USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=28 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 100 LYS NZ :NH3+ -152:sc= -0.396 (180deg=-2.32!) USER MOD Set 1.2: A 103 ASN : amide:sc= 0.117 K(o=-0.28,f=-6.9!) USER MOD Set 2.1: A 18 SER OG : rot -83:sc= 0.778 USER MOD Set 2.2: A 19 GLN : amide:sc= -0.154 K(o=-1.2,f=-2.8!) USER MOD Set 2.3: A 40 TYR OH : rot -165:sc= -0.124 USER MOD Set 2.4: A 71 THR OG1 : rot -90:sc= -1.63! USER MOD Set 2.5: A 74 ASN : amide:sc= -0.11 K(o=-1.2,f=-2.3) USER MOD Set 3.1: A 9 ASN : amide:sc= 0.00711 X(o=-0.0069,f=-0.022) USER MOD Set 3.2: A 12 GLN : amide:sc= -0.014 K(o=-0.0069,f=-2.4!) USER MOD Set 3.3: A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -148:sc= 0 (180deg=-0.0212) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) 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 -157:sc= 0.206 USER MOD Single : A 20 SER OG : rot 69:sc= 0.985 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 35 GLN :FLIP amide:sc= -1.11 F(o=-2.8!,f=-1.1) USER MOD Single : A 36 GLN : amide:sc= -0.0209 X(o=-0.021,f=-0.021) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 43 SER OG : rot 86:sc= 1.48 USER MOD Single : A 46 THR OG1 : rot 75:sc= 1.09 USER MOD Single : A 48 MET CE :methyl -176:sc= -1.86! (180deg=-1.87!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 52 THR OG1 : rot -64:sc= -0.0254 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.432 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.961 K(o=0.96,f=-3.8!) USER MOD Single : A 63 MET CE :methyl 180:sc= -1.26 (180deg=-1.26) USER MOD Single : A 69 LYS NZ :NH3+ -114:sc= 0.468 (180deg=-0.0564) USER MOD Single : A 70 GLN : amide:sc= -0.993 K(o=-0.99,f=-3.4!) USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 151:sc= 0.368 (180deg=-0.869) USER MOD Single : A 95 GLN : amide:sc= -0.255 K(o=-0.26,f=-2.7!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.315 X(o=-0.32,f=-0.095) USER MOD Single : A 101 SER OG : rot 57:sc= 1.13 USER MOD Single : A 104 ASN : amide:sc= 0.0721 K(o=0.072,f=-2.3!) 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 -169:sc=-0.00243 (180deg=-0.153) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.086 1.211 21.529 1.00 14.32 N ATOM 2 CA MET A 1 1.804 1.645 20.303 1.00 51.20 C ATOM 3 C MET A 1 0.830 2.328 19.313 1.00 13.52 C ATOM 4 O MET A 1 0.713 1.914 18.163 1.00 53.41 O ATOM 5 CB MET A 1 2.546 0.429 19.650 1.00 24.13 C ATOM 6 CG MET A 1 1.638 -0.736 19.220 1.00 34.54 C ATOM 7 SD MET A 1 2.487 -1.949 18.193 1.00 72.10 S ATOM 8 CE MET A 1 1.100 -2.915 17.579 1.00 31.15 C ATOM 0 H1 MET A 1 1.756 0.755 22.181 1.00 14.32 H new ATOM 0 H2 MET A 1 0.660 2.039 21.993 1.00 14.32 H new ATOM 0 H3 MET A 1 0.338 0.535 21.273 1.00 14.32 H new ATOM 0 HA MET A 1 2.558 2.384 20.575 1.00 51.20 H new ATOM 0 HB2 MET A 1 3.093 0.784 18.777 1.00 24.13 H new ATOM 0 HB3 MET A 1 3.284 0.052 20.357 1.00 24.13 H new ATOM 0 HG2 MET A 1 1.246 -1.231 20.109 1.00 34.54 H new ATOM 0 HG3 MET A 1 0.783 -0.340 18.673 1.00 34.54 H new ATOM 0 HE1 MET A 1 1.412 -3.949 17.436 1.00 31.15 H new ATOM 0 HE2 MET A 1 0.284 -2.879 18.300 1.00 31.15 H new ATOM 0 HE3 MET A 1 0.762 -2.503 16.628 1.00 31.15 H new ATOM 20 N THR A 2 0.168 3.413 19.763 1.00 42.22 N ATOM 21 CA THR A 2 -0.910 4.086 18.998 1.00 14.05 C ATOM 22 C THR A 2 -0.463 4.500 17.568 1.00 52.31 C ATOM 23 O THR A 2 -1.213 4.302 16.611 1.00 23.32 O ATOM 24 CB THR A 2 -1.496 5.327 19.771 1.00 25.42 C ATOM 25 OG1 THR A 2 -2.593 5.901 19.035 1.00 13.43 O ATOM 26 CG2 THR A 2 -0.440 6.417 20.044 1.00 74.22 C ATOM 0 H THR A 2 0.362 3.849 20.664 1.00 42.22 H new ATOM 0 HA THR A 2 -1.702 3.345 18.891 1.00 14.05 H new ATOM 0 HB THR A 2 -1.841 4.956 20.736 1.00 25.42 H new ATOM 0 HG1 THR A 2 -2.950 6.670 19.526 1.00 13.43 H new ATOM 0 HG21 THR A 2 -0.903 7.246 20.579 1.00 74.22 H new ATOM 0 HG22 THR A 2 0.366 6.000 20.648 1.00 74.22 H new ATOM 0 HG23 THR A 2 -0.035 6.776 19.098 1.00 74.22 H new ATOM 34 N SER A 3 0.783 5.005 17.430 1.00 14.41 N ATOM 35 CA SER A 3 1.333 5.465 16.136 1.00 53.22 C ATOM 36 C SER A 3 1.654 4.276 15.206 1.00 34.43 C ATOM 37 O SER A 3 1.550 4.395 13.983 1.00 23.33 O ATOM 38 CB SER A 3 2.600 6.306 16.381 1.00 73.03 C ATOM 39 OG SER A 3 2.342 7.346 17.313 1.00 61.05 O ATOM 0 H SER A 3 1.433 5.105 18.209 1.00 14.41 H new ATOM 0 HA SER A 3 0.579 6.078 15.642 1.00 53.22 H new ATOM 0 HB2 SER A 3 3.400 5.667 16.755 1.00 73.03 H new ATOM 0 HB3 SER A 3 2.947 6.733 15.440 1.00 73.03 H new ATOM 0 HG SER A 3 3.159 7.867 17.456 1.00 61.05 H new ATOM 45 N THR A 4 2.053 3.139 15.809 1.00 50.05 N ATOM 46 CA THR A 4 2.360 1.906 15.072 1.00 44.02 C ATOM 47 C THR A 4 1.060 1.232 14.593 1.00 10.14 C ATOM 48 O THR A 4 1.007 0.743 13.480 1.00 52.31 O ATOM 49 CB THR A 4 3.200 0.908 15.938 1.00 53.41 C ATOM 50 OG1 THR A 4 4.390 1.563 16.412 1.00 14.54 O ATOM 51 CG2 THR A 4 3.590 -0.361 15.156 1.00 1.43 C ATOM 0 H THR A 4 2.170 3.054 16.819 1.00 50.05 H new ATOM 0 HA THR A 4 2.961 2.180 14.205 1.00 44.02 H new ATOM 0 HB THR A 4 2.576 0.599 16.777 1.00 53.41 H new ATOM 0 HG1 THR A 4 5.071 0.891 16.623 1.00 14.54 H new ATOM 0 HG21 THR A 4 4.171 -1.021 15.800 1.00 1.43 H new ATOM 0 HG22 THR A 4 2.688 -0.877 14.827 1.00 1.43 H new ATOM 0 HG23 THR A 4 4.187 -0.084 14.287 1.00 1.43 H new ATOM 59 N VAL A 5 0.009 1.252 15.440 1.00 40.43 N ATOM 60 CA VAL A 5 -1.322 0.713 15.094 1.00 30.23 C ATOM 61 C VAL A 5 -1.914 1.528 13.930 1.00 10.25 C ATOM 62 O VAL A 5 -2.496 0.960 13.003 1.00 21.32 O ATOM 63 CB VAL A 5 -2.300 0.722 16.335 1.00 20.44 C ATOM 64 CG1 VAL A 5 -3.734 0.267 15.957 1.00 64.04 C ATOM 65 CG2 VAL A 5 -1.741 -0.152 17.483 1.00 21.14 C ATOM 0 H VAL A 5 0.060 1.642 16.381 1.00 40.43 H new ATOM 0 HA VAL A 5 -1.204 -0.327 14.790 1.00 30.23 H new ATOM 0 HB VAL A 5 -2.367 1.754 16.678 1.00 20.44 H new ATOM 0 HG11 VAL A 5 -4.368 0.290 16.843 1.00 64.04 H new ATOM 0 HG12 VAL A 5 -4.141 0.939 15.201 1.00 64.04 H new ATOM 0 HG13 VAL A 5 -3.701 -0.748 15.561 1.00 64.04 H new ATOM 0 HG21 VAL A 5 -2.431 -0.130 18.326 1.00 21.14 H new ATOM 0 HG22 VAL A 5 -1.625 -1.179 17.135 1.00 21.14 H new ATOM 0 HG23 VAL A 5 -0.772 0.236 17.797 1.00 21.14 H new ATOM 75 N GLU A 6 -1.714 2.863 13.990 1.00 0.41 N ATOM 76 CA GLU A 6 -2.037 3.785 12.888 1.00 41.44 C ATOM 77 C GLU A 6 -1.297 3.376 11.606 1.00 34.43 C ATOM 78 O GLU A 6 -1.916 3.188 10.569 1.00 53.32 O ATOM 79 CB GLU A 6 -1.652 5.247 13.269 1.00 63.34 C ATOM 80 CG GLU A 6 -2.607 5.932 14.258 1.00 41.40 C ATOM 81 CD GLU A 6 -3.970 6.269 13.629 1.00 0.34 C ATOM 82 OE1 GLU A 6 -4.034 7.212 12.808 1.00 42.12 O ATOM 83 OE2 GLU A 6 -4.969 5.590 13.926 1.00 25.30 O ATOM 0 H GLU A 6 -1.323 3.329 14.808 1.00 0.41 H new ATOM 0 HA GLU A 6 -3.111 3.734 12.709 1.00 41.44 H new ATOM 0 HB2 GLU A 6 -0.650 5.243 13.698 1.00 63.34 H new ATOM 0 HB3 GLU A 6 -1.606 5.844 12.358 1.00 63.34 H new ATOM 0 HG2 GLU A 6 -2.760 5.282 15.119 1.00 41.40 H new ATOM 0 HG3 GLU A 6 -2.145 6.848 14.628 1.00 41.40 H new ATOM 90 N PHE A 7 0.029 3.202 11.732 1.00 42.21 N ATOM 91 CA PHE A 7 0.940 2.946 10.602 1.00 12.22 C ATOM 92 C PHE A 7 0.584 1.620 9.879 1.00 54.43 C ATOM 93 O PHE A 7 0.541 1.579 8.646 1.00 42.21 O ATOM 94 CB PHE A 7 2.407 2.931 11.121 1.00 11.03 C ATOM 95 CG PHE A 7 3.465 2.975 10.028 1.00 11.23 C ATOM 96 CD1 PHE A 7 3.669 4.146 9.293 1.00 52.04 C ATOM 97 CD2 PHE A 7 4.253 1.862 9.727 1.00 64.31 C ATOM 98 CE1 PHE A 7 4.625 4.205 8.301 1.00 25.41 C ATOM 99 CE2 PHE A 7 5.207 1.927 8.736 1.00 74.22 C ATOM 100 CZ PHE A 7 5.388 3.097 8.021 1.00 34.24 C ATOM 0 H PHE A 7 0.505 3.235 12.633 1.00 42.21 H new ATOM 0 HA PHE A 7 0.830 3.745 9.868 1.00 12.22 H new ATOM 0 HB2 PHE A 7 2.553 3.784 11.784 1.00 11.03 H new ATOM 0 HB3 PHE A 7 2.558 2.032 11.719 1.00 11.03 H new ATOM 0 HD1 PHE A 7 3.069 5.018 9.505 1.00 52.04 H new ATOM 0 HD2 PHE A 7 4.113 0.943 10.276 1.00 64.31 H new ATOM 0 HE1 PHE A 7 4.774 5.119 7.746 1.00 25.41 H new ATOM 0 HE2 PHE A 7 5.815 1.062 8.517 1.00 74.22 H new ATOM 0 HZ PHE A 7 6.132 3.140 7.239 1.00 34.24 H new ATOM 110 N ILE A 8 0.306 0.561 10.676 1.00 50.30 N ATOM 111 CA ILE A 8 -0.125 -0.757 10.169 1.00 64.01 C ATOM 112 C ILE A 8 -1.480 -0.613 9.467 1.00 31.11 C ATOM 113 O ILE A 8 -1.662 -1.133 8.380 1.00 61.12 O ATOM 114 CB ILE A 8 -0.269 -1.834 11.319 1.00 21.42 C ATOM 115 CG1 ILE A 8 1.071 -2.039 12.090 1.00 44.20 C ATOM 116 CG2 ILE A 8 -0.790 -3.190 10.766 1.00 1.13 C ATOM 117 CD1 ILE A 8 0.932 -2.849 13.374 1.00 11.25 C ATOM 0 H ILE A 8 0.376 0.601 11.693 1.00 50.30 H new ATOM 0 HA ILE A 8 0.645 -1.102 9.479 1.00 64.01 H new ATOM 0 HB ILE A 8 -1.005 -1.447 12.023 1.00 21.42 H new ATOM 0 HG12 ILE A 8 1.783 -2.539 11.433 1.00 44.20 H new ATOM 0 HG13 ILE A 8 1.491 -1.063 12.332 1.00 44.20 H new ATOM 0 HG21 ILE A 8 -0.877 -3.907 11.583 1.00 1.13 H new ATOM 0 HG22 ILE A 8 -1.767 -3.044 10.306 1.00 1.13 H new ATOM 0 HG23 ILE A 8 -0.092 -3.572 10.021 1.00 1.13 H new ATOM 0 HD11 ILE A 8 1.908 -2.946 13.850 1.00 11.25 H new ATOM 0 HD12 ILE A 8 0.246 -2.341 14.052 1.00 11.25 H new ATOM 0 HD13 ILE A 8 0.543 -3.840 13.139 1.00 11.25 H new ATOM 129 N ASN A 9 -2.405 0.125 10.116 1.00 1.40 N ATOM 130 CA ASN A 9 -3.786 0.329 9.628 1.00 75.35 C ATOM 131 C ASN A 9 -3.811 1.165 8.333 1.00 4.24 C ATOM 132 O ASN A 9 -4.723 1.026 7.513 1.00 5.40 O ATOM 133 CB ASN A 9 -4.648 0.986 10.736 1.00 52.40 C ATOM 134 CG ASN A 9 -6.110 1.187 10.333 1.00 21.53 C ATOM 135 OD1 ASN A 9 -6.516 2.274 9.922 1.00 20.25 O ATOM 136 ND2 ASN A 9 -6.902 0.128 10.412 1.00 71.22 N ATOM 0 H ASN A 9 -2.214 0.599 10.999 1.00 1.40 H new ATOM 0 HA ASN A 9 -4.211 -0.645 9.387 1.00 75.35 H new ATOM 0 HB2 ASN A 9 -4.608 0.366 11.632 1.00 52.40 H new ATOM 0 HB3 ASN A 9 -4.215 1.952 10.997 1.00 52.40 H new ATOM 0 HD21 ASN A 9 -7.879 0.199 10.128 1.00 71.22 H new ATOM 0 HD22 ASN A 9 -6.535 -0.759 10.757 1.00 71.22 H new ATOM 143 N ARG A 10 -2.794 2.019 8.161 1.00 51.23 N ATOM 144 CA ARG A 10 -2.620 2.838 6.951 1.00 74.24 C ATOM 145 C ARG A 10 -1.959 2.004 5.834 1.00 73.41 C ATOM 146 O ARG A 10 -2.189 2.250 4.643 1.00 14.42 O ATOM 147 CB ARG A 10 -1.820 4.120 7.292 1.00 51.15 C ATOM 148 CG ARG A 10 -2.587 5.093 8.215 1.00 74.11 C ATOM 149 CD ARG A 10 -1.775 6.334 8.614 1.00 33.44 C ATOM 150 NE ARG A 10 -2.480 7.145 9.630 1.00 41.01 N ATOM 151 CZ ARG A 10 -2.778 8.450 9.524 1.00 34.15 C ATOM 152 NH1 ARG A 10 -2.453 9.142 8.427 1.00 21.31 N ATOM 153 NH2 ARG A 10 -3.405 9.057 10.522 1.00 31.33 N ATOM 0 H ARG A 10 -2.065 2.163 8.859 1.00 51.23 H new ATOM 0 HA ARG A 10 -3.593 3.155 6.576 1.00 74.24 H new ATOM 0 HB2 ARG A 10 -0.883 3.838 7.772 1.00 51.15 H new ATOM 0 HB3 ARG A 10 -1.562 4.635 6.367 1.00 51.15 H new ATOM 0 HG2 ARG A 10 -3.500 5.413 7.713 1.00 74.11 H new ATOM 0 HG3 ARG A 10 -2.889 4.562 9.117 1.00 74.11 H new ATOM 0 HD2 ARG A 10 -0.805 6.025 9.004 1.00 33.44 H new ATOM 0 HD3 ARG A 10 -1.584 6.943 7.731 1.00 33.44 H new ATOM 0 HE ARG A 10 -2.765 6.671 10.487 1.00 41.01 H new ATOM 0 HH11 ARG A 10 -1.972 8.679 7.656 1.00 21.31 H new ATOM 0 HH12 ARG A 10 -2.686 10.133 8.361 1.00 21.31 H new ATOM 0 HH21 ARG A 10 -3.656 8.533 11.360 1.00 31.33 H new ATOM 0 HH22 ARG A 10 -3.636 10.048 10.452 1.00 31.33 H new ATOM 167 N TRP A 11 -1.157 0.998 6.225 1.00 61.14 N ATOM 168 CA TRP A 11 -0.680 -0.033 5.285 1.00 41.35 C ATOM 169 C TRP A 11 -1.807 -1.020 4.938 1.00 4.02 C ATOM 170 O TRP A 11 -1.801 -1.578 3.847 1.00 43.10 O ATOM 171 CB TRP A 11 0.581 -0.773 5.816 1.00 44.12 C ATOM 172 CG TRP A 11 1.857 -0.002 5.568 1.00 2.22 C ATOM 173 CD1 TRP A 11 2.672 0.581 6.489 1.00 30.34 C ATOM 174 CD2 TRP A 11 2.433 0.297 4.281 1.00 43.22 C ATOM 175 NE1 TRP A 11 3.727 1.191 5.862 1.00 73.23 N ATOM 176 CE2 TRP A 11 3.602 1.042 4.513 1.00 73.25 C ATOM 177 CE3 TRP A 11 2.077 0.004 2.958 1.00 24.42 C ATOM 178 CZ2 TRP A 11 4.416 1.496 3.481 1.00 72.30 C ATOM 179 CZ3 TRP A 11 2.880 0.460 1.934 1.00 1.04 C ATOM 180 CH2 TRP A 11 4.042 1.202 2.201 1.00 2.02 C ATOM 0 H TRP A 11 -0.826 0.877 7.182 1.00 61.14 H new ATOM 0 HA TRP A 11 -0.381 0.476 4.369 1.00 41.35 H new ATOM 0 HB2 TRP A 11 0.470 -0.950 6.886 1.00 44.12 H new ATOM 0 HB3 TRP A 11 0.653 -1.750 5.337 1.00 44.12 H new ATOM 0 HD1 TRP A 11 2.511 0.565 7.557 1.00 30.34 H new ATOM 0 HE1 TRP A 11 4.488 1.681 6.332 1.00 73.23 H new ATOM 0 HE3 TRP A 11 1.188 -0.570 2.744 1.00 24.42 H new ATOM 0 HZ2 TRP A 11 5.313 2.062 3.685 1.00 72.30 H new ATOM 0 HZ3 TRP A 11 2.611 0.243 0.911 1.00 1.04 H new ATOM 0 HH2 TRP A 11 4.651 1.547 1.379 1.00 2.02 H new ATOM 191 N GLN A 12 -2.779 -1.220 5.865 1.00 31.33 N ATOM 192 CA GLN A 12 -4.014 -1.973 5.567 1.00 23.12 C ATOM 193 C GLN A 12 -4.833 -1.162 4.569 1.00 13.10 C ATOM 194 O GLN A 12 -5.426 -1.709 3.661 1.00 32.31 O ATOM 195 CB GLN A 12 -4.899 -2.244 6.823 1.00 41.21 C ATOM 196 CG GLN A 12 -4.209 -2.984 7.971 1.00 30.55 C ATOM 197 CD GLN A 12 -5.173 -3.463 9.053 1.00 51.22 C ATOM 198 OE1 GLN A 12 -5.501 -2.725 9.986 1.00 40.41 O ATOM 199 NE2 GLN A 12 -5.618 -4.710 8.952 1.00 62.31 N ATOM 0 H GLN A 12 -2.727 -0.869 6.821 1.00 31.33 H new ATOM 0 HA GLN A 12 -3.714 -2.944 5.173 1.00 23.12 H new ATOM 0 HB2 GLN A 12 -5.267 -1.289 7.199 1.00 41.21 H new ATOM 0 HB3 GLN A 12 -5.770 -2.822 6.514 1.00 41.21 H new ATOM 0 HG2 GLN A 12 -3.672 -3.843 7.568 1.00 30.55 H new ATOM 0 HG3 GLN A 12 -3.466 -2.326 8.422 1.00 30.55 H new ATOM 0 HE21 GLN A 12 -5.327 -5.293 8.168 1.00 62.31 H new ATOM 0 HE22 GLN A 12 -6.251 -5.084 9.659 1.00 62.31 H new ATOM 208 N ARG A 13 -4.828 0.162 4.766 1.00 62.25 N ATOM 209 CA ARG A 13 -5.547 1.104 3.914 1.00 62.33 C ATOM 210 C ARG A 13 -5.086 0.949 2.451 1.00 64.43 C ATOM 211 O ARG A 13 -5.903 0.638 1.590 1.00 73.43 O ATOM 212 CB ARG A 13 -5.342 2.545 4.440 1.00 4.31 C ATOM 213 CG ARG A 13 -6.120 3.643 3.702 1.00 32.12 C ATOM 214 CD ARG A 13 -7.644 3.517 3.826 1.00 62.35 C ATOM 215 NE ARG A 13 -8.325 4.640 3.158 1.00 44.22 N ATOM 216 CZ ARG A 13 -9.657 4.773 3.009 1.00 5.31 C ATOM 217 NH1 ARG A 13 -10.497 3.849 3.479 1.00 52.12 N ATOM 218 NH2 ARG A 13 -10.139 5.851 2.408 1.00 30.14 N ATOM 0 H ARG A 13 -4.319 0.609 5.529 1.00 62.25 H new ATOM 0 HA ARG A 13 -6.615 0.890 3.943 1.00 62.33 H new ATOM 0 HB2 ARG A 13 -5.624 2.571 5.492 1.00 4.31 H new ATOM 0 HB3 ARG A 13 -4.279 2.782 4.389 1.00 4.31 H new ATOM 0 HG2 ARG A 13 -5.813 4.615 4.089 1.00 32.12 H new ATOM 0 HG3 ARG A 13 -5.848 3.620 2.647 1.00 32.12 H new ATOM 0 HD2 ARG A 13 -7.971 2.575 3.385 1.00 62.35 H new ATOM 0 HD3 ARG A 13 -7.925 3.491 4.879 1.00 62.35 H new ATOM 0 HE ARG A 13 -7.737 5.380 2.775 1.00 44.22 H new ATOM 0 HH11 ARG A 13 -10.133 3.026 3.960 1.00 52.12 H new ATOM 0 HH12 ARG A 13 -11.503 3.965 3.358 1.00 52.12 H new ATOM 0 HH21 ARG A 13 -9.503 6.570 2.063 1.00 30.14 H new ATOM 0 HH22 ARG A 13 -11.146 5.962 2.290 1.00 30.14 H new ATOM 232 N ILE A 14 -3.767 1.071 2.200 1.00 71.14 N ATOM 233 CA ILE A 14 -3.212 0.936 0.828 1.00 72.50 C ATOM 234 C ILE A 14 -3.417 -0.507 0.283 1.00 24.13 C ATOM 235 O ILE A 14 -3.881 -0.683 -0.847 1.00 64.15 O ATOM 236 CB ILE A 14 -1.680 1.301 0.755 1.00 53.13 C ATOM 237 CG1 ILE A 14 -1.364 2.612 1.528 1.00 1.55 C ATOM 238 CG2 ILE A 14 -1.220 1.440 -0.719 1.00 13.31 C ATOM 239 CD1 ILE A 14 0.119 2.924 1.623 1.00 73.25 C ATOM 0 H ILE A 14 -3.068 1.261 2.918 1.00 71.14 H new ATOM 0 HA ILE A 14 -3.760 1.647 0.209 1.00 72.50 H new ATOM 0 HB ILE A 14 -1.132 0.486 1.228 1.00 53.13 H new ATOM 0 HG12 ILE A 14 -1.870 3.443 1.037 1.00 1.55 H new ATOM 0 HG13 ILE A 14 -1.776 2.538 2.535 1.00 1.55 H new ATOM 0 HG21 ILE A 14 -0.160 1.692 -0.747 1.00 13.31 H new ATOM 0 HG22 ILE A 14 -1.383 0.497 -1.241 1.00 13.31 H new ATOM 0 HG23 ILE A 14 -1.793 2.229 -1.206 1.00 13.31 H new ATOM 0 HD11 ILE A 14 0.261 3.853 2.176 1.00 73.25 H new ATOM 0 HD12 ILE A 14 0.629 2.112 2.141 1.00 73.25 H new ATOM 0 HD13 ILE A 14 0.533 3.032 0.620 1.00 73.25 H new ATOM 251 N ALA A 15 -3.104 -1.518 1.133 1.00 21.23 N ATOM 252 CA ALA A 15 -3.157 -2.961 0.778 1.00 64.31 C ATOM 253 C ALA A 15 -4.563 -3.394 0.309 1.00 42.00 C ATOM 254 O ALA A 15 -4.726 -4.024 -0.745 1.00 35.51 O ATOM 255 CB ALA A 15 -2.720 -3.817 1.988 1.00 44.45 C ATOM 0 H ALA A 15 -2.805 -1.353 2.094 1.00 21.23 H new ATOM 0 HA ALA A 15 -2.471 -3.119 -0.054 1.00 64.31 H new ATOM 0 HB1 ALA A 15 -2.761 -4.873 1.721 1.00 44.45 H new ATOM 0 HB2 ALA A 15 -1.701 -3.554 2.271 1.00 44.45 H new ATOM 0 HB3 ALA A 15 -3.389 -3.629 2.827 1.00 44.45 H new ATOM 261 N LEU A 16 -5.565 -3.005 1.102 1.00 52.31 N ATOM 262 CA LEU A 16 -6.969 -3.436 0.919 1.00 3.41 C ATOM 263 C LEU A 16 -7.643 -2.642 -0.208 1.00 44.43 C ATOM 264 O LEU A 16 -8.451 -3.206 -0.950 1.00 40.22 O ATOM 265 CB LEU A 16 -7.794 -3.294 2.231 1.00 73.53 C ATOM 266 CG LEU A 16 -7.285 -4.091 3.474 1.00 31.05 C ATOM 267 CD1 LEU A 16 -8.178 -3.833 4.707 1.00 41.41 C ATOM 268 CD2 LEU A 16 -7.152 -5.593 3.171 1.00 23.21 C ATOM 0 H LEU A 16 -5.433 -2.379 1.896 1.00 52.31 H new ATOM 0 HA LEU A 16 -6.945 -4.491 0.647 1.00 3.41 H new ATOM 0 HB2 LEU A 16 -7.830 -2.237 2.497 1.00 73.53 H new ATOM 0 HB3 LEU A 16 -8.818 -3.606 2.024 1.00 73.53 H new ATOM 0 HG LEU A 16 -6.286 -3.725 3.711 1.00 31.05 H new ATOM 0 HD11 LEU A 16 -7.799 -4.401 5.556 1.00 41.41 H new ATOM 0 HD12 LEU A 16 -8.167 -2.770 4.948 1.00 41.41 H new ATOM 0 HD13 LEU A 16 -9.199 -4.145 4.488 1.00 41.41 H new ATOM 0 HD21 LEU A 16 -6.795 -6.113 4.060 1.00 23.21 H new ATOM 0 HD22 LEU A 16 -8.124 -5.993 2.881 1.00 23.21 H new ATOM 0 HD23 LEU A 16 -6.442 -5.738 2.356 1.00 23.21 H new ATOM 280 N LEU A 17 -7.320 -1.328 -0.318 1.00 35.42 N ATOM 281 CA LEU A 17 -7.851 -0.478 -1.405 1.00 70.34 C ATOM 282 C LEU A 17 -7.379 -0.997 -2.772 1.00 70.24 C ATOM 283 O LEU A 17 -8.195 -1.176 -3.664 1.00 20.24 O ATOM 284 CB LEU A 17 -7.465 1.022 -1.232 1.00 44.30 C ATOM 285 CG LEU A 17 -8.164 1.806 -0.078 1.00 23.05 C ATOM 286 CD1 LEU A 17 -7.688 3.275 -0.036 1.00 63.23 C ATOM 287 CD2 LEU A 17 -9.696 1.714 -0.183 1.00 14.10 C ATOM 0 H LEU A 17 -6.700 -0.841 0.329 1.00 35.42 H new ATOM 0 HA LEU A 17 -8.938 -0.537 -1.353 1.00 70.34 H new ATOM 0 HB2 LEU A 17 -6.388 1.078 -1.076 1.00 44.30 H new ATOM 0 HB3 LEU A 17 -7.679 1.537 -2.169 1.00 44.30 H new ATOM 0 HG LEU A 17 -7.875 1.338 0.863 1.00 23.05 H new ATOM 0 HD11 LEU A 17 -8.191 3.797 0.778 1.00 63.23 H new ATOM 0 HD12 LEU A 17 -6.610 3.304 0.126 1.00 63.23 H new ATOM 0 HD13 LEU A 17 -7.926 3.762 -0.982 1.00 63.23 H new ATOM 0 HD21 LEU A 17 -10.151 2.271 0.636 1.00 14.10 H new ATOM 0 HD22 LEU A 17 -10.022 2.136 -1.134 1.00 14.10 H new ATOM 0 HD23 LEU A 17 -10.003 0.670 -0.126 1.00 14.10 H new ATOM 299 N SER A 18 -6.062 -1.277 -2.899 1.00 13.03 N ATOM 300 CA SER A 18 -5.464 -1.778 -4.151 1.00 1.32 C ATOM 301 C SER A 18 -6.012 -3.165 -4.509 1.00 62.55 C ATOM 302 O SER A 18 -6.210 -3.463 -5.689 1.00 22.31 O ATOM 303 CB SER A 18 -3.936 -1.847 -4.032 1.00 54.53 C ATOM 304 OG SER A 18 -3.546 -2.700 -2.971 1.00 42.35 O ATOM 0 H SER A 18 -5.390 -1.162 -2.140 1.00 13.03 H new ATOM 0 HA SER A 18 -5.731 -1.080 -4.944 1.00 1.32 H new ATOM 0 HB2 SER A 18 -3.511 -2.208 -4.968 1.00 54.53 H new ATOM 0 HB3 SER A 18 -3.535 -0.847 -3.865 1.00 54.53 H new ATOM 0 HG SER A 18 -3.570 -2.203 -2.126 1.00 42.35 H new ATOM 310 N GLN A 19 -6.216 -4.015 -3.475 1.00 60.23 N ATOM 311 CA GLN A 19 -6.833 -5.343 -3.642 1.00 33.12 C ATOM 312 C GLN A 19 -8.261 -5.211 -4.203 1.00 61.42 C ATOM 313 O GLN A 19 -8.645 -5.956 -5.105 1.00 10.31 O ATOM 314 CB GLN A 19 -6.836 -6.118 -2.298 1.00 31.22 C ATOM 315 CG GLN A 19 -7.375 -7.565 -2.383 1.00 63.34 C ATOM 316 CD GLN A 19 -6.630 -8.430 -3.410 1.00 31.05 C ATOM 317 OE1 GLN A 19 -7.038 -8.541 -4.568 1.00 44.12 O ATOM 318 NE2 GLN A 19 -5.521 -9.025 -3.004 1.00 64.14 N ATOM 0 H GLN A 19 -5.959 -3.798 -2.512 1.00 60.23 H new ATOM 0 HA GLN A 19 -6.239 -5.910 -4.358 1.00 33.12 H new ATOM 0 HB2 GLN A 19 -5.818 -6.147 -1.910 1.00 31.22 H new ATOM 0 HB3 GLN A 19 -7.437 -5.564 -1.577 1.00 31.22 H new ATOM 0 HG2 GLN A 19 -7.299 -8.032 -1.401 1.00 63.34 H new ATOM 0 HG3 GLN A 19 -8.434 -7.537 -2.641 1.00 63.34 H new ATOM 0 HE21 GLN A 19 -5.207 -8.916 -2.040 1.00 64.14 H new ATOM 0 HE22 GLN A 19 -4.979 -9.593 -3.655 1.00 64.14 H new ATOM 327 N SER A 20 -9.020 -4.231 -3.678 1.00 61.44 N ATOM 328 CA SER A 20 -10.364 -3.920 -4.172 1.00 63.33 C ATOM 329 C SER A 20 -10.299 -3.500 -5.645 1.00 41.15 C ATOM 330 O SER A 20 -11.010 -4.053 -6.475 1.00 62.13 O ATOM 331 CB SER A 20 -11.017 -2.807 -3.330 1.00 65.33 C ATOM 332 OG SER A 20 -11.094 -3.175 -1.965 1.00 51.31 O ATOM 0 H SER A 20 -8.717 -3.639 -2.905 1.00 61.44 H new ATOM 0 HA SER A 20 -10.977 -4.817 -4.084 1.00 63.33 H new ATOM 0 HB2 SER A 20 -10.441 -1.887 -3.429 1.00 65.33 H new ATOM 0 HB3 SER A 20 -12.017 -2.599 -3.710 1.00 65.33 H new ATOM 0 HG SER A 20 -10.193 -3.197 -1.581 1.00 51.31 H new ATOM 338 N LEU A 21 -9.372 -2.569 -5.952 1.00 33.11 N ATOM 339 CA LEU A 21 -9.190 -2.015 -7.303 1.00 71.41 C ATOM 340 C LEU A 21 -8.721 -3.105 -8.283 1.00 24.42 C ATOM 341 O LEU A 21 -8.986 -3.014 -9.482 1.00 1.43 O ATOM 342 CB LEU A 21 -8.180 -0.828 -7.289 1.00 42.04 C ATOM 343 CG LEU A 21 -8.525 0.372 -6.351 1.00 0.15 C ATOM 344 CD1 LEU A 21 -7.524 1.535 -6.519 1.00 61.02 C ATOM 345 CD2 LEU A 21 -9.979 0.838 -6.539 1.00 54.24 C ATOM 0 H LEU A 21 -8.727 -2.181 -5.264 1.00 33.11 H new ATOM 0 HA LEU A 21 -10.155 -1.639 -7.641 1.00 71.41 H new ATOM 0 HB2 LEU A 21 -7.203 -1.216 -7.001 1.00 42.04 H new ATOM 0 HB3 LEU A 21 -8.086 -0.449 -8.307 1.00 42.04 H new ATOM 0 HG LEU A 21 -8.432 0.017 -5.325 1.00 0.15 H new ATOM 0 HD11 LEU A 21 -7.798 2.350 -5.850 1.00 61.02 H new ATOM 0 HD12 LEU A 21 -6.519 1.188 -6.276 1.00 61.02 H new ATOM 0 HD13 LEU A 21 -7.547 1.889 -7.550 1.00 61.02 H new ATOM 0 HD21 LEU A 21 -10.182 1.674 -5.870 1.00 54.24 H new ATOM 0 HD22 LEU A 21 -10.129 1.154 -7.571 1.00 54.24 H new ATOM 0 HD23 LEU A 21 -10.657 0.016 -6.309 1.00 54.24 H new ATOM 357 N LEU A 22 -8.035 -4.136 -7.746 1.00 43.52 N ATOM 358 CA LEU A 22 -7.575 -5.292 -8.524 1.00 54.02 C ATOM 359 C LEU A 22 -8.783 -6.115 -8.983 1.00 71.43 C ATOM 360 O LEU A 22 -9.002 -6.273 -10.184 1.00 45.44 O ATOM 361 CB LEU A 22 -6.587 -6.163 -7.698 1.00 14.21 C ATOM 362 CG LEU A 22 -6.021 -7.428 -8.423 1.00 63.32 C ATOM 363 CD1 LEU A 22 -5.329 -7.057 -9.747 1.00 32.34 C ATOM 364 CD2 LEU A 22 -5.077 -8.225 -7.499 1.00 42.32 C ATOM 0 H LEU A 22 -7.787 -4.184 -6.758 1.00 43.52 H new ATOM 0 HA LEU A 22 -7.037 -4.935 -9.402 1.00 54.02 H new ATOM 0 HB2 LEU A 22 -5.748 -5.537 -7.393 1.00 14.21 H new ATOM 0 HB3 LEU A 22 -7.091 -6.485 -6.787 1.00 14.21 H new ATOM 0 HG LEU A 22 -6.866 -8.072 -8.667 1.00 63.32 H new ATOM 0 HD11 LEU A 22 -4.948 -7.960 -10.224 1.00 32.34 H new ATOM 0 HD12 LEU A 22 -6.046 -6.572 -10.409 1.00 32.34 H new ATOM 0 HD13 LEU A 22 -4.502 -6.376 -9.547 1.00 32.34 H new ATOM 0 HD21 LEU A 22 -4.699 -9.098 -8.031 1.00 42.32 H new ATOM 0 HD22 LEU A 22 -4.241 -7.593 -7.200 1.00 42.32 H new ATOM 0 HD23 LEU A 22 -5.623 -8.548 -6.612 1.00 42.32 H new ATOM 376 N GLU A 23 -9.582 -6.580 -7.998 1.00 22.13 N ATOM 377 CA GLU A 23 -10.796 -7.394 -8.228 1.00 54.11 C ATOM 378 C GLU A 23 -11.757 -6.692 -9.212 1.00 75.24 C ATOM 379 O GLU A 23 -12.248 -7.295 -10.181 1.00 71.14 O ATOM 380 CB GLU A 23 -11.513 -7.643 -6.871 1.00 13.05 C ATOM 381 CG GLU A 23 -10.646 -8.364 -5.817 1.00 65.02 C ATOM 382 CD GLU A 23 -11.300 -8.402 -4.423 1.00 35.41 C ATOM 383 OE1 GLU A 23 -11.290 -7.366 -3.725 1.00 11.03 O ATOM 384 OE2 GLU A 23 -11.849 -9.453 -4.029 1.00 14.04 O ATOM 0 H GLU A 23 -9.401 -6.399 -7.011 1.00 22.13 H new ATOM 0 HA GLU A 23 -10.500 -8.346 -8.669 1.00 54.11 H new ATOM 0 HB2 GLU A 23 -11.838 -6.685 -6.464 1.00 13.05 H new ATOM 0 HB3 GLU A 23 -12.411 -8.234 -7.051 1.00 13.05 H new ATOM 0 HG2 GLU A 23 -10.453 -9.384 -6.150 1.00 65.02 H new ATOM 0 HG3 GLU A 23 -9.680 -7.864 -5.746 1.00 65.02 H new ATOM 391 N LEU A 24 -11.960 -5.390 -8.963 1.00 0.04 N ATOM 392 CA LEU A 24 -12.886 -4.548 -9.724 1.00 5.01 C ATOM 393 C LEU A 24 -12.406 -4.350 -11.172 1.00 32.14 C ATOM 394 O LEU A 24 -13.186 -4.544 -12.091 1.00 42.24 O ATOM 395 CB LEU A 24 -13.088 -3.192 -8.999 1.00 21.42 C ATOM 396 CG LEU A 24 -13.774 -3.277 -7.604 1.00 43.53 C ATOM 397 CD1 LEU A 24 -13.817 -1.903 -6.906 1.00 3.22 C ATOM 398 CD2 LEU A 24 -15.176 -3.916 -7.703 1.00 1.21 C ATOM 0 H LEU A 24 -11.478 -4.889 -8.217 1.00 0.04 H new ATOM 0 HA LEU A 24 -13.849 -5.055 -9.778 1.00 5.01 H new ATOM 0 HB2 LEU A 24 -12.115 -2.715 -8.878 1.00 21.42 H new ATOM 0 HB3 LEU A 24 -13.684 -2.542 -9.639 1.00 21.42 H new ATOM 0 HG LEU A 24 -13.165 -3.931 -6.980 1.00 43.53 H new ATOM 0 HD11 LEU A 24 -14.303 -2.003 -5.935 1.00 3.22 H new ATOM 0 HD12 LEU A 24 -12.801 -1.534 -6.767 1.00 3.22 H new ATOM 0 HD13 LEU A 24 -14.378 -1.200 -7.522 1.00 3.22 H new ATOM 0 HD21 LEU A 24 -15.627 -3.960 -6.711 1.00 1.21 H new ATOM 0 HD22 LEU A 24 -15.804 -3.315 -8.361 1.00 1.21 H new ATOM 0 HD23 LEU A 24 -15.088 -4.925 -8.107 1.00 1.21 H new ATOM 410 N ALA A 25 -11.110 -4.022 -11.371 1.00 31.42 N ATOM 411 CA ALA A 25 -10.543 -3.798 -12.724 1.00 23.11 C ATOM 412 C ALA A 25 -10.581 -5.085 -13.573 1.00 63.11 C ATOM 413 O ALA A 25 -10.777 -5.023 -14.793 1.00 4.12 O ATOM 414 CB ALA A 25 -9.113 -3.257 -12.638 1.00 53.33 C ATOM 0 H ALA A 25 -10.436 -3.906 -10.614 1.00 31.42 H new ATOM 0 HA ALA A 25 -11.166 -3.051 -13.217 1.00 23.11 H new ATOM 0 HB1 ALA A 25 -8.722 -3.102 -13.643 1.00 53.33 H new ATOM 0 HB2 ALA A 25 -9.114 -2.310 -12.099 1.00 53.33 H new ATOM 0 HB3 ALA A 25 -8.484 -3.974 -12.110 1.00 53.33 H new ATOM 420 N GLN A 26 -10.398 -6.246 -12.906 1.00 12.42 N ATOM 421 CA GLN A 26 -10.538 -7.579 -13.538 1.00 51.22 C ATOM 422 C GLN A 26 -11.989 -7.805 -14.014 1.00 15.21 C ATOM 423 O GLN A 26 -12.221 -8.393 -15.076 1.00 45.51 O ATOM 424 CB GLN A 26 -10.107 -8.699 -12.550 1.00 33.14 C ATOM 425 CG GLN A 26 -8.614 -8.662 -12.160 1.00 64.50 C ATOM 426 CD GLN A 26 -8.238 -9.648 -11.052 1.00 52.04 C ATOM 427 OE1 GLN A 26 -9.057 -9.984 -10.194 1.00 21.43 O ATOM 428 NE2 GLN A 26 -6.991 -10.095 -11.039 1.00 53.44 N ATOM 0 H GLN A 26 -10.150 -6.287 -11.917 1.00 12.42 H new ATOM 0 HA GLN A 26 -9.882 -7.617 -14.408 1.00 51.22 H new ATOM 0 HB2 GLN A 26 -10.709 -8.620 -11.645 1.00 33.14 H new ATOM 0 HB3 GLN A 26 -10.330 -9.668 -12.998 1.00 33.14 H new ATOM 0 HG2 GLN A 26 -8.012 -8.877 -13.043 1.00 64.50 H new ATOM 0 HG3 GLN A 26 -8.358 -7.653 -11.837 1.00 64.50 H new ATOM 0 HE21 GLN A 26 -6.336 -9.799 -11.763 1.00 53.44 H new ATOM 0 HE22 GLN A 26 -6.686 -10.735 -10.305 1.00 53.44 H new ATOM 437 N ARG A 27 -12.959 -7.332 -13.207 1.00 63.34 N ATOM 438 CA ARG A 27 -14.398 -7.363 -13.564 1.00 15.52 C ATOM 439 C ARG A 27 -14.759 -6.270 -14.605 1.00 1.01 C ATOM 440 O ARG A 27 -15.798 -6.366 -15.264 1.00 51.53 O ATOM 441 CB ARG A 27 -15.263 -7.226 -12.276 1.00 33.35 C ATOM 442 CG ARG A 27 -15.114 -8.423 -11.312 1.00 51.04 C ATOM 443 CD ARG A 27 -15.911 -8.273 -10.004 1.00 54.32 C ATOM 444 NE ARG A 27 -15.786 -9.481 -9.160 1.00 70.21 N ATOM 445 CZ ARG A 27 -16.562 -9.782 -8.102 1.00 35.14 C ATOM 446 NH1 ARG A 27 -17.545 -8.968 -7.711 1.00 24.33 N ATOM 447 NH2 ARG A 27 -16.358 -10.913 -7.444 1.00 63.42 N ATOM 0 H ARG A 27 -12.772 -6.919 -12.293 1.00 63.34 H new ATOM 0 HA ARG A 27 -14.613 -8.323 -14.033 1.00 15.52 H new ATOM 0 HB2 ARG A 27 -14.983 -6.311 -11.754 1.00 33.35 H new ATOM 0 HB3 ARG A 27 -16.311 -7.124 -12.559 1.00 33.35 H new ATOM 0 HG2 ARG A 27 -15.439 -9.330 -11.822 1.00 51.04 H new ATOM 0 HG3 ARG A 27 -14.059 -8.553 -11.070 1.00 51.04 H new ATOM 0 HD2 ARG A 27 -15.552 -7.403 -9.454 1.00 54.32 H new ATOM 0 HD3 ARG A 27 -16.961 -8.094 -10.234 1.00 54.32 H new ATOM 0 HE ARG A 27 -15.048 -10.143 -9.400 1.00 70.21 H new ATOM 0 HH11 ARG A 27 -17.719 -8.099 -8.217 1.00 24.33 H new ATOM 0 HH12 ARG A 27 -18.122 -9.215 -6.907 1.00 24.33 H new ATOM 0 HH21 ARG A 27 -15.617 -11.549 -7.740 1.00 63.42 H new ATOM 0 HH22 ARG A 27 -16.942 -11.148 -6.641 1.00 63.42 H new ATOM 461 N GLY A 28 -13.887 -5.257 -14.766 1.00 3.42 N ATOM 462 CA GLY A 28 -14.108 -4.172 -15.736 1.00 2.44 C ATOM 463 C GLY A 28 -14.825 -2.976 -15.127 1.00 10.30 C ATOM 464 O GLY A 28 -15.412 -2.163 -15.844 1.00 1.44 O ATOM 0 H GLY A 28 -13.021 -5.169 -14.234 1.00 3.42 H new ATOM 0 HA2 GLY A 28 -13.148 -3.849 -16.138 1.00 2.44 H new ATOM 0 HA3 GLY A 28 -14.692 -4.553 -16.574 1.00 2.44 H new ATOM 468 N GLU A 29 -14.760 -2.878 -13.795 1.00 71.41 N ATOM 469 CA GLU A 29 -15.385 -1.807 -13.014 1.00 45.01 C ATOM 470 C GLU A 29 -14.475 -0.572 -12.953 1.00 52.25 C ATOM 471 O GLU A 29 -13.938 -0.220 -11.895 1.00 13.05 O ATOM 472 CB GLU A 29 -15.730 -2.321 -11.592 1.00 74.42 C ATOM 473 CG GLU A 29 -16.694 -3.520 -11.555 1.00 35.52 C ATOM 474 CD GLU A 29 -18.019 -3.229 -12.271 1.00 22.34 C ATOM 475 OE1 GLU A 29 -18.801 -2.393 -11.776 1.00 70.52 O ATOM 476 OE2 GLU A 29 -18.284 -3.827 -13.329 1.00 13.13 O ATOM 0 H GLU A 29 -14.261 -3.555 -13.218 1.00 71.41 H new ATOM 0 HA GLU A 29 -16.310 -1.508 -13.506 1.00 45.01 H new ATOM 0 HB2 GLU A 29 -14.805 -2.601 -11.088 1.00 74.42 H new ATOM 0 HB3 GLU A 29 -16.169 -1.502 -11.022 1.00 74.42 H new ATOM 0 HG2 GLU A 29 -16.215 -4.382 -12.020 1.00 35.52 H new ATOM 0 HG3 GLU A 29 -16.896 -3.788 -10.518 1.00 35.52 H new ATOM 483 N TRP A 30 -14.322 0.079 -14.113 1.00 15.32 N ATOM 484 CA TRP A 30 -13.427 1.238 -14.288 1.00 22.45 C ATOM 485 C TRP A 30 -13.885 2.428 -13.423 1.00 64.11 C ATOM 486 O TRP A 30 -13.061 3.091 -12.784 1.00 54.33 O ATOM 487 CB TRP A 30 -13.363 1.652 -15.786 1.00 44.53 C ATOM 488 CG TRP A 30 -13.167 0.490 -16.750 1.00 53.24 C ATOM 489 CD1 TRP A 30 -13.970 0.157 -17.811 1.00 0.15 C ATOM 490 CD2 TRP A 30 -12.119 -0.507 -16.723 1.00 35.14 C ATOM 491 NE1 TRP A 30 -13.484 -0.958 -18.443 1.00 35.54 N ATOM 492 CE2 TRP A 30 -12.358 -1.386 -17.800 1.00 0.53 C ATOM 493 CE3 TRP A 30 -11.007 -0.745 -15.900 1.00 22.50 C ATOM 494 CZ2 TRP A 30 -11.535 -2.473 -18.072 1.00 74.21 C ATOM 495 CZ3 TRP A 30 -10.191 -1.823 -16.179 1.00 4.12 C ATOM 496 CH2 TRP A 30 -10.460 -2.675 -17.256 1.00 63.04 C ATOM 0 H TRP A 30 -14.818 -0.183 -14.965 1.00 15.32 H new ATOM 0 HA TRP A 30 -12.429 0.946 -13.961 1.00 22.45 H new ATOM 0 HB2 TRP A 30 -14.284 2.173 -16.046 1.00 44.53 H new ATOM 0 HB3 TRP A 30 -12.547 2.362 -15.920 1.00 44.53 H new ATOM 0 HD1 TRP A 30 -14.858 0.696 -18.106 1.00 0.15 H new ATOM 0 HE1 TRP A 30 -13.898 -1.399 -19.264 1.00 35.54 H new ATOM 0 HE3 TRP A 30 -10.794 -0.096 -15.063 1.00 22.50 H new ATOM 0 HZ2 TRP A 30 -11.739 -3.135 -18.901 1.00 74.21 H new ATOM 0 HZ3 TRP A 30 -9.330 -2.012 -15.555 1.00 4.12 H new ATOM 0 HH2 TRP A 30 -9.803 -3.511 -17.446 1.00 63.04 H new ATOM 507 N ASP A 31 -15.215 2.657 -13.399 1.00 35.11 N ATOM 508 CA ASP A 31 -15.838 3.767 -12.647 1.00 24.22 C ATOM 509 C ASP A 31 -15.544 3.645 -11.151 1.00 41.05 C ATOM 510 O ASP A 31 -15.253 4.644 -10.499 1.00 74.22 O ATOM 511 CB ASP A 31 -17.376 3.801 -12.865 1.00 33.12 C ATOM 512 CG ASP A 31 -17.776 3.905 -14.342 1.00 52.02 C ATOM 513 OD1 ASP A 31 -17.903 5.031 -14.861 1.00 71.32 O ATOM 514 OD2 ASP A 31 -17.957 2.858 -14.996 1.00 44.14 O ATOM 0 H ASP A 31 -15.888 2.077 -13.901 1.00 35.11 H new ATOM 0 HA ASP A 31 -15.407 4.694 -13.024 1.00 24.22 H new ATOM 0 HB2 ASP A 31 -17.817 2.900 -12.439 1.00 33.12 H new ATOM 0 HB3 ASP A 31 -17.795 4.648 -12.322 1.00 33.12 H new ATOM 519 N LEU A 32 -15.622 2.404 -10.623 1.00 62.34 N ATOM 520 CA LEU A 32 -15.389 2.128 -9.190 1.00 35.45 C ATOM 521 C LEU A 32 -13.933 2.445 -8.790 1.00 22.12 C ATOM 522 O LEU A 32 -13.700 2.966 -7.698 1.00 40.22 O ATOM 523 CB LEU A 32 -15.769 0.664 -8.822 1.00 32.34 C ATOM 524 CG LEU A 32 -17.272 0.272 -9.006 1.00 31.44 C ATOM 525 CD1 LEU A 32 -17.532 -1.163 -8.524 1.00 45.41 C ATOM 526 CD2 LEU A 32 -18.224 1.265 -8.308 1.00 12.34 C ATOM 0 H LEU A 32 -15.846 1.574 -11.172 1.00 62.34 H new ATOM 0 HA LEU A 32 -16.042 2.788 -8.619 1.00 35.45 H new ATOM 0 HB2 LEU A 32 -15.163 -0.010 -9.428 1.00 32.34 H new ATOM 0 HB3 LEU A 32 -15.495 0.490 -7.781 1.00 32.34 H new ATOM 0 HG LEU A 32 -17.483 0.320 -10.074 1.00 31.44 H new ATOM 0 HD11 LEU A 32 -18.585 -1.409 -8.664 1.00 45.41 H new ATOM 0 HD12 LEU A 32 -16.918 -1.857 -9.099 1.00 45.41 H new ATOM 0 HD13 LEU A 32 -17.278 -1.243 -7.467 1.00 45.41 H new ATOM 0 HD21 LEU A 32 -19.256 0.951 -8.464 1.00 12.34 H new ATOM 0 HD22 LEU A 32 -18.009 1.286 -7.240 1.00 12.34 H new ATOM 0 HD23 LEU A 32 -18.081 2.261 -8.726 1.00 12.34 H new ATOM 538 N LEU A 33 -12.962 2.161 -9.697 1.00 61.13 N ATOM 539 CA LEU A 33 -11.547 2.569 -9.502 1.00 74.12 C ATOM 540 C LEU A 33 -11.440 4.105 -9.430 1.00 51.34 C ATOM 541 O LEU A 33 -10.796 4.650 -8.531 1.00 10.22 O ATOM 542 CB LEU A 33 -10.601 2.016 -10.625 1.00 44.24 C ATOM 543 CG LEU A 33 -10.037 0.573 -10.411 1.00 23.13 C ATOM 544 CD1 LEU A 33 -11.134 -0.496 -10.490 1.00 34.51 C ATOM 545 CD2 LEU A 33 -8.878 0.274 -11.388 1.00 71.53 C ATOM 0 H LEU A 33 -13.133 1.654 -10.565 1.00 61.13 H new ATOM 0 HA LEU A 33 -11.217 2.134 -8.559 1.00 74.12 H new ATOM 0 HB2 LEU A 33 -11.145 2.034 -11.569 1.00 44.24 H new ATOM 0 HB3 LEU A 33 -9.759 2.700 -10.730 1.00 44.24 H new ATOM 0 HG LEU A 33 -9.635 0.533 -9.399 1.00 23.13 H new ATOM 0 HD11 LEU A 33 -10.694 -1.481 -10.335 1.00 34.51 H new ATOM 0 HD12 LEU A 33 -11.882 -0.308 -9.720 1.00 34.51 H new ATOM 0 HD13 LEU A 33 -11.607 -0.460 -11.471 1.00 34.51 H new ATOM 0 HD21 LEU A 33 -8.507 -0.736 -11.214 1.00 71.53 H new ATOM 0 HD22 LEU A 33 -9.236 0.358 -12.414 1.00 71.53 H new ATOM 0 HD23 LEU A 33 -8.072 0.989 -11.226 1.00 71.53 H new ATOM 557 N LEU A 34 -12.106 4.781 -10.380 1.00 12.50 N ATOM 558 CA LEU A 34 -12.073 6.251 -10.508 1.00 11.25 C ATOM 559 C LEU A 34 -12.779 6.957 -9.324 1.00 64.40 C ATOM 560 O LEU A 34 -12.443 8.099 -8.990 1.00 3.14 O ATOM 561 CB LEU A 34 -12.707 6.666 -11.859 1.00 13.01 C ATOM 562 CG LEU A 34 -11.999 6.112 -13.133 1.00 52.14 C ATOM 563 CD1 LEU A 34 -12.765 6.493 -14.418 1.00 24.41 C ATOM 564 CD2 LEU A 34 -10.526 6.565 -13.193 1.00 1.24 C ATOM 0 H LEU A 34 -12.685 4.324 -11.084 1.00 12.50 H new ATOM 0 HA LEU A 34 -11.031 6.571 -10.483 1.00 11.25 H new ATOM 0 HB2 LEU A 34 -13.746 6.335 -11.869 1.00 13.01 H new ATOM 0 HB3 LEU A 34 -12.718 7.754 -11.916 1.00 13.01 H new ATOM 0 HG LEU A 34 -12.005 5.024 -13.067 1.00 52.14 H new ATOM 0 HD11 LEU A 34 -12.243 6.090 -15.286 1.00 24.41 H new ATOM 0 HD12 LEU A 34 -13.773 6.080 -14.377 1.00 24.41 H new ATOM 0 HD13 LEU A 34 -12.821 7.578 -14.500 1.00 24.41 H new ATOM 0 HD21 LEU A 34 -10.058 6.164 -14.092 1.00 1.24 H new ATOM 0 HD22 LEU A 34 -10.481 7.654 -13.216 1.00 1.24 H new ATOM 0 HD23 LEU A 34 -9.996 6.198 -12.314 1.00 1.24 H new ATOM 576 N GLN A 35 -13.752 6.266 -8.700 1.00 72.33 N ATOM 577 CA GLN A 35 -14.472 6.771 -7.510 1.00 3.12 C ATOM 578 C GLN A 35 -13.613 6.609 -6.250 1.00 71.30 C ATOM 579 O GLN A 35 -13.640 7.463 -5.363 1.00 23.34 O ATOM 580 CB GLN A 35 -15.833 6.037 -7.336 1.00 2.32 C ATOM 581 CG GLN A 35 -16.877 6.391 -8.407 1.00 52.13 C ATOM 582 CD GLN A 35 -18.152 5.558 -8.322 1.00 44.22 C ATOM 583 OE1 GLN A 35 -18.182 4.450 -9.035 1.00 52.41 O flip ATOM 584 NE2 GLN A 35 -19.101 5.902 -7.619 1.00 74.13 N flip ATOM 0 H GLN A 35 -14.062 5.343 -9.004 1.00 72.33 H new ATOM 0 HA GLN A 35 -14.671 7.832 -7.659 1.00 3.12 H new ATOM 0 HB2 GLN A 35 -15.659 4.961 -7.355 1.00 2.32 H new ATOM 0 HB3 GLN A 35 -16.240 6.277 -6.354 1.00 2.32 H new ATOM 0 HG2 GLN A 35 -17.136 7.446 -8.314 1.00 52.13 H new ATOM 0 HG3 GLN A 35 -16.432 6.258 -9.393 1.00 52.13 H new ATOM 0 HE21 GLN A 35 -19.048 6.765 -7.078 1.00 74.13 H new ATOM 0 HE22 GLN A 35 -19.940 5.324 -7.577 1.00 74.13 H new ATOM 593 N GLN A 36 -12.854 5.502 -6.179 1.00 11.32 N ATOM 594 CA GLN A 36 -11.936 5.221 -5.049 1.00 70.21 C ATOM 595 C GLN A 36 -10.585 5.944 -5.224 1.00 31.34 C ATOM 596 O GLN A 36 -9.808 6.024 -4.268 1.00 0.54 O ATOM 597 CB GLN A 36 -11.694 3.693 -4.896 1.00 34.52 C ATOM 598 CG GLN A 36 -12.956 2.854 -4.621 1.00 4.23 C ATOM 599 CD GLN A 36 -13.707 3.270 -3.358 1.00 21.20 C ATOM 600 OE1 GLN A 36 -13.429 2.782 -2.262 1.00 64.11 O ATOM 601 NE2 GLN A 36 -14.676 4.159 -3.503 1.00 54.31 N ATOM 0 H GLN A 36 -12.855 4.777 -6.897 1.00 11.32 H new ATOM 0 HA GLN A 36 -12.415 5.598 -4.146 1.00 70.21 H new ATOM 0 HB2 GLN A 36 -11.222 3.323 -5.806 1.00 34.52 H new ATOM 0 HB3 GLN A 36 -10.986 3.533 -4.083 1.00 34.52 H new ATOM 0 HG2 GLN A 36 -13.628 2.934 -5.475 1.00 4.23 H new ATOM 0 HG3 GLN A 36 -12.673 1.805 -4.536 1.00 4.23 H new ATOM 0 HE21 GLN A 36 -14.881 4.544 -4.425 1.00 54.31 H new ATOM 0 HE22 GLN A 36 -15.218 4.459 -2.693 1.00 54.31 H new ATOM 610 N GLU A 37 -10.321 6.428 -6.466 1.00 31.24 N ATOM 611 CA GLU A 37 -9.042 7.054 -6.872 1.00 51.23 C ATOM 612 C GLU A 37 -8.518 8.075 -5.842 1.00 41.12 C ATOM 613 O GLU A 37 -7.429 7.890 -5.315 1.00 64.23 O ATOM 614 CB GLU A 37 -9.200 7.740 -8.253 1.00 13.51 C ATOM 615 CG GLU A 37 -7.883 8.265 -8.862 1.00 71.12 C ATOM 616 CD GLU A 37 -8.105 9.101 -10.133 1.00 1.22 C ATOM 617 OE1 GLU A 37 -8.230 8.521 -11.232 1.00 73.51 O ATOM 618 OE2 GLU A 37 -8.192 10.344 -10.030 1.00 34.44 O ATOM 0 H GLU A 37 -11.004 6.392 -7.223 1.00 31.24 H new ATOM 0 HA GLU A 37 -8.306 6.252 -6.932 1.00 51.23 H new ATOM 0 HB2 GLU A 37 -9.649 7.030 -8.948 1.00 13.51 H new ATOM 0 HB3 GLU A 37 -9.897 8.572 -8.153 1.00 13.51 H new ATOM 0 HG2 GLU A 37 -7.362 8.871 -8.121 1.00 71.12 H new ATOM 0 HG3 GLU A 37 -7.235 7.421 -9.097 1.00 71.12 H new ATOM 625 N VAL A 38 -9.336 9.108 -5.526 1.00 74.55 N ATOM 626 CA VAL A 38 -8.937 10.218 -4.629 1.00 53.35 C ATOM 627 C VAL A 38 -8.517 9.692 -3.230 1.00 31.25 C ATOM 628 O VAL A 38 -7.535 10.169 -2.650 1.00 44.20 O ATOM 629 CB VAL A 38 -10.087 11.289 -4.471 1.00 55.23 C ATOM 630 CG1 VAL A 38 -9.632 12.490 -3.602 1.00 31.01 C ATOM 631 CG2 VAL A 38 -10.595 11.774 -5.851 1.00 23.13 C ATOM 0 H VAL A 38 -10.287 9.195 -5.884 1.00 74.55 H new ATOM 0 HA VAL A 38 -8.079 10.702 -5.096 1.00 53.35 H new ATOM 0 HB VAL A 38 -10.915 10.800 -3.957 1.00 55.23 H new ATOM 0 HG11 VAL A 38 -10.449 13.206 -3.515 1.00 31.01 H new ATOM 0 HG12 VAL A 38 -9.353 12.136 -2.610 1.00 31.01 H new ATOM 0 HG13 VAL A 38 -8.774 12.973 -4.070 1.00 31.01 H new ATOM 0 HG21 VAL A 38 -11.386 12.510 -5.709 1.00 23.13 H new ATOM 0 HG22 VAL A 38 -9.772 12.227 -6.403 1.00 23.13 H new ATOM 0 HG23 VAL A 38 -10.985 10.926 -6.414 1.00 23.13 H new ATOM 641 N SER A 39 -9.260 8.686 -2.726 1.00 44.43 N ATOM 642 CA SER A 39 -8.987 8.060 -1.420 1.00 72.13 C ATOM 643 C SER A 39 -7.681 7.265 -1.448 1.00 21.34 C ATOM 644 O SER A 39 -6.884 7.370 -0.520 1.00 14.05 O ATOM 645 CB SER A 39 -10.155 7.144 -0.989 1.00 3.10 C ATOM 646 OG SER A 39 -11.336 7.894 -0.765 1.00 24.05 O ATOM 0 H SER A 39 -10.063 8.287 -3.212 1.00 44.43 H new ATOM 0 HA SER A 39 -8.886 8.863 -0.690 1.00 72.13 H new ATOM 0 HB2 SER A 39 -10.337 6.395 -1.760 1.00 3.10 H new ATOM 0 HB3 SER A 39 -9.884 6.607 -0.080 1.00 3.10 H new ATOM 0 HG SER A 39 -12.060 7.291 -0.495 1.00 24.05 H new ATOM 652 N TYR A 40 -7.471 6.493 -2.535 1.00 21.20 N ATOM 653 CA TYR A 40 -6.296 5.621 -2.688 1.00 44.43 C ATOM 654 C TYR A 40 -5.020 6.467 -2.766 1.00 71.10 C ATOM 655 O TYR A 40 -4.046 6.192 -2.051 1.00 40.12 O ATOM 656 CB TYR A 40 -6.432 4.721 -3.949 1.00 2.30 C ATOM 657 CG TYR A 40 -5.291 3.701 -4.119 1.00 45.31 C ATOM 658 CD1 TYR A 40 -4.993 2.795 -3.099 1.00 34.11 C ATOM 659 CD2 TYR A 40 -4.515 3.635 -5.288 1.00 22.14 C ATOM 660 CE1 TYR A 40 -3.983 1.865 -3.230 1.00 13.23 C ATOM 661 CE2 TYR A 40 -3.499 2.702 -5.419 1.00 51.34 C ATOM 662 CZ TYR A 40 -3.237 1.824 -4.383 1.00 15.42 C ATOM 663 OH TYR A 40 -2.231 0.886 -4.506 1.00 24.24 O ATOM 0 H TYR A 40 -8.112 6.459 -3.328 1.00 21.20 H new ATOM 0 HA TYR A 40 -6.234 4.970 -1.816 1.00 44.43 H new ATOM 0 HB2 TYR A 40 -7.380 4.185 -3.899 1.00 2.30 H new ATOM 0 HB3 TYR A 40 -6.471 5.357 -4.834 1.00 2.30 H new ATOM 0 HD1 TYR A 40 -5.568 2.823 -2.185 1.00 34.11 H new ATOM 0 HD2 TYR A 40 -4.713 4.322 -6.097 1.00 22.14 H new ATOM 0 HE1 TYR A 40 -3.779 1.171 -2.428 1.00 13.23 H new ATOM 0 HE2 TYR A 40 -2.914 2.661 -6.326 1.00 51.34 H new ATOM 0 HH TYR A 40 -1.644 1.131 -5.252 1.00 24.24 H new ATOM 673 N LEU A 41 -5.077 7.516 -3.616 1.00 20.25 N ATOM 674 CA LEU A 41 -3.977 8.459 -3.821 1.00 73.24 C ATOM 675 C LEU A 41 -3.623 9.154 -2.495 1.00 63.40 C ATOM 676 O LEU A 41 -2.468 9.138 -2.085 1.00 14.21 O ATOM 677 CB LEU A 41 -4.314 9.519 -4.915 1.00 5.01 C ATOM 678 CG LEU A 41 -4.650 8.984 -6.349 1.00 45.42 C ATOM 679 CD1 LEU A 41 -4.823 10.144 -7.355 1.00 2.21 C ATOM 680 CD2 LEU A 41 -3.610 7.959 -6.853 1.00 53.54 C ATOM 0 H LEU A 41 -5.900 7.726 -4.180 1.00 20.25 H new ATOM 0 HA LEU A 41 -3.116 7.891 -4.172 1.00 73.24 H new ATOM 0 HB2 LEU A 41 -5.163 10.107 -4.566 1.00 5.01 H new ATOM 0 HB3 LEU A 41 -3.467 10.200 -4.998 1.00 5.01 H new ATOM 0 HG LEU A 41 -5.602 8.458 -6.273 1.00 45.42 H new ATOM 0 HD11 LEU A 41 -5.055 9.740 -8.340 1.00 2.21 H new ATOM 0 HD12 LEU A 41 -5.636 10.791 -7.027 1.00 2.21 H new ATOM 0 HD13 LEU A 41 -3.899 10.720 -7.408 1.00 2.21 H new ATOM 0 HD21 LEU A 41 -3.888 7.619 -7.851 1.00 53.54 H new ATOM 0 HD22 LEU A 41 -2.626 8.427 -6.890 1.00 53.54 H new ATOM 0 HD23 LEU A 41 -3.581 7.107 -6.174 1.00 53.54 H new ATOM 692 N GLN A 42 -4.653 9.701 -1.811 1.00 22.42 N ATOM 693 CA GLN A 42 -4.480 10.432 -0.540 1.00 53.53 C ATOM 694 C GLN A 42 -3.857 9.535 0.547 1.00 41.54 C ATOM 695 O GLN A 42 -2.971 9.976 1.285 1.00 32.53 O ATOM 696 CB GLN A 42 -5.835 11.006 -0.039 1.00 43.22 C ATOM 697 CG GLN A 42 -5.726 11.858 1.249 1.00 14.01 C ATOM 698 CD GLN A 42 -7.052 12.473 1.707 1.00 33.22 C ATOM 699 OE1 GLN A 42 -7.929 12.779 0.898 1.00 2.24 O ATOM 700 NE2 GLN A 42 -7.206 12.666 3.010 1.00 72.34 N ATOM 0 H GLN A 42 -5.622 9.647 -2.124 1.00 22.42 H new ATOM 0 HA GLN A 42 -3.797 11.259 -0.735 1.00 53.53 H new ATOM 0 HB2 GLN A 42 -6.272 11.616 -0.829 1.00 43.22 H new ATOM 0 HB3 GLN A 42 -6.522 10.179 0.143 1.00 43.22 H new ATOM 0 HG2 GLN A 42 -5.331 11.235 2.051 1.00 14.01 H new ATOM 0 HG3 GLN A 42 -5.005 12.658 1.082 1.00 14.01 H new ATOM 0 HE21 GLN A 42 -6.462 12.402 3.656 1.00 72.34 H new ATOM 0 HE22 GLN A 42 -8.069 13.078 3.366 1.00 72.34 H new ATOM 709 N SER A 43 -4.322 8.273 0.614 1.00 61.14 N ATOM 710 CA SER A 43 -3.850 7.293 1.604 1.00 45.22 C ATOM 711 C SER A 43 -2.346 7.039 1.439 1.00 75.31 C ATOM 712 O SER A 43 -1.557 7.352 2.342 1.00 3.25 O ATOM 713 CB SER A 43 -4.643 5.975 1.470 1.00 63.34 C ATOM 714 OG SER A 43 -6.022 6.184 1.735 1.00 5.40 O ATOM 0 H SER A 43 -5.035 7.907 -0.017 1.00 61.14 H new ATOM 0 HA SER A 43 -4.018 7.699 2.602 1.00 45.22 H new ATOM 0 HB2 SER A 43 -4.519 5.572 0.465 1.00 63.34 H new ATOM 0 HB3 SER A 43 -4.244 5.234 2.162 1.00 63.34 H new ATOM 0 HG SER A 43 -6.473 6.471 0.914 1.00 5.40 H new ATOM 720 N ILE A 44 -1.961 6.548 0.242 1.00 2.12 N ATOM 721 CA ILE A 44 -0.569 6.158 -0.052 1.00 72.14 C ATOM 722 C ILE A 44 0.386 7.377 0.024 1.00 41.22 C ATOM 723 O ILE A 44 1.545 7.225 0.411 1.00 50.02 O ATOM 724 CB ILE A 44 -0.463 5.398 -1.434 1.00 72.42 C ATOM 725 CG1 ILE A 44 0.973 4.826 -1.682 1.00 52.33 C ATOM 726 CG2 ILE A 44 -0.923 6.286 -2.597 1.00 63.41 C ATOM 727 CD1 ILE A 44 1.115 3.992 -2.952 1.00 23.41 C ATOM 0 H ILE A 44 -2.601 6.412 -0.540 1.00 2.12 H new ATOM 0 HA ILE A 44 -0.248 5.457 0.718 1.00 72.14 H new ATOM 0 HB ILE A 44 -1.139 4.545 -1.382 1.00 72.42 H new ATOM 0 HG12 ILE A 44 1.677 5.656 -1.728 1.00 52.33 H new ATOM 0 HG13 ILE A 44 1.258 4.213 -0.827 1.00 52.33 H new ATOM 0 HG21 ILE A 44 -0.838 5.733 -3.533 1.00 63.41 H new ATOM 0 HG22 ILE A 44 -1.961 6.579 -2.442 1.00 63.41 H new ATOM 0 HG23 ILE A 44 -0.297 7.177 -2.644 1.00 63.41 H new ATOM 0 HD11 ILE A 44 2.142 3.638 -3.042 1.00 23.41 H new ATOM 0 HD12 ILE A 44 0.439 3.138 -2.904 1.00 23.41 H new ATOM 0 HD13 ILE A 44 0.865 4.604 -3.819 1.00 23.41 H new ATOM 739 N GLU A 45 -0.136 8.590 -0.296 1.00 20.31 N ATOM 740 CA GLU A 45 0.588 9.866 -0.093 1.00 51.14 C ATOM 741 C GLU A 45 0.945 10.061 1.389 1.00 33.12 C ATOM 742 O GLU A 45 2.123 10.232 1.736 1.00 3.22 O ATOM 743 CB GLU A 45 -0.255 11.085 -0.594 1.00 10.14 C ATOM 744 CG GLU A 45 -0.247 11.315 -2.117 1.00 65.41 C ATOM 745 CD GLU A 45 1.127 11.737 -2.663 1.00 45.41 C ATOM 746 OE1 GLU A 45 1.379 12.953 -2.817 1.00 21.34 O ATOM 747 OE2 GLU A 45 1.969 10.858 -2.919 1.00 65.30 O ATOM 0 H GLU A 45 -1.065 8.707 -0.699 1.00 20.31 H new ATOM 0 HA GLU A 45 1.506 9.815 -0.678 1.00 51.14 H new ATOM 0 HB2 GLU A 45 -1.287 10.949 -0.270 1.00 10.14 H new ATOM 0 HB3 GLU A 45 0.116 11.986 -0.106 1.00 10.14 H new ATOM 0 HG2 GLU A 45 -0.563 10.399 -2.617 1.00 65.41 H new ATOM 0 HG3 GLU A 45 -0.980 12.083 -2.365 1.00 65.41 H new ATOM 754 N THR A 46 -0.088 9.997 2.251 1.00 35.24 N ATOM 755 CA THR A 46 0.046 10.278 3.686 1.00 3.54 C ATOM 756 C THR A 46 0.911 9.208 4.400 1.00 0.14 C ATOM 757 O THR A 46 1.503 9.491 5.444 1.00 71.11 O ATOM 758 CB THR A 46 -1.355 10.414 4.370 1.00 33.01 C ATOM 759 OG1 THR A 46 -2.174 11.316 3.609 1.00 14.11 O ATOM 760 CG2 THR A 46 -1.263 10.949 5.815 1.00 41.22 C ATOM 0 H THR A 46 -1.036 9.749 1.969 1.00 35.24 H new ATOM 0 HA THR A 46 0.561 11.234 3.782 1.00 3.54 H new ATOM 0 HB THR A 46 -1.788 9.414 4.405 1.00 33.01 H new ATOM 0 HG1 THR A 46 -2.482 10.869 2.793 1.00 14.11 H new ATOM 0 HG21 THR A 46 -2.264 11.023 6.240 1.00 41.22 H new ATOM 0 HG22 THR A 46 -0.662 10.268 6.418 1.00 41.22 H new ATOM 0 HG23 THR A 46 -0.798 11.935 5.809 1.00 41.22 H new ATOM 768 N VAL A 47 0.995 7.992 3.821 1.00 55.52 N ATOM 769 CA VAL A 47 1.847 6.908 4.361 1.00 72.33 C ATOM 770 C VAL A 47 3.315 7.060 3.884 1.00 64.33 C ATOM 771 O VAL A 47 4.248 6.774 4.647 1.00 72.22 O ATOM 772 CB VAL A 47 1.290 5.488 3.982 1.00 34.03 C ATOM 773 CG1 VAL A 47 2.111 4.353 4.645 1.00 60.33 C ATOM 774 CG2 VAL A 47 -0.202 5.368 4.356 1.00 44.13 C ATOM 0 H VAL A 47 0.482 7.734 2.978 1.00 55.52 H new ATOM 0 HA VAL A 47 1.827 6.995 5.447 1.00 72.33 H new ATOM 0 HB VAL A 47 1.388 5.377 2.902 1.00 34.03 H new ATOM 0 HG11 VAL A 47 1.694 3.387 4.358 1.00 60.33 H new ATOM 0 HG12 VAL A 47 3.148 4.413 4.315 1.00 60.33 H new ATOM 0 HG13 VAL A 47 2.069 4.459 5.729 1.00 60.33 H new ATOM 0 HG21 VAL A 47 -0.567 4.377 4.085 1.00 44.13 H new ATOM 0 HG22 VAL A 47 -0.321 5.517 5.429 1.00 44.13 H new ATOM 0 HG23 VAL A 47 -0.774 6.125 3.819 1.00 44.13 H new ATOM 784 N MET A 48 3.514 7.529 2.631 1.00 54.52 N ATOM 785 CA MET A 48 4.875 7.733 2.059 1.00 2.13 C ATOM 786 C MET A 48 5.599 8.915 2.733 1.00 52.52 C ATOM 787 O MET A 48 6.820 8.874 2.912 1.00 32.22 O ATOM 788 CB MET A 48 4.831 7.927 0.510 1.00 25.05 C ATOM 789 CG MET A 48 4.602 6.634 -0.285 1.00 1.01 C ATOM 790 SD MET A 48 4.740 6.861 -2.076 1.00 51.02 S ATOM 791 CE MET A 48 3.297 7.860 -2.450 1.00 15.04 C ATOM 0 H MET A 48 2.756 7.774 1.995 1.00 54.52 H new ATOM 0 HA MET A 48 5.443 6.825 2.264 1.00 2.13 H new ATOM 0 HB2 MET A 48 4.038 8.634 0.267 1.00 25.05 H new ATOM 0 HB3 MET A 48 5.769 8.377 0.186 1.00 25.05 H new ATOM 0 HG2 MET A 48 5.326 5.885 0.036 1.00 1.01 H new ATOM 0 HG3 MET A 48 3.612 6.242 -0.051 1.00 1.01 H new ATOM 0 HE1 MET A 48 3.227 8.009 -3.527 1.00 15.04 H new ATOM 0 HE2 MET A 48 2.401 7.352 -2.095 1.00 15.04 H new ATOM 0 HE3 MET A 48 3.386 8.827 -1.955 1.00 15.04 H new ATOM 801 N GLU A 49 4.839 9.963 3.105 1.00 42.44 N ATOM 802 CA GLU A 49 5.392 11.119 3.842 1.00 74.22 C ATOM 803 C GLU A 49 5.578 10.768 5.336 1.00 61.33 C ATOM 804 O GLU A 49 6.385 11.398 6.027 1.00 62.11 O ATOM 805 CB GLU A 49 4.476 12.369 3.704 1.00 12.43 C ATOM 806 CG GLU A 49 3.083 12.207 4.341 1.00 61.44 C ATOM 807 CD GLU A 49 2.238 13.490 4.352 1.00 63.52 C ATOM 808 OE1 GLU A 49 2.143 14.147 5.412 1.00 23.44 O ATOM 809 OE2 GLU A 49 1.664 13.847 3.305 1.00 33.31 O ATOM 0 H GLU A 49 3.841 10.034 2.908 1.00 42.44 H new ATOM 0 HA GLU A 49 6.362 11.356 3.405 1.00 74.22 H new ATOM 0 HB2 GLU A 49 4.975 13.223 4.162 1.00 12.43 H new ATOM 0 HB3 GLU A 49 4.354 12.601 2.646 1.00 12.43 H new ATOM 0 HG2 GLU A 49 2.538 11.432 3.802 1.00 61.44 H new ATOM 0 HG3 GLU A 49 3.204 11.857 5.366 1.00 61.44 H new ATOM 816 N LYS A 50 4.823 9.753 5.811 1.00 14.14 N ATOM 817 CA LYS A 50 4.779 9.365 7.231 1.00 65.51 C ATOM 818 C LYS A 50 6.106 8.741 7.674 1.00 44.05 C ATOM 819 O LYS A 50 6.669 7.891 6.970 1.00 31.21 O ATOM 820 CB LYS A 50 3.602 8.374 7.488 1.00 72.42 C ATOM 821 CG LYS A 50 3.381 7.954 8.962 1.00 74.04 C ATOM 822 CD LYS A 50 3.167 9.159 9.908 1.00 24.11 C ATOM 823 CE LYS A 50 1.959 10.038 9.524 1.00 15.05 C ATOM 824 NZ LYS A 50 1.918 11.289 10.329 1.00 60.23 N ATOM 0 H LYS A 50 4.226 9.180 5.215 1.00 14.14 H new ATOM 0 HA LYS A 50 4.615 10.266 7.821 1.00 65.51 H new ATOM 0 HB2 LYS A 50 2.683 8.828 7.118 1.00 72.42 H new ATOM 0 HB3 LYS A 50 3.774 7.475 6.896 1.00 72.42 H new ATOM 0 HG2 LYS A 50 2.515 7.295 9.020 1.00 74.04 H new ATOM 0 HG3 LYS A 50 4.242 7.379 9.303 1.00 74.04 H new ATOM 0 HD2 LYS A 50 3.030 8.792 10.925 1.00 24.11 H new ATOM 0 HD3 LYS A 50 4.067 9.774 9.909 1.00 24.11 H new ATOM 0 HE2 LYS A 50 2.011 10.287 8.464 1.00 15.05 H new ATOM 0 HE3 LYS A 50 1.037 9.477 9.674 1.00 15.05 H new ATOM 0 HZ1 LYS A 50 1.094 11.857 10.046 1.00 60.23 H new ATOM 0 HZ2 LYS A 50 1.844 11.050 11.338 1.00 60.23 H new ATOM 0 HZ3 LYS A 50 2.788 11.835 10.166 1.00 60.23 H new ATOM 838 N GLN A 51 6.599 9.188 8.836 1.00 42.03 N ATOM 839 CA GLN A 51 7.792 8.625 9.461 1.00 1.44 C ATOM 840 C GLN A 51 7.391 7.382 10.267 1.00 43.20 C ATOM 841 O GLN A 51 6.445 7.429 11.066 1.00 13.14 O ATOM 842 CB GLN A 51 8.484 9.666 10.372 1.00 44.11 C ATOM 843 CG GLN A 51 9.881 9.238 10.878 1.00 71.14 C ATOM 844 CD GLN A 51 10.610 10.291 11.724 1.00 35.33 C ATOM 845 OE1 GLN A 51 10.367 11.572 11.474 1.00 22.34 O flip ATOM 846 NE2 GLN A 51 11.414 9.953 12.590 1.00 22.12 N flip ATOM 0 H GLN A 51 6.178 9.951 9.366 1.00 42.03 H new ATOM 0 HA GLN A 51 8.505 8.344 8.686 1.00 1.44 H new ATOM 0 HB2 GLN A 51 8.580 10.604 9.825 1.00 44.11 H new ATOM 0 HB3 GLN A 51 7.843 9.863 11.232 1.00 44.11 H new ATOM 0 HG2 GLN A 51 9.775 8.328 11.468 1.00 71.14 H new ATOM 0 HG3 GLN A 51 10.503 8.989 10.018 1.00 71.14 H new ATOM 0 HE21 GLN A 51 11.587 8.963 12.767 1.00 22.12 H new ATOM 0 HE22 GLN A 51 11.908 10.662 13.132 1.00 22.12 H new ATOM 855 N THR A 52 8.095 6.279 10.015 1.00 23.35 N ATOM 856 CA THR A 52 7.883 5.000 10.691 1.00 1.45 C ATOM 857 C THR A 52 8.349 5.078 12.168 1.00 1.43 C ATOM 858 O THR A 52 9.425 5.635 12.431 1.00 62.45 O ATOM 859 CB THR A 52 8.679 3.882 9.950 1.00 44.50 C ATOM 860 OG1 THR A 52 8.413 3.968 8.541 1.00 32.32 O ATOM 861 CG2 THR A 52 8.319 2.477 10.449 1.00 41.24 C ATOM 0 H THR A 52 8.843 6.249 9.322 1.00 23.35 H new ATOM 0 HA THR A 52 6.818 4.768 10.674 1.00 1.45 H new ATOM 0 HB THR A 52 9.738 4.041 10.155 1.00 44.50 H new ATOM 0 HG1 THR A 52 7.466 3.779 8.375 1.00 32.32 H new ATOM 0 HG21 THR A 52 8.901 1.736 9.901 1.00 41.24 H new ATOM 0 HG22 THR A 52 8.544 2.400 11.513 1.00 41.24 H new ATOM 0 HG23 THR A 52 7.256 2.295 10.288 1.00 41.24 H new ATOM 869 N PRO A 53 7.541 4.567 13.160 1.00 23.32 N ATOM 870 CA PRO A 53 8.002 4.452 14.565 1.00 74.55 C ATOM 871 C PRO A 53 9.153 3.415 14.717 1.00 0.32 C ATOM 872 O PRO A 53 9.235 2.465 13.930 1.00 34.41 O ATOM 873 CB PRO A 53 6.720 4.004 15.336 1.00 43.33 C ATOM 874 CG PRO A 53 5.578 4.317 14.407 1.00 21.33 C ATOM 875 CD PRO A 53 6.129 4.128 13.013 1.00 21.32 C ATOM 0 HA PRO A 53 8.420 5.385 14.944 1.00 74.55 H new ATOM 0 HB2 PRO A 53 6.754 2.941 15.575 1.00 43.33 H new ATOM 0 HB3 PRO A 53 6.619 4.540 16.280 1.00 43.33 H new ATOM 0 HG2 PRO A 53 4.732 3.654 14.588 1.00 21.33 H new ATOM 0 HG3 PRO A 53 5.221 5.337 14.553 1.00 21.33 H new ATOM 0 HD2 PRO A 53 6.059 3.090 12.687 1.00 21.32 H new ATOM 0 HD3 PRO A 53 5.592 4.730 12.280 1.00 21.32 H new ATOM 883 N PRO A 54 10.049 3.582 15.743 1.00 21.52 N ATOM 884 CA PRO A 54 11.097 2.583 16.072 1.00 3.31 C ATOM 885 C PRO A 54 10.488 1.277 16.613 1.00 32.23 C ATOM 886 O PRO A 54 10.885 0.180 16.203 1.00 3.23 O ATOM 887 CB PRO A 54 11.979 3.296 17.141 1.00 23.41 C ATOM 888 CG PRO A 54 11.608 4.750 17.047 1.00 64.11 C ATOM 889 CD PRO A 54 10.155 4.767 16.634 1.00 4.11 C ATOM 0 HA PRO A 54 11.672 2.281 15.197 1.00 3.31 H new ATOM 0 HB2 PRO A 54 11.784 2.903 18.139 1.00 23.41 H new ATOM 0 HB3 PRO A 54 13.040 3.146 16.941 1.00 23.41 H new ATOM 0 HG2 PRO A 54 11.751 5.255 18.003 1.00 64.11 H new ATOM 0 HG3 PRO A 54 12.230 5.268 16.317 1.00 64.11 H new ATOM 0 HD2 PRO A 54 9.490 4.687 17.494 1.00 4.11 H new ATOM 0 HD3 PRO A 54 9.894 5.688 16.114 1.00 4.11 H new ATOM 897 N GLY A 55 9.539 1.433 17.562 1.00 61.01 N ATOM 898 CA GLY A 55 8.864 0.313 18.218 1.00 4.32 C ATOM 899 C GLY A 55 7.979 -0.504 17.272 1.00 3.51 C ATOM 900 O GLY A 55 6.755 -0.313 17.217 1.00 15.31 O ATOM 0 H GLY A 55 9.225 2.347 17.889 1.00 61.01 H new ATOM 0 HA2 GLY A 55 9.613 -0.344 18.660 1.00 4.32 H new ATOM 0 HA3 GLY A 55 8.253 0.696 19.035 1.00 4.32 H new ATOM 904 N ILE A 56 8.630 -1.405 16.528 1.00 71.01 N ATOM 905 CA ILE A 56 8.009 -2.333 15.573 1.00 51.24 C ATOM 906 C ILE A 56 8.685 -3.704 15.746 1.00 53.35 C ATOM 907 O ILE A 56 9.899 -3.833 15.556 1.00 75.12 O ATOM 908 CB ILE A 56 8.119 -1.795 14.073 1.00 5.32 C ATOM 909 CG1 ILE A 56 7.020 -0.703 13.813 1.00 43.33 C ATOM 910 CG2 ILE A 56 8.075 -2.927 13.006 1.00 31.12 C ATOM 911 CD1 ILE A 56 6.866 -0.237 12.374 1.00 20.21 C ATOM 0 H ILE A 56 9.643 -1.513 16.576 1.00 71.01 H new ATOM 0 HA ILE A 56 6.942 -2.422 15.776 1.00 51.24 H new ATOM 0 HB ILE A 56 9.103 -1.339 13.964 1.00 5.32 H new ATOM 0 HG12 ILE A 56 6.061 -1.095 14.151 1.00 43.33 H new ATOM 0 HG13 ILE A 56 7.246 0.165 14.432 1.00 43.33 H new ATOM 0 HG21 ILE A 56 8.154 -2.491 12.010 1.00 31.12 H new ATOM 0 HG22 ILE A 56 8.906 -3.613 13.169 1.00 31.12 H new ATOM 0 HG23 ILE A 56 7.134 -3.470 13.090 1.00 31.12 H new ATOM 0 HD11 ILE A 56 6.080 0.516 12.317 1.00 20.21 H new ATOM 0 HD12 ILE A 56 7.806 0.194 12.028 1.00 20.21 H new ATOM 0 HD13 ILE A 56 6.602 -1.086 11.743 1.00 20.21 H new ATOM 923 N THR A 57 7.891 -4.711 16.145 1.00 5.11 N ATOM 924 CA THR A 57 8.364 -6.086 16.378 1.00 24.25 C ATOM 925 C THR A 57 8.545 -6.826 15.043 1.00 71.45 C ATOM 926 O THR A 57 8.314 -6.251 13.970 1.00 11.12 O ATOM 927 CB THR A 57 7.346 -6.868 17.275 1.00 11.13 C ATOM 928 OG1 THR A 57 6.110 -7.047 16.565 1.00 21.35 O ATOM 929 CG2 THR A 57 7.070 -6.136 18.605 1.00 24.31 C ATOM 0 H THR A 57 6.893 -4.592 16.317 1.00 5.11 H new ATOM 0 HA THR A 57 9.325 -6.033 16.889 1.00 24.25 H new ATOM 0 HB THR A 57 7.790 -7.836 17.509 1.00 11.13 H new ATOM 0 HG1 THR A 57 5.477 -7.538 17.129 1.00 21.35 H new ATOM 0 HG21 THR A 57 6.359 -6.712 19.197 1.00 24.31 H new ATOM 0 HG22 THR A 57 8.001 -6.028 19.161 1.00 24.31 H new ATOM 0 HG23 THR A 57 6.654 -5.150 18.398 1.00 24.31 H new ATOM 937 N ARG A 58 8.941 -8.110 15.123 1.00 41.20 N ATOM 938 CA ARG A 58 9.052 -8.980 13.947 1.00 14.25 C ATOM 939 C ARG A 58 7.659 -9.211 13.328 1.00 71.00 C ATOM 940 O ARG A 58 7.513 -9.084 12.118 1.00 64.43 O ATOM 941 CB ARG A 58 9.737 -10.333 14.306 1.00 71.44 C ATOM 942 CG ARG A 58 9.820 -11.351 13.137 1.00 53.12 C ATOM 943 CD ARG A 58 10.579 -10.808 11.912 1.00 31.12 C ATOM 944 NE ARG A 58 10.434 -11.696 10.752 1.00 53.50 N ATOM 945 CZ ARG A 58 10.825 -11.410 9.503 1.00 1.25 C ATOM 946 NH1 ARG A 58 11.397 -10.248 9.201 1.00 30.21 N ATOM 947 NH2 ARG A 58 10.625 -12.301 8.546 1.00 23.22 N ATOM 0 H ARG A 58 9.190 -8.567 16.000 1.00 41.20 H new ATOM 0 HA ARG A 58 9.683 -8.483 13.210 1.00 14.25 H new ATOM 0 HB2 ARG A 58 10.746 -10.129 14.664 1.00 71.44 H new ATOM 0 HB3 ARG A 58 9.192 -10.792 15.131 1.00 71.44 H new ATOM 0 HG2 ARG A 58 10.312 -12.258 13.488 1.00 53.12 H new ATOM 0 HG3 ARG A 58 8.811 -11.632 12.836 1.00 53.12 H new ATOM 0 HD2 ARG A 58 10.204 -9.816 11.661 1.00 31.12 H new ATOM 0 HD3 ARG A 58 11.635 -10.697 12.157 1.00 31.12 H new ATOM 0 HE ARG A 58 10.000 -12.605 10.910 1.00 53.50 H new ATOM 0 HH11 ARG A 58 11.547 -9.549 9.929 1.00 30.21 H new ATOM 0 HH12 ARG A 58 11.685 -10.056 8.242 1.00 30.21 H new ATOM 0 HH21 ARG A 58 10.178 -13.192 8.764 1.00 23.22 H new ATOM 0 HH22 ARG A 58 10.917 -12.097 7.590 1.00 23.22 H new ATOM 961 N SER A 59 6.642 -9.501 14.179 1.00 71.52 N ATOM 962 CA SER A 59 5.248 -9.742 13.729 1.00 65.24 C ATOM 963 C SER A 59 4.692 -8.521 12.963 1.00 71.12 C ATOM 964 O SER A 59 4.035 -8.657 11.918 1.00 71.32 O ATOM 965 CB SER A 59 4.340 -10.055 14.943 1.00 10.55 C ATOM 966 OG SER A 59 4.818 -11.166 15.682 1.00 13.11 O ATOM 0 H SER A 59 6.764 -9.574 15.189 1.00 71.52 H new ATOM 0 HA SER A 59 5.256 -10.598 13.054 1.00 65.24 H new ATOM 0 HB2 SER A 59 4.287 -9.181 15.593 1.00 10.55 H new ATOM 0 HB3 SER A 59 3.326 -10.257 14.597 1.00 10.55 H new ATOM 0 HG SER A 59 4.222 -11.334 16.442 1.00 13.11 H new ATOM 972 N ILE A 60 4.985 -7.324 13.507 1.00 20.42 N ATOM 973 CA ILE A 60 4.579 -6.047 12.908 1.00 34.40 C ATOM 974 C ILE A 60 5.313 -5.832 11.573 1.00 54.22 C ATOM 975 O ILE A 60 4.703 -5.413 10.594 1.00 12.14 O ATOM 976 CB ILE A 60 4.838 -4.847 13.889 1.00 62.04 C ATOM 977 CG1 ILE A 60 4.025 -5.036 15.209 1.00 51.31 C ATOM 978 CG2 ILE A 60 4.504 -3.491 13.222 1.00 4.42 C ATOM 979 CD1 ILE A 60 4.306 -4.001 16.287 1.00 24.04 C ATOM 0 H ILE A 60 5.511 -7.220 14.375 1.00 20.42 H new ATOM 0 HA ILE A 60 3.507 -6.086 12.716 1.00 34.40 H new ATOM 0 HB ILE A 60 5.900 -4.837 14.136 1.00 62.04 H new ATOM 0 HG12 ILE A 60 2.962 -5.012 14.970 1.00 51.31 H new ATOM 0 HG13 ILE A 60 4.239 -6.026 15.612 1.00 51.31 H new ATOM 0 HG21 ILE A 60 4.694 -2.682 13.927 1.00 4.42 H new ATOM 0 HG22 ILE A 60 5.128 -3.356 12.339 1.00 4.42 H new ATOM 0 HG23 ILE A 60 3.454 -3.478 12.930 1.00 4.42 H new ATOM 0 HD11 ILE A 60 3.696 -4.215 17.164 1.00 24.04 H new ATOM 0 HD12 ILE A 60 5.360 -4.038 16.561 1.00 24.04 H new ATOM 0 HD13 ILE A 60 4.064 -3.008 15.910 1.00 24.04 H new ATOM 991 N GLN A 61 6.616 -6.176 11.545 1.00 44.10 N ATOM 992 CA GLN A 61 7.453 -6.089 10.333 1.00 73.44 C ATOM 993 C GLN A 61 6.905 -7.025 9.230 1.00 61.02 C ATOM 994 O GLN A 61 6.927 -6.669 8.057 1.00 42.13 O ATOM 995 CB GLN A 61 8.928 -6.451 10.666 1.00 1.52 C ATOM 996 CG GLN A 61 9.911 -6.321 9.482 1.00 70.44 C ATOM 997 CD GLN A 61 11.327 -6.807 9.800 1.00 1.22 C ATOM 998 OE1 GLN A 61 11.526 -7.708 10.616 1.00 22.11 O ATOM 999 NE2 GLN A 61 12.320 -6.236 9.138 1.00 14.05 N ATOM 0 H GLN A 61 7.117 -6.522 12.363 1.00 44.10 H new ATOM 0 HA GLN A 61 7.422 -5.064 9.964 1.00 73.44 H new ATOM 0 HB2 GLN A 61 9.271 -5.808 11.477 1.00 1.52 H new ATOM 0 HB3 GLN A 61 8.961 -7.476 11.036 1.00 1.52 H new ATOM 0 HG2 GLN A 61 9.523 -6.888 8.636 1.00 70.44 H new ATOM 0 HG3 GLN A 61 9.956 -5.277 9.172 1.00 70.44 H new ATOM 0 HE21 GLN A 61 12.125 -5.492 8.468 1.00 14.05 H new ATOM 0 HE22 GLN A 61 13.281 -6.540 9.298 1.00 14.05 H new ATOM 1008 N ASP A 62 6.382 -8.204 9.643 1.00 41.13 N ATOM 1009 CA ASP A 62 5.788 -9.197 8.720 1.00 61.50 C ATOM 1010 C ASP A 62 4.510 -8.641 8.070 1.00 65.11 C ATOM 1011 O ASP A 62 4.319 -8.773 6.856 1.00 1.23 O ATOM 1012 CB ASP A 62 5.444 -10.531 9.448 1.00 43.11 C ATOM 1013 CG ASP A 62 6.665 -11.322 9.946 1.00 44.53 C ATOM 1014 OD1 ASP A 62 6.729 -11.666 11.148 1.00 54.35 O ATOM 1015 OD2 ASP A 62 7.546 -11.645 9.120 1.00 65.41 O ATOM 0 H ASP A 62 6.361 -8.491 10.621 1.00 41.13 H new ATOM 0 HA ASP A 62 6.535 -9.399 7.953 1.00 61.50 H new ATOM 0 HB2 ASP A 62 4.799 -10.310 10.299 1.00 43.11 H new ATOM 0 HB3 ASP A 62 4.871 -11.163 8.769 1.00 43.11 H new ATOM 1020 N MET A 63 3.631 -8.041 8.904 1.00 12.52 N ATOM 1021 CA MET A 63 2.343 -7.473 8.439 1.00 4.14 C ATOM 1022 C MET A 63 2.570 -6.279 7.504 1.00 15.03 C ATOM 1023 O MET A 63 2.026 -6.253 6.401 1.00 20.03 O ATOM 1024 CB MET A 63 1.439 -7.051 9.632 1.00 41.02 C ATOM 1025 CG MET A 63 0.939 -8.213 10.497 1.00 41.10 C ATOM 1026 SD MET A 63 -0.193 -7.678 11.799 1.00 43.41 S ATOM 1027 CE MET A 63 0.839 -6.549 12.729 1.00 21.13 C ATOM 0 H MET A 63 3.790 -7.937 9.906 1.00 12.52 H new ATOM 0 HA MET A 63 1.830 -8.259 7.884 1.00 4.14 H new ATOM 0 HB2 MET A 63 1.994 -6.358 10.264 1.00 41.02 H new ATOM 0 HB3 MET A 63 0.578 -6.508 9.243 1.00 41.02 H new ATOM 0 HG2 MET A 63 0.437 -8.943 9.862 1.00 41.10 H new ATOM 0 HG3 MET A 63 1.793 -8.718 10.949 1.00 41.10 H new ATOM 0 HE1 MET A 63 0.271 -6.141 13.565 1.00 21.13 H new ATOM 0 HE2 MET A 63 1.711 -7.082 13.109 1.00 21.13 H new ATOM 0 HE3 MET A 63 1.165 -5.736 12.081 1.00 21.13 H new ATOM 1037 N VAL A 64 3.387 -5.307 7.965 1.00 41.30 N ATOM 1038 CA VAL A 64 3.722 -4.089 7.211 1.00 10.42 C ATOM 1039 C VAL A 64 4.367 -4.444 5.854 1.00 64.32 C ATOM 1040 O VAL A 64 3.836 -4.058 4.817 1.00 54.01 O ATOM 1041 CB VAL A 64 4.658 -3.127 8.049 1.00 41.52 C ATOM 1042 CG1 VAL A 64 5.156 -1.939 7.199 1.00 11.03 C ATOM 1043 CG2 VAL A 64 3.931 -2.608 9.318 1.00 41.22 C ATOM 0 H VAL A 64 3.835 -5.351 8.881 1.00 41.30 H new ATOM 0 HA VAL A 64 2.792 -3.554 7.017 1.00 10.42 H new ATOM 0 HB VAL A 64 5.525 -3.711 8.358 1.00 41.52 H new ATOM 0 HG11 VAL A 64 5.796 -1.300 7.807 1.00 11.03 H new ATOM 0 HG12 VAL A 64 5.722 -2.314 6.346 1.00 11.03 H new ATOM 0 HG13 VAL A 64 4.302 -1.363 6.842 1.00 11.03 H new ATOM 0 HG21 VAL A 64 4.597 -1.949 9.875 1.00 41.22 H new ATOM 0 HG22 VAL A 64 3.037 -2.057 9.026 1.00 41.22 H new ATOM 0 HG23 VAL A 64 3.647 -3.453 9.946 1.00 41.22 H new ATOM 1053 N ALA A 65 5.478 -5.227 5.883 1.00 4.43 N ATOM 1054 CA ALA A 65 6.203 -5.652 4.656 1.00 15.03 C ATOM 1055 C ALA A 65 5.279 -6.443 3.726 1.00 33.52 C ATOM 1056 O ALA A 65 5.282 -6.233 2.511 1.00 12.32 O ATOM 1057 CB ALA A 65 7.450 -6.490 5.000 1.00 14.34 C ATOM 0 H ALA A 65 5.892 -5.578 6.747 1.00 4.43 H new ATOM 0 HA ALA A 65 6.532 -4.749 4.142 1.00 15.03 H new ATOM 0 HB1 ALA A 65 7.956 -6.784 4.080 1.00 14.34 H new ATOM 0 HB2 ALA A 65 8.128 -5.898 5.614 1.00 14.34 H new ATOM 0 HB3 ALA A 65 7.149 -7.382 5.549 1.00 14.34 H new ATOM 1063 N GLY A 66 4.478 -7.334 4.336 1.00 34.02 N ATOM 1064 CA GLY A 66 3.488 -8.125 3.618 1.00 11.30 C ATOM 1065 C GLY A 66 2.509 -7.252 2.842 1.00 4.40 C ATOM 1066 O GLY A 66 2.202 -7.550 1.693 1.00 0.23 O ATOM 0 H GLY A 66 4.506 -7.519 5.339 1.00 34.02 H new ATOM 0 HA2 GLY A 66 3.995 -8.801 2.929 1.00 11.30 H new ATOM 0 HA3 GLY A 66 2.938 -8.745 4.326 1.00 11.30 H new ATOM 1070 N TYR A 67 2.053 -6.157 3.483 1.00 63.34 N ATOM 1071 CA TYR A 67 1.115 -5.184 2.885 1.00 60.43 C ATOM 1072 C TYR A 67 1.778 -4.352 1.786 1.00 30.40 C ATOM 1073 O TYR A 67 1.125 -4.055 0.787 1.00 2.40 O ATOM 1074 CB TYR A 67 0.522 -4.238 3.960 1.00 61.22 C ATOM 1075 CG TYR A 67 -0.459 -4.889 4.943 1.00 20.24 C ATOM 1076 CD1 TYR A 67 -1.237 -6.003 4.595 1.00 50.35 C ATOM 1077 CD2 TYR A 67 -0.645 -4.351 6.207 1.00 21.13 C ATOM 1078 CE1 TYR A 67 -2.144 -6.551 5.480 1.00 52.33 C ATOM 1079 CE2 TYR A 67 -1.540 -4.898 7.088 1.00 75.03 C ATOM 1080 CZ TYR A 67 -2.295 -5.989 6.724 1.00 50.53 C ATOM 1081 OH TYR A 67 -3.204 -6.521 7.618 1.00 32.35 O ATOM 0 H TYR A 67 2.327 -5.921 4.437 1.00 63.34 H new ATOM 0 HA TYR A 67 0.309 -5.767 2.439 1.00 60.43 H new ATOM 0 HB2 TYR A 67 1.344 -3.802 4.529 1.00 61.22 H new ATOM 0 HB3 TYR A 67 0.013 -3.417 3.455 1.00 61.22 H new ATOM 0 HD1 TYR A 67 -1.124 -6.441 3.614 1.00 50.35 H new ATOM 0 HD2 TYR A 67 -0.073 -3.484 6.503 1.00 21.13 H new ATOM 0 HE1 TYR A 67 -2.729 -7.413 5.197 1.00 52.33 H new ATOM 0 HE2 TYR A 67 -1.654 -4.471 8.073 1.00 75.03 H new ATOM 0 HH TYR A 67 -3.184 -6.005 8.451 1.00 32.35 H new ATOM 1091 N ILE A 68 3.069 -3.983 1.991 1.00 21.02 N ATOM 1092 CA ILE A 68 3.844 -3.193 1.009 1.00 35.43 C ATOM 1093 C ILE A 68 3.885 -3.955 -0.316 1.00 62.40 C ATOM 1094 O ILE A 68 3.384 -3.473 -1.328 1.00 75.34 O ATOM 1095 CB ILE A 68 5.333 -2.897 1.466 1.00 24.11 C ATOM 1096 CG1 ILE A 68 5.385 -2.170 2.845 1.00 41.41 C ATOM 1097 CG2 ILE A 68 6.086 -2.074 0.384 1.00 11.11 C ATOM 1098 CD1 ILE A 68 6.787 -1.923 3.390 1.00 65.34 C ATOM 0 H ILE A 68 3.593 -4.223 2.832 1.00 21.02 H new ATOM 0 HA ILE A 68 3.341 -2.231 0.912 1.00 35.43 H new ATOM 0 HB ILE A 68 5.833 -3.858 1.585 1.00 24.11 H new ATOM 0 HG12 ILE A 68 4.873 -1.212 2.753 1.00 41.41 H new ATOM 0 HG13 ILE A 68 4.828 -2.761 3.572 1.00 41.41 H new ATOM 0 HG21 ILE A 68 7.106 -1.882 0.717 1.00 11.11 H new ATOM 0 HG22 ILE A 68 6.109 -2.636 -0.550 1.00 11.11 H new ATOM 0 HG23 ILE A 68 5.572 -1.126 0.224 1.00 11.11 H new ATOM 0 HD11 ILE A 68 6.719 -1.413 4.351 1.00 65.34 H new ATOM 0 HD12 ILE A 68 7.300 -2.876 3.520 1.00 65.34 H new ATOM 0 HD13 ILE A 68 7.346 -1.303 2.689 1.00 65.34 H new ATOM 1110 N LYS A 69 4.432 -5.184 -0.255 1.00 45.45 N ATOM 1111 CA LYS A 69 4.574 -6.053 -1.424 1.00 40.33 C ATOM 1112 C LYS A 69 3.198 -6.364 -2.024 1.00 61.42 C ATOM 1113 O LYS A 69 3.041 -6.325 -3.234 1.00 53.40 O ATOM 1114 CB LYS A 69 5.293 -7.370 -1.047 1.00 32.35 C ATOM 1115 CG LYS A 69 5.700 -8.239 -2.262 1.00 32.03 C ATOM 1116 CD LYS A 69 6.183 -9.651 -1.868 1.00 11.31 C ATOM 1117 CE LYS A 69 5.085 -10.482 -1.184 1.00 60.45 C ATOM 1118 NZ LYS A 69 3.865 -10.615 -2.030 1.00 44.30 N ATOM 0 H LYS A 69 4.786 -5.596 0.608 1.00 45.45 H new ATOM 0 HA LYS A 69 5.177 -5.529 -2.165 1.00 40.33 H new ATOM 0 HB2 LYS A 69 6.186 -7.131 -0.469 1.00 32.35 H new ATOM 0 HB3 LYS A 69 4.641 -7.955 -0.398 1.00 32.35 H new ATOM 0 HG2 LYS A 69 4.849 -8.329 -2.937 1.00 32.03 H new ATOM 0 HG3 LYS A 69 6.492 -7.732 -2.813 1.00 32.03 H new ATOM 0 HD2 LYS A 69 6.528 -10.175 -2.759 1.00 11.31 H new ATOM 0 HD3 LYS A 69 7.039 -9.565 -1.198 1.00 11.31 H new ATOM 0 HE2 LYS A 69 5.474 -11.474 -0.953 1.00 60.45 H new ATOM 0 HE3 LYS A 69 4.818 -10.016 -0.236 1.00 60.45 H new ATOM 0 HZ1 LYS A 69 3.072 -10.119 -1.576 1.00 44.30 H new ATOM 0 HZ2 LYS A 69 4.044 -10.197 -2.965 1.00 44.30 H new ATOM 0 HZ3 LYS A 69 3.627 -11.621 -2.140 1.00 44.30 H new ATOM 1132 N GLN A 70 2.201 -6.618 -1.141 1.00 23.42 N ATOM 1133 CA GLN A 70 0.821 -6.961 -1.544 1.00 2.04 C ATOM 1134 C GLN A 70 0.212 -5.873 -2.439 1.00 71.21 C ATOM 1135 O GLN A 70 -0.313 -6.183 -3.502 1.00 31.35 O ATOM 1136 CB GLN A 70 -0.082 -7.177 -0.302 1.00 51.20 C ATOM 1137 CG GLN A 70 -1.557 -7.528 -0.608 1.00 4.13 C ATOM 1138 CD GLN A 70 -2.426 -7.672 0.645 1.00 42.41 C ATOM 1139 OE1 GLN A 70 -2.171 -7.047 1.669 1.00 23.50 O ATOM 1140 NE2 GLN A 70 -3.454 -8.496 0.576 1.00 11.42 N ATOM 0 H GLN A 70 2.334 -6.590 -0.130 1.00 23.42 H new ATOM 0 HA GLN A 70 0.874 -7.890 -2.112 1.00 2.04 H new ATOM 0 HB2 GLN A 70 0.346 -7.976 0.303 1.00 51.20 H new ATOM 0 HB3 GLN A 70 -0.060 -6.271 0.304 1.00 51.20 H new ATOM 0 HG2 GLN A 70 -1.981 -6.753 -1.247 1.00 4.13 H new ATOM 0 HG3 GLN A 70 -1.590 -8.460 -1.172 1.00 4.13 H new ATOM 0 HE21 GLN A 70 -3.644 -9.004 -0.288 1.00 11.42 H new ATOM 0 HE22 GLN A 70 -4.059 -8.625 1.387 1.00 11.42 H new ATOM 1149 N THR A 71 0.335 -4.594 -2.022 1.00 45.55 N ATOM 1150 CA THR A 71 -0.288 -3.474 -2.738 1.00 63.12 C ATOM 1151 C THR A 71 0.531 -3.126 -3.983 1.00 51.43 C ATOM 1152 O THR A 71 -0.016 -2.596 -4.959 1.00 73.53 O ATOM 1153 CB THR A 71 -0.512 -2.221 -1.820 1.00 34.30 C ATOM 1154 OG1 THR A 71 -1.169 -1.176 -2.549 1.00 23.22 O ATOM 1155 CG2 THR A 71 0.766 -1.652 -1.193 1.00 62.23 C ATOM 0 H THR A 71 0.861 -4.318 -1.193 1.00 45.55 H new ATOM 0 HA THR A 71 -1.281 -3.794 -3.053 1.00 63.12 H new ATOM 0 HB THR A 71 -1.133 -2.582 -1.000 1.00 34.30 H new ATOM 0 HG1 THR A 71 -0.498 -0.601 -2.972 1.00 23.22 H new ATOM 0 HG21 THR A 71 0.515 -0.789 -0.576 1.00 62.23 H new ATOM 0 HG22 THR A 71 1.239 -2.415 -0.575 1.00 62.23 H new ATOM 0 HG23 THR A 71 1.453 -1.346 -1.982 1.00 62.23 H new ATOM 1163 N LEU A 72 1.843 -3.451 -3.948 1.00 4.25 N ATOM 1164 CA LEU A 72 2.703 -3.355 -5.133 1.00 41.34 C ATOM 1165 C LEU A 72 2.287 -4.396 -6.169 1.00 23.24 C ATOM 1166 O LEU A 72 2.263 -4.086 -7.337 1.00 45.10 O ATOM 1167 CB LEU A 72 4.218 -3.501 -4.790 1.00 74.21 C ATOM 1168 CG LEU A 72 4.818 -2.381 -3.884 1.00 35.42 C ATOM 1169 CD1 LEU A 72 6.355 -2.484 -3.783 1.00 25.11 C ATOM 1170 CD2 LEU A 72 4.360 -0.985 -4.352 1.00 50.21 C ATOM 0 H LEU A 72 2.322 -3.781 -3.110 1.00 4.25 H new ATOM 0 HA LEU A 72 2.569 -2.356 -5.547 1.00 41.34 H new ATOM 0 HB2 LEU A 72 4.369 -4.461 -4.297 1.00 74.21 H new ATOM 0 HB3 LEU A 72 4.782 -3.529 -5.723 1.00 74.21 H new ATOM 0 HG LEU A 72 4.431 -2.530 -2.876 1.00 35.42 H new ATOM 0 HD11 LEU A 72 6.732 -1.686 -3.143 1.00 25.11 H new ATOM 0 HD12 LEU A 72 6.628 -3.450 -3.357 1.00 25.11 H new ATOM 0 HD13 LEU A 72 6.792 -2.389 -4.777 1.00 25.11 H new ATOM 0 HD21 LEU A 72 4.793 -0.224 -3.703 1.00 50.21 H new ATOM 0 HD22 LEU A 72 4.690 -0.818 -5.377 1.00 50.21 H new ATOM 0 HD23 LEU A 72 3.273 -0.925 -4.307 1.00 50.21 H new ATOM 1182 N ASP A 73 1.918 -5.611 -5.712 1.00 52.12 N ATOM 1183 CA ASP A 73 1.519 -6.733 -6.597 1.00 61.21 C ATOM 1184 C ASP A 73 0.125 -6.496 -7.190 1.00 24.00 C ATOM 1185 O ASP A 73 -0.103 -6.771 -8.375 1.00 51.31 O ATOM 1186 CB ASP A 73 1.535 -8.097 -5.839 1.00 44.13 C ATOM 1187 CG ASP A 73 2.941 -8.560 -5.410 1.00 65.22 C ATOM 1188 OD1 ASP A 73 3.096 -9.075 -4.279 1.00 43.34 O ATOM 1189 OD2 ASP A 73 3.894 -8.430 -6.213 1.00 41.34 O ATOM 0 H ASP A 73 1.887 -5.845 -4.720 1.00 52.12 H new ATOM 0 HA ASP A 73 2.250 -6.776 -7.404 1.00 61.21 H new ATOM 0 HB2 ASP A 73 0.905 -8.016 -4.954 1.00 44.13 H new ATOM 0 HB3 ASP A 73 1.091 -8.861 -6.478 1.00 44.13 H new ATOM 1194 N ASN A 74 -0.793 -5.988 -6.347 1.00 42.45 N ATOM 1195 CA ASN A 74 -2.175 -5.665 -6.749 1.00 63.33 C ATOM 1196 C ASN A 74 -2.154 -4.585 -7.835 1.00 33.32 C ATOM 1197 O ASN A 74 -2.719 -4.766 -8.924 1.00 41.13 O ATOM 1198 CB ASN A 74 -3.027 -5.183 -5.533 1.00 31.44 C ATOM 1199 CG ASN A 74 -3.217 -6.234 -4.431 1.00 3.02 C ATOM 1200 OD1 ASN A 74 -3.234 -7.438 -4.684 1.00 51.03 O ATOM 1201 ND2 ASN A 74 -3.379 -5.777 -3.193 1.00 52.11 N ATOM 0 H ASN A 74 -0.597 -5.790 -5.366 1.00 42.45 H new ATOM 0 HA ASN A 74 -2.637 -6.572 -7.140 1.00 63.33 H new ATOM 0 HB2 ASN A 74 -2.553 -4.303 -5.100 1.00 31.44 H new ATOM 0 HB3 ASN A 74 -4.008 -4.872 -5.893 1.00 31.44 H new ATOM 0 HD21 ASN A 74 -3.522 -6.430 -2.423 1.00 52.11 H new ATOM 0 HD22 ASN A 74 -3.360 -4.773 -3.013 1.00 52.11 H new ATOM 1208 N GLU A 75 -1.437 -3.479 -7.545 1.00 73.14 N ATOM 1209 CA GLU A 75 -1.348 -2.334 -8.460 1.00 2.13 C ATOM 1210 C GLU A 75 -0.383 -2.618 -9.642 1.00 41.51 C ATOM 1211 O GLU A 75 -0.461 -1.940 -10.661 1.00 60.40 O ATOM 1212 CB GLU A 75 -0.944 -1.030 -7.713 1.00 33.33 C ATOM 1213 CG GLU A 75 -1.362 0.264 -8.463 1.00 73.22 C ATOM 1214 CD GLU A 75 -0.670 1.549 -7.977 1.00 34.22 C ATOM 1215 OE1 GLU A 75 -0.204 2.340 -8.820 1.00 30.14 O ATOM 1216 OE2 GLU A 75 -0.594 1.782 -6.761 1.00 70.04 O ATOM 0 H GLU A 75 -0.911 -3.360 -6.679 1.00 73.14 H new ATOM 0 HA GLU A 75 -2.345 -2.182 -8.875 1.00 2.13 H new ATOM 0 HB2 GLU A 75 -1.400 -1.031 -6.723 1.00 33.33 H new ATOM 0 HB3 GLU A 75 0.136 -1.024 -7.566 1.00 33.33 H new ATOM 0 HG2 GLU A 75 -1.151 0.135 -9.525 1.00 73.22 H new ATOM 0 HG3 GLU A 75 -2.440 0.391 -8.365 1.00 73.22 H new ATOM 1223 N GLN A 76 0.517 -3.620 -9.499 1.00 64.30 N ATOM 1224 CA GLN A 76 1.399 -4.079 -10.606 1.00 40.42 C ATOM 1225 C GLN A 76 0.556 -4.770 -11.679 1.00 75.05 C ATOM 1226 O GLN A 76 0.704 -4.490 -12.875 1.00 54.24 O ATOM 1227 CB GLN A 76 2.488 -5.052 -10.078 1.00 1.11 C ATOM 1228 CG GLN A 76 3.432 -5.657 -11.133 1.00 42.20 C ATOM 1229 CD GLN A 76 4.580 -6.500 -10.545 1.00 22.23 C ATOM 1230 OE1 GLN A 76 4.353 -7.168 -9.413 1.00 73.43 O flip ATOM 1231 NE2 GLN A 76 5.671 -6.564 -11.122 1.00 14.13 N flip ATOM 0 H GLN A 76 0.654 -4.129 -8.626 1.00 64.30 H new ATOM 0 HA GLN A 76 1.898 -3.211 -11.037 1.00 40.42 H new ATOM 0 HB2 GLN A 76 3.092 -4.522 -9.342 1.00 1.11 H new ATOM 0 HB3 GLN A 76 1.992 -5.869 -9.554 1.00 1.11 H new ATOM 0 HG2 GLN A 76 2.849 -6.280 -11.811 1.00 42.20 H new ATOM 0 HG3 GLN A 76 3.858 -4.850 -11.729 1.00 42.20 H new ATOM 0 HE21 GLN A 76 5.822 -6.044 -11.987 1.00 14.13 H new ATOM 0 HE22 GLN A 76 6.421 -7.136 -10.734 1.00 14.13 H new ATOM 1240 N LEU A 77 -0.339 -5.669 -11.228 1.00 12.02 N ATOM 1241 CA LEU A 77 -1.306 -6.333 -12.107 1.00 50.43 C ATOM 1242 C LEU A 77 -2.221 -5.286 -12.749 1.00 35.11 C ATOM 1243 O LEU A 77 -2.541 -5.398 -13.924 1.00 41.03 O ATOM 1244 CB LEU A 77 -2.129 -7.393 -11.332 1.00 4.52 C ATOM 1245 CG LEU A 77 -1.343 -8.642 -10.837 1.00 13.13 C ATOM 1246 CD1 LEU A 77 -2.245 -9.574 -10.001 1.00 13.53 C ATOM 1247 CD2 LEU A 77 -0.694 -9.395 -12.020 1.00 60.20 C ATOM 0 H LEU A 77 -0.408 -5.951 -10.250 1.00 12.02 H new ATOM 0 HA LEU A 77 -0.764 -6.857 -12.894 1.00 50.43 H new ATOM 0 HB2 LEU A 77 -2.584 -6.909 -10.468 1.00 4.52 H new ATOM 0 HB3 LEU A 77 -2.943 -7.732 -11.973 1.00 4.52 H new ATOM 0 HG LEU A 77 -0.540 -8.295 -10.187 1.00 13.13 H new ATOM 0 HD11 LEU A 77 -1.668 -10.437 -9.669 1.00 13.53 H new ATOM 0 HD12 LEU A 77 -2.621 -9.033 -9.132 1.00 13.53 H new ATOM 0 HD13 LEU A 77 -3.084 -9.911 -10.610 1.00 13.53 H new ATOM 0 HD21 LEU A 77 -0.151 -10.263 -11.645 1.00 60.20 H new ATOM 0 HD22 LEU A 77 -1.470 -9.723 -12.712 1.00 60.20 H new ATOM 0 HD23 LEU A 77 -0.002 -8.731 -12.539 1.00 60.20 H new ATOM 1259 N LEU A 78 -2.605 -4.254 -11.954 1.00 12.14 N ATOM 1260 CA LEU A 78 -3.355 -3.089 -12.464 1.00 13.34 C ATOM 1261 C LEU A 78 -2.587 -2.356 -13.568 1.00 72.31 C ATOM 1262 O LEU A 78 -3.183 -1.992 -14.564 1.00 1.21 O ATOM 1263 CB LEU A 78 -3.747 -2.101 -11.327 1.00 41.10 C ATOM 1264 CG LEU A 78 -4.801 -2.628 -10.315 1.00 75.12 C ATOM 1265 CD1 LEU A 78 -5.204 -1.543 -9.303 1.00 70.14 C ATOM 1266 CD2 LEU A 78 -6.026 -3.183 -11.055 1.00 13.52 C ATOM 0 H LEU A 78 -2.404 -4.211 -10.955 1.00 12.14 H new ATOM 0 HA LEU A 78 -4.275 -3.483 -12.895 1.00 13.34 H new ATOM 0 HB2 LEU A 78 -2.845 -1.831 -10.778 1.00 41.10 H new ATOM 0 HB3 LEU A 78 -4.130 -1.187 -11.780 1.00 41.10 H new ATOM 0 HG LEU A 78 -4.347 -3.441 -9.749 1.00 75.12 H new ATOM 0 HD11 LEU A 78 -5.943 -1.947 -8.611 1.00 70.14 H new ATOM 0 HD12 LEU A 78 -4.324 -1.220 -8.747 1.00 70.14 H new ATOM 0 HD13 LEU A 78 -5.631 -0.692 -9.833 1.00 70.14 H new ATOM 0 HD21 LEU A 78 -6.754 -3.548 -10.331 1.00 13.52 H new ATOM 0 HD22 LEU A 78 -6.477 -2.393 -11.656 1.00 13.52 H new ATOM 0 HD23 LEU A 78 -5.718 -4.003 -11.704 1.00 13.52 H new ATOM 1278 N LYS A 79 -1.266 -2.159 -13.401 1.00 15.34 N ATOM 1279 CA LYS A 79 -0.422 -1.527 -14.442 1.00 41.01 C ATOM 1280 C LYS A 79 -0.532 -2.319 -15.748 1.00 74.02 C ATOM 1281 O LYS A 79 -0.788 -1.741 -16.802 1.00 50.32 O ATOM 1282 CB LYS A 79 1.065 -1.422 -13.981 1.00 21.42 C ATOM 1283 CG LYS A 79 1.287 -0.418 -12.830 1.00 72.53 C ATOM 1284 CD LYS A 79 1.052 1.046 -13.271 1.00 32.51 C ATOM 1285 CE LYS A 79 0.718 1.977 -12.099 1.00 4.25 C ATOM 1286 NZ LYS A 79 -0.603 1.626 -11.504 1.00 54.23 N ATOM 0 H LYS A 79 -0.757 -2.426 -12.558 1.00 15.34 H new ATOM 0 HA LYS A 79 -0.783 -0.512 -14.610 1.00 41.01 H new ATOM 0 HB2 LYS A 79 1.408 -2.407 -13.664 1.00 21.42 H new ATOM 0 HB3 LYS A 79 1.680 -1.128 -14.832 1.00 21.42 H new ATOM 0 HG2 LYS A 79 0.615 -0.659 -12.007 1.00 72.53 H new ATOM 0 HG3 LYS A 79 2.304 -0.522 -12.452 1.00 72.53 H new ATOM 0 HD2 LYS A 79 1.943 1.415 -13.778 1.00 32.51 H new ATOM 0 HD3 LYS A 79 0.238 1.076 -13.995 1.00 32.51 H new ATOM 0 HE2 LYS A 79 1.495 1.905 -11.338 1.00 4.25 H new ATOM 0 HE3 LYS A 79 0.704 3.011 -12.443 1.00 4.25 H new ATOM 0 HZ1 LYS A 79 -0.607 1.878 -10.495 1.00 54.23 H new ATOM 0 HZ2 LYS A 79 -1.355 2.150 -11.995 1.00 54.23 H new ATOM 0 HZ3 LYS A 79 -0.770 0.605 -11.607 1.00 54.23 H new ATOM 1300 N GLY A 80 -0.406 -3.651 -15.621 1.00 40.35 N ATOM 1301 CA GLY A 80 -0.508 -4.575 -16.747 1.00 12.52 C ATOM 1302 C GLY A 80 -1.906 -4.663 -17.360 1.00 32.43 C ATOM 1303 O GLY A 80 -2.054 -4.938 -18.555 1.00 1.43 O ATOM 0 H GLY A 80 -0.230 -4.112 -14.728 1.00 40.35 H new ATOM 0 HA2 GLY A 80 0.197 -4.268 -17.520 1.00 12.52 H new ATOM 0 HA3 GLY A 80 -0.205 -5.568 -16.416 1.00 12.52 H new ATOM 1307 N LEU A 81 -2.927 -4.422 -16.530 1.00 72.51 N ATOM 1308 CA LEU A 81 -4.350 -4.595 -16.888 1.00 53.10 C ATOM 1309 C LEU A 81 -4.891 -3.328 -17.583 1.00 5.42 C ATOM 1310 O LEU A 81 -5.655 -3.413 -18.544 1.00 72.03 O ATOM 1311 CB LEU A 81 -5.140 -4.926 -15.576 1.00 23.50 C ATOM 1312 CG LEU A 81 -6.552 -5.599 -15.699 1.00 60.34 C ATOM 1313 CD1 LEU A 81 -6.941 -6.298 -14.378 1.00 62.11 C ATOM 1314 CD2 LEU A 81 -7.649 -4.595 -16.105 1.00 14.32 C ATOM 0 H LEU A 81 -2.791 -4.096 -15.573 1.00 72.51 H new ATOM 0 HA LEU A 81 -4.472 -5.414 -17.597 1.00 53.10 H new ATOM 0 HB2 LEU A 81 -4.514 -5.579 -14.968 1.00 23.50 H new ATOM 0 HB3 LEU A 81 -5.264 -3.996 -15.021 1.00 23.50 H new ATOM 0 HG LEU A 81 -6.477 -6.342 -16.493 1.00 60.34 H new ATOM 0 HD11 LEU A 81 -7.923 -6.758 -14.485 1.00 62.11 H new ATOM 0 HD12 LEU A 81 -6.204 -7.066 -14.142 1.00 62.11 H new ATOM 0 HD13 LEU A 81 -6.970 -5.564 -13.573 1.00 62.11 H new ATOM 0 HD21 LEU A 81 -8.606 -5.111 -16.176 1.00 14.32 H new ATOM 0 HD22 LEU A 81 -7.717 -3.807 -15.355 1.00 14.32 H new ATOM 0 HD23 LEU A 81 -7.401 -4.156 -17.071 1.00 14.32 H new ATOM 1326 N LEU A 82 -4.469 -2.166 -17.081 1.00 53.42 N ATOM 1327 CA LEU A 82 -5.032 -0.860 -17.460 1.00 61.45 C ATOM 1328 C LEU A 82 -4.376 -0.320 -18.754 1.00 34.04 C ATOM 1329 O LEU A 82 -5.081 0.157 -19.642 1.00 42.44 O ATOM 1330 CB LEU A 82 -4.870 0.123 -16.262 1.00 61.22 C ATOM 1331 CG LEU A 82 -5.687 -0.252 -14.968 1.00 30.22 C ATOM 1332 CD1 LEU A 82 -5.225 0.548 -13.740 1.00 72.24 C ATOM 1333 CD2 LEU A 82 -7.196 -0.083 -15.176 1.00 3.22 C ATOM 0 H LEU A 82 -3.719 -2.100 -16.393 1.00 53.42 H new ATOM 0 HA LEU A 82 -6.094 -0.968 -17.682 1.00 61.45 H new ATOM 0 HB2 LEU A 82 -3.813 0.180 -16.001 1.00 61.22 H new ATOM 0 HB3 LEU A 82 -5.172 1.119 -16.587 1.00 61.22 H new ATOM 0 HG LEU A 82 -5.486 -1.306 -14.776 1.00 30.22 H new ATOM 0 HD11 LEU A 82 -5.816 0.256 -12.872 1.00 72.24 H new ATOM 0 HD12 LEU A 82 -4.172 0.343 -13.547 1.00 72.24 H new ATOM 0 HD13 LEU A 82 -5.359 1.613 -13.928 1.00 72.24 H new ATOM 0 HD21 LEU A 82 -7.722 -0.352 -14.260 1.00 3.22 H new ATOM 0 HD22 LEU A 82 -7.415 0.955 -15.429 1.00 3.22 H new ATOM 0 HD23 LEU A 82 -7.526 -0.731 -15.988 1.00 3.22 H new ATOM 1490 N LEU A 92 1.003 10.776 -7.909 1.00 42.01 N ATOM 1491 CA LEU A 92 1.324 10.850 -6.470 1.00 23.23 C ATOM 1492 C LEU A 92 2.432 11.907 -6.269 1.00 41.54 C ATOM 1493 O LEU A 92 2.343 12.981 -6.886 1.00 1.50 O ATOM 1494 CB LEU A 92 1.730 9.426 -5.963 1.00 25.34 C ATOM 1495 CG LEU A 92 0.568 8.385 -5.892 1.00 52.40 C ATOM 1496 CD1 LEU A 92 1.051 6.987 -5.477 1.00 21.14 C ATOM 1497 CD2 LEU A 92 -0.542 8.879 -4.958 1.00 2.21 C ATOM 0 HA LEU A 92 0.463 11.163 -5.879 1.00 23.23 H new ATOM 0 HB2 LEU A 92 2.508 9.033 -6.618 1.00 25.34 H new ATOM 0 HB3 LEU A 92 2.169 9.524 -4.970 1.00 25.34 H new ATOM 0 HG LEU A 92 0.164 8.290 -6.900 1.00 52.40 H new ATOM 0 HD11 LEU A 92 0.202 6.304 -5.444 1.00 21.14 H new ATOM 0 HD12 LEU A 92 1.781 6.624 -6.201 1.00 21.14 H new ATOM 0 HD13 LEU A 92 1.513 7.039 -4.491 1.00 21.14 H new ATOM 0 HD21 LEU A 92 -1.343 8.140 -4.922 1.00 2.21 H new ATOM 0 HD22 LEU A 92 -0.137 9.025 -3.957 1.00 2.21 H new ATOM 0 HD23 LEU A 92 -0.937 9.824 -5.330 1.00 2.21 H new ATOM 1509 N ILE A 93 3.436 11.630 -5.379 1.00 12.21 N ATOM 1510 CA ILE A 93 4.661 12.472 -5.216 1.00 32.33 C ATOM 1511 C ILE A 93 5.254 12.838 -6.594 1.00 73.54 C ATOM 1512 O ILE A 93 5.641 13.982 -6.850 1.00 51.21 O ATOM 1513 CB ILE A 93 5.795 11.744 -4.378 1.00 31.33 C ATOM 1514 CG1 ILE A 93 5.237 11.116 -3.064 1.00 63.43 C ATOM 1515 CG2 ILE A 93 6.967 12.717 -4.066 1.00 5.14 C ATOM 1516 CD1 ILE A 93 6.245 10.261 -2.302 1.00 3.13 C ATOM 0 H ILE A 93 3.417 10.820 -4.759 1.00 12.21 H new ATOM 0 HA ILE A 93 4.343 13.365 -4.678 1.00 32.33 H new ATOM 0 HB ILE A 93 6.176 10.929 -4.994 1.00 31.33 H new ATOM 0 HG12 ILE A 93 4.890 11.917 -2.411 1.00 63.43 H new ATOM 0 HG13 ILE A 93 4.369 10.504 -3.307 1.00 63.43 H new ATOM 0 HG21 ILE A 93 7.731 12.194 -3.491 1.00 5.14 H new ATOM 0 HG22 ILE A 93 7.399 13.078 -5.000 1.00 5.14 H new ATOM 0 HG23 ILE A 93 6.594 13.563 -3.488 1.00 5.14 H new ATOM 0 HD11 ILE A 93 5.777 9.862 -1.402 1.00 3.13 H new ATOM 0 HD12 ILE A 93 6.575 9.437 -2.935 1.00 3.13 H new ATOM 0 HD13 ILE A 93 7.104 10.872 -2.024 1.00 3.13 H new ATOM 1528 N GLY A 94 5.298 11.824 -7.457 1.00 40.51 N ATOM 1529 CA GLY A 94 5.719 11.966 -8.830 1.00 72.12 C ATOM 1530 C GLY A 94 5.458 10.696 -9.617 1.00 42.34 C ATOM 1531 O GLY A 94 5.285 9.608 -9.023 1.00 32.12 O ATOM 0 H GLY A 94 5.036 10.870 -7.208 1.00 40.51 H new ATOM 0 HA2 GLY A 94 5.188 12.799 -9.292 1.00 72.12 H new ATOM 0 HA3 GLY A 94 6.782 12.207 -8.864 1.00 72.12 H new ATOM 1535 N GLN A 95 5.393 10.848 -10.945 1.00 53.12 N ATOM 1536 CA GLN A 95 5.313 9.733 -11.904 1.00 71.34 C ATOM 1537 C GLN A 95 6.502 8.758 -11.690 1.00 31.25 C ATOM 1538 O GLN A 95 7.652 9.204 -11.595 1.00 65.11 O ATOM 1539 CB GLN A 95 5.281 10.269 -13.385 1.00 43.55 C ATOM 1540 CG GLN A 95 6.555 11.023 -13.881 1.00 63.54 C ATOM 1541 CD GLN A 95 6.820 12.375 -13.189 1.00 31.13 C ATOM 1542 OE1 GLN A 95 5.894 13.088 -12.794 1.00 14.51 O ATOM 1543 NE2 GLN A 95 8.084 12.733 -13.021 1.00 34.44 N ATOM 0 H GLN A 95 5.394 11.764 -11.394 1.00 53.12 H new ATOM 0 HA GLN A 95 4.385 9.189 -11.729 1.00 71.34 H new ATOM 0 HB2 GLN A 95 5.104 9.424 -14.050 1.00 43.55 H new ATOM 0 HB3 GLN A 95 4.427 10.939 -13.487 1.00 43.55 H new ATOM 0 HG2 GLN A 95 7.422 10.379 -13.732 1.00 63.54 H new ATOM 0 HG3 GLN A 95 6.465 11.192 -14.954 1.00 63.54 H new ATOM 0 HE21 GLN A 95 8.834 12.128 -13.355 1.00 34.44 H new ATOM 0 HE22 GLN A 95 8.307 13.614 -12.557 1.00 34.44 H new ATOM 1552 N SER A 96 6.179 7.457 -11.525 1.00 72.41 N ATOM 1553 CA SER A 96 7.145 6.341 -11.345 1.00 14.33 C ATOM 1554 C SER A 96 7.759 6.269 -9.928 1.00 40.32 C ATOM 1555 O SER A 96 7.788 5.175 -9.334 1.00 71.25 O ATOM 1556 CB SER A 96 8.266 6.348 -12.421 1.00 73.43 C ATOM 1557 OG SER A 96 9.064 5.173 -12.359 1.00 64.32 O ATOM 0 H SER A 96 5.210 7.140 -11.512 1.00 72.41 H new ATOM 0 HA SER A 96 6.548 5.439 -11.476 1.00 14.33 H new ATOM 0 HB2 SER A 96 7.819 6.432 -13.411 1.00 73.43 H new ATOM 0 HB3 SER A 96 8.898 7.225 -12.282 1.00 73.43 H new ATOM 0 HG SER A 96 9.757 5.211 -13.051 1.00 64.32 H new ATOM 1563 N THR A 97 8.214 7.437 -9.382 1.00 54.35 N ATOM 1564 CA THR A 97 9.035 7.511 -8.140 1.00 51.43 C ATOM 1565 C THR A 97 8.397 6.756 -6.964 1.00 24.53 C ATOM 1566 O THR A 97 9.107 6.211 -6.126 1.00 71.20 O ATOM 1567 CB THR A 97 9.321 8.999 -7.686 1.00 54.22 C ATOM 1568 OG1 THR A 97 10.383 9.019 -6.710 1.00 20.14 O ATOM 1569 CG2 THR A 97 8.082 9.698 -7.072 1.00 0.33 C ATOM 0 H THR A 97 8.020 8.350 -9.793 1.00 54.35 H new ATOM 0 HA THR A 97 9.978 7.031 -8.403 1.00 51.43 H new ATOM 0 HB THR A 97 9.601 9.545 -8.587 1.00 54.22 H new ATOM 0 HG1 THR A 97 10.556 9.943 -6.434 1.00 20.14 H new ATOM 0 HG21 THR A 97 8.345 10.715 -6.781 1.00 0.33 H new ATOM 0 HG22 THR A 97 7.279 9.727 -7.808 1.00 0.33 H new ATOM 0 HG23 THR A 97 7.750 9.144 -6.194 1.00 0.33 H new ATOM 1577 N ARG A 98 7.059 6.739 -6.933 1.00 25.14 N ATOM 1578 CA ARG A 98 6.284 6.158 -5.833 1.00 52.20 C ATOM 1579 C ARG A 98 6.418 4.616 -5.751 1.00 2.42 C ATOM 1580 O ARG A 98 6.408 4.055 -4.655 1.00 1.14 O ATOM 1581 CB ARG A 98 4.802 6.643 -5.906 1.00 31.12 C ATOM 1582 CG ARG A 98 4.157 6.760 -7.319 1.00 72.24 C ATOM 1583 CD ARG A 98 3.961 5.420 -8.045 1.00 2.43 C ATOM 1584 NE ARG A 98 3.489 4.357 -7.130 1.00 60.44 N ATOM 1585 CZ ARG A 98 2.230 3.922 -7.018 1.00 75.20 C ATOM 1586 NH1 ARG A 98 1.254 4.437 -7.756 1.00 22.12 N ATOM 1587 NH2 ARG A 98 1.946 2.965 -6.154 1.00 45.12 N ATOM 0 H ARG A 98 6.481 7.131 -7.676 1.00 25.14 H new ATOM 0 HA ARG A 98 6.705 6.521 -4.895 1.00 52.20 H new ATOM 0 HB2 ARG A 98 4.194 5.960 -5.313 1.00 31.12 H new ATOM 0 HB3 ARG A 98 4.743 7.620 -5.426 1.00 31.12 H new ATOM 0 HG2 ARG A 98 3.189 7.251 -7.223 1.00 72.24 H new ATOM 0 HG3 ARG A 98 4.782 7.405 -7.937 1.00 72.24 H new ATOM 0 HD2 ARG A 98 3.242 5.548 -8.854 1.00 2.43 H new ATOM 0 HD3 ARG A 98 4.902 5.114 -8.501 1.00 2.43 H new ATOM 0 HE ARG A 98 4.187 3.917 -6.531 1.00 60.44 H new ATOM 0 HH11 ARG A 98 1.458 5.180 -8.425 1.00 22.12 H new ATOM 0 HH12 ARG A 98 0.300 4.090 -7.654 1.00 22.12 H new ATOM 0 HH21 ARG A 98 2.685 2.563 -5.577 1.00 45.12 H new ATOM 0 HH22 ARG A 98 0.988 2.628 -6.063 1.00 45.12 H new ATOM 1601 N GLN A 99 6.554 3.935 -6.911 1.00 31.31 N ATOM 1602 CA GLN A 99 6.784 2.472 -6.945 1.00 34.01 C ATOM 1603 C GLN A 99 8.165 2.164 -6.345 1.00 71.43 C ATOM 1604 O GLN A 99 8.324 1.206 -5.581 1.00 4.32 O ATOM 1605 CB GLN A 99 6.667 1.923 -8.393 1.00 1.33 C ATOM 1606 CG GLN A 99 5.245 2.020 -8.997 1.00 21.11 C ATOM 1607 CD GLN A 99 5.090 1.388 -10.392 1.00 44.24 C ATOM 1608 OE1 GLN A 99 4.020 0.886 -10.742 1.00 31.21 O ATOM 1609 NE2 GLN A 99 6.136 1.435 -11.213 1.00 22.23 N ATOM 0 H GLN A 99 6.509 4.372 -7.832 1.00 31.31 H new ATOM 0 HA GLN A 99 6.018 1.975 -6.350 1.00 34.01 H new ATOM 0 HB2 GLN A 99 7.359 2.469 -9.033 1.00 1.33 H new ATOM 0 HB3 GLN A 99 6.982 0.880 -8.400 1.00 1.33 H new ATOM 0 HG2 GLN A 99 4.543 1.539 -8.316 1.00 21.11 H new ATOM 0 HG3 GLN A 99 4.962 3.071 -9.057 1.00 21.11 H new ATOM 0 HE21 GLN A 99 7.011 1.856 -10.900 1.00 22.23 H new ATOM 0 HE22 GLN A 99 6.063 1.050 -12.155 1.00 22.23 H new ATOM 1618 N LYS A 100 9.144 3.036 -6.678 1.00 53.14 N ATOM 1619 CA LYS A 100 10.486 3.004 -6.086 1.00 63.03 C ATOM 1620 C LYS A 100 10.423 3.353 -4.591 1.00 53.44 C ATOM 1621 O LYS A 100 11.162 2.778 -3.818 1.00 34.12 O ATOM 1622 CB LYS A 100 11.453 3.971 -6.835 1.00 23.43 C ATOM 1623 CG LYS A 100 12.878 4.161 -6.220 1.00 73.11 C ATOM 1624 CD LYS A 100 13.938 3.078 -6.583 1.00 14.41 C ATOM 1625 CE LYS A 100 13.731 1.684 -5.927 1.00 54.43 C ATOM 1626 NZ LYS A 100 12.943 0.746 -6.785 1.00 52.42 N ATOM 0 H LYS A 100 9.018 3.779 -7.366 1.00 53.14 H new ATOM 0 HA LYS A 100 10.877 1.992 -6.190 1.00 63.03 H new ATOM 0 HB2 LYS A 100 11.570 3.610 -7.857 1.00 23.43 H new ATOM 0 HB3 LYS A 100 10.976 4.949 -6.895 1.00 23.43 H new ATOM 0 HG2 LYS A 100 13.260 5.132 -6.535 1.00 73.11 H new ATOM 0 HG3 LYS A 100 12.780 4.194 -5.135 1.00 73.11 H new ATOM 0 HD2 LYS A 100 13.945 2.952 -7.666 1.00 14.41 H new ATOM 0 HD3 LYS A 100 14.922 3.450 -6.299 1.00 14.41 H new ATOM 0 HE2 LYS A 100 14.704 1.241 -5.713 1.00 54.43 H new ATOM 0 HE3 LYS A 100 13.221 1.810 -4.972 1.00 54.43 H new ATOM 0 HZ1 LYS A 100 12.439 0.065 -6.182 1.00 52.42 H new ATOM 0 HZ2 LYS A 100 12.255 1.286 -7.348 1.00 52.42 H new ATOM 0 HZ3 LYS A 100 13.587 0.234 -7.422 1.00 52.42 H new ATOM 1640 N SER A 101 9.519 4.275 -4.199 1.00 71.20 N ATOM 1641 CA SER A 101 9.396 4.744 -2.802 1.00 40.24 C ATOM 1642 C SER A 101 8.978 3.599 -1.863 1.00 14.05 C ATOM 1643 O SER A 101 9.561 3.442 -0.792 1.00 32.25 O ATOM 1644 CB SER A 101 8.392 5.920 -2.704 1.00 11.12 C ATOM 1645 OG SER A 101 8.820 7.029 -3.477 1.00 31.44 O ATOM 0 H SER A 101 8.856 4.714 -4.838 1.00 71.20 H new ATOM 0 HA SER A 101 10.377 5.098 -2.484 1.00 40.24 H new ATOM 0 HB2 SER A 101 7.410 5.592 -3.047 1.00 11.12 H new ATOM 0 HB3 SER A 101 8.282 6.221 -1.662 1.00 11.12 H new ATOM 0 HG SER A 101 8.942 6.751 -4.409 1.00 31.44 H new ATOM 1651 N LEU A 102 7.975 2.795 -2.285 1.00 31.23 N ATOM 1652 CA LEU A 102 7.488 1.642 -1.485 1.00 71.35 C ATOM 1653 C LEU A 102 8.462 0.446 -1.565 1.00 51.11 C ATOM 1654 O LEU A 102 8.669 -0.247 -0.568 1.00 11.14 O ATOM 1655 CB LEU A 102 6.052 1.205 -1.899 1.00 71.15 C ATOM 1656 CG LEU A 102 4.866 2.106 -1.401 1.00 33.42 C ATOM 1657 CD1 LEU A 102 4.857 3.482 -2.080 1.00 63.34 C ATOM 1658 CD2 LEU A 102 3.508 1.386 -1.576 1.00 75.14 C ATOM 0 H LEU A 102 7.487 2.921 -3.172 1.00 31.23 H new ATOM 0 HA LEU A 102 7.444 1.979 -0.449 1.00 71.35 H new ATOM 0 HB2 LEU A 102 6.011 1.161 -2.987 1.00 71.15 H new ATOM 0 HB3 LEU A 102 5.886 0.192 -1.532 1.00 71.15 H new ATOM 0 HG LEU A 102 5.023 2.280 -0.336 1.00 33.42 H new ATOM 0 HD11 LEU A 102 4.019 4.068 -1.703 1.00 63.34 H new ATOM 0 HD12 LEU A 102 5.790 4.001 -1.862 1.00 63.34 H new ATOM 0 HD13 LEU A 102 4.755 3.355 -3.158 1.00 63.34 H new ATOM 0 HD21 LEU A 102 2.705 2.033 -1.223 1.00 75.14 H new ATOM 0 HD22 LEU A 102 3.352 1.155 -2.630 1.00 75.14 H new ATOM 0 HD23 LEU A 102 3.509 0.461 -0.999 1.00 75.14 H new ATOM 1670 N ASN A 103 9.045 0.200 -2.756 1.00 50.52 N ATOM 1671 CA ASN A 103 10.043 -0.883 -2.953 1.00 43.10 C ATOM 1672 C ASN A 103 11.313 -0.618 -2.105 1.00 25.22 C ATOM 1673 O ASN A 103 11.881 -1.538 -1.488 1.00 41.43 O ATOM 1674 CB ASN A 103 10.407 -1.002 -4.458 1.00 41.31 C ATOM 1675 CG ASN A 103 11.416 -2.114 -4.789 1.00 34.52 C ATOM 1676 OD1 ASN A 103 12.273 -1.941 -5.659 1.00 11.43 O ATOM 1677 ND2 ASN A 103 11.302 -3.271 -4.142 1.00 24.03 N ATOM 0 H ASN A 103 8.844 0.736 -3.601 1.00 50.52 H new ATOM 0 HA ASN A 103 9.606 -1.825 -2.622 1.00 43.10 H new ATOM 0 HB2 ASN A 103 9.493 -1.178 -5.026 1.00 41.31 H new ATOM 0 HB3 ASN A 103 10.814 -0.049 -4.796 1.00 41.31 H new ATOM 0 HD21 ASN A 103 11.933 -4.042 -4.361 1.00 24.03 H new ATOM 0 HD22 ASN A 103 10.584 -3.387 -3.427 1.00 24.03 H new ATOM 1684 N ASN A 104 11.719 0.657 -2.067 1.00 43.41 N ATOM 1685 CA ASN A 104 12.887 1.114 -1.299 1.00 34.51 C ATOM 1686 C ASN A 104 12.559 1.085 0.194 1.00 61.43 C ATOM 1687 O ASN A 104 13.396 0.695 0.995 1.00 72.52 O ATOM 1688 CB ASN A 104 13.313 2.540 -1.743 1.00 14.50 C ATOM 1689 CG ASN A 104 14.588 3.039 -1.064 1.00 42.40 C ATOM 1690 OD1 ASN A 104 14.544 3.730 -0.043 1.00 22.31 O ATOM 1691 ND2 ASN A 104 15.739 2.681 -1.618 1.00 0.21 N ATOM 0 H ASN A 104 11.244 1.406 -2.571 1.00 43.41 H new ATOM 0 HA ASN A 104 13.724 0.443 -1.491 1.00 34.51 H new ATOM 0 HB2 ASN A 104 13.461 2.546 -2.823 1.00 14.50 H new ATOM 0 HB3 ASN A 104 12.502 3.235 -1.529 1.00 14.50 H new ATOM 0 HD21 ASN A 104 16.621 2.978 -1.199 1.00 0.21 H new ATOM 0 HD22 ASN A 104 15.742 2.109 -2.462 1.00 0.21 H new ATOM 1698 N ALA A 105 11.315 1.469 0.538 1.00 44.52 N ATOM 1699 CA ALA A 105 10.802 1.418 1.921 1.00 51.45 C ATOM 1700 C ALA A 105 10.768 -0.029 2.446 1.00 5.43 C ATOM 1701 O ALA A 105 10.934 -0.263 3.644 1.00 61.31 O ATOM 1702 CB ALA A 105 9.403 2.040 1.993 1.00 64.31 C ATOM 0 H ALA A 105 10.636 1.824 -0.136 1.00 44.52 H new ATOM 0 HA ALA A 105 11.478 1.993 2.553 1.00 51.45 H new ATOM 0 HB1 ALA A 105 9.037 1.995 3.019 1.00 64.31 H new ATOM 0 HB2 ALA A 105 9.450 3.080 1.669 1.00 64.31 H new ATOM 0 HB3 ALA A 105 8.725 1.488 1.342 1.00 64.31 H new ATOM 1708 N TYR A 106 10.544 -0.989 1.523 1.00 65.04 N ATOM 1709 CA TYR A 106 10.567 -2.426 1.828 1.00 72.32 C ATOM 1710 C TYR A 106 12.009 -2.839 2.180 1.00 11.04 C ATOM 1711 O TYR A 106 12.239 -3.498 3.198 1.00 43.33 O ATOM 1712 CB TYR A 106 10.033 -3.259 0.619 1.00 23.54 C ATOM 1713 CG TYR A 106 9.634 -4.714 0.958 1.00 62.20 C ATOM 1714 CD1 TYR A 106 10.563 -5.658 1.423 1.00 21.00 C ATOM 1715 CD2 TYR A 106 8.318 -5.142 0.816 1.00 51.11 C ATOM 1716 CE1 TYR A 106 10.185 -6.949 1.732 1.00 44.21 C ATOM 1717 CE2 TYR A 106 7.947 -6.431 1.122 1.00 71.40 C ATOM 1718 CZ TYR A 106 8.874 -7.328 1.580 1.00 41.34 C ATOM 1719 OH TYR A 106 8.482 -8.616 1.894 1.00 14.33 O ATOM 0 H TYR A 106 10.342 -0.783 0.545 1.00 65.04 H new ATOM 0 HA TYR A 106 9.914 -2.626 2.678 1.00 72.32 H new ATOM 0 HB2 TYR A 106 9.167 -2.748 0.199 1.00 23.54 H new ATOM 0 HB3 TYR A 106 10.799 -3.279 -0.157 1.00 23.54 H new ATOM 0 HD1 TYR A 106 11.596 -5.368 1.542 1.00 21.00 H new ATOM 0 HD2 TYR A 106 7.572 -4.448 0.458 1.00 51.11 H new ATOM 0 HE1 TYR A 106 10.917 -7.657 2.091 1.00 44.21 H new ATOM 0 HE2 TYR A 106 6.918 -6.737 1.000 1.00 71.40 H new ATOM 0 HH TYR A 106 7.521 -8.715 1.729 1.00 14.33 H new ATOM 1729 N GLY A 107 12.964 -2.460 1.303 1.00 12.24 N ATOM 1730 CA GLY A 107 14.391 -2.732 1.532 1.00 41.52 C ATOM 1731 C GLY A 107 14.943 -2.035 2.778 1.00 70.35 C ATOM 1732 O GLY A 107 15.857 -2.540 3.441 1.00 74.51 O ATOM 0 H GLY A 107 12.768 -1.966 0.433 1.00 12.24 H new ATOM 0 HA2 GLY A 107 14.539 -3.808 1.629 1.00 41.52 H new ATOM 0 HA3 GLY A 107 14.961 -2.410 0.660 1.00 41.52 H new ATOM 1736 N ARG A 108 14.358 -0.872 3.098 1.00 10.32 N ATOM 1737 CA ARG A 108 14.693 -0.086 4.292 1.00 70.41 C ATOM 1738 C ARG A 108 14.054 -0.715 5.536 1.00 41.45 C ATOM 1739 O ARG A 108 14.568 -0.552 6.637 1.00 33.20 O ATOM 1740 CB ARG A 108 14.238 1.401 4.115 1.00 41.43 C ATOM 1741 CG ARG A 108 15.316 2.370 3.570 1.00 72.03 C ATOM 1742 CD ARG A 108 16.042 1.876 2.300 1.00 61.35 C ATOM 1743 NE ARG A 108 16.918 2.912 1.723 1.00 53.44 N ATOM 1744 CZ ARG A 108 18.152 3.222 2.158 1.00 31.03 C ATOM 1745 NH1 ARG A 108 18.699 2.587 3.200 1.00 12.41 N ATOM 1746 NH2 ARG A 108 18.837 4.161 1.530 1.00 64.52 N ATOM 0 H ARG A 108 13.629 -0.446 2.526 1.00 10.32 H new ATOM 0 HA ARG A 108 15.775 -0.091 4.425 1.00 70.41 H new ATOM 0 HB2 ARG A 108 13.382 1.422 3.441 1.00 41.43 H new ATOM 0 HB3 ARG A 108 13.894 1.774 5.080 1.00 41.43 H new ATOM 0 HG2 ARG A 108 14.847 3.330 3.354 1.00 72.03 H new ATOM 0 HG3 ARG A 108 16.056 2.545 4.351 1.00 72.03 H new ATOM 0 HD2 ARG A 108 16.635 0.994 2.542 1.00 61.35 H new ATOM 0 HD3 ARG A 108 15.305 1.570 1.557 1.00 61.35 H new ATOM 0 HE ARG A 108 16.558 3.438 0.927 1.00 53.44 H new ATOM 0 HH11 ARG A 108 18.179 1.853 3.680 1.00 12.41 H new ATOM 0 HH12 ARG A 108 19.637 2.837 3.515 1.00 12.41 H new ATOM 0 HH21 ARG A 108 18.429 4.640 0.727 1.00 64.52 H new ATOM 0 HH22 ARG A 108 19.774 4.407 1.848 1.00 64.52 H new ATOM 1760 N LEU A 109 12.902 -1.391 5.358 1.00 74.11 N ATOM 1761 CA LEU A 109 12.233 -2.136 6.447 1.00 74.54 C ATOM 1762 C LEU A 109 13.042 -3.391 6.775 1.00 22.32 C ATOM 1763 O LEU A 109 13.144 -3.796 7.935 1.00 23.55 O ATOM 1764 CB LEU A 109 10.769 -2.478 6.071 1.00 41.43 C ATOM 1765 CG LEU A 109 9.904 -3.143 7.191 1.00 61.33 C ATOM 1766 CD1 LEU A 109 9.860 -2.282 8.476 1.00 70.51 C ATOM 1767 CD2 LEU A 109 8.492 -3.434 6.674 1.00 14.12 C ATOM 0 H LEU A 109 12.411 -1.437 4.465 1.00 74.11 H new ATOM 0 HA LEU A 109 12.190 -1.509 7.338 1.00 74.54 H new ATOM 0 HB2 LEU A 109 10.273 -1.560 5.755 1.00 41.43 H new ATOM 0 HB3 LEU A 109 10.784 -3.145 5.209 1.00 41.43 H new ATOM 0 HG LEU A 109 10.378 -4.088 7.458 1.00 61.33 H new ATOM 0 HD11 LEU A 109 9.249 -2.781 9.228 1.00 70.51 H new ATOM 0 HD12 LEU A 109 10.871 -2.150 8.860 1.00 70.51 H new ATOM 0 HD13 LEU A 109 9.429 -1.308 8.246 1.00 70.51 H new ATOM 0 HD21 LEU A 109 7.903 -3.897 7.466 1.00 14.12 H new ATOM 0 HD22 LEU A 109 8.018 -2.502 6.366 1.00 14.12 H new ATOM 0 HD23 LEU A 109 8.549 -4.111 5.821 1.00 14.12 H new ATOM 1779 N SER A 110 13.640 -3.971 5.720 1.00 53.25 N ATOM 1780 CA SER A 110 14.564 -5.090 5.824 1.00 1.22 C ATOM 1781 C SER A 110 15.844 -4.644 6.555 1.00 11.02 C ATOM 1782 O SER A 110 16.349 -5.368 7.422 1.00 40.25 O ATOM 1783 CB SER A 110 14.897 -5.615 4.405 1.00 2.45 C ATOM 1784 OG SER A 110 15.809 -6.702 4.434 1.00 2.24 O ATOM 0 H SER A 110 13.486 -3.663 4.760 1.00 53.25 H new ATOM 0 HA SER A 110 14.104 -5.895 6.397 1.00 1.22 H new ATOM 0 HB2 SER A 110 13.977 -5.928 3.911 1.00 2.45 H new ATOM 0 HB3 SER A 110 15.319 -4.805 3.810 1.00 2.45 H new ATOM 0 HG SER A 110 15.989 -7.002 3.519 1.00 2.24 H new ATOM 1790 N GLY A 111 16.365 -3.431 6.210 1.00 60.11 N ATOM 1791 CA GLY A 111 17.629 -2.967 6.787 1.00 3.54 C ATOM 1792 C GLY A 111 17.487 -2.163 8.080 1.00 33.54 C ATOM 1793 O GLY A 111 17.862 -2.668 9.145 1.00 61.24 O ATOM 0 H GLY A 111 15.931 -2.784 5.552 1.00 60.11 H new ATOM 0 HA2 GLY A 111 18.263 -3.832 6.982 1.00 3.54 H new ATOM 0 HA3 GLY A 111 18.145 -2.353 6.049 1.00 3.54 H new ATOM 1797 N MET A 112 16.911 -0.936 8.023 1.00 35.13 N ATOM 1798 CA MET A 112 16.858 -0.047 9.215 1.00 24.54 C ATOM 1799 C MET A 112 15.502 -0.115 9.963 1.00 24.32 C ATOM 1800 O MET A 112 15.470 -0.630 11.087 1.00 20.02 O ATOM 1801 CB MET A 112 17.215 1.427 8.825 1.00 52.53 C ATOM 1802 CG MET A 112 18.056 2.169 9.885 1.00 72.53 C ATOM 1803 SD MET A 112 17.249 2.329 11.493 1.00 62.53 S ATOM 1804 CE MET A 112 15.868 3.392 11.105 1.00 53.33 C ATOM 0 H MET A 112 16.484 -0.544 7.184 1.00 35.13 H new ATOM 0 HA MET A 112 17.610 -0.416 9.913 1.00 24.54 H new ATOM 0 HB2 MET A 112 17.761 1.421 7.882 1.00 52.53 H new ATOM 0 HB3 MET A 112 16.292 1.981 8.655 1.00 52.53 H new ATOM 0 HG2 MET A 112 19.001 1.642 10.016 1.00 72.53 H new ATOM 0 HG3 MET A 112 18.295 3.164 9.511 1.00 72.53 H new ATOM 0 HE1 MET A 112 15.400 3.732 12.029 1.00 53.33 H new ATOM 0 HE2 MET A 112 16.220 4.254 10.538 1.00 53.33 H new ATOM 0 HE3 MET A 112 15.140 2.840 10.511 1.00 53.33 H new ATOM 1814 N LEU A 113 14.390 0.361 9.305 1.00 5.12 N ATOM 1815 CA LEU A 113 13.004 0.334 9.864 1.00 64.14 C ATOM 1816 C LEU A 113 12.050 1.143 8.947 1.00 31.04 C ATOM 1817 O LEU A 113 11.367 2.062 9.406 1.00 44.43 O ATOM 1818 CB LEU A 113 12.937 0.879 11.346 1.00 11.14 C ATOM 1819 CG LEU A 113 12.052 0.051 12.338 1.00 24.20 C ATOM 1820 CD1 LEU A 113 10.565 0.109 11.968 1.00 44.04 C ATOM 1821 CD2 LEU A 113 12.539 -1.411 12.422 1.00 70.12 C ATOM 0 H LEU A 113 14.438 0.772 8.373 1.00 5.12 H new ATOM 0 HA LEU A 113 12.686 -0.708 9.896 1.00 64.14 H new ATOM 0 HB2 LEU A 113 13.951 0.922 11.743 1.00 11.14 H new ATOM 0 HB3 LEU A 113 12.561 1.902 11.320 1.00 11.14 H new ATOM 0 HG LEU A 113 12.159 0.508 13.322 1.00 24.20 H new ATOM 0 HD11 LEU A 113 9.989 -0.479 12.683 1.00 44.04 H new ATOM 0 HD12 LEU A 113 10.224 1.144 11.992 1.00 44.04 H new ATOM 0 HD13 LEU A 113 10.423 -0.297 10.966 1.00 44.04 H new ATOM 0 HD21 LEU A 113 11.908 -1.965 13.117 1.00 70.12 H new ATOM 0 HD22 LEU A 113 12.482 -1.871 11.435 1.00 70.12 H new ATOM 0 HD23 LEU A 113 13.571 -1.431 12.773 1.00 70.12 H new ATOM 1833 N LEU A 114 12.098 0.839 7.642 1.00 2.23 N ATOM 1834 CA LEU A 114 11.217 1.407 6.568 1.00 32.00 C ATOM 1835 C LEU A 114 11.649 2.831 6.152 1.00 3.22 C ATOM 1836 O LEU A 114 11.465 3.236 4.995 1.00 21.11 O ATOM 1837 CB LEU A 114 9.701 1.296 6.940 1.00 2.31 C ATOM 1838 CG LEU A 114 8.654 1.447 5.772 1.00 33.43 C ATOM 1839 CD1 LEU A 114 7.387 0.621 6.046 1.00 23.10 C ATOM 1840 CD2 LEU A 114 8.272 2.924 5.496 1.00 1.22 C ATOM 0 H LEU A 114 12.771 0.167 7.274 1.00 2.23 H new ATOM 0 HA LEU A 114 11.350 0.792 5.678 1.00 32.00 H new ATOM 0 HB2 LEU A 114 9.540 0.327 7.413 1.00 2.31 H new ATOM 0 HB3 LEU A 114 9.482 2.057 7.689 1.00 2.31 H new ATOM 0 HG LEU A 114 9.144 1.062 4.878 1.00 33.43 H new ATOM 0 HD11 LEU A 114 6.685 0.747 5.222 1.00 23.10 H new ATOM 0 HD12 LEU A 114 7.652 -0.432 6.139 1.00 23.10 H new ATOM 0 HD13 LEU A 114 6.924 0.962 6.972 1.00 23.10 H new ATOM 0 HD21 LEU A 114 7.548 2.967 4.682 1.00 1.22 H new ATOM 0 HD22 LEU A 114 7.835 3.361 6.394 1.00 1.22 H new ATOM 0 HD23 LEU A 114 9.164 3.485 5.218 1.00 1.22 H new