USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 869 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 GLN : amide:sc= 0.536 K(o=1.2,f=-1.3) USER MOD Set 1.2: A 39 SER OG : rot 180:sc= 0.641 USER MOD Set 2.1: A 19 GLN : amide:sc= -0.272 X(o=-1.1,f=-0.62) USER MOD Set 2.2: A 70 GLN : amide:sc= -0.811 K(o=-1.1,f=-1.9) USER MOD Set 3.1: A 18 SER OG : rot -76:sc= 1.83 USER MOD Set 3.2: A 40 TYR OH : rot -10:sc= -0.291 USER MOD Set 3.3: A 71 THR OG1 : rot 56:sc= -0.948! USER MOD Set 3.4: A 74 ASN : amide:sc= -0.0157 K(o=0.57,f=-0.16) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.0809 (180deg=-0.0809) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -146:sc= 0.209 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.852 K(o=-0.85,f=-4.7!) USER MOD Single : A 20 SER OG : rot 76:sc= 0.881 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 35 GLN : amide:sc= -0.0138 X(o=-0.014,f=-0.27) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 43 SER OG : rot 69:sc= 1.13 USER MOD Single : A 46 THR OG1 : rot 69:sc= 1.03 USER MOD Single : A 48 MET CE :methyl -120:sc= -1.06 (180deg=-3.86!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.393 X(o=-0.39,f=0) USER MOD Single : A 52 THR OG1 : rot 156:sc= -0.664 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.261 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.345 K(o=0.35,f=-3.8!) USER MOD Single : A 63 MET CE :methyl -174:sc= -0.887 (180deg=-0.961) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -142:sc= 0.0358 (180deg=-0.532) USER MOD Single : A 76 GLN : amide:sc= -0.426 X(o=-0.43,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -111:sc= 0.599 (180deg=-0.146) USER MOD Single : A 95 GLN : amide:sc= -0.461 X(o=-0.46,f=0) USER MOD Single : A 96 SER OG : rot -11:sc= 0.774 USER MOD Single : A 97 THR OG1 : rot 46:sc= 0.387 USER MOD Single : A 99 GLN : amide:sc=-0.00245 X(o=-0.0025,f=-0.16) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot -151:sc= 1.02 USER MOD Single : A 103 ASN : amide:sc=-0.00101 K(o=-0.001,f=-0.86) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.617 3.189 21.308 1.00 21.02 N ATOM 2 CA MET A 1 1.747 2.533 19.979 1.00 73.25 C ATOM 3 C MET A 1 0.907 3.273 18.898 1.00 54.14 C ATOM 4 O MET A 1 0.913 2.861 17.742 1.00 44.54 O ATOM 5 CB MET A 1 1.335 1.024 20.086 1.00 32.14 C ATOM 6 CG MET A 1 1.576 0.190 18.814 1.00 70.13 C ATOM 7 SD MET A 1 0.913 -1.481 18.893 1.00 54.23 S ATOM 8 CE MET A 1 1.114 -2.015 17.188 1.00 24.44 C ATOM 0 H1 MET A 1 2.188 2.673 22.007 1.00 21.02 H new ATOM 0 H2 MET A 1 1.952 4.171 21.244 1.00 21.02 H new ATOM 0 H3 MET A 1 0.620 3.182 21.603 1.00 21.02 H new ATOM 0 HA MET A 1 2.790 2.587 19.666 1.00 73.25 H new ATOM 0 HB2 MET A 1 1.887 0.570 20.909 1.00 32.14 H new ATOM 0 HB3 MET A 1 0.277 0.969 20.343 1.00 32.14 H new ATOM 0 HG2 MET A 1 1.130 0.706 17.964 1.00 70.13 H new ATOM 0 HG3 MET A 1 2.648 0.135 18.626 1.00 70.13 H new ATOM 0 HE1 MET A 1 0.746 -3.035 17.081 1.00 24.44 H new ATOM 0 HE2 MET A 1 0.549 -1.354 16.531 1.00 24.44 H new ATOM 0 HE3 MET A 1 2.169 -1.979 16.918 1.00 24.44 H new ATOM 20 N THR A 2 0.230 4.398 19.265 1.00 51.45 N ATOM 21 CA THR A 2 -0.711 5.136 18.365 1.00 71.24 C ATOM 22 C THR A 2 -0.142 5.389 16.942 1.00 22.35 C ATOM 23 O THR A 2 -0.868 5.262 15.951 1.00 72.24 O ATOM 24 CB THR A 2 -1.144 6.500 19.007 1.00 50.03 C ATOM 25 OG1 THR A 2 0.020 7.227 19.429 1.00 23.23 O ATOM 26 CG2 THR A 2 -2.083 6.300 20.210 1.00 53.25 C ATOM 0 H THR A 2 0.319 4.820 20.190 1.00 51.45 H new ATOM 0 HA THR A 2 -1.578 4.485 18.251 1.00 71.24 H new ATOM 0 HB THR A 2 -1.687 7.062 18.248 1.00 50.03 H new ATOM 0 HG1 THR A 2 -0.253 8.079 19.828 1.00 23.23 H new ATOM 0 HG21 THR A 2 -2.357 7.271 20.623 1.00 53.25 H new ATOM 0 HG22 THR A 2 -2.982 5.776 19.886 1.00 53.25 H new ATOM 0 HG23 THR A 2 -1.575 5.711 20.974 1.00 53.25 H new ATOM 34 N SER A 3 1.163 5.709 16.864 1.00 12.10 N ATOM 35 CA SER A 3 1.864 5.946 15.585 1.00 73.11 C ATOM 36 C SER A 3 1.927 4.664 14.730 1.00 45.13 C ATOM 37 O SER A 3 1.657 4.700 13.528 1.00 61.13 O ATOM 38 CB SER A 3 3.286 6.474 15.857 1.00 61.12 C ATOM 39 OG SER A 3 3.244 7.591 16.721 1.00 12.53 O ATOM 0 H SER A 3 1.762 5.811 17.684 1.00 12.10 H new ATOM 0 HA SER A 3 1.301 6.692 15.024 1.00 73.11 H new ATOM 0 HB2 SER A 3 3.894 5.686 16.302 1.00 61.12 H new ATOM 0 HB3 SER A 3 3.763 6.752 14.917 1.00 61.12 H new ATOM 0 HG SER A 3 4.155 7.913 16.885 1.00 12.53 H new ATOM 45 N THR A 4 2.279 3.536 15.377 1.00 54.55 N ATOM 46 CA THR A 4 2.388 2.221 14.715 1.00 65.32 C ATOM 47 C THR A 4 1.007 1.658 14.329 1.00 61.15 C ATOM 48 O THR A 4 0.864 1.051 13.278 1.00 11.12 O ATOM 49 CB THR A 4 3.139 1.188 15.617 1.00 31.04 C ATOM 50 OG1 THR A 4 4.288 1.805 16.218 1.00 63.12 O ATOM 51 CG2 THR A 4 3.595 -0.051 14.820 1.00 24.22 C ATOM 0 H THR A 4 2.496 3.511 16.373 1.00 54.55 H new ATOM 0 HA THR A 4 2.964 2.380 13.804 1.00 65.32 H new ATOM 0 HB THR A 4 2.438 0.861 16.386 1.00 31.04 H new ATOM 0 HG1 THR A 4 5.003 1.142 16.312 1.00 63.12 H new ATOM 0 HG21 THR A 4 4.112 -0.742 15.486 1.00 24.22 H new ATOM 0 HG22 THR A 4 2.725 -0.546 14.388 1.00 24.22 H new ATOM 0 HG23 THR A 4 4.270 0.258 14.022 1.00 24.22 H new ATOM 59 N VAL A 5 -0.002 1.886 15.190 1.00 71.32 N ATOM 60 CA VAL A 5 -1.388 1.440 14.949 1.00 74.31 C ATOM 61 C VAL A 5 -1.939 2.117 13.685 1.00 33.24 C ATOM 62 O VAL A 5 -2.490 1.447 12.805 1.00 71.40 O ATOM 63 CB VAL A 5 -2.314 1.731 16.193 1.00 13.45 C ATOM 64 CG1 VAL A 5 -3.807 1.458 15.881 1.00 52.15 C ATOM 65 CG2 VAL A 5 -1.853 0.906 17.416 1.00 72.03 C ATOM 0 H VAL A 5 0.120 2.384 16.072 1.00 71.32 H new ATOM 0 HA VAL A 5 -1.381 0.360 14.799 1.00 74.31 H new ATOM 0 HB VAL A 5 -2.221 2.791 16.428 1.00 13.45 H new ATOM 0 HG11 VAL A 5 -4.408 1.671 16.765 1.00 52.15 H new ATOM 0 HG12 VAL A 5 -4.130 2.097 15.059 1.00 52.15 H new ATOM 0 HG13 VAL A 5 -3.935 0.413 15.599 1.00 52.15 H new ATOM 0 HG21 VAL A 5 -2.503 1.119 18.265 1.00 72.03 H new ATOM 0 HG22 VAL A 5 -1.904 -0.157 17.178 1.00 72.03 H new ATOM 0 HG23 VAL A 5 -0.827 1.173 17.669 1.00 72.03 H new ATOM 75 N GLU A 6 -1.743 3.448 13.600 1.00 4.22 N ATOM 76 CA GLU A 6 -2.054 4.229 12.390 1.00 23.42 C ATOM 77 C GLU A 6 -1.291 3.682 11.172 1.00 53.51 C ATOM 78 O GLU A 6 -1.901 3.347 10.169 1.00 32.20 O ATOM 79 CB GLU A 6 -1.730 5.732 12.602 1.00 51.30 C ATOM 80 CG GLU A 6 -2.751 6.494 13.466 1.00 44.12 C ATOM 81 CD GLU A 6 -4.151 6.565 12.822 1.00 2.42 C ATOM 82 OE1 GLU A 6 -4.313 7.298 11.819 1.00 12.34 O ATOM 83 OE2 GLU A 6 -5.084 5.890 13.308 1.00 14.53 O ATOM 0 H GLU A 6 -1.367 4.008 14.365 1.00 4.22 H new ATOM 0 HA GLU A 6 -3.122 4.133 12.197 1.00 23.42 H new ATOM 0 HB2 GLU A 6 -0.747 5.816 13.066 1.00 51.30 H new ATOM 0 HB3 GLU A 6 -1.665 6.217 11.628 1.00 51.30 H new ATOM 0 HG2 GLU A 6 -2.829 6.009 14.439 1.00 44.12 H new ATOM 0 HG3 GLU A 6 -2.386 7.506 13.642 1.00 44.12 H new ATOM 90 N PHE A 7 0.029 3.532 11.332 1.00 20.03 N ATOM 91 CA PHE A 7 0.958 3.147 10.250 1.00 62.03 C ATOM 92 C PHE A 7 0.560 1.795 9.601 1.00 24.54 C ATOM 93 O PHE A 7 0.421 1.709 8.373 1.00 72.52 O ATOM 94 CB PHE A 7 2.401 3.087 10.823 1.00 24.51 C ATOM 95 CG PHE A 7 3.519 3.018 9.785 1.00 43.03 C ATOM 96 CD1 PHE A 7 3.840 4.141 9.021 1.00 20.23 C ATOM 97 CD2 PHE A 7 4.272 1.856 9.600 1.00 20.20 C ATOM 98 CE1 PHE A 7 4.872 4.106 8.106 1.00 3.41 C ATOM 99 CE2 PHE A 7 5.299 1.821 8.681 1.00 34.11 C ATOM 100 CZ PHE A 7 5.602 2.949 7.937 1.00 72.34 C ATOM 0 H PHE A 7 0.494 3.676 12.228 1.00 20.03 H new ATOM 0 HA PHE A 7 0.908 3.897 9.461 1.00 62.03 H new ATOM 0 HB2 PHE A 7 2.562 3.966 11.447 1.00 24.51 H new ATOM 0 HB3 PHE A 7 2.479 2.216 11.474 1.00 24.51 H new ATOM 0 HD1 PHE A 7 3.272 5.051 9.148 1.00 20.23 H new ATOM 0 HD2 PHE A 7 4.047 0.975 10.183 1.00 20.20 H new ATOM 0 HE1 PHE A 7 5.108 4.984 7.523 1.00 3.41 H new ATOM 0 HE2 PHE A 7 5.868 0.913 8.541 1.00 34.11 H new ATOM 0 HZ PHE A 7 6.412 2.922 7.223 1.00 72.34 H new ATOM 110 N ILE A 8 0.335 0.770 10.453 1.00 50.44 N ATOM 111 CA ILE A 8 -0.108 -0.577 10.028 1.00 0.43 C ATOM 112 C ILE A 8 -1.489 -0.495 9.353 1.00 51.32 C ATOM 113 O ILE A 8 -1.679 -1.065 8.288 1.00 71.35 O ATOM 114 CB ILE A 8 -0.189 -1.595 11.238 1.00 32.34 C ATOM 115 CG1 ILE A 8 1.200 -1.773 11.925 1.00 24.23 C ATOM 116 CG2 ILE A 8 -0.753 -2.976 10.784 1.00 52.04 C ATOM 117 CD1 ILE A 8 1.165 -2.630 13.178 1.00 33.51 C ATOM 0 H ILE A 8 0.457 0.855 11.462 1.00 50.44 H new ATOM 0 HA ILE A 8 0.638 -0.945 9.324 1.00 0.43 H new ATOM 0 HB ILE A 8 -0.878 -1.171 11.969 1.00 32.34 H new ATOM 0 HG12 ILE A 8 1.892 -2.220 11.211 1.00 24.23 H new ATOM 0 HG13 ILE A 8 1.596 -0.790 12.181 1.00 24.23 H new ATOM 0 HG21 ILE A 8 -0.795 -3.651 11.639 1.00 52.04 H new ATOM 0 HG22 ILE A 8 -1.755 -2.844 10.377 1.00 52.04 H new ATOM 0 HG23 ILE A 8 -0.103 -3.400 10.019 1.00 52.04 H new ATOM 0 HD11 ILE A 8 2.169 -2.705 13.596 1.00 33.51 H new ATOM 0 HD12 ILE A 8 0.500 -2.175 13.912 1.00 33.51 H new ATOM 0 HD13 ILE A 8 0.801 -3.626 12.927 1.00 33.51 H new ATOM 129 N ASN A 9 -2.424 0.245 9.982 1.00 73.12 N ATOM 130 CA ASN A 9 -3.829 0.372 9.515 1.00 41.12 C ATOM 131 C ASN A 9 -3.927 1.129 8.177 1.00 12.22 C ATOM 132 O ASN A 9 -4.858 0.908 7.387 1.00 45.02 O ATOM 133 CB ASN A 9 -4.671 1.063 10.603 1.00 51.45 C ATOM 134 CG ASN A 9 -6.169 1.137 10.297 1.00 1.13 C ATOM 135 OD1 ASN A 9 -6.656 2.127 9.744 1.00 41.42 O ATOM 136 ND2 ASN A 9 -6.898 0.076 10.617 1.00 45.41 N ATOM 0 H ASN A 9 -2.230 0.775 10.832 1.00 73.12 H new ATOM 0 HA ASN A 9 -4.221 -0.629 9.337 1.00 41.12 H new ATOM 0 HB2 ASN A 9 -4.531 0.532 11.544 1.00 51.45 H new ATOM 0 HB3 ASN A 9 -4.293 2.075 10.749 1.00 51.45 H new ATOM 0 HD21 ASN A 9 -7.896 0.061 10.406 1.00 45.41 H new ATOM 0 HD22 ASN A 9 -6.461 -0.724 11.074 1.00 45.41 H new ATOM 143 N ARG A 10 -2.954 2.014 7.931 1.00 53.32 N ATOM 144 CA ARG A 10 -2.843 2.745 6.662 1.00 33.43 C ATOM 145 C ARG A 10 -2.281 1.801 5.587 1.00 5.11 C ATOM 146 O ARG A 10 -2.726 1.837 4.449 1.00 62.01 O ATOM 147 CB ARG A 10 -1.956 4.004 6.829 1.00 34.35 C ATOM 148 CG ARG A 10 -2.548 5.086 7.759 1.00 42.10 C ATOM 149 CD ARG A 10 -1.551 6.208 8.099 1.00 52.02 C ATOM 150 NE ARG A 10 -2.054 7.070 9.185 1.00 64.32 N ATOM 151 CZ ARG A 10 -1.373 8.079 9.760 1.00 35.35 C ATOM 152 NH1 ARG A 10 -0.138 8.396 9.368 1.00 42.42 N ATOM 153 NH2 ARG A 10 -1.938 8.765 10.740 1.00 63.32 N ATOM 0 H ARG A 10 -2.223 2.244 8.604 1.00 53.32 H new ATOM 0 HA ARG A 10 -3.830 3.087 6.350 1.00 33.43 H new ATOM 0 HB2 ARG A 10 -0.985 3.700 7.219 1.00 34.35 H new ATOM 0 HB3 ARG A 10 -1.782 4.443 5.847 1.00 34.35 H new ATOM 0 HG2 ARG A 10 -3.427 5.522 7.284 1.00 42.10 H new ATOM 0 HG3 ARG A 10 -2.885 4.616 8.683 1.00 42.10 H new ATOM 0 HD2 ARG A 10 -0.597 5.771 8.393 1.00 52.02 H new ATOM 0 HD3 ARG A 10 -1.365 6.812 7.211 1.00 52.02 H new ATOM 0 HE ARG A 10 -2.996 6.886 9.529 1.00 64.32 H new ATOM 0 HH11 ARG A 10 0.310 7.870 8.618 1.00 42.42 H new ATOM 0 HH12 ARG A 10 0.359 9.165 9.819 1.00 42.42 H new ATOM 0 HH21 ARG A 10 -2.880 8.527 11.052 1.00 63.32 H new ATOM 0 HH22 ARG A 10 -1.432 9.532 11.184 1.00 63.32 H new ATOM 167 N TRP A 11 -1.317 0.937 5.979 1.00 1.44 N ATOM 168 CA TRP A 11 -0.797 -0.146 5.107 1.00 43.32 C ATOM 169 C TRP A 11 -1.862 -1.221 4.840 1.00 0.52 C ATOM 170 O TRP A 11 -1.843 -1.856 3.779 1.00 75.12 O ATOM 171 CB TRP A 11 0.487 -0.800 5.694 1.00 54.50 C ATOM 172 CG TRP A 11 1.740 -0.005 5.429 1.00 4.13 C ATOM 173 CD1 TRP A 11 2.542 0.614 6.341 1.00 11.42 C ATOM 174 CD2 TRP A 11 2.319 0.269 4.141 1.00 71.45 C ATOM 175 NE1 TRP A 11 3.597 1.217 5.710 1.00 23.30 N ATOM 176 CE2 TRP A 11 3.479 1.025 4.361 1.00 35.02 C ATOM 177 CE3 TRP A 11 1.971 -0.063 2.825 1.00 13.34 C ATOM 178 CZ2 TRP A 11 4.297 1.461 3.321 1.00 50.24 C ATOM 179 CZ3 TRP A 11 2.777 0.374 1.794 1.00 4.24 C ATOM 180 CH2 TRP A 11 3.931 1.126 2.050 1.00 43.40 C ATOM 0 H TRP A 11 -0.880 0.968 6.900 1.00 1.44 H new ATOM 0 HA TRP A 11 -0.535 0.322 4.158 1.00 43.32 H new ATOM 0 HB2 TRP A 11 0.364 -0.922 6.770 1.00 54.50 H new ATOM 0 HB3 TRP A 11 0.603 -1.798 5.271 1.00 54.50 H new ATOM 0 HD1 TRP A 11 2.370 0.627 7.407 1.00 11.42 H new ATOM 0 HE1 TRP A 11 4.350 1.727 6.172 1.00 23.30 H new ATOM 0 HE3 TRP A 11 1.088 -0.650 2.621 1.00 13.34 H new ATOM 0 HZ2 TRP A 11 5.187 2.042 3.513 1.00 50.24 H new ATOM 0 HZ3 TRP A 11 2.514 0.133 0.775 1.00 4.24 H new ATOM 0 HH2 TRP A 11 4.545 1.448 1.222 1.00 43.40 H new ATOM 191 N GLN A 12 -2.784 -1.415 5.806 1.00 25.33 N ATOM 192 CA GLN A 12 -3.961 -2.279 5.619 1.00 21.32 C ATOM 193 C GLN A 12 -4.819 -1.660 4.528 1.00 5.22 C ATOM 194 O GLN A 12 -5.163 -2.316 3.557 1.00 1.30 O ATOM 195 CB GLN A 12 -4.807 -2.435 6.921 1.00 25.31 C ATOM 196 CG GLN A 12 -4.095 -3.149 8.077 1.00 2.23 C ATOM 197 CD GLN A 12 -4.996 -3.372 9.291 1.00 13.22 C ATOM 198 OE1 GLN A 12 -5.082 -2.536 10.189 1.00 25.02 O ATOM 199 NE2 GLN A 12 -5.687 -4.497 9.326 1.00 44.25 N ATOM 0 H GLN A 12 -2.732 -0.981 6.727 1.00 25.33 H new ATOM 0 HA GLN A 12 -3.618 -3.277 5.347 1.00 21.32 H new ATOM 0 HB2 GLN A 12 -5.112 -1.444 7.259 1.00 25.31 H new ATOM 0 HB3 GLN A 12 -5.717 -2.984 6.681 1.00 25.31 H new ATOM 0 HG2 GLN A 12 -3.723 -4.112 7.727 1.00 2.23 H new ATOM 0 HG3 GLN A 12 -3.227 -2.562 8.379 1.00 2.23 H new ATOM 0 HE21 GLN A 12 -5.598 -5.174 8.568 1.00 44.25 H new ATOM 0 HE22 GLN A 12 -6.310 -4.689 10.111 1.00 44.25 H new ATOM 208 N ARG A 13 -5.077 -0.351 4.683 1.00 74.01 N ATOM 209 CA ARG A 13 -5.946 0.408 3.786 1.00 24.32 C ATOM 210 C ARG A 13 -5.403 0.403 2.336 1.00 14.02 C ATOM 211 O ARG A 13 -6.164 0.174 1.414 1.00 34.52 O ATOM 212 CB ARG A 13 -6.139 1.856 4.309 1.00 14.31 C ATOM 213 CG ARG A 13 -7.233 2.644 3.560 1.00 31.20 C ATOM 214 CD ARG A 13 -7.458 4.062 4.105 1.00 31.11 C ATOM 215 NE ARG A 13 -8.552 4.747 3.393 1.00 32.41 N ATOM 216 CZ ARG A 13 -8.642 6.068 3.166 1.00 41.10 C ATOM 217 NH1 ARG A 13 -7.691 6.916 3.578 1.00 42.22 N ATOM 218 NH2 ARG A 13 -9.700 6.545 2.529 1.00 20.25 N ATOM 0 H ARG A 13 -4.684 0.208 5.440 1.00 74.01 H new ATOM 0 HA ARG A 13 -6.921 -0.080 3.769 1.00 24.32 H new ATOM 0 HB2 ARG A 13 -6.391 1.820 5.369 1.00 14.31 H new ATOM 0 HB3 ARG A 13 -5.194 2.393 4.224 1.00 14.31 H new ATOM 0 HG2 ARG A 13 -6.964 2.708 2.506 1.00 31.20 H new ATOM 0 HG3 ARG A 13 -8.170 2.090 3.617 1.00 31.20 H new ATOM 0 HD2 ARG A 13 -7.690 4.011 5.169 1.00 31.11 H new ATOM 0 HD3 ARG A 13 -6.540 4.641 4.006 1.00 31.11 H new ATOM 0 HE ARG A 13 -9.311 4.164 3.040 1.00 32.41 H new ATOM 0 HH11 ARG A 13 -6.874 6.563 4.077 1.00 42.22 H new ATOM 0 HH12 ARG A 13 -7.783 7.915 3.393 1.00 42.22 H new ATOM 0 HH21 ARG A 13 -10.436 5.911 2.216 1.00 20.25 H new ATOM 0 HH22 ARG A 13 -9.780 7.546 2.351 1.00 20.25 H new ATOM 232 N ILE A 14 -4.074 0.594 2.161 1.00 30.32 N ATOM 233 CA ILE A 14 -3.430 0.584 0.821 1.00 62.13 C ATOM 234 C ILE A 14 -3.514 -0.836 0.206 1.00 44.20 C ATOM 235 O ILE A 14 -3.943 -0.992 -0.943 1.00 25.14 O ATOM 236 CB ILE A 14 -1.920 1.053 0.873 1.00 31.42 C ATOM 237 CG1 ILE A 14 -1.773 2.455 1.529 1.00 43.23 C ATOM 238 CG2 ILE A 14 -1.282 1.083 -0.538 1.00 51.41 C ATOM 239 CD1 ILE A 14 -0.331 2.896 1.717 1.00 23.05 C ATOM 0 H ILE A 14 -3.424 0.757 2.930 1.00 30.32 H new ATOM 0 HA ILE A 14 -3.972 1.295 0.198 1.00 62.13 H new ATOM 0 HB ILE A 14 -1.394 0.320 1.485 1.00 31.42 H new ATOM 0 HG12 ILE A 14 -2.291 3.190 0.913 1.00 43.23 H new ATOM 0 HG13 ILE A 14 -2.270 2.446 2.499 1.00 43.23 H new ATOM 0 HG21 ILE A 14 -0.245 1.410 -0.462 1.00 51.41 H new ATOM 0 HG22 ILE A 14 -1.317 0.085 -0.974 1.00 51.41 H new ATOM 0 HG23 ILE A 14 -1.835 1.776 -1.173 1.00 51.41 H new ATOM 0 HD11 ILE A 14 -0.310 3.883 2.180 1.00 23.05 H new ATOM 0 HD12 ILE A 14 0.187 2.183 2.359 1.00 23.05 H new ATOM 0 HD13 ILE A 14 0.166 2.939 0.748 1.00 23.05 H new ATOM 251 N ALA A 15 -3.158 -1.859 1.018 1.00 60.54 N ATOM 252 CA ALA A 15 -3.164 -3.286 0.604 1.00 31.54 C ATOM 253 C ALA A 15 -4.565 -3.744 0.142 1.00 41.30 C ATOM 254 O ALA A 15 -4.721 -4.393 -0.904 1.00 43.42 O ATOM 255 CB ALA A 15 -2.670 -4.162 1.772 1.00 22.34 C ATOM 0 H ALA A 15 -2.857 -1.719 1.983 1.00 60.54 H new ATOM 0 HA ALA A 15 -2.492 -3.396 -0.247 1.00 31.54 H new ATOM 0 HB1 ALA A 15 -2.674 -5.209 1.469 1.00 22.34 H new ATOM 0 HB2 ALA A 15 -1.657 -3.867 2.045 1.00 22.34 H new ATOM 0 HB3 ALA A 15 -3.329 -4.030 2.630 1.00 22.34 H new ATOM 261 N LEU A 16 -5.568 -3.333 0.919 1.00 55.42 N ATOM 262 CA LEU A 16 -6.977 -3.762 0.750 1.00 51.44 C ATOM 263 C LEU A 16 -7.680 -2.940 -0.350 1.00 4.31 C ATOM 264 O LEU A 16 -8.536 -3.473 -1.068 1.00 53.44 O ATOM 265 CB LEU A 16 -7.748 -3.646 2.100 1.00 14.20 C ATOM 266 CG LEU A 16 -7.246 -4.559 3.276 1.00 5.02 C ATOM 267 CD1 LEU A 16 -8.010 -4.261 4.588 1.00 34.14 C ATOM 268 CD2 LEU A 16 -7.319 -6.057 2.913 1.00 52.11 C ATOM 0 H LEU A 16 -5.434 -2.685 1.695 1.00 55.42 H new ATOM 0 HA LEU A 16 -6.977 -4.807 0.439 1.00 51.44 H new ATOM 0 HB2 LEU A 16 -7.702 -2.608 2.431 1.00 14.20 H new ATOM 0 HB3 LEU A 16 -8.797 -3.875 1.914 1.00 14.20 H new ATOM 0 HG LEU A 16 -6.196 -4.319 3.442 1.00 5.02 H new ATOM 0 HD11 LEU A 16 -7.638 -4.910 5.381 1.00 34.14 H new ATOM 0 HD12 LEU A 16 -7.857 -3.219 4.870 1.00 34.14 H new ATOM 0 HD13 LEU A 16 -9.074 -4.444 4.439 1.00 34.14 H new ATOM 0 HD21 LEU A 16 -6.963 -6.653 3.753 1.00 52.11 H new ATOM 0 HD22 LEU A 16 -8.351 -6.327 2.688 1.00 52.11 H new ATOM 0 HD23 LEU A 16 -6.695 -6.251 2.041 1.00 52.11 H new ATOM 280 N LEU A 17 -7.319 -1.638 -0.474 1.00 73.53 N ATOM 281 CA LEU A 17 -7.850 -0.754 -1.544 1.00 3.51 C ATOM 282 C LEU A 17 -7.372 -1.258 -2.912 1.00 50.25 C ATOM 283 O LEU A 17 -8.190 -1.497 -3.783 1.00 53.41 O ATOM 284 CB LEU A 17 -7.454 0.756 -1.352 1.00 75.23 C ATOM 285 CG LEU A 17 -8.312 1.588 -0.337 1.00 33.34 C ATOM 286 CD1 LEU A 17 -7.759 3.021 -0.179 1.00 5.44 C ATOM 287 CD2 LEU A 17 -9.795 1.620 -0.756 1.00 63.22 C ATOM 0 H LEU A 17 -6.662 -1.176 0.154 1.00 73.53 H new ATOM 0 HA LEU A 17 -8.938 -0.797 -1.485 1.00 3.51 H new ATOM 0 HB2 LEU A 17 -6.413 0.796 -1.030 1.00 75.23 H new ATOM 0 HB3 LEU A 17 -7.506 1.247 -2.324 1.00 75.23 H new ATOM 0 HG LEU A 17 -8.245 1.092 0.631 1.00 33.34 H new ATOM 0 HD11 LEU A 17 -8.375 3.573 0.531 1.00 5.44 H new ATOM 0 HD12 LEU A 17 -6.734 2.977 0.188 1.00 5.44 H new ATOM 0 HD13 LEU A 17 -7.777 3.527 -1.145 1.00 5.44 H new ATOM 0 HD21 LEU A 17 -10.365 2.204 -0.033 1.00 63.22 H new ATOM 0 HD22 LEU A 17 -9.885 2.076 -1.742 1.00 63.22 H new ATOM 0 HD23 LEU A 17 -10.186 0.603 -0.789 1.00 63.22 H new ATOM 299 N SER A 18 -6.051 -1.469 -3.050 1.00 61.21 N ATOM 300 CA SER A 18 -5.429 -1.943 -4.306 1.00 11.03 C ATOM 301 C SER A 18 -5.919 -3.357 -4.683 1.00 70.33 C ATOM 302 O SER A 18 -6.093 -3.661 -5.869 1.00 54.03 O ATOM 303 CB SER A 18 -3.899 -1.949 -4.163 1.00 24.43 C ATOM 304 OG SER A 18 -3.494 -2.813 -3.112 1.00 24.41 O ATOM 0 H SER A 18 -5.382 -1.317 -2.296 1.00 61.21 H new ATOM 0 HA SER A 18 -5.723 -1.259 -5.102 1.00 11.03 H new ATOM 0 HB2 SER A 18 -3.443 -2.270 -5.100 1.00 24.43 H new ATOM 0 HB3 SER A 18 -3.544 -0.938 -3.966 1.00 24.43 H new ATOM 0 HG SER A 18 -3.669 -2.383 -2.249 1.00 24.41 H new ATOM 310 N GLN A 19 -6.112 -4.215 -3.653 1.00 74.40 N ATOM 311 CA GLN A 19 -6.705 -5.556 -3.825 1.00 75.42 C ATOM 312 C GLN A 19 -8.108 -5.451 -4.441 1.00 5.53 C ATOM 313 O GLN A 19 -8.409 -6.104 -5.457 1.00 70.53 O ATOM 314 CB GLN A 19 -6.777 -6.290 -2.461 1.00 24.01 C ATOM 315 CG GLN A 19 -7.217 -7.759 -2.542 1.00 54.25 C ATOM 316 CD GLN A 19 -6.233 -8.631 -3.323 1.00 32.32 C ATOM 317 OE1 GLN A 19 -6.352 -8.796 -4.540 1.00 3.50 O ATOM 318 NE2 GLN A 19 -5.234 -9.166 -2.633 1.00 41.44 N ATOM 0 H GLN A 19 -5.862 -3.996 -2.689 1.00 74.40 H new ATOM 0 HA GLN A 19 -6.070 -6.128 -4.502 1.00 75.42 H new ATOM 0 HB2 GLN A 19 -5.796 -6.245 -1.988 1.00 24.01 H new ATOM 0 HB3 GLN A 19 -7.469 -5.753 -1.812 1.00 24.01 H new ATOM 0 HG2 GLN A 19 -7.326 -8.157 -1.533 1.00 54.25 H new ATOM 0 HG3 GLN A 19 -8.198 -7.814 -3.014 1.00 54.25 H new ATOM 0 HE21 GLN A 19 -5.167 -9.009 -1.627 1.00 41.44 H new ATOM 0 HE22 GLN A 19 -4.533 -9.735 -3.108 1.00 41.44 H new ATOM 327 N SER A 20 -8.938 -4.577 -3.833 1.00 44.14 N ATOM 328 CA SER A 20 -10.295 -4.292 -4.318 1.00 34.22 C ATOM 329 C SER A 20 -10.244 -3.782 -5.760 1.00 3.32 C ATOM 330 O SER A 20 -10.889 -4.340 -6.614 1.00 52.23 O ATOM 331 CB SER A 20 -11.013 -3.258 -3.415 1.00 61.10 C ATOM 332 OG SER A 20 -11.177 -3.757 -2.095 1.00 63.33 O ATOM 0 H SER A 20 -8.683 -4.054 -2.996 1.00 44.14 H new ATOM 0 HA SER A 20 -10.864 -5.221 -4.284 1.00 34.22 H new ATOM 0 HB2 SER A 20 -10.438 -2.333 -3.388 1.00 61.10 H new ATOM 0 HB3 SER A 20 -11.987 -3.015 -3.839 1.00 61.10 H new ATOM 0 HG SER A 20 -10.320 -3.716 -1.621 1.00 63.33 H new ATOM 338 N LEU A 21 -9.382 -2.784 -6.014 1.00 24.44 N ATOM 339 CA LEU A 21 -9.269 -2.111 -7.321 1.00 33.35 C ATOM 340 C LEU A 21 -8.809 -3.092 -8.422 1.00 3.44 C ATOM 341 O LEU A 21 -9.184 -2.936 -9.586 1.00 55.01 O ATOM 342 CB LEU A 21 -8.295 -0.899 -7.235 1.00 2.21 C ATOM 343 CG LEU A 21 -8.705 0.270 -6.279 1.00 73.05 C ATOM 344 CD1 LEU A 21 -7.644 1.398 -6.276 1.00 71.41 C ATOM 345 CD2 LEU A 21 -10.110 0.808 -6.613 1.00 11.44 C ATOM 0 H LEU A 21 -8.738 -2.418 -5.313 1.00 24.44 H new ATOM 0 HA LEU A 21 -10.260 -1.744 -7.589 1.00 33.35 H new ATOM 0 HB2 LEU A 21 -7.319 -1.269 -6.920 1.00 2.21 H new ATOM 0 HB3 LEU A 21 -8.172 -0.490 -8.238 1.00 2.21 H new ATOM 0 HG LEU A 21 -8.748 -0.135 -5.268 1.00 73.05 H new ATOM 0 HD11 LEU A 21 -7.961 2.194 -5.602 1.00 71.41 H new ATOM 0 HD12 LEU A 21 -6.688 0.997 -5.940 1.00 71.41 H new ATOM 0 HD13 LEU A 21 -7.536 1.798 -7.284 1.00 71.41 H new ATOM 0 HD21 LEU A 21 -10.361 1.619 -5.929 1.00 11.44 H new ATOM 0 HD22 LEU A 21 -10.123 1.180 -7.637 1.00 11.44 H new ATOM 0 HD23 LEU A 21 -10.841 0.006 -6.509 1.00 11.44 H new ATOM 357 N LEU A 22 -8.020 -4.113 -8.029 1.00 43.33 N ATOM 358 CA LEU A 22 -7.553 -5.170 -8.948 1.00 62.03 C ATOM 359 C LEU A 22 -8.735 -6.052 -9.389 1.00 24.43 C ATOM 360 O LEU A 22 -9.004 -6.203 -10.602 1.00 1.13 O ATOM 361 CB LEU A 22 -6.449 -6.028 -8.276 1.00 33.34 C ATOM 362 CG LEU A 22 -5.890 -7.218 -9.120 1.00 5.13 C ATOM 363 CD1 LEU A 22 -5.284 -6.732 -10.458 1.00 5.32 C ATOM 364 CD2 LEU A 22 -4.872 -8.032 -8.296 1.00 4.42 C ATOM 0 H LEU A 22 -7.690 -4.227 -7.071 1.00 43.33 H new ATOM 0 HA LEU A 22 -7.125 -4.698 -9.832 1.00 62.03 H new ATOM 0 HB2 LEU A 22 -5.618 -5.373 -8.015 1.00 33.34 H new ATOM 0 HB3 LEU A 22 -6.846 -6.427 -7.343 1.00 33.34 H new ATOM 0 HG LEU A 22 -6.722 -7.875 -9.372 1.00 5.13 H new ATOM 0 HD11 LEU A 22 -4.905 -7.587 -11.018 1.00 5.32 H new ATOM 0 HD12 LEU A 22 -6.052 -6.227 -11.043 1.00 5.32 H new ATOM 0 HD13 LEU A 22 -4.467 -6.039 -10.257 1.00 5.32 H new ATOM 0 HD21 LEU A 22 -4.493 -8.857 -8.899 1.00 4.42 H new ATOM 0 HD22 LEU A 22 -4.044 -7.387 -8.001 1.00 4.42 H new ATOM 0 HD23 LEU A 22 -5.359 -8.428 -7.405 1.00 4.42 H new ATOM 376 N GLU A 23 -9.457 -6.579 -8.376 1.00 22.54 N ATOM 377 CA GLU A 23 -10.657 -7.412 -8.580 1.00 75.33 C ATOM 378 C GLU A 23 -11.683 -6.656 -9.445 1.00 50.12 C ATOM 379 O GLU A 23 -12.113 -7.153 -10.474 1.00 50.53 O ATOM 380 CB GLU A 23 -11.297 -7.776 -7.218 1.00 11.34 C ATOM 381 CG GLU A 23 -10.405 -8.574 -6.258 1.00 51.31 C ATOM 382 CD GLU A 23 -11.101 -8.836 -4.914 1.00 53.44 C ATOM 383 OE1 GLU A 23 -11.063 -7.952 -4.028 1.00 65.41 O ATOM 384 OE2 GLU A 23 -11.748 -9.896 -4.758 1.00 1.20 O ATOM 0 H GLU A 23 -9.222 -6.437 -7.394 1.00 22.54 H new ATOM 0 HA GLU A 23 -10.360 -8.328 -9.090 1.00 75.33 H new ATOM 0 HB2 GLU A 23 -11.601 -6.854 -6.722 1.00 11.34 H new ATOM 0 HB3 GLU A 23 -12.204 -8.351 -7.405 1.00 11.34 H new ATOM 0 HG2 GLU A 23 -10.135 -9.524 -6.718 1.00 51.31 H new ATOM 0 HG3 GLU A 23 -9.477 -8.028 -6.086 1.00 51.31 H new ATOM 391 N LEU A 24 -11.972 -5.414 -9.021 1.00 14.24 N ATOM 392 CA LEU A 24 -12.970 -4.513 -9.631 1.00 61.45 C ATOM 393 C LEU A 24 -12.626 -4.197 -11.099 1.00 30.23 C ATOM 394 O LEU A 24 -13.517 -4.165 -11.944 1.00 53.11 O ATOM 395 CB LEU A 24 -13.090 -3.197 -8.800 1.00 11.35 C ATOM 396 CG LEU A 24 -13.651 -3.354 -7.351 1.00 20.02 C ATOM 397 CD1 LEU A 24 -13.544 -2.035 -6.557 1.00 72.10 C ATOM 398 CD2 LEU A 24 -15.088 -3.906 -7.355 1.00 42.23 C ATOM 0 H LEU A 24 -11.503 -4.994 -8.218 1.00 14.24 H new ATOM 0 HA LEU A 24 -13.932 -5.025 -9.622 1.00 61.45 H new ATOM 0 HB2 LEU A 24 -12.103 -2.737 -8.739 1.00 11.35 H new ATOM 0 HB3 LEU A 24 -13.732 -2.504 -9.344 1.00 11.35 H new ATOM 0 HG LEU A 24 -13.029 -4.089 -6.839 1.00 20.02 H new ATOM 0 HD11 LEU A 24 -13.944 -2.181 -5.553 1.00 72.10 H new ATOM 0 HD12 LEU A 24 -12.499 -1.734 -6.491 1.00 72.10 H new ATOM 0 HD13 LEU A 24 -14.114 -1.257 -7.065 1.00 72.10 H new ATOM 0 HD21 LEU A 24 -15.444 -4.001 -6.329 1.00 42.23 H new ATOM 0 HD22 LEU A 24 -15.738 -3.224 -7.903 1.00 42.23 H new ATOM 0 HD23 LEU A 24 -15.101 -4.884 -7.836 1.00 42.23 H new ATOM 410 N ALA A 25 -11.327 -3.996 -11.387 1.00 4.31 N ATOM 411 CA ALA A 25 -10.830 -3.765 -12.763 1.00 43.54 C ATOM 412 C ALA A 25 -11.165 -4.954 -13.670 1.00 23.41 C ATOM 413 O ALA A 25 -11.729 -4.787 -14.758 1.00 14.30 O ATOM 414 CB ALA A 25 -9.316 -3.529 -12.754 1.00 4.12 C ATOM 0 H ALA A 25 -10.593 -3.988 -10.679 1.00 4.31 H new ATOM 0 HA ALA A 25 -11.326 -2.877 -13.155 1.00 43.54 H new ATOM 0 HB1 ALA A 25 -8.968 -3.361 -13.773 1.00 4.12 H new ATOM 0 HB2 ALA A 25 -9.088 -2.655 -12.144 1.00 4.12 H new ATOM 0 HB3 ALA A 25 -8.814 -4.403 -12.339 1.00 4.12 H new ATOM 420 N GLN A 26 -10.845 -6.156 -13.167 1.00 64.23 N ATOM 421 CA GLN A 26 -11.105 -7.429 -13.870 1.00 21.42 C ATOM 422 C GLN A 26 -12.626 -7.709 -14.003 1.00 51.23 C ATOM 423 O GLN A 26 -13.066 -8.323 -14.980 1.00 40.23 O ATOM 424 CB GLN A 26 -10.380 -8.574 -13.120 1.00 65.40 C ATOM 425 CG GLN A 26 -8.844 -8.391 -13.054 1.00 41.53 C ATOM 426 CD GLN A 26 -8.137 -9.404 -12.151 1.00 5.24 C ATOM 427 OE1 GLN A 26 -8.705 -9.885 -11.167 1.00 13.34 O ATOM 428 NE2 GLN A 26 -6.888 -9.723 -12.459 1.00 21.23 N ATOM 0 H GLN A 26 -10.397 -6.277 -12.259 1.00 64.23 H new ATOM 0 HA GLN A 26 -10.715 -7.362 -14.886 1.00 21.42 H new ATOM 0 HB2 GLN A 26 -10.774 -8.641 -12.106 1.00 65.40 H new ATOM 0 HB3 GLN A 26 -10.605 -9.520 -13.612 1.00 65.40 H new ATOM 0 HG2 GLN A 26 -8.435 -8.469 -14.061 1.00 41.53 H new ATOM 0 HG3 GLN A 26 -8.623 -7.385 -12.698 1.00 41.53 H new ATOM 0 HE21 GLN A 26 -6.443 -9.310 -13.279 1.00 21.23 H new ATOM 0 HE22 GLN A 26 -6.371 -10.382 -11.876 1.00 21.23 H new ATOM 437 N ARG A 27 -13.421 -7.223 -13.022 1.00 53.44 N ATOM 438 CA ARG A 27 -14.904 -7.344 -13.032 1.00 34.41 C ATOM 439 C ARG A 27 -15.532 -6.332 -14.018 1.00 74.22 C ATOM 440 O ARG A 27 -16.637 -6.551 -14.519 1.00 71.41 O ATOM 441 CB ARG A 27 -15.484 -7.110 -11.601 1.00 24.31 C ATOM 442 CG ARG A 27 -15.016 -8.138 -10.539 1.00 1.14 C ATOM 443 CD ARG A 27 -15.430 -7.768 -9.093 1.00 45.41 C ATOM 444 NE ARG A 27 -14.652 -8.514 -8.075 1.00 31.34 N ATOM 445 CZ ARG A 27 -15.145 -9.373 -7.167 1.00 3.13 C ATOM 446 NH1 ARG A 27 -16.444 -9.640 -7.109 1.00 22.52 N ATOM 447 NH2 ARG A 27 -14.324 -9.942 -6.285 1.00 13.42 N ATOM 0 H ARG A 27 -13.058 -6.737 -12.202 1.00 53.44 H new ATOM 0 HA ARG A 27 -15.154 -8.354 -13.357 1.00 34.41 H new ATOM 0 HB2 ARG A 27 -15.204 -6.111 -11.268 1.00 24.31 H new ATOM 0 HB3 ARG A 27 -16.572 -7.134 -11.656 1.00 24.31 H new ATOM 0 HG2 ARG A 27 -15.427 -9.117 -10.787 1.00 1.14 H new ATOM 0 HG3 ARG A 27 -13.931 -8.227 -10.586 1.00 1.14 H new ATOM 0 HD2 ARG A 27 -15.291 -6.698 -8.941 1.00 45.41 H new ATOM 0 HD3 ARG A 27 -16.492 -7.974 -8.958 1.00 45.41 H new ATOM 0 HE ARG A 27 -13.644 -8.360 -8.063 1.00 31.34 H new ATOM 0 HH11 ARG A 27 -17.087 -9.190 -7.761 1.00 22.52 H new ATOM 0 HH12 ARG A 27 -16.799 -10.295 -6.413 1.00 22.52 H new ATOM 0 HH21 ARG A 27 -13.328 -9.725 -6.302 1.00 13.42 H new ATOM 0 HH22 ARG A 27 -14.692 -10.595 -5.593 1.00 13.42 H new ATOM 461 N GLY A 28 -14.812 -5.222 -14.276 1.00 54.42 N ATOM 462 CA GLY A 28 -15.293 -4.144 -15.155 1.00 1.42 C ATOM 463 C GLY A 28 -15.901 -2.973 -14.393 1.00 43.11 C ATOM 464 O GLY A 28 -16.511 -2.080 -14.992 1.00 52.53 O ATOM 0 H GLY A 28 -13.887 -5.051 -13.882 1.00 54.42 H new ATOM 0 HA2 GLY A 28 -14.463 -3.782 -15.762 1.00 1.42 H new ATOM 0 HA3 GLY A 28 -16.037 -4.548 -15.841 1.00 1.42 H new ATOM 468 N GLU A 29 -15.741 -2.983 -13.064 1.00 30.30 N ATOM 469 CA GLU A 29 -16.161 -1.892 -12.163 1.00 43.44 C ATOM 470 C GLU A 29 -15.118 -0.745 -12.177 1.00 72.42 C ATOM 471 O GLU A 29 -14.583 -0.350 -11.128 1.00 13.20 O ATOM 472 CB GLU A 29 -16.330 -2.463 -10.731 1.00 70.52 C ATOM 473 CG GLU A 29 -17.225 -3.713 -10.628 1.00 23.45 C ATOM 474 CD GLU A 29 -18.679 -3.449 -11.047 1.00 24.50 C ATOM 475 OE1 GLU A 29 -19.457 -2.951 -10.215 1.00 62.33 O ATOM 476 OE2 GLU A 29 -19.042 -3.719 -12.210 1.00 42.21 O ATOM 0 H GLU A 29 -15.308 -3.764 -12.571 1.00 30.30 H new ATOM 0 HA GLU A 29 -17.111 -1.480 -12.503 1.00 43.44 H new ATOM 0 HB2 GLU A 29 -15.344 -2.707 -10.335 1.00 70.52 H new ATOM 0 HB3 GLU A 29 -16.746 -1.684 -10.092 1.00 70.52 H new ATOM 0 HG2 GLU A 29 -16.810 -4.502 -11.255 1.00 23.45 H new ATOM 0 HG3 GLU A 29 -17.210 -4.080 -9.602 1.00 23.45 H new ATOM 483 N TRP A 30 -14.864 -0.204 -13.384 1.00 51.32 N ATOM 484 CA TRP A 30 -13.841 0.840 -13.631 1.00 1.22 C ATOM 485 C TRP A 30 -14.150 2.122 -12.857 1.00 73.25 C ATOM 486 O TRP A 30 -13.241 2.797 -12.383 1.00 51.05 O ATOM 487 CB TRP A 30 -13.748 1.158 -15.145 1.00 64.13 C ATOM 488 CG TRP A 30 -13.391 -0.045 -15.987 1.00 43.12 C ATOM 489 CD1 TRP A 30 -14.218 -0.766 -16.804 1.00 22.40 C ATOM 490 CD2 TRP A 30 -12.105 -0.675 -16.067 1.00 21.53 C ATOM 491 NE1 TRP A 30 -13.527 -1.803 -17.376 1.00 1.30 N ATOM 492 CE2 TRP A 30 -12.229 -1.765 -16.947 1.00 62.41 C ATOM 493 CE3 TRP A 30 -10.862 -0.424 -15.471 1.00 32.12 C ATOM 494 CZ2 TRP A 30 -11.164 -2.603 -17.243 1.00 12.44 C ATOM 495 CZ3 TRP A 30 -9.801 -1.246 -15.782 1.00 71.13 C ATOM 496 CH2 TRP A 30 -9.962 -2.324 -16.658 1.00 2.02 C ATOM 0 H TRP A 30 -15.367 -0.480 -14.227 1.00 51.32 H new ATOM 0 HA TRP A 30 -12.885 0.450 -13.282 1.00 1.22 H new ATOM 0 HB2 TRP A 30 -14.703 1.560 -15.484 1.00 64.13 H new ATOM 0 HB3 TRP A 30 -13.001 1.936 -15.301 1.00 64.13 H new ATOM 0 HD1 TRP A 30 -15.262 -0.550 -16.974 1.00 22.40 H new ATOM 0 HE1 TRP A 30 -13.918 -2.492 -18.018 1.00 1.30 H new ATOM 0 HE3 TRP A 30 -10.738 0.398 -14.781 1.00 32.12 H new ATOM 0 HZ2 TRP A 30 -11.281 -3.444 -17.911 1.00 12.44 H new ATOM 0 HZ3 TRP A 30 -8.833 -1.055 -15.344 1.00 71.13 H new ATOM 0 HH2 TRP A 30 -9.112 -2.953 -16.878 1.00 2.02 H new ATOM 507 N ASP A 31 -15.452 2.413 -12.738 1.00 41.01 N ATOM 508 CA ASP A 31 -15.990 3.591 -12.029 1.00 11.12 C ATOM 509 C ASP A 31 -15.465 3.669 -10.587 1.00 2.45 C ATOM 510 O ASP A 31 -15.133 4.748 -10.085 1.00 44.13 O ATOM 511 CB ASP A 31 -17.539 3.522 -12.022 1.00 71.43 C ATOM 512 CG ASP A 31 -18.142 3.515 -13.438 1.00 33.33 C ATOM 513 OD1 ASP A 31 -18.550 4.588 -13.933 1.00 65.33 O ATOM 514 OD2 ASP A 31 -18.177 2.438 -14.074 1.00 3.24 O ATOM 0 H ASP A 31 -16.181 1.824 -13.140 1.00 41.01 H new ATOM 0 HA ASP A 31 -15.658 4.487 -12.553 1.00 11.12 H new ATOM 0 HB2 ASP A 31 -17.856 2.623 -11.493 1.00 71.43 H new ATOM 0 HB3 ASP A 31 -17.934 4.374 -11.468 1.00 71.43 H new ATOM 519 N LEU A 32 -15.389 2.494 -9.945 1.00 22.13 N ATOM 520 CA LEU A 32 -14.896 2.357 -8.571 1.00 23.24 C ATOM 521 C LEU A 32 -13.381 2.639 -8.497 1.00 4.11 C ATOM 522 O LEU A 32 -12.912 3.152 -7.497 1.00 35.31 O ATOM 523 CB LEU A 32 -15.255 0.960 -8.001 1.00 2.41 C ATOM 524 CG LEU A 32 -16.783 0.638 -7.929 1.00 51.34 C ATOM 525 CD1 LEU A 32 -17.036 -0.768 -7.359 1.00 10.21 C ATOM 526 CD2 LEU A 32 -17.561 1.706 -7.125 1.00 31.01 C ATOM 0 H LEU A 32 -15.670 1.609 -10.368 1.00 22.13 H new ATOM 0 HA LEU A 32 -15.391 3.103 -7.948 1.00 23.24 H new ATOM 0 HB2 LEU A 32 -14.769 0.201 -8.614 1.00 2.41 H new ATOM 0 HB3 LEU A 32 -14.836 0.877 -6.998 1.00 2.41 H new ATOM 0 HG LEU A 32 -17.159 0.659 -8.952 1.00 51.34 H new ATOM 0 HD11 LEU A 32 -18.109 -0.958 -7.323 1.00 10.21 H new ATOM 0 HD12 LEU A 32 -16.557 -1.511 -7.997 1.00 10.21 H new ATOM 0 HD13 LEU A 32 -16.622 -0.833 -6.353 1.00 10.21 H new ATOM 0 HD21 LEU A 32 -18.619 1.444 -7.100 1.00 31.01 H new ATOM 0 HD22 LEU A 32 -17.173 1.749 -6.107 1.00 31.01 H new ATOM 0 HD23 LEU A 32 -17.440 2.679 -7.601 1.00 31.01 H new ATOM 538 N LEU A 33 -12.631 2.327 -9.577 1.00 15.24 N ATOM 539 CA LEU A 33 -11.189 2.693 -9.677 1.00 64.53 C ATOM 540 C LEU A 33 -11.028 4.214 -9.856 1.00 52.05 C ATOM 541 O LEU A 33 -10.144 4.822 -9.250 1.00 52.31 O ATOM 542 CB LEU A 33 -10.448 1.947 -10.836 1.00 10.12 C ATOM 543 CG LEU A 33 -10.096 0.443 -10.598 1.00 1.50 C ATOM 544 CD1 LEU A 33 -11.343 -0.459 -10.606 1.00 55.43 C ATOM 545 CD2 LEU A 33 -9.033 -0.039 -11.609 1.00 12.43 C ATOM 0 H LEU A 33 -12.991 1.826 -10.389 1.00 15.24 H new ATOM 0 HA LEU A 33 -10.728 2.378 -8.741 1.00 64.53 H new ATOM 0 HB2 LEU A 33 -11.066 2.013 -11.732 1.00 10.12 H new ATOM 0 HB3 LEU A 33 -9.522 2.483 -11.047 1.00 10.12 H new ATOM 0 HG LEU A 33 -9.669 0.364 -9.598 1.00 1.50 H new ATOM 0 HD11 LEU A 33 -11.045 -1.494 -10.437 1.00 55.43 H new ATOM 0 HD12 LEU A 33 -12.025 -0.144 -9.816 1.00 55.43 H new ATOM 0 HD13 LEU A 33 -11.844 -0.379 -11.571 1.00 55.43 H new ATOM 0 HD21 LEU A 33 -8.804 -1.088 -11.424 1.00 12.43 H new ATOM 0 HD22 LEU A 33 -9.417 0.075 -12.623 1.00 12.43 H new ATOM 0 HD23 LEU A 33 -8.127 0.556 -11.495 1.00 12.43 H new ATOM 557 N LEU A 34 -11.915 4.804 -10.675 1.00 4.30 N ATOM 558 CA LEU A 34 -11.880 6.241 -11.022 1.00 42.40 C ATOM 559 C LEU A 34 -12.143 7.123 -9.787 1.00 52.40 C ATOM 560 O LEU A 34 -11.496 8.163 -9.601 1.00 13.03 O ATOM 561 CB LEU A 34 -12.921 6.544 -12.137 1.00 34.12 C ATOM 562 CG LEU A 34 -12.745 5.744 -13.470 1.00 2.42 C ATOM 563 CD1 LEU A 34 -13.887 6.032 -14.465 1.00 1.34 C ATOM 564 CD2 LEU A 34 -11.364 5.997 -14.108 1.00 40.03 C ATOM 0 H LEU A 34 -12.681 4.298 -11.119 1.00 4.30 H new ATOM 0 HA LEU A 34 -10.882 6.477 -11.391 1.00 42.40 H new ATOM 0 HB2 LEU A 34 -13.917 6.341 -11.743 1.00 34.12 H new ATOM 0 HB3 LEU A 34 -12.880 7.609 -12.366 1.00 34.12 H new ATOM 0 HG LEU A 34 -12.797 4.685 -13.216 1.00 2.42 H new ATOM 0 HD11 LEU A 34 -13.728 5.458 -15.378 1.00 1.34 H new ATOM 0 HD12 LEU A 34 -14.839 5.747 -14.018 1.00 1.34 H new ATOM 0 HD13 LEU A 34 -13.902 7.095 -14.704 1.00 1.34 H new ATOM 0 HD21 LEU A 34 -11.279 5.424 -15.032 1.00 40.03 H new ATOM 0 HD22 LEU A 34 -11.254 7.059 -14.328 1.00 40.03 H new ATOM 0 HD23 LEU A 34 -10.581 5.687 -13.416 1.00 40.03 H new ATOM 576 N GLN A 35 -13.102 6.688 -8.949 1.00 70.31 N ATOM 577 CA GLN A 35 -13.468 7.384 -7.703 1.00 22.12 C ATOM 578 C GLN A 35 -12.477 7.056 -6.570 1.00 50.01 C ATOM 579 O GLN A 35 -11.879 7.975 -5.998 1.00 41.24 O ATOM 580 CB GLN A 35 -14.938 7.056 -7.300 1.00 11.42 C ATOM 581 CG GLN A 35 -16.013 7.931 -7.994 1.00 22.52 C ATOM 582 CD GLN A 35 -16.055 7.823 -9.527 1.00 0.22 C ATOM 583 OE1 GLN A 35 -16.782 7.002 -10.084 1.00 64.32 O ATOM 584 NE2 GLN A 35 -15.265 8.643 -10.218 1.00 65.13 N ATOM 0 H GLN A 35 -13.646 5.842 -9.118 1.00 70.31 H new ATOM 0 HA GLN A 35 -13.407 8.458 -7.881 1.00 22.12 H new ATOM 0 HB2 GLN A 35 -15.138 6.009 -7.530 1.00 11.42 H new ATOM 0 HB3 GLN A 35 -15.038 7.170 -6.221 1.00 11.42 H new ATOM 0 HG2 GLN A 35 -16.992 7.657 -7.600 1.00 22.52 H new ATOM 0 HG3 GLN A 35 -15.841 8.973 -7.724 1.00 22.52 H new ATOM 0 HE21 GLN A 35 -14.673 9.314 -9.728 1.00 65.13 H new ATOM 0 HE22 GLN A 35 -15.252 8.600 -11.237 1.00 65.13 H new ATOM 593 N GLN A 36 -12.288 5.747 -6.263 1.00 61.22 N ATOM 594 CA GLN A 36 -11.373 5.296 -5.171 1.00 24.43 C ATOM 595 C GLN A 36 -9.901 5.639 -5.439 1.00 23.10 C ATOM 596 O GLN A 36 -9.077 5.483 -4.536 1.00 71.54 O ATOM 597 CB GLN A 36 -11.510 3.783 -4.871 1.00 64.34 C ATOM 598 CG GLN A 36 -12.857 3.377 -4.253 1.00 63.21 C ATOM 599 CD GLN A 36 -13.119 3.954 -2.853 1.00 64.41 C ATOM 600 OE1 GLN A 36 -12.197 4.202 -2.079 1.00 14.13 O ATOM 601 NE2 GLN A 36 -14.386 4.140 -2.508 1.00 13.44 N ATOM 0 H GLN A 36 -12.754 4.983 -6.753 1.00 61.22 H new ATOM 0 HA GLN A 36 -11.692 5.855 -4.291 1.00 24.43 H new ATOM 0 HB2 GLN A 36 -11.367 3.227 -5.798 1.00 64.34 H new ATOM 0 HB3 GLN A 36 -10.709 3.485 -4.194 1.00 64.34 H new ATOM 0 HG2 GLN A 36 -13.658 3.697 -4.919 1.00 63.21 H new ATOM 0 HG3 GLN A 36 -12.903 2.289 -4.198 1.00 63.21 H new ATOM 0 HE21 GLN A 36 -15.132 3.926 -3.170 1.00 13.44 H new ATOM 0 HE22 GLN A 36 -14.615 4.497 -1.580 1.00 13.44 H new ATOM 610 N GLU A 37 -9.566 6.036 -6.691 1.00 54.42 N ATOM 611 CA GLU A 37 -8.246 6.611 -7.025 1.00 52.43 C ATOM 612 C GLU A 37 -7.861 7.701 -6.008 1.00 62.02 C ATOM 613 O GLU A 37 -6.795 7.634 -5.422 1.00 2.42 O ATOM 614 CB GLU A 37 -8.238 7.208 -8.463 1.00 0.04 C ATOM 615 CG GLU A 37 -6.880 7.786 -8.912 1.00 15.35 C ATOM 616 CD GLU A 37 -6.924 8.431 -10.309 1.00 10.40 C ATOM 617 OE1 GLU A 37 -6.403 7.840 -11.279 1.00 73.02 O ATOM 618 OE2 GLU A 37 -7.488 9.530 -10.442 1.00 12.24 O ATOM 0 H GLU A 37 -10.198 5.966 -7.488 1.00 54.42 H new ATOM 0 HA GLU A 37 -7.514 5.805 -6.982 1.00 52.43 H new ATOM 0 HB2 GLU A 37 -8.537 6.431 -9.166 1.00 0.04 H new ATOM 0 HB3 GLU A 37 -8.989 7.996 -8.519 1.00 0.04 H new ATOM 0 HG2 GLU A 37 -6.552 8.530 -8.186 1.00 15.35 H new ATOM 0 HG3 GLU A 37 -6.136 6.990 -8.911 1.00 15.35 H new ATOM 625 N VAL A 38 -8.802 8.635 -5.760 1.00 74.44 N ATOM 626 CA VAL A 38 -8.593 9.796 -4.865 1.00 25.13 C ATOM 627 C VAL A 38 -8.181 9.358 -3.437 1.00 30.20 C ATOM 628 O VAL A 38 -7.143 9.789 -2.922 1.00 54.34 O ATOM 629 CB VAL A 38 -9.881 10.706 -4.774 1.00 62.42 C ATOM 630 CG1 VAL A 38 -9.614 11.979 -3.928 1.00 32.23 C ATOM 631 CG2 VAL A 38 -10.415 11.063 -6.181 1.00 13.42 C ATOM 0 H VAL A 38 -9.733 8.607 -6.176 1.00 74.44 H new ATOM 0 HA VAL A 38 -7.780 10.373 -5.306 1.00 25.13 H new ATOM 0 HB VAL A 38 -10.656 10.133 -4.265 1.00 62.42 H new ATOM 0 HG11 VAL A 38 -10.520 12.584 -3.885 1.00 32.23 H new ATOM 0 HG12 VAL A 38 -9.322 11.690 -2.918 1.00 32.23 H new ATOM 0 HG13 VAL A 38 -8.812 12.559 -4.386 1.00 32.23 H new ATOM 0 HG21 VAL A 38 -11.302 11.690 -6.085 1.00 13.42 H new ATOM 0 HG22 VAL A 38 -9.647 11.603 -6.735 1.00 13.42 H new ATOM 0 HG23 VAL A 38 -10.673 10.149 -6.715 1.00 13.42 H new ATOM 641 N SER A 39 -8.987 8.475 -2.824 1.00 20.02 N ATOM 642 CA SER A 39 -8.756 8.005 -1.437 1.00 2.44 C ATOM 643 C SER A 39 -7.506 7.114 -1.333 1.00 2.32 C ATOM 644 O SER A 39 -6.801 7.155 -0.323 1.00 43.34 O ATOM 645 CB SER A 39 -9.990 7.253 -0.927 1.00 1.14 C ATOM 646 OG SER A 39 -10.341 6.209 -1.823 1.00 71.34 O ATOM 0 H SER A 39 -9.811 8.067 -3.266 1.00 20.02 H new ATOM 0 HA SER A 39 -8.583 8.882 -0.813 1.00 2.44 H new ATOM 0 HB2 SER A 39 -9.789 6.840 0.061 1.00 1.14 H new ATOM 0 HB3 SER A 39 -10.826 7.944 -0.819 1.00 1.14 H new ATOM 0 HG SER A 39 -11.128 5.735 -1.481 1.00 71.34 H new ATOM 652 N TYR A 40 -7.243 6.329 -2.396 1.00 64.35 N ATOM 653 CA TYR A 40 -6.052 5.464 -2.495 1.00 1.23 C ATOM 654 C TYR A 40 -4.780 6.322 -2.536 1.00 21.43 C ATOM 655 O TYR A 40 -3.789 6.015 -1.858 1.00 60.41 O ATOM 656 CB TYR A 40 -6.150 4.566 -3.758 1.00 44.22 C ATOM 657 CG TYR A 40 -5.015 3.540 -3.921 1.00 13.22 C ATOM 658 CD1 TYR A 40 -4.768 2.584 -2.934 1.00 10.30 C ATOM 659 CD2 TYR A 40 -4.204 3.517 -5.060 1.00 1.13 C ATOM 660 CE1 TYR A 40 -3.765 1.651 -3.077 1.00 62.01 C ATOM 661 CE2 TYR A 40 -3.197 2.581 -5.201 1.00 23.42 C ATOM 662 CZ TYR A 40 -2.980 1.651 -4.208 1.00 54.11 C ATOM 663 OH TYR A 40 -1.983 0.709 -4.347 1.00 73.34 O ATOM 0 H TYR A 40 -7.853 6.277 -3.212 1.00 64.35 H new ATOM 0 HA TYR A 40 -6.005 4.820 -1.617 1.00 1.23 H new ATOM 0 HB2 TYR A 40 -7.100 4.032 -3.732 1.00 44.22 H new ATOM 0 HB3 TYR A 40 -6.168 5.207 -4.640 1.00 44.22 H new ATOM 0 HD1 TYR A 40 -5.375 2.576 -2.041 1.00 10.30 H new ATOM 0 HD2 TYR A 40 -4.367 4.243 -5.843 1.00 1.13 H new ATOM 0 HE1 TYR A 40 -3.594 0.919 -2.301 1.00 62.01 H new ATOM 0 HE2 TYR A 40 -2.581 2.579 -6.088 1.00 23.42 H new ATOM 0 HH TYR A 40 -1.864 0.231 -3.500 1.00 73.34 H new ATOM 673 N LEU A 41 -4.850 7.415 -3.326 1.00 61.15 N ATOM 674 CA LEU A 41 -3.783 8.417 -3.422 1.00 51.34 C ATOM 675 C LEU A 41 -3.545 9.055 -2.053 1.00 64.51 C ATOM 676 O LEU A 41 -2.406 9.189 -1.635 1.00 22.35 O ATOM 677 CB LEU A 41 -4.120 9.516 -4.474 1.00 5.20 C ATOM 678 CG LEU A 41 -4.169 9.057 -5.960 1.00 24.02 C ATOM 679 CD1 LEU A 41 -4.649 10.191 -6.884 1.00 61.32 C ATOM 680 CD2 LEU A 41 -2.818 8.499 -6.422 1.00 3.24 C ATOM 0 H LEU A 41 -5.656 7.622 -3.916 1.00 61.15 H new ATOM 0 HA LEU A 41 -2.875 7.911 -3.751 1.00 51.34 H new ATOM 0 HB2 LEU A 41 -5.087 9.950 -4.218 1.00 5.20 H new ATOM 0 HB3 LEU A 41 -3.380 10.312 -4.386 1.00 5.20 H new ATOM 0 HG LEU A 41 -4.897 8.248 -6.025 1.00 24.02 H new ATOM 0 HD11 LEU A 41 -4.671 9.836 -7.914 1.00 61.32 H new ATOM 0 HD12 LEU A 41 -5.650 10.504 -6.586 1.00 61.32 H new ATOM 0 HD13 LEU A 41 -3.966 11.037 -6.807 1.00 61.32 H new ATOM 0 HD21 LEU A 41 -2.890 8.188 -7.464 1.00 3.24 H new ATOM 0 HD22 LEU A 41 -2.054 9.270 -6.325 1.00 3.24 H new ATOM 0 HD23 LEU A 41 -2.549 7.641 -5.806 1.00 3.24 H new ATOM 692 N GLN A 42 -4.640 9.406 -1.345 1.00 53.23 N ATOM 693 CA GLN A 42 -4.548 10.044 -0.020 1.00 12.21 C ATOM 694 C GLN A 42 -3.891 9.094 0.999 1.00 50.30 C ATOM 695 O GLN A 42 -3.005 9.511 1.732 1.00 55.33 O ATOM 696 CB GLN A 42 -5.936 10.533 0.479 1.00 2.10 C ATOM 697 CG GLN A 42 -5.886 11.278 1.835 1.00 32.33 C ATOM 698 CD GLN A 42 -7.180 12.022 2.182 1.00 64.41 C ATOM 699 OE1 GLN A 42 -7.903 12.486 1.301 1.00 74.02 O ATOM 700 NE2 GLN A 42 -7.481 12.151 3.464 1.00 24.42 N ATOM 0 H GLN A 42 -5.595 9.257 -1.671 1.00 53.23 H new ATOM 0 HA GLN A 42 -3.914 10.925 -0.120 1.00 12.21 H new ATOM 0 HB2 GLN A 42 -6.370 11.193 -0.272 1.00 2.10 H new ATOM 0 HB3 GLN A 42 -6.602 9.675 0.571 1.00 2.10 H new ATOM 0 HG2 GLN A 42 -5.668 10.560 2.625 1.00 32.33 H new ATOM 0 HG3 GLN A 42 -5.062 11.991 1.817 1.00 32.33 H new ATOM 0 HE21 GLN A 42 -6.865 11.757 4.175 1.00 24.42 H new ATOM 0 HE22 GLN A 42 -8.329 12.644 3.742 1.00 24.42 H new ATOM 709 N SER A 43 -4.281 7.804 0.965 1.00 61.45 N ATOM 710 CA SER A 43 -3.757 6.774 1.893 1.00 42.45 C ATOM 711 C SER A 43 -2.229 6.626 1.762 1.00 23.10 C ATOM 712 O SER A 43 -1.479 6.760 2.752 1.00 13.13 O ATOM 713 CB SER A 43 -4.436 5.411 1.619 1.00 24.13 C ATOM 714 OG SER A 43 -5.842 5.510 1.705 1.00 23.22 O ATOM 0 H SER A 43 -4.964 7.445 0.298 1.00 61.45 H new ATOM 0 HA SER A 43 -3.985 7.097 2.909 1.00 42.45 H new ATOM 0 HB2 SER A 43 -4.155 5.055 0.628 1.00 24.13 H new ATOM 0 HB3 SER A 43 -4.077 4.673 2.336 1.00 24.13 H new ATOM 0 HG SER A 43 -6.179 6.039 0.952 1.00 23.22 H new ATOM 720 N ILE A 44 -1.784 6.395 0.515 1.00 30.31 N ATOM 721 CA ILE A 44 -0.367 6.156 0.202 1.00 63.44 C ATOM 722 C ILE A 44 0.486 7.424 0.475 1.00 60.32 C ATOM 723 O ILE A 44 1.618 7.318 0.957 1.00 14.50 O ATOM 724 CB ILE A 44 -0.210 5.600 -1.268 1.00 62.10 C ATOM 725 CG1 ILE A 44 1.239 5.126 -1.580 1.00 30.35 C ATOM 726 CG2 ILE A 44 -0.689 6.613 -2.315 1.00 52.52 C ATOM 727 CD1 ILE A 44 1.422 4.586 -2.997 1.00 32.15 C ATOM 0 H ILE A 44 -2.395 6.369 -0.301 1.00 30.31 H new ATOM 0 HA ILE A 44 0.020 5.385 0.868 1.00 63.44 H new ATOM 0 HB ILE A 44 -0.854 4.722 -1.327 1.00 62.10 H new ATOM 0 HG12 ILE A 44 1.924 5.960 -1.428 1.00 30.35 H new ATOM 0 HG13 ILE A 44 1.518 4.350 -0.867 1.00 30.35 H new ATOM 0 HG21 ILE A 44 -0.564 6.192 -3.313 1.00 52.52 H new ATOM 0 HG22 ILE A 44 -1.742 6.840 -2.146 1.00 52.52 H new ATOM 0 HG23 ILE A 44 -0.102 7.528 -2.231 1.00 52.52 H new ATOM 0 HD11 ILE A 44 2.458 4.276 -3.137 1.00 32.15 H new ATOM 0 HD12 ILE A 44 0.764 3.731 -3.148 1.00 32.15 H new ATOM 0 HD13 ILE A 44 1.176 5.365 -3.718 1.00 32.15 H new ATOM 739 N GLU A 45 -0.107 8.618 0.244 1.00 73.13 N ATOM 740 CA GLU A 45 0.517 9.916 0.602 1.00 20.23 C ATOM 741 C GLU A 45 0.693 10.051 2.127 1.00 51.34 C ATOM 742 O GLU A 45 1.759 10.450 2.596 1.00 10.41 O ATOM 743 CB GLU A 45 -0.335 11.101 0.062 1.00 30.43 C ATOM 744 CG GLU A 45 -0.266 11.317 -1.462 1.00 64.10 C ATOM 745 CD GLU A 45 1.093 11.827 -1.958 1.00 24.30 C ATOM 746 OE1 GLU A 45 1.247 13.050 -2.129 1.00 71.35 O ATOM 747 OE2 GLU A 45 1.999 11.012 -2.199 1.00 2.52 O ATOM 0 H GLU A 45 -1.024 8.711 -0.192 1.00 73.13 H new ATOM 0 HA GLU A 45 1.503 9.946 0.138 1.00 20.23 H new ATOM 0 HB2 GLU A 45 -1.375 10.937 0.343 1.00 30.43 H new ATOM 0 HB3 GLU A 45 -0.011 12.016 0.558 1.00 30.43 H new ATOM 0 HG2 GLU A 45 -0.495 10.376 -1.963 1.00 64.10 H new ATOM 0 HG3 GLU A 45 -1.038 12.029 -1.753 1.00 64.10 H new ATOM 754 N THR A 46 -0.356 9.687 2.888 1.00 60.34 N ATOM 755 CA THR A 46 -0.351 9.804 4.361 1.00 1.21 C ATOM 756 C THR A 46 0.736 8.911 4.980 1.00 44.23 C ATOM 757 O THR A 46 1.343 9.277 5.974 1.00 21.34 O ATOM 758 CB THR A 46 -1.752 9.475 4.985 1.00 75.42 C ATOM 759 OG1 THR A 46 -2.738 10.333 4.410 1.00 21.31 O ATOM 760 CG2 THR A 46 -1.787 9.669 6.516 1.00 62.51 C ATOM 0 H THR A 46 -1.222 9.308 2.506 1.00 60.34 H new ATOM 0 HA THR A 46 -0.125 10.844 4.596 1.00 1.21 H new ATOM 0 HB THR A 46 -1.954 8.426 4.771 1.00 75.42 H new ATOM 0 HG1 THR A 46 -2.873 10.092 3.470 1.00 21.31 H new ATOM 0 HG21 THR A 46 -2.781 9.426 6.891 1.00 62.51 H new ATOM 0 HG22 THR A 46 -1.053 9.012 6.983 1.00 62.51 H new ATOM 0 HG23 THR A 46 -1.551 10.706 6.757 1.00 62.51 H new ATOM 768 N VAL A 47 0.993 7.752 4.365 1.00 41.10 N ATOM 769 CA VAL A 47 2.081 6.859 4.811 1.00 63.14 C ATOM 770 C VAL A 47 3.477 7.448 4.477 1.00 0.42 C ATOM 771 O VAL A 47 4.328 7.568 5.366 1.00 62.41 O ATOM 772 CB VAL A 47 1.943 5.426 4.196 1.00 61.35 C ATOM 773 CG1 VAL A 47 3.075 4.500 4.684 1.00 64.24 C ATOM 774 CG2 VAL A 47 0.562 4.832 4.526 1.00 32.23 C ATOM 0 H VAL A 47 0.469 7.407 3.561 1.00 41.10 H new ATOM 0 HA VAL A 47 1.992 6.777 5.894 1.00 63.14 H new ATOM 0 HB VAL A 47 2.031 5.509 3.113 1.00 61.35 H new ATOM 0 HG11 VAL A 47 2.953 3.512 4.241 1.00 64.24 H new ATOM 0 HG12 VAL A 47 4.038 4.915 4.387 1.00 64.24 H new ATOM 0 HG13 VAL A 47 3.035 4.418 5.770 1.00 64.24 H new ATOM 0 HG21 VAL A 47 0.481 3.836 4.092 1.00 32.23 H new ATOM 0 HG22 VAL A 47 0.443 4.767 5.608 1.00 32.23 H new ATOM 0 HG23 VAL A 47 -0.218 5.472 4.113 1.00 32.23 H new ATOM 784 N MET A 48 3.678 7.836 3.197 1.00 42.31 N ATOM 785 CA MET A 48 5.004 8.273 2.681 1.00 23.11 C ATOM 786 C MET A 48 5.475 9.614 3.291 1.00 72.42 C ATOM 787 O MET A 48 6.683 9.828 3.470 1.00 65.10 O ATOM 788 CB MET A 48 4.986 8.363 1.126 1.00 41.15 C ATOM 789 CG MET A 48 4.800 7.012 0.420 1.00 30.12 C ATOM 790 SD MET A 48 4.915 7.132 -1.383 1.00 50.23 S ATOM 791 CE MET A 48 3.488 8.138 -1.783 1.00 5.21 C ATOM 0 H MET A 48 2.937 7.857 2.496 1.00 42.31 H new ATOM 0 HA MET A 48 5.723 7.514 2.990 1.00 23.11 H new ATOM 0 HB2 MET A 48 4.182 9.033 0.821 1.00 41.15 H new ATOM 0 HB3 MET A 48 5.920 8.811 0.788 1.00 41.15 H new ATOM 0 HG2 MET A 48 5.555 6.313 0.781 1.00 30.12 H new ATOM 0 HG3 MET A 48 3.828 6.599 0.690 1.00 30.12 H new ATOM 0 HE1 MET A 48 2.824 7.581 -2.443 1.00 5.21 H new ATOM 0 HE2 MET A 48 2.957 8.396 -0.867 1.00 5.21 H new ATOM 0 HE3 MET A 48 3.814 9.050 -2.282 1.00 5.21 H new ATOM 801 N GLU A 49 4.519 10.506 3.593 1.00 13.32 N ATOM 802 CA GLU A 49 4.804 11.848 4.156 1.00 61.23 C ATOM 803 C GLU A 49 4.976 11.797 5.685 1.00 21.32 C ATOM 804 O GLU A 49 5.772 12.558 6.243 1.00 3.12 O ATOM 805 CB GLU A 49 3.679 12.848 3.775 1.00 43.23 C ATOM 806 CG GLU A 49 3.543 13.102 2.259 1.00 64.51 C ATOM 807 CD GLU A 49 2.407 14.082 1.927 1.00 31.34 C ATOM 808 OE1 GLU A 49 1.232 13.659 1.898 1.00 42.04 O ATOM 809 OE2 GLU A 49 2.676 15.291 1.728 1.00 14.15 O ATOM 0 H GLU A 49 3.525 10.324 3.456 1.00 13.32 H new ATOM 0 HA GLU A 49 5.745 12.192 3.726 1.00 61.23 H new ATOM 0 HB2 GLU A 49 2.730 12.471 4.155 1.00 43.23 H new ATOM 0 HB3 GLU A 49 3.868 13.798 4.275 1.00 43.23 H new ATOM 0 HG2 GLU A 49 4.483 13.497 1.874 1.00 64.51 H new ATOM 0 HG3 GLU A 49 3.362 12.155 1.750 1.00 64.51 H new ATOM 816 N LYS A 50 4.219 10.909 6.355 1.00 43.12 N ATOM 817 CA LYS A 50 4.279 10.760 7.829 1.00 41.42 C ATOM 818 C LYS A 50 5.496 9.913 8.241 1.00 53.14 C ATOM 819 O LYS A 50 6.088 9.204 7.422 1.00 75.25 O ATOM 820 CB LYS A 50 2.959 10.159 8.405 1.00 11.25 C ATOM 821 CG LYS A 50 1.830 11.184 8.690 1.00 64.44 C ATOM 822 CD LYS A 50 1.437 12.076 7.490 1.00 23.24 C ATOM 823 CE LYS A 50 0.288 13.036 7.832 1.00 12.13 C ATOM 824 NZ LYS A 50 -0.022 13.968 6.712 1.00 14.44 N ATOM 0 H LYS A 50 3.556 10.280 5.902 1.00 43.12 H new ATOM 0 HA LYS A 50 4.393 11.757 8.255 1.00 41.42 H new ATOM 0 HB2 LYS A 50 2.582 9.415 7.703 1.00 11.25 H new ATOM 0 HB3 LYS A 50 3.193 9.634 9.331 1.00 11.25 H new ATOM 0 HG2 LYS A 50 0.945 10.643 9.026 1.00 64.44 H new ATOM 0 HG3 LYS A 50 2.143 11.826 9.513 1.00 64.44 H new ATOM 0 HD2 LYS A 50 2.305 12.651 7.168 1.00 23.24 H new ATOM 0 HD3 LYS A 50 1.143 11.445 6.651 1.00 23.24 H new ATOM 0 HE2 LYS A 50 -0.603 12.459 8.079 1.00 12.13 H new ATOM 0 HE3 LYS A 50 0.551 13.612 8.719 1.00 12.13 H new ATOM 0 HZ1 LYS A 50 -0.803 14.596 6.989 1.00 14.44 H new ATOM 0 HZ2 LYS A 50 0.819 14.538 6.492 1.00 14.44 H new ATOM 0 HZ3 LYS A 50 -0.299 13.421 5.872 1.00 14.44 H new ATOM 838 N GLN A 51 5.831 9.994 9.534 1.00 31.05 N ATOM 839 CA GLN A 51 7.047 9.398 10.093 1.00 31.31 C ATOM 840 C GLN A 51 6.829 7.904 10.398 1.00 23.44 C ATOM 841 O GLN A 51 5.759 7.509 10.886 1.00 24.21 O ATOM 842 CB GLN A 51 7.447 10.173 11.376 1.00 13.30 C ATOM 843 CG GLN A 51 8.798 9.761 11.990 1.00 2.12 C ATOM 844 CD GLN A 51 9.223 10.555 13.235 1.00 42.20 C ATOM 845 OE1 GLN A 51 9.908 10.023 14.110 1.00 11.01 O ATOM 846 NE2 GLN A 51 8.853 11.830 13.322 1.00 42.32 N ATOM 0 H GLN A 51 5.260 10.479 10.226 1.00 31.05 H new ATOM 0 HA GLN A 51 7.855 9.470 9.365 1.00 31.31 H new ATOM 0 HB2 GLN A 51 7.480 11.238 11.144 1.00 13.30 H new ATOM 0 HB3 GLN A 51 6.667 10.034 12.125 1.00 13.30 H new ATOM 0 HG2 GLN A 51 8.752 8.704 12.252 1.00 2.12 H new ATOM 0 HG3 GLN A 51 9.572 9.868 11.230 1.00 2.12 H new ATOM 0 HE21 GLN A 51 8.286 12.248 12.584 1.00 42.32 H new ATOM 0 HE22 GLN A 51 9.137 12.390 14.126 1.00 42.32 H new ATOM 855 N THR A 52 7.846 7.088 10.074 1.00 24.13 N ATOM 856 CA THR A 52 7.890 5.668 10.445 1.00 52.14 C ATOM 857 C THR A 52 8.157 5.547 11.973 1.00 2.20 C ATOM 858 O THR A 52 9.151 6.102 12.457 1.00 21.55 O ATOM 859 CB THR A 52 9.005 4.920 9.633 1.00 61.12 C ATOM 860 OG1 THR A 52 8.797 5.145 8.231 1.00 31.31 O ATOM 861 CG2 THR A 52 9.015 3.402 9.916 1.00 51.03 C ATOM 0 H THR A 52 8.662 7.398 9.546 1.00 24.13 H new ATOM 0 HA THR A 52 6.933 5.204 10.207 1.00 52.14 H new ATOM 0 HB THR A 52 9.970 5.317 9.947 1.00 61.12 H new ATOM 0 HG1 THR A 52 9.645 5.032 7.752 1.00 31.31 H new ATOM 0 HG21 THR A 52 9.803 2.928 9.331 1.00 51.03 H new ATOM 0 HG22 THR A 52 9.197 3.231 10.977 1.00 51.03 H new ATOM 0 HG23 THR A 52 8.051 2.974 9.640 1.00 51.03 H new ATOM 869 N PRO A 53 7.265 4.846 12.752 1.00 74.30 N ATOM 870 CA PRO A 53 7.390 4.732 14.234 1.00 51.24 C ATOM 871 C PRO A 53 8.597 3.865 14.666 1.00 71.02 C ATOM 872 O PRO A 53 9.052 3.014 13.889 1.00 64.34 O ATOM 873 CB PRO A 53 6.051 4.060 14.634 1.00 74.53 C ATOM 874 CG PRO A 53 5.654 3.272 13.425 1.00 43.25 C ATOM 875 CD PRO A 53 6.068 4.117 12.251 1.00 30.32 C ATOM 0 HA PRO A 53 7.566 5.695 14.713 1.00 51.24 H new ATOM 0 HB2 PRO A 53 6.174 3.416 15.505 1.00 74.53 H new ATOM 0 HB3 PRO A 53 5.295 4.802 14.890 1.00 74.53 H new ATOM 0 HG2 PRO A 53 6.151 2.302 13.407 1.00 43.25 H new ATOM 0 HG3 PRO A 53 4.581 3.081 13.414 1.00 43.25 H new ATOM 0 HD2 PRO A 53 6.306 3.506 11.380 1.00 30.32 H new ATOM 0 HD3 PRO A 53 5.276 4.804 11.952 1.00 30.32 H new ATOM 883 N PRO A 54 9.144 4.071 15.913 1.00 72.40 N ATOM 884 CA PRO A 54 10.224 3.222 16.452 1.00 11.44 C ATOM 885 C PRO A 54 9.745 1.781 16.746 1.00 21.14 C ATOM 886 O PRO A 54 10.422 0.818 16.375 1.00 13.12 O ATOM 887 CB PRO A 54 10.672 3.964 17.741 1.00 25.24 C ATOM 888 CG PRO A 54 9.483 4.772 18.149 1.00 62.41 C ATOM 889 CD PRO A 54 8.802 5.176 16.857 1.00 50.23 C ATOM 0 HA PRO A 54 11.041 3.090 15.742 1.00 11.44 H new ATOM 0 HB2 PRO A 54 10.959 3.261 18.523 1.00 25.24 H new ATOM 0 HB3 PRO A 54 11.536 4.600 17.551 1.00 25.24 H new ATOM 0 HG2 PRO A 54 8.812 4.190 18.781 1.00 62.41 H new ATOM 0 HG3 PRO A 54 9.783 5.648 18.724 1.00 62.41 H new ATOM 0 HD2 PRO A 54 7.724 5.272 16.986 1.00 50.23 H new ATOM 0 HD3 PRO A 54 9.167 6.138 16.496 1.00 50.23 H new ATOM 897 N GLY A 55 8.583 1.660 17.427 1.00 4.23 N ATOM 898 CA GLY A 55 8.043 0.365 17.860 1.00 52.21 C ATOM 899 C GLY A 55 7.541 -0.503 16.712 1.00 60.41 C ATOM 900 O GLY A 55 6.344 -0.541 16.425 1.00 11.22 O ATOM 0 H GLY A 55 8.001 2.456 17.687 1.00 4.23 H new ATOM 0 HA2 GLY A 55 8.816 -0.178 18.403 1.00 52.21 H new ATOM 0 HA3 GLY A 55 7.224 0.538 18.558 1.00 52.21 H new ATOM 904 N ILE A 56 8.483 -1.173 16.032 1.00 42.12 N ATOM 905 CA ILE A 56 8.201 -2.140 14.962 1.00 33.44 C ATOM 906 C ILE A 56 8.908 -3.459 15.318 1.00 65.04 C ATOM 907 O ILE A 56 10.121 -3.588 15.135 1.00 11.32 O ATOM 908 CB ILE A 56 8.684 -1.605 13.551 1.00 50.32 C ATOM 909 CG1 ILE A 56 7.951 -0.277 13.177 1.00 42.03 C ATOM 910 CG2 ILE A 56 8.497 -2.667 12.431 1.00 25.52 C ATOM 911 CD1 ILE A 56 8.420 0.350 11.878 1.00 21.42 C ATOM 0 H ILE A 56 9.480 -1.056 16.214 1.00 42.12 H new ATOM 0 HA ILE A 56 7.125 -2.296 14.884 1.00 33.44 H new ATOM 0 HB ILE A 56 9.752 -1.401 13.634 1.00 50.32 H new ATOM 0 HG12 ILE A 56 6.881 -0.474 13.107 1.00 42.03 H new ATOM 0 HG13 ILE A 56 8.091 0.441 13.985 1.00 42.03 H new ATOM 0 HG21 ILE A 56 8.841 -2.258 11.481 1.00 25.52 H new ATOM 0 HG22 ILE A 56 9.076 -3.558 12.674 1.00 25.52 H new ATOM 0 HG23 ILE A 56 7.442 -2.931 12.352 1.00 25.52 H new ATOM 0 HD11 ILE A 56 7.860 1.267 11.694 1.00 21.42 H new ATOM 0 HD12 ILE A 56 9.483 0.582 11.949 1.00 21.42 H new ATOM 0 HD13 ILE A 56 8.255 -0.347 11.057 1.00 21.42 H new ATOM 923 N THR A 57 8.153 -4.410 15.893 1.00 23.22 N ATOM 924 CA THR A 57 8.662 -5.758 16.200 1.00 22.30 C ATOM 925 C THR A 57 8.784 -6.579 14.906 1.00 35.41 C ATOM 926 O THR A 57 8.458 -6.077 13.821 1.00 12.34 O ATOM 927 CB THR A 57 7.720 -6.479 17.215 1.00 72.40 C ATOM 928 OG1 THR A 57 6.404 -6.601 16.650 1.00 12.41 O ATOM 929 CG2 THR A 57 7.638 -5.722 18.555 1.00 45.23 C ATOM 0 H THR A 57 7.178 -4.268 16.157 1.00 23.22 H new ATOM 0 HA THR A 57 9.649 -5.666 16.654 1.00 22.30 H new ATOM 0 HB THR A 57 8.136 -7.467 17.413 1.00 72.40 H new ATOM 0 HG1 THR A 57 5.815 -7.055 17.288 1.00 12.41 H new ATOM 0 HG21 THR A 57 6.973 -6.255 19.234 1.00 45.23 H new ATOM 0 HG22 THR A 57 8.632 -5.657 18.997 1.00 45.23 H new ATOM 0 HG23 THR A 57 7.251 -4.718 18.382 1.00 45.23 H new ATOM 937 N ARG A 58 9.232 -7.845 15.019 1.00 13.44 N ATOM 938 CA ARG A 58 9.344 -8.741 13.852 1.00 64.14 C ATOM 939 C ARG A 58 7.946 -9.038 13.266 1.00 63.22 C ATOM 940 O ARG A 58 7.775 -9.047 12.049 1.00 30.20 O ATOM 941 CB ARG A 58 10.093 -10.059 14.215 1.00 20.23 C ATOM 942 CG ARG A 58 10.247 -11.060 13.035 1.00 33.24 C ATOM 943 CD ARG A 58 10.995 -10.459 11.826 1.00 61.34 C ATOM 944 NE ARG A 58 10.820 -11.264 10.603 1.00 1.43 N ATOM 945 CZ ARG A 58 11.436 -11.038 9.432 1.00 3.14 C ATOM 946 NH1 ARG A 58 12.281 -10.018 9.289 1.00 43.14 N ATOM 947 NH2 ARG A 58 11.186 -11.822 8.395 1.00 3.22 N ATOM 0 H ARG A 58 9.521 -8.268 15.901 1.00 13.44 H new ATOM 0 HA ARG A 58 9.935 -8.232 13.091 1.00 64.14 H new ATOM 0 HB2 ARG A 58 11.084 -9.807 14.592 1.00 20.23 H new ATOM 0 HB3 ARG A 58 9.559 -10.553 15.027 1.00 20.23 H new ATOM 0 HG2 ARG A 58 10.782 -11.944 13.383 1.00 33.24 H new ATOM 0 HG3 ARG A 58 9.259 -11.391 12.716 1.00 33.24 H new ATOM 0 HD2 ARG A 58 10.635 -9.446 11.646 1.00 61.34 H new ATOM 0 HD3 ARG A 58 12.057 -10.383 12.060 1.00 61.34 H new ATOM 0 HE ARG A 58 10.179 -12.056 10.651 1.00 1.43 H new ATOM 0 HH11 ARG A 58 12.467 -9.396 10.076 1.00 43.14 H new ATOM 0 HH12 ARG A 58 12.742 -9.859 8.393 1.00 43.14 H new ATOM 0 HH21 ARG A 58 10.527 -12.595 8.487 1.00 3.22 H new ATOM 0 HH22 ARG A 58 11.652 -11.653 7.504 1.00 3.22 H new ATOM 961 N SER A 59 6.954 -9.237 14.153 1.00 61.31 N ATOM 962 CA SER A 59 5.548 -9.468 13.760 1.00 53.23 C ATOM 963 C SER A 59 4.983 -8.274 12.961 1.00 62.10 C ATOM 964 O SER A 59 4.344 -8.455 11.911 1.00 4.20 O ATOM 965 CB SER A 59 4.701 -9.733 15.020 1.00 61.33 C ATOM 966 OG SER A 59 5.182 -10.876 15.714 1.00 13.45 O ATOM 0 H SER A 59 7.102 -9.243 15.162 1.00 61.31 H new ATOM 0 HA SER A 59 5.507 -10.341 13.108 1.00 53.23 H new ATOM 0 HB2 SER A 59 4.732 -8.863 15.676 1.00 61.33 H new ATOM 0 HB3 SER A 59 3.659 -9.883 14.739 1.00 61.33 H new ATOM 0 HG SER A 59 4.634 -11.029 16.512 1.00 13.45 H new ATOM 972 N ILE A 60 5.257 -7.057 13.467 1.00 44.25 N ATOM 973 CA ILE A 60 4.853 -5.798 12.814 1.00 45.21 C ATOM 974 C ILE A 60 5.578 -5.639 11.453 1.00 34.23 C ATOM 975 O ILE A 60 4.966 -5.239 10.465 1.00 41.13 O ATOM 976 CB ILE A 60 5.123 -4.563 13.758 1.00 5.04 C ATOM 977 CG1 ILE A 60 4.282 -4.695 15.074 1.00 61.44 C ATOM 978 CG2 ILE A 60 4.837 -3.217 13.044 1.00 14.11 C ATOM 979 CD1 ILE A 60 4.525 -3.604 16.104 1.00 42.24 C ATOM 0 H ILE A 60 5.765 -6.919 14.341 1.00 44.25 H new ATOM 0 HA ILE A 60 3.781 -5.835 12.622 1.00 45.21 H new ATOM 0 HB ILE A 60 6.182 -4.564 14.018 1.00 5.04 H new ATOM 0 HG12 ILE A 60 3.224 -4.698 14.812 1.00 61.44 H new ATOM 0 HG13 ILE A 60 4.500 -5.660 15.531 1.00 61.44 H new ATOM 0 HG21 ILE A 60 5.035 -2.393 13.729 1.00 14.11 H new ATOM 0 HG22 ILE A 60 5.481 -3.125 12.169 1.00 14.11 H new ATOM 0 HG23 ILE A 60 3.793 -3.186 12.731 1.00 14.11 H new ATOM 0 HD11 ILE A 60 3.898 -3.782 16.978 1.00 42.24 H new ATOM 0 HD12 ILE A 60 5.573 -3.612 16.402 1.00 42.24 H new ATOM 0 HD13 ILE A 60 4.278 -2.634 15.672 1.00 42.24 H new ATOM 991 N GLN A 61 6.865 -6.032 11.417 1.00 15.24 N ATOM 992 CA GLN A 61 7.718 -5.967 10.207 1.00 61.52 C ATOM 993 C GLN A 61 7.170 -6.881 9.090 1.00 12.41 C ATOM 994 O GLN A 61 7.127 -6.483 7.923 1.00 73.11 O ATOM 995 CB GLN A 61 9.176 -6.363 10.578 1.00 24.12 C ATOM 996 CG GLN A 61 10.171 -6.394 9.399 1.00 32.42 C ATOM 997 CD GLN A 61 11.594 -6.780 9.807 1.00 22.51 C ATOM 998 OE1 GLN A 61 11.813 -7.502 10.781 1.00 41.20 O ATOM 999 NE2 GLN A 61 12.570 -6.339 9.041 1.00 13.44 N ATOM 0 H GLN A 61 7.350 -6.407 12.232 1.00 15.24 H new ATOM 0 HA GLN A 61 7.710 -4.946 9.827 1.00 61.52 H new ATOM 0 HB2 GLN A 61 9.546 -5.662 11.326 1.00 24.12 H new ATOM 0 HB3 GLN A 61 9.160 -7.348 11.044 1.00 24.12 H new ATOM 0 HG2 GLN A 61 9.812 -7.101 8.651 1.00 32.42 H new ATOM 0 HG3 GLN A 61 10.191 -5.412 8.926 1.00 32.42 H new ATOM 0 HE21 GLN A 61 12.360 -5.742 8.241 1.00 13.44 H new ATOM 0 HE22 GLN A 61 13.536 -6.594 9.248 1.00 13.44 H new ATOM 1008 N ASP A 62 6.728 -8.090 9.475 1.00 73.42 N ATOM 1009 CA ASP A 62 6.169 -9.083 8.535 1.00 3.35 C ATOM 1010 C ASP A 62 4.803 -8.633 7.985 1.00 65.33 C ATOM 1011 O ASP A 62 4.528 -8.810 6.794 1.00 14.20 O ATOM 1012 CB ASP A 62 6.031 -10.477 9.205 1.00 5.10 C ATOM 1013 CG ASP A 62 7.375 -11.184 9.473 1.00 23.51 C ATOM 1014 OD1 ASP A 62 7.653 -11.568 10.633 1.00 10.53 O ATOM 1015 OD2 ASP A 62 8.142 -11.400 8.509 1.00 51.42 O ATOM 0 H ASP A 62 6.747 -8.408 10.444 1.00 73.42 H new ATOM 0 HA ASP A 62 6.869 -9.161 7.703 1.00 3.35 H new ATOM 0 HB2 ASP A 62 5.498 -10.363 10.149 1.00 5.10 H new ATOM 0 HB3 ASP A 62 5.418 -11.115 8.568 1.00 5.10 H new ATOM 1020 N MET A 63 3.945 -8.067 8.864 1.00 12.15 N ATOM 1021 CA MET A 63 2.610 -7.560 8.457 1.00 33.14 C ATOM 1022 C MET A 63 2.735 -6.357 7.503 1.00 53.43 C ATOM 1023 O MET A 63 2.162 -6.376 6.413 1.00 73.24 O ATOM 1024 CB MET A 63 1.731 -7.184 9.681 1.00 73.54 C ATOM 1025 CG MET A 63 1.326 -8.367 10.564 1.00 62.42 C ATOM 1026 SD MET A 63 0.204 -7.879 11.897 1.00 31.22 S ATOM 1027 CE MET A 63 1.164 -6.627 12.755 1.00 23.01 C ATOM 0 H MET A 63 4.150 -7.949 9.856 1.00 12.15 H new ATOM 0 HA MET A 63 2.115 -8.374 7.928 1.00 33.14 H new ATOM 0 HB2 MET A 63 2.272 -6.461 10.291 1.00 73.54 H new ATOM 0 HB3 MET A 63 0.828 -6.688 9.324 1.00 73.54 H new ATOM 0 HG2 MET A 63 0.846 -9.128 9.949 1.00 62.42 H new ATOM 0 HG3 MET A 63 2.220 -8.820 10.993 1.00 62.42 H new ATOM 0 HE1 MET A 63 0.636 -6.319 13.658 1.00 23.01 H new ATOM 0 HE2 MET A 63 2.137 -7.037 13.025 1.00 23.01 H new ATOM 0 HE3 MET A 63 1.302 -5.764 12.103 1.00 23.01 H new ATOM 1037 N VAL A 64 3.518 -5.341 7.921 1.00 70.53 N ATOM 1038 CA VAL A 64 3.731 -4.102 7.142 1.00 52.25 C ATOM 1039 C VAL A 64 4.380 -4.422 5.785 1.00 21.03 C ATOM 1040 O VAL A 64 3.796 -4.104 4.754 1.00 61.42 O ATOM 1041 CB VAL A 64 4.580 -3.038 7.948 1.00 3.12 C ATOM 1042 CG1 VAL A 64 4.976 -1.827 7.067 1.00 63.35 C ATOM 1043 CG2 VAL A 64 3.806 -2.570 9.205 1.00 54.24 C ATOM 0 H VAL A 64 4.021 -5.356 8.808 1.00 70.53 H new ATOM 0 HA VAL A 64 2.754 -3.655 6.958 1.00 52.25 H new ATOM 0 HB VAL A 64 5.503 -3.524 8.263 1.00 3.12 H new ATOM 0 HG11 VAL A 64 5.558 -1.121 7.659 1.00 63.35 H new ATOM 0 HG12 VAL A 64 5.574 -2.171 6.223 1.00 63.35 H new ATOM 0 HG13 VAL A 64 4.076 -1.336 6.698 1.00 63.35 H new ATOM 0 HG21 VAL A 64 4.403 -1.838 9.749 1.00 54.24 H new ATOM 0 HG22 VAL A 64 2.862 -2.116 8.903 1.00 54.24 H new ATOM 0 HG23 VAL A 64 3.607 -3.426 9.849 1.00 54.24 H new ATOM 1053 N ALA A 65 5.549 -5.108 5.801 1.00 4.50 N ATOM 1054 CA ALA A 65 6.271 -5.483 4.555 1.00 2.35 C ATOM 1055 C ALA A 65 5.418 -6.406 3.668 1.00 3.22 C ATOM 1056 O ALA A 65 5.420 -6.270 2.448 1.00 4.34 O ATOM 1057 CB ALA A 65 7.630 -6.141 4.848 1.00 54.50 C ATOM 0 H ALA A 65 6.012 -5.413 6.657 1.00 4.50 H new ATOM 0 HA ALA A 65 6.458 -4.555 4.015 1.00 2.35 H new ATOM 0 HB1 ALA A 65 8.120 -6.397 3.909 1.00 54.50 H new ATOM 0 HB2 ALA A 65 8.257 -5.447 5.407 1.00 54.50 H new ATOM 0 HB3 ALA A 65 7.477 -7.046 5.436 1.00 54.50 H new ATOM 1063 N GLY A 66 4.666 -7.322 4.306 1.00 45.22 N ATOM 1064 CA GLY A 66 3.749 -8.216 3.590 1.00 52.11 C ATOM 1065 C GLY A 66 2.665 -7.454 2.838 1.00 24.12 C ATOM 1066 O GLY A 66 2.297 -7.825 1.716 1.00 74.13 O ATOM 0 H GLY A 66 4.678 -7.459 5.317 1.00 45.22 H new ATOM 0 HA2 GLY A 66 4.316 -8.826 2.886 1.00 52.11 H new ATOM 0 HA3 GLY A 66 3.283 -8.899 4.300 1.00 52.11 H new ATOM 1070 N TYR A 67 2.187 -6.357 3.453 1.00 31.52 N ATOM 1071 CA TYR A 67 1.182 -5.464 2.844 1.00 40.30 C ATOM 1072 C TYR A 67 1.800 -4.571 1.769 1.00 64.33 C ATOM 1073 O TYR A 67 1.135 -4.266 0.772 1.00 25.10 O ATOM 1074 CB TYR A 67 0.483 -4.596 3.912 1.00 42.21 C ATOM 1075 CG TYR A 67 -0.395 -5.374 4.905 1.00 72.43 C ATOM 1076 CD1 TYR A 67 -0.744 -6.727 4.717 1.00 33.12 C ATOM 1077 CD2 TYR A 67 -0.892 -4.738 6.032 1.00 0.01 C ATOM 1078 CE1 TYR A 67 -1.539 -7.394 5.629 1.00 0.24 C ATOM 1079 CE2 TYR A 67 -1.683 -5.403 6.934 1.00 2.31 C ATOM 1080 CZ TYR A 67 -2.010 -6.724 6.731 1.00 23.33 C ATOM 1081 OH TYR A 67 -2.796 -7.388 7.647 1.00 51.10 O ATOM 0 H TYR A 67 2.485 -6.064 4.384 1.00 31.52 H new ATOM 0 HA TYR A 67 0.436 -6.103 2.371 1.00 40.30 H new ATOM 0 HB2 TYR A 67 1.244 -4.051 4.471 1.00 42.21 H new ATOM 0 HB3 TYR A 67 -0.135 -3.853 3.408 1.00 42.21 H new ATOM 0 HD1 TYR A 67 -0.383 -7.251 3.844 1.00 33.12 H new ATOM 0 HD2 TYR A 67 -0.652 -3.699 6.203 1.00 0.01 H new ATOM 0 HE1 TYR A 67 -1.788 -8.434 5.476 1.00 0.24 H new ATOM 0 HE2 TYR A 67 -2.051 -4.887 7.808 1.00 2.31 H new ATOM 0 HH TYR A 67 -3.047 -6.774 8.369 1.00 51.10 H new ATOM 1091 N ILE A 68 3.077 -4.161 1.977 1.00 10.13 N ATOM 1092 CA ILE A 68 3.834 -3.371 0.985 1.00 34.24 C ATOM 1093 C ILE A 68 3.934 -4.178 -0.319 1.00 32.32 C ATOM 1094 O ILE A 68 3.495 -3.719 -1.370 1.00 62.10 O ATOM 1095 CB ILE A 68 5.289 -2.966 1.462 1.00 35.00 C ATOM 1096 CG1 ILE A 68 5.255 -2.163 2.799 1.00 21.03 C ATOM 1097 CG2 ILE A 68 6.019 -2.150 0.361 1.00 61.35 C ATOM 1098 CD1 ILE A 68 6.616 -1.763 3.344 1.00 63.51 C ATOM 0 H ILE A 68 3.601 -4.368 2.827 1.00 10.13 H new ATOM 0 HA ILE A 68 3.288 -2.439 0.841 1.00 34.24 H new ATOM 0 HB ILE A 68 5.842 -3.888 1.642 1.00 35.00 H new ATOM 0 HG12 ILE A 68 4.662 -1.261 2.648 1.00 21.03 H new ATOM 0 HG13 ILE A 68 4.741 -2.761 3.551 1.00 21.03 H new ATOM 0 HG21 ILE A 68 7.017 -1.882 0.708 1.00 61.35 H new ATOM 0 HG22 ILE A 68 6.100 -2.751 -0.544 1.00 61.35 H new ATOM 0 HG23 ILE A 68 5.454 -1.243 0.145 1.00 61.35 H new ATOM 0 HD11 ILE A 68 6.487 -1.210 4.274 1.00 63.51 H new ATOM 0 HD12 ILE A 68 7.209 -2.658 3.533 1.00 63.51 H new ATOM 0 HD13 ILE A 68 7.129 -1.134 2.616 1.00 63.51 H new ATOM 1110 N LYS A 69 4.431 -5.424 -0.190 1.00 24.25 N ATOM 1111 CA LYS A 69 4.602 -6.348 -1.318 1.00 74.23 C ATOM 1112 C LYS A 69 3.255 -6.619 -1.990 1.00 11.32 C ATOM 1113 O LYS A 69 3.153 -6.520 -3.214 1.00 50.24 O ATOM 1114 CB LYS A 69 5.230 -7.689 -0.853 1.00 64.21 C ATOM 1115 CG LYS A 69 5.636 -8.697 -1.977 1.00 45.11 C ATOM 1116 CD LYS A 69 6.861 -8.266 -2.857 1.00 33.31 C ATOM 1117 CE LYS A 69 6.536 -7.250 -3.978 1.00 74.13 C ATOM 1118 NZ LYS A 69 5.476 -7.735 -4.904 1.00 2.52 N ATOM 0 H LYS A 69 4.725 -5.815 0.705 1.00 24.25 H new ATOM 0 HA LYS A 69 5.277 -5.879 -2.034 1.00 74.23 H new ATOM 0 HB2 LYS A 69 6.117 -7.463 -0.261 1.00 64.21 H new ATOM 0 HB3 LYS A 69 4.522 -8.185 -0.189 1.00 64.21 H new ATOM 0 HG2 LYS A 69 5.862 -9.658 -1.515 1.00 45.11 H new ATOM 0 HG3 LYS A 69 4.777 -8.852 -2.630 1.00 45.11 H new ATOM 0 HD2 LYS A 69 7.623 -7.835 -2.207 1.00 33.31 H new ATOM 0 HD3 LYS A 69 7.295 -9.157 -3.310 1.00 33.31 H new ATOM 0 HE2 LYS A 69 6.218 -6.309 -3.529 1.00 74.13 H new ATOM 0 HE3 LYS A 69 7.442 -7.041 -4.547 1.00 74.13 H new ATOM 0 HZ1 LYS A 69 5.705 -7.445 -5.876 1.00 2.52 H new ATOM 0 HZ2 LYS A 69 5.421 -8.772 -4.856 1.00 2.52 H new ATOM 0 HZ3 LYS A 69 4.560 -7.327 -4.628 1.00 2.52 H new ATOM 1132 N GLN A 70 2.229 -6.896 -1.155 1.00 13.31 N ATOM 1133 CA GLN A 70 0.872 -7.211 -1.624 1.00 55.25 C ATOM 1134 C GLN A 70 0.309 -6.089 -2.497 1.00 50.10 C ATOM 1135 O GLN A 70 -0.212 -6.349 -3.581 1.00 55.22 O ATOM 1136 CB GLN A 70 -0.093 -7.484 -0.438 1.00 44.23 C ATOM 1137 CG GLN A 70 -1.522 -7.870 -0.882 1.00 14.34 C ATOM 1138 CD GLN A 70 -2.495 -8.106 0.268 1.00 65.12 C ATOM 1139 OE1 GLN A 70 -2.384 -7.504 1.337 1.00 2.04 O ATOM 1140 NE2 GLN A 70 -3.449 -9.001 0.063 1.00 55.33 N ATOM 0 H GLN A 70 2.324 -6.906 -0.139 1.00 13.31 H new ATOM 0 HA GLN A 70 0.950 -8.117 -2.225 1.00 55.25 H new ATOM 0 HB2 GLN A 70 0.317 -8.286 0.176 1.00 44.23 H new ATOM 0 HB3 GLN A 70 -0.144 -6.595 0.191 1.00 44.23 H new ATOM 0 HG2 GLN A 70 -1.917 -7.080 -1.520 1.00 14.34 H new ATOM 0 HG3 GLN A 70 -1.469 -8.774 -1.489 1.00 14.34 H new ATOM 0 HE21 GLN A 70 -3.513 -9.482 -0.834 1.00 55.33 H new ATOM 0 HE22 GLN A 70 -4.120 -9.210 0.802 1.00 55.33 H new ATOM 1149 N THR A 71 0.466 -4.834 -2.041 1.00 43.20 N ATOM 1150 CA THR A 71 -0.126 -3.687 -2.723 1.00 63.41 C ATOM 1151 C THR A 71 0.722 -3.284 -3.932 1.00 71.44 C ATOM 1152 O THR A 71 0.209 -2.643 -4.829 1.00 71.44 O ATOM 1153 CB THR A 71 -0.387 -2.476 -1.767 1.00 44.31 C ATOM 1154 OG1 THR A 71 -1.136 -1.460 -2.450 1.00 31.44 O ATOM 1155 CG2 THR A 71 0.881 -1.848 -1.169 1.00 61.42 C ATOM 0 H THR A 71 0.998 -4.596 -1.204 1.00 43.20 H new ATOM 0 HA THR A 71 -1.108 -3.998 -3.080 1.00 63.41 H new ATOM 0 HB THR A 71 -0.951 -2.887 -0.930 1.00 44.31 H new ATOM 0 HG1 THR A 71 -1.963 -1.847 -2.805 1.00 31.44 H new ATOM 0 HG21 THR A 71 0.604 -1.017 -0.520 1.00 61.42 H new ATOM 0 HG22 THR A 71 1.419 -2.598 -0.589 1.00 61.42 H new ATOM 0 HG23 THR A 71 1.520 -1.483 -1.973 1.00 61.42 H new ATOM 1163 N LEU A 72 2.025 -3.668 -3.940 1.00 12.21 N ATOM 1164 CA LEU A 72 2.903 -3.490 -5.122 1.00 42.34 C ATOM 1165 C LEU A 72 2.560 -4.520 -6.207 1.00 2.02 C ATOM 1166 O LEU A 72 2.691 -4.234 -7.407 1.00 3.23 O ATOM 1167 CB LEU A 72 4.413 -3.577 -4.747 1.00 72.21 C ATOM 1168 CG LEU A 72 4.931 -2.466 -3.782 1.00 23.45 C ATOM 1169 CD1 LEU A 72 6.464 -2.506 -3.614 1.00 34.12 C ATOM 1170 CD2 LEU A 72 4.433 -1.074 -4.217 1.00 0.30 C ATOM 0 H LEU A 72 2.488 -4.102 -3.142 1.00 12.21 H new ATOM 0 HA LEU A 72 2.721 -2.489 -5.513 1.00 42.34 H new ATOM 0 HB2 LEU A 72 4.600 -4.548 -4.289 1.00 72.21 H new ATOM 0 HB3 LEU A 72 5.000 -3.539 -5.665 1.00 72.21 H new ATOM 0 HG LEU A 72 4.510 -2.671 -2.798 1.00 23.45 H new ATOM 0 HD11 LEU A 72 6.776 -1.714 -2.933 1.00 34.12 H new ATOM 0 HD12 LEU A 72 6.760 -3.472 -3.206 1.00 34.12 H new ATOM 0 HD13 LEU A 72 6.940 -2.360 -4.584 1.00 34.12 H new ATOM 0 HD21 LEU A 72 4.810 -0.320 -3.526 1.00 0.30 H new ATOM 0 HD22 LEU A 72 4.793 -0.857 -5.223 1.00 0.30 H new ATOM 0 HD23 LEU A 72 3.343 -1.059 -4.211 1.00 0.30 H new ATOM 1182 N ASP A 73 2.113 -5.717 -5.768 1.00 60.21 N ATOM 1183 CA ASP A 73 1.596 -6.751 -6.677 1.00 14.01 C ATOM 1184 C ASP A 73 0.332 -6.221 -7.350 1.00 54.25 C ATOM 1185 O ASP A 73 0.317 -6.026 -8.557 1.00 74.35 O ATOM 1186 CB ASP A 73 1.300 -8.105 -5.959 1.00 21.52 C ATOM 1187 CG ASP A 73 2.565 -8.842 -5.496 1.00 44.54 C ATOM 1188 OD1 ASP A 73 2.735 -9.094 -4.285 1.00 43.30 O ATOM 1189 OD2 ASP A 73 3.416 -9.161 -6.351 1.00 14.43 O ATOM 0 H ASP A 73 2.102 -5.987 -4.784 1.00 60.21 H new ATOM 0 HA ASP A 73 2.368 -6.963 -7.416 1.00 14.01 H new ATOM 0 HB2 ASP A 73 0.662 -7.917 -5.095 1.00 21.52 H new ATOM 0 HB3 ASP A 73 0.740 -8.751 -6.635 1.00 21.52 H new ATOM 1194 N ASN A 74 -0.675 -5.898 -6.514 1.00 42.42 N ATOM 1195 CA ASN A 74 -2.001 -5.400 -6.954 1.00 3.44 C ATOM 1196 C ASN A 74 -1.863 -4.148 -7.845 1.00 11.24 C ATOM 1197 O ASN A 74 -2.542 -4.031 -8.874 1.00 44.33 O ATOM 1198 CB ASN A 74 -2.899 -5.072 -5.726 1.00 44.14 C ATOM 1199 CG ASN A 74 -3.055 -6.223 -4.732 1.00 15.21 C ATOM 1200 OD1 ASN A 74 -2.970 -7.399 -5.093 1.00 74.25 O ATOM 1201 ND2 ASN A 74 -3.291 -5.891 -3.467 1.00 74.50 N ATOM 0 H ASN A 74 -0.593 -5.975 -5.500 1.00 42.42 H new ATOM 0 HA ASN A 74 -2.469 -6.191 -7.540 1.00 3.44 H new ATOM 0 HB2 ASN A 74 -2.480 -4.212 -5.204 1.00 44.14 H new ATOM 0 HB3 ASN A 74 -3.887 -4.779 -6.082 1.00 44.14 H new ATOM 0 HD21 ASN A 74 -3.408 -6.619 -2.762 1.00 74.50 H new ATOM 0 HD22 ASN A 74 -3.355 -4.908 -3.201 1.00 74.50 H new ATOM 1208 N GLU A 75 -0.941 -3.247 -7.442 1.00 22.45 N ATOM 1209 CA GLU A 75 -0.625 -1.999 -8.164 1.00 23.01 C ATOM 1210 C GLU A 75 -0.156 -2.324 -9.585 1.00 61.33 C ATOM 1211 O GLU A 75 -0.783 -1.913 -10.555 1.00 41.04 O ATOM 1212 CB GLU A 75 0.505 -1.216 -7.433 1.00 0.22 C ATOM 1213 CG GLU A 75 0.767 0.224 -7.918 1.00 5.13 C ATOM 1214 CD GLU A 75 -0.227 1.262 -7.356 1.00 51.03 C ATOM 1215 OE1 GLU A 75 -1.251 1.556 -8.013 1.00 61.12 O ATOM 1216 OE2 GLU A 75 0.041 1.826 -6.265 1.00 71.30 O ATOM 0 H GLU A 75 -0.388 -3.370 -6.594 1.00 22.45 H new ATOM 0 HA GLU A 75 -1.527 -1.387 -8.198 1.00 23.01 H new ATOM 0 HB2 GLU A 75 0.263 -1.180 -6.371 1.00 0.22 H new ATOM 0 HB3 GLU A 75 1.431 -1.783 -7.530 1.00 0.22 H new ATOM 0 HG2 GLU A 75 1.779 0.514 -7.635 1.00 5.13 H new ATOM 0 HG3 GLU A 75 0.722 0.244 -9.007 1.00 5.13 H new ATOM 1223 N GLN A 76 0.935 -3.113 -9.668 1.00 45.22 N ATOM 1224 CA GLN A 76 1.633 -3.394 -10.932 1.00 41.32 C ATOM 1225 C GLN A 76 0.818 -4.346 -11.841 1.00 13.42 C ATOM 1226 O GLN A 76 0.952 -4.297 -13.067 1.00 42.35 O ATOM 1227 CB GLN A 76 3.044 -3.960 -10.643 1.00 12.34 C ATOM 1228 CG GLN A 76 3.945 -4.074 -11.887 1.00 23.15 C ATOM 1229 CD GLN A 76 5.343 -4.643 -11.616 1.00 54.30 C ATOM 1230 OE1 GLN A 76 6.313 -4.256 -12.273 1.00 63.23 O ATOM 1231 NE2 GLN A 76 5.459 -5.591 -10.681 1.00 75.21 N ATOM 0 H GLN A 76 1.354 -3.571 -8.859 1.00 45.22 H new ATOM 0 HA GLN A 76 1.739 -2.456 -11.477 1.00 41.32 H new ATOM 0 HB2 GLN A 76 3.536 -3.322 -9.909 1.00 12.34 H new ATOM 0 HB3 GLN A 76 2.942 -4.946 -10.190 1.00 12.34 H new ATOM 0 HG2 GLN A 76 3.447 -4.705 -12.623 1.00 23.15 H new ATOM 0 HG3 GLN A 76 4.050 -3.086 -12.334 1.00 23.15 H new ATOM 0 HE21 GLN A 76 4.639 -5.890 -10.154 1.00 75.21 H new ATOM 0 HE22 GLN A 76 6.368 -6.015 -10.495 1.00 75.21 H new ATOM 1240 N LEU A 77 -0.047 -5.183 -11.231 1.00 72.03 N ATOM 1241 CA LEU A 77 -0.982 -6.059 -11.973 1.00 24.45 C ATOM 1242 C LEU A 77 -2.036 -5.188 -12.688 1.00 71.44 C ATOM 1243 O LEU A 77 -2.346 -5.418 -13.868 1.00 53.43 O ATOM 1244 CB LEU A 77 -1.659 -7.096 -11.027 1.00 52.25 C ATOM 1245 CG LEU A 77 -0.723 -8.193 -10.419 1.00 12.34 C ATOM 1246 CD1 LEU A 77 -1.468 -9.061 -9.383 1.00 61.33 C ATOM 1247 CD2 LEU A 77 -0.081 -9.059 -11.518 1.00 54.53 C ATOM 0 H LEU A 77 -0.118 -5.272 -10.217 1.00 72.03 H new ATOM 0 HA LEU A 77 -0.421 -6.625 -12.717 1.00 24.45 H new ATOM 0 HB2 LEU A 77 -2.130 -6.555 -10.206 1.00 52.25 H new ATOM 0 HB3 LEU A 77 -2.456 -7.594 -11.579 1.00 52.25 H new ATOM 0 HG LEU A 77 0.083 -7.678 -9.896 1.00 12.34 H new ATOM 0 HD11 LEU A 77 -0.788 -9.812 -8.981 1.00 61.33 H new ATOM 0 HD12 LEU A 77 -1.831 -8.429 -8.572 1.00 61.33 H new ATOM 0 HD13 LEU A 77 -2.313 -9.556 -9.863 1.00 61.33 H new ATOM 0 HD21 LEU A 77 0.562 -9.810 -11.060 1.00 54.53 H new ATOM 0 HD22 LEU A 77 -0.863 -9.554 -12.095 1.00 54.53 H new ATOM 0 HD23 LEU A 77 0.512 -8.427 -12.179 1.00 54.53 H new ATOM 1259 N LEU A 78 -2.551 -4.165 -11.959 1.00 74.21 N ATOM 1260 CA LEU A 78 -3.396 -3.100 -12.543 1.00 23.23 C ATOM 1261 C LEU A 78 -2.669 -2.378 -13.681 1.00 24.11 C ATOM 1262 O LEU A 78 -3.232 -2.185 -14.735 1.00 1.23 O ATOM 1263 CB LEU A 78 -3.843 -2.064 -11.461 1.00 34.52 C ATOM 1264 CG LEU A 78 -5.006 -2.518 -10.544 1.00 2.10 C ATOM 1265 CD1 LEU A 78 -5.359 -1.440 -9.506 1.00 74.13 C ATOM 1266 CD2 LEU A 78 -6.226 -2.892 -11.395 1.00 32.30 C ATOM 0 H LEU A 78 -2.392 -4.058 -10.957 1.00 74.21 H new ATOM 0 HA LEU A 78 -4.285 -3.585 -12.945 1.00 23.23 H new ATOM 0 HB2 LEU A 78 -2.983 -1.824 -10.836 1.00 34.52 H new ATOM 0 HB3 LEU A 78 -4.138 -1.143 -11.964 1.00 34.52 H new ATOM 0 HG LEU A 78 -4.684 -3.400 -9.990 1.00 2.10 H new ATOM 0 HD11 LEU A 78 -6.179 -1.792 -8.880 1.00 74.13 H new ATOM 0 HD12 LEU A 78 -4.488 -1.236 -8.883 1.00 74.13 H new ATOM 0 HD13 LEU A 78 -5.661 -0.526 -10.018 1.00 74.13 H new ATOM 0 HD21 LEU A 78 -7.040 -3.210 -10.744 1.00 32.30 H new ATOM 0 HD22 LEU A 78 -6.544 -2.026 -11.976 1.00 32.30 H new ATOM 0 HD23 LEU A 78 -5.963 -3.706 -12.071 1.00 32.30 H new ATOM 1278 N LYS A 79 -1.403 -2.020 -13.450 1.00 14.40 N ATOM 1279 CA LYS A 79 -0.591 -1.238 -14.406 1.00 4.33 C ATOM 1280 C LYS A 79 -0.332 -2.005 -15.719 1.00 22.11 C ATOM 1281 O LYS A 79 -0.362 -1.417 -16.814 1.00 61.31 O ATOM 1282 CB LYS A 79 0.739 -0.821 -13.732 1.00 21.41 C ATOM 1283 CG LYS A 79 0.561 0.078 -12.488 1.00 22.10 C ATOM 1284 CD LYS A 79 -0.217 1.391 -12.771 1.00 13.22 C ATOM 1285 CE LYS A 79 -0.715 2.051 -11.477 1.00 14.54 C ATOM 1286 NZ LYS A 79 -1.631 1.144 -10.725 1.00 21.23 N ATOM 0 H LYS A 79 -0.904 -2.262 -12.594 1.00 14.40 H new ATOM 0 HA LYS A 79 -1.154 -0.345 -14.678 1.00 4.33 H new ATOM 0 HB2 LYS A 79 1.285 -1.719 -13.443 1.00 21.41 H new ATOM 0 HB3 LYS A 79 1.355 -0.295 -14.462 1.00 21.41 H new ATOM 0 HG2 LYS A 79 0.036 -0.485 -11.716 1.00 22.10 H new ATOM 0 HG3 LYS A 79 1.544 0.328 -12.088 1.00 22.10 H new ATOM 0 HD2 LYS A 79 0.428 2.086 -13.309 1.00 13.22 H new ATOM 0 HD3 LYS A 79 -1.066 1.177 -13.420 1.00 13.22 H new ATOM 0 HE2 LYS A 79 0.136 2.314 -10.849 1.00 14.54 H new ATOM 0 HE3 LYS A 79 -1.234 2.979 -11.716 1.00 14.54 H new ATOM 0 HZ1 LYS A 79 -2.598 1.525 -10.754 1.00 21.23 H new ATOM 0 HZ2 LYS A 79 -1.618 0.199 -11.160 1.00 21.23 H new ATOM 0 HZ3 LYS A 79 -1.316 1.074 -9.736 1.00 21.23 H new ATOM 1300 N GLY A 80 -0.110 -3.323 -15.595 1.00 62.25 N ATOM 1301 CA GLY A 80 0.036 -4.212 -16.754 1.00 63.31 C ATOM 1302 C GLY A 80 -1.286 -4.426 -17.479 1.00 43.42 C ATOM 1303 O GLY A 80 -1.309 -4.650 -18.692 1.00 33.35 O ATOM 0 H GLY A 80 -0.028 -3.797 -14.696 1.00 62.25 H new ATOM 0 HA2 GLY A 80 0.765 -3.789 -17.446 1.00 63.31 H new ATOM 0 HA3 GLY A 80 0.429 -5.174 -16.426 1.00 63.31 H new ATOM 1307 N LEU A 81 -2.382 -4.373 -16.710 1.00 15.54 N ATOM 1308 CA LEU A 81 -3.754 -4.413 -17.246 1.00 43.23 C ATOM 1309 C LEU A 81 -4.052 -3.099 -18.026 1.00 4.52 C ATOM 1310 O LEU A 81 -4.592 -3.141 -19.141 1.00 4.45 O ATOM 1311 CB LEU A 81 -4.752 -4.639 -16.056 1.00 50.52 C ATOM 1312 CG LEU A 81 -6.193 -5.179 -16.361 1.00 70.41 C ATOM 1313 CD1 LEU A 81 -6.933 -5.546 -15.053 1.00 24.32 C ATOM 1314 CD2 LEU A 81 -7.034 -4.193 -17.194 1.00 62.25 C ATOM 0 H LEU A 81 -2.344 -4.301 -15.693 1.00 15.54 H new ATOM 0 HA LEU A 81 -3.872 -5.237 -17.950 1.00 43.23 H new ATOM 0 HB2 LEU A 81 -4.281 -5.333 -15.360 1.00 50.52 H new ATOM 0 HB3 LEU A 81 -4.861 -3.689 -15.534 1.00 50.52 H new ATOM 0 HG LEU A 81 -6.066 -6.079 -16.963 1.00 70.41 H new ATOM 0 HD11 LEU A 81 -7.930 -5.918 -15.291 1.00 24.32 H new ATOM 0 HD12 LEU A 81 -6.375 -6.318 -14.523 1.00 24.32 H new ATOM 0 HD13 LEU A 81 -7.017 -4.661 -14.422 1.00 24.32 H new ATOM 0 HD21 LEU A 81 -8.021 -4.619 -17.375 1.00 62.25 H new ATOM 0 HD22 LEU A 81 -7.138 -3.254 -16.650 1.00 62.25 H new ATOM 0 HD23 LEU A 81 -6.539 -4.007 -18.147 1.00 62.25 H new ATOM 1326 N LEU A 82 -3.649 -1.945 -17.443 1.00 74.24 N ATOM 1327 CA LEU A 82 -4.025 -0.606 -17.943 1.00 14.12 C ATOM 1328 C LEU A 82 -3.278 -0.299 -19.256 1.00 64.13 C ATOM 1329 O LEU A 82 -3.903 -0.264 -20.325 1.00 42.41 O ATOM 1330 CB LEU A 82 -3.737 0.473 -16.845 1.00 3.21 C ATOM 1331 CG LEU A 82 -4.628 0.398 -15.554 1.00 45.22 C ATOM 1332 CD1 LEU A 82 -4.019 1.217 -14.393 1.00 73.12 C ATOM 1333 CD2 LEU A 82 -6.083 0.826 -15.837 1.00 3.05 C ATOM 0 H LEU A 82 -3.055 -1.919 -16.614 1.00 74.24 H new ATOM 0 HA LEU A 82 -5.093 -0.585 -18.160 1.00 14.12 H new ATOM 0 HB2 LEU A 82 -2.692 0.389 -16.546 1.00 3.21 H new ATOM 0 HB3 LEU A 82 -3.862 1.459 -17.292 1.00 3.21 H new ATOM 0 HG LEU A 82 -4.650 -0.646 -15.243 1.00 45.22 H new ATOM 0 HD11 LEU A 82 -4.663 1.141 -13.517 1.00 73.12 H new ATOM 0 HD12 LEU A 82 -3.031 0.826 -14.151 1.00 73.12 H new ATOM 0 HD13 LEU A 82 -3.933 2.262 -14.691 1.00 73.12 H new ATOM 0 HD21 LEU A 82 -6.667 0.760 -14.919 1.00 3.05 H new ATOM 0 HD22 LEU A 82 -6.096 1.853 -16.202 1.00 3.05 H new ATOM 0 HD23 LEU A 82 -6.516 0.168 -16.590 1.00 3.05 H new ATOM 1490 N LEU A 92 0.740 11.954 -6.914 1.00 63.35 N ATOM 1491 CA LEU A 92 1.384 11.790 -5.590 1.00 60.14 C ATOM 1492 C LEU A 92 2.334 12.969 -5.289 1.00 70.12 C ATOM 1493 O LEU A 92 2.115 14.078 -5.795 1.00 11.04 O ATOM 1494 CB LEU A 92 2.147 10.429 -5.568 1.00 12.13 C ATOM 1495 CG LEU A 92 1.275 9.141 -5.634 1.00 43.31 C ATOM 1496 CD1 LEU A 92 2.150 7.883 -5.527 1.00 73.25 C ATOM 1497 CD2 LEU A 92 0.180 9.146 -4.553 1.00 32.21 C ATOM 0 HA LEU A 92 0.622 11.787 -4.811 1.00 60.14 H new ATOM 0 HB2 LEU A 92 2.841 10.414 -6.408 1.00 12.13 H new ATOM 0 HB3 LEU A 92 2.746 10.389 -4.658 1.00 12.13 H new ATOM 0 HG LEU A 92 0.777 9.127 -6.604 1.00 43.31 H new ATOM 0 HD11 LEU A 92 1.519 6.996 -5.575 1.00 73.25 H new ATOM 0 HD12 LEU A 92 2.864 7.866 -6.350 1.00 73.25 H new ATOM 0 HD13 LEU A 92 2.689 7.894 -4.579 1.00 73.25 H new ATOM 0 HD21 LEU A 92 -0.410 8.232 -4.628 1.00 32.21 H new ATOM 0 HD22 LEU A 92 0.642 9.200 -3.567 1.00 32.21 H new ATOM 0 HD23 LEU A 92 -0.469 10.010 -4.697 1.00 32.21 H new ATOM 1509 N ILE A 93 3.344 12.715 -4.408 1.00 72.23 N ATOM 1510 CA ILE A 93 4.513 13.603 -4.163 1.00 60.13 C ATOM 1511 C ILE A 93 5.052 14.188 -5.488 1.00 64.13 C ATOM 1512 O ILE A 93 5.398 15.369 -5.576 1.00 30.14 O ATOM 1513 CB ILE A 93 5.662 12.807 -3.410 1.00 22.41 C ATOM 1514 CG1 ILE A 93 5.137 12.234 -2.050 1.00 43.22 C ATOM 1515 CG2 ILE A 93 6.931 13.677 -3.189 1.00 21.24 C ATOM 1516 CD1 ILE A 93 6.113 11.338 -1.307 1.00 41.32 C ATOM 0 H ILE A 93 3.366 11.869 -3.838 1.00 72.23 H new ATOM 0 HA ILE A 93 4.183 14.430 -3.534 1.00 60.13 H new ATOM 0 HB ILE A 93 5.952 11.975 -4.052 1.00 22.41 H new ATOM 0 HG12 ILE A 93 4.868 13.068 -1.402 1.00 43.22 H new ATOM 0 HG13 ILE A 93 4.223 11.671 -2.240 1.00 43.22 H new ATOM 0 HG21 ILE A 93 7.689 13.090 -2.671 1.00 21.24 H new ATOM 0 HG22 ILE A 93 7.321 14.003 -4.153 1.00 21.24 H new ATOM 0 HG23 ILE A 93 6.674 14.549 -2.588 1.00 21.24 H new ATOM 0 HD11 ILE A 93 5.656 10.993 -0.379 1.00 41.32 H new ATOM 0 HD12 ILE A 93 6.365 10.479 -1.929 1.00 41.32 H new ATOM 0 HD13 ILE A 93 7.020 11.898 -1.078 1.00 41.32 H new ATOM 1528 N GLY A 94 5.094 13.333 -6.513 1.00 64.50 N ATOM 1529 CA GLY A 94 5.349 13.758 -7.884 1.00 34.12 C ATOM 1530 C GLY A 94 4.938 12.670 -8.864 1.00 3.03 C ATOM 1531 O GLY A 94 4.018 11.888 -8.572 1.00 32.32 O ATOM 0 H GLY A 94 4.952 12.328 -6.412 1.00 64.50 H new ATOM 0 HA2 GLY A 94 4.797 14.674 -8.096 1.00 34.12 H new ATOM 0 HA3 GLY A 94 6.407 13.987 -8.009 1.00 34.12 H new ATOM 1535 N GLN A 95 5.603 12.626 -10.033 1.00 21.24 N ATOM 1536 CA GLN A 95 5.484 11.494 -10.970 1.00 61.43 C ATOM 1537 C GLN A 95 6.261 10.283 -10.403 1.00 41.15 C ATOM 1538 O GLN A 95 7.086 10.439 -9.485 1.00 61.21 O ATOM 1539 CB GLN A 95 6.021 11.873 -12.379 1.00 73.15 C ATOM 1540 CG GLN A 95 7.550 12.060 -12.453 1.00 10.21 C ATOM 1541 CD GLN A 95 8.086 12.411 -13.848 1.00 20.14 C ATOM 1542 OE1 GLN A 95 9.098 13.104 -13.974 1.00 0.14 O ATOM 1543 NE2 GLN A 95 7.438 11.919 -14.906 1.00 25.25 N ATOM 0 H GLN A 95 6.230 13.364 -10.352 1.00 21.24 H new ATOM 0 HA GLN A 95 4.431 11.235 -11.079 1.00 61.43 H new ATOM 0 HB2 GLN A 95 5.728 11.097 -13.086 1.00 73.15 H new ATOM 0 HB3 GLN A 95 5.539 12.796 -12.701 1.00 73.15 H new ATOM 0 HG2 GLN A 95 7.840 12.848 -11.758 1.00 10.21 H new ATOM 0 HG3 GLN A 95 8.031 11.143 -12.114 1.00 10.21 H new ATOM 0 HE21 GLN A 95 6.603 11.348 -14.773 1.00 25.25 H new ATOM 0 HE22 GLN A 95 7.778 12.113 -15.848 1.00 25.25 H new ATOM 1552 N SER A 96 6.033 9.102 -11.003 1.00 51.42 N ATOM 1553 CA SER A 96 6.506 7.791 -10.506 1.00 41.44 C ATOM 1554 C SER A 96 6.159 7.582 -9.005 1.00 72.12 C ATOM 1555 O SER A 96 5.069 7.082 -8.694 1.00 45.24 O ATOM 1556 CB SER A 96 8.016 7.545 -10.840 1.00 3.30 C ATOM 1557 OG SER A 96 8.873 8.529 -10.291 1.00 73.03 O ATOM 0 H SER A 96 5.501 9.027 -11.870 1.00 51.42 H new ATOM 0 HA SER A 96 5.959 7.019 -11.047 1.00 41.44 H new ATOM 0 HB2 SER A 96 8.310 6.565 -10.464 1.00 3.30 H new ATOM 0 HB3 SER A 96 8.144 7.523 -11.922 1.00 3.30 H new ATOM 0 HG SER A 96 8.337 9.275 -9.948 1.00 73.03 H new ATOM 1563 N THR A 97 7.066 8.036 -8.107 1.00 34.03 N ATOM 1564 CA THR A 97 6.906 8.004 -6.640 1.00 63.12 C ATOM 1565 C THR A 97 6.617 6.577 -6.083 1.00 63.12 C ATOM 1566 O THR A 97 7.529 5.916 -5.624 1.00 73.45 O ATOM 1567 CB THR A 97 5.823 9.037 -6.144 1.00 23.10 C ATOM 1568 OG1 THR A 97 6.110 10.344 -6.671 1.00 61.32 O ATOM 1569 CG2 THR A 97 5.755 9.127 -4.609 1.00 23.53 C ATOM 0 H THR A 97 7.954 8.446 -8.396 1.00 34.03 H new ATOM 0 HA THR A 97 7.871 8.305 -6.233 1.00 63.12 H new ATOM 0 HB THR A 97 4.859 8.680 -6.506 1.00 23.10 H new ATOM 0 HG1 THR A 97 6.316 10.273 -7.627 1.00 61.32 H new ATOM 0 HG21 THR A 97 4.994 9.852 -4.320 1.00 23.53 H new ATOM 0 HG22 THR A 97 5.500 8.150 -4.198 1.00 23.53 H new ATOM 0 HG23 THR A 97 6.723 9.443 -4.220 1.00 23.53 H new ATOM 1577 N ARG A 98 5.353 6.116 -6.213 1.00 3.01 N ATOM 1578 CA ARG A 98 4.804 4.898 -5.565 1.00 71.32 C ATOM 1579 C ARG A 98 5.714 3.651 -5.659 1.00 13.01 C ATOM 1580 O ARG A 98 5.981 3.018 -4.637 1.00 54.43 O ATOM 1581 CB ARG A 98 3.407 4.586 -6.166 1.00 3.32 C ATOM 1582 CG ARG A 98 3.379 4.333 -7.699 1.00 70.00 C ATOM 1583 CD ARG A 98 2.096 4.842 -8.368 1.00 21.24 C ATOM 1584 NE ARG A 98 0.889 4.349 -7.682 1.00 14.33 N ATOM 1585 CZ ARG A 98 -0.121 5.102 -7.223 1.00 65.11 C ATOM 1586 NH1 ARG A 98 -0.087 6.428 -7.348 1.00 11.35 N ATOM 1587 NH2 ARG A 98 -1.156 4.522 -6.634 1.00 43.33 N ATOM 0 H ARG A 98 4.662 6.595 -6.790 1.00 3.01 H new ATOM 0 HA ARG A 98 4.734 5.123 -4.501 1.00 71.32 H new ATOM 0 HB2 ARG A 98 3.002 3.708 -5.663 1.00 3.32 H new ATOM 0 HB3 ARG A 98 2.740 5.418 -5.941 1.00 3.32 H new ATOM 0 HG2 ARG A 98 4.239 4.821 -8.158 1.00 70.00 H new ATOM 0 HG3 ARG A 98 3.481 3.264 -7.887 1.00 70.00 H new ATOM 0 HD2 ARG A 98 2.094 5.932 -8.369 1.00 21.24 H new ATOM 0 HD3 ARG A 98 2.078 4.523 -9.410 1.00 21.24 H new ATOM 0 HE ARG A 98 0.815 3.341 -7.543 1.00 14.33 H new ATOM 0 HH11 ARG A 98 0.712 6.878 -7.796 1.00 11.35 H new ATOM 0 HH12 ARG A 98 -0.860 6.993 -6.996 1.00 11.35 H new ATOM 0 HH21 ARG A 98 -1.182 3.507 -6.531 1.00 43.33 H new ATOM 0 HH22 ARG A 98 -1.927 5.090 -6.283 1.00 43.33 H new ATOM 1601 N GLN A 99 6.222 3.333 -6.867 1.00 1.53 N ATOM 1602 CA GLN A 99 7.045 2.133 -7.083 1.00 64.41 C ATOM 1603 C GLN A 99 8.390 2.286 -6.358 1.00 0.40 C ATOM 1604 O GLN A 99 8.754 1.445 -5.539 1.00 63.33 O ATOM 1605 CB GLN A 99 7.257 1.869 -8.601 1.00 23.12 C ATOM 1606 CG GLN A 99 8.136 0.633 -8.928 1.00 64.52 C ATOM 1607 CD GLN A 99 7.581 -0.703 -8.413 1.00 64.43 C ATOM 1608 OE1 GLN A 99 6.370 -0.908 -8.344 1.00 4.34 O ATOM 1609 NE2 GLN A 99 8.466 -1.619 -8.037 1.00 55.45 N ATOM 0 H GLN A 99 6.075 3.893 -7.706 1.00 1.53 H new ATOM 0 HA GLN A 99 6.521 1.271 -6.670 1.00 64.41 H new ATOM 0 HB2 GLN A 99 6.283 1.740 -9.073 1.00 23.12 H new ATOM 0 HB3 GLN A 99 7.714 2.751 -9.049 1.00 23.12 H new ATOM 0 HG2 GLN A 99 8.259 0.567 -10.009 1.00 64.52 H new ATOM 0 HG3 GLN A 99 9.128 0.787 -8.503 1.00 64.52 H new ATOM 0 HE21 GLN A 99 9.464 -1.422 -8.105 1.00 55.45 H new ATOM 0 HE22 GLN A 99 8.147 -2.520 -7.680 1.00 55.45 H new ATOM 1618 N LYS A 100 9.071 3.416 -6.620 1.00 74.34 N ATOM 1619 CA LYS A 100 10.386 3.723 -6.027 1.00 62.01 C ATOM 1620 C LYS A 100 10.304 3.794 -4.489 1.00 74.10 C ATOM 1621 O LYS A 100 11.111 3.183 -3.797 1.00 32.23 O ATOM 1622 CB LYS A 100 10.943 5.066 -6.595 1.00 51.42 C ATOM 1623 CG LYS A 100 12.267 5.525 -5.935 1.00 21.15 C ATOM 1624 CD LYS A 100 12.843 6.842 -6.509 1.00 1.34 C ATOM 1625 CE LYS A 100 14.091 7.304 -5.729 1.00 53.32 C ATOM 1626 NZ LYS A 100 14.749 8.502 -6.324 1.00 53.35 N ATOM 0 H LYS A 100 8.726 4.142 -7.248 1.00 74.34 H new ATOM 0 HA LYS A 100 11.067 2.915 -6.295 1.00 62.01 H new ATOM 0 HB2 LYS A 100 11.102 4.957 -7.668 1.00 51.42 H new ATOM 0 HB3 LYS A 100 10.192 5.845 -6.461 1.00 51.42 H new ATOM 0 HG2 LYS A 100 12.101 5.651 -4.865 1.00 21.15 H new ATOM 0 HG3 LYS A 100 13.010 4.736 -6.052 1.00 21.15 H new ATOM 0 HD2 LYS A 100 13.101 6.700 -7.558 1.00 1.34 H new ATOM 0 HD3 LYS A 100 12.081 7.620 -6.471 1.00 1.34 H new ATOM 0 HE2 LYS A 100 13.806 7.528 -4.701 1.00 53.32 H new ATOM 0 HE3 LYS A 100 14.810 6.485 -5.690 1.00 53.32 H new ATOM 0 HZ1 LYS A 100 15.579 8.761 -5.754 1.00 53.35 H new ATOM 0 HZ2 LYS A 100 15.050 8.286 -7.296 1.00 53.35 H new ATOM 0 HZ3 LYS A 100 14.077 9.296 -6.338 1.00 53.35 H new ATOM 1640 N SER A 101 9.279 4.481 -3.994 1.00 24.30 N ATOM 1641 CA SER A 101 9.151 4.864 -2.583 1.00 4.30 C ATOM 1642 C SER A 101 8.793 3.654 -1.717 1.00 30.44 C ATOM 1643 O SER A 101 9.404 3.436 -0.674 1.00 42.44 O ATOM 1644 CB SER A 101 8.081 5.972 -2.430 1.00 73.04 C ATOM 1645 OG SER A 101 8.026 6.477 -1.104 1.00 2.33 O ATOM 0 H SER A 101 8.497 4.795 -4.569 1.00 24.30 H new ATOM 0 HA SER A 101 10.112 5.249 -2.243 1.00 4.30 H new ATOM 0 HB2 SER A 101 8.301 6.787 -3.120 1.00 73.04 H new ATOM 0 HB3 SER A 101 7.105 5.574 -2.708 1.00 73.04 H new ATOM 0 HG SER A 101 7.118 6.789 -0.910 1.00 2.33 H new ATOM 1651 N LEU A 102 7.801 2.866 -2.172 1.00 42.42 N ATOM 1652 CA LEU A 102 7.295 1.709 -1.413 1.00 23.34 C ATOM 1653 C LEU A 102 8.239 0.495 -1.540 1.00 63.35 C ATOM 1654 O LEU A 102 8.399 -0.258 -0.578 1.00 33.24 O ATOM 1655 CB LEU A 102 5.852 1.339 -1.853 1.00 4.35 C ATOM 1656 CG LEU A 102 4.680 2.226 -1.308 1.00 45.45 C ATOM 1657 CD1 LEU A 102 4.807 3.715 -1.685 1.00 52.43 C ATOM 1658 CD2 LEU A 102 3.318 1.643 -1.751 1.00 10.00 C ATOM 0 H LEU A 102 7.333 3.012 -3.066 1.00 42.42 H new ATOM 0 HA LEU A 102 7.264 1.995 -0.362 1.00 23.34 H new ATOM 0 HB2 LEU A 102 5.815 1.365 -2.942 1.00 4.35 H new ATOM 0 HB3 LEU A 102 5.662 0.309 -1.552 1.00 4.35 H new ATOM 0 HG LEU A 102 4.743 2.197 -0.220 1.00 45.45 H new ATOM 0 HD11 LEU A 102 3.962 4.268 -1.275 1.00 52.43 H new ATOM 0 HD12 LEU A 102 5.735 4.116 -1.277 1.00 52.43 H new ATOM 0 HD13 LEU A 102 4.814 3.816 -2.770 1.00 52.43 H new ATOM 0 HD21 LEU A 102 2.512 2.268 -1.366 1.00 10.00 H new ATOM 0 HD22 LEU A 102 3.270 1.618 -2.840 1.00 10.00 H new ATOM 0 HD23 LEU A 102 3.211 0.631 -1.360 1.00 10.00 H new ATOM 1670 N ASN A 103 8.867 0.306 -2.723 1.00 72.14 N ATOM 1671 CA ASN A 103 9.832 -0.808 -2.930 1.00 12.23 C ATOM 1672 C ASN A 103 11.129 -0.529 -2.137 1.00 51.32 C ATOM 1673 O ASN A 103 11.737 -1.447 -1.575 1.00 52.53 O ATOM 1674 CB ASN A 103 10.125 -1.032 -4.445 1.00 52.43 C ATOM 1675 CG ASN A 103 10.729 -2.406 -4.776 1.00 41.04 C ATOM 1676 OD1 ASN A 103 10.443 -3.409 -4.112 1.00 62.14 O ATOM 1677 ND2 ASN A 103 11.544 -2.471 -5.819 1.00 30.54 N ATOM 0 H ASN A 103 8.728 0.899 -3.541 1.00 72.14 H new ATOM 0 HA ASN A 103 9.387 -1.730 -2.555 1.00 12.23 H new ATOM 0 HB2 ASN A 103 9.197 -0.912 -5.004 1.00 52.43 H new ATOM 0 HB3 ASN A 103 10.808 -0.255 -4.790 1.00 52.43 H new ATOM 0 HD21 ASN A 103 11.953 -3.365 -6.092 1.00 30.54 H new ATOM 0 HD22 ASN A 103 11.763 -1.627 -6.349 1.00 30.54 H new ATOM 1684 N ASN A 104 11.521 0.765 -2.063 1.00 74.43 N ATOM 1685 CA ASN A 104 12.645 1.210 -1.211 1.00 25.22 C ATOM 1686 C ASN A 104 12.269 1.029 0.265 1.00 52.24 C ATOM 1687 O ASN A 104 13.054 0.516 1.036 1.00 51.44 O ATOM 1688 CB ASN A 104 13.029 2.687 -1.493 1.00 74.12 C ATOM 1689 CG ASN A 104 14.283 3.158 -0.742 1.00 73.50 C ATOM 1690 OD1 ASN A 104 14.200 3.716 0.354 1.00 43.13 O ATOM 1691 ND2 ASN A 104 15.455 2.910 -1.318 1.00 12.44 N ATOM 0 H ASN A 104 11.073 1.519 -2.585 1.00 74.43 H new ATOM 0 HA ASN A 104 13.516 0.598 -1.446 1.00 25.22 H new ATOM 0 HB2 ASN A 104 13.190 2.812 -2.564 1.00 74.12 H new ATOM 0 HB3 ASN A 104 12.191 3.329 -1.220 1.00 74.12 H new ATOM 0 HD21 ASN A 104 16.320 3.183 -0.852 1.00 12.44 H new ATOM 0 HD22 ASN A 104 15.489 2.446 -2.226 1.00 12.44 H new ATOM 1698 N ALA A 105 11.025 1.416 0.617 1.00 73.30 N ATOM 1699 CA ALA A 105 10.488 1.286 1.994 1.00 20.40 C ATOM 1700 C ALA A 105 10.461 -0.181 2.458 1.00 52.41 C ATOM 1701 O ALA A 105 10.695 -0.470 3.635 1.00 11.25 O ATOM 1702 CB ALA A 105 9.082 1.894 2.077 1.00 1.11 C ATOM 0 H ALA A 105 10.363 1.827 -0.042 1.00 73.30 H new ATOM 0 HA ALA A 105 11.155 1.833 2.661 1.00 20.40 H new ATOM 0 HB1 ALA A 105 8.701 1.791 3.093 1.00 1.11 H new ATOM 0 HB2 ALA A 105 9.126 2.950 1.811 1.00 1.11 H new ATOM 0 HB3 ALA A 105 8.419 1.373 1.386 1.00 1.11 H new ATOM 1708 N TYR A 106 10.191 -1.094 1.506 1.00 43.22 N ATOM 1709 CA TYR A 106 10.215 -2.543 1.750 1.00 14.21 C ATOM 1710 C TYR A 106 11.656 -2.973 2.077 1.00 15.34 C ATOM 1711 O TYR A 106 11.898 -3.616 3.101 1.00 22.01 O ATOM 1712 CB TYR A 106 9.702 -3.324 0.503 1.00 41.11 C ATOM 1713 CG TYR A 106 9.481 -4.836 0.733 1.00 73.41 C ATOM 1714 CD1 TYR A 106 10.551 -5.736 0.877 1.00 64.42 C ATOM 1715 CD2 TYR A 106 8.201 -5.369 0.802 1.00 11.40 C ATOM 1716 CE1 TYR A 106 10.342 -7.085 1.080 1.00 34.11 C ATOM 1717 CE2 TYR A 106 8.001 -6.710 1.005 1.00 52.15 C ATOM 1718 CZ TYR A 106 9.061 -7.565 1.143 1.00 1.42 C ATOM 1719 OH TYR A 106 8.830 -8.906 1.339 1.00 34.54 O ATOM 0 H TYR A 106 9.950 -0.845 0.547 1.00 43.22 H new ATOM 0 HA TYR A 106 9.558 -2.772 2.589 1.00 14.21 H new ATOM 0 HB2 TYR A 106 8.763 -2.879 0.174 1.00 41.11 H new ATOM 0 HB3 TYR A 106 10.417 -3.195 -0.309 1.00 41.11 H new ATOM 0 HD1 TYR A 106 11.563 -5.362 0.828 1.00 64.42 H new ATOM 0 HD2 TYR A 106 7.348 -4.716 0.694 1.00 11.40 H new ATOM 0 HE1 TYR A 106 11.181 -7.756 1.188 1.00 34.11 H new ATOM 0 HE2 TYR A 106 6.994 -7.097 1.057 1.00 52.15 H new ATOM 0 HH TYR A 106 7.864 -9.072 1.359 1.00 34.54 H new ATOM 1729 N GLY A 107 12.595 -2.595 1.179 1.00 71.51 N ATOM 1730 CA GLY A 107 14.013 -2.962 1.311 1.00 73.03 C ATOM 1731 C GLY A 107 14.651 -2.393 2.568 1.00 21.04 C ATOM 1732 O GLY A 107 15.474 -3.054 3.213 1.00 10.11 O ATOM 0 H GLY A 107 12.388 -2.033 0.353 1.00 71.51 H new ATOM 0 HA2 GLY A 107 14.104 -4.048 1.322 1.00 73.03 H new ATOM 0 HA3 GLY A 107 14.559 -2.606 0.438 1.00 73.03 H new ATOM 1736 N ARG A 108 14.227 -1.175 2.940 1.00 44.31 N ATOM 1737 CA ARG A 108 14.726 -0.489 4.138 1.00 72.44 C ATOM 1738 C ARG A 108 14.117 -1.105 5.404 1.00 3.41 C ATOM 1739 O ARG A 108 14.772 -1.148 6.441 1.00 11.14 O ATOM 1740 CB ARG A 108 14.449 1.039 4.092 1.00 63.51 C ATOM 1741 CG ARG A 108 15.136 1.803 2.935 1.00 53.22 C ATOM 1742 CD ARG A 108 16.648 1.550 2.834 1.00 1.33 C ATOM 1743 NE ARG A 108 17.270 2.323 1.744 1.00 61.01 N ATOM 1744 CZ ARG A 108 18.213 1.863 0.903 1.00 65.23 C ATOM 1745 NH1 ARG A 108 18.664 0.613 0.987 1.00 21.14 N ATOM 1746 NH2 ARG A 108 18.724 2.676 -0.011 1.00 62.33 N ATOM 0 H ARG A 108 13.531 -0.641 2.420 1.00 44.31 H new ATOM 0 HA ARG A 108 15.807 -0.624 4.162 1.00 72.44 H new ATOM 0 HB2 ARG A 108 13.373 1.194 4.019 1.00 63.51 H new ATOM 0 HB3 ARG A 108 14.771 1.478 5.036 1.00 63.51 H new ATOM 0 HG2 ARG A 108 14.666 1.517 1.994 1.00 53.22 H new ATOM 0 HG3 ARG A 108 14.964 2.871 3.065 1.00 53.22 H new ATOM 0 HD2 ARG A 108 17.123 1.812 3.780 1.00 1.33 H new ATOM 0 HD3 ARG A 108 16.827 0.487 2.671 1.00 1.33 H new ATOM 0 HE ARG A 108 16.960 3.286 1.617 1.00 61.01 H new ATOM 0 HH11 ARG A 108 18.294 -0.016 1.699 1.00 21.14 H new ATOM 0 HH12 ARG A 108 19.380 0.284 0.339 1.00 21.14 H new ATOM 0 HH21 ARG A 108 18.401 3.642 -0.072 1.00 62.33 H new ATOM 0 HH22 ARG A 108 19.440 2.336 -0.653 1.00 62.33 H new ATOM 1760 N LEU A 109 12.845 -1.557 5.327 1.00 54.40 N ATOM 1761 CA LEU A 109 12.163 -2.224 6.468 1.00 13.02 C ATOM 1762 C LEU A 109 12.827 -3.568 6.755 1.00 40.55 C ATOM 1763 O LEU A 109 13.092 -3.920 7.910 1.00 22.43 O ATOM 1764 CB LEU A 109 10.648 -2.404 6.199 1.00 21.20 C ATOM 1765 CG LEU A 109 9.793 -2.996 7.369 1.00 24.33 C ATOM 1766 CD1 LEU A 109 9.899 -2.147 8.662 1.00 70.34 C ATOM 1767 CD2 LEU A 109 8.327 -3.150 6.935 1.00 50.44 C ATOM 0 H LEU A 109 12.268 -1.474 4.490 1.00 54.40 H new ATOM 0 HA LEU A 109 12.261 -1.585 7.345 1.00 13.02 H new ATOM 0 HB2 LEU A 109 10.232 -1.433 5.931 1.00 21.20 H new ATOM 0 HB3 LEU A 109 10.531 -3.052 5.330 1.00 21.20 H new ATOM 0 HG LEU A 109 10.198 -3.981 7.603 1.00 24.33 H new ATOM 0 HD11 LEU A 109 9.289 -2.598 9.444 1.00 70.34 H new ATOM 0 HD12 LEU A 109 10.938 -2.110 8.989 1.00 70.34 H new ATOM 0 HD13 LEU A 109 9.545 -1.136 8.463 1.00 70.34 H new ATOM 0 HD21 LEU A 109 7.745 -3.563 7.759 1.00 50.44 H new ATOM 0 HD22 LEU A 109 7.925 -2.175 6.659 1.00 50.44 H new ATOM 0 HD23 LEU A 109 8.270 -3.822 6.078 1.00 50.44 H new ATOM 1779 N SER A 110 13.142 -4.268 5.660 1.00 74.23 N ATOM 1780 CA SER A 110 13.776 -5.575 5.678 1.00 24.42 C ATOM 1781 C SER A 110 15.225 -5.447 6.199 1.00 74.24 C ATOM 1782 O SER A 110 15.695 -6.322 6.928 1.00 74.42 O ATOM 1783 CB SER A 110 13.750 -6.181 4.248 1.00 75.11 C ATOM 1784 OG SER A 110 14.282 -7.493 4.229 1.00 45.33 O ATOM 0 H SER A 110 12.955 -3.926 4.717 1.00 74.23 H new ATOM 0 HA SER A 110 13.231 -6.241 6.348 1.00 24.42 H new ATOM 0 HB2 SER A 110 12.725 -6.198 3.878 1.00 75.11 H new ATOM 0 HB3 SER A 110 14.323 -5.546 3.572 1.00 75.11 H new ATOM 0 HG SER A 110 14.250 -7.846 3.315 1.00 45.33 H new ATOM 1790 N GLY A 111 15.933 -4.361 5.805 1.00 14.40 N ATOM 1791 CA GLY A 111 17.327 -4.175 6.216 1.00 11.55 C ATOM 1792 C GLY A 111 17.483 -3.407 7.533 1.00 61.20 C ATOM 1793 O GLY A 111 17.934 -3.987 8.534 1.00 73.33 O ATOM 0 H GLY A 111 15.561 -3.618 5.213 1.00 14.40 H new ATOM 0 HA2 GLY A 111 17.800 -5.152 6.317 1.00 11.55 H new ATOM 0 HA3 GLY A 111 17.861 -3.642 5.429 1.00 11.55 H new ATOM 1797 N MET A 112 17.077 -2.113 7.564 1.00 62.22 N ATOM 1798 CA MET A 112 17.271 -1.263 8.761 1.00 45.43 C ATOM 1799 C MET A 112 16.024 -1.280 9.672 1.00 33.22 C ATOM 1800 O MET A 112 16.053 -1.953 10.708 1.00 73.12 O ATOM 1801 CB MET A 112 17.623 0.197 8.323 1.00 42.51 C ATOM 1802 CG MET A 112 18.062 1.128 9.469 1.00 1.45 C ATOM 1803 SD MET A 112 16.735 1.455 10.652 1.00 63.14 S ATOM 1804 CE MET A 112 17.606 2.117 12.048 1.00 24.33 C ATOM 0 H MET A 112 16.619 -1.642 6.784 1.00 62.22 H new ATOM 0 HA MET A 112 18.101 -1.668 9.341 1.00 45.43 H new ATOM 0 HB2 MET A 112 18.421 0.156 7.581 1.00 42.51 H new ATOM 0 HB3 MET A 112 16.753 0.634 7.832 1.00 42.51 H new ATOM 0 HG2 MET A 112 18.907 0.680 9.992 1.00 1.45 H new ATOM 0 HG3 MET A 112 18.411 2.072 9.051 1.00 1.45 H new ATOM 0 HE1 MET A 112 16.896 2.356 12.840 1.00 24.33 H new ATOM 0 HE2 MET A 112 18.322 1.381 12.413 1.00 24.33 H new ATOM 0 HE3 MET A 112 18.136 3.022 11.751 1.00 24.33 H new ATOM 1814 N LEU A 113 14.909 -0.616 9.210 1.00 44.30 N ATOM 1815 CA LEU A 113 13.601 -0.478 9.946 1.00 22.10 C ATOM 1816 C LEU A 113 12.672 0.546 9.216 1.00 21.21 C ATOM 1817 O LEU A 113 11.941 1.320 9.857 1.00 43.43 O ATOM 1818 CB LEU A 113 13.798 -0.052 11.458 1.00 31.13 C ATOM 1819 CG LEU A 113 13.741 -1.203 12.521 1.00 45.40 C ATOM 1820 CD1 LEU A 113 14.166 -0.727 13.922 1.00 63.21 C ATOM 1821 CD2 LEU A 113 12.342 -1.841 12.550 1.00 32.44 C ATOM 0 H LEU A 113 14.895 -0.155 8.300 1.00 44.30 H new ATOM 0 HA LEU A 113 13.131 -1.461 9.946 1.00 22.10 H new ATOM 0 HB2 LEU A 113 14.762 0.449 11.549 1.00 31.13 H new ATOM 0 HB3 LEU A 113 13.032 0.682 11.708 1.00 31.13 H new ATOM 0 HG LEU A 113 14.462 -1.962 12.218 1.00 45.40 H new ATOM 0 HD11 LEU A 113 14.110 -1.561 14.622 1.00 63.21 H new ATOM 0 HD12 LEU A 113 15.189 -0.353 13.884 1.00 63.21 H new ATOM 0 HD13 LEU A 113 13.501 0.070 14.253 1.00 63.21 H new ATOM 0 HD21 LEU A 113 12.321 -2.638 13.293 1.00 32.44 H new ATOM 0 HD22 LEU A 113 11.602 -1.084 12.809 1.00 32.44 H new ATOM 0 HD23 LEU A 113 12.110 -2.254 11.568 1.00 32.44 H new ATOM 1833 N LEU A 114 12.759 0.537 7.870 1.00 64.45 N ATOM 1834 CA LEU A 114 11.946 1.357 6.903 1.00 75.30 C ATOM 1835 C LEU A 114 12.528 2.770 6.725 1.00 3.02 C ATOM 1836 O LEU A 114 12.304 3.424 5.697 1.00 45.33 O ATOM 1837 CB LEU A 114 10.410 1.344 7.228 1.00 24.34 C ATOM 1838 CG LEU A 114 9.397 1.553 6.029 1.00 23.43 C ATOM 1839 CD1 LEU A 114 8.049 0.834 6.294 1.00 64.53 C ATOM 1840 CD2 LEU A 114 9.146 3.049 5.714 1.00 42.44 C ATOM 0 H LEU A 114 13.426 -0.066 7.388 1.00 64.45 H new ATOM 0 HA LEU A 114 12.026 0.872 5.930 1.00 75.30 H new ATOM 0 HB2 LEU A 114 10.176 0.390 7.701 1.00 24.34 H new ATOM 0 HB3 LEU A 114 10.218 2.122 7.967 1.00 24.34 H new ATOM 0 HG LEU A 114 9.870 1.106 5.154 1.00 23.43 H new ATOM 0 HD11 LEU A 114 7.377 0.998 5.451 1.00 64.53 H new ATOM 0 HD12 LEU A 114 8.224 -0.235 6.415 1.00 64.53 H new ATOM 0 HD13 LEU A 114 7.596 1.233 7.202 1.00 64.53 H new ATOM 0 HD21 LEU A 114 8.444 3.133 4.884 1.00 42.44 H new ATOM 0 HD22 LEU A 114 8.729 3.541 6.593 1.00 42.44 H new ATOM 0 HD23 LEU A 114 10.088 3.527 5.443 1.00 42.44 H new