USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=25 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 75 THR OG1 : rot 126:sc= 0.662 USER MOD Set 1.2: A 88 GLN : amide:sc= 0.292 K(o=0.95,f=-2.4) USER MOD Set 2.1: A 73 ASN : amide:sc= 0.983 K(o=1,f=-7!) USER MOD Set 2.2: A 92 SER OG : rot -89:sc= 0.0143 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.625 K(o=-0.62,f=-1.8!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc=-0.00622 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0226 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 22 LYS NZ :NH3+ -122:sc=-0.00866 (180deg=-0.108) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.165 K(o=-0.16,f=-1.1!) USER MOD Single : A 40 HIS : no HE2:sc= -1.65! C(o=-1.6!,f=-4.6!) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 150:sc= 0.111 USER MOD Single : A 47 SER OG : rot 118:sc= 1.05 USER MOD Single : A 51 SER OG : rot -51:sc= 0.0297 USER MOD Single : A 64 GLN : amide:sc= -0.394 X(o=-0.39,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 71 MET CE :methyl -131:sc= 0 (180deg=-1.85) USER MOD Single : A 77 MET CE :methyl -161:sc= -3.38 (180deg=-4.12!) USER MOD Single : A 82 HIS :FLIP no HD1:sc= -0.639 F(o=-1.9!,f=-0.64) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.36) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -165:sc= -0.03 (180deg=-0.279) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -144:sc=-0.00664 (180deg=-0.747) USER MOD Single : A 107 GLN : amide:sc= -2.48 K(o=-2.5,f=-3.8!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 63:sc= 0.122 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.051 -22.323 -26.648 1.00 0.00 N ATOM 2 CA GLY A 1 -25.366 -22.880 -25.496 1.00 0.00 C ATOM 3 C GLY A 1 -26.003 -22.464 -24.185 1.00 0.00 C ATOM 4 O GLY A 1 -27.227 -22.450 -24.059 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.577 -22.637 -27.519 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.039 -22.648 -26.655 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.028 -21.285 -26.597 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.367 -23.968 -25.568 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.324 -22.561 -25.507 1.00 0.00 H new ATOM 8 N SER A 2 -25.170 -22.124 -23.207 1.00 0.00 N ATOM 9 CA SER A 2 -25.659 -21.710 -21.896 1.00 0.00 C ATOM 10 C SER A 2 -24.958 -20.437 -21.432 1.00 0.00 C ATOM 11 O SER A 2 -23.766 -20.248 -21.675 1.00 0.00 O ATOM 12 CB SER A 2 -25.444 -22.827 -20.873 1.00 0.00 C ATOM 13 OG SER A 2 -26.528 -23.739 -20.878 1.00 0.00 O ATOM 0 H SER A 2 -24.154 -22.127 -23.297 1.00 0.00 H new ATOM 0 HA SER A 2 -26.726 -21.505 -21.981 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.518 -23.357 -21.098 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.332 -22.396 -19.878 1.00 0.00 H new ATOM 0 HG SER A 2 -26.365 -24.444 -20.217 1.00 0.00 H new ATOM 19 N SER A 3 -25.707 -19.567 -20.763 1.00 0.00 N ATOM 20 CA SER A 3 -25.159 -18.310 -20.267 1.00 0.00 C ATOM 21 C SER A 3 -24.503 -18.503 -18.904 1.00 0.00 C ATOM 22 O SER A 3 -25.110 -19.044 -17.981 1.00 0.00 O ATOM 23 CB SER A 3 -26.261 -17.252 -20.171 1.00 0.00 C ATOM 24 OG SER A 3 -25.731 -15.998 -19.779 1.00 0.00 O ATOM 0 H SER A 3 -26.695 -19.709 -20.552 1.00 0.00 H new ATOM 0 HA SER A 3 -24.399 -17.970 -20.971 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.760 -17.154 -21.135 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.015 -17.572 -19.452 1.00 0.00 H new ATOM 0 HG SER A 3 -26.454 -15.339 -19.727 1.00 0.00 H new ATOM 30 N GLY A 4 -23.257 -18.055 -18.785 1.00 0.00 N ATOM 31 CA GLY A 4 -22.537 -18.188 -17.532 1.00 0.00 C ATOM 32 C GLY A 4 -21.428 -17.164 -17.389 1.00 0.00 C ATOM 33 O GLY A 4 -20.253 -17.521 -17.295 1.00 0.00 O ATOM 0 H GLY A 4 -22.733 -17.602 -19.534 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.235 -18.081 -16.702 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.113 -19.190 -17.465 1.00 0.00 H new ATOM 37 N SER A 5 -21.800 -15.888 -17.375 1.00 0.00 N ATOM 38 CA SER A 5 -20.827 -14.809 -17.249 1.00 0.00 C ATOM 39 C SER A 5 -20.445 -14.591 -15.788 1.00 0.00 C ATOM 40 O SER A 5 -19.308 -14.843 -15.388 1.00 0.00 O ATOM 41 CB SER A 5 -21.390 -13.515 -17.839 1.00 0.00 C ATOM 42 OG SER A 5 -20.413 -12.489 -17.842 1.00 0.00 O ATOM 0 H SER A 5 -22.768 -15.576 -17.449 1.00 0.00 H new ATOM 0 HA SER A 5 -19.932 -15.093 -17.803 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.735 -13.696 -18.857 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.257 -13.195 -17.261 1.00 0.00 H new ATOM 0 HG SER A 5 -20.797 -11.673 -18.225 1.00 0.00 H new ATOM 48 N SER A 6 -21.403 -14.121 -14.996 1.00 0.00 N ATOM 49 CA SER A 6 -21.167 -13.865 -13.580 1.00 0.00 C ATOM 50 C SER A 6 -20.874 -15.163 -12.834 1.00 0.00 C ATOM 51 O SER A 6 -21.752 -16.009 -12.669 1.00 0.00 O ATOM 52 CB SER A 6 -22.378 -13.168 -12.957 1.00 0.00 C ATOM 53 OG SER A 6 -22.466 -11.820 -13.385 1.00 0.00 O ATOM 0 H SER A 6 -22.350 -13.910 -15.311 1.00 0.00 H new ATOM 0 HA SER A 6 -20.298 -13.213 -13.495 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.289 -13.700 -13.231 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.303 -13.204 -11.870 1.00 0.00 H new ATOM 0 HG SER A 6 -23.249 -11.397 -12.974 1.00 0.00 H new ATOM 59 N GLY A 7 -19.632 -15.314 -12.385 1.00 0.00 N ATOM 60 CA GLY A 7 -19.244 -16.511 -11.662 1.00 0.00 C ATOM 61 C GLY A 7 -18.305 -16.214 -10.510 1.00 0.00 C ATOM 62 O GLY A 7 -18.739 -16.079 -9.366 1.00 0.00 O ATOM 0 H GLY A 7 -18.887 -14.628 -12.509 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.137 -17.007 -11.280 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.762 -17.207 -12.349 1.00 0.00 H new ATOM 66 N MET A 8 -17.014 -16.114 -10.811 1.00 0.00 N ATOM 67 CA MET A 8 -16.012 -15.831 -9.790 1.00 0.00 C ATOM 68 C MET A 8 -15.710 -14.338 -9.723 1.00 0.00 C ATOM 69 O MET A 8 -15.845 -13.624 -10.716 1.00 0.00 O ATOM 70 CB MET A 8 -14.727 -16.611 -10.077 1.00 0.00 C ATOM 71 CG MET A 8 -13.732 -16.585 -8.928 1.00 0.00 C ATOM 72 SD MET A 8 -12.165 -17.372 -9.350 1.00 0.00 S ATOM 73 CE MET A 8 -11.079 -16.639 -8.129 1.00 0.00 C ATOM 0 H MET A 8 -16.638 -16.225 -11.753 1.00 0.00 H new ATOM 0 HA MET A 8 -16.412 -16.146 -8.826 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.983 -17.646 -10.302 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.252 -16.199 -10.967 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.548 -15.551 -8.635 1.00 0.00 H new ATOM 0 HG3 MET A 8 -14.166 -17.089 -8.064 1.00 0.00 H new ATOM 0 HE1 MET A 8 -10.069 -17.027 -8.260 1.00 0.00 H new ATOM 0 HE2 MET A 8 -11.070 -15.556 -8.253 1.00 0.00 H new ATOM 0 HE3 MET A 8 -11.436 -16.887 -7.129 1.00 0.00 H new ATOM 83 N GLU A 9 -15.302 -13.873 -8.546 1.00 0.00 N ATOM 84 CA GLU A 9 -14.982 -12.464 -8.351 1.00 0.00 C ATOM 85 C GLU A 9 -13.477 -12.230 -8.440 1.00 0.00 C ATOM 86 O GLU A 9 -12.688 -13.172 -8.378 1.00 0.00 O ATOM 87 CB GLU A 9 -15.505 -11.982 -6.997 1.00 0.00 C ATOM 88 CG GLU A 9 -16.948 -11.505 -7.035 1.00 0.00 C ATOM 89 CD GLU A 9 -17.079 -10.083 -7.544 1.00 0.00 C ATOM 90 OE1 GLU A 9 -16.578 -9.801 -8.653 1.00 0.00 O ATOM 91 OE2 GLU A 9 -17.681 -9.251 -6.833 1.00 0.00 O ATOM 0 H GLU A 9 -15.185 -14.451 -7.714 1.00 0.00 H new ATOM 0 HA GLU A 9 -15.468 -11.895 -9.143 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -15.419 -12.793 -6.274 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.872 -11.169 -6.641 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -17.530 -12.170 -7.673 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -17.375 -11.569 -6.034 1.00 0.00 H new ATOM 98 N GLU A 10 -13.088 -10.967 -8.586 1.00 0.00 N ATOM 99 CA GLU A 10 -11.678 -10.609 -8.685 1.00 0.00 C ATOM 100 C GLU A 10 -11.405 -9.276 -7.994 1.00 0.00 C ATOM 101 O GLU A 10 -12.329 -8.586 -7.565 1.00 0.00 O ATOM 102 CB GLU A 10 -11.250 -10.533 -10.152 1.00 0.00 C ATOM 103 CG GLU A 10 -11.062 -11.893 -10.802 1.00 0.00 C ATOM 104 CD GLU A 10 -12.335 -12.416 -11.439 1.00 0.00 C ATOM 105 OE1 GLU A 10 -12.763 -11.845 -12.465 1.00 0.00 O ATOM 106 OE2 GLU A 10 -12.904 -13.394 -10.912 1.00 0.00 O ATOM 0 H GLU A 10 -13.729 -10.175 -8.638 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.097 -11.383 -8.184 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.999 -9.973 -10.712 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.317 -9.974 -10.221 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.282 -11.824 -11.561 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.716 -12.605 -10.053 1.00 0.00 H new ATOM 113 N VAL A 11 -10.128 -8.922 -7.888 1.00 0.00 N ATOM 114 CA VAL A 11 -9.731 -7.672 -7.250 1.00 0.00 C ATOM 115 C VAL A 11 -8.497 -7.080 -7.921 1.00 0.00 C ATOM 116 O VAL A 11 -7.586 -7.806 -8.318 1.00 0.00 O ATOM 117 CB VAL A 11 -9.441 -7.875 -5.752 1.00 0.00 C ATOM 118 CG1 VAL A 11 -8.285 -8.845 -5.558 1.00 0.00 C ATOM 119 CG2 VAL A 11 -9.146 -6.541 -5.081 1.00 0.00 C ATOM 0 H VAL A 11 -9.351 -9.483 -8.236 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.566 -6.981 -7.360 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.327 -8.304 -5.283 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.095 -8.976 -4.493 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.539 -9.807 -6.002 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.392 -8.448 -6.040 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.943 -6.703 -4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.276 -6.082 -5.551 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.007 -5.881 -5.189 1.00 0.00 H new ATOM 129 N ILE A 12 -8.474 -5.757 -8.043 1.00 0.00 N ATOM 130 CA ILE A 12 -7.351 -5.067 -8.665 1.00 0.00 C ATOM 131 C ILE A 12 -6.522 -4.319 -7.625 1.00 0.00 C ATOM 132 O ILE A 12 -6.923 -3.260 -7.143 1.00 0.00 O ATOM 133 CB ILE A 12 -7.826 -4.072 -9.739 1.00 0.00 C ATOM 134 CG1 ILE A 12 -8.855 -4.733 -10.659 1.00 0.00 C ATOM 135 CG2 ILE A 12 -6.642 -3.556 -10.544 1.00 0.00 C ATOM 136 CD1 ILE A 12 -9.501 -3.772 -11.632 1.00 0.00 C ATOM 0 H ILE A 12 -9.220 -5.142 -7.719 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.734 -5.831 -9.138 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.301 -3.225 -9.244 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.369 -5.532 -11.219 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.631 -5.196 -10.049 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.994 -2.854 -11.299 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.941 -3.052 -9.878 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.141 -4.392 -11.032 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.219 -4.309 -12.252 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.016 -2.986 -11.079 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.735 -3.327 -12.267 1.00 0.00 H new ATOM 148 N TRP A 13 -5.365 -4.877 -7.287 1.00 0.00 N ATOM 149 CA TRP A 13 -4.479 -4.261 -6.306 1.00 0.00 C ATOM 150 C TRP A 13 -3.688 -3.117 -6.929 1.00 0.00 C ATOM 151 O TRP A 13 -2.765 -3.343 -7.711 1.00 0.00 O ATOM 152 CB TRP A 13 -3.521 -5.304 -5.728 1.00 0.00 C ATOM 153 CG TRP A 13 -4.200 -6.316 -4.855 1.00 0.00 C ATOM 154 CD1 TRP A 13 -4.981 -7.359 -5.265 1.00 0.00 C ATOM 155 CD2 TRP A 13 -4.160 -6.379 -3.426 1.00 0.00 C ATOM 156 NE1 TRP A 13 -5.429 -8.066 -4.175 1.00 0.00 N ATOM 157 CE2 TRP A 13 -4.939 -7.486 -3.035 1.00 0.00 C ATOM 158 CE3 TRP A 13 -3.540 -5.609 -2.437 1.00 0.00 C ATOM 159 CZ2 TRP A 13 -5.113 -7.839 -1.700 1.00 0.00 C ATOM 160 CZ3 TRP A 13 -3.715 -5.961 -1.112 1.00 0.00 C ATOM 161 CH2 TRP A 13 -4.496 -7.068 -0.753 1.00 0.00 C ATOM 0 H TRP A 13 -5.019 -5.754 -7.677 1.00 0.00 H new ATOM 0 HA TRP A 13 -5.094 -3.857 -5.502 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -3.020 -5.820 -6.547 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -2.748 -4.797 -5.150 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -5.212 -7.593 -6.294 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -6.030 -8.890 -4.209 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.935 -4.755 -2.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -5.714 -8.692 -1.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -3.242 -5.373 -0.340 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -4.613 -7.317 0.291 1.00 0.00 H new ATOM 172 N GLU A 14 -4.055 -1.888 -6.578 1.00 0.00 N ATOM 173 CA GLU A 14 -3.379 -0.709 -7.105 1.00 0.00 C ATOM 174 C GLU A 14 -2.342 -0.188 -6.114 1.00 0.00 C ATOM 175 O GLU A 14 -2.514 -0.308 -4.901 1.00 0.00 O ATOM 176 CB GLU A 14 -4.395 0.390 -7.423 1.00 0.00 C ATOM 177 CG GLU A 14 -5.458 -0.035 -8.422 1.00 0.00 C ATOM 178 CD GLU A 14 -5.070 0.278 -9.855 1.00 0.00 C ATOM 179 OE1 GLU A 14 -4.034 -0.245 -10.316 1.00 0.00 O ATOM 180 OE2 GLU A 14 -5.802 1.046 -10.514 1.00 0.00 O ATOM 0 H GLU A 14 -4.817 -1.684 -5.931 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.866 -0.996 -8.023 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.881 0.702 -6.499 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.867 1.259 -7.815 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.637 -1.106 -8.323 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.396 0.468 -8.185 1.00 0.00 H new ATOM 187 N GLN A 15 -1.267 0.391 -6.639 1.00 0.00 N ATOM 188 CA GLN A 15 -0.203 0.929 -5.801 1.00 0.00 C ATOM 189 C GLN A 15 -0.417 2.416 -5.537 1.00 0.00 C ATOM 190 O GLN A 15 -0.669 3.190 -6.461 1.00 0.00 O ATOM 191 CB GLN A 15 1.158 0.707 -6.463 1.00 0.00 C ATOM 192 CG GLN A 15 1.830 -0.593 -6.051 1.00 0.00 C ATOM 193 CD GLN A 15 2.841 -1.076 -7.072 1.00 0.00 C ATOM 194 OE1 GLN A 15 2.746 -0.754 -8.257 1.00 0.00 O ATOM 195 NE2 GLN A 15 3.816 -1.854 -6.618 1.00 0.00 N ATOM 0 H GLN A 15 -1.110 0.499 -7.641 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.225 0.403 -4.847 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.032 0.714 -7.546 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.814 1.541 -6.214 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.327 -0.452 -5.091 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.070 -1.361 -5.907 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.856 -2.096 -5.628 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.525 -2.210 -7.259 1.00 0.00 H new ATOM 204 N TYR A 16 -0.316 2.808 -4.272 1.00 0.00 N ATOM 205 CA TYR A 16 -0.501 4.202 -3.886 1.00 0.00 C ATOM 206 C TYR A 16 0.788 4.786 -3.318 1.00 0.00 C ATOM 207 O TYR A 16 1.234 4.403 -2.235 1.00 0.00 O ATOM 208 CB TYR A 16 -1.627 4.323 -2.858 1.00 0.00 C ATOM 209 CG TYR A 16 -2.962 3.819 -3.358 1.00 0.00 C ATOM 210 CD1 TYR A 16 -3.161 2.471 -3.628 1.00 0.00 C ATOM 211 CD2 TYR A 16 -4.023 4.692 -3.563 1.00 0.00 C ATOM 212 CE1 TYR A 16 -4.378 2.006 -4.086 1.00 0.00 C ATOM 213 CE2 TYR A 16 -5.245 4.236 -4.020 1.00 0.00 C ATOM 214 CZ TYR A 16 -5.417 2.892 -4.280 1.00 0.00 C ATOM 215 OH TYR A 16 -6.632 2.434 -4.736 1.00 0.00 O ATOM 0 H TYR A 16 -0.107 2.180 -3.496 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.771 4.767 -4.778 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.351 3.767 -1.962 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.729 5.368 -2.565 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.350 1.774 -3.477 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.891 5.745 -3.362 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.515 0.955 -4.291 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.060 4.928 -4.173 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.255 3.186 -4.817 1.00 0.00 H new ATOM 225 N THR A 17 1.384 5.718 -4.055 1.00 0.00 N ATOM 226 CA THR A 17 2.622 6.356 -3.626 1.00 0.00 C ATOM 227 C THR A 17 2.350 7.719 -3.000 1.00 0.00 C ATOM 228 O THR A 17 2.186 8.715 -3.705 1.00 0.00 O ATOM 229 CB THR A 17 3.601 6.530 -4.803 1.00 0.00 C ATOM 230 OG1 THR A 17 3.812 5.273 -5.455 1.00 0.00 O ATOM 231 CG2 THR A 17 4.933 7.086 -4.321 1.00 0.00 C ATOM 0 H THR A 17 1.029 6.048 -4.952 1.00 0.00 H new ATOM 0 HA THR A 17 3.074 5.701 -2.881 1.00 0.00 H new ATOM 0 HB THR A 17 3.164 7.236 -5.509 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.434 5.393 -6.203 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.608 7.200 -5.169 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.773 8.056 -3.851 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.373 6.400 -3.597 1.00 0.00 H new ATOM 239 N VAL A 18 2.305 7.757 -1.672 1.00 0.00 N ATOM 240 CA VAL A 18 2.055 8.999 -0.951 1.00 0.00 C ATOM 241 C VAL A 18 3.221 9.345 -0.032 1.00 0.00 C ATOM 242 O VAL A 18 3.852 8.461 0.549 1.00 0.00 O ATOM 243 CB VAL A 18 0.764 8.912 -0.115 1.00 0.00 C ATOM 244 CG1 VAL A 18 -0.454 9.190 -0.982 1.00 0.00 C ATOM 245 CG2 VAL A 18 0.654 7.550 0.553 1.00 0.00 C ATOM 0 H VAL A 18 2.438 6.942 -1.074 1.00 0.00 H new ATOM 0 HA VAL A 18 1.942 9.783 -1.700 1.00 0.00 H new ATOM 0 HB VAL A 18 0.805 9.672 0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.356 9.124 -0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.376 10.190 -1.409 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.504 8.455 -1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.264 7.506 1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.635 6.771 -0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.511 7.396 1.208 1.00 0.00 H new ATOM 255 N THR A 19 3.502 10.638 0.097 1.00 0.00 N ATOM 256 CA THR A 19 4.593 11.102 0.945 1.00 0.00 C ATOM 257 C THR A 19 4.078 11.542 2.310 1.00 0.00 C ATOM 258 O THR A 19 3.097 12.281 2.407 1.00 0.00 O ATOM 259 CB THR A 19 5.352 12.273 0.293 1.00 0.00 C ATOM 260 OG1 THR A 19 4.489 12.974 -0.610 1.00 0.00 O ATOM 261 CG2 THR A 19 6.579 11.774 -0.455 1.00 0.00 C ATOM 0 H THR A 19 2.989 11.382 -0.375 1.00 0.00 H new ATOM 0 HA THR A 19 5.276 10.262 1.071 1.00 0.00 H new ATOM 0 HB THR A 19 5.678 12.950 1.083 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.978 13.718 -1.019 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.098 12.619 -0.907 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.248 11.267 0.240 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.271 11.078 -1.235 1.00 0.00 H new ATOM 269 N LEU A 20 4.746 11.085 3.364 1.00 0.00 N ATOM 270 CA LEU A 20 4.356 11.432 4.726 1.00 0.00 C ATOM 271 C LEU A 20 5.404 12.327 5.381 1.00 0.00 C ATOM 272 O LEU A 20 6.575 12.303 5.005 1.00 0.00 O ATOM 273 CB LEU A 20 4.157 10.165 5.560 1.00 0.00 C ATOM 274 CG LEU A 20 3.366 9.040 4.892 1.00 0.00 C ATOM 275 CD1 LEU A 20 3.811 7.686 5.424 1.00 0.00 C ATOM 276 CD2 LEU A 20 1.873 9.236 5.110 1.00 0.00 C ATOM 0 H LEU A 20 5.560 10.474 3.301 1.00 0.00 H new ATOM 0 HA LEU A 20 3.415 11.980 4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.138 9.778 5.836 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.650 10.439 6.485 1.00 0.00 H new ATOM 0 HG LEU A 20 3.563 9.069 3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.237 6.897 4.937 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.872 7.544 5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.644 7.645 6.500 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.325 8.426 4.628 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.658 9.234 6.179 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.565 10.189 4.680 1.00 0.00 H new ATOM 288 N GLN A 21 4.974 13.112 6.364 1.00 0.00 N ATOM 289 CA GLN A 21 5.876 14.012 7.072 1.00 0.00 C ATOM 290 C GLN A 21 6.087 13.551 8.510 1.00 0.00 C ATOM 291 O GLN A 21 5.139 13.171 9.197 1.00 0.00 O ATOM 292 CB GLN A 21 5.323 15.438 7.056 1.00 0.00 C ATOM 293 CG GLN A 21 5.014 15.956 5.661 1.00 0.00 C ATOM 294 CD GLN A 21 4.426 17.353 5.674 1.00 0.00 C ATOM 295 OE1 GLN A 21 4.167 17.920 6.735 1.00 0.00 O ATOM 296 NE2 GLN A 21 4.211 17.916 4.490 1.00 0.00 N ATOM 0 H GLN A 21 4.007 13.143 6.688 1.00 0.00 H new ATOM 0 HA GLN A 21 6.839 13.998 6.561 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.414 15.473 7.657 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.044 16.104 7.530 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.928 15.956 5.067 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.316 15.277 5.172 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.441 17.409 3.635 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.816 18.855 4.436 1.00 0.00 H new ATOM 305 N LYS A 22 7.337 13.588 8.961 1.00 0.00 N ATOM 306 CA LYS A 22 7.673 13.175 10.318 1.00 0.00 C ATOM 307 C LYS A 22 7.125 14.166 11.340 1.00 0.00 C ATOM 308 O LYS A 22 7.813 15.107 11.737 1.00 0.00 O ATOM 309 CB LYS A 22 9.191 13.052 10.474 1.00 0.00 C ATOM 310 CG LYS A 22 9.616 11.977 11.459 1.00 0.00 C ATOM 311 CD LYS A 22 10.979 11.406 11.107 1.00 0.00 C ATOM 312 CE LYS A 22 11.093 9.945 11.514 1.00 0.00 C ATOM 313 NZ LYS A 22 12.491 9.574 11.867 1.00 0.00 N ATOM 0 H LYS A 22 8.134 13.900 8.406 1.00 0.00 H new ATOM 0 HA LYS A 22 7.215 12.203 10.499 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.631 12.836 9.501 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.593 14.011 10.800 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.644 12.395 12.465 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.876 11.177 11.467 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.148 11.500 10.034 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.757 11.985 11.605 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.441 9.754 12.366 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.745 9.313 10.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.807 8.792 11.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.114 10.395 11.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.530 9.275 12.862 1.00 0.00 H new ATOM 327 N ASP A 23 5.885 13.947 11.763 1.00 0.00 N ATOM 328 CA ASP A 23 5.246 14.820 12.741 1.00 0.00 C ATOM 329 C ASP A 23 6.154 15.042 13.946 1.00 0.00 C ATOM 330 O ASP A 23 7.272 14.531 13.996 1.00 0.00 O ATOM 331 CB ASP A 23 3.912 14.223 13.194 1.00 0.00 C ATOM 332 CG ASP A 23 2.945 15.278 13.692 1.00 0.00 C ATOM 333 OD1 ASP A 23 3.045 16.437 13.237 1.00 0.00 O ATOM 334 OD2 ASP A 23 2.088 14.946 14.538 1.00 0.00 O ATOM 0 H ASP A 23 5.302 13.173 11.444 1.00 0.00 H new ATOM 0 HA ASP A 23 5.061 15.784 12.266 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.459 13.682 12.363 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.093 13.497 13.987 1.00 0.00 H new ATOM 339 N SER A 24 5.665 15.809 14.916 1.00 0.00 N ATOM 340 CA SER A 24 6.434 16.103 16.119 1.00 0.00 C ATOM 341 C SER A 24 7.189 14.867 16.597 1.00 0.00 C ATOM 342 O SER A 24 8.400 14.752 16.408 1.00 0.00 O ATOM 343 CB SER A 24 5.511 16.612 17.228 1.00 0.00 C ATOM 344 OG SER A 24 4.921 17.850 16.873 1.00 0.00 O ATOM 0 H SER A 24 4.740 16.238 14.892 1.00 0.00 H new ATOM 0 HA SER A 24 7.160 16.879 15.876 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.731 15.876 17.422 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.077 16.727 18.152 1.00 0.00 H new ATOM 0 HG SER A 24 4.335 18.153 17.598 1.00 0.00 H new ATOM 350 N LYS A 25 6.464 13.942 17.218 1.00 0.00 N ATOM 351 CA LYS A 25 7.062 12.712 17.723 1.00 0.00 C ATOM 352 C LYS A 25 6.576 11.504 16.929 1.00 0.00 C ATOM 353 O LYS A 25 7.376 10.761 16.360 1.00 0.00 O ATOM 354 CB LYS A 25 6.727 12.529 19.205 1.00 0.00 C ATOM 355 CG LYS A 25 7.639 13.311 20.136 1.00 0.00 C ATOM 356 CD LYS A 25 8.887 12.520 20.488 1.00 0.00 C ATOM 357 CE LYS A 25 9.777 13.285 21.456 1.00 0.00 C ATOM 358 NZ LYS A 25 11.116 12.650 21.598 1.00 0.00 N ATOM 0 H LYS A 25 5.461 14.021 17.384 1.00 0.00 H new ATOM 0 HA LYS A 25 8.143 12.790 17.607 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.696 12.837 19.377 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.789 11.470 19.455 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.924 14.251 19.663 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.099 13.564 21.048 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.601 11.566 20.931 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.445 12.295 19.579 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.897 14.310 21.106 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.294 13.335 22.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.692 13.201 22.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.004 11.680 21.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.588 12.625 20.672 1.00 0.00 H new ATOM 372 N ARG A 26 5.261 11.315 16.893 1.00 0.00 N ATOM 373 CA ARG A 26 4.669 10.198 16.168 1.00 0.00 C ATOM 374 C ARG A 26 5.348 10.007 14.814 1.00 0.00 C ATOM 375 O ARG A 26 5.345 8.911 14.255 1.00 0.00 O ATOM 376 CB ARG A 26 3.170 10.427 15.970 1.00 0.00 C ATOM 377 CG ARG A 26 2.391 10.517 17.272 1.00 0.00 C ATOM 378 CD ARG A 26 2.082 9.138 17.833 1.00 0.00 C ATOM 379 NE ARG A 26 1.512 8.251 16.822 1.00 0.00 N ATOM 380 CZ ARG A 26 1.374 6.940 16.987 1.00 0.00 C ATOM 381 NH1 ARG A 26 1.762 6.367 18.119 1.00 0.00 N ATOM 382 NH2 ARG A 26 0.847 6.200 16.021 1.00 0.00 N ATOM 0 H ARG A 26 4.585 11.922 17.358 1.00 0.00 H new ATOM 0 HA ARG A 26 4.817 9.295 16.760 1.00 0.00 H new ATOM 0 HB2 ARG A 26 3.023 11.347 15.404 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.763 9.614 15.368 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.965 11.088 18.002 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.461 11.059 17.104 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.995 8.695 18.230 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.385 9.233 18.666 1.00 0.00 H new ATOM 0 HE ARG A 26 1.203 8.661 15.941 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.167 6.933 18.864 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.655 5.360 18.244 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.547 6.637 15.150 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.742 5.194 16.149 1.00 0.00 H new ATOM 396 N GLY A 27 5.931 11.083 14.293 1.00 0.00 N ATOM 397 CA GLY A 27 6.605 11.014 13.010 1.00 0.00 C ATOM 398 C GLY A 27 5.643 10.782 11.862 1.00 0.00 C ATOM 399 O GLY A 27 4.699 11.549 11.669 1.00 0.00 O ATOM 0 H GLY A 27 5.948 12.001 14.737 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.152 11.941 12.840 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.340 10.210 13.032 1.00 0.00 H new ATOM 403 N PHE A 28 5.883 9.723 11.095 1.00 0.00 N ATOM 404 CA PHE A 28 5.032 9.394 9.958 1.00 0.00 C ATOM 405 C PHE A 28 3.684 8.854 10.425 1.00 0.00 C ATOM 406 O PHE A 28 2.833 8.491 9.614 1.00 0.00 O ATOM 407 CB PHE A 28 5.722 8.367 9.058 1.00 0.00 C ATOM 408 CG PHE A 28 7.089 8.792 8.603 1.00 0.00 C ATOM 409 CD1 PHE A 28 7.257 9.946 7.855 1.00 0.00 C ATOM 410 CD2 PHE A 28 8.205 8.036 8.922 1.00 0.00 C ATOM 411 CE1 PHE A 28 8.514 10.338 7.435 1.00 0.00 C ATOM 412 CE2 PHE A 28 9.465 8.423 8.505 1.00 0.00 C ATOM 413 CZ PHE A 28 9.619 9.577 7.761 1.00 0.00 C ATOM 0 H PHE A 28 6.660 9.078 11.241 1.00 0.00 H new ATOM 0 HA PHE A 28 4.859 10.308 9.389 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.804 7.422 9.595 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.097 8.184 8.184 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.397 10.546 7.597 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.089 7.133 9.504 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.632 11.239 6.852 1.00 0.00 H new ATOM 0 HE2 PHE A 28 10.327 7.825 8.760 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.602 9.883 7.435 1.00 0.00 H new ATOM 423 N GLY A 29 3.498 8.801 11.741 1.00 0.00 N ATOM 424 CA GLY A 29 2.252 8.303 12.295 1.00 0.00 C ATOM 425 C GLY A 29 1.795 7.020 11.630 1.00 0.00 C ATOM 426 O GLY A 29 0.695 6.955 11.081 1.00 0.00 O ATOM 0 H GLY A 29 4.188 9.094 12.433 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.376 8.130 13.364 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.478 9.063 12.183 1.00 0.00 H new ATOM 430 N ILE A 30 2.641 5.996 11.679 1.00 0.00 N ATOM 431 CA ILE A 30 2.317 4.709 11.077 1.00 0.00 C ATOM 432 C ILE A 30 3.090 3.578 11.748 1.00 0.00 C ATOM 433 O ILE A 30 4.242 3.749 12.143 1.00 0.00 O ATOM 434 CB ILE A 30 2.625 4.700 9.567 1.00 0.00 C ATOM 435 CG1 ILE A 30 3.954 5.406 9.292 1.00 0.00 C ATOM 436 CG2 ILE A 30 1.496 5.364 8.793 1.00 0.00 C ATOM 437 CD1 ILE A 30 4.678 4.877 8.073 1.00 0.00 C ATOM 0 H ILE A 30 3.555 6.033 12.129 1.00 0.00 H new ATOM 0 HA ILE A 30 1.248 4.553 11.223 1.00 0.00 H new ATOM 0 HB ILE A 30 2.709 3.666 9.234 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.769 6.472 9.161 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.600 5.299 10.163 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.728 5.350 7.728 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.567 4.823 8.969 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.384 6.396 9.127 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.612 5.423 7.939 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.894 3.817 8.209 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.051 5.009 7.191 1.00 0.00 H new ATOM 449 N ALA A 31 2.447 2.422 11.871 1.00 0.00 N ATOM 450 CA ALA A 31 3.074 1.261 12.490 1.00 0.00 C ATOM 451 C ALA A 31 2.935 0.025 11.608 1.00 0.00 C ATOM 452 O ALA A 31 1.852 -0.271 11.103 1.00 0.00 O ATOM 453 CB ALA A 31 2.469 1.003 13.862 1.00 0.00 C ATOM 0 H ALA A 31 1.492 2.264 11.550 1.00 0.00 H new ATOM 0 HA ALA A 31 4.137 1.473 12.607 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.947 0.133 14.313 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.626 1.874 14.499 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.400 0.817 13.759 1.00 0.00 H new ATOM 459 N VAL A 32 4.038 -0.693 11.425 1.00 0.00 N ATOM 460 CA VAL A 32 4.039 -1.897 10.603 1.00 0.00 C ATOM 461 C VAL A 32 4.119 -3.152 11.467 1.00 0.00 C ATOM 462 O VAL A 32 4.854 -3.193 12.453 1.00 0.00 O ATOM 463 CB VAL A 32 5.215 -1.897 9.608 1.00 0.00 C ATOM 464 CG1 VAL A 32 5.044 -0.789 8.580 1.00 0.00 C ATOM 465 CG2 VAL A 32 6.537 -1.752 10.346 1.00 0.00 C ATOM 0 H VAL A 32 4.943 -0.462 11.835 1.00 0.00 H new ATOM 0 HA VAL A 32 3.102 -1.901 10.046 1.00 0.00 H new ATOM 0 HB VAL A 32 5.223 -2.851 9.081 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.884 -0.804 7.885 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.116 -0.943 8.030 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.010 0.175 9.087 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.357 -1.754 9.628 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.543 -0.814 10.901 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.660 -2.584 11.039 1.00 0.00 H new ATOM 475 N SER A 33 3.357 -4.173 11.088 1.00 0.00 N ATOM 476 CA SER A 33 3.338 -5.428 11.830 1.00 0.00 C ATOM 477 C SER A 33 3.641 -6.607 10.910 1.00 0.00 C ATOM 478 O SER A 33 3.445 -6.530 9.698 1.00 0.00 O ATOM 479 CB SER A 33 1.979 -5.628 12.502 1.00 0.00 C ATOM 480 OG SER A 33 2.104 -6.390 13.690 1.00 0.00 O ATOM 0 H SER A 33 2.745 -4.156 10.272 1.00 0.00 H new ATOM 0 HA SER A 33 4.111 -5.379 12.597 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.538 -4.658 12.733 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.300 -6.131 11.813 1.00 0.00 H new ATOM 0 HG SER A 33 1.222 -6.502 14.101 1.00 0.00 H new ATOM 486 N GLY A 34 4.123 -7.699 11.497 1.00 0.00 N ATOM 487 CA GLY A 34 4.446 -8.879 10.716 1.00 0.00 C ATOM 488 C GLY A 34 5.940 -9.074 10.551 1.00 0.00 C ATOM 489 O GLY A 34 6.728 -8.620 11.380 1.00 0.00 O ATOM 0 H GLY A 34 4.295 -7.787 12.498 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.019 -9.758 11.198 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.982 -8.798 9.733 1.00 0.00 H new ATOM 493 N GLY A 35 6.332 -9.752 9.477 1.00 0.00 N ATOM 494 CA GLY A 35 7.740 -9.995 9.226 1.00 0.00 C ATOM 495 C GLY A 35 7.979 -11.277 8.453 1.00 0.00 C ATOM 496 O GLY A 35 7.211 -12.232 8.569 1.00 0.00 O ATOM 0 H GLY A 35 5.699 -10.137 8.776 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.157 -9.156 8.669 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.272 -10.043 10.176 1.00 0.00 H new ATOM 500 N ARG A 36 9.045 -11.298 7.660 1.00 0.00 N ATOM 501 CA ARG A 36 9.381 -12.471 6.862 1.00 0.00 C ATOM 502 C ARG A 36 9.709 -13.662 7.757 1.00 0.00 C ATOM 503 O ARG A 36 9.850 -14.789 7.282 1.00 0.00 O ATOM 504 CB ARG A 36 10.566 -12.168 5.943 1.00 0.00 C ATOM 505 CG ARG A 36 11.896 -12.082 6.674 1.00 0.00 C ATOM 506 CD ARG A 36 12.571 -13.442 6.765 1.00 0.00 C ATOM 507 NE ARG A 36 13.942 -13.340 7.256 1.00 0.00 N ATOM 508 CZ ARG A 36 14.823 -14.332 7.186 1.00 0.00 C ATOM 509 NH1 ARG A 36 14.478 -15.493 6.646 1.00 0.00 N ATOM 510 NH2 ARG A 36 16.053 -14.163 7.654 1.00 0.00 N ATOM 0 H ARG A 36 9.691 -10.516 7.553 1.00 0.00 H new ATOM 0 HA ARG A 36 8.514 -12.725 6.253 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.630 -12.943 5.179 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.383 -11.226 5.427 1.00 0.00 H new ATOM 0 HG2 ARG A 36 12.552 -11.383 6.156 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.736 -11.686 7.677 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.996 -14.089 7.428 1.00 0.00 H new ATOM 0 HD3 ARG A 36 12.572 -13.913 5.782 1.00 0.00 H new ATOM 0 HE ARG A 36 14.240 -12.459 7.676 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.534 -15.626 6.283 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.157 -16.253 6.594 1.00 0.00 H new ATOM 0 HH21 ARG A 36 16.323 -13.271 8.068 1.00 0.00 H new ATOM 0 HH22 ARG A 36 16.729 -14.925 7.600 1.00 0.00 H new ATOM 524 N ASP A 37 9.830 -13.404 9.055 1.00 0.00 N ATOM 525 CA ASP A 37 10.142 -14.454 10.018 1.00 0.00 C ATOM 526 C ASP A 37 8.995 -14.643 11.006 1.00 0.00 C ATOM 527 O ASP A 37 8.797 -15.733 11.541 1.00 0.00 O ATOM 528 CB ASP A 37 11.430 -14.120 10.771 1.00 0.00 C ATOM 529 CG ASP A 37 12.114 -15.354 11.325 1.00 0.00 C ATOM 530 OD1 ASP A 37 11.521 -16.018 12.202 1.00 0.00 O ATOM 531 OD2 ASP A 37 13.241 -15.657 10.882 1.00 0.00 O ATOM 0 H ASP A 37 9.717 -12.477 9.464 1.00 0.00 H new ATOM 0 HA ASP A 37 10.283 -15.385 9.469 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.114 -13.599 10.101 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.202 -13.436 11.589 1.00 0.00 H new ATOM 536 N ASN A 38 8.242 -13.574 11.243 1.00 0.00 N ATOM 537 CA ASN A 38 7.116 -13.621 12.168 1.00 0.00 C ATOM 538 C ASN A 38 5.889 -12.942 11.567 1.00 0.00 C ATOM 539 O ASN A 38 5.422 -11.910 12.049 1.00 0.00 O ATOM 540 CB ASN A 38 7.488 -12.950 13.491 1.00 0.00 C ATOM 541 CG ASN A 38 8.208 -13.893 14.436 1.00 0.00 C ATOM 542 OD1 ASN A 38 8.387 -15.073 14.135 1.00 0.00 O ATOM 543 ND2 ASN A 38 8.625 -13.374 15.585 1.00 0.00 N ATOM 0 H ASN A 38 8.391 -12.664 10.807 1.00 0.00 H new ATOM 0 HA ASN A 38 6.875 -14.667 12.355 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.122 -12.086 13.291 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.584 -12.577 13.973 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.116 -13.959 16.261 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.454 -12.390 15.792 1.00 0.00 H new ATOM 550 N PRO A 39 5.354 -13.534 10.489 1.00 0.00 N ATOM 551 CA PRO A 39 4.174 -13.004 9.799 1.00 0.00 C ATOM 552 C PRO A 39 2.903 -13.147 10.630 1.00 0.00 C ATOM 553 O PRO A 39 2.138 -14.096 10.454 1.00 0.00 O ATOM 554 CB PRO A 39 4.086 -13.863 8.536 1.00 0.00 C ATOM 555 CG PRO A 39 4.767 -15.138 8.896 1.00 0.00 C ATOM 556 CD PRO A 39 5.859 -14.766 9.861 1.00 0.00 C ATOM 0 HA PRO A 39 4.264 -11.936 9.600 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.049 -14.036 8.246 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.576 -13.377 7.692 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.067 -15.840 9.350 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.177 -15.625 8.011 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.029 -15.552 10.597 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.807 -14.597 9.350 1.00 0.00 H new ATOM 564 N HIS A 40 2.684 -12.200 11.537 1.00 0.00 N ATOM 565 CA HIS A 40 1.505 -12.220 12.395 1.00 0.00 C ATOM 566 C HIS A 40 0.304 -12.801 11.654 1.00 0.00 C ATOM 567 O HIS A 40 -0.361 -13.712 12.147 1.00 0.00 O ATOM 568 CB HIS A 40 1.182 -10.809 12.887 1.00 0.00 C ATOM 569 CG HIS A 40 -0.276 -10.583 13.141 1.00 0.00 C ATOM 570 ND1 HIS A 40 -1.130 -11.579 13.566 1.00 0.00 N ATOM 571 CD2 HIS A 40 -1.031 -9.465 13.030 1.00 0.00 C ATOM 572 CE1 HIS A 40 -2.347 -11.085 13.703 1.00 0.00 C ATOM 573 NE2 HIS A 40 -2.314 -9.803 13.384 1.00 0.00 N ATOM 0 H HIS A 40 3.308 -11.409 11.697 1.00 0.00 H new ATOM 0 HA HIS A 40 1.722 -12.855 13.254 1.00 0.00 H new ATOM 0 HB2 HIS A 40 1.736 -10.618 13.806 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.530 -10.087 12.148 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -0.863 -12.547 13.746 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -0.688 -8.489 12.721 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.220 -11.635 14.021 1.00 0.00 H new ATOM 582 N PHE A 41 0.032 -12.267 10.468 1.00 0.00 N ATOM 583 CA PHE A 41 -1.090 -12.731 9.660 1.00 0.00 C ATOM 584 C PHE A 41 -1.330 -14.223 9.869 1.00 0.00 C ATOM 585 O PHE A 41 -0.536 -15.056 9.433 1.00 0.00 O ATOM 586 CB PHE A 41 -0.831 -12.446 8.179 1.00 0.00 C ATOM 587 CG PHE A 41 -1.532 -11.219 7.673 1.00 0.00 C ATOM 588 CD1 PHE A 41 -2.904 -11.082 7.812 1.00 0.00 C ATOM 589 CD2 PHE A 41 -0.820 -10.202 7.057 1.00 0.00 C ATOM 590 CE1 PHE A 41 -3.553 -9.953 7.347 1.00 0.00 C ATOM 591 CE2 PHE A 41 -1.463 -9.071 6.591 1.00 0.00 C ATOM 592 CZ PHE A 41 -2.832 -8.947 6.735 1.00 0.00 C ATOM 0 H PHE A 41 0.573 -11.513 10.045 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.982 -12.190 9.976 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.242 -12.333 8.021 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.151 -13.306 7.591 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.473 -11.866 8.289 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.250 -10.294 6.940 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.623 -9.858 7.462 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.896 -8.285 6.115 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.337 -8.065 6.370 1.00 0.00 H new ATOM 602 N GLU A 42 -2.430 -14.551 10.539 1.00 0.00 N ATOM 603 CA GLU A 42 -2.774 -15.942 10.807 1.00 0.00 C ATOM 604 C GLU A 42 -2.587 -16.799 9.558 1.00 0.00 C ATOM 605 O GLU A 42 -2.247 -17.978 9.647 1.00 0.00 O ATOM 606 CB GLU A 42 -4.219 -16.048 11.299 1.00 0.00 C ATOM 607 CG GLU A 42 -5.197 -15.202 10.501 1.00 0.00 C ATOM 608 CD GLU A 42 -6.642 -15.469 10.878 1.00 0.00 C ATOM 609 OE1 GLU A 42 -6.992 -16.651 11.082 1.00 0.00 O ATOM 610 OE2 GLU A 42 -7.422 -14.499 10.967 1.00 0.00 O ATOM 0 H GLU A 42 -3.098 -13.873 10.906 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.105 -16.311 11.584 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.533 -17.091 11.255 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.261 -15.747 12.346 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.973 -14.147 10.660 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.060 -15.400 9.438 1.00 0.00 H new ATOM 617 N ASN A 43 -2.812 -16.197 8.395 1.00 0.00 N ATOM 618 CA ASN A 43 -2.669 -16.904 7.127 1.00 0.00 C ATOM 619 C ASN A 43 -1.207 -17.247 6.857 1.00 0.00 C ATOM 620 O ASN A 43 -0.876 -18.385 6.528 1.00 0.00 O ATOM 621 CB ASN A 43 -3.227 -16.057 5.981 1.00 0.00 C ATOM 622 CG ASN A 43 -4.721 -16.239 5.802 1.00 0.00 C ATOM 623 OD1 ASN A 43 -5.169 -17.167 5.128 1.00 0.00 O ATOM 624 ND2 ASN A 43 -5.502 -15.350 6.406 1.00 0.00 N ATOM 0 H ASN A 43 -3.094 -15.221 8.304 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.235 -17.833 7.192 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.012 -15.006 6.172 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.718 -16.323 5.055 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.516 -15.421 6.321 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.088 -14.597 6.955 1.00 0.00 H new ATOM 631 N GLY A 44 -0.336 -16.253 7.000 1.00 0.00 N ATOM 632 CA GLY A 44 1.080 -16.469 6.768 1.00 0.00 C ATOM 633 C GLY A 44 1.625 -15.598 5.653 1.00 0.00 C ATOM 634 O GLY A 44 2.254 -16.095 4.720 1.00 0.00 O ATOM 0 H GLY A 44 -0.586 -15.302 7.272 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.631 -16.265 7.686 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.249 -17.517 6.521 1.00 0.00 H new ATOM 638 N GLU A 45 1.381 -14.295 5.750 1.00 0.00 N ATOM 639 CA GLU A 45 1.850 -13.354 4.740 1.00 0.00 C ATOM 640 C GLU A 45 3.121 -12.647 5.202 1.00 0.00 C ATOM 641 O GLU A 45 3.108 -11.898 6.180 1.00 0.00 O ATOM 642 CB GLU A 45 0.764 -12.322 4.428 1.00 0.00 C ATOM 643 CG GLU A 45 1.201 -11.259 3.435 1.00 0.00 C ATOM 644 CD GLU A 45 1.024 -11.699 1.994 1.00 0.00 C ATOM 645 OE1 GLU A 45 -0.016 -12.317 1.687 1.00 0.00 O ATOM 646 OE2 GLU A 45 1.926 -11.425 1.175 1.00 0.00 O ATOM 0 H GLU A 45 0.862 -13.867 6.517 1.00 0.00 H new ATOM 0 HA GLU A 45 2.077 -13.917 3.835 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.112 -12.837 4.034 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.458 -11.837 5.355 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.626 -10.349 3.606 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.248 -11.012 3.610 1.00 0.00 H new ATOM 653 N THR A 46 4.219 -12.891 4.493 1.00 0.00 N ATOM 654 CA THR A 46 5.498 -12.280 4.831 1.00 0.00 C ATOM 655 C THR A 46 5.628 -10.895 4.208 1.00 0.00 C ATOM 656 O THR A 46 6.682 -10.538 3.681 1.00 0.00 O ATOM 657 CB THR A 46 6.678 -13.154 4.365 1.00 0.00 C ATOM 658 OG1 THR A 46 6.523 -13.488 2.981 1.00 0.00 O ATOM 659 CG2 THR A 46 6.770 -14.427 5.192 1.00 0.00 C ATOM 0 H THR A 46 4.248 -13.508 3.681 1.00 0.00 H new ATOM 0 HA THR A 46 5.528 -12.190 5.917 1.00 0.00 H new ATOM 0 HB THR A 46 7.598 -12.585 4.501 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.406 -13.597 2.570 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.611 -15.027 4.844 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.918 -14.170 6.241 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.848 -14.998 5.085 1.00 0.00 H new ATOM 667 N SER A 47 4.551 -10.119 4.271 1.00 0.00 N ATOM 668 CA SER A 47 4.544 -8.773 3.710 1.00 0.00 C ATOM 669 C SER A 47 4.229 -7.738 4.785 1.00 0.00 C ATOM 670 O SER A 47 3.285 -7.899 5.559 1.00 0.00 O ATOM 671 CB SER A 47 3.522 -8.676 2.576 1.00 0.00 C ATOM 672 OG SER A 47 3.917 -9.462 1.464 1.00 0.00 O ATOM 0 H SER A 47 3.672 -10.399 4.705 1.00 0.00 H new ATOM 0 HA SER A 47 5.538 -8.566 3.312 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.547 -9.008 2.932 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.412 -7.636 2.269 1.00 0.00 H new ATOM 0 HG SER A 47 3.249 -10.161 1.304 1.00 0.00 H new ATOM 678 N ILE A 48 5.025 -6.675 4.826 1.00 0.00 N ATOM 679 CA ILE A 48 4.831 -5.613 5.804 1.00 0.00 C ATOM 680 C ILE A 48 3.530 -4.860 5.547 1.00 0.00 C ATOM 681 O ILE A 48 3.307 -4.339 4.453 1.00 0.00 O ATOM 682 CB ILE A 48 6.002 -4.612 5.789 1.00 0.00 C ATOM 683 CG1 ILE A 48 7.316 -5.326 6.113 1.00 0.00 C ATOM 684 CG2 ILE A 48 5.748 -3.485 6.778 1.00 0.00 C ATOM 685 CD1 ILE A 48 7.277 -6.104 7.410 1.00 0.00 C ATOM 0 H ILE A 48 5.811 -6.527 4.193 1.00 0.00 H new ATOM 0 HA ILE A 48 4.785 -6.090 6.783 1.00 0.00 H new ATOM 0 HB ILE A 48 6.080 -4.182 4.790 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.561 -6.007 5.298 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.117 -4.589 6.165 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.584 -2.786 6.756 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.831 -2.962 6.506 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.647 -3.898 7.782 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.242 -6.584 7.576 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.063 -5.425 8.235 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.498 -6.864 7.355 1.00 0.00 H new ATOM 697 N VAL A 49 2.674 -4.804 6.562 1.00 0.00 N ATOM 698 CA VAL A 49 1.396 -4.112 6.447 1.00 0.00 C ATOM 699 C VAL A 49 1.229 -3.078 7.555 1.00 0.00 C ATOM 700 O VAL A 49 1.739 -3.253 8.663 1.00 0.00 O ATOM 701 CB VAL A 49 0.216 -5.100 6.500 1.00 0.00 C ATOM 702 CG1 VAL A 49 -0.131 -5.593 5.104 1.00 0.00 C ATOM 703 CG2 VAL A 49 0.539 -6.266 7.422 1.00 0.00 C ATOM 0 H VAL A 49 2.842 -5.230 7.473 1.00 0.00 H new ATOM 0 HA VAL A 49 1.395 -3.608 5.481 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.654 -4.580 6.901 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.967 -6.290 5.162 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.408 -4.745 4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.733 -6.097 4.671 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.306 -6.954 7.448 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.422 -6.788 7.053 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.733 -5.892 8.427 1.00 0.00 H new ATOM 713 N ILE A 50 0.513 -2.001 7.250 1.00 0.00 N ATOM 714 CA ILE A 50 0.278 -0.940 8.221 1.00 0.00 C ATOM 715 C ILE A 50 -0.929 -1.255 9.098 1.00 0.00 C ATOM 716 O ILE A 50 -2.074 -1.150 8.658 1.00 0.00 O ATOM 717 CB ILE A 50 0.054 0.417 7.528 1.00 0.00 C ATOM 718 CG1 ILE A 50 1.325 0.857 6.798 1.00 0.00 C ATOM 719 CG2 ILE A 50 -0.369 1.467 8.545 1.00 0.00 C ATOM 720 CD1 ILE A 50 2.358 1.486 7.707 1.00 0.00 C ATOM 0 H ILE A 50 0.086 -1.840 6.338 1.00 0.00 H new ATOM 0 HA ILE A 50 1.171 -0.878 8.844 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.745 0.307 6.794 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.767 -0.007 6.303 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.058 1.570 6.018 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.524 2.421 8.040 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.297 1.156 9.025 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.410 1.578 9.299 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.231 1.773 7.121 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.934 2.370 8.183 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.654 0.769 8.472 1.00 0.00 H new ATOM 732 N SER A 51 -0.664 -1.640 10.343 1.00 0.00 N ATOM 733 CA SER A 51 -1.728 -1.972 11.283 1.00 0.00 C ATOM 734 C SER A 51 -2.042 -0.787 12.190 1.00 0.00 C ATOM 735 O SER A 51 -2.711 -0.933 13.213 1.00 0.00 O ATOM 736 CB SER A 51 -1.331 -3.185 12.128 1.00 0.00 C ATOM 737 OG SER A 51 -2.476 -3.854 12.628 1.00 0.00 O ATOM 0 H SER A 51 0.278 -1.730 10.724 1.00 0.00 H new ATOM 0 HA SER A 51 -2.623 -2.215 10.709 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.738 -3.873 11.526 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.702 -2.864 12.958 1.00 0.00 H new ATOM 0 HG SER A 51 -3.069 -3.207 13.064 1.00 0.00 H new ATOM 743 N ASP A 52 -1.553 0.388 11.808 1.00 0.00 N ATOM 744 CA ASP A 52 -1.781 1.601 12.585 1.00 0.00 C ATOM 745 C ASP A 52 -1.587 2.844 11.722 1.00 0.00 C ATOM 746 O ASP A 52 -0.503 3.077 11.187 1.00 0.00 O ATOM 747 CB ASP A 52 -0.837 1.646 13.787 1.00 0.00 C ATOM 748 CG ASP A 52 -1.076 0.504 14.755 1.00 0.00 C ATOM 749 OD1 ASP A 52 -0.524 -0.592 14.526 1.00 0.00 O ATOM 750 OD2 ASP A 52 -1.816 0.706 15.741 1.00 0.00 O ATOM 0 H ASP A 52 -0.996 0.526 10.965 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.811 1.587 12.942 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.195 1.611 13.436 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.964 2.594 14.310 1.00 0.00 H new ATOM 755 N VAL A 53 -2.644 3.638 11.591 1.00 0.00 N ATOM 756 CA VAL A 53 -2.590 4.857 10.793 1.00 0.00 C ATOM 757 C VAL A 53 -3.122 6.051 11.578 1.00 0.00 C ATOM 758 O VAL A 53 -4.326 6.313 11.592 1.00 0.00 O ATOM 759 CB VAL A 53 -3.399 4.712 9.490 1.00 0.00 C ATOM 760 CG1 VAL A 53 -3.548 6.060 8.801 1.00 0.00 C ATOM 761 CG2 VAL A 53 -2.740 3.701 8.565 1.00 0.00 C ATOM 0 H VAL A 53 -3.549 3.459 12.027 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.542 5.026 10.544 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.395 4.347 9.739 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.122 5.938 7.883 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.067 6.752 9.464 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.562 6.457 8.562 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.324 3.611 7.649 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.732 4.035 8.321 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.691 2.732 9.061 1.00 0.00 H new ATOM 771 N LEU A 54 -2.218 6.774 12.230 1.00 0.00 N ATOM 772 CA LEU A 54 -2.595 7.942 13.018 1.00 0.00 C ATOM 773 C LEU A 54 -3.755 8.687 12.366 1.00 0.00 C ATOM 774 O LEU A 54 -3.595 9.376 11.358 1.00 0.00 O ATOM 775 CB LEU A 54 -1.398 8.881 13.179 1.00 0.00 C ATOM 776 CG LEU A 54 -1.257 9.560 14.542 1.00 0.00 C ATOM 777 CD1 LEU A 54 -0.047 10.482 14.556 1.00 0.00 C ATOM 778 CD2 LEU A 54 -2.522 10.332 14.887 1.00 0.00 C ATOM 0 H LEU A 54 -1.218 6.572 12.228 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.915 7.598 14.002 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.488 8.314 12.982 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.463 9.655 12.415 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.109 8.788 15.297 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.038 10.957 15.534 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.854 9.903 14.355 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.165 11.248 13.790 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.403 10.808 15.860 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.701 11.095 14.129 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.369 9.647 14.919 1.00 0.00 H new ATOM 790 N PRO A 55 -4.953 8.548 12.954 1.00 0.00 N ATOM 791 CA PRO A 55 -6.163 9.202 12.449 1.00 0.00 C ATOM 792 C PRO A 55 -6.132 10.714 12.648 1.00 0.00 C ATOM 793 O PRO A 55 -7.078 11.416 12.296 1.00 0.00 O ATOM 794 CB PRO A 55 -7.281 8.576 13.286 1.00 0.00 C ATOM 795 CG PRO A 55 -6.613 8.143 14.546 1.00 0.00 C ATOM 796 CD PRO A 55 -5.217 7.742 14.157 1.00 0.00 C ATOM 0 HA PRO A 55 -6.285 9.059 11.375 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.076 9.295 13.486 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.737 7.732 12.769 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.598 8.951 15.277 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.145 7.309 15.004 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.501 7.958 14.950 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.149 6.674 13.948 1.00 0.00 H new ATOM 804 N GLY A 56 -5.035 11.209 13.215 1.00 0.00 N ATOM 805 CA GLY A 56 -4.901 12.634 13.451 1.00 0.00 C ATOM 806 C GLY A 56 -3.538 13.162 13.050 1.00 0.00 C ATOM 807 O GLY A 56 -3.169 14.281 13.403 1.00 0.00 O ATOM 0 H GLY A 56 -4.238 10.648 13.515 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.672 13.166 12.893 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.071 12.842 14.507 1.00 0.00 H new ATOM 811 N GLY A 57 -2.785 12.353 12.310 1.00 0.00 N ATOM 812 CA GLY A 57 -1.462 12.762 11.875 1.00 0.00 C ATOM 813 C GLY A 57 -1.356 12.870 10.367 1.00 0.00 C ATOM 814 O GLY A 57 -2.349 13.060 9.665 1.00 0.00 O ATOM 0 H GLY A 57 -3.068 11.422 12.004 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.217 13.725 12.323 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.726 12.045 12.238 1.00 0.00 H new ATOM 818 N PRO A 58 -0.125 12.748 9.847 1.00 0.00 N ATOM 819 CA PRO A 58 0.137 12.831 8.407 1.00 0.00 C ATOM 820 C PRO A 58 -0.410 11.627 7.648 1.00 0.00 C ATOM 821 O PRO A 58 -0.944 11.765 6.548 1.00 0.00 O ATOM 822 CB PRO A 58 1.665 12.865 8.326 1.00 0.00 C ATOM 823 CG PRO A 58 2.125 12.188 9.571 1.00 0.00 C ATOM 824 CD PRO A 58 1.104 12.519 10.624 1.00 0.00 C ATOM 0 HA PRO A 58 -0.347 13.696 7.954 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.026 12.347 7.437 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.036 13.888 8.272 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.199 11.110 9.425 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.115 12.539 9.863 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.983 11.703 11.337 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.388 13.402 11.196 1.00 0.00 H new ATOM 832 N ALA A 59 -0.273 10.446 8.243 1.00 0.00 N ATOM 833 CA ALA A 59 -0.756 9.218 7.623 1.00 0.00 C ATOM 834 C ALA A 59 -2.255 9.292 7.352 1.00 0.00 C ATOM 835 O ALA A 59 -2.722 8.910 6.279 1.00 0.00 O ATOM 836 CB ALA A 59 -0.436 8.021 8.505 1.00 0.00 C ATOM 0 H ALA A 59 0.168 10.314 9.153 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.246 9.098 6.667 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.802 7.111 8.030 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.643 7.949 8.644 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.919 8.144 9.474 1.00 0.00 H new ATOM 842 N ASP A 60 -3.005 9.786 8.332 1.00 0.00 N ATOM 843 CA ASP A 60 -4.451 9.911 8.199 1.00 0.00 C ATOM 844 C ASP A 60 -4.823 10.513 6.848 1.00 0.00 C ATOM 845 O ASP A 60 -4.918 11.732 6.705 1.00 0.00 O ATOM 846 CB ASP A 60 -5.016 10.773 9.329 1.00 0.00 C ATOM 847 CG ASP A 60 -6.259 11.535 8.910 1.00 0.00 C ATOM 848 OD1 ASP A 60 -7.334 10.908 8.812 1.00 0.00 O ATOM 849 OD2 ASP A 60 -6.155 12.758 8.679 1.00 0.00 O ATOM 0 H ASP A 60 -2.635 10.106 9.227 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.884 8.913 8.263 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.253 10.138 10.183 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.254 11.479 9.659 1.00 0.00 H new ATOM 854 N GLY A 61 -5.032 9.651 5.858 1.00 0.00 N ATOM 855 CA GLY A 61 -5.389 10.117 4.531 1.00 0.00 C ATOM 856 C GLY A 61 -4.414 9.648 3.469 1.00 0.00 C ATOM 857 O GLY A 61 -4.818 9.100 2.443 1.00 0.00 O ATOM 0 H GLY A 61 -4.960 8.638 5.951 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.390 9.764 4.282 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.426 11.206 4.530 1.00 0.00 H new ATOM 861 N LEU A 62 -3.126 9.865 3.714 1.00 0.00 N ATOM 862 CA LEU A 62 -2.089 9.462 2.771 1.00 0.00 C ATOM 863 C LEU A 62 -2.033 7.943 2.639 1.00 0.00 C ATOM 864 O LEU A 62 -2.067 7.404 1.532 1.00 0.00 O ATOM 865 CB LEU A 62 -0.729 9.998 3.219 1.00 0.00 C ATOM 866 CG LEU A 62 -0.566 11.518 3.198 1.00 0.00 C ATOM 867 CD1 LEU A 62 0.753 11.922 3.839 1.00 0.00 C ATOM 868 CD2 LEU A 62 -0.653 12.045 1.773 1.00 0.00 C ATOM 0 H LEU A 62 -2.775 10.318 4.558 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.335 9.883 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.539 9.646 4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.039 9.562 2.581 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.378 11.959 3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.852 13.007 3.815 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.775 11.578 4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.578 11.470 3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.535 13.129 1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.137 11.597 1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.623 11.788 1.349 1.00 0.00 H new ATOM 880 N LEU A 63 -1.949 7.259 3.775 1.00 0.00 N ATOM 881 CA LEU A 63 -1.890 5.802 3.787 1.00 0.00 C ATOM 882 C LEU A 63 -3.091 5.215 4.522 1.00 0.00 C ATOM 883 O LEU A 63 -3.845 5.937 5.173 1.00 0.00 O ATOM 884 CB LEU A 63 -0.593 5.330 4.448 1.00 0.00 C ATOM 885 CG LEU A 63 0.659 5.365 3.570 1.00 0.00 C ATOM 886 CD1 LEU A 63 1.878 4.920 4.362 1.00 0.00 C ATOM 887 CD2 LEU A 63 0.472 4.491 2.338 1.00 0.00 C ATOM 0 H LEU A 63 -1.920 7.690 4.699 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.913 5.453 2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.412 5.946 5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.738 4.308 4.799 1.00 0.00 H new ATOM 0 HG LEU A 63 0.820 6.391 3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.759 4.951 3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.023 5.587 5.212 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.727 3.902 4.722 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.373 4.528 1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.285 3.462 2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.376 4.856 1.759 1.00 0.00 H new ATOM 899 N GLN A 64 -3.260 3.901 4.413 1.00 0.00 N ATOM 900 CA GLN A 64 -4.368 3.217 5.069 1.00 0.00 C ATOM 901 C GLN A 64 -3.890 1.947 5.764 1.00 0.00 C ATOM 902 O GLN A 64 -2.731 1.555 5.632 1.00 0.00 O ATOM 903 CB GLN A 64 -5.458 2.876 4.051 1.00 0.00 C ATOM 904 CG GLN A 64 -6.402 4.032 3.760 1.00 0.00 C ATOM 905 CD GLN A 64 -7.729 3.572 3.189 1.00 0.00 C ATOM 906 OE1 GLN A 64 -8.631 3.175 3.927 1.00 0.00 O ATOM 907 NE2 GLN A 64 -7.855 3.624 1.868 1.00 0.00 N ATOM 0 H GLN A 64 -2.644 3.289 3.877 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.781 3.888 5.823 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.988 2.559 3.120 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.037 2.029 4.421 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.580 4.591 4.679 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.926 4.717 3.058 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.081 3.960 1.295 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.726 3.328 1.427 1.00 0.00 H new ATOM 916 N GLU A 65 -4.790 1.309 6.505 1.00 0.00 N ATOM 917 CA GLU A 65 -4.458 0.083 7.222 1.00 0.00 C ATOM 918 C GLU A 65 -4.405 -1.107 6.269 1.00 0.00 C ATOM 919 O GLU A 65 -5.103 -1.137 5.256 1.00 0.00 O ATOM 920 CB GLU A 65 -5.482 -0.181 8.328 1.00 0.00 C ATOM 921 CG GLU A 65 -4.893 -0.855 9.555 1.00 0.00 C ATOM 922 CD GLU A 65 -5.939 -1.573 10.386 1.00 0.00 C ATOM 923 OE1 GLU A 65 -6.637 -2.448 9.832 1.00 0.00 O ATOM 924 OE2 GLU A 65 -6.061 -1.259 11.588 1.00 0.00 O ATOM 0 H GLU A 65 -5.754 1.620 6.625 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.473 0.211 7.672 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.935 0.765 8.626 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.282 -0.806 7.930 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.131 -1.569 9.242 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.395 -0.107 10.172 1.00 0.00 H new ATOM 931 N ASN A 66 -3.571 -2.087 6.601 1.00 0.00 N ATOM 932 CA ASN A 66 -3.424 -3.280 5.775 1.00 0.00 C ATOM 933 C ASN A 66 -2.894 -2.921 4.390 1.00 0.00 C ATOM 934 O ASN A 66 -3.117 -3.646 3.421 1.00 0.00 O ATOM 935 CB ASN A 66 -4.766 -4.005 5.647 1.00 0.00 C ATOM 936 CG ASN A 66 -5.083 -4.851 6.865 1.00 0.00 C ATOM 937 OD1 ASN A 66 -5.057 -6.080 6.805 1.00 0.00 O ATOM 938 ND2 ASN A 66 -5.386 -4.194 7.979 1.00 0.00 N ATOM 0 H ASN A 66 -2.986 -2.078 7.437 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.705 -3.941 6.260 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.559 -3.272 5.500 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.750 -4.640 4.761 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.609 -4.709 8.830 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.395 -3.174 7.983 1.00 0.00 H new ATOM 945 N ASP A 67 -2.191 -1.797 4.305 1.00 0.00 N ATOM 946 CA ASP A 67 -1.627 -1.341 3.040 1.00 0.00 C ATOM 947 C ASP A 67 -0.298 -2.034 2.757 1.00 0.00 C ATOM 948 O ASP A 67 0.770 -1.469 2.993 1.00 0.00 O ATOM 949 CB ASP A 67 -1.431 0.175 3.061 1.00 0.00 C ATOM 950 CG ASP A 67 -2.664 0.925 2.593 1.00 0.00 C ATOM 951 OD1 ASP A 67 -3.776 0.370 2.715 1.00 0.00 O ATOM 952 OD2 ASP A 67 -2.516 2.065 2.106 1.00 0.00 O ATOM 0 H ASP A 67 -1.998 -1.185 5.098 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.327 -1.598 2.245 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.179 0.492 4.073 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.586 0.438 2.425 1.00 0.00 H new ATOM 957 N ARG A 68 -0.372 -3.261 2.251 1.00 0.00 N ATOM 958 CA ARG A 68 0.826 -4.032 1.938 1.00 0.00 C ATOM 959 C ARG A 68 1.879 -3.152 1.270 1.00 0.00 C ATOM 960 O ARG A 68 1.711 -2.722 0.129 1.00 0.00 O ATOM 961 CB ARG A 68 0.476 -5.209 1.026 1.00 0.00 C ATOM 962 CG ARG A 68 0.199 -6.501 1.777 1.00 0.00 C ATOM 963 CD ARG A 68 -1.278 -6.649 2.104 1.00 0.00 C ATOM 964 NE ARG A 68 -1.989 -7.421 1.087 1.00 0.00 N ATOM 965 CZ ARG A 68 -1.692 -8.678 0.779 1.00 0.00 C ATOM 966 NH1 ARG A 68 -0.705 -9.303 1.405 1.00 0.00 N ATOM 967 NH2 ARG A 68 -2.385 -9.314 -0.158 1.00 0.00 N ATOM 0 H ARG A 68 -1.248 -3.742 2.049 1.00 0.00 H new ATOM 0 HA ARG A 68 1.237 -4.415 2.872 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.400 -4.949 0.432 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.297 -5.373 0.328 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.527 -7.350 1.177 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.781 -6.519 2.699 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.388 -7.137 3.072 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.731 -5.661 2.192 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.755 -6.970 0.587 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.171 -8.818 2.126 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.480 -10.269 1.166 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.146 -8.837 -0.642 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.156 -10.280 -0.394 1.00 0.00 H new ATOM 981 N VAL A 69 2.966 -2.889 1.990 1.00 0.00 N ATOM 982 CA VAL A 69 4.047 -2.062 1.468 1.00 0.00 C ATOM 983 C VAL A 69 4.921 -2.849 0.498 1.00 0.00 C ATOM 984 O VAL A 69 5.267 -4.003 0.753 1.00 0.00 O ATOM 985 CB VAL A 69 4.928 -1.508 2.603 1.00 0.00 C ATOM 986 CG1 VAL A 69 5.867 -0.435 2.075 1.00 0.00 C ATOM 987 CG2 VAL A 69 4.064 -0.964 3.730 1.00 0.00 C ATOM 0 H VAL A 69 3.121 -3.237 2.936 1.00 0.00 H new ATOM 0 HA VAL A 69 3.582 -1.229 0.940 1.00 0.00 H new ATOM 0 HB VAL A 69 5.533 -2.323 3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.481 -0.055 2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.510 -0.861 1.305 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.284 0.382 1.650 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.703 -0.577 4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.432 -0.162 3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.437 -1.763 4.126 1.00 0.00 H new ATOM 997 N VAL A 70 5.277 -2.217 -0.616 1.00 0.00 N ATOM 998 CA VAL A 70 6.113 -2.857 -1.624 1.00 0.00 C ATOM 999 C VAL A 70 7.506 -2.238 -1.656 1.00 0.00 C ATOM 1000 O VAL A 70 8.506 -2.942 -1.795 1.00 0.00 O ATOM 1001 CB VAL A 70 5.484 -2.749 -3.026 1.00 0.00 C ATOM 1002 CG1 VAL A 70 6.201 -3.666 -4.005 1.00 0.00 C ATOM 1003 CG2 VAL A 70 3.999 -3.073 -2.969 1.00 0.00 C ATOM 0 H VAL A 70 4.999 -1.262 -0.843 1.00 0.00 H new ATOM 0 HA VAL A 70 6.191 -3.909 -1.349 1.00 0.00 H new ATOM 0 HB VAL A 70 5.596 -1.723 -3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.743 -3.576 -4.990 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.252 -3.382 -4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.123 -4.697 -3.661 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.570 -2.992 -3.968 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.862 -4.088 -2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.499 -2.371 -2.301 1.00 0.00 H new ATOM 1013 N MET A 71 7.564 -0.917 -1.527 1.00 0.00 N ATOM 1014 CA MET A 71 8.836 -0.203 -1.539 1.00 0.00 C ATOM 1015 C MET A 71 8.798 0.990 -0.589 1.00 0.00 C ATOM 1016 O MET A 71 7.741 1.573 -0.350 1.00 0.00 O ATOM 1017 CB MET A 71 9.167 0.268 -2.956 1.00 0.00 C ATOM 1018 CG MET A 71 10.269 1.314 -3.007 1.00 0.00 C ATOM 1019 SD MET A 71 11.147 1.322 -4.582 1.00 0.00 S ATOM 1020 CE MET A 71 12.190 -0.122 -4.396 1.00 0.00 C ATOM 0 H MET A 71 6.746 -0.319 -1.413 1.00 0.00 H new ATOM 0 HA MET A 71 9.613 -0.889 -1.202 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.466 -0.592 -3.555 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.267 0.678 -3.413 1.00 0.00 H new ATOM 0 HG2 MET A 71 9.838 2.299 -2.831 1.00 0.00 H new ATOM 0 HG3 MET A 71 10.979 1.128 -2.201 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.216 0.134 -4.659 1.00 0.00 H new ATOM 0 HE2 MET A 71 12.155 -0.465 -3.362 1.00 0.00 H new ATOM 0 HE3 MET A 71 11.834 -0.915 -5.054 1.00 0.00 H new ATOM 1030 N VAL A 72 9.959 1.348 -0.050 1.00 0.00 N ATOM 1031 CA VAL A 72 10.059 2.472 0.873 1.00 0.00 C ATOM 1032 C VAL A 72 11.353 3.249 0.655 1.00 0.00 C ATOM 1033 O VAL A 72 12.431 2.799 1.042 1.00 0.00 O ATOM 1034 CB VAL A 72 9.996 2.003 2.339 1.00 0.00 C ATOM 1035 CG1 VAL A 72 10.287 3.159 3.283 1.00 0.00 C ATOM 1036 CG2 VAL A 72 8.639 1.386 2.641 1.00 0.00 C ATOM 0 H VAL A 72 10.844 0.876 -0.237 1.00 0.00 H new ATOM 0 HA VAL A 72 9.209 3.123 0.671 1.00 0.00 H new ATOM 0 HB VAL A 72 10.760 1.240 2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.238 2.808 4.314 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.283 3.552 3.081 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.549 3.947 3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.611 1.060 3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.857 2.126 2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.475 0.529 1.987 1.00 0.00 H new ATOM 1046 N ASN A 73 11.238 4.418 0.034 1.00 0.00 N ATOM 1047 CA ASN A 73 12.399 5.258 -0.235 1.00 0.00 C ATOM 1048 C ASN A 73 13.399 4.533 -1.131 1.00 0.00 C ATOM 1049 O ASN A 73 14.599 4.798 -1.080 1.00 0.00 O ATOM 1050 CB ASN A 73 13.074 5.667 1.075 1.00 0.00 C ATOM 1051 CG ASN A 73 12.379 6.838 1.744 1.00 0.00 C ATOM 1052 OD1 ASN A 73 11.702 7.629 1.087 1.00 0.00 O ATOM 1053 ND2 ASN A 73 12.544 6.953 3.056 1.00 0.00 N ATOM 0 H ASN A 73 10.353 4.805 -0.292 1.00 0.00 H new ATOM 0 HA ASN A 73 12.056 6.153 -0.753 1.00 0.00 H new ATOM 0 HB2 ASN A 73 13.083 4.816 1.756 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.113 5.929 0.878 1.00 0.00 H new ATOM 0 HD21 ASN A 73 12.101 7.721 3.560 1.00 0.00 H new ATOM 0 HD22 ASN A 73 13.114 6.274 3.560 1.00 0.00 H new ATOM 1060 N GLY A 74 12.894 3.617 -1.951 1.00 0.00 N ATOM 1061 CA GLY A 74 13.756 2.868 -2.847 1.00 0.00 C ATOM 1062 C GLY A 74 14.233 1.564 -2.238 1.00 0.00 C ATOM 1063 O GLY A 74 15.265 1.024 -2.636 1.00 0.00 O ATOM 0 H GLY A 74 11.904 3.380 -2.011 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.219 2.658 -3.772 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.619 3.479 -3.111 1.00 0.00 H new ATOM 1067 N THR A 75 13.479 1.056 -1.267 1.00 0.00 N ATOM 1068 CA THR A 75 13.831 -0.191 -0.600 1.00 0.00 C ATOM 1069 C THR A 75 12.656 -1.161 -0.592 1.00 0.00 C ATOM 1070 O THR A 75 11.550 -0.832 -0.163 1.00 0.00 O ATOM 1071 CB THR A 75 14.287 0.058 0.851 1.00 0.00 C ATOM 1072 OG1 THR A 75 15.317 1.052 0.877 1.00 0.00 O ATOM 1073 CG2 THR A 75 14.799 -1.227 1.485 1.00 0.00 C ATOM 0 H THR A 75 12.621 1.489 -0.926 1.00 0.00 H new ATOM 0 HA THR A 75 14.656 -0.629 -1.163 1.00 0.00 H new ATOM 0 HB THR A 75 13.429 0.410 1.423 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.061 1.772 1.491 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.115 -1.027 2.509 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.004 -1.972 1.490 1.00 0.00 H new ATOM 0 HG23 THR A 75 15.646 -1.604 0.911 1.00 0.00 H new ATOM 1081 N PRO A 76 12.897 -2.388 -1.078 1.00 0.00 N ATOM 1082 CA PRO A 76 11.870 -3.433 -1.136 1.00 0.00 C ATOM 1083 C PRO A 76 11.488 -3.948 0.247 1.00 0.00 C ATOM 1084 O PRO A 76 12.343 -4.397 1.010 1.00 0.00 O ATOM 1085 CB PRO A 76 12.538 -4.541 -1.954 1.00 0.00 C ATOM 1086 CG PRO A 76 13.999 -4.335 -1.750 1.00 0.00 C ATOM 1087 CD PRO A 76 14.192 -2.851 -1.606 1.00 0.00 C ATOM 0 HA PRO A 76 10.939 -3.066 -1.569 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.226 -5.528 -1.612 1.00 0.00 H new ATOM 0 HB3 PRO A 76 12.272 -4.470 -3.009 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.347 -4.862 -0.861 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.569 -4.723 -2.594 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.010 -2.616 -0.925 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.427 -2.382 -2.561 1.00 0.00 H new ATOM 1095 N MET A 77 10.199 -3.881 0.563 1.00 0.00 N ATOM 1096 CA MET A 77 9.705 -4.343 1.855 1.00 0.00 C ATOM 1097 C MET A 77 9.032 -5.706 1.724 1.00 0.00 C ATOM 1098 O MET A 77 8.212 -6.085 2.558 1.00 0.00 O ATOM 1099 CB MET A 77 8.720 -3.329 2.440 1.00 0.00 C ATOM 1100 CG MET A 77 9.199 -1.890 2.342 1.00 0.00 C ATOM 1101 SD MET A 77 10.218 -1.400 3.747 1.00 0.00 S ATOM 1102 CE MET A 77 11.837 -1.337 2.984 1.00 0.00 C ATOM 0 H MET A 77 9.478 -3.512 -0.057 1.00 0.00 H new ATOM 0 HA MET A 77 10.557 -4.441 2.528 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.765 -3.422 1.922 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.539 -3.573 3.487 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.770 -1.763 1.422 1.00 0.00 H new ATOM 0 HG3 MET A 77 8.336 -1.228 2.275 1.00 0.00 H new ATOM 0 HE1 MET A 77 12.605 -1.384 3.756 1.00 0.00 H new ATOM 0 HE2 MET A 77 11.952 -2.182 2.305 1.00 0.00 H new ATOM 0 HE3 MET A 77 11.940 -0.407 2.426 1.00 0.00 H new ATOM 1112 N GLU A 78 9.386 -6.436 0.671 1.00 0.00 N ATOM 1113 CA GLU A 78 8.814 -7.756 0.431 1.00 0.00 C ATOM 1114 C GLU A 78 9.730 -8.852 0.970 1.00 0.00 C ATOM 1115 O GLU A 78 10.889 -8.960 0.568 1.00 0.00 O ATOM 1116 CB GLU A 78 8.573 -7.968 -1.065 1.00 0.00 C ATOM 1117 CG GLU A 78 9.800 -7.708 -1.922 1.00 0.00 C ATOM 1118 CD GLU A 78 9.616 -8.161 -3.358 1.00 0.00 C ATOM 1119 OE1 GLU A 78 8.862 -7.493 -4.097 1.00 0.00 O ATOM 1120 OE2 GLU A 78 10.224 -9.182 -3.742 1.00 0.00 O ATOM 0 H GLU A 78 10.065 -6.136 -0.029 1.00 0.00 H new ATOM 0 HA GLU A 78 7.861 -7.812 0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.236 -8.992 -1.229 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.767 -7.311 -1.391 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.029 -6.642 -1.908 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.657 -8.224 -1.489 1.00 0.00 H new ATOM 1127 N ASP A 79 9.202 -9.661 1.882 1.00 0.00 N ATOM 1128 CA ASP A 79 9.971 -10.748 2.476 1.00 0.00 C ATOM 1129 C ASP A 79 11.161 -10.206 3.262 1.00 0.00 C ATOM 1130 O ASP A 79 12.272 -10.725 3.162 1.00 0.00 O ATOM 1131 CB ASP A 79 10.456 -11.710 1.391 1.00 0.00 C ATOM 1132 CG ASP A 79 10.586 -13.134 1.895 1.00 0.00 C ATOM 1133 OD1 ASP A 79 9.547 -13.815 2.023 1.00 0.00 O ATOM 1134 OD2 ASP A 79 11.726 -13.567 2.164 1.00 0.00 O ATOM 0 H ASP A 79 8.245 -9.584 2.226 1.00 0.00 H new ATOM 0 HA ASP A 79 9.320 -11.287 3.164 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.761 -11.687 0.552 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.421 -11.371 1.015 1.00 0.00 H new ATOM 1139 N VAL A 80 10.919 -9.158 4.043 1.00 0.00 N ATOM 1140 CA VAL A 80 11.971 -8.545 4.847 1.00 0.00 C ATOM 1141 C VAL A 80 11.655 -8.647 6.335 1.00 0.00 C ATOM 1142 O VAL A 80 10.557 -9.050 6.722 1.00 0.00 O ATOM 1143 CB VAL A 80 12.169 -7.064 4.475 1.00 0.00 C ATOM 1144 CG1 VAL A 80 12.475 -6.921 2.992 1.00 0.00 C ATOM 1145 CG2 VAL A 80 10.941 -6.251 4.855 1.00 0.00 C ATOM 0 H VAL A 80 10.005 -8.716 4.136 1.00 0.00 H new ATOM 0 HA VAL A 80 12.891 -9.091 4.636 1.00 0.00 H new ATOM 0 HB VAL A 80 13.020 -6.678 5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.612 -5.867 2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.386 -7.470 2.754 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.647 -7.324 2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.098 -5.207 4.585 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.071 -6.636 4.323 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.773 -6.327 5.929 1.00 0.00 H new ATOM 1155 N LEU A 81 12.624 -8.280 7.166 1.00 0.00 N ATOM 1156 CA LEU A 81 12.450 -8.329 8.613 1.00 0.00 C ATOM 1157 C LEU A 81 11.672 -7.115 9.110 1.00 0.00 C ATOM 1158 O LEU A 81 11.819 -6.012 8.583 1.00 0.00 O ATOM 1159 CB LEU A 81 13.811 -8.396 9.308 1.00 0.00 C ATOM 1160 CG LEU A 81 14.568 -9.718 9.178 1.00 0.00 C ATOM 1161 CD1 LEU A 81 15.940 -9.615 9.826 1.00 0.00 C ATOM 1162 CD2 LEU A 81 13.767 -10.854 9.797 1.00 0.00 C ATOM 0 H LEU A 81 13.538 -7.945 6.862 1.00 0.00 H new ATOM 0 HA LEU A 81 11.880 -9.226 8.855 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.440 -7.600 8.909 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.666 -8.187 10.368 1.00 0.00 H new ATOM 0 HG LEU A 81 14.706 -9.933 8.118 1.00 0.00 H new ATOM 0 HD11 LEU A 81 16.463 -10.566 9.723 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.515 -8.829 9.337 1.00 0.00 H new ATOM 0 HD13 LEU A 81 15.826 -9.376 10.883 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.321 -11.787 9.695 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.597 -10.646 10.853 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.808 -10.944 9.286 1.00 0.00 H new ATOM 1174 N HIS A 82 10.844 -7.325 10.128 1.00 0.00 N ATOM 1175 CA HIS A 82 10.044 -6.247 10.698 1.00 0.00 C ATOM 1176 C HIS A 82 10.913 -5.033 11.011 1.00 0.00 C ATOM 1177 O HIS A 82 10.497 -3.892 10.809 1.00 0.00 O ATOM 1178 CB HIS A 82 9.338 -6.724 11.968 1.00 0.00 C ATOM 1179 CG HIS A 82 8.849 -5.607 12.837 1.00 0.00 C ATOM 1180 ND1 HIS A 82 9.528 -4.681 13.554 1.00 0.00 N flip ATOM 1181 CD2 HIS A 82 7.511 -5.346 13.046 1.00 0.00 C flip ATOM 1182 CE1 HIS A 82 8.597 -3.885 14.176 1.00 0.00 C flip ATOM 1183 NE2 HIS A 82 7.388 -4.307 13.853 1.00 0.00 N flip ATOM 0 H HIS A 82 10.709 -8.232 10.575 1.00 0.00 H new ATOM 0 HA HIS A 82 9.295 -5.956 9.962 1.00 0.00 H new ATOM 0 HB2 HIS A 82 8.493 -7.353 11.689 1.00 0.00 H new ATOM 0 HB3 HIS A 82 10.023 -7.347 12.543 1.00 0.00 H new ATOM 0 HD2 HIS A 82 6.692 -5.904 12.617 1.00 0.00 H new ATOM 0 HE1 HIS A 82 8.818 -3.050 14.824 1.00 0.00 H new ATOM 0 HE2 HIS A 82 6.509 -3.900 14.172 1.00 0.00 H new ATOM 1192 N SER A 83 12.120 -5.286 11.505 1.00 0.00 N ATOM 1193 CA SER A 83 13.046 -4.214 11.850 1.00 0.00 C ATOM 1194 C SER A 83 13.575 -3.529 10.594 1.00 0.00 C ATOM 1195 O SER A 83 13.868 -2.333 10.602 1.00 0.00 O ATOM 1196 CB SER A 83 14.211 -4.763 12.675 1.00 0.00 C ATOM 1197 OG SER A 83 13.835 -4.949 14.029 1.00 0.00 O ATOM 0 H SER A 83 12.480 -6.225 11.676 1.00 0.00 H new ATOM 0 HA SER A 83 12.505 -3.477 12.444 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.544 -5.711 12.253 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.055 -4.076 12.620 1.00 0.00 H new ATOM 0 HG SER A 83 14.597 -5.302 14.534 1.00 0.00 H new ATOM 1203 N PHE A 84 13.697 -4.296 9.516 1.00 0.00 N ATOM 1204 CA PHE A 84 14.192 -3.764 8.251 1.00 0.00 C ATOM 1205 C PHE A 84 13.220 -2.739 7.674 1.00 0.00 C ATOM 1206 O PHE A 84 13.625 -1.660 7.242 1.00 0.00 O ATOM 1207 CB PHE A 84 14.410 -4.898 7.247 1.00 0.00 C ATOM 1208 CG PHE A 84 14.932 -4.431 5.919 1.00 0.00 C ATOM 1209 CD1 PHE A 84 16.260 -4.067 5.771 1.00 0.00 C ATOM 1210 CD2 PHE A 84 14.094 -4.355 4.818 1.00 0.00 C ATOM 1211 CE1 PHE A 84 16.744 -3.637 4.550 1.00 0.00 C ATOM 1212 CE2 PHE A 84 14.572 -3.926 3.594 1.00 0.00 C ATOM 1213 CZ PHE A 84 15.898 -3.565 3.460 1.00 0.00 C ATOM 0 H PHE A 84 13.460 -5.288 9.493 1.00 0.00 H new ATOM 0 HA PHE A 84 15.144 -3.269 8.442 1.00 0.00 H new ATOM 0 HB2 PHE A 84 15.110 -5.618 7.671 1.00 0.00 H new ATOM 0 HB3 PHE A 84 13.467 -5.423 7.093 1.00 0.00 H new ATOM 0 HD1 PHE A 84 16.925 -4.120 6.620 1.00 0.00 H new ATOM 0 HD2 PHE A 84 13.055 -4.634 4.917 1.00 0.00 H new ATOM 0 HE1 PHE A 84 17.782 -3.358 4.448 1.00 0.00 H new ATOM 0 HE2 PHE A 84 13.909 -3.873 2.743 1.00 0.00 H new ATOM 0 HZ PHE A 84 16.273 -3.227 2.505 1.00 0.00 H new ATOM 1223 N ALA A 85 11.937 -3.084 7.671 1.00 0.00 N ATOM 1224 CA ALA A 85 10.907 -2.195 7.149 1.00 0.00 C ATOM 1225 C ALA A 85 10.914 -0.858 7.883 1.00 0.00 C ATOM 1226 O ALA A 85 10.925 0.204 7.260 1.00 0.00 O ATOM 1227 CB ALA A 85 9.539 -2.851 7.256 1.00 0.00 C ATOM 0 H ALA A 85 11.586 -3.974 8.025 1.00 0.00 H new ATOM 0 HA ALA A 85 11.124 -2.005 6.098 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.780 -2.175 6.862 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.534 -3.777 6.681 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.322 -3.071 8.301 1.00 0.00 H new ATOM 1233 N VAL A 86 10.907 -0.917 9.211 1.00 0.00 N ATOM 1234 CA VAL A 86 10.912 0.290 10.030 1.00 0.00 C ATOM 1235 C VAL A 86 12.206 1.073 9.845 1.00 0.00 C ATOM 1236 O VAL A 86 12.192 2.300 9.750 1.00 0.00 O ATOM 1237 CB VAL A 86 10.736 -0.045 11.523 1.00 0.00 C ATOM 1238 CG1 VAL A 86 11.723 -1.120 11.950 1.00 0.00 C ATOM 1239 CG2 VAL A 86 10.899 1.207 12.372 1.00 0.00 C ATOM 0 H VAL A 86 10.898 -1.787 9.743 1.00 0.00 H new ATOM 0 HA VAL A 86 10.071 0.900 9.701 1.00 0.00 H new ATOM 0 HB VAL A 86 9.728 -0.431 11.674 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.583 -1.343 13.008 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.554 -2.023 11.363 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.741 -0.766 11.785 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.772 0.952 13.424 1.00 0.00 H new ATOM 0 HG22 VAL A 86 11.894 1.624 12.218 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.148 1.943 12.083 1.00 0.00 H new ATOM 1249 N GLN A 87 13.324 0.356 9.795 1.00 0.00 N ATOM 1250 CA GLN A 87 14.628 0.985 9.622 1.00 0.00 C ATOM 1251 C GLN A 87 14.543 2.156 8.648 1.00 0.00 C ATOM 1252 O GLN A 87 14.864 3.291 8.999 1.00 0.00 O ATOM 1253 CB GLN A 87 15.649 -0.038 9.120 1.00 0.00 C ATOM 1254 CG GLN A 87 17.076 0.269 9.543 1.00 0.00 C ATOM 1255 CD GLN A 87 17.463 -0.422 10.836 1.00 0.00 C ATOM 1256 OE1 GLN A 87 17.239 -1.621 11.003 1.00 0.00 O ATOM 1257 NE2 GLN A 87 18.047 0.333 11.759 1.00 0.00 N ATOM 0 H GLN A 87 13.353 -0.661 9.872 1.00 0.00 H new ATOM 0 HA GLN A 87 14.951 1.365 10.591 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.374 -1.026 9.490 1.00 0.00 H new ATOM 0 HB3 GLN A 87 15.603 -0.081 8.032 1.00 0.00 H new ATOM 0 HG2 GLN A 87 17.760 -0.039 8.752 1.00 0.00 H new ATOM 0 HG3 GLN A 87 17.192 1.346 9.662 1.00 0.00 H new ATOM 0 HE21 GLN A 87 18.213 1.323 11.578 1.00 0.00 H new ATOM 0 HE22 GLN A 87 18.329 -0.077 12.649 1.00 0.00 H new ATOM 1266 N GLN A 88 14.107 1.871 7.425 1.00 0.00 N ATOM 1267 CA GLN A 88 13.981 2.901 6.401 1.00 0.00 C ATOM 1268 C GLN A 88 13.230 4.115 6.939 1.00 0.00 C ATOM 1269 O GLN A 88 13.541 5.255 6.592 1.00 0.00 O ATOM 1270 CB GLN A 88 13.259 2.344 5.173 1.00 0.00 C ATOM 1271 CG GLN A 88 13.934 1.120 4.575 1.00 0.00 C ATOM 1272 CD GLN A 88 15.218 1.460 3.844 1.00 0.00 C ATOM 1273 OE1 GLN A 88 15.292 2.458 3.127 1.00 0.00 O ATOM 1274 NE2 GLN A 88 16.239 0.630 4.022 1.00 0.00 N ATOM 0 H GLN A 88 13.835 0.936 7.120 1.00 0.00 H new ATOM 0 HA GLN A 88 14.984 3.215 6.113 1.00 0.00 H new ATOM 0 HB2 GLN A 88 12.236 2.087 5.449 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.198 3.123 4.413 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.151 0.405 5.369 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.246 0.631 3.885 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.134 -0.186 4.625 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.128 0.808 3.555 1.00 0.00 H new ATOM 1283 N LEU A 89 12.240 3.863 7.788 1.00 0.00 N ATOM 1284 CA LEU A 89 11.443 4.935 8.375 1.00 0.00 C ATOM 1285 C LEU A 89 12.302 5.824 9.270 1.00 0.00 C ATOM 1286 O LEU A 89 12.352 7.040 9.087 1.00 0.00 O ATOM 1287 CB LEU A 89 10.281 4.352 9.180 1.00 0.00 C ATOM 1288 CG LEU A 89 9.438 3.291 8.471 1.00 0.00 C ATOM 1289 CD1 LEU A 89 8.345 2.774 9.393 1.00 0.00 C ATOM 1290 CD2 LEU A 89 8.837 3.856 7.192 1.00 0.00 C ATOM 0 H LEU A 89 11.970 2.926 8.086 1.00 0.00 H new ATOM 0 HA LEU A 89 11.044 5.544 7.564 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.682 3.917 10.095 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.625 5.170 9.477 1.00 0.00 H new ATOM 0 HG LEU A 89 10.086 2.456 8.206 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.755 2.020 8.871 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.797 2.331 10.281 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.698 3.600 9.689 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.240 3.088 6.700 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.203 4.709 7.434 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.637 4.177 6.525 1.00 0.00 H new ATOM 1302 N ARG A 90 12.976 5.208 10.235 1.00 0.00 N ATOM 1303 CA ARG A 90 13.833 5.943 11.157 1.00 0.00 C ATOM 1304 C ARG A 90 14.972 6.630 10.410 1.00 0.00 C ATOM 1305 O ARG A 90 15.464 7.677 10.833 1.00 0.00 O ATOM 1306 CB ARG A 90 14.401 5.001 12.220 1.00 0.00 C ATOM 1307 CG ARG A 90 15.029 3.742 11.645 1.00 0.00 C ATOM 1308 CD ARG A 90 15.704 2.912 12.726 1.00 0.00 C ATOM 1309 NE ARG A 90 16.489 3.738 13.640 1.00 0.00 N ATOM 1310 CZ ARG A 90 15.978 4.346 14.704 1.00 0.00 C ATOM 1311 NH1 ARG A 90 14.689 4.222 14.988 1.00 0.00 N ATOM 1312 NH2 ARG A 90 16.757 5.081 15.488 1.00 0.00 N ATOM 0 H ARG A 90 12.945 4.202 10.399 1.00 0.00 H new ATOM 0 HA ARG A 90 13.228 6.707 11.645 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.150 5.536 12.805 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.603 4.718 12.906 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.262 3.145 11.152 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.760 4.014 10.884 1.00 0.00 H new ATOM 0 HD2 ARG A 90 14.947 2.366 13.290 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.352 2.169 12.261 1.00 0.00 H new ATOM 0 HE ARG A 90 17.484 3.854 13.450 1.00 0.00 H new ATOM 0 HH11 ARG A 90 14.087 3.658 14.388 1.00 0.00 H new ATOM 0 HH12 ARG A 90 14.300 4.690 15.806 1.00 0.00 H new ATOM 0 HH21 ARG A 90 17.749 5.179 15.273 1.00 0.00 H new ATOM 0 HH22 ARG A 90 16.363 5.548 16.305 1.00 0.00 H new ATOM 1326 N LYS A 91 15.387 6.035 9.298 1.00 0.00 N ATOM 1327 CA LYS A 91 16.468 6.588 8.490 1.00 0.00 C ATOM 1328 C LYS A 91 16.021 7.865 7.785 1.00 0.00 C ATOM 1329 O LYS A 91 16.706 8.886 7.837 1.00 0.00 O ATOM 1330 CB LYS A 91 16.939 5.561 7.458 1.00 0.00 C ATOM 1331 CG LYS A 91 17.641 4.362 8.071 1.00 0.00 C ATOM 1332 CD LYS A 91 17.943 3.299 7.027 1.00 0.00 C ATOM 1333 CE LYS A 91 19.176 3.656 6.209 1.00 0.00 C ATOM 1334 NZ LYS A 91 19.269 2.844 4.964 1.00 0.00 N ATOM 0 H LYS A 91 14.991 5.168 8.935 1.00 0.00 H new ATOM 0 HA LYS A 91 17.297 6.831 9.155 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.080 5.214 6.884 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.616 6.048 6.756 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.569 4.685 8.542 1.00 0.00 H new ATOM 0 HG3 LYS A 91 17.016 3.935 8.856 1.00 0.00 H new ATOM 0 HD2 LYS A 91 18.096 2.338 7.518 1.00 0.00 H new ATOM 0 HD3 LYS A 91 17.086 3.185 6.364 1.00 0.00 H new ATOM 0 HE2 LYS A 91 19.147 4.715 5.951 1.00 0.00 H new ATOM 0 HE3 LYS A 91 20.070 3.500 6.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.122 3.117 4.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 19.322 1.835 5.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 18.428 3.012 4.376 1.00 0.00 H new ATOM 1348 N SER A 92 14.868 7.799 7.127 1.00 0.00 N ATOM 1349 CA SER A 92 14.331 8.950 6.409 1.00 0.00 C ATOM 1350 C SER A 92 14.316 10.188 7.301 1.00 0.00 C ATOM 1351 O SER A 92 13.721 10.183 8.378 1.00 0.00 O ATOM 1352 CB SER A 92 12.917 8.650 5.909 1.00 0.00 C ATOM 1353 OG SER A 92 12.578 9.481 4.812 1.00 0.00 O ATOM 0 H SER A 92 14.288 6.962 7.076 1.00 0.00 H new ATOM 0 HA SER A 92 14.977 9.148 5.554 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.847 7.604 5.612 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.202 8.800 6.718 1.00 0.00 H new ATOM 0 HG SER A 92 12.172 10.309 5.142 1.00 0.00 H new ATOM 1359 N GLY A 93 14.976 11.247 6.843 1.00 0.00 N ATOM 1360 CA GLY A 93 15.027 12.478 7.611 1.00 0.00 C ATOM 1361 C GLY A 93 13.677 12.858 8.187 1.00 0.00 C ATOM 1362 O GLY A 93 13.373 12.543 9.337 1.00 0.00 O ATOM 0 H GLY A 93 15.476 11.275 5.954 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.747 12.367 8.422 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.387 13.286 6.974 1.00 0.00 H new ATOM 1366 N LYS A 94 12.865 13.540 7.386 1.00 0.00 N ATOM 1367 CA LYS A 94 11.540 13.965 7.821 1.00 0.00 C ATOM 1368 C LYS A 94 10.474 13.533 6.820 1.00 0.00 C ATOM 1369 O LYS A 94 9.321 13.301 7.187 1.00 0.00 O ATOM 1370 CB LYS A 94 11.502 15.484 7.998 1.00 0.00 C ATOM 1371 CG LYS A 94 10.106 16.035 8.233 1.00 0.00 C ATOM 1372 CD LYS A 94 10.146 17.356 8.983 1.00 0.00 C ATOM 1373 CE LYS A 94 8.753 17.940 9.156 1.00 0.00 C ATOM 1374 NZ LYS A 94 8.111 18.242 7.847 1.00 0.00 N ATOM 0 H LYS A 94 13.102 13.810 6.431 1.00 0.00 H new ATOM 0 HA LYS A 94 11.329 13.488 8.778 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.138 15.759 8.839 1.00 0.00 H new ATOM 0 HB3 LYS A 94 11.925 15.955 7.111 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.603 16.174 7.276 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.519 15.312 8.799 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.603 17.207 9.961 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.774 18.064 8.442 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.131 17.238 9.712 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.813 18.852 9.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.289 18.861 7.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.795 18.720 7.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.800 17.356 7.400 1.00 0.00 H new ATOM 1388 N ILE A 95 10.866 13.424 5.555 1.00 0.00 N ATOM 1389 CA ILE A 95 9.943 13.017 4.502 1.00 0.00 C ATOM 1390 C ILE A 95 10.335 11.662 3.922 1.00 0.00 C ATOM 1391 O ILE A 95 11.494 11.436 3.575 1.00 0.00 O ATOM 1392 CB ILE A 95 9.893 14.055 3.365 1.00 0.00 C ATOM 1393 CG1 ILE A 95 9.628 15.451 3.931 1.00 0.00 C ATOM 1394 CG2 ILE A 95 8.824 13.677 2.350 1.00 0.00 C ATOM 1395 CD1 ILE A 95 8.299 15.573 4.643 1.00 0.00 C ATOM 0 H ILE A 95 11.816 13.612 5.234 1.00 0.00 H new ATOM 0 HA ILE A 95 8.956 12.943 4.958 1.00 0.00 H new ATOM 0 HB ILE A 95 10.859 14.066 2.860 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.428 15.711 4.625 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.663 16.176 3.118 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.801 14.420 1.553 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.053 12.698 1.928 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.852 13.642 2.842 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.179 16.589 5.018 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.491 15.345 3.947 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.268 14.872 5.477 1.00 0.00 H new ATOM 1407 N ALA A 96 9.360 10.765 3.817 1.00 0.00 N ATOM 1408 CA ALA A 96 9.602 9.434 3.275 1.00 0.00 C ATOM 1409 C ALA A 96 8.608 9.104 2.166 1.00 0.00 C ATOM 1410 O ALA A 96 7.488 9.613 2.152 1.00 0.00 O ATOM 1411 CB ALA A 96 9.526 8.392 4.381 1.00 0.00 C ATOM 0 H ALA A 96 8.395 10.936 4.100 1.00 0.00 H new ATOM 0 HA ALA A 96 10.604 9.420 2.846 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.709 7.403 3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.279 8.610 5.139 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.536 8.416 4.836 1.00 0.00 H new ATOM 1417 N ALA A 97 9.027 8.251 1.237 1.00 0.00 N ATOM 1418 CA ALA A 97 8.174 7.853 0.125 1.00 0.00 C ATOM 1419 C ALA A 97 7.861 6.361 0.179 1.00 0.00 C ATOM 1420 O ALA A 97 8.678 5.531 -0.222 1.00 0.00 O ATOM 1421 CB ALA A 97 8.833 8.208 -1.200 1.00 0.00 C ATOM 0 H ALA A 97 9.953 7.822 1.233 1.00 0.00 H new ATOM 0 HA ALA A 97 7.234 8.398 0.208 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.184 7.905 -2.022 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.999 9.284 -1.247 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.788 7.690 -1.282 1.00 0.00 H new ATOM 1427 N ILE A 98 6.675 6.028 0.678 1.00 0.00 N ATOM 1428 CA ILE A 98 6.256 4.636 0.784 1.00 0.00 C ATOM 1429 C ILE A 98 5.295 4.264 -0.340 1.00 0.00 C ATOM 1430 O ILE A 98 4.376 5.017 -0.660 1.00 0.00 O ATOM 1431 CB ILE A 98 5.578 4.354 2.138 1.00 0.00 C ATOM 1432 CG1 ILE A 98 6.513 4.728 3.289 1.00 0.00 C ATOM 1433 CG2 ILE A 98 5.172 2.891 2.232 1.00 0.00 C ATOM 1434 CD1 ILE A 98 5.844 4.699 4.645 1.00 0.00 C ATOM 0 H ILE A 98 5.988 6.703 1.015 1.00 0.00 H new ATOM 0 HA ILE A 98 7.157 4.028 0.704 1.00 0.00 H new ATOM 0 HB ILE A 98 4.679 4.966 2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.360 4.042 3.296 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.913 5.726 3.112 1.00 0.00 H new ATOM 0 HG21 ILE A 98 4.694 2.707 3.194 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.474 2.655 1.429 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.057 2.261 2.140 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.567 4.975 5.413 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.014 5.406 4.657 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.468 3.695 4.844 1.00 0.00 H new ATOM 1446 N VAL A 99 5.513 3.095 -0.935 1.00 0.00 N ATOM 1447 CA VAL A 99 4.665 2.621 -2.022 1.00 0.00 C ATOM 1448 C VAL A 99 3.936 1.341 -1.632 1.00 0.00 C ATOM 1449 O VAL A 99 4.502 0.249 -1.688 1.00 0.00 O ATOM 1450 CB VAL A 99 5.484 2.363 -3.301 1.00 0.00 C ATOM 1451 CG1 VAL A 99 4.564 2.030 -4.466 1.00 0.00 C ATOM 1452 CG2 VAL A 99 6.357 3.566 -3.627 1.00 0.00 C ATOM 0 H VAL A 99 6.270 2.459 -0.682 1.00 0.00 H new ATOM 0 HA VAL A 99 3.935 3.406 -2.219 1.00 0.00 H new ATOM 0 HB VAL A 99 6.136 1.507 -3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.160 1.851 -5.361 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.987 1.136 -4.230 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.885 2.864 -4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.928 3.366 -4.533 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.727 4.442 -3.781 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.042 3.753 -2.800 1.00 0.00 H new ATOM 1462 N VAL A 100 2.675 1.482 -1.235 1.00 0.00 N ATOM 1463 CA VAL A 100 1.866 0.336 -0.837 1.00 0.00 C ATOM 1464 C VAL A 100 0.863 -0.033 -1.923 1.00 0.00 C ATOM 1465 O VAL A 100 0.687 0.699 -2.897 1.00 0.00 O ATOM 1466 CB VAL A 100 1.108 0.614 0.475 1.00 0.00 C ATOM 1467 CG1 VAL A 100 2.063 1.112 1.549 1.00 0.00 C ATOM 1468 CG2 VAL A 100 -0.013 1.615 0.240 1.00 0.00 C ATOM 0 H VAL A 100 2.192 2.379 -1.181 1.00 0.00 H new ATOM 0 HA VAL A 100 2.551 -0.497 -0.683 1.00 0.00 H new ATOM 0 HB VAL A 100 0.664 -0.319 0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.509 1.303 2.468 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.827 0.357 1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.539 2.034 1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.538 1.800 1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.406 2.550 -0.132 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.711 1.213 -0.494 1.00 0.00 H new ATOM 1478 N LYS A 101 0.204 -1.174 -1.750 1.00 0.00 N ATOM 1479 CA LYS A 101 -0.784 -1.642 -2.714 1.00 0.00 C ATOM 1480 C LYS A 101 -2.086 -2.024 -2.016 1.00 0.00 C ATOM 1481 O LYS A 101 -2.108 -2.912 -1.165 1.00 0.00 O ATOM 1482 CB LYS A 101 -0.240 -2.842 -3.493 1.00 0.00 C ATOM 1483 CG LYS A 101 0.185 -4.000 -2.607 1.00 0.00 C ATOM 1484 CD LYS A 101 0.796 -5.129 -3.420 1.00 0.00 C ATOM 1485 CE LYS A 101 0.882 -6.414 -2.612 1.00 0.00 C ATOM 1486 NZ LYS A 101 2.017 -7.272 -3.053 1.00 0.00 N ATOM 0 H LYS A 101 0.337 -1.792 -0.950 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.989 -0.828 -3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.004 -3.189 -4.189 1.00 0.00 H new ATOM 0 HB3 LYS A 101 0.613 -2.520 -4.090 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.907 -3.649 -1.870 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.678 -4.373 -2.056 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.197 -5.300 -4.315 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.793 -4.840 -3.754 1.00 0.00 H new ATOM 0 HE2 LYS A 101 0.999 -6.172 -1.556 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.052 -6.968 -2.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.041 -8.138 -2.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.893 -7.525 -4.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.911 -6.753 -2.935 1.00 0.00 H new ATOM 1500 N ARG A 102 -3.170 -1.347 -2.384 1.00 0.00 N ATOM 1501 CA ARG A 102 -4.475 -1.616 -1.793 1.00 0.00 C ATOM 1502 C ARG A 102 -5.377 -2.353 -2.780 1.00 0.00 C ATOM 1503 O ARG A 102 -5.400 -2.060 -3.975 1.00 0.00 O ATOM 1504 CB ARG A 102 -5.140 -0.309 -1.357 1.00 0.00 C ATOM 1505 CG ARG A 102 -4.286 0.524 -0.415 1.00 0.00 C ATOM 1506 CD ARG A 102 -4.718 1.982 -0.414 1.00 0.00 C ATOM 1507 NE ARG A 102 -3.607 2.882 -0.120 1.00 0.00 N ATOM 1508 CZ ARG A 102 -3.762 4.161 0.203 1.00 0.00 C ATOM 1509 NH1 ARG A 102 -4.977 4.687 0.274 1.00 0.00 N ATOM 1510 NH2 ARG A 102 -2.701 4.917 0.456 1.00 0.00 N ATOM 0 H ARG A 102 -3.170 -0.609 -3.088 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.327 -2.250 -0.919 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.373 0.283 -2.242 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -6.087 -0.538 -0.868 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.358 0.121 0.595 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.240 0.454 -0.712 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.142 2.235 -1.386 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.506 2.126 0.325 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.659 2.508 -0.165 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.795 4.109 0.080 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.094 5.669 0.522 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -1.765 4.516 0.403 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -2.822 5.899 0.704 1.00 0.00 H new ATOM 1524 N PRO A 103 -6.136 -3.333 -2.269 1.00 0.00 N ATOM 1525 CA PRO A 103 -7.053 -4.133 -3.087 1.00 0.00 C ATOM 1526 C PRO A 103 -8.251 -3.324 -3.573 1.00 0.00 C ATOM 1527 O PRO A 103 -9.084 -2.890 -2.776 1.00 0.00 O ATOM 1528 CB PRO A 103 -7.507 -5.240 -2.132 1.00 0.00 C ATOM 1529 CG PRO A 103 -7.346 -4.656 -0.771 1.00 0.00 C ATOM 1530 CD PRO A 103 -6.159 -3.737 -0.852 1.00 0.00 C ATOM 0 HA PRO A 103 -6.574 -4.504 -3.993 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -8.542 -5.525 -2.320 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -6.902 -6.139 -2.251 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -8.241 -4.111 -0.472 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.185 -5.437 -0.028 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.270 -2.878 -0.191 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -5.238 -4.244 -0.564 1.00 0.00 H new ATOM 1538 N ARG A 104 -8.332 -3.125 -4.884 1.00 0.00 N ATOM 1539 CA ARG A 104 -9.428 -2.367 -5.476 1.00 0.00 C ATOM 1540 C ARG A 104 -10.558 -3.296 -5.911 1.00 0.00 C ATOM 1541 O ARG A 104 -10.974 -3.286 -7.070 1.00 0.00 O ATOM 1542 CB ARG A 104 -8.929 -1.559 -6.675 1.00 0.00 C ATOM 1543 CG ARG A 104 -9.856 -0.422 -7.071 1.00 0.00 C ATOM 1544 CD ARG A 104 -9.772 -0.128 -8.561 1.00 0.00 C ATOM 1545 NE ARG A 104 -10.320 1.185 -8.891 1.00 0.00 N ATOM 1546 CZ ARG A 104 -9.674 2.326 -8.679 1.00 0.00 C ATOM 1547 NH1 ARG A 104 -8.463 2.315 -8.139 1.00 0.00 N ATOM 1548 NH2 ARG A 104 -10.239 3.481 -9.007 1.00 0.00 N ATOM 0 H ARG A 104 -7.652 -3.478 -5.557 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.813 -1.682 -4.720 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -7.945 -1.151 -6.443 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.804 -2.228 -7.526 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -10.882 -0.679 -6.807 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -9.596 0.474 -6.507 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -8.732 -0.178 -8.882 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -10.313 -0.896 -9.113 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.250 1.228 -9.307 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.026 1.429 -7.886 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -7.969 3.192 -7.977 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -11.170 3.493 -9.422 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -9.742 4.357 -8.844 1.00 0.00 H new ATOM 1562 N LYS A 105 -11.051 -4.099 -4.974 1.00 0.00 N ATOM 1563 CA LYS A 105 -12.133 -5.034 -5.258 1.00 0.00 C ATOM 1564 C LYS A 105 -13.098 -4.453 -6.287 1.00 0.00 C ATOM 1565 O LYS A 105 -13.415 -3.264 -6.253 1.00 0.00 O ATOM 1566 CB LYS A 105 -12.888 -5.378 -3.972 1.00 0.00 C ATOM 1567 CG LYS A 105 -12.299 -6.557 -3.218 1.00 0.00 C ATOM 1568 CD LYS A 105 -13.093 -6.868 -1.960 1.00 0.00 C ATOM 1569 CE LYS A 105 -14.205 -7.869 -2.236 1.00 0.00 C ATOM 1570 NZ LYS A 105 -15.464 -7.196 -2.660 1.00 0.00 N ATOM 0 H LYS A 105 -10.718 -4.121 -4.010 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.695 -5.944 -5.669 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -12.893 -4.505 -3.319 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -13.927 -5.597 -4.218 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -12.284 -7.433 -3.866 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.265 -6.340 -2.952 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.425 -7.266 -1.196 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.521 -5.948 -1.562 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.885 -8.563 -3.013 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.393 -8.460 -1.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.280 -7.711 -2.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.471 -6.218 -2.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.521 -7.188 -3.698 1.00 0.00 H new ATOM 1584 N VAL A 106 -13.562 -5.299 -7.201 1.00 0.00 N ATOM 1585 CA VAL A 106 -14.493 -4.870 -8.238 1.00 0.00 C ATOM 1586 C VAL A 106 -15.936 -4.984 -7.761 1.00 0.00 C ATOM 1587 O VAL A 106 -16.269 -5.860 -6.963 1.00 0.00 O ATOM 1588 CB VAL A 106 -14.321 -5.700 -9.524 1.00 0.00 C ATOM 1589 CG1 VAL A 106 -14.606 -7.170 -9.254 1.00 0.00 C ATOM 1590 CG2 VAL A 106 -15.225 -5.167 -10.625 1.00 0.00 C ATOM 0 H VAL A 106 -13.308 -6.286 -7.244 1.00 0.00 H new ATOM 0 HA VAL A 106 -14.267 -3.826 -8.456 1.00 0.00 H new ATOM 0 HB VAL A 106 -13.287 -5.611 -9.858 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -14.479 -7.740 -10.174 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -13.914 -7.542 -8.498 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -15.629 -7.282 -8.896 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -15.091 -5.765 -11.527 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -16.264 -5.225 -10.302 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -14.968 -4.129 -10.836 1.00 0.00 H new ATOM 1600 N GLN A 107 -16.789 -4.093 -8.257 1.00 0.00 N ATOM 1601 CA GLN A 107 -18.198 -4.094 -7.882 1.00 0.00 C ATOM 1602 C GLN A 107 -19.076 -3.686 -9.060 1.00 0.00 C ATOM 1603 O GLN A 107 -18.637 -2.961 -9.953 1.00 0.00 O ATOM 1604 CB GLN A 107 -18.434 -3.148 -6.703 1.00 0.00 C ATOM 1605 CG GLN A 107 -18.066 -1.703 -7.000 1.00 0.00 C ATOM 1606 CD GLN A 107 -19.178 -0.949 -7.702 1.00 0.00 C ATOM 1607 OE1 GLN A 107 -20.359 -1.173 -7.435 1.00 0.00 O ATOM 1608 NE2 GLN A 107 -18.806 -0.050 -8.605 1.00 0.00 N ATOM 0 H GLN A 107 -16.529 -3.362 -8.919 1.00 0.00 H new ATOM 0 HA GLN A 107 -18.468 -5.108 -7.586 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -19.484 -3.195 -6.415 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -17.853 -3.494 -5.848 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -17.821 -1.196 -6.067 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -17.170 -1.681 -7.620 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -17.815 0.103 -8.794 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -19.511 0.488 -9.109 1.00 0.00 H new ATOM 1617 N VAL A 108 -20.319 -4.157 -9.057 1.00 0.00 N ATOM 1618 CA VAL A 108 -21.259 -3.841 -10.126 1.00 0.00 C ATOM 1619 C VAL A 108 -21.155 -2.375 -10.533 1.00 0.00 C ATOM 1620 O VAL A 108 -21.272 -1.479 -9.698 1.00 0.00 O ATOM 1621 CB VAL A 108 -22.709 -4.144 -9.705 1.00 0.00 C ATOM 1622 CG1 VAL A 108 -22.879 -5.624 -9.400 1.00 0.00 C ATOM 1623 CG2 VAL A 108 -23.104 -3.295 -8.506 1.00 0.00 C ATOM 0 H VAL A 108 -20.698 -4.759 -8.326 1.00 0.00 H new ATOM 0 HA VAL A 108 -20.996 -4.471 -10.976 1.00 0.00 H new ATOM 0 HB VAL A 108 -23.370 -3.891 -10.534 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -23.910 -5.818 -9.104 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -22.640 -6.208 -10.288 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -22.209 -5.907 -8.588 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -24.132 -3.522 -8.222 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -22.440 -3.514 -7.670 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -23.024 -2.239 -8.766 1.00 0.00 H new ATOM 1633 N ALA A 109 -20.935 -2.139 -11.822 1.00 0.00 N ATOM 1634 CA ALA A 109 -20.818 -0.782 -12.341 1.00 0.00 C ATOM 1635 C ALA A 109 -21.823 0.150 -11.672 1.00 0.00 C ATOM 1636 O ALA A 109 -22.879 -0.272 -11.200 1.00 0.00 O ATOM 1637 CB ALA A 109 -21.013 -0.776 -13.850 1.00 0.00 C ATOM 0 H ALA A 109 -20.834 -2.870 -12.526 1.00 0.00 H new ATOM 0 HA ALA A 109 -19.816 -0.417 -12.113 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -20.923 0.244 -14.224 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -20.253 -1.403 -14.318 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -22.002 -1.165 -14.091 1.00 0.00 H new ATOM 1643 N PRO A 110 -21.488 1.448 -11.628 1.00 0.00 N ATOM 1644 CA PRO A 110 -22.348 2.467 -11.019 1.00 0.00 C ATOM 1645 C PRO A 110 -23.613 2.720 -11.832 1.00 0.00 C ATOM 1646 O PRO A 110 -23.547 3.027 -13.023 1.00 0.00 O ATOM 1647 CB PRO A 110 -21.463 3.716 -11.005 1.00 0.00 C ATOM 1648 CG PRO A 110 -20.491 3.504 -12.114 1.00 0.00 C ATOM 1649 CD PRO A 110 -20.245 2.022 -12.171 1.00 0.00 C ATOM 0 HA PRO A 110 -22.700 2.166 -10.032 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -22.052 4.620 -11.162 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -20.953 3.829 -10.048 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -20.892 3.870 -13.059 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -19.564 4.047 -11.929 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -20.059 1.685 -13.191 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -19.377 1.736 -11.577 1.00 0.00 H new ATOM 1657 N LEU A 111 -24.764 2.589 -11.181 1.00 0.00 N ATOM 1658 CA LEU A 111 -26.046 2.804 -11.844 1.00 0.00 C ATOM 1659 C LEU A 111 -26.627 4.166 -11.478 1.00 0.00 C ATOM 1660 O LEU A 111 -27.554 4.261 -10.675 1.00 0.00 O ATOM 1661 CB LEU A 111 -27.031 1.698 -11.463 1.00 0.00 C ATOM 1662 CG LEU A 111 -26.977 1.222 -10.011 1.00 0.00 C ATOM 1663 CD1 LEU A 111 -28.335 0.697 -9.570 1.00 0.00 C ATOM 1664 CD2 LEU A 111 -25.909 0.152 -9.840 1.00 0.00 C ATOM 0 H LEU A 111 -24.836 2.335 -10.196 1.00 0.00 H new ATOM 0 HA LEU A 111 -25.879 2.778 -12.921 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -28.041 2.051 -11.671 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -26.853 0.841 -12.112 1.00 0.00 H new ATOM 0 HG LEU A 111 -26.716 2.072 -9.380 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -28.277 0.363 -8.534 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -29.077 1.491 -9.654 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -28.625 -0.140 -10.205 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -25.885 -0.175 -8.800 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -26.139 -0.698 -10.482 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -24.937 0.561 -10.114 1.00 0.00 H new ATOM 1676 N SER A 112 -26.075 5.218 -12.075 1.00 0.00 N ATOM 1677 CA SER A 112 -26.537 6.576 -11.810 1.00 0.00 C ATOM 1678 C SER A 112 -26.524 7.412 -13.086 1.00 0.00 C ATOM 1679 O SER A 112 -25.628 7.281 -13.919 1.00 0.00 O ATOM 1680 CB SER A 112 -25.661 7.237 -10.745 1.00 0.00 C ATOM 1681 OG SER A 112 -24.318 7.345 -11.184 1.00 0.00 O ATOM 0 H SER A 112 -25.308 5.156 -12.745 1.00 0.00 H new ATOM 0 HA SER A 112 -27.562 6.520 -11.443 1.00 0.00 H new ATOM 0 HB2 SER A 112 -26.051 8.228 -10.512 1.00 0.00 H new ATOM 0 HB3 SER A 112 -25.700 6.654 -9.825 1.00 0.00 H new ATOM 0 HG SER A 112 -23.779 7.772 -10.486 1.00 0.00 H new ATOM 1687 N GLY A 113 -27.527 8.273 -13.232 1.00 0.00 N ATOM 1688 CA GLY A 113 -27.613 9.118 -14.409 1.00 0.00 C ATOM 1689 C GLY A 113 -28.069 10.526 -14.079 1.00 0.00 C ATOM 1690 O GLY A 113 -29.263 10.825 -14.053 1.00 0.00 O ATOM 0 H GLY A 113 -28.281 8.400 -12.557 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -26.638 9.159 -14.895 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -28.306 8.673 -15.123 1.00 0.00 H new ATOM 1694 N PRO A 114 -27.103 11.419 -13.818 1.00 0.00 N ATOM 1695 CA PRO A 114 -27.387 12.817 -13.482 1.00 0.00 C ATOM 1696 C PRO A 114 -27.926 13.602 -14.674 1.00 0.00 C ATOM 1697 O PRO A 114 -27.666 13.255 -15.826 1.00 0.00 O ATOM 1698 CB PRO A 114 -26.023 13.364 -13.055 1.00 0.00 C ATOM 1699 CG PRO A 114 -25.032 12.498 -13.753 1.00 0.00 C ATOM 1700 CD PRO A 114 -25.659 11.133 -13.831 1.00 0.00 C ATOM 0 HA PRO A 114 -28.155 12.903 -12.714 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -25.908 14.409 -13.343 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -25.898 13.316 -11.973 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -24.810 12.883 -14.748 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -24.090 12.464 -13.206 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -25.362 10.606 -14.738 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -25.366 10.507 -12.988 1.00 0.00 H new ATOM 1708 N SER A 115 -28.678 14.660 -14.389 1.00 0.00 N ATOM 1709 CA SER A 115 -29.256 15.492 -15.437 1.00 0.00 C ATOM 1710 C SER A 115 -28.248 16.526 -15.929 1.00 0.00 C ATOM 1711 O SER A 115 -28.492 17.731 -15.858 1.00 0.00 O ATOM 1712 CB SER A 115 -30.515 16.194 -14.925 1.00 0.00 C ATOM 1713 OG SER A 115 -30.237 16.956 -13.763 1.00 0.00 O ATOM 0 H SER A 115 -28.901 14.961 -13.440 1.00 0.00 H new ATOM 0 HA SER A 115 -29.524 14.845 -16.273 1.00 0.00 H new ATOM 0 HB2 SER A 115 -30.915 16.844 -15.703 1.00 0.00 H new ATOM 0 HB3 SER A 115 -31.283 15.453 -14.703 1.00 0.00 H new ATOM 0 HG SER A 115 -29.594 17.662 -13.981 1.00 0.00 H new ATOM 1719 N SER A 116 -27.112 16.047 -16.427 1.00 0.00 N ATOM 1720 CA SER A 116 -26.064 16.928 -16.927 1.00 0.00 C ATOM 1721 C SER A 116 -25.772 18.045 -15.929 1.00 0.00 C ATOM 1722 O SER A 116 -25.651 19.211 -16.303 1.00 0.00 O ATOM 1723 CB SER A 116 -26.471 17.526 -18.275 1.00 0.00 C ATOM 1724 OG SER A 116 -26.150 16.648 -19.340 1.00 0.00 O ATOM 0 H SER A 116 -26.894 15.053 -16.495 1.00 0.00 H new ATOM 0 HA SER A 116 -25.158 16.336 -17.059 1.00 0.00 H new ATOM 0 HB2 SER A 116 -27.542 17.730 -18.278 1.00 0.00 H new ATOM 0 HB3 SER A 116 -25.965 18.480 -18.421 1.00 0.00 H new ATOM 0 HG SER A 116 -26.422 17.052 -20.190 1.00 0.00 H new ATOM 1730 N GLY A 117 -25.661 17.679 -14.656 1.00 0.00 N ATOM 1731 CA GLY A 117 -25.385 18.661 -13.623 1.00 0.00 C ATOM 1732 C GLY A 117 -24.924 18.025 -12.327 1.00 0.00 C ATOM 1733 O GLY A 117 -23.748 18.106 -11.972 1.00 0.00 O ATOM 0 H GLY A 117 -25.757 16.720 -14.321 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -24.620 19.351 -13.978 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -26.283 19.249 -13.436 1.00 0.00 H new TER 1737 GLY A 117