458 2.125 -10.425 1.00 0.80 C ATOM 787 C MET A 52 -7.801 1.377 -10.471 1.00 0.72 C ATOM 788 O MET A 52 -8.038 0.640 -11.419 1.00 0.75 O ATOM 789 CB MET A 52 -5.475 1.510 -9.416 1.00 0.70 C ATOM 790 CG MET A 52 -5.230 0.043 -9.778 1.00 1.70 C ATOM 791 SD MET A 52 -3.851 -0.791 -8.956 1.00 2.66 S ATOM 792 CE MET A 52 -2.447 -0.118 -9.875 1.00 1.15 C ATOM 0 H MET A 52 -6.280 3.838 -9.238 1.00 0.92 H new ATOM 0 HA MET A 52 -6.045 2.010 -11.427 1.00 0.80 H new ATOM 0 HB2 MET A 52 -4.534 2.061 -9.425 1.00 0.70 H new ATOM 0 HB3 MET A 52 -5.878 1.585 -8.406 1.00 0.70 H new ATOM 0 HG2 MET A 52 -6.141 -0.515 -9.561 1.00 1.70 H new ATOM 0 HG3 MET A 52 -5.068 -0.017 -10.854 1.00 1.70 H new ATOM 0 HE1 MET A 52 -1.521 -0.539 -9.484 1.00 1.15 H new ATOM 0 HE2 MET A 52 -2.545 -0.375 -10.930 1.00 1.15 H new ATOM 0 HE3 MET A 52 -2.427 0.966 -9.766 1.00 1.15 H new ATOM 802 N LEU A 53 -8.727 1.589 -9.528 1.00 0.70 N ATOM 803 CA LEU A 53 -10.043 0.933 -9.602 1.00 0.77 C ATOM 804 C LEU A 53 -10.961 1.574 -10.671 1.00 0.84 C ATOM 805 O LEU A 53 -11.896 0.934 -11.156 1.00 0.78 O ATOM 806 CB LEU A 53 -10.638 0.850 -8.185 1.00 0.83 C ATOM 807 CG LEU A 53 -11.859 -0.083 -8.049 1.00 1.48 C ATOM 808 CD1 LEU A 53 -11.585 -1.545 -8.432 1.00 2.74 C ATOM 809 CD2 LEU A 53 -12.348 -0.072 -6.598 1.00 1.85 C ATOM 0 H LEU A 53 -8.597 2.197 -8.719 1.00 0.70 H new ATOM 0 HA LEU A 53 -9.934 -0.091 -9.958 1.00 0.77 H new ATOM 0 HB2 LEU A 53 -9.861 0.511 -7.499 1.00 0.83 H new ATOM 0 HB3 LEU A 53 -10.927 1.852 -7.868 1.00 0.83 H new ATOM 0 HG LEU A 53 -12.602 0.305 -8.746 1.00 1.48 H new ATOM 0 HD11 LEU A 53 -12.496 -2.131 -8.307 1.00 2.74 H new ATOM 0 HD12 LEU A 53 -11.261 -1.594 -9.472 1.00 2.74 H new ATOM 0 HD13 LEU A 53 -10.803 -1.949 -7.789 1.00 2.74 H new ATOM 0 HD21 LEU A 53 -13.211 -0.731 -6.500 1.00 1.85 H new ATOM 0 HD22 LEU A 53 -11.550 -0.420 -5.942 1.00 1.85 H new ATOM 0 HD23 LEU A 53 -12.632 0.942 -6.317 1.00 1.85 H new ATOM 821 N ALA A 54 -10.659 2.803 -11.118 1.00 1.05 N ATOM 822 CA ALA A 54 -11.220 3.386 -12.344 1.00 1.34 C ATOM 823 C ALA A 54 -10.656 2.721 -13.621 1.00 1.49 C ATOM 824 O ALA A 54 -11.394 2.476 -14.573 1.00 1.72 O ATOM 825 CB ALA A 54 -10.992 4.902 -12.324 1.00 1.61 C ATOM 0 H ALA A 54 -10.012 3.425 -10.633 1.00 1.05 H new ATOM 0 HA ALA A 54 -12.292 3.192 -12.370 1.00 1.34 H new ATOM 0 HB1 ALA A 54 -11.405 5.344 -13.231 1.00 1.61 H new ATOM 0 HB2 ALA A 54 -11.485 5.333 -11.453 1.00 1.61 H new ATOM 0 HB3 ALA A 54 -9.923 5.109 -12.274 1.00 1.61 H new ATOM 831 N GLU A 55 -9.379 2.310 -13.612 1.00 1.46 N ATOM 832 CA GLU A 55 -8.762 1.411 -14.605 1.00 1.77 C ATOM 833 C GLU A 55 -9.296 -0.034 -14.521 1.00 1.70 C ATOM 834 O GLU A 55 -8.891 -0.891 -15.310 1.00 2.27 O ATOM 835 CB GLU A 55 -7.230 1.432 -14.385 1.00 2.01 C ATOM 836 CG GLU A 55 -6.385 1.033 -15.594 1.00 2.08 C ATOM 837 CD GLU A 55 -6.639 1.965 -16.766 1.00 2.53 C ATOM 838 OE1 GLU A 55 -6.428 3.190 -16.601 1.00 2.75 O ATOM 839 OE2 GLU A 55 -7.093 1.488 -17.833 1.00 3.84 O ATOM 0 H GLU A 55 -8.723 2.604 -12.889 1.00 1.46 H new ATOM 0 HA GLU A 55 -9.020 1.770 -15.601 1.00 1.77 H new ATOM 0 HB2 GLU A 55 -6.939 2.436 -14.076 1.00 2.01 H new ATOM 0 HB3 GLU A 55 -6.990 0.762 -13.559 1.00 2.01 H new ATOM 0 HG2 GLU A 55 -5.328 1.057 -15.328 1.00 2.08 H new ATOM 0 HG3 GLU A 55 -6.618 0.008 -15.883 1.00 2.08 H new ATOM 846 N LYS A 56 -10.196 -0.304 -13.564 1.00 1.24 N ATOM 847 CA LYS A 56 -10.603 -1.613 -13.035 1.00 1.39 C ATOM 848 C LYS A 56 -9.449 -2.336 -12.334 1.00 1.99 C ATOM 849 O LYS A 56 -9.543 -2.563 -11.135 1.00 3.90 O ATOM 850 CB LYS A 56 -11.313 -2.464 -14.105 1.00 1.87 C ATOM 851 CG LYS A 56 -12.548 -1.772 -14.715 1.00 2.37 C ATOM 852 CD LYS A 56 -13.126 -2.572 -15.892 1.00 3.22 C ATOM 853 CE LYS A 56 -12.204 -2.566 -17.120 1.00 5.12 C ATOM 854 NZ LYS A 56 -12.305 -1.313 -17.907 1.00 5.72 N ATOM 0 H LYS A 56 -10.700 0.452 -13.101 1.00 1.24 H new ATOM 0 HA LYS A 56 -11.346 -1.439 -12.257 1.00 1.39 H new ATOM 0 HB2 LYS A 56 -10.606 -2.698 -14.901 1.00 1.87 H new ATOM 0 HB3 LYS A 56 -11.618 -3.412 -13.662 1.00 1.87 H new ATOM 0 HG2 LYS A 56 -13.313 -1.650 -13.948 1.00 2.37 H new ATOM 0 HG3 LYS A 56 -12.275 -0.773 -15.054 1.00 2.37 H new ATOM 0 HD2 LYS A 56 -13.299 -3.601 -15.577 1.00 3.22 H new ATOM 0 HD3 LYS A 56 -14.095 -2.156 -16.168 1.00 3.22 H new ATOM 0 HE2 LYS A 56 -11.173 -2.704 -16.795 1.00 5.12 H new ATOM 0 HE3 LYS A 56 -12.453 -3.413 -17.760 1.00 5.12 H new ATOM 0 HZ1 LYS A 56 -11.662 -1.363 -18.723 1.00 5.72 H new ATOM 0 HZ2 LYS A 56 -13.282 -1.192 -18.242 1.00 5.72 H new ATOM 0 HZ3 LYS A 56 -12.042 -0.505 -17.308 1.00 5.72 H new ATOM 868 N ASP A 57 -8.391 -2.639 -13.087 1.00 1.31 N ATOM 869 CA ASP A 57 -7.155 -3.338 -12.712 1.00 1.34 C ATOM 870 C ASP A 57 -7.435 -4.663 -11.986 1.00 1.37 C ATOM 871 O ASP A 57 -7.704 -4.672 -10.787 1.00 1.39 O ATOM 872 CB ASP A 57 -6.199 -2.405 -11.953 1.00 1.31 C ATOM 873 CG ASP A 57 -4.748 -2.814 -12.191 1.00 1.42 C ATOM 874 OD1 ASP A 57 -4.280 -3.820 -11.610 1.00 2.78 O ATOM 875 OD2 ASP A 57 -4.105 -2.165 -13.053 1.00 1.66 O ATOM 0 H ASP A 57 -8.374 -2.376 -14.072 1.00 1.31 H new ATOM 0 HA ASP A 57 -6.638 -3.623 -13.628 1.00 1.34 H new ATOM 0 HB2 ASP A 57 -6.351 -1.376 -12.279 1.00 1.31 H new ATOM 0 HB3 ASP A 57 -6.421 -2.437 -10.886 1.00 1.31 H new ATOM 880 N PRO A 58 -7.429 -5.807 -12.690 1.00 1.43 N ATOM 881 CA PRO A 58 -8.014 -7.047 -12.176 1.00 1.60 C ATOM 882 C PRO A 58 -7.425 -7.515 -10.839 1.00 1.58 C ATOM 883 O PRO A 58 -8.165 -8.005 -9.986 1.00 2.21 O ATOM 884 CB PRO A 58 -7.807 -8.064 -13.298 1.00 1.92 C ATOM 885 CG PRO A 58 -6.666 -7.497 -14.143 1.00 1.69 C ATOM 886 CD PRO A 58 -6.918 -6.001 -14.038 1.00 1.48 C ATOM 0 HA PRO A 58 -9.067 -6.905 -11.931 1.00 1.60 H new ATOM 0 HB2 PRO A 58 -7.552 -9.045 -12.898 1.00 1.92 H new ATOM 0 HB3 PRO A 58 -8.713 -8.187 -13.891 1.00 1.92 H new ATOM 0 HG2 PRO A 58 -5.688 -7.776 -13.750 1.00 1.69 H new ATOM 0 HG3 PRO A 58 -6.707 -7.848 -15.174 1.00 1.69 H new ATOM 0 HD2 PRO A 58 -6.002 -5.433 -14.200 1.00 1.48 H new ATOM 0 HD3 PRO A 58 -7.637 -5.667 -14.786 1.00 1.48 H new ATOM 894 N LEU A 59 -6.130 -7.293 -10.610 1.00 1.20 N ATOM 895 CA LEU A 59 -5.485 -7.526 -9.311 1.00 1.13 C ATOM 896 C LEU A 59 -6.047 -6.638 -8.184 1.00 0.98 C ATOM 897 O LEU A 59 -6.224 -7.125 -7.066 1.00 1.12 O ATOM 898 CB LEU A 59 -3.968 -7.341 -9.473 1.00 1.13 C ATOM 899 CG LEU A 59 -3.121 -7.631 -8.221 1.00 1.28 C ATOM 900 CD1 LEU A 59 -3.353 -9.039 -7.672 1.00 1.48 C ATOM 901 CD2 LEU A 59 -1.646 -7.523 -8.596 1.00 1.93 C ATOM 0 H LEU A 59 -5.492 -6.944 -11.325 1.00 1.20 H new ATOM 0 HA LEU A 59 -5.704 -8.548 -9.002 1.00 1.13 H new ATOM 0 HB2 LEU A 59 -3.626 -7.990 -10.279 1.00 1.13 H new ATOM 0 HB3 LEU A 59 -3.778 -6.315 -9.788 1.00 1.13 H new ATOM 0 HG LEU A 59 -3.410 -6.909 -7.457 1.00 1.28 H new ATOM 0 HD11 LEU A 59 -2.732 -9.192 -6.790 1.00 1.48 H new ATOM 0 HD12 LEU A 59 -4.403 -9.156 -7.402 1.00 1.48 H new ATOM 0 HD13 LEU A 59 -3.090 -9.774 -8.433 1.00 1.48 H new ATOM 0 HD21 LEU A 59 -1.032 -7.726 -7.719 1.00 1.93 H new ATOM 0 HD22 LEU A 59 -1.415 -8.248 -9.376 1.00 1.93 H new ATOM 0 HD23 LEU A 59 -1.436 -6.518 -8.961 1.00 1.93 H new ATOM 913 N ALA A 60 -6.393 -5.378 -8.460 1.00 0.80 N ATOM 914 CA ALA A 60 -7.075 -4.509 -7.499 1.00 0.67 C ATOM 915 C ALA A 60 -8.528 -4.946 -7.256 1.00 0.75 C ATOM 916 O ALA A 60 -8.959 -5.004 -6.104 1.00 0.72 O ATOM 917 CB ALA A 60 -7.036 -3.056 -7.969 1.00 0.65 C ATOM 0 H ALA A 60 -6.208 -4.931 -9.358 1.00 0.80 H new ATOM 0 HA ALA A 60 -6.541 -4.595 -6.552 1.00 0.67 H new ATOM 0 HB1 ALA A 60 -7.548 -2.425 -7.242 1.00 0.65 H new ATOM 0 HB2 ALA A 60 -6.000 -2.732 -8.065 1.00 0.65 H new ATOM 0 HB3 ALA A 60 -7.533 -2.973 -8.936 1.00 0.65 H new ATOM 923 N MET A 61 -9.271 -5.319 -8.310 1.00 0.94 N ATOM 924 CA MET A 61 -10.623 -5.881 -8.169 1.00 1.18 C ATOM 925 C MET A 61 -10.624 -7.124 -7.263 1.00 1.31 C ATOM 926 O MET A 61 -11.530 -7.307 -6.454 1.00 1.54 O ATOM 927 CB MET A 61 -11.225 -6.275 -9.523 1.00 1.57 C ATOM 928 CG MET A 61 -11.116 -5.228 -10.629 1.00 1.48 C ATOM 929 SD MET A 61 -11.965 -5.712 -12.154 1.00 3.63 S ATOM 930 CE MET A 61 -13.665 -5.435 -11.602 1.00 2.78 C ATOM 0 H MET A 61 -8.954 -5.240 -9.276 1.00 0.94 H new ATOM 0 HA MET A 61 -11.229 -5.094 -7.720 1.00 1.18 H new ATOM 0 HB2 MET A 61 -10.738 -7.188 -9.864 1.00 1.57 H new ATOM 0 HB3 MET A 61 -12.279 -6.512 -9.376 1.00 1.57 H new ATOM 0 HG2 MET A 61 -11.533 -4.286 -10.272 1.00 1.48 H new ATOM 0 HG3 MET A 61 -10.063 -5.048 -10.848 1.00 1.48 H new ATOM 0 HE1 MET A 61 -14.218 -6.373 -11.643 1.00 2.78 H new ATOM 0 HE2 MET A 61 -13.659 -5.062 -10.578 1.00 2.78 H new ATOM 0 HE3 MET A 61 -14.144 -4.702 -12.252 1.00 2.78 H new ATOM 940 N LEU A 62 -9.599 -7.971 -7.378 1.00 1.27 N ATOM 941 CA LEU A 62 -9.357 -9.110 -6.490 1.00 1.45 C ATOM 942 C LEU A 62 -8.989 -8.684 -5.067 1.00 1.34 C ATOM 943 O LEU A 62 -9.508 -9.258 -4.108 1.00 1.56 O ATOM 944 CB LEU A 62 -8.198 -9.941 -7.063 1.00 1.61 C ATOM 945 CG LEU A 62 -8.628 -11.243 -7.763 1.00 1.65 C ATOM 946 CD1 LEU A 62 -9.511 -11.006 -8.988 1.00 1.93 C ATOM 947 CD2 LEU A 62 -7.390 -12.021 -8.205 1.00 2.68 C ATOM 0 H LEU A 62 -8.895 -7.881 -8.111 1.00 1.27 H new ATOM 0 HA LEU A 62 -10.282 -9.685 -6.435 1.00 1.45 H new ATOM 0 HB2 LEU A 62 -7.645 -9.327 -7.774 1.00 1.61 H new ATOM 0 HB3 LEU A 62 -7.511 -10.189 -6.254 1.00 1.61 H new ATOM 0 HG LEU A 62 -9.214 -11.805 -7.036 1.00 1.65 H new ATOM 0 HD11 LEU A 62 -9.779 -11.964 -9.434 1.00 1.93 H new ATOM 0 HD12 LEU A 62 -10.417 -10.480 -8.687 1.00 1.93 H new ATOM 0 HD13 LEU A 62 -8.968 -10.405 -9.717 1.00 1.93 H new ATOM 0 HD21 LEU A 62 -7.697 -12.942 -8.700 1.00 2.68 H new ATOM 0 HD22 LEU A 62 -6.807 -11.414 -8.897 1.00 2.68 H new ATOM 0 HD23 LEU A 62 -6.782 -12.263 -7.333 1.00 2.68 H new ATOM 959 N LEU A 63 -8.062 -7.732 -4.917 1.00 1.10 N ATOM 960 CA LEU A 63 -7.503 -7.359 -3.622 1.00 1.13 C ATOM 961 C LEU A 63 -8.588 -6.727 -2.756 1.00 0.98 C ATOM 962 O LEU A 63 -8.771 -7.101 -1.599 1.00 1.08 O ATOM 963 CB LEU A 63 -6.297 -6.431 -3.902 1.00 1.16 C ATOM 964 CG LEU A 63 -5.460 -5.915 -2.721 1.00 1.54 C ATOM 965 CD1 LEU A 63 -6.179 -4.840 -1.906 1.00 2.70 C ATOM 966 CD2 LEU A 63 -5.019 -7.052 -1.804 1.00 2.39 C ATOM 0 H LEU A 63 -7.679 -7.198 -5.697 1.00 1.10 H new ATOM 0 HA LEU A 63 -7.146 -8.218 -3.055 1.00 1.13 H new ATOM 0 HB2 LEU A 63 -5.623 -6.962 -4.575 1.00 1.16 H new ATOM 0 HB3 LEU A 63 -6.670 -5.562 -4.444 1.00 1.16 H new ATOM 0 HG LEU A 63 -4.577 -5.456 -3.166 1.00 1.54 H new ATOM 0 HD11 LEU A 63 -5.538 -4.515 -1.086 1.00 2.70 H new ATOM 0 HD12 LEU A 63 -6.407 -3.989 -2.548 1.00 2.70 H new ATOM 0 HD13 LEU A 63 -7.105 -5.248 -1.502 1.00 2.70 H new ATOM 0 HD21 LEU A 63 -4.430 -6.648 -0.981 1.00 2.39 H new ATOM 0 HD22 LEU A 63 -5.897 -7.560 -1.406 1.00 2.39 H new ATOM 0 HD23 LEU A 63 -4.414 -7.761 -2.369 1.00 2.39 H new ATOM 978 N PHE A 64 -9.351 -5.808 -3.342 1.00 0.80 N ATOM 979 CA PHE A 64 -10.296 -5.000 -2.566 1.00 0.75 C ATOM 980 C PHE A 64 -11.538 -5.803 -2.164 1.00 0.81 C ATOM 981 O PHE A 64 -11.914 -5.806 -0.992 1.00 0.96 O ATOM 982 CB PHE A 64 -10.555 -3.642 -3.246 1.00 0.69 C ATOM 983 CG PHE A 64 -11.960 -3.390 -3.751 1.00 0.68 C ATOM 984 CD1 PHE A 64 -12.346 -3.831 -5.029 1.00 1.86 C ATOM 985 CD2 PHE A 64 -12.874 -2.675 -2.952 1.00 2.08 C ATOM 986 CE1 PHE A 64 -13.636 -3.551 -5.512 1.00 1.88 C ATOM 987 CE2 PHE A 64 -14.160 -2.388 -3.439 1.00 2.10 C ATOM 988 CZ PHE A 64 -14.542 -2.823 -4.719 1.00 0.79 C ATOM 0 H PHE A 64 -9.337 -5.603 -4.341 1.00 0.80 H new ATOM 0 HA PHE A 64 -9.845 -4.738 -1.609 1.00 0.75 H new ATOM 0 HB2 PHE A 64 -10.302 -2.853 -2.538 1.00 0.69 H new ATOM 0 HB3 PHE A 64 -9.869 -3.547 -4.088 1.00 0.69 H new ATOM 0 HD1 PHE A 64 -11.650 -4.386 -5.641 1.00 1.86 H new ATOM 0 HD2 PHE A 64 -12.586 -2.347 -1.964 1.00 2.08 H new ATOM 0 HE1 PHE A 64 -13.932 -3.895 -6.492 1.00 1.88 H new ATOM 0 HE2 PHE A 64 -14.856 -1.832 -2.828 1.00 2.10 H new ATOM 0 HZ PHE A 64 -15.530 -2.599 -5.094 1.00 0.79 H new ATOM 998 N GLU A 65 -12.106 -6.604 -3.072 1.00 0.80 N ATOM 999 CA GLU A 65 -13.247 -7.471 -2.745 1.00 0.92 C ATOM 1000 C GLU A 65 -12.907 -8.586 -1.733 1.00 1.00 C ATOM 1001 O GLU A 65 -13.824 -9.165 -1.142 1.00 1.16 O ATOM 1002 CB GLU A 65 -13.885 -8.048 -4.018 1.00 1.04 C ATOM 1003 CG GLU A 65 -14.496 -6.965 -4.925 1.00 1.63 C ATOM 1004 CD GLU A 65 -15.499 -7.543 -5.934 1.00 1.86 C ATOM 1005 OE1 GLU A 65 -15.188 -8.559 -6.604 1.00 2.60 O ATOM 1006 OE2 GLU A 65 -16.632 -7.010 -6.048 1.00 2.56 O ATOM 0 H GLU A 65 -11.795 -6.671 -4.041 1.00 0.80 H new ATOM 0 HA GLU A 65 -13.977 -6.833 -2.248 1.00 0.92 H new ATOM 0 HB2 GLU A 65 -13.131 -8.601 -4.578 1.00 1.04 H new ATOM 0 HB3 GLU A 65 -14.661 -8.761 -3.739 1.00 1.04 H new ATOM 0 HG2 GLU A 65 -14.995 -6.218 -4.308 1.00 1.63 H new ATOM 0 HG3 GLU A 65 -13.698 -6.453 -5.463 1.00 1.63 H new ATOM 1013 N GLN A 66 -11.620 -8.872 -1.481 1.00 1.07 N ATOM 1014 CA GLN A 66 -11.181 -9.903 -0.531 1.00 1.19 C ATOM 1015 C GLN A 66 -10.475 -9.381 0.736 1.00 1.34 C ATOM 1016 O GLN A 66 -10.146 -10.187 1.604 1.00 1.77 O ATOM 1017 CB GLN A 66 -10.333 -10.951 -1.277 1.00 1.23 C ATOM 1018 CG GLN A 66 -11.102 -11.767 -2.335 1.00 1.86 C ATOM 1019 CD GLN A 66 -11.945 -12.886 -1.723 1.00 2.72 C ATOM 1020 OE1 GLN A 66 -12.946 -12.662 -1.051 1.00 3.63 O ATOM 1021 NE2 GLN A 66 -11.586 -14.138 -1.917 1.00 3.59 N ATOM 0 H GLN A 66 -10.847 -8.387 -1.937 1.00 1.07 H new ATOM 0 HA GLN A 66 -12.087 -10.363 -0.137 1.00 1.19 H new ATOM 0 HB2 GLN A 66 -9.500 -10.444 -1.764 1.00 1.23 H new ATOM 0 HB3 GLN A 66 -9.906 -11.639 -0.547 1.00 1.23 H new ATOM 0 HG2 GLN A 66 -11.750 -11.099 -2.902 1.00 1.86 H new ATOM 0 HG3 GLN A 66 -10.392 -12.198 -3.041 1.00 1.86 H new ATOM 0 HE21 GLN A 66 -10.757 -14.351 -2.472 1.00 3.59 H new ATOM 0 HE22 GLN A 66 -12.137 -14.895 -1.512 1.00 3.59 H new ATOM 1030 N TYR A 67 -10.286 -8.067 0.894 1.00 1.18 N ATOM 1031 CA TYR A 67 -9.813 -7.423 2.136 1.00 1.44 C ATOM 1032 C TYR A 67 -10.903 -6.503 2.733 1.00 1.67 C ATOM 1033 O TYR A 67 -10.684 -5.321 2.996 1.00 2.06 O ATOM 1034 CB TYR A 67 -8.448 -6.735 1.913 1.00 1.43 C ATOM 1035 CG TYR A 67 -7.219 -7.640 1.957 1.00 1.44 C ATOM 1036 CD1 TYR A 67 -6.955 -8.549 0.913 1.00 1.80 C ATOM 1037 CD2 TYR A 67 -6.299 -7.530 3.022 1.00 2.59 C ATOM 1038 CE1 TYR A 67 -5.775 -9.319 0.918 1.00 1.83 C ATOM 1039 CE2 TYR A 67 -5.114 -8.296 3.032 1.00 2.75 C ATOM 1040 CZ TYR A 67 -4.844 -9.185 1.970 1.00 1.74 C ATOM 1041 OH TYR A 67 -3.703 -9.932 1.958 1.00 1.95 O ATOM 0 H TYR A 67 -10.461 -7.398 0.144 1.00 1.18 H new ATOM 0 HA TYR A 67 -9.634 -8.186 2.893 1.00 1.44 H new ATOM 0 HB2 TYR A 67 -8.471 -6.236 0.944 1.00 1.43 H new ATOM 0 HB3 TYR A 67 -8.329 -5.959 2.669 1.00 1.43 H new ATOM 0 HD1 TYR A 67 -7.662 -8.656 0.104 1.00 1.80 H new ATOM 0 HD2 TYR A 67 -6.504 -6.853 3.838 1.00 2.59 H new ATOM 0 HE1 TYR A 67 -5.582 -10.014 0.114 1.00 1.83 H new ATOM 0 HE2 TYR A 67 -4.416 -8.202 3.850 1.00 2.75 H new ATOM 0 HH TYR A 67 -3.167 -9.723 2.751 1.00 1.95 H new ATOM 1051 N ASN A 68 -12.114 -7.050 2.912 1.00 1.69 N ATOM 1052 CA ASN A 68 -13.310 -6.386 3.458 1.00 1.93 C ATOM 1053 C ASN A 68 -13.765 -5.094 2.725 1.00 1.87 C ATOM 1054 O ASN A 68 -14.475 -4.266 3.299 1.00 1.91 O ATOM 1055 CB ASN A 68 -13.189 -6.256 4.992 1.00 2.26 C ATOM 1056 CG ASN A 68 -14.518 -6.051 5.710 1.00 2.71 C ATOM 1057 OD1 ASN A 68 -15.602 -6.400 5.248 1.00 3.01 O ATOM 1058 ND2 ASN A 68 -14.488 -5.536 6.914 1.00 3.12 N ATOM 0 H ASN A 68 -12.297 -8.023 2.666 1.00 1.69 H new ATOM 0 HA ASN A 68 -14.154 -7.043 3.245 1.00 1.93 H new ATOM 0 HB2 ASN A 68 -12.712 -7.154 5.385 1.00 2.26 H new ATOM 0 HB3 ASN A 68 -12.531 -5.418 5.223 1.00 2.26 H new ATOM 0 HD21 ASN A 68 -15.352 -5.432 7.446 1.00 3.12 H new ATOM 0 HD22 ASN A 68 -13.601 -5.239 7.320 1.00 3.12 H new ATOM 1065 N ARG A 69 -13.422 -4.965 1.433 1.00 1.77 N ATOM 1066 CA ARG A 69 -14.136 -4.144 0.431 1.00 1.42 C ATOM 1067 C ARG A 69 -14.442 -2.680 0.821 1.00 1.07 C ATOM 1068 O ARG A 69 -15.596 -2.255 0.749 1.00 1.60 O ATOM 1069 CB ARG A 69 -15.358 -4.955 -0.056 1.00 1.75 C ATOM 1070 CG ARG A 69 -15.808 -4.570 -1.470 1.00 1.82 C ATOM 1071 CD ARG A 69 -17.032 -5.391 -1.894 1.00 1.82 C ATOM 1072 NE ARG A 69 -17.362 -5.198 -3.315 1.00 2.59 N ATOM 1073 CZ ARG A 69 -17.968 -4.125 -3.855 1.00 3.20 C ATOM 1074 NH1 ARG A 69 -18.355 -3.076 -3.112 1.00 3.70 N ATOM 1075 NH2 ARG A 69 -18.197 -4.107 -5.177 1.00 4.53 N ATOM 0 H ARG A 69 -12.612 -5.445 1.040 1.00 1.77 H new ATOM 0 HA ARG A 69 -13.453 -3.965 -0.399 1.00 1.42 H new ATOM 0 HB2 ARG A 69 -15.114 -6.017 -0.035 1.00 1.75 H new ATOM 0 HB3 ARG A 69 -16.186 -4.805 0.636 1.00 1.75 H new ATOM 0 HG2 ARG A 69 -16.048 -3.507 -1.503 1.00 1.82 H new ATOM 0 HG3 ARG A 69 -14.992 -4.735 -2.174 1.00 1.82 H new ATOM 0 HD2 ARG A 69 -16.842 -6.448 -1.707 1.00 1.82 H new ATOM 0 HD3 ARG A 69 -17.888 -5.108 -1.282 1.00 1.82 H new ATOM 0 HE ARG A 69 -17.106 -5.952 -3.953 1.00 2.59 H new ATOM 0 HH11 ARG A 69 -18.192 -3.076 -2.105 1.00 3.70 H new ATOM 0 HH12 ARG A 69 -18.812 -2.279 -3.554 1.00 3.70 H new ATOM 0 HH21 ARG A 69 -17.913 -4.898 -5.755 1.00 4.53 H new ATOM 0 HH22 ARG A 69 -18.655 -3.302 -5.604 1.00 4.53 H new ATOM 1089 N LEU A 70 -13.435 -1.879 1.197 1.00 1.16 N ATOM 1090 CA LEU A 70 -13.625 -0.443 1.520 1.00 1.20 C ATOM 1091 C LEU A 70 -13.318 0.525 0.363 1.00 1.39 C ATOM 1092 O LEU A 70 -13.897 1.613 0.331 1.00 2.56 O ATOM 1093 CB LEU A 70 -12.807 -0.031 2.758 1.00 1.84 C ATOM 1094 CG LEU A 70 -13.128 -0.750 4.080 1.00 1.00 C ATOM 1095 CD1 LEU A 70 -12.456 0.008 5.228 1.00 2.10 C ATOM 1096 CD2 LEU A 70 -14.621 -0.825 4.404 1.00 2.65 C ATOM 0 H LEU A 70 -12.470 -2.197 1.288 1.00 1.16 H new ATOM 0 HA LEU A 70 -14.692 -0.354 1.725 1.00 1.20 H new ATOM 0 HB2 LEU A 70 -11.752 -0.189 2.534 1.00 1.84 H new ATOM 0 HB3 LEU A 70 -12.943 1.039 2.913 1.00 1.84 H new ATOM 0 HG LEU A 70 -12.761 -1.770 3.966 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -12.676 -0.491 6.172 1.00 2.10 H new ATOM 0 HD12 LEU A 70 -11.378 0.027 5.070 1.00 2.10 H new ATOM 0 HD13 LEU A 70 -12.836 1.029 5.261 1.00 2.10 H new ATOM 0 HD21 LEU A 70 -14.762 -1.346 5.351 1.00 2.65 H new ATOM 0 HD22 LEU A 70 -15.028 0.183 4.481 1.00 2.65 H new ATOM 0 HD23 LEU A 70 -15.139 -1.366 3.612 1.00 2.65 H new ATOM 1108 N ALA A 71 -12.424 0.154 -0.560 1.00 0.99 N ATOM 1109 CA ALA A 71 -11.914 1.004 -1.645 1.00 1.14 C ATOM 1110 C ALA A 71 -11.362 2.352 -1.132 1.00 1.64 C ATOM 1111 O ALA A 71 -11.998 3.401 -1.275 1.00 3.00 O ATOM 1112 CB ALA A 71 -12.972 1.147 -2.752 1.00 1.34 C ATOM 0 H ALA A 71 -12.019 -0.782 -0.574 1.00 0.99 H new ATOM 0 HA ALA A 71 -11.051 0.510 -2.092 1.00 1.14 H new ATOM 0 HB1 ALA A 71 -12.581 1.779 -3.549 1.00 1.34 H new ATOM 0 HB2 ALA A 71 -13.213 0.163 -3.154 1.00 1.34 H new ATOM 0 HB3 ALA A 71 -13.873 1.600 -2.338 1.00 1.34 H new ATOM 1118 N MET A 72 -10.191 2.313 -0.488 1.00 0.83 N ATOM 1119 CA MET A 72 -9.549 3.460 0.170 1.00 1.10 C ATOM 1120 C MET A 72 -9.241 4.660 -0.767 1.00 0.98 C ATOM 1121 O MET A 72 -8.961 4.466 -1.957 1.00 0.76 O ATOM 1122 CB MET A 72 -8.281 2.967 0.898 1.00 1.34 C ATOM 1123 CG MET A 72 -7.166 2.547 -0.069 1.00 1.17 C ATOM 1124 SD MET A 72 -5.716 1.788 0.718 1.00 1.04 S ATOM 1125 CE MET A 72 -4.640 1.767 -0.742 1.00 1.26 C ATOM 0 H MET A 72 -9.645 1.455 -0.407 1.00 0.83 H new ATOM 0 HA MET A 72 -10.268 3.863 0.883 1.00 1.10 H new ATOM 0 HB2 MET A 72 -7.911 3.758 1.550 1.00 1.34 H new ATOM 0 HB3 MET A 72 -8.539 2.122 1.537 1.00 1.34 H new ATOM 0 HG2 MET A 72 -7.578 1.843 -0.792 1.00 1.17 H new ATOM 0 HG3 MET A 72 -6.840 3.424 -0.628 1.00 1.17 H new ATOM 0 HE1 MET A 72 -4.027 0.866 -0.730 1.00 1.26 H new ATOM 0 HE2 MET A 72 -5.251 1.778 -1.645 1.00 1.26 H new ATOM 0 HE3 MET A 72 -3.994 2.645 -0.731 1.00 1.26 H new ATOM 1135 N PRO A 73 -9.231 5.907 -0.251 1.00 1.19 N ATOM 1136 CA PRO A 73 -8.736 7.083 -0.973 1.00 1.09 C ATOM 1137 C PRO A 73 -7.199 7.088 -1.063 1.00 0.89 C ATOM 1138 O PRO A 73 -6.516 6.421 -0.284 1.00 0.93 O ATOM 1139 CB PRO A 73 -9.255 8.278 -0.165 1.00 1.31 C ATOM 1140 CG PRO A 73 -9.233 7.753 1.267 1.00 1.41 C ATOM 1141 CD PRO A 73 -9.639 6.290 1.096 1.00 1.46 C ATOM 0 HA PRO A 73 -9.082 7.104 -2.006 1.00 1.09 H new ATOM 0 HB2 PRO A 73 -8.618 9.154 -0.284 1.00 1.31 H new ATOM 0 HB3 PRO A 73 -10.259 8.569 -0.474 1.00 1.31 H new ATOM 0 HG2 PRO A 73 -8.245 7.849 1.718 1.00 1.41 H new ATOM 0 HG3 PRO A 73 -9.930 8.294 1.907 1.00 1.41 H new ATOM 0 HD2 PRO A 73 -9.153 5.662 1.843 1.00 1.46 H new ATOM 0 HD3 PRO A 73 -10.714 6.167 1.226 1.00 1.46 H new ATOM 1149 N ASN A 74 -6.624 7.864 -1.991 1.00 0.93 N ATOM 1150 CA ASN A 74 -5.166 7.922 -2.167 1.00 1.19 C ATOM 1151 C ASN A 74 -4.400 8.754 -1.119 1.00 1.54 C ATOM 1152 O ASN A 74 -3.199 8.534 -0.940 1.00 3.46 O ATOM 1153 CB ASN A 74 -4.825 8.347 -3.602 1.00 1.48 C ATOM 1154 CG ASN A 74 -4.871 9.832 -3.875 1.00 1.38 C ATOM 1155 OD1 ASN A 74 -3.940 10.564 -3.578 1.00 1.51 O ATOM 1156 ND2 ASN A 74 -5.916 10.303 -4.497 1.00 2.71 N ATOM 0 H ASN A 74 -7.146 8.461 -2.632 1.00 0.93 H new ATOM 0 HA ASN A 74 -4.809 6.907 -1.990 1.00 1.19 H new ATOM 0 HB2 ASN A 74 -3.826 7.983 -3.841 1.00 1.48 H new ATOM 0 HB3 ASN A 74 -5.516 7.850 -4.282 1.00 1.48 H new ATOM 0 HD21 ASN A 74 -5.962 11.292 -4.740 1.00 2.71 H new ATOM 0 HD22 ASN A 74 -6.688 9.682 -4.740 1.00 2.71 H new ATOM 1163 N MET A 75 -5.074 9.684 -0.435 1.00 1.21 N ATOM 1164 CA MET A 75 -4.566 10.535 0.655 1.00 1.22 C ATOM 1165 C MET A 75 -3.403 11.487 0.298 1.00 1.14 C ATOM 1166 O MET A 75 -2.842 12.122 1.197 1.00 1.73 O ATOM 1167 CB MET A 75 -4.300 9.704 1.926 1.00 1.49 C ATOM 1168 CG MET A 75 -5.496 8.823 2.314 1.00 1.88 C ATOM 1169 SD MET A 75 -5.340 7.978 3.908 1.00 2.15 S ATOM 1170 CE MET A 75 -5.764 9.334 5.033 1.00 3.02 C ATOM 0 H MET A 75 -6.054 9.878 -0.639 1.00 1.21 H new ATOM 0 HA MET A 75 -5.377 11.234 0.860 1.00 1.22 H new ATOM 0 HB2 MET A 75 -3.425 9.074 1.767 1.00 1.49 H new ATOM 0 HB3 MET A 75 -4.064 10.375 2.752 1.00 1.49 H new ATOM 0 HG2 MET A 75 -6.393 9.442 2.335 1.00 1.88 H new ATOM 0 HG3 MET A 75 -5.644 8.074 1.536 1.00 1.88 H new ATOM 0 HE1 MET A 75 -5.716 8.981 6.063 1.00 3.02 H new ATOM 0 HE2 MET A 75 -5.058 10.154 4.897 1.00 3.02 H new ATOM 0 HE3 MET A 75 -6.773 9.684 4.816 1.00 3.02 H new ATOM 1180 N ARG A 76 -3.083 11.640 -0.996 1.00 1.46 N ATOM 1181 CA ARG A 76 -2.162 12.636 -1.579 1.00 1.58 C ATOM 1182 C ARG A 76 -0.785 12.693 -0.894 1.00 1.01 C ATOM 1183 O ARG A 76 -0.417 13.720 -0.321 1.00 1.31 O ATOM 1184 CB ARG A 76 -2.857 14.011 -1.673 1.00 2.50 C ATOM 1185 CG ARG A 76 -4.173 13.976 -2.465 1.00 3.59 C ATOM 1186 CD ARG A 76 -4.755 15.387 -2.598 1.00 4.20 C ATOM 1187 NE ARG A 76 -6.070 15.360 -3.256 1.00 5.43 N ATOM 1188 CZ ARG A 76 -6.733 16.434 -3.720 1.00 6.15 C ATOM 1189 NH1 ARG A 76 -6.217 17.671 -3.642 1.00 5.96 N ATOM 1190 NH2 ARG A 76 -7.943 16.264 -4.272 1.00 7.62 N ATOM 0 H ARG A 76 -3.485 11.034 -1.711 1.00 1.46 H new ATOM 0 HA ARG A 76 -1.929 12.307 -2.592 1.00 1.58 H new ATOM 0 HB2 ARG A 76 -3.057 14.378 -0.666 1.00 2.50 H new ATOM 0 HB3 ARG A 76 -2.177 14.722 -2.143 1.00 2.50 H new ATOM 0 HG2 ARG A 76 -3.998 13.553 -3.454 1.00 3.59 H new ATOM 0 HG3 ARG A 76 -4.890 13.326 -1.963 1.00 3.59 H new ATOM 0 HD2 ARG A 76 -4.849 15.839 -1.611 1.00 4.20 H new ATOM 0 HD3 ARG A 76 -4.071 16.013 -3.172 1.00 4.20 H new ATOM 0 HE ARG A 76 -6.517 14.450 -3.370 1.00 5.43 H new ATOM 0 HH11 ARG A 76 -5.299 17.815 -3.222 1.00 5.96 H new ATOM 0 HH12 ARG A 76 -6.743 18.467 -4.003 1.00 5.96 H new ATOM 0 HH21 ARG A 76 -8.348 15.330 -4.335 1.00 7.62 H new ATOM 0 HH22 ARG A 76 -8.459 17.069 -4.629 1.00 7.62 H new ATOM 1204 N LEU A 77 -0.031 11.593 -0.939 1.00 0.86 N ATOM 1205 CA LEU A 77 1.328 11.490 -0.388 1.00 1.08 C ATOM 1206 C LEU A 77 2.357 12.302 -1.197 1.00 1.46 C ATOM 1207 O LEU A 77 2.417 12.198 -2.427 1.00 1.69 O ATOM 1208 CB LEU A 77 1.772 10.017 -0.363 1.00 1.30 C ATOM 1209 CG LEU A 77 1.053 9.111 0.651 1.00 1.15 C ATOM 1210 CD1 LEU A 77 1.446 7.659 0.373 1.00 1.60 C ATOM 1211 CD2 LEU A 77 1.451 9.443 2.091 1.00 2.18 C ATOM 0 H LEU A 77 -0.353 10.726 -1.369 1.00 0.86 H new ATOM 0 HA LEU A 77 1.291 11.901 0.621 1.00 1.08 H new ATOM 0 HB2 LEU A 77 1.629 9.598 -1.359 1.00 1.30 H new ATOM 0 HB3 LEU A 77 2.841 9.984 -0.154 1.00 1.30 H new ATOM 0 HG LEU A 77 -0.020 9.267 0.542 1.00 1.15 H new ATOM 0 HD11 LEU A 77 0.944 7.004 1.085 1.00 1.60 H new ATOM 0 HD12 LEU A 77 1.149 7.389 -0.641 1.00 1.60 H new ATOM 0 HD13 LEU A 77 2.525 7.548 0.477 1.00 1.60 H new ATOM 0 HD21 LEU A 77 0.922 8.781 2.777 1.00 2.18 H new ATOM 0 HD22 LEU A 77 2.526 9.307 2.212 1.00 2.18 H new ATOM 0 HD23 LEU A 77 1.190 10.478 2.311 1.00 2.18 H new ATOM 1223 N GLY A 78 3.230 13.031 -0.495 1.00 1.77 N ATOM 1224 CA GLY A 78 4.400 13.681 -1.096 1.00 2.23 C ATOM 1225 C GLY A 78 5.406 12.662 -1.646 1.00 2.00 C ATOM 1226 O GLY A 78 5.571 11.570 -1.100 1.00 1.70 O ATOM 0 H GLY A 78 3.145 13.188 0.509 1.00 1.77 H new ATOM 0 HA2 GLY A 78 4.075 14.340 -1.901 1.00 2.23 H new ATOM 0 HA3 GLY A 78 4.890 14.307 -0.350 1.00 2.23 H new ATOM 1230 N ASP A 79 6.103 13.002 -2.728 1.00 2.17 N ATOM 1231 CA ASP A 79 6.920 12.038 -3.481 1.00 1.99 C ATOM 1232 C ASP A 79 8.133 11.494 -2.699 1.00 1.72 C ATOM 1233 O ASP A 79 8.585 10.378 -2.967 1.00 1.63 O ATOM 1234 CB ASP A 79 7.345 12.645 -4.826 1.00 2.14 C ATOM 1235 CG ASP A 79 8.520 13.611 -4.697 1.00 4.11 C ATOM 1236 OD1 ASP A 79 8.310 14.751 -4.221 1.00 5.66 O ATOM 1237 OD2 ASP A 79 9.658 13.218 -5.050 1.00 4.78 O ATOM 0 H ASP A 79 6.121 13.947 -3.110 1.00 2.17 H new ATOM 0 HA ASP A 79 6.287 11.168 -3.659 1.00 1.99 H new ATOM 0 HB2 ASP A 79 7.615 11.842 -5.512 1.00 2.14 H new ATOM 0 HB3 ASP A 79 6.497 13.169 -5.267 1.00 2.14 H new ATOM 1242 N ALA A 80 8.644 12.235 -1.709 1.00 1.85 N ATOM 1243 CA ALA A 80 9.687 11.753 -0.798 1.00 1.68 C ATOM 1244 C ALA A 80 9.107 10.908 0.352 1.00 1.40 C ATOM 1245 O ALA A 80 9.793 10.024 0.871 1.00 1.30 O ATOM 1246 CB ALA A 80 10.501 12.948 -0.290 1.00 1.97 C ATOM 0 H ALA A 80 8.344 13.191 -1.517 1.00 1.85 H new ATOM 0 HA ALA A 80 10.352 11.084 -1.344 1.00 1.68 H new ATOM 0 HB1 ALA A 80 11.279 12.597 0.388 1.00 1.97 H new ATOM 0 HB2 ALA A 80 10.961 13.461 -1.135 1.00 1.97 H new ATOM 0 HB3 ALA A 80 9.843 13.638 0.239 1.00 1.97 H new ATOM 1252 N GLU A 81 7.842 11.128 0.723 1.00 1.39 N ATOM 1253 CA GLU A 81 7.116 10.263 1.663 1.00 1.15 C ATOM 1254 C GLU A 81 6.796 8.906 1.028 1.00 0.88 C ATOM 1255 O GLU A 81 7.009 7.881 1.671 1.00 0.73 O ATOM 1256 CB GLU A 81 5.835 10.935 2.187 1.00 1.33 C ATOM 1257 CG GLU A 81 6.119 12.263 2.898 1.00 1.87 C ATOM 1258 CD GLU A 81 4.868 12.792 3.601 1.00 1.94 C ATOM 1259 OE1 GLU A 81 3.969 13.344 2.920 1.00 2.10 O ATOM 1260 OE2 GLU A 81 4.783 12.695 4.847 1.00 2.89 O ATOM 0 H GLU A 81 7.289 11.913 0.380 1.00 1.39 H new ATOM 0 HA GLU A 81 7.772 10.096 2.518 1.00 1.15 H new ATOM 0 HB2 GLU A 81 5.154 11.110 1.354 1.00 1.33 H new ATOM 0 HB3 GLU A 81 5.329 10.258 2.876 1.00 1.33 H new ATOM 0 HG2 GLU A 81 6.918 12.125 3.627 1.00 1.87 H new ATOM 0 HG3 GLU A 81 6.471 12.998 2.174 1.00 1.87 H new ATOM 1267 N VAL A 82 6.385 8.876 -0.252 1.00 0.94 N ATOM 1268 CA VAL A 82 6.264 7.619 -1.016 1.00 0.94 C ATOM 1269 C VAL A 82 7.625 6.917 -1.072 1.00 1.04 C ATOM 1270 O VAL A 82 7.681 5.750 -0.716 1.00 0.99 O ATOM 1271 CB VAL A 82 5.688 7.816 -2.438 1.00 1.15 C ATOM 1272 CG1 VAL A 82 5.539 6.487 -3.204 1.00 1.26 C ATOM 1273 CG2 VAL A 82 4.292 8.446 -2.391 1.00 1.20 C ATOM 0 H VAL A 82 6.130 9.710 -0.781 1.00 0.94 H new ATOM 0 HA VAL A 82 5.545 6.992 -0.489 1.00 0.94 H new ATOM 0 HB VAL A 82 6.401 8.465 -2.946 1.00 1.15 H new ATOM 0 HG11 VAL A 82 5.131 6.682 -4.196 1.00 1.26 H new ATOM 0 HG12 VAL A 82 6.515 6.011 -3.301 1.00 1.26 H new ATOM 0 HG13 VAL A 82 4.866 5.826 -2.658 1.00 1.26 H new ATOM 0 HG21 VAL A 82 3.915 8.571 -3.406 1.00 1.20 H new ATOM 0 HG22 VAL A 82 3.619 7.797 -1.831 1.00 1.20 H new ATOM 0 HG23 VAL A 82 4.348 9.419 -1.902 1.00 1.20 H new ATOM 1283 N SER A 83 8.734 7.594 -1.414 1.00 1.20 N ATOM 1284 CA SER A 83 10.063 6.945 -1.478 1.00 1.27 C ATOM 1285 C SER A 83 10.514 6.328 -0.146 1.00 1.03 C ATOM 1286 O SER A 83 11.032 5.208 -0.126 1.00 0.95 O ATOM 1287 CB SER A 83 11.161 7.916 -1.918 1.00 1.58 C ATOM 1288 OG SER A 83 11.033 8.287 -3.275 1.00 2.04 O ATOM 0 H SER A 83 8.741 8.586 -1.650 1.00 1.20 H new ATOM 0 HA SER A 83 9.929 6.152 -2.214 1.00 1.27 H new ATOM 0 HB2 SER A 83 11.125 8.809 -1.294 1.00 1.58 H new ATOM 0 HB3 SER A 83 12.136 7.455 -1.760 1.00 1.58 H new ATOM 0 HG SER A 83 10.308 8.939 -3.369 1.00 2.04 H new ATOM 1294 N ALA A 84 10.292 7.014 0.978 1.00 1.00 N ATOM 1295 CA ALA A 84 10.597 6.468 2.301 1.00 0.86 C ATOM 1296 C ALA A 84 9.669 5.291 2.660 1.00 0.65 C ATOM 1297 O ALA A 84 10.130 4.275 3.177 1.00 0.55 O ATOM 1298 CB ALA A 84 10.528 7.608 3.319 1.00 1.01 C ATOM 0 H ALA A 84 9.899 7.955 0.997 1.00 1.00 H new ATOM 0 HA ALA A 84 11.604 6.051 2.308 1.00 0.86 H new ATOM 0 HB1 ALA A 84 10.752 7.222 4.313 1.00 1.01 H new ATOM 0 HB2 ALA A 84 11.255 8.376 3.055 1.00 1.01 H new ATOM 0 HB3 ALA A 84 9.527 8.039 3.315 1.00 1.01 H new ATOM 1304 N LEU A 85 8.377 5.363 2.318 1.00 0.66 N ATOM 1305 CA LEU A 85 7.414 4.276 2.531 1.00 0.61 C ATOM 1306 C LEU A 85 7.682 3.057 1.620 1.00 0.70 C ATOM 1307 O LEU A 85 7.493 1.925 2.047 1.00 0.78 O ATOM 1308 CB LEU A 85 6.002 4.877 2.376 1.00 0.78 C ATOM 1309 CG LEU A 85 4.825 3.988 2.818 1.00 1.06 C ATOM 1310 CD1 LEU A 85 4.938 3.541 4.279 1.00 2.18 C ATOM 1311 CD2 LEU A 85 3.518 4.777 2.679 1.00 1.93 C ATOM 0 H LEU A 85 7.966 6.188 1.880 1.00 0.66 H new ATOM 0 HA LEU A 85 7.517 3.865 3.535 1.00 0.61 H new ATOM 0 HB2 LEU A 85 5.962 5.805 2.946 1.00 0.78 H new ATOM 0 HB3 LEU A 85 5.856 5.140 1.328 1.00 0.78 H new ATOM 0 HG LEU A 85 4.841 3.103 2.181 1.00 1.06 H new ATOM 0 HD11 LEU A 85 4.082 2.917 4.536 1.00 2.18 H new ATOM 0 HD12 LEU A 85 5.857 2.970 4.415 1.00 2.18 H new ATOM 0 HD13 LEU A 85 4.956 4.417 4.927 1.00 2.18 H new ATOM 0 HD21 LEU A 85 2.681 4.152 2.991 1.00 1.93 H new ATOM 0 HD22 LEU A 85 3.561 5.666 3.308 1.00 1.93 H new ATOM 0 HD23 LEU A 85 3.381 5.074 1.639 1.00 1.93 H new ATOM 1323 N ILE A 86 8.209 3.271 0.412 1.00 0.81 N ATOM 1324 CA ILE A 86 8.697 2.257 -0.547 1.00 1.04 C ATOM 1325 C ILE A 86 9.992 1.616 -0.054 1.00 1.06 C ATOM 1326 O ILE A 86 10.210 0.414 -0.236 1.00 1.36 O ATOM 1327 CB ILE A 86 8.854 2.909 -1.950 1.00 1.31 C ATOM 1328 CG1 ILE A 86 7.622 2.628 -2.829 1.00 1.34 C ATOM 1329 CG2 ILE A 86 10.105 2.498 -2.749 1.00 1.83 C ATOM 1330 CD1 ILE A 86 6.262 2.965 -2.202 1.00 1.34 C ATOM 0 H ILE A 86 8.317 4.217 0.047 1.00 0.81 H new ATOM 0 HA ILE A 86 7.968 1.450 -0.629 1.00 1.04 H new ATOM 0 HB ILE A 86 8.963 3.969 -1.721 1.00 1.31 H new ATOM 0 HG12 ILE A 86 7.724 3.193 -3.755 1.00 1.34 H new ATOM 0 HG13 ILE A 86 7.625 1.572 -3.098 1.00 1.34 H new ATOM 0 HG21 ILE A 86 10.109 3.014 -3.709 1.00 1.83 H new ATOM 0 HG22 ILE A 86 11.000 2.768 -2.188 1.00 1.83 H new ATOM 0 HG23 ILE A 86 10.093 1.421 -2.916 1.00 1.83 H new ATOM 0 HD11 ILE A 86 5.467 2.727 -2.908 1.00 1.34 H new ATOM 0 HD12 ILE A 86 6.126 2.380 -1.292 1.00 1.34 H new ATOM 0 HD13 ILE A 86 6.226 4.027 -1.959 1.00 1.34 H new ATOM 1342 N SER A 87 10.833 2.403 0.614 1.00 0.87 N ATOM 1343 CA SER A 87 12.005 1.896 1.317 1.00 0.83 C ATOM 1344 C SER A 87 11.581 0.999 2.478 1.00 0.80 C ATOM 1345 O SER A 87 12.079 -0.119 2.587 1.00 1.13 O ATOM 1346 CB SER A 87 12.922 3.040 1.755 1.00 0.81 C ATOM 1347 OG SER A 87 13.319 3.782 0.609 1.00 1.66 O ATOM 0 H SER A 87 10.718 3.414 0.682 1.00 0.87 H new ATOM 0 HA SER A 87 12.590 1.280 0.633 1.00 0.83 H new ATOM 0 HB2 SER A 87 12.404 3.688 2.462 1.00 0.81 H new ATOM 0 HB3 SER A 87 13.798 2.644 2.269 1.00 0.81 H new ATOM 0 HG SER A 87 12.562 4.314 0.285 1.00 1.66 H new ATOM 1353 N TYR A 88 10.560 1.394 3.253 1.00 0.69 N ATOM 1354 CA TYR A 88 10.038 0.535 4.325 1.00 0.89 C ATOM 1355 C TYR A 88 9.378 -0.745 3.789 1.00 1.18 C ATOM 1356 O TYR A 88 9.693 -1.823 4.278 1.00 1.48 O ATOM 1357 CB TYR A 88 9.107 1.331 5.251 1.00 0.83 C ATOM 1358 CG TYR A 88 8.495 0.578 6.427 1.00 1.00 C ATOM 1359 CD1 TYR A 88 9.219 -0.429 7.102 1.00 2.35 C ATOM 1360 CD2 TYR A 88 7.205 0.920 6.883 1.00 1.87 C ATOM 1361 CE1 TYR A 88 8.659 -1.085 8.211 1.00 2.53 C ATOM 1362 CE2 TYR A 88 6.648 0.277 8.008 1.00 1.86 C ATOM 1363 CZ TYR A 88 7.380 -0.723 8.682 1.00 1.35 C ATOM 1364 OH TYR A 88 6.888 -1.323 9.797 1.00 1.52 O ATOM 0 H TYR A 88 10.085 2.292 3.159 1.00 0.69 H new ATOM 0 HA TYR A 88 10.888 0.198 4.918 1.00 0.89 H new ATOM 0 HB2 TYR A 88 9.666 2.180 5.645 1.00 0.83 H new ATOM 0 HB3 TYR A 88 8.295 1.737 4.648 1.00 0.83 H new ATOM 0 HD1 TYR A 88 10.209 -0.697 6.764 1.00 2.35 H new ATOM 0 HD2 TYR A 88 6.639 1.681 6.366 1.00 1.87 H new ATOM 0 HE1 TYR A 88 9.211 -1.871 8.705 1.00 2.53 H new ATOM 0 HE2 TYR A 88 5.662 0.550 8.353 1.00 1.86 H new ATOM 0 HH TYR A 88 5.997 -0.966 9.995 1.00 1.52 H new ATOM 1374 N LEU A 89 8.538 -0.659 2.748 1.00 1.24 N ATOM 1375 CA LEU A 89 7.800 -1.794 2.164 1.00 1.62 C ATOM 1376 C LEU A 89 8.659 -2.816 1.381 1.00 1.98 C ATOM 1377 O LEU A 89 8.134 -3.821 0.908 1.00 2.97 O ATOM 1378 CB LEU A 89 6.574 -1.274 1.384 1.00 1.63 C ATOM 1379 CG LEU A 89 5.288 -1.182 2.239 1.00 1.44 C ATOM 1380 CD1 LEU A 89 5.421 -0.393 3.546 1.00 1.60 C ATOM 1381 CD2 LEU A 89 4.172 -0.520 1.425 1.00 2.36 C ATOM 0 H LEU A 89 8.346 0.224 2.275 1.00 1.24 H new ATOM 0 HA LEU A 89 7.446 -2.399 2.998 1.00 1.62 H new ATOM 0 HB2 LEU A 89 6.803 -0.288 0.980 1.00 1.63 H new ATOM 0 HB3 LEU A 89 6.389 -1.931 0.534 1.00 1.63 H new ATOM 0 HG LEU A 89 5.067 -2.215 2.508 1.00 1.44 H new ATOM 0 HD11 LEU A 89 4.464 -0.390 4.068 1.00 1.60 H new ATOM 0 HD12 LEU A 89 6.177 -0.860 4.177 1.00 1.60 H new ATOM 0 HD13 LEU A 89 5.716 0.632 3.324 1.00 1.60 H new ATOM 0 HD21 LEU A 89 3.268 -0.457 2.031 1.00 2.36 H new ATOM 0 HD22 LEU A 89 4.482 0.483 1.131 1.00 2.36 H new ATOM 0 HD23 LEU A 89 3.971 -1.114 0.533 1.00 2.36 H new ATOM 1393 N GLU A 90 9.972 -2.591 1.261 1.00 1.28 N ATOM 1394 CA GLU A 90 10.970 -3.598 0.870 1.00 1.33 C ATOM 1395 C GLU A 90 11.934 -3.991 2.019 1.00 1.33 C ATOM 1396 O GLU A 90 12.449 -5.114 2.044 1.00 1.48 O ATOM 1397 CB GLU A 90 11.731 -3.063 -0.355 1.00 1.45 C ATOM 1398 CG GLU A 90 12.319 -4.204 -1.186 1.00 1.62 C ATOM 1399 CD GLU A 90 13.162 -3.704 -2.364 1.00 2.07 C ATOM 1400 OE1 GLU A 90 12.592 -3.224 -3.374 1.00 3.30 O ATOM 1401 OE2 GLU A 90 14.406 -3.859 -2.304 1.00 2.56 O ATOM 0 H GLU A 90 10.384 -1.675 1.438 1.00 1.28 H new ATOM 0 HA GLU A 90 10.450 -4.523 0.620 1.00 1.33 H new ATOM 0 HB2 GLU A 90 11.058 -2.470 -0.973 1.00 1.45 H new ATOM 0 HB3 GLU A 90 12.531 -2.399 -0.027 1.00 1.45 H new ATOM 0 HG2 GLU A 90 12.935 -4.835 -0.545 1.00 1.62 H new ATOM 0 HG3 GLU A 90 11.509 -4.828 -1.563 1.00 1.62 H new ATOM 1408 N GLU A 91 12.194 -3.102 2.984 1.00 1.24 N ATOM 1409 CA GLU A 91 13.024 -3.374 4.175 1.00 1.29 C ATOM 1410 C GLU A 91 12.292 -4.256 5.209 1.00 1.52 C ATOM 1411 O GLU A 91 12.914 -5.111 5.839 1.00 1.62 O ATOM 1412 CB GLU A 91 13.552 -2.045 4.760 1.00 1.33 C ATOM 1413 CG GLU A 91 14.677 -1.474 3.867 1.00 1.55 C ATOM 1414 CD GLU A 91 15.014 0.013 4.078 1.00 2.51 C ATOM 1415 OE1 GLU A 91 14.889 0.549 5.210 1.00 3.03 O ATOM 1416 OE2 GLU A 91 15.504 0.632 3.094 1.00 3.96 O ATOM 0 H GLU A 91 11.827 -2.150 2.963 1.00 1.24 H new ATOM 0 HA GLU A 91 13.890 -3.964 3.873 1.00 1.29 H new ATOM 0 HB2 GLU A 91 12.738 -1.324 4.836 1.00 1.33 H new ATOM 0 HB3 GLU A 91 13.928 -2.208 5.770 1.00 1.33 H new ATOM 0 HG2 GLU A 91 15.581 -2.059 4.036 1.00 1.55 H new ATOM 0 HG3 GLU A 91 14.395 -1.618 2.824 1.00 1.55 H new ATOM 1423 N GLU A 92 10.961 -4.164 5.305 1.00 1.72 N ATOM 1424 CA GLU A 92 10.118 -5.100 6.073 1.00 2.13 C ATOM 1425 C GLU A 92 10.266 -6.557 5.599 1.00 2.15 C ATOM 1426 O GLU A 92 10.299 -7.480 6.417 1.00 2.30 O ATOM 1427 CB GLU A 92 8.646 -4.629 6.063 1.00 2.52 C ATOM 1428 CG GLU A 92 7.977 -4.411 4.688 1.00 4.79 C ATOM 1429 CD GLU A 92 7.129 -5.586 4.190 1.00 7.18 C ATOM 1430 OE1 GLU A 92 7.708 -6.634 3.835 1.00 8.36 O ATOM 1431 OE2 GLU A 92 5.886 -5.481 4.149 1.00 8.32 O ATOM 0 H GLU A 92 10.426 -3.427 4.846 1.00 1.72 H new ATOM 0 HA GLU A 92 10.470 -5.091 7.105 1.00 2.13 H new ATOM 0 HB2 GLU A 92 8.055 -5.361 6.613 1.00 2.52 H new ATOM 0 HB3 GLU A 92 8.589 -3.692 6.617 1.00 2.52 H new ATOM 0 HG2 GLU A 92 7.346 -3.524 4.744 1.00 4.79 H new ATOM 0 HG3 GLU A 92 8.753 -4.204 3.951 1.00 4.79 H new ATOM 1438 N THR A 93 10.458 -6.757 4.292 1.00 2.09 N ATOM 1439 CA THR A 93 10.645 -8.077 3.678 1.00 2.24 C ATOM 1440 C THR A 93 12.051 -8.609 3.968 1.00 2.13 C ATOM 1441 O THR A 93 12.229 -9.790 4.270 1.00 2.31 O ATOM 1442 CB THR A 93 10.403 -7.986 2.165 1.00 2.29 C ATOM 1443 OG1 THR A 93 9.115 -7.515 1.852 1.00 2.69 O ATOM 1444 CG2 THR A 93 10.513 -9.327 1.458 1.00 2.56 C ATOM 0 H THR A 93 10.489 -5.992 3.617 1.00 2.09 H new ATOM 0 HA THR A 93 9.924 -8.772 4.108 1.00 2.24 H new ATOM 0 HB THR A 93 11.179 -7.299 1.828 1.00 2.29 H new ATOM 0 HG1 THR A 93 8.648 -7.268 2.677 1.00 2.69 H new ATOM 0 HG21 THR A 93 10.331 -9.192 0.392 1.00 2.56 H new ATOM 0 HG22 THR A 93 11.512 -9.736 1.607 1.00 2.56 H new ATOM 0 HG23 THR A 93 9.774 -10.016 1.868 1.00 2.56 H new ATOM 1452 N ALA A 94 13.061 -7.733 3.951 1.00 1.88 N ATOM 1453 CA ALA A 94 14.422 -8.073 4.368 1.00 1.79 C ATOM 1454 C ALA A 94 14.498 -8.475 5.857 1.00 1.86 C ATOM 1455 O ALA A 94 15.324 -9.311 6.225 1.00 1.99 O ATOM 1456 CB ALA A 94 15.346 -6.892 4.046 1.00 1.56 C ATOM 0 H ALA A 94 12.955 -6.765 3.646 1.00 1.88 H new ATOM 0 HA ALA A 94 14.751 -8.951 3.813 1.00 1.79 H new ATOM 0 HB1 ALA A 94 16.364 -7.133 4.352 1.00 1.56 H new ATOM 0 HB2 ALA A 94 15.326 -6.696 2.974 1.00 1.56 H new ATOM 0 HB3 ALA A 94 15.005 -6.007 4.583 1.00 1.56 H new ATOM 1462 N ARG A 95 13.615 -7.929 6.708 1.00 1.95 N ATOM 1463 CA ARG A 95 13.477 -8.304 8.127 1.00 2.28 C ATOM 1464 C ARG A 95 12.712 -9.619 8.331 1.00 2.81 C ATOM 1465 O ARG A 95 13.230 -10.518 8.994 1.00 3.37 O ATOM 1466 CB ARG A 95 12.843 -7.117 8.879 1.00 2.58 C ATOM 1467 CG ARG A 95 12.802 -7.232 10.413 1.00 3.59 C ATOM 1468 CD ARG A 95 14.159 -7.054 11.112 1.00 3.78 C ATOM 1469 NE ARG A 95 15.016 -8.248 11.021 1.00 4.94 N ATOM 1470 CZ ARG A 95 16.250 -8.308 10.482 1.00 5.73 C ATOM 1471 NH1 ARG A 95 16.841 -7.236 9.929 1.00 5.52 N ATOM 1472 NH2 ARG A 95 16.906 -9.475 10.488 1.00 7.33 N ATOM 0 H ARG A 95 12.962 -7.199 6.424 1.00 1.95 H new ATOM 0 HA ARG A 95 14.465 -8.507 8.541 1.00 2.28 H new ATOM 0 HB2 ARG A 95 13.392 -6.212 8.617 1.00 2.58 H new ATOM 0 HB3 ARG A 95 11.823 -6.987 8.517 1.00 2.58 H new ATOM 0 HG2 ARG A 95 12.109 -6.485 10.800 1.00 3.59 H new ATOM 0 HG3 ARG A 95 12.398 -8.209 10.679 1.00 3.59 H new ATOM 0 HD2 ARG A 95 14.680 -6.205 10.670 1.00 3.78 H new ATOM 0 HD3 ARG A 95 13.992 -6.813 12.162 1.00 3.78 H new ATOM 0 HE ARG A 95 14.639 -9.115 11.403 1.00 4.94 H new ATOM 0 HH11 ARG A 95 16.355 -6.340 9.908 1.00 5.52 H new ATOM 0 HH12 ARG A 95 17.776 -7.318 9.530 1.00 5.52 H new ATOM 0 HH21 ARG A 95 16.471 -10.302 10.897 1.00 7.33 H new ATOM 0 HH22 ARG A 95 17.841 -9.537 10.084 1.00 7.33 H new ATOM 1486 N LEU A 96 11.491 -9.737 7.794 1.00 2.82 N ATOM 1487 CA LEU A 96 10.555 -10.878 7.954 1.00 3.37 C ATOM 1488 C LEU A 96 10.247 -11.284 9.425 1.00 3.11 C ATOM 1489 O LEU A 96 9.760 -12.387 9.695 1.00 3.65 O ATOM 1490 CB LEU A 96 11.005 -12.053 7.044 1.00 4.20 C ATOM 1491 CG LEU A 96 9.994 -12.756 6.133 1.00 5.59 C ATOM 1492 CD1 LEU A 96 8.716 -13.116 6.854 1.00 5.73 C ATOM 1493 CD2 LEU A 96 9.670 -11.874 4.940 1.00 6.46 C ATOM 0 H LEU A 96 11.100 -9.004 7.202 1.00 2.82 H new ATOM 0 HA LEU A 96 9.576 -10.541 7.614 1.00 3.37 H new ATOM 0 HB2 LEU A 96 11.807 -11.679 6.408 1.00 4.20 H new ATOM 0 HB3 LEU A 96 11.440 -12.814 7.692 1.00 4.20 H new ATOM 0 HG LEU A 96 10.457 -13.685 5.801 1.00 5.59 H new ATOM 0 HD11 LEU A 96 8.035 -13.612 6.162 1.00 5.73 H new ATOM 0 HD12 LEU A 96 8.942 -13.787 7.683 1.00 5.73 H new ATOM 0 HD13 LEU A 96 8.247 -12.210 7.238 1.00 5.73 H new ATOM 0 HD21 LEU A 96 8.950 -12.381 4.297 1.00 6.46 H new ATOM 0 HD22 LEU A 96 9.245 -10.933 5.288 1.00 6.46 H new ATOM 0 HD23 LEU A 96 10.582 -11.674 4.377 1.00 6.46 H new ATOM 1505 N GLN A 97 10.532 -10.387 10.372 1.00 3.26 N ATOM 1506 CA GLN A 97 10.551 -10.557 11.837 1.00 4.11 C ATOM 1507 C GLN A 97 10.081 -9.252 12.530 1.00 5.10 C ATOM 1508 O GLN A 97 9.721 -8.288 11.854 1.00 6.57 O ATOM 1509 CB GLN A 97 12.004 -10.854 12.278 1.00 4.41 C ATOM 1510 CG GLN A 97 12.578 -12.215 11.871 1.00 4.28 C ATOM 1511 CD GLN A 97 14.037 -12.313 12.318 1.00 4.65 C ATOM 1512 OE1 GLN A 97 14.911 -11.600 11.841 1.00 5.21 O ATOM 1513 NE2 GLN A 97 14.375 -13.181 13.242 1.00 5.34 N ATOM 0 H GLN A 97 10.779 -9.432 10.114 1.00 3.26 H new ATOM 0 HA GLN A 97 9.886 -11.374 12.116 1.00 4.11 H new ATOM 0 HB2 GLN A 97 12.650 -10.076 11.871 1.00 4.41 H new ATOM 0 HB3 GLN A 97 12.054 -10.774 13.364 1.00 4.41 H new ATOM 0 HG2 GLN A 97 11.994 -13.017 12.323 1.00 4.28 H new ATOM 0 HG3 GLN A 97 12.509 -12.341 10.791 1.00 4.28 H new ATOM 0 HE21 GLN A 97 13.667 -13.787 13.656 1.00 5.34 H new ATOM 0 HE22 GLN A 97 15.346 -13.250 13.546 1.00 5.34 H new ATOM 1522 N THR A 98 10.181 -9.176 13.862 1.00 4.98 N ATOM 1523 CA THR A 98 10.154 -7.920 14.651 1.00 6.05 C ATOM 1524 C THR A 98 8.848 -7.106 14.566 1.00 6.90 C ATOM 1525 O THR A 98 8.840 -5.972 14.070 1.00 7.33 O ATOM 1526 CB THR A 98 11.401 -7.056 14.372 1.00 6.24 C ATOM 1527 OG1 THR A 98 12.579 -7.838 14.300 1.00 6.10 O ATOM 1528 CG2 THR A 98 11.661 -6.028 15.472 1.00 7.23 C ATOM 0 H THR A 98 10.286 -10.006 14.446 1.00 4.98 H new ATOM 0 HA THR A 98 10.182 -8.247 15.690 1.00 6.05 H new ATOM 0 HB THR A 98 11.185 -6.565 13.423 1.00 6.24 H new ATOM 0 HG1 THR A 98 13.362 -7.249 14.281 1.00 6.10 H new ATOM 0 HG21 THR A 98 12.550 -5.448 15.225 1.00 7.23 H new ATOM 0 HG22 THR A 98 10.803 -5.360 15.556 1.00 7.23 H new ATOM 0 HG23 THR A 98 11.815 -6.542 16.421 1.00 7.23 H new ATOM 1536 N PRO A 99 7.746 -7.625 15.139 1.00 7.60 N ATOM 1537 CA PRO A 99 6.741 -6.796 15.801 1.00 8.81 C ATOM 1538 C PRO A 99 7.339 -6.197 17.085 1.00 9.50 C ATOM 1539 O PRO A 99 7.941 -6.926 17.885 1.00 9.91 O ATOM 1540 CB PRO A 99 5.597 -7.753 16.141 1.00 9.57 C ATOM 1541 CG PRO A 99 6.306 -9.086 16.370 1.00 9.07 C ATOM 1542 CD PRO A 99 7.522 -9.031 15.449 1.00 7.70 C ATOM 0 HA PRO A 99 6.402 -5.968 15.178 1.00 8.81 H new ATOM 0 HB2 PRO A 99 5.053 -7.430 17.029 1.00 9.57 H new ATOM 0 HB3 PRO A 99 4.873 -7.818 15.329 1.00 9.57 H new ATOM 0 HG2 PRO A 99 6.602 -9.205 17.412 1.00 9.07 H new ATOM 0 HG3 PRO A 99 5.659 -9.928 16.124 1.00 9.07 H new ATOM 0 HD2 PRO A 99 8.396 -9.465 15.935 1.00 7.70 H new ATOM 0 HD3 PRO A 99 7.345 -9.605 14.539 1.00 7.70 H new ATOM 1550 N VAL A 100 7.201 -4.890 17.307 1.00 10.00 N ATOM 1551 CA VAL A 100 7.714 -4.229 18.523 1.00 10.87 C ATOM 1552 C VAL A 100 6.940 -2.937 18.828 1.00 11.92 C ATOM 1553 O VAL A 100 6.606 -2.182 17.915 1.00 12.42 O ATOM 1554 CB VAL A 100 9.242 -4.026 18.406 1.00 10.69 C ATOM 1555 CG1 VAL A 100 9.664 -2.969 17.380 1.00 11.08 C ATOM 1556 CG2 VAL A 100 9.860 -3.681 19.760 1.00 11.73 C ATOM 0 H VAL A 100 6.735 -4.256 16.658 1.00 10.00 H new ATOM 0 HA VAL A 100 7.545 -4.874 19.385 1.00 10.87 H new ATOM 0 HB VAL A 100 9.619 -4.984 18.049 1.00 10.69 H new ATOM 0 HG11 VAL A 100 10.751 -2.892 17.363 1.00 11.08 H new ATOM 0 HG12 VAL A 100 9.306 -3.258 16.392 1.00 11.08 H new ATOM 0 HG13 VAL A 100 9.236 -2.005 17.654 1.00 11.08 H new ATOM 0 HG21 VAL A 100 10.935 -3.544 19.645 1.00 11.73 H new ATOM 0 HG22 VAL A 100 9.416 -2.761 20.139 1.00 11.73 H new ATOM 0 HG23 VAL A 100 9.671 -4.492 20.464 1.00 11.73 H new ATOM 1566 N THR A 101 6.621 -2.677 20.100 1.00 12.54 N ATOM 1567 CA THR A 101 5.718 -1.582 20.518 1.00 13.63 C ATOM 1568 C THR A 101 6.248 -0.787 21.717 1.00 14.25 C ATOM 1569 O THR A 101 7.044 -1.290 22.515 1.00 14.58 O ATOM 1570 CB THR A 101 4.293 -2.098 20.809 1.00 14.08 C ATOM 1571 OG1 THR A 101 4.310 -3.157 21.737 1.00 13.97 O ATOM 1572 CG2 THR A 101 3.598 -2.616 19.553 1.00 14.05 C ATOM 0 H THR A 101 6.983 -3.223 20.882 1.00 12.54 H new ATOM 0 HA THR A 101 5.678 -0.897 19.671 1.00 13.63 H new ATOM 0 HB THR A 101 3.750 -1.241 21.208 1.00 14.08 H new ATOM 0 HG1 THR A 101 3.393 -3.462 21.903 1.00 13.97 H new ATOM 0 HG21 THR A 101 2.599 -2.968 19.809 1.00 14.05 H new ATOM 0 HG22 THR A 101 3.523 -1.812 18.821 1.00 14.05 H new ATOM 0 HG23 THR A 101 4.175 -3.439 19.131 1.00 14.05 H new ATOM 1580 N ASN A 102 5.807 0.472 21.828 1.00 14.66 N ATOM 1581 CA ASN A 102 6.156 1.488 22.828 1.00 15.44 C ATOM 1582 C ASN A 102 7.672 1.717 23.013 1.00 15.45 C ATOM 1583 O ASN A 102 8.208 2.706 22.511 1.00 15.76 O ATOM 1584 CB ASN A 102 5.386 1.207 24.133 1.00 16.07 C ATOM 1585 CG ASN A 102 5.573 2.259 25.215 1.00 16.89 C ATOM 1586 OD1 ASN A 102 5.897 3.410 24.968 1.00 17.60 O ATOM 1587 ND2 ASN A 102 5.341 1.897 26.454 1.00 17.06 N ATOM 0 H ASN A 102 5.133 0.839 21.156 1.00 14.66 H new ATOM 0 HA ASN A 102 5.830 2.456 22.448 1.00 15.44 H new ATOM 0 HB2 ASN A 102 4.324 1.126 23.903 1.00 16.07 H new ATOM 0 HB3 ASN A 102 5.702 0.240 24.525 1.00 16.07 H new ATOM 0 HD21 ASN A 102 5.431 2.577 27.209 1.00 17.06 H new ATOM 0 HD22 ASN A 102 5.070 0.936 26.662 1.00 17.06 H new ATOM 1594 N ARG A 103 8.352 0.810 23.726 1.00 15.48 N ATOM 1595 CA ARG A 103 9.750 0.907 24.196 1.00 16.10 C ATOM 1596 C ARG A 103 10.569 -0.374 23.989 1.00 15.66 C ATOM 1597 O ARG A 103 11.717 -0.440 24.425 1.00 16.17 O ATOM 1598 CB ARG A 103 9.739 1.302 25.689 1.00 17.37 C ATOM 1599 CG ARG A 103 9.312 2.757 25.929 1.00 18.33 C ATOM 1600 CD ARG A 103 9.095 3.014 27.424 1.00 19.56 C ATOM 1601 NE ARG A 103 8.635 4.391 27.665 1.00 20.44 N ATOM 1602 CZ ARG A 103 7.863 4.795 28.691 1.00 21.48 C ATOM 1603 NH1 ARG A 103 7.421 3.938 29.627 1.00 21.84 N ATOM 1604 NH2 ARG A 103 7.525 6.089 28.781 1.00 22.36 N ATOM 0 H ARG A 103 7.918 -0.068 24.011 1.00 15.48 H new ATOM 0 HA ARG A 103 10.244 1.667 23.590 1.00 16.10 H new ATOM 0 HB2 ARG A 103 9.063 0.639 26.228 1.00 17.37 H new ATOM 0 HB3 ARG A 103 10.735 1.149 26.105 1.00 17.37 H new ATOM 0 HG2 ARG A 103 10.075 3.434 25.545 1.00 18.33 H new ATOM 0 HG3 ARG A 103 8.394 2.968 25.381 1.00 18.33 H new ATOM 0 HD2 ARG A 103 8.361 2.309 27.814 1.00 19.56 H new ATOM 0 HD3 ARG A 103 10.025 2.838 27.965 1.00 19.56 H new ATOM 0 HE ARG A 103 8.927 5.102 26.995 1.00 20.44 H new ATOM 0 HH11 ARG A 103 7.669 2.950 29.572 1.00 21.84 H new ATOM 0 HH12 ARG A 103 6.837 4.275 30.392 1.00 21.84 H new ATOM 0 HH21 ARG A 103 7.852 6.752 28.078 1.00 22.36 H new ATOM 0 HH22 ARG A 103 6.941 6.411 29.552 1.00 22.36 H new ATOM 1618 N GLY A 104 10.013 -1.398 23.340 1.00 15.11 N ATOM 1619 CA GLY A 104 10.621 -2.733 23.266 1.00 15.27 C ATOM 1620 C GLY A 104 11.833 -2.891 22.331 1.00 15.57 C ATOM 1621 O GLY A 104 12.297 -4.019 22.163 1.00 16.02 O ATOM 0 H GLY A 104 9.123 -1.327 22.847 1.00 15.11 H new ATOM 0 HA2 GLY A 104 10.927 -3.023 24.271 1.00 15.27 H new ATOM 0 HA3 GLY A 104 9.853 -3.439 22.950 1.00 15.27 H new ATOM 1625 N ILE A 105 12.317 -1.820 21.688 1.00 15.65 N ATOM 1626 CA ILE A 105 13.277 -1.858 20.563 1.00 16.27 C ATOM 1627 C ILE A 105 14.788 -1.664 20.862 1.00 17.54 C ATOM 1628 O ILE A 105 15.578 -2.240 20.112 1.00 18.00 O ATOM 1629 CB ILE A 105 12.773 -0.926 19.431 1.00 15.83 C ATOM 1630 CG1 ILE A 105 13.506 -1.181 18.093 1.00 16.29 C ATOM 1631 CG2 ILE A 105 12.852 0.554 19.837 1.00 16.12 C ATOM 1632 CD1 ILE A 105 12.887 -0.450 16.892 1.00 16.14 C ATOM 0 H ILE A 105 12.046 -0.870 21.940 1.00 15.65 H new ATOM 0 HA ILE A 105 13.278 -2.903 20.253 1.00 16.27 H new ATOM 0 HB ILE A 105 11.723 -1.170 19.271 1.00 15.83 H new ATOM 0 HG12 ILE A 105 14.546 -0.873 18.196 1.00 16.29 H new ATOM 0 HG13 ILE A 105 13.510 -2.252 17.891 1.00 16.29 H new ATOM 0 HG21 ILE A 105 12.490 1.176 19.018 1.00 16.12 H new ATOM 0 HG22 ILE A 105 12.236 0.722 20.720 1.00 16.12 H new ATOM 0 HG23 ILE A 105 13.886 0.815 20.061 1.00 16.12 H new ATOM 0 HD11 ILE A 105 13.458 -0.680 15.992 1.00 16.14 H new ATOM 0 HD12 ILE A 105 11.855 -0.776 16.760 1.00 16.14 H new ATOM 0 HD13 ILE A 105 12.908 0.625 17.070 1.00 16.14 H new ATOM 1644 N PRO A 106 15.259 -0.914 21.882 1.00 18.35 N ATOM 1645 CA PRO A 106 16.679 -0.579 22.039 1.00 19.68 C ATOM 1646 C PRO A 106 17.514 -1.752 22.559 1.00 20.56 C ATOM 1647 O PRO A 106 17.086 -2.444 23.512 1.00 20.70 O ATOM 1648 CB PRO A 106 16.718 0.640 22.961 1.00 20.31 C ATOM 1649 CG PRO A 106 15.499 0.430 23.847 1.00 19.68 C ATOM 1650 CD PRO A 106 14.495 -0.272 22.931 1.00 18.32 C ATOM 1651 OXT PRO A 106 18.597 -2.023 22.042 1.00 21.38 O ATOM 0 HA PRO A 106 17.136 -0.352 21.076 1.00 19.68 H new ATOM 0 HB2 PRO A 106 17.639 0.678 23.542 1.00 20.31 H new ATOM 0 HB3 PRO A 106 16.655 1.573 22.401 1.00 20.31 H new ATOM 0 HG2 PRO A 106 15.739 -0.179 24.718 1.00 19.68 H new ATOM 0 HG3 PRO A 106 15.107 1.377 24.218 1.00 19.68 H new ATOM 0 HD2 PRO A 106 13.912 -1.005 23.488 1.00 18.32 H new ATOM 0 HD3 PRO A 106 13.789 0.444 22.511 1.00 18.32 H new TER 1659 PRO A 106 HETATM 1660 FE HEC A 107 -4.721 1.187 2.936 1.00 1.12 FE HETATM 1661 CHA HEC A 107 -5.013 -1.992 1.408 1.00 0.95 C HETATM 1662 CHB HEC A 107 -1.499 1.451 1.649 1.00 1.36 C HETATM 1663 CHC HEC A 107 -4.508 4.385 4.245 1.00 1.38 C HETATM 1664 CHD HEC A 107 -7.879 0.760 4.319 1.00 0.99 C HETATM 1665 NA HEC A 107 -3.457 -0.075 1.784 1.00 1.07 N HETATM 1666 C1A HEC A 107 -3.797 -1.306 1.274 1.00 1.00 C HETATM 1667 C2A HEC A 107 -2.652 -1.799 0.538 1.00 1.07 C HETATM 1668 C3A HEC A 107 -1.658 -0.849 0.641 1.00 1.17 C HETATM 1669 C4A HEC A 107 -2.189 0.259 1.400 1.00 1.19 C HETATM 1670 CMA HEC A 107 -0.271 -0.944 0.042 1.00 1.31 C HETATM 1671 CAA HEC A 107 -2.513 -3.145 -0.149 1.00 1.08 C HETATM 1672 CBA HEC A 107 -1.996 -4.234 0.804 1.00 1.60 C HETATM 1673 CGA HEC A 107 -1.668 -5.565 0.134 1.00 1.61 C HETATM 1674 O1A HEC A 107 -1.251 -6.477 0.875 1.00 2.51 O HETATM 1675 O2A HEC A 107 -1.815 -5.677 -1.099 1.00 2.21 O HETATM 1676 NB HEC A 107 -3.272 2.660 2.924 1.00 1.31 N HETATM 1677 C1B HEC A 107 -2.031 2.532 2.364 1.00 1.39 C HETATM 1678 C2B HEC A 107 -1.317 3.763 2.611 1.00 1.57 C HETATM 1679 C3B HEC A 107 -2.102 4.539 3.441 1.00 1.47 C HETATM 1680 C4B HEC A 107 -3.389 3.877 3.555 1.00 1.38 C HETATM 1681 CMB HEC A 107 0.029 4.128 2.010 1.00 1.91 C HETATM 1682 CAB HEC A 107 -1.679 5.819 4.145 1.00 1.52 C HETATM 1683 CBB HEC A 107 -1.666 6.997 3.174 1.00 1.90 C HETATM 1684 NC HEC A 107 -6.002 2.389 4.028 1.00 1.17 N HETATM 1685 C1C HEC A 107 -5.697 3.653 4.462 1.00 1.29 C HETATM 1686 C2C HEC A 107 -6.822 4.106 5.257 1.00 1.31 C HETATM 1687 C3C HEC A 107 -7.720 3.060 5.349 1.00 1.17 C HETATM 1688 C4C HEC A 107 -7.223 1.991 4.511 1.00 1.10 C HETATM 1689 CMC HEC A 107 -6.969 5.465 5.913 1.00 1.49 C HETATM 1690 CAC HEC A 107 -8.880 2.939 6.325 1.00 1.11 C HETATM 1691 CBC HEC A 107 -9.989 3.966 6.075 1.00 1.28 C HETATM 1692 ND HEC A 107 -6.172 -0.357 2.904 1.00 0.94 N HETATM 1693 C1D HEC A 107 -7.375 -0.283 3.543 1.00 0.94 C HETATM 1694 C2D HEC A 107 -8.066 -1.524 3.287 1.00 0.93 C HETATM 1695 C3D HEC A 107 -7.350 -2.193 2.326 1.00 0.94 C HETATM 1696 C4D HEC A 107 -6.075 -1.527 2.197 1.00 0.92 C HETATM 1697 CMD HEC A 107 -9.377 -1.992 3.879 1.00 1.03 C HETATM 1698 CAD HEC A 107 -7.926 -3.198 1.352 1.00 1.17 C HETATM 1699 CBD HEC A 107 -8.328 -2.528 0.028 1.00 2.40 C HETATM 1700 CGD HEC A 107 -9.487 -1.544 0.175 1.00 3.84 C HETATM 1701 O1D HEC A 107 -9.203 -0.328 0.217 1.00 4.73 O HETATM 1702 O2D HEC A 107 -10.645 -2.011 0.221 1.00 4.87 O HETATM 0 HMD3 HEC A 107 -9.285 -2.053 4.963 1.00 1.03 H new HETATM 0 HMD2 HEC A 107 -10.166 -1.286 3.620 1.00 1.03 H new HETATM 0 HMD1 HEC A 107 -9.626 -2.975 3.480 1.00 1.03 H new HETATM 0 HMC3 HEC A 107 -6.153 5.619 6.619 1.00 1.49 H new HETATM 0 HMC2 HEC A 107 -6.940 6.243 5.150 1.00 1.49 H new HETATM 0 HMC1 HEC A 107 -7.920 5.512 6.443 1.00 1.49 H new HETATM 0 HMB3 HEC A 107 0.773 3.389 2.308 1.00 1.91 H new HETATM 0 HMB2 HEC A 107 -0.050 4.145 0.923 1.00 1.91 H new HETATM 0 HMB1 HEC A 107 0.332 5.112 2.367 1.00 1.91 H new HETATM 0 HMA3 HEC A 107 0.241 -1.817 0.447 1.00 1.31 H new HETATM 0 HMA2 HEC A 107 -0.348 -1.039 -1.041 1.00 1.31 H new HETATM 0 HMA1 HEC A 107 0.294 -0.045 0.288 1.00 1.31 H new HETATM 0 HBD2 HEC A 107 -7.465 -2.003 -0.382 1.00 2.40 H new HETATM 0 HBD1 HEC A 107 -8.604 -3.299 -0.692 1.00 2.40 H new HETATM 0 HBC3 HEC A 107 -9.582 4.972 6.172 1.00 1.28 H new HETATM 0 HBC2 HEC A 107 -10.389 3.832 5.070 1.00 1.28 H new HETATM 0 HBC1 HEC A 107 -10.786 3.826 6.805 1.00 1.28 H new HETATM 0 HBB3 HEC A 107 -0.964 6.794 2.365 1.00 1.90 H new HETATM 0 HBB2 HEC A 107 -2.665 7.139 2.761 1.00 1.90 H new HETATM 0 HBB1 HEC A 107 -1.360 7.900 3.702 1.00 1.90 H new HETATM 0 HBA2 HEC A 107 -1.101 -3.865 1.304 1.00 1.60 H new HETATM 0 HBA1 HEC A 107 -2.745 -4.407 1.577 1.00 1.60 H new HETATM 0 HAD2 HEC A 107 -7.192 -3.980 1.158 1.00 1.17 H new HETATM 0 HAD1 HEC A 107 -8.796 -3.680 1.797 1.00 1.17 H new HETATM 0 HAA2 HEC A 107 -3.480 -3.447 -0.552 1.00 1.08 H new HETATM 0 HAA1 HEC A 107 -1.831 -3.051 -0.994 1.00 1.08 H new HETATM 0 HHD HEC A 107 -8.842 0.613 4.808 1.00 0.99 H new HETATM 0 HHC HEC A 107 -4.453 5.402 4.634 1.00 1.38 H new HETATM 0 HHB HEC A 107 -0.484 1.544 1.262 1.00 1.36 H new HETATM 0 HHA HEC A 107 -5.139 -2.933 0.872 1.00 0.95 H new HETATM 0 H2D HEC A 107 -10.727 -2.746 -0.422 1.00 4.87 H new