USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 889 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: B 106 GLN : amide:sc= 0.114 K(o=1.3,f=-1.5) USER MOD Set 1.2: B 110 TYR OH : rot -128:sc= 1.19 USER MOD Single : A 1 MET CE :methyl -118:sc= -0.024 (180deg=-0.889) USER MOD Single : A 1 MET N :NH3+ 159:sc= 1.39 (180deg=0.454) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -1.83 K(o=-1.8,f=-0.28) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1.46 K(o=-1.5,f=-0.19) USER MOD Single : A 22 GLN : amide:sc= -1 K(o=-1,f=-0.0066) USER MOD Single : A 24 GLN : amide:sc= -2.62! C(o=-2.6!,f=-4.1!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.378 X(o=-0.38,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.104) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.158 K(o=-0.16,f=-2.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.15 K(o=-0.15,f=-3.2!) USER MOD Single : B 88 SER OG : rot 180:sc= 0 USER MOD Single : B 100 GLN : amide:sc= -0.832 K(o=-0.83,f=-3.3!) USER MOD Single : B 101 TYR OH : rot 180:sc= 0 USER MOD Single : B 107 ASN : amide:sc= -3.6! C(o=-3.6!,f=-2.2!) USER MOD Single : B 111 LYS NZ :NH3+ 169:sc= -0.0518 (180deg=-0.257) USER MOD Single : B 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 115 GLN : amide:sc= -0.453 K(o=-0.45,f=-4.6!) USER MOD Single : B 123 LYS NZ :NH3+ -153:sc= -0.371 (180deg=-1.22) USER MOD Single : B 130 SER OG : rot -29:sc= 0.16 USER MOD Single : B 133 THR OG1 : rot 180:sc=-0.00292 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 30.308 -1.920 4.037 1.00 0.00 N ATOM 2 CA MET A 1 31.295 -1.868 5.142 1.00 0.00 C ATOM 3 C MET A 1 30.809 -0.943 6.249 1.00 0.00 C ATOM 4 O MET A 1 30.891 0.280 6.132 1.00 0.00 O ATOM 5 CB MET A 1 32.664 -1.393 4.635 1.00 0.00 C ATOM 6 CG MET A 1 33.331 -2.354 3.662 1.00 0.00 C ATOM 7 SD MET A 1 32.559 -2.363 2.031 1.00 0.00 S ATOM 8 CE MET A 1 33.077 -0.766 1.397 1.00 0.00 C ATOM 0 H1 MET A 1 30.777 -2.243 3.167 1.00 0.00 H new ATOM 0 H2 MET A 1 29.544 -2.581 4.284 1.00 0.00 H new ATOM 0 H3 MET A 1 29.909 -0.972 3.883 1.00 0.00 H new ATOM 0 HA MET A 1 31.402 -2.877 5.541 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.544 -0.425 4.149 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.324 -1.241 5.489 1.00 0.00 H new ATOM 0 HG2 MET A 1 34.382 -2.084 3.558 1.00 0.00 H new ATOM 0 HG3 MET A 1 33.300 -3.361 4.077 1.00 0.00 H new ATOM 0 HE1 MET A 1 32.200 -0.148 1.208 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.717 -0.274 2.129 1.00 0.00 H new ATOM 0 HE3 MET A 1 33.630 -0.905 0.468 1.00 0.00 H new ATOM 20 N ASP A 2 30.315 -1.542 7.326 1.00 0.00 N ATOM 21 CA ASP A 2 29.776 -0.798 8.466 1.00 0.00 C ATOM 22 C ASP A 2 30.831 0.118 9.085 1.00 0.00 C ATOM 23 O ASP A 2 30.515 1.191 9.593 1.00 0.00 O ATOM 24 CB ASP A 2 29.252 -1.782 9.517 1.00 0.00 C ATOM 25 CG ASP A 2 28.727 -1.101 10.767 1.00 0.00 C ATOM 26 OD1 ASP A 2 29.511 -0.916 11.724 1.00 0.00 O ATOM 27 OD2 ASP A 2 27.527 -0.753 10.800 1.00 0.00 O ATOM 0 H ASP A 2 30.275 -2.555 7.437 1.00 0.00 H new ATOM 0 HA ASP A 2 28.959 -0.170 8.110 1.00 0.00 H new ATOM 0 HB2 ASP A 2 28.456 -2.383 9.077 1.00 0.00 H new ATOM 0 HB3 ASP A 2 30.053 -2.468 9.794 1.00 0.00 H new ATOM 32 N SER A 3 32.085 -0.306 9.017 1.00 0.00 N ATOM 33 CA SER A 3 33.187 0.443 9.609 1.00 0.00 C ATOM 34 C SER A 3 33.554 1.658 8.751 1.00 0.00 C ATOM 35 O SER A 3 34.131 2.630 9.245 1.00 0.00 O ATOM 36 CB SER A 3 34.400 -0.479 9.784 1.00 0.00 C ATOM 37 OG SER A 3 35.452 0.169 10.479 1.00 0.00 O ATOM 0 H SER A 3 32.367 -1.170 8.555 1.00 0.00 H new ATOM 0 HA SER A 3 32.872 0.812 10.585 1.00 0.00 H new ATOM 0 HB2 SER A 3 34.101 -1.375 10.328 1.00 0.00 H new ATOM 0 HB3 SER A 3 34.755 -0.804 8.806 1.00 0.00 H new ATOM 0 HG SER A 3 36.209 -0.446 10.575 1.00 0.00 H new ATOM 43 N ALA A 4 33.210 1.606 7.470 1.00 0.00 N ATOM 44 CA ALA A 4 33.509 2.703 6.557 1.00 0.00 C ATOM 45 C ALA A 4 32.390 3.734 6.577 1.00 0.00 C ATOM 46 O ALA A 4 32.634 4.942 6.546 1.00 0.00 O ATOM 47 CB ALA A 4 33.721 2.178 5.144 1.00 0.00 C ATOM 0 H ALA A 4 32.725 0.818 7.040 1.00 0.00 H new ATOM 0 HA ALA A 4 34.429 3.185 6.889 1.00 0.00 H new ATOM 0 HB1 ALA A 4 33.943 3.010 4.476 1.00 0.00 H new ATOM 0 HB2 ALA A 4 34.554 1.476 5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 4 32.817 1.672 4.805 1.00 0.00 H new ATOM 53 N ILE A 5 31.160 3.245 6.631 1.00 0.00 N ATOM 54 CA ILE A 5 29.989 4.106 6.703 1.00 0.00 C ATOM 55 C ILE A 5 29.898 4.740 8.086 1.00 0.00 C ATOM 56 O ILE A 5 30.164 4.080 9.090 1.00 0.00 O ATOM 57 CB ILE A 5 28.696 3.301 6.445 1.00 0.00 C ATOM 58 CG1 ILE A 5 28.821 2.472 5.167 1.00 0.00 C ATOM 59 CG2 ILE A 5 27.501 4.235 6.344 1.00 0.00 C ATOM 60 CD1 ILE A 5 27.646 1.550 4.930 1.00 0.00 C ATOM 0 H ILE A 5 30.946 2.248 6.626 1.00 0.00 H new ATOM 0 HA ILE A 5 30.091 4.877 5.939 1.00 0.00 H new ATOM 0 HB ILE A 5 28.545 2.623 7.285 1.00 0.00 H new ATOM 0 HG12 ILE A 5 28.923 3.145 4.315 1.00 0.00 H new ATOM 0 HG13 ILE A 5 29.734 1.879 5.216 1.00 0.00 H new ATOM 0 HG21 ILE A 5 26.598 3.652 6.162 1.00 0.00 H new ATOM 0 HG22 ILE A 5 27.393 4.790 7.276 1.00 0.00 H new ATOM 0 HG23 ILE A 5 27.654 4.934 5.521 1.00 0.00 H new ATOM 0 HD11 ILE A 5 27.801 0.993 4.006 1.00 0.00 H new ATOM 0 HD12 ILE A 5 27.556 0.853 5.764 1.00 0.00 H new ATOM 0 HD13 ILE A 5 26.732 2.139 4.849 1.00 0.00 H new ATOM 72 N SER A 6 29.546 6.015 8.147 1.00 0.00 N ATOM 73 CA SER A 6 29.338 6.664 9.423 1.00 0.00 C ATOM 74 C SER A 6 27.871 6.531 9.812 1.00 0.00 C ATOM 75 O SER A 6 27.053 6.122 8.982 1.00 0.00 O ATOM 76 CB SER A 6 29.746 8.135 9.337 1.00 0.00 C ATOM 77 OG SER A 6 31.025 8.272 8.735 1.00 0.00 O ATOM 0 H SER A 6 29.401 6.613 7.333 1.00 0.00 H new ATOM 0 HA SER A 6 29.955 6.188 10.186 1.00 0.00 H new ATOM 0 HB2 SER A 6 29.006 8.688 8.759 1.00 0.00 H new ATOM 0 HB3 SER A 6 29.761 8.571 10.336 1.00 0.00 H new ATOM 0 HG SER A 6 31.265 9.221 8.689 1.00 0.00 H new ATOM 83 N LYS A 7 27.521 6.867 11.049 1.00 0.00 N ATOM 84 CA LYS A 7 26.124 6.799 11.469 1.00 0.00 C ATOM 85 C LYS A 7 25.289 7.734 10.596 1.00 0.00 C ATOM 86 O LYS A 7 24.084 7.542 10.421 1.00 0.00 O ATOM 87 CB LYS A 7 25.977 7.168 12.947 1.00 0.00 C ATOM 88 CG LYS A 7 24.696 6.637 13.564 1.00 0.00 C ATOM 89 CD LYS A 7 24.476 7.146 14.977 1.00 0.00 C ATOM 90 CE LYS A 7 25.615 6.760 15.908 1.00 0.00 C ATOM 91 NZ LYS A 7 25.296 7.064 17.328 1.00 0.00 N ATOM 0 H LYS A 7 28.171 7.184 11.768 1.00 0.00 H new ATOM 0 HA LYS A 7 25.767 5.776 11.348 1.00 0.00 H new ATOM 0 HB2 LYS A 7 26.830 6.776 13.501 1.00 0.00 H new ATOM 0 HB3 LYS A 7 26.001 8.253 13.050 1.00 0.00 H new ATOM 0 HG2 LYS A 7 23.850 6.926 12.941 1.00 0.00 H new ATOM 0 HG3 LYS A 7 24.726 5.547 13.574 1.00 0.00 H new ATOM 0 HD2 LYS A 7 24.375 8.231 14.959 1.00 0.00 H new ATOM 0 HD3 LYS A 7 23.540 6.745 15.365 1.00 0.00 H new ATOM 0 HE2 LYS A 7 25.825 5.696 15.803 1.00 0.00 H new ATOM 0 HE3 LYS A 7 26.519 7.294 15.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 26.097 6.787 17.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 25.120 8.084 17.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 24.448 6.535 17.614 1.00 0.00 H new ATOM 105 N GLU A 8 25.974 8.723 10.033 1.00 0.00 N ATOM 106 CA GLU A 8 25.427 9.657 9.080 1.00 0.00 C ATOM 107 C GLU A 8 24.622 8.956 7.983 1.00 0.00 C ATOM 108 O GLU A 8 23.400 9.098 7.904 1.00 0.00 O ATOM 109 CB GLU A 8 26.611 10.404 8.478 1.00 0.00 C ATOM 110 CG GLU A 8 26.271 11.270 7.295 1.00 0.00 C ATOM 111 CD GLU A 8 25.297 12.375 7.634 1.00 0.00 C ATOM 112 OE1 GLU A 8 24.091 12.214 7.366 1.00 0.00 O ATOM 113 OE2 GLU A 8 25.732 13.412 8.174 1.00 0.00 O ATOM 0 H GLU A 8 26.958 8.895 10.240 1.00 0.00 H new ATOM 0 HA GLU A 8 24.733 10.335 9.577 1.00 0.00 H new ATOM 0 HB2 GLU A 8 27.061 11.028 9.251 1.00 0.00 H new ATOM 0 HB3 GLU A 8 27.365 9.678 8.175 1.00 0.00 H new ATOM 0 HG2 GLU A 8 27.186 11.709 6.898 1.00 0.00 H new ATOM 0 HG3 GLU A 8 25.847 10.648 6.506 1.00 0.00 H new ATOM 120 N ASP A 9 25.315 8.187 7.149 1.00 0.00 N ATOM 121 CA ASP A 9 24.685 7.552 5.998 1.00 0.00 C ATOM 122 C ASP A 9 23.774 6.416 6.449 1.00 0.00 C ATOM 123 O ASP A 9 22.805 6.073 5.770 1.00 0.00 O ATOM 124 CB ASP A 9 25.751 7.025 5.034 1.00 0.00 C ATOM 125 CG ASP A 9 25.199 6.677 3.665 1.00 0.00 C ATOM 126 OD1 ASP A 9 24.805 5.513 3.450 1.00 0.00 O ATOM 127 OD2 ASP A 9 25.175 7.569 2.788 1.00 0.00 O ATOM 0 H ASP A 9 26.311 7.989 7.249 1.00 0.00 H new ATOM 0 HA ASP A 9 24.081 8.296 5.479 1.00 0.00 H new ATOM 0 HB2 ASP A 9 26.534 7.775 4.923 1.00 0.00 H new ATOM 0 HB3 ASP A 9 26.217 6.140 5.467 1.00 0.00 H new ATOM 132 N GLU A 10 24.079 5.844 7.609 1.00 0.00 N ATOM 133 CA GLU A 10 23.269 4.766 8.155 1.00 0.00 C ATOM 134 C GLU A 10 21.870 5.260 8.508 1.00 0.00 C ATOM 135 O GLU A 10 20.880 4.758 7.973 1.00 0.00 O ATOM 136 CB GLU A 10 23.933 4.144 9.384 1.00 0.00 C ATOM 137 CG GLU A 10 23.073 3.085 10.050 1.00 0.00 C ATOM 138 CD GLU A 10 23.795 2.344 11.152 1.00 0.00 C ATOM 139 OE1 GLU A 10 24.576 1.423 10.839 1.00 0.00 O ATOM 140 OE2 GLU A 10 23.577 2.668 12.340 1.00 0.00 O ATOM 0 H GLU A 10 24.878 6.109 8.185 1.00 0.00 H new ATOM 0 HA GLU A 10 23.183 3.999 7.386 1.00 0.00 H new ATOM 0 HB2 GLU A 10 24.884 3.700 9.091 1.00 0.00 H new ATOM 0 HB3 GLU A 10 24.157 4.929 10.106 1.00 0.00 H new ATOM 0 HG2 GLU A 10 22.180 3.556 10.461 1.00 0.00 H new ATOM 0 HG3 GLU A 10 22.739 2.370 9.298 1.00 0.00 H new ATOM 147 N GLU A 11 21.790 6.242 9.404 1.00 0.00 N ATOM 148 CA GLU A 11 20.510 6.813 9.798 1.00 0.00 C ATOM 149 C GLU A 11 19.800 7.416 8.591 1.00 0.00 C ATOM 150 O GLU A 11 18.571 7.414 8.527 1.00 0.00 O ATOM 151 CB GLU A 11 20.687 7.868 10.890 1.00 0.00 C ATOM 152 CG GLU A 11 21.407 7.353 12.126 1.00 0.00 C ATOM 153 CD GLU A 11 21.424 8.359 13.258 1.00 0.00 C ATOM 154 OE1 GLU A 11 20.871 8.055 14.338 1.00 0.00 O ATOM 155 OE2 GLU A 11 21.984 9.458 13.076 1.00 0.00 O ATOM 0 H GLU A 11 22.598 6.657 9.869 1.00 0.00 H new ATOM 0 HA GLU A 11 19.896 6.008 10.202 1.00 0.00 H new ATOM 0 HB2 GLU A 11 21.243 8.711 10.481 1.00 0.00 H new ATOM 0 HB3 GLU A 11 19.706 8.244 11.182 1.00 0.00 H new ATOM 0 HG2 GLU A 11 20.924 6.437 12.467 1.00 0.00 H new ATOM 0 HG3 GLU A 11 22.432 7.093 11.862 1.00 0.00 H new ATOM 162 N ARG A 12 20.581 7.922 7.637 1.00 0.00 N ATOM 163 CA ARG A 12 20.037 8.406 6.372 1.00 0.00 C ATOM 164 C ARG A 12 19.221 7.307 5.700 1.00 0.00 C ATOM 165 O ARG A 12 18.058 7.514 5.348 1.00 0.00 O ATOM 166 CB ARG A 12 21.168 8.879 5.445 1.00 0.00 C ATOM 167 CG ARG A 12 20.741 9.217 4.013 1.00 0.00 C ATOM 168 CD ARG A 12 19.745 10.370 3.942 1.00 0.00 C ATOM 169 NE ARG A 12 18.389 9.956 4.301 1.00 0.00 N ATOM 170 CZ ARG A 12 17.286 10.639 4.010 1.00 0.00 C ATOM 171 NH1 ARG A 12 17.355 11.786 3.344 1.00 0.00 N ATOM 172 NH2 ARG A 12 16.105 10.162 4.383 1.00 0.00 N ATOM 0 H ARG A 12 21.594 8.007 7.718 1.00 0.00 H new ATOM 0 HA ARG A 12 19.383 9.255 6.574 1.00 0.00 H new ATOM 0 HB2 ARG A 12 21.632 9.761 5.886 1.00 0.00 H new ATOM 0 HB3 ARG A 12 21.932 8.103 5.405 1.00 0.00 H new ATOM 0 HG2 ARG A 12 21.624 9.471 3.427 1.00 0.00 H new ATOM 0 HG3 ARG A 12 20.298 8.333 3.554 1.00 0.00 H new ATOM 0 HD2 ARG A 12 20.068 11.168 4.611 1.00 0.00 H new ATOM 0 HD3 ARG A 12 19.741 10.782 2.933 1.00 0.00 H new ATOM 0 HE ARG A 12 18.282 9.080 4.812 1.00 0.00 H new ATOM 0 HH11 ARG A 12 18.261 12.151 3.050 1.00 0.00 H new ATOM 0 HH12 ARG A 12 16.502 12.301 3.126 1.00 0.00 H new ATOM 0 HH21 ARG A 12 16.049 9.278 4.889 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.254 10.679 4.164 1.00 0.00 H new ATOM 186 N TYR A 13 19.826 6.138 5.539 1.00 0.00 N ATOM 187 CA TYR A 13 19.141 5.010 4.935 1.00 0.00 C ATOM 188 C TYR A 13 17.945 4.586 5.783 1.00 0.00 C ATOM 189 O TYR A 13 16.828 4.502 5.280 1.00 0.00 O ATOM 190 CB TYR A 13 20.102 3.836 4.747 1.00 0.00 C ATOM 191 CG TYR A 13 19.412 2.573 4.289 1.00 0.00 C ATOM 192 CD1 TYR A 13 19.560 1.386 4.991 1.00 0.00 C ATOM 193 CD2 TYR A 13 18.596 2.577 3.167 1.00 0.00 C ATOM 194 CE1 TYR A 13 18.914 0.233 4.586 1.00 0.00 C ATOM 195 CE2 TYR A 13 17.948 1.432 2.754 1.00 0.00 C ATOM 196 CZ TYR A 13 18.109 0.262 3.465 1.00 0.00 C ATOM 197 OH TYR A 13 17.465 -0.884 3.053 1.00 0.00 O ATOM 0 H TYR A 13 20.789 5.949 5.819 1.00 0.00 H new ATOM 0 HA TYR A 13 18.775 5.320 3.956 1.00 0.00 H new ATOM 0 HB2 TYR A 13 20.864 4.111 4.018 1.00 0.00 H new ATOM 0 HB3 TYR A 13 20.616 3.641 5.688 1.00 0.00 H new ATOM 0 HD1 TYR A 13 20.190 1.362 5.868 1.00 0.00 H new ATOM 0 HD2 TYR A 13 18.466 3.492 2.608 1.00 0.00 H new ATOM 0 HE1 TYR A 13 19.038 -0.684 5.143 1.00 0.00 H new ATOM 0 HE2 TYR A 13 17.317 1.452 1.878 1.00 0.00 H new ATOM 0 HH TYR A 13 16.938 -0.692 2.249 1.00 0.00 H new ATOM 207 N GLN A 14 18.190 4.336 7.066 1.00 0.00 N ATOM 208 CA GLN A 14 17.146 3.898 7.990 1.00 0.00 C ATOM 209 C GLN A 14 15.912 4.792 7.920 1.00 0.00 C ATOM 210 O GLN A 14 14.809 4.326 7.641 1.00 0.00 O ATOM 211 CB GLN A 14 17.688 3.893 9.414 1.00 0.00 C ATOM 212 CG GLN A 14 18.917 3.021 9.594 1.00 0.00 C ATOM 213 CD GLN A 14 19.273 2.803 11.051 1.00 0.00 C ATOM 214 OE1 GLN A 14 18.823 1.841 11.678 1.00 0.00 O ATOM 215 NE2 GLN A 14 20.082 3.692 11.602 1.00 0.00 N ATOM 0 H GLN A 14 19.111 4.430 7.493 1.00 0.00 H new ATOM 0 HA GLN A 14 16.848 2.891 7.697 1.00 0.00 H new ATOM 0 HB2 GLN A 14 17.932 4.915 9.704 1.00 0.00 H new ATOM 0 HB3 GLN A 14 16.906 3.548 10.090 1.00 0.00 H new ATOM 0 HG2 GLN A 14 18.745 2.056 9.118 1.00 0.00 H new ATOM 0 HG3 GLN A 14 19.762 3.482 9.083 1.00 0.00 H new ATOM 0 HE21 GLN A 14 20.433 4.474 11.049 1.00 0.00 H new ATOM 0 HE22 GLN A 14 20.355 3.596 12.580 1.00 0.00 H new ATOM 224 N LYS A 15 16.104 6.076 8.178 1.00 0.00 N ATOM 225 CA LYS A 15 15.009 7.032 8.133 1.00 0.00 C ATOM 226 C LYS A 15 14.319 7.038 6.774 1.00 0.00 C ATOM 227 O LYS A 15 13.110 7.228 6.692 1.00 0.00 O ATOM 228 CB LYS A 15 15.501 8.436 8.485 1.00 0.00 C ATOM 229 CG LYS A 15 15.845 8.591 9.954 1.00 0.00 C ATOM 230 CD LYS A 15 14.608 8.447 10.826 1.00 0.00 C ATOM 231 CE LYS A 15 14.977 8.186 12.272 1.00 0.00 C ATOM 232 NZ LYS A 15 13.775 8.024 13.131 1.00 0.00 N ATOM 0 H LYS A 15 17.008 6.480 8.421 1.00 0.00 H new ATOM 0 HA LYS A 15 14.276 6.720 8.876 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.381 8.668 7.885 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.733 9.162 8.219 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.583 7.841 10.239 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.301 9.567 10.123 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.007 9.354 10.760 1.00 0.00 H new ATOM 0 HD3 LYS A 15 13.992 7.629 10.453 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.591 7.287 12.333 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.582 9.011 12.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.071 7.847 14.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.202 8.891 13.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.210 7.220 12.790 1.00 0.00 H new ATOM 246 N LEU A 16 15.082 6.798 5.716 1.00 0.00 N ATOM 247 CA LEU A 16 14.536 6.800 4.365 1.00 0.00 C ATOM 248 C LEU A 16 13.568 5.638 4.173 1.00 0.00 C ATOM 249 O LEU A 16 12.494 5.799 3.588 1.00 0.00 O ATOM 250 CB LEU A 16 15.664 6.724 3.337 1.00 0.00 C ATOM 251 CG LEU A 16 15.246 6.929 1.882 1.00 0.00 C ATOM 252 CD1 LEU A 16 14.454 8.219 1.726 1.00 0.00 C ATOM 253 CD2 LEU A 16 16.474 6.945 0.992 1.00 0.00 C ATOM 0 H LEU A 16 16.081 6.599 5.767 1.00 0.00 H new ATOM 0 HA LEU A 16 13.989 7.731 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.413 7.474 3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 16 16.146 5.750 3.424 1.00 0.00 H new ATOM 0 HG LEU A 16 14.603 6.102 1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.166 8.345 0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 16 13.559 8.174 2.346 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.069 9.063 2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 16 16.170 7.091 -0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 16 17.133 7.759 1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 16 17.003 5.996 1.085 1.00 0.00 H new ATOM 265 N VAL A 17 13.949 4.467 4.668 1.00 0.00 N ATOM 266 CA VAL A 17 13.073 3.303 4.600 1.00 0.00 C ATOM 267 C VAL A 17 11.840 3.554 5.449 1.00 0.00 C ATOM 268 O VAL A 17 10.733 3.179 5.087 1.00 0.00 O ATOM 269 CB VAL A 17 13.779 1.996 5.054 1.00 0.00 C ATOM 270 CG1 VAL A 17 15.235 2.027 4.652 1.00 0.00 C ATOM 271 CG2 VAL A 17 13.638 1.748 6.551 1.00 0.00 C ATOM 0 H VAL A 17 14.849 4.298 5.117 1.00 0.00 H new ATOM 0 HA VAL A 17 12.791 3.161 3.557 1.00 0.00 H new ATOM 0 HB VAL A 17 13.284 1.166 4.550 1.00 0.00 H new ATOM 0 HG11 VAL A 17 15.721 1.106 4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 17 15.311 2.117 3.568 1.00 0.00 H new ATOM 0 HG13 VAL A 17 15.724 2.880 5.122 1.00 0.00 H new ATOM 0 HG21 VAL A 17 14.149 0.822 6.816 1.00 0.00 H new ATOM 0 HG22 VAL A 17 14.082 2.578 7.101 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.582 1.666 6.808 1.00 0.00 H new ATOM 281 N THR A 18 12.047 4.246 6.557 1.00 0.00 N ATOM 282 CA THR A 18 10.986 4.583 7.465 1.00 0.00 C ATOM 283 C THR A 18 10.005 5.551 6.808 1.00 0.00 C ATOM 284 O THR A 18 8.793 5.427 6.979 1.00 0.00 O ATOM 285 CB THR A 18 11.589 5.179 8.752 1.00 0.00 C ATOM 286 OG1 THR A 18 11.757 4.156 9.739 1.00 0.00 O ATOM 287 CG2 THR A 18 10.744 6.306 9.297 1.00 0.00 C ATOM 0 H THR A 18 12.964 4.587 6.845 1.00 0.00 H new ATOM 0 HA THR A 18 10.428 3.683 7.725 1.00 0.00 H new ATOM 0 HB THR A 18 12.565 5.595 8.500 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.142 4.546 10.552 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.203 6.699 10.204 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.672 7.100 8.553 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.746 5.934 9.527 1.00 0.00 H new ATOM 295 N GLU A 19 10.538 6.483 6.026 1.00 0.00 N ATOM 296 CA GLU A 19 9.722 7.482 5.356 1.00 0.00 C ATOM 297 C GLU A 19 8.620 6.844 4.521 1.00 0.00 C ATOM 298 O GLU A 19 7.487 7.322 4.528 1.00 0.00 O ATOM 299 CB GLU A 19 10.586 8.400 4.490 1.00 0.00 C ATOM 300 CG GLU A 19 11.393 9.395 5.307 1.00 0.00 C ATOM 301 CD GLU A 19 12.131 10.411 4.459 1.00 0.00 C ATOM 302 OE1 GLU A 19 13.379 10.407 4.465 1.00 0.00 O ATOM 303 OE2 GLU A 19 11.466 11.241 3.802 1.00 0.00 O ATOM 0 H GLU A 19 11.538 6.565 5.841 1.00 0.00 H new ATOM 0 HA GLU A 19 9.245 8.082 6.131 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.265 7.793 3.891 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.946 8.943 3.794 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.725 9.919 5.990 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.113 8.852 5.919 1.00 0.00 H new ATOM 310 N ASN A 20 8.934 5.757 3.822 1.00 0.00 N ATOM 311 CA ASN A 20 7.930 5.098 2.995 1.00 0.00 C ATOM 312 C ASN A 20 7.041 4.175 3.830 1.00 0.00 C ATOM 313 O ASN A 20 5.883 3.954 3.480 1.00 0.00 O ATOM 314 CB ASN A 20 8.551 4.342 1.811 1.00 0.00 C ATOM 315 CG ASN A 20 9.467 3.207 2.221 1.00 0.00 C ATOM 316 OD1 ASN A 20 9.018 2.097 2.487 1.00 0.00 O ATOM 317 ND2 ASN A 20 10.762 3.469 2.236 1.00 0.00 N ATOM 0 H ASN A 20 9.856 5.321 3.811 1.00 0.00 H new ATOM 0 HA ASN A 20 7.304 5.886 2.576 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.751 3.943 1.187 1.00 0.00 H new ATOM 0 HB3 ASN A 20 9.113 5.046 1.197 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.428 2.735 2.475 1.00 0.00 H new ATOM 0 HD22 ASN A 20 11.095 4.406 2.009 1.00 0.00 H new ATOM 324 N GLU A 21 7.568 3.655 4.937 1.00 0.00 N ATOM 325 CA GLU A 21 6.778 2.835 5.851 1.00 0.00 C ATOM 326 C GLU A 21 5.607 3.628 6.429 1.00 0.00 C ATOM 327 O GLU A 21 4.483 3.129 6.521 1.00 0.00 O ATOM 328 CB GLU A 21 7.657 2.345 6.994 1.00 0.00 C ATOM 329 CG GLU A 21 8.842 1.525 6.534 1.00 0.00 C ATOM 330 CD GLU A 21 8.513 0.061 6.359 1.00 0.00 C ATOM 331 OE1 GLU A 21 8.717 -0.472 5.249 1.00 0.00 O ATOM 332 OE2 GLU A 21 8.048 -0.568 7.332 1.00 0.00 O ATOM 0 H GLU A 21 8.538 3.787 5.222 1.00 0.00 H new ATOM 0 HA GLU A 21 6.385 1.987 5.289 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.017 3.205 7.559 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.053 1.746 7.675 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.209 1.925 5.589 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.650 1.626 7.258 1.00 0.00 H new ATOM 339 N GLN A 22 5.886 4.866 6.816 1.00 0.00 N ATOM 340 CA GLN A 22 4.892 5.719 7.462 1.00 0.00 C ATOM 341 C GLN A 22 3.687 5.950 6.566 1.00 0.00 C ATOM 342 O GLN A 22 2.562 5.583 6.905 1.00 0.00 O ATOM 343 CB GLN A 22 5.491 7.079 7.817 1.00 0.00 C ATOM 344 CG GLN A 22 6.816 6.990 8.565 1.00 0.00 C ATOM 345 CD GLN A 22 7.447 8.343 8.846 1.00 0.00 C ATOM 346 OE1 GLN A 22 8.152 8.515 9.841 1.00 0.00 O ATOM 347 NE2 GLN A 22 7.213 9.311 7.974 1.00 0.00 N ATOM 0 H GLN A 22 6.798 5.306 6.693 1.00 0.00 H new ATOM 0 HA GLN A 22 4.576 5.201 8.367 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.639 7.651 6.901 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.777 7.633 8.426 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.656 6.470 9.509 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.513 6.387 7.983 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.624 9.133 7.161 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.622 10.235 8.116 1.00 0.00 H new ATOM 356 N LEU A 23 3.931 6.553 5.413 1.00 0.00 N ATOM 357 CA LEU A 23 2.844 7.054 4.591 1.00 0.00 C ATOM 358 C LEU A 23 2.176 5.960 3.768 1.00 0.00 C ATOM 359 O LEU A 23 1.055 6.147 3.311 1.00 0.00 O ATOM 360 CB LEU A 23 3.304 8.239 3.727 1.00 0.00 C ATOM 361 CG LEU A 23 4.066 7.932 2.440 1.00 0.00 C ATOM 362 CD1 LEU A 23 4.575 9.223 1.830 1.00 0.00 C ATOM 363 CD2 LEU A 23 5.215 6.977 2.671 1.00 0.00 C ATOM 0 H LEU A 23 4.864 6.706 5.029 1.00 0.00 H new ATOM 0 HA LEU A 23 2.074 7.423 5.269 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.422 8.822 3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.935 8.878 4.345 1.00 0.00 H new ATOM 0 HG LEU A 23 3.375 7.444 1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.119 9.002 0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.732 9.876 1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.241 9.721 2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.727 6.789 1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.915 7.415 3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.833 6.038 3.070 1.00 0.00 H new ATOM 375 N GLN A 24 2.835 4.815 3.589 1.00 0.00 N ATOM 376 CA GLN A 24 2.179 3.682 2.935 1.00 0.00 C ATOM 377 C GLN A 24 1.000 3.209 3.783 1.00 0.00 C ATOM 378 O GLN A 24 -0.025 2.770 3.264 1.00 0.00 O ATOM 379 CB GLN A 24 3.145 2.518 2.689 1.00 0.00 C ATOM 380 CG GLN A 24 3.590 1.801 3.953 1.00 0.00 C ATOM 381 CD GLN A 24 4.495 0.613 3.690 1.00 0.00 C ATOM 382 OE1 GLN A 24 5.354 0.288 4.505 1.00 0.00 O ATOM 383 NE2 GLN A 24 4.307 -0.053 2.564 1.00 0.00 N ATOM 0 H GLN A 24 3.799 4.648 3.879 1.00 0.00 H new ATOM 0 HA GLN A 24 1.825 4.023 1.962 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.667 1.798 2.025 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.026 2.895 2.169 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.111 2.509 4.598 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.709 1.462 4.498 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.584 0.245 1.910 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.885 -0.865 2.349 1.00 0.00 H new ATOM 392 N ARG A 25 1.156 3.328 5.095 1.00 0.00 N ATOM 393 CA ARG A 25 0.101 3.018 6.036 1.00 0.00 C ATOM 394 C ARG A 25 -1.032 4.026 5.882 1.00 0.00 C ATOM 395 O ARG A 25 -2.213 3.685 5.927 1.00 0.00 O ATOM 396 CB ARG A 25 0.692 3.065 7.445 1.00 0.00 C ATOM 397 CG ARG A 25 -0.241 3.631 8.491 1.00 0.00 C ATOM 398 CD ARG A 25 0.527 4.044 9.736 1.00 0.00 C ATOM 399 NE ARG A 25 1.374 2.958 10.231 1.00 0.00 N ATOM 400 CZ ARG A 25 2.633 3.112 10.646 1.00 0.00 C ATOM 401 NH1 ARG A 25 3.183 4.320 10.695 1.00 0.00 N ATOM 402 NH2 ARG A 25 3.339 2.052 11.021 1.00 0.00 N ATOM 0 H ARG A 25 2.022 3.643 5.532 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.307 2.025 5.849 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.980 2.056 7.740 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.603 3.664 7.425 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.771 4.492 8.084 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.994 2.888 8.753 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.144 4.914 9.512 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.175 4.343 10.515 1.00 0.00 H new ATOM 0 HE ARG A 25 0.975 2.020 10.261 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.643 5.138 10.414 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.146 4.429 11.013 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.919 1.123 10.991 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.301 2.167 11.339 1.00 0.00 H new ATOM 416 N LEU A 26 -0.644 5.273 5.673 1.00 0.00 N ATOM 417 CA LEU A 26 -1.587 6.361 5.476 1.00 0.00 C ATOM 418 C LEU A 26 -2.315 6.193 4.150 1.00 0.00 C ATOM 419 O LEU A 26 -3.463 6.608 3.995 1.00 0.00 O ATOM 420 CB LEU A 26 -0.824 7.684 5.539 1.00 0.00 C ATOM 421 CG LEU A 26 -0.058 7.872 6.855 1.00 0.00 C ATOM 422 CD1 LEU A 26 0.892 9.059 6.792 1.00 0.00 C ATOM 423 CD2 LEU A 26 -1.037 8.032 8.008 1.00 0.00 C ATOM 0 H LEU A 26 0.334 5.560 5.635 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.344 6.354 6.261 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.122 7.732 4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.526 8.508 5.413 1.00 0.00 H new ATOM 0 HG LEU A 26 0.548 6.981 7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.415 9.157 7.743 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.617 8.902 5.994 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.325 9.969 6.594 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.485 8.165 8.938 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.667 8.904 7.832 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.662 7.142 8.081 1.00 0.00 H new ATOM 435 N ILE A 27 -1.640 5.562 3.205 1.00 0.00 N ATOM 436 CA ILE A 27 -2.249 5.180 1.943 1.00 0.00 C ATOM 437 C ILE A 27 -3.267 4.072 2.165 1.00 0.00 C ATOM 438 O ILE A 27 -4.437 4.216 1.818 1.00 0.00 O ATOM 439 CB ILE A 27 -1.188 4.683 0.940 1.00 0.00 C ATOM 440 CG1 ILE A 27 -0.220 5.806 0.596 1.00 0.00 C ATOM 441 CG2 ILE A 27 -1.839 4.137 -0.325 1.00 0.00 C ATOM 442 CD1 ILE A 27 0.936 5.347 -0.257 1.00 0.00 C ATOM 0 H ILE A 27 -0.658 5.301 3.290 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.740 6.063 1.534 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.633 3.871 1.410 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.759 6.596 0.073 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.166 6.241 1.518 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.066 3.794 -1.013 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.492 3.303 -0.067 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.426 4.923 -0.801 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.590 6.193 -0.468 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.497 4.578 0.274 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.557 4.938 -1.194 1.00 0.00 H new ATOM 454 N THR A 28 -2.802 2.980 2.765 1.00 0.00 N ATOM 455 CA THR A 28 -3.611 1.778 2.940 1.00 0.00 C ATOM 456 C THR A 28 -4.941 2.065 3.656 1.00 0.00 C ATOM 457 O THR A 28 -5.968 1.482 3.302 1.00 0.00 O ATOM 458 CB THR A 28 -2.824 0.666 3.690 1.00 0.00 C ATOM 459 OG1 THR A 28 -3.258 -0.625 3.247 1.00 0.00 O ATOM 460 CG2 THR A 28 -3.006 0.751 5.200 1.00 0.00 C ATOM 0 H THR A 28 -1.857 2.903 3.142 1.00 0.00 H new ATOM 0 HA THR A 28 -3.847 1.421 1.938 1.00 0.00 H new ATOM 0 HB THR A 28 -1.768 0.814 3.463 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.757 -1.320 3.723 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.438 -0.046 5.680 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.648 1.717 5.556 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.062 0.642 5.446 1.00 0.00 H new ATOM 468 N GLN A 29 -4.931 2.968 4.641 1.00 0.00 N ATOM 469 CA GLN A 29 -6.141 3.270 5.402 1.00 0.00 C ATOM 470 C GLN A 29 -7.147 4.042 4.557 1.00 0.00 C ATOM 471 O GLN A 29 -8.357 3.853 4.684 1.00 0.00 O ATOM 472 CB GLN A 29 -5.818 4.027 6.687 1.00 0.00 C ATOM 473 CG GLN A 29 -4.981 5.255 6.454 1.00 0.00 C ATOM 474 CD GLN A 29 -5.060 6.265 7.585 1.00 0.00 C ATOM 475 OE1 GLN A 29 -4.913 7.469 7.369 1.00 0.00 O ATOM 476 NE2 GLN A 29 -5.294 5.788 8.799 1.00 0.00 N ATOM 0 H GLN A 29 -4.106 3.496 4.926 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.595 2.319 5.681 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.749 4.316 7.175 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.293 3.361 7.372 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.942 4.956 6.316 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.301 5.733 5.528 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.410 4.784 8.939 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.358 6.424 9.593 1.00 0.00 H new ATOM 485 N LYS A 30 -6.647 4.902 3.686 1.00 0.00 N ATOM 486 CA LYS A 30 -7.510 5.644 2.780 1.00 0.00 C ATOM 487 C LYS A 30 -7.984 4.727 1.661 1.00 0.00 C ATOM 488 O LYS A 30 -9.173 4.681 1.345 1.00 0.00 O ATOM 489 CB LYS A 30 -6.772 6.856 2.214 1.00 0.00 C ATOM 490 CG LYS A 30 -6.280 7.803 3.292 1.00 0.00 C ATOM 491 CD LYS A 30 -5.515 8.979 2.714 1.00 0.00 C ATOM 492 CE LYS A 30 -4.910 9.835 3.817 1.00 0.00 C ATOM 493 NZ LYS A 30 -5.946 10.399 4.725 1.00 0.00 N ATOM 0 H LYS A 30 -5.652 5.104 3.586 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.379 6.007 3.329 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.923 6.514 1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.435 7.396 1.538 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.130 8.171 3.866 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.638 7.260 3.986 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.725 8.615 2.057 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.183 9.586 2.103 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.209 9.235 4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.339 10.649 3.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.504 11.080 5.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.676 10.881 4.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.383 9.631 5.273 1.00 0.00 H new ATOM 507 N GLU A 31 -7.038 3.990 1.085 1.00 0.00 N ATOM 508 CA GLU A 31 -7.322 3.000 0.053 1.00 0.00 C ATOM 509 C GLU A 31 -8.487 2.091 0.423 1.00 0.00 C ATOM 510 O GLU A 31 -9.442 1.985 -0.339 1.00 0.00 O ATOM 511 CB GLU A 31 -6.080 2.152 -0.223 1.00 0.00 C ATOM 512 CG GLU A 31 -5.126 2.782 -1.221 1.00 0.00 C ATOM 513 CD GLU A 31 -5.679 2.762 -2.630 1.00 0.00 C ATOM 514 OE1 GLU A 31 -5.260 1.891 -3.421 1.00 0.00 O ATOM 515 OE2 GLU A 31 -6.546 3.599 -2.953 1.00 0.00 O ATOM 0 H GLU A 31 -6.049 4.064 1.323 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.604 3.550 -0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.551 1.981 0.715 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.392 1.176 -0.596 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.923 3.812 -0.927 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.175 2.250 -1.198 1.00 0.00 H new ATOM 522 N GLU A 32 -8.420 1.443 1.587 1.00 0.00 N ATOM 523 CA GLU A 32 -9.442 0.469 1.965 1.00 0.00 C ATOM 524 C GLU A 32 -10.830 1.101 2.043 1.00 0.00 C ATOM 525 O GLU A 32 -11.821 0.463 1.685 1.00 0.00 O ATOM 526 CB GLU A 32 -9.099 -0.241 3.279 1.00 0.00 C ATOM 527 CG GLU A 32 -8.695 0.676 4.419 1.00 0.00 C ATOM 528 CD GLU A 32 -8.674 -0.047 5.746 1.00 0.00 C ATOM 529 OE1 GLU A 32 -7.774 -0.885 5.957 1.00 0.00 O ATOM 530 OE2 GLU A 32 -9.561 0.215 6.586 1.00 0.00 O ATOM 0 H GLU A 32 -7.679 1.573 2.276 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.459 -0.281 1.175 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.962 -0.827 3.593 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.287 -0.944 3.093 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.708 1.092 4.217 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.390 1.514 4.474 1.00 0.00 H new ATOM 537 N LYS A 33 -10.907 2.347 2.495 1.00 0.00 N ATOM 538 CA LYS A 33 -12.180 3.059 2.515 1.00 0.00 C ATOM 539 C LYS A 33 -12.658 3.325 1.090 1.00 0.00 C ATOM 540 O LYS A 33 -13.820 3.087 0.752 1.00 0.00 O ATOM 541 CB LYS A 33 -12.056 4.383 3.274 1.00 0.00 C ATOM 542 CG LYS A 33 -11.723 4.226 4.747 1.00 0.00 C ATOM 543 CD LYS A 33 -11.727 5.571 5.452 1.00 0.00 C ATOM 544 CE LYS A 33 -11.409 5.430 6.932 1.00 0.00 C ATOM 545 NZ LYS A 33 -11.514 6.729 7.642 1.00 0.00 N ATOM 0 H LYS A 33 -10.113 2.881 2.849 1.00 0.00 H new ATOM 0 HA LYS A 33 -12.909 2.432 3.029 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -11.284 4.989 2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.993 4.932 3.181 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -12.447 3.562 5.219 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.745 3.758 4.854 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.996 6.230 4.984 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.703 6.042 5.332 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.093 4.712 7.384 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.402 5.030 7.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.290 6.594 8.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.844 7.407 7.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.482 7.098 7.549 1.00 0.00 H new ATOM 559 N ILE A 34 -11.741 3.802 0.257 1.00 0.00 N ATOM 560 CA ILE A 34 -12.042 4.119 -1.136 1.00 0.00 C ATOM 561 C ILE A 34 -12.405 2.863 -1.923 1.00 0.00 C ATOM 562 O ILE A 34 -13.199 2.922 -2.859 1.00 0.00 O ATOM 563 CB ILE A 34 -10.849 4.835 -1.806 1.00 0.00 C ATOM 564 CG1 ILE A 34 -10.596 6.167 -1.112 1.00 0.00 C ATOM 565 CG2 ILE A 34 -11.108 5.053 -3.288 1.00 0.00 C ATOM 566 CD1 ILE A 34 -9.194 6.705 -1.318 1.00 0.00 C ATOM 0 H ILE A 34 -10.773 3.980 0.525 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.902 4.788 -1.141 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.965 4.204 -1.709 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.314 6.900 -1.479 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.777 6.050 -0.044 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -10.253 5.559 -3.736 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -11.257 4.090 -3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -12.000 5.666 -3.415 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.088 7.655 -0.795 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.469 5.992 -0.925 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.015 6.855 -2.383 1.00 0.00 H new ATOM 578 N ARG A 35 -11.834 1.727 -1.535 1.00 0.00 N ATOM 579 CA ARG A 35 -12.146 0.456 -2.184 1.00 0.00 C ATOM 580 C ARG A 35 -13.633 0.168 -2.096 1.00 0.00 C ATOM 581 O ARG A 35 -14.243 -0.290 -3.052 1.00 0.00 O ATOM 582 CB ARG A 35 -11.380 -0.705 -1.556 1.00 0.00 C ATOM 583 CG ARG A 35 -9.872 -0.626 -1.730 1.00 0.00 C ATOM 584 CD ARG A 35 -9.195 -1.940 -1.368 1.00 0.00 C ATOM 585 NE ARG A 35 -9.680 -2.482 -0.100 1.00 0.00 N ATOM 586 CZ ARG A 35 -8.942 -3.208 0.739 1.00 0.00 C ATOM 587 NH1 ARG A 35 -7.658 -3.435 0.482 1.00 0.00 N ATOM 588 NH2 ARG A 35 -9.492 -3.705 1.839 1.00 0.00 N ATOM 0 H ARG A 35 -11.155 1.659 -0.777 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.844 0.548 -3.227 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.610 -0.743 -0.491 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.736 -1.638 -1.992 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.638 -0.368 -2.763 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.475 0.173 -1.104 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -9.369 -2.667 -2.162 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.118 -1.787 -1.307 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.648 -2.292 0.160 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.231 -3.053 -0.362 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.099 -3.992 1.129 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.477 -3.531 2.040 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.930 -4.261 2.484 1.00 0.00 H new ATOM 602 N VAL A 36 -14.213 0.458 -0.947 1.00 0.00 N ATOM 603 CA VAL A 36 -15.632 0.229 -0.736 1.00 0.00 C ATOM 604 C VAL A 36 -16.443 1.136 -1.651 1.00 0.00 C ATOM 605 O VAL A 36 -17.464 0.733 -2.209 1.00 0.00 O ATOM 606 CB VAL A 36 -16.019 0.480 0.729 1.00 0.00 C ATOM 607 CG1 VAL A 36 -17.433 -0.010 0.994 1.00 0.00 C ATOM 608 CG2 VAL A 36 -15.017 -0.194 1.655 1.00 0.00 C ATOM 0 H VAL A 36 -13.724 0.853 -0.144 1.00 0.00 H new ATOM 0 HA VAL A 36 -15.850 -0.813 -0.972 1.00 0.00 H new ATOM 0 HB VAL A 36 -15.996 1.552 0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -17.693 0.175 2.036 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.130 0.522 0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -17.492 -1.079 0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -15.299 -0.011 2.692 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -15.011 -1.267 1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -14.022 0.213 1.473 1.00 0.00 H new ATOM 618 N LEU A 37 -15.956 2.358 -1.817 1.00 0.00 N ATOM 619 CA LEU A 37 -16.551 3.306 -2.749 1.00 0.00 C ATOM 620 C LEU A 37 -16.401 2.800 -4.173 1.00 0.00 C ATOM 621 O LEU A 37 -17.319 2.914 -4.975 1.00 0.00 O ATOM 622 CB LEU A 37 -15.896 4.687 -2.611 1.00 0.00 C ATOM 623 CG LEU A 37 -16.532 5.628 -1.579 1.00 0.00 C ATOM 624 CD1 LEU A 37 -17.809 6.246 -2.128 1.00 0.00 C ATOM 625 CD2 LEU A 37 -16.820 4.891 -0.281 1.00 0.00 C ATOM 0 H LEU A 37 -15.145 2.718 -1.314 1.00 0.00 H new ATOM 0 HA LEU A 37 -17.611 3.402 -2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -14.847 4.546 -2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.918 5.178 -3.584 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.821 6.428 -1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -18.243 6.909 -1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -17.580 6.815 -3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -18.521 5.457 -2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -17.270 5.578 0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -17.507 4.067 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.889 4.498 0.129 1.00 0.00 H new ATOM 637 N ARG A 38 -15.242 2.220 -4.469 1.00 0.00 N ATOM 638 CA ARG A 38 -14.951 1.718 -5.805 1.00 0.00 C ATOM 639 C ARG A 38 -15.906 0.585 -6.172 1.00 0.00 C ATOM 640 O ARG A 38 -16.322 0.478 -7.316 1.00 0.00 O ATOM 641 CB ARG A 38 -13.486 1.256 -5.908 1.00 0.00 C ATOM 642 CG ARG A 38 -13.292 -0.252 -5.834 1.00 0.00 C ATOM 643 CD ARG A 38 -11.824 -0.635 -5.792 1.00 0.00 C ATOM 644 NE ARG A 38 -11.655 -2.079 -5.631 1.00 0.00 N ATOM 645 CZ ARG A 38 -10.483 -2.687 -5.451 1.00 0.00 C ATOM 646 NH1 ARG A 38 -9.358 -1.982 -5.416 1.00 0.00 N ATOM 647 NH2 ARG A 38 -10.436 -4.005 -5.308 1.00 0.00 N ATOM 0 H ARG A 38 -14.486 2.086 -3.797 1.00 0.00 H new ATOM 0 HA ARG A 38 -15.098 2.531 -6.516 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -13.070 1.617 -6.848 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.914 1.723 -5.106 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -13.793 -0.639 -4.947 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -13.765 -0.721 -6.697 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.335 -0.310 -6.710 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.334 -0.115 -4.969 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.492 -2.661 -5.658 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.388 -0.969 -5.527 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.464 -2.454 -5.278 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.296 -4.552 -5.336 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.539 -4.471 -5.170 1.00 0.00 H new ATOM 661 N GLN A 39 -16.262 -0.248 -5.193 1.00 0.00 N ATOM 662 CA GLN A 39 -17.215 -1.333 -5.422 1.00 0.00 C ATOM 663 C GLN A 39 -18.580 -0.769 -5.784 1.00 0.00 C ATOM 664 O GLN A 39 -19.310 -1.334 -6.602 1.00 0.00 O ATOM 665 CB GLN A 39 -17.337 -2.211 -4.181 1.00 0.00 C ATOM 666 CG GLN A 39 -16.001 -2.603 -3.578 1.00 0.00 C ATOM 667 CD GLN A 39 -15.135 -3.441 -4.503 1.00 0.00 C ATOM 668 OE1 GLN A 39 -13.908 -3.359 -4.454 1.00 0.00 O ATOM 669 NE2 GLN A 39 -15.755 -4.265 -5.334 1.00 0.00 N ATOM 0 H GLN A 39 -15.906 -0.192 -4.239 1.00 0.00 H new ATOM 0 HA GLN A 39 -16.847 -1.940 -6.249 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -17.924 -1.683 -3.429 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -17.889 -3.115 -4.439 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -15.456 -1.699 -3.305 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -16.177 -3.159 -2.657 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -16.774 -4.306 -5.346 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.213 -4.859 -5.962 1.00 0.00 H new ATOM 678 N ARG A 40 -18.924 0.345 -5.155 1.00 0.00 N ATOM 679 CA ARG A 40 -20.129 1.075 -5.492 1.00 0.00 C ATOM 680 C ARG A 40 -19.995 1.658 -6.888 1.00 0.00 C ATOM 681 O ARG A 40 -20.905 1.573 -7.712 1.00 0.00 O ATOM 682 CB ARG A 40 -20.354 2.188 -4.477 1.00 0.00 C ATOM 683 CG ARG A 40 -20.679 1.683 -3.083 1.00 0.00 C ATOM 684 CD ARG A 40 -20.906 2.826 -2.105 1.00 0.00 C ATOM 685 NE ARG A 40 -22.087 3.618 -2.446 1.00 0.00 N ATOM 686 CZ ARG A 40 -22.995 4.028 -1.557 1.00 0.00 C ATOM 687 NH1 ARG A 40 -22.878 3.696 -0.275 1.00 0.00 N ATOM 688 NH2 ARG A 40 -24.028 4.757 -1.958 1.00 0.00 N ATOM 0 H ARG A 40 -18.377 0.763 -4.402 1.00 0.00 H new ATOM 0 HA ARG A 40 -20.984 0.399 -5.470 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -19.461 2.811 -4.430 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -21.169 2.824 -4.823 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -21.570 1.056 -3.122 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -19.863 1.055 -2.725 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -21.019 2.424 -1.098 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -20.028 3.472 -2.094 1.00 0.00 H new ATOM 0 HE ARG A 40 -22.226 3.873 -3.424 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -22.091 3.125 0.034 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -23.575 4.012 0.399 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -24.127 5.003 -2.943 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -24.723 5.072 -1.281 1.00 0.00 H new ATOM 702 N LEU A 41 -18.833 2.241 -7.144 1.00 0.00 N ATOM 703 CA LEU A 41 -18.504 2.781 -8.456 1.00 0.00 C ATOM 704 C LEU A 41 -18.542 1.690 -9.523 1.00 0.00 C ATOM 705 O LEU A 41 -18.763 1.982 -10.691 1.00 0.00 O ATOM 706 CB LEU A 41 -17.120 3.422 -8.457 1.00 0.00 C ATOM 707 CG LEU A 41 -16.859 4.491 -7.394 1.00 0.00 C ATOM 708 CD1 LEU A 41 -15.509 5.137 -7.637 1.00 0.00 C ATOM 709 CD2 LEU A 41 -17.954 5.546 -7.374 1.00 0.00 C ATOM 0 H LEU A 41 -18.093 2.353 -6.451 1.00 0.00 H new ATOM 0 HA LEU A 41 -19.253 3.539 -8.685 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.379 2.632 -8.335 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.952 3.868 -9.437 1.00 0.00 H new ATOM 0 HG LEU A 41 -16.859 4.003 -6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -15.328 5.898 -6.878 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.728 4.378 -7.585 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -15.500 5.600 -8.624 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -17.732 6.287 -6.606 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -18.005 6.036 -8.346 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -18.911 5.073 -7.155 1.00 0.00 H new ATOM 721 N VAL A 42 -18.294 0.444 -9.123 1.00 0.00 N ATOM 722 CA VAL A 42 -18.382 -0.696 -10.034 1.00 0.00 C ATOM 723 C VAL A 42 -19.770 -0.775 -10.657 1.00 0.00 C ATOM 724 O VAL A 42 -19.909 -0.934 -11.868 1.00 0.00 O ATOM 725 CB VAL A 42 -18.069 -2.030 -9.312 1.00 0.00 C ATOM 726 CG1 VAL A 42 -18.408 -3.221 -10.193 1.00 0.00 C ATOM 727 CG2 VAL A 42 -16.608 -2.090 -8.887 1.00 0.00 C ATOM 0 H VAL A 42 -18.029 0.198 -8.169 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.637 -0.543 -10.815 1.00 0.00 H new ATOM 0 HB VAL A 42 -18.692 -2.075 -8.418 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -18.178 -4.144 -9.661 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -19.469 -3.200 -10.441 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -17.820 -3.175 -11.110 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.414 -3.037 -8.382 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.970 -2.011 -9.767 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.393 -1.266 -8.207 1.00 0.00 H new ATOM 737 N GLU A 43 -20.791 -0.630 -9.822 1.00 0.00 N ATOM 738 CA GLU A 43 -22.172 -0.671 -10.287 1.00 0.00 C ATOM 739 C GLU A 43 -22.464 0.506 -11.213 1.00 0.00 C ATOM 740 O GLU A 43 -23.320 0.426 -12.094 1.00 0.00 O ATOM 741 CB GLU A 43 -23.128 -0.646 -9.097 1.00 0.00 C ATOM 742 CG GLU A 43 -22.921 -1.796 -8.127 1.00 0.00 C ATOM 743 CD GLU A 43 -23.804 -1.680 -6.903 1.00 0.00 C ATOM 744 OE1 GLU A 43 -23.339 -1.141 -5.878 1.00 0.00 O ATOM 745 OE2 GLU A 43 -24.974 -2.114 -6.963 1.00 0.00 O ATOM 0 H GLU A 43 -20.689 -0.483 -8.818 1.00 0.00 H new ATOM 0 HA GLU A 43 -22.319 -1.596 -10.844 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -23.005 0.296 -8.562 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -24.154 -0.672 -9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -23.129 -2.738 -8.634 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -21.876 -1.824 -7.817 1.00 0.00 H new ATOM 752 N ARG A 44 -21.743 1.598 -11.002 1.00 0.00 N ATOM 753 CA ARG A 44 -21.902 2.796 -11.811 1.00 0.00 C ATOM 754 C ARG A 44 -21.075 2.701 -13.092 1.00 0.00 C ATOM 755 O ARG A 44 -21.459 3.222 -14.136 1.00 0.00 O ATOM 756 CB ARG A 44 -21.495 4.026 -10.998 1.00 0.00 C ATOM 757 CG ARG A 44 -22.302 4.185 -9.721 1.00 0.00 C ATOM 758 CD ARG A 44 -21.910 5.435 -8.953 1.00 0.00 C ATOM 759 NE ARG A 44 -22.722 5.617 -7.750 1.00 0.00 N ATOM 760 CZ ARG A 44 -22.776 6.752 -7.056 1.00 0.00 C ATOM 761 NH1 ARG A 44 -22.039 7.790 -7.424 1.00 0.00 N ATOM 762 NH2 ARG A 44 -23.562 6.847 -5.990 1.00 0.00 N ATOM 0 H ARG A 44 -21.037 1.678 -10.271 1.00 0.00 H new ATOM 0 HA ARG A 44 -22.950 2.889 -12.096 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -20.437 3.955 -10.746 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -21.617 4.918 -11.612 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -23.363 4.228 -9.966 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -22.156 3.310 -9.088 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -20.858 5.374 -8.674 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -22.019 6.306 -9.599 1.00 0.00 H new ATOM 0 HE ARG A 44 -23.280 4.828 -7.424 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -21.430 7.720 -8.239 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -22.081 8.659 -6.892 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -24.127 6.049 -5.700 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -23.601 7.718 -5.461 1.00 0.00 H new ATOM 776 N GLY A 45 -19.945 2.018 -13.003 1.00 0.00 N ATOM 777 CA GLY A 45 -19.069 1.865 -14.144 1.00 0.00 C ATOM 778 C GLY A 45 -17.881 2.802 -14.086 1.00 0.00 C ATOM 779 O GLY A 45 -17.054 2.832 -14.995 1.00 0.00 O ATOM 0 H GLY A 45 -19.617 1.563 -12.151 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.715 0.835 -14.192 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -19.632 2.051 -15.059 1.00 0.00 H new ATOM 783 N ASP A 46 -17.793 3.558 -13.000 1.00 0.00 N ATOM 784 CA ASP A 46 -16.709 4.523 -12.806 1.00 0.00 C ATOM 785 C ASP A 46 -15.410 3.802 -12.470 1.00 0.00 C ATOM 786 O ASP A 46 -14.317 4.262 -12.800 1.00 0.00 O ATOM 787 CB ASP A 46 -17.074 5.497 -11.683 1.00 0.00 C ATOM 788 CG ASP A 46 -15.979 6.504 -11.379 1.00 0.00 C ATOM 789 OD1 ASP A 46 -15.022 6.156 -10.660 1.00 0.00 O ATOM 790 OD2 ASP A 46 -16.085 7.661 -11.838 1.00 0.00 O ATOM 0 H ASP A 46 -18.463 3.524 -12.232 1.00 0.00 H new ATOM 0 HA ASP A 46 -16.567 5.082 -13.731 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -17.983 6.032 -11.957 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -17.298 4.930 -10.779 1.00 0.00 H new ATOM 795 N ALA A 47 -15.548 2.643 -11.844 1.00 0.00 N ATOM 796 CA ALA A 47 -14.402 1.862 -11.390 1.00 0.00 C ATOM 797 C ALA A 47 -13.745 1.095 -12.533 1.00 0.00 C ATOM 798 O ALA A 47 -12.945 0.189 -12.299 1.00 0.00 O ATOM 799 CB ALA A 47 -14.825 0.899 -10.295 1.00 0.00 C ATOM 0 H ALA A 47 -16.451 2.217 -11.636 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.666 2.562 -10.995 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.961 0.322 -9.964 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -15.230 1.461 -9.453 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -15.588 0.222 -10.680 1.00 0.00 H new ATOM 805 N LYS A 48 -14.092 1.449 -13.764 1.00 0.00 N ATOM 806 CA LYS A 48 -13.492 0.827 -14.936 1.00 0.00 C ATOM 807 C LYS A 48 -11.991 1.099 -14.943 1.00 0.00 C ATOM 808 O LYS A 48 -11.182 0.208 -15.209 1.00 0.00 O ATOM 809 CB LYS A 48 -14.144 1.363 -16.217 1.00 0.00 C ATOM 810 CG LYS A 48 -14.019 0.428 -17.412 1.00 0.00 C ATOM 811 CD LYS A 48 -12.607 0.374 -17.966 1.00 0.00 C ATOM 812 CE LYS A 48 -12.429 -0.813 -18.885 1.00 0.00 C ATOM 813 NZ LYS A 48 -11.090 -0.825 -19.532 1.00 0.00 N ATOM 0 H LYS A 48 -14.787 2.165 -13.976 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.658 -0.250 -14.897 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -15.200 1.550 -16.024 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.691 2.322 -16.470 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -14.328 -0.575 -17.118 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -14.701 0.755 -18.197 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.390 1.294 -18.509 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.893 0.313 -17.145 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.565 -1.734 -18.317 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.202 -0.795 -19.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.012 -1.656 -20.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.969 0.041 -20.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.352 -0.869 -18.801 1.00 0.00 H new ATOM 827 N GLY A 49 -11.633 2.336 -14.633 1.00 0.00 N ATOM 828 CA GLY A 49 -10.239 2.699 -14.533 1.00 0.00 C ATOM 829 C GLY A 49 -9.817 3.681 -15.602 1.00 0.00 C ATOM 830 O GLY A 49 -10.384 3.705 -16.697 1.00 0.00 O ATOM 0 H GLY A 49 -12.288 3.096 -14.449 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.050 3.133 -13.551 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.627 1.800 -14.608 1.00 0.00 H new ATOM 834 N THR A 50 -8.832 4.498 -15.278 1.00 0.00 N ATOM 835 CA THR A 50 -8.277 5.445 -16.225 1.00 0.00 C ATOM 836 C THR A 50 -6.906 4.963 -16.685 1.00 0.00 C ATOM 837 O THR A 50 -5.878 5.289 -16.088 1.00 0.00 O ATOM 838 CB THR A 50 -8.167 6.844 -15.590 1.00 0.00 C ATOM 839 OG1 THR A 50 -9.446 7.228 -15.067 1.00 0.00 O ATOM 840 CG2 THR A 50 -7.702 7.878 -16.604 1.00 0.00 C ATOM 0 H THR A 50 -8.397 4.524 -14.356 1.00 0.00 H new ATOM 0 HA THR A 50 -8.941 5.514 -17.087 1.00 0.00 H new ATOM 0 HB THR A 50 -7.429 6.800 -14.789 1.00 0.00 H new ATOM 0 HG1 THR A 50 -9.380 8.117 -14.660 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.635 8.854 -16.124 1.00 0.00 H new ATOM 0 HG22 THR A 50 -6.722 7.595 -16.989 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.415 7.927 -17.427 1.00 0.00 H new ATOM 848 N GLU A 51 -6.902 4.168 -17.741 1.00 0.00 N ATOM 849 CA GLU A 51 -5.683 3.548 -18.225 1.00 0.00 C ATOM 850 C GLU A 51 -5.162 4.250 -19.469 1.00 0.00 C ATOM 851 O GLU A 51 -5.653 4.029 -20.577 1.00 0.00 O ATOM 852 CB GLU A 51 -5.921 2.066 -18.506 1.00 0.00 C ATOM 853 CG GLU A 51 -6.235 1.260 -17.261 1.00 0.00 C ATOM 854 CD GLU A 51 -5.182 1.426 -16.182 1.00 0.00 C ATOM 855 OE1 GLU A 51 -4.017 1.046 -16.420 1.00 0.00 O ATOM 856 OE2 GLU A 51 -5.511 1.932 -15.090 1.00 0.00 O ATOM 0 H GLU A 51 -7.735 3.936 -18.282 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.924 3.643 -17.448 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.745 1.966 -19.212 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.036 1.648 -18.987 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.205 1.566 -16.868 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.317 0.206 -17.525 1.00 0.00 H new ATOM 863 N LEU A 52 -4.172 5.103 -19.271 1.00 0.00 N ATOM 864 CA LEU A 52 -3.543 5.829 -20.362 1.00 0.00 C ATOM 865 C LEU A 52 -2.065 6.059 -20.062 1.00 0.00 C ATOM 866 O LEU A 52 -1.532 7.146 -20.279 1.00 0.00 O ATOM 867 CB LEU A 52 -4.278 7.154 -20.621 1.00 0.00 C ATOM 868 CG LEU A 52 -4.876 7.851 -19.386 1.00 0.00 C ATOM 869 CD1 LEU A 52 -3.791 8.381 -18.460 1.00 0.00 C ATOM 870 CD2 LEU A 52 -5.803 8.977 -19.816 1.00 0.00 C ATOM 0 H LEU A 52 -3.782 5.312 -18.352 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.611 5.230 -21.270 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.583 7.843 -21.101 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.083 6.966 -21.332 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.450 7.109 -18.830 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.252 8.866 -17.600 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.168 7.554 -18.119 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.175 9.103 -18.997 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.220 9.462 -18.933 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.243 9.707 -20.401 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.612 8.570 -20.423 1.00 0.00 H new ATOM 882 N ASN A 53 -1.413 5.014 -19.564 1.00 0.00 N ATOM 883 CA ASN A 53 -0.005 5.085 -19.178 1.00 0.00 C ATOM 884 C ASN A 53 0.886 5.424 -20.369 1.00 0.00 C ATOM 885 O ASN A 53 1.836 6.196 -20.245 1.00 0.00 O ATOM 886 CB ASN A 53 0.458 3.762 -18.541 1.00 0.00 C ATOM 887 CG ASN A 53 0.376 2.567 -19.483 1.00 0.00 C ATOM 888 OD1 ASN A 53 -0.481 2.503 -20.367 1.00 0.00 O ATOM 889 ND2 ASN A 53 1.274 1.612 -19.304 1.00 0.00 N ATOM 0 H ASN A 53 -1.840 4.100 -19.417 1.00 0.00 H new ATOM 0 HA ASN A 53 0.087 5.884 -18.442 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.487 3.874 -18.199 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.151 3.561 -17.659 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.271 0.790 -19.908 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.969 1.698 -18.562 1.00 0.00 H new TER 896 ASN A 53 ATOM 897 N GLY B 84 21.284 7.253 -16.167 1.00 0.00 N ATOM 898 CA GLY B 84 22.467 6.420 -16.182 1.00 0.00 C ATOM 899 C GLY B 84 22.558 5.529 -14.962 1.00 0.00 C ATOM 900 O GLY B 84 22.530 6.021 -13.834 1.00 0.00 O ATOM 0 HA2 GLY B 84 22.463 5.803 -17.080 1.00 0.00 H new ATOM 0 HA3 GLY B 84 23.353 7.052 -16.234 1.00 0.00 H new ATOM 904 N PRO B 85 22.651 4.208 -15.161 1.00 0.00 N ATOM 905 CA PRO B 85 22.787 3.244 -14.077 1.00 0.00 C ATOM 906 C PRO B 85 24.243 3.069 -13.654 1.00 0.00 C ATOM 907 O PRO B 85 25.102 3.851 -14.066 1.00 0.00 O ATOM 908 CB PRO B 85 22.239 1.967 -14.698 1.00 0.00 C ATOM 909 CG PRO B 85 22.639 2.063 -16.129 1.00 0.00 C ATOM 910 CD PRO B 85 22.631 3.535 -16.475 1.00 0.00 C ATOM 0 HA PRO B 85 22.267 3.547 -13.168 1.00 0.00 H new ATOM 0 HB2 PRO B 85 22.660 1.080 -14.224 1.00 0.00 H new ATOM 0 HB3 PRO B 85 21.156 1.903 -14.589 1.00 0.00 H new ATOM 0 HG2 PRO B 85 23.628 1.632 -16.286 1.00 0.00 H new ATOM 0 HG3 PRO B 85 21.946 1.511 -16.764 1.00 0.00 H new ATOM 0 HD2 PRO B 85 23.497 3.809 -17.077 1.00 0.00 H new ATOM 0 HD3 PRO B 85 21.745 3.806 -17.049 1.00 0.00 H new ATOM 918 N LEU B 86 24.500 2.076 -12.802 1.00 0.00 N ATOM 919 CA LEU B 86 25.857 1.761 -12.342 1.00 0.00 C ATOM 920 C LEU B 86 26.860 1.743 -13.504 1.00 0.00 C ATOM 921 O LEU B 86 26.925 0.793 -14.289 1.00 0.00 O ATOM 922 CB LEU B 86 25.877 0.414 -11.588 1.00 0.00 C ATOM 923 CG LEU B 86 25.649 -0.862 -12.419 1.00 0.00 C ATOM 924 CD1 LEU B 86 25.883 -2.095 -11.562 1.00 0.00 C ATOM 925 CD2 LEU B 86 24.248 -0.898 -13.014 1.00 0.00 C ATOM 0 H LEU B 86 23.779 1.469 -12.412 1.00 0.00 H new ATOM 0 HA LEU B 86 26.162 2.551 -11.655 1.00 0.00 H new ATOM 0 HB2 LEU B 86 26.840 0.322 -11.086 1.00 0.00 H new ATOM 0 HB3 LEU B 86 25.114 0.451 -10.810 1.00 0.00 H new ATOM 0 HG LEU B 86 26.363 -0.855 -13.242 1.00 0.00 H new ATOM 0 HD11 LEU B 86 25.719 -2.991 -12.161 1.00 0.00 H new ATOM 0 HD12 LEU B 86 26.907 -2.090 -11.190 1.00 0.00 H new ATOM 0 HD13 LEU B 86 25.191 -2.090 -10.720 1.00 0.00 H new ATOM 0 HD21 LEU B 86 24.122 -1.812 -13.594 1.00 0.00 H new ATOM 0 HD22 LEU B 86 23.511 -0.873 -12.211 1.00 0.00 H new ATOM 0 HD23 LEU B 86 24.106 -0.034 -13.663 1.00 0.00 H new ATOM 937 N GLY B 87 27.622 2.818 -13.625 1.00 0.00 N ATOM 938 CA GLY B 87 28.569 2.935 -14.712 1.00 0.00 C ATOM 939 C GLY B 87 30.005 2.876 -14.242 1.00 0.00 C ATOM 940 O GLY B 87 30.708 1.896 -14.488 1.00 0.00 O ATOM 0 H GLY B 87 27.601 3.614 -12.987 1.00 0.00 H new ATOM 0 HA2 GLY B 87 28.393 2.134 -15.430 1.00 0.00 H new ATOM 0 HA3 GLY B 87 28.401 3.876 -15.236 1.00 0.00 H new ATOM 944 N SER B 88 30.433 3.922 -13.554 1.00 0.00 N ATOM 945 CA SER B 88 31.811 4.032 -13.109 1.00 0.00 C ATOM 946 C SER B 88 31.996 3.446 -11.711 1.00 0.00 C ATOM 947 O SER B 88 33.029 2.848 -11.414 1.00 0.00 O ATOM 948 CB SER B 88 32.240 5.499 -13.123 1.00 0.00 C ATOM 949 OG SER B 88 32.033 6.076 -14.403 1.00 0.00 O ATOM 0 H SER B 88 29.842 4.710 -13.291 1.00 0.00 H new ATOM 0 HA SER B 88 32.436 3.460 -13.795 1.00 0.00 H new ATOM 0 HB2 SER B 88 31.675 6.054 -12.374 1.00 0.00 H new ATOM 0 HB3 SER B 88 33.293 5.577 -12.851 1.00 0.00 H new ATOM 0 HG SER B 88 32.313 7.015 -14.388 1.00 0.00 H new ATOM 955 N ARG B 89 30.992 3.612 -10.857 1.00 0.00 N ATOM 956 CA ARG B 89 31.108 3.179 -9.471 1.00 0.00 C ATOM 957 C ARG B 89 30.845 1.684 -9.356 1.00 0.00 C ATOM 958 O ARG B 89 31.776 0.904 -9.141 1.00 0.00 O ATOM 959 CB ARG B 89 30.131 3.952 -8.580 1.00 0.00 C ATOM 960 CG ARG B 89 30.173 5.459 -8.772 1.00 0.00 C ATOM 961 CD ARG B 89 31.573 6.024 -8.587 1.00 0.00 C ATOM 962 NE ARG B 89 31.583 7.478 -8.727 1.00 0.00 N ATOM 963 CZ ARG B 89 32.611 8.187 -9.197 1.00 0.00 C ATOM 964 NH1 ARG B 89 33.740 7.587 -9.554 1.00 0.00 N ATOM 965 NH2 ARG B 89 32.507 9.503 -9.302 1.00 0.00 N ATOM 0 H ARG B 89 30.097 4.039 -11.097 1.00 0.00 H new ATOM 0 HA ARG B 89 32.124 3.385 -9.135 1.00 0.00 H new ATOM 0 HB2 ARG B 89 29.119 3.600 -8.779 1.00 0.00 H new ATOM 0 HB3 ARG B 89 30.349 3.724 -7.537 1.00 0.00 H new ATOM 0 HG2 ARG B 89 29.812 5.706 -9.770 1.00 0.00 H new ATOM 0 HG3 ARG B 89 29.495 5.933 -8.062 1.00 0.00 H new ATOM 0 HD2 ARG B 89 31.951 5.749 -7.602 1.00 0.00 H new ATOM 0 HD3 ARG B 89 32.246 5.581 -9.322 1.00 0.00 H new ATOM 0 HE ARG B 89 30.745 7.987 -8.446 1.00 0.00 H new ATOM 0 HH11 ARG B 89 33.828 6.574 -9.470 1.00 0.00 H new ATOM 0 HH12 ARG B 89 34.520 8.139 -9.912 1.00 0.00 H new ATOM 0 HH21 ARG B 89 31.644 9.970 -9.024 1.00 0.00 H new ATOM 0 HH22 ARG B 89 33.290 10.049 -9.661 1.00 0.00 H new ATOM 979 N ARG B 90 29.584 1.291 -9.526 1.00 0.00 N ATOM 980 CA ARG B 90 29.177 -0.113 -9.464 1.00 0.00 C ATOM 981 C ARG B 90 29.441 -0.700 -8.076 1.00 0.00 C ATOM 982 O ARG B 90 29.800 0.026 -7.142 1.00 0.00 O ATOM 983 CB ARG B 90 29.898 -0.936 -10.543 1.00 0.00 C ATOM 984 CG ARG B 90 29.658 -0.431 -11.957 1.00 0.00 C ATOM 985 CD ARG B 90 30.368 -1.292 -12.987 1.00 0.00 C ATOM 986 NE ARG B 90 30.173 -0.790 -14.346 1.00 0.00 N ATOM 987 CZ ARG B 90 29.676 -1.513 -15.351 1.00 0.00 C ATOM 988 NH1 ARG B 90 29.306 -2.774 -15.156 1.00 0.00 N ATOM 989 NH2 ARG B 90 29.546 -0.971 -16.556 1.00 0.00 N ATOM 0 H ARG B 90 28.815 1.936 -9.711 1.00 0.00 H new ATOM 0 HA ARG B 90 28.105 -0.160 -9.654 1.00 0.00 H new ATOM 0 HB2 ARG B 90 30.969 -0.927 -10.340 1.00 0.00 H new ATOM 0 HB3 ARG B 90 29.570 -1.973 -10.476 1.00 0.00 H new ATOM 0 HG2 ARG B 90 28.588 -0.423 -12.164 1.00 0.00 H new ATOM 0 HG3 ARG B 90 30.006 0.598 -12.040 1.00 0.00 H new ATOM 0 HD2 ARG B 90 31.434 -1.323 -12.761 1.00 0.00 H new ATOM 0 HD3 ARG B 90 29.998 -2.315 -12.922 1.00 0.00 H new ATOM 0 HE ARG B 90 30.434 0.177 -14.539 1.00 0.00 H new ATOM 0 HH11 ARG B 90 29.401 -3.196 -14.232 1.00 0.00 H new ATOM 0 HH12 ARG B 90 28.927 -3.320 -15.930 1.00 0.00 H new ATOM 0 HH21 ARG B 90 29.826 -0.003 -16.713 1.00 0.00 H new ATOM 0 HH22 ARG B 90 29.166 -1.523 -17.325 1.00 0.00 H new ATOM 1003 N PHE B 91 29.232 -2.008 -7.942 1.00 0.00 N ATOM 1004 CA PHE B 91 29.504 -2.721 -6.694 1.00 0.00 C ATOM 1005 C PHE B 91 28.729 -2.114 -5.521 1.00 0.00 C ATOM 1006 O PHE B 91 27.651 -1.540 -5.709 1.00 0.00 O ATOM 1007 CB PHE B 91 31.012 -2.721 -6.401 1.00 0.00 C ATOM 1008 CG PHE B 91 31.827 -3.456 -7.427 1.00 0.00 C ATOM 1009 CD1 PHE B 91 32.390 -2.782 -8.500 1.00 0.00 C ATOM 1010 CD2 PHE B 91 32.030 -4.822 -7.318 1.00 0.00 C ATOM 1011 CE1 PHE B 91 33.139 -3.457 -9.443 1.00 0.00 C ATOM 1012 CE2 PHE B 91 32.778 -5.502 -8.258 1.00 0.00 C ATOM 1013 CZ PHE B 91 33.334 -4.818 -9.323 1.00 0.00 C ATOM 0 H PHE B 91 28.872 -2.601 -8.690 1.00 0.00 H new ATOM 0 HA PHE B 91 29.167 -3.750 -6.815 1.00 0.00 H new ATOM 0 HB2 PHE B 91 31.362 -1.690 -6.343 1.00 0.00 H new ATOM 0 HB3 PHE B 91 31.183 -3.172 -5.423 1.00 0.00 H new ATOM 0 HD1 PHE B 91 32.241 -1.717 -8.599 1.00 0.00 H new ATOM 0 HD2 PHE B 91 31.598 -5.361 -6.488 1.00 0.00 H new ATOM 0 HE1 PHE B 91 33.572 -2.920 -10.274 1.00 0.00 H new ATOM 0 HE2 PHE B 91 32.929 -6.567 -8.162 1.00 0.00 H new ATOM 0 HZ PHE B 91 33.920 -5.348 -10.060 1.00 0.00 H new ATOM 1023 N VAL B 92 29.283 -2.245 -4.319 1.00 0.00 N ATOM 1024 CA VAL B 92 28.633 -1.774 -3.098 1.00 0.00 C ATOM 1025 C VAL B 92 28.283 -0.281 -3.169 1.00 0.00 C ATOM 1026 O VAL B 92 27.322 0.168 -2.542 1.00 0.00 O ATOM 1027 CB VAL B 92 29.523 -2.044 -1.860 1.00 0.00 C ATOM 1028 CG1 VAL B 92 30.807 -1.230 -1.912 1.00 0.00 C ATOM 1029 CG2 VAL B 92 28.762 -1.772 -0.573 1.00 0.00 C ATOM 0 H VAL B 92 30.193 -2.679 -4.163 1.00 0.00 H new ATOM 0 HA VAL B 92 27.702 -2.333 -3.001 1.00 0.00 H new ATOM 0 HB VAL B 92 29.798 -3.099 -1.876 1.00 0.00 H new ATOM 0 HG11 VAL B 92 31.409 -1.443 -1.028 1.00 0.00 H new ATOM 0 HG12 VAL B 92 31.370 -1.495 -2.807 1.00 0.00 H new ATOM 0 HG13 VAL B 92 30.564 -0.168 -1.938 1.00 0.00 H new ATOM 0 HG21 VAL B 92 29.410 -1.969 0.281 1.00 0.00 H new ATOM 0 HG22 VAL B 92 28.442 -0.730 -0.553 1.00 0.00 H new ATOM 0 HG23 VAL B 92 27.888 -2.421 -0.523 1.00 0.00 H new ATOM 1039 N VAL B 93 29.044 0.478 -3.949 1.00 0.00 N ATOM 1040 CA VAL B 93 28.815 1.910 -4.069 1.00 0.00 C ATOM 1041 C VAL B 93 27.471 2.182 -4.736 1.00 0.00 C ATOM 1042 O VAL B 93 26.657 2.957 -4.227 1.00 0.00 O ATOM 1043 CB VAL B 93 29.937 2.603 -4.865 1.00 0.00 C ATOM 1044 CG1 VAL B 93 29.726 4.111 -4.897 1.00 0.00 C ATOM 1045 CG2 VAL B 93 31.296 2.262 -4.276 1.00 0.00 C ATOM 0 H VAL B 93 29.823 0.125 -4.506 1.00 0.00 H new ATOM 0 HA VAL B 93 28.810 2.322 -3.060 1.00 0.00 H new ATOM 0 HB VAL B 93 29.905 2.236 -5.891 1.00 0.00 H new ATOM 0 HG11 VAL B 93 30.530 4.579 -5.464 1.00 0.00 H new ATOM 0 HG12 VAL B 93 28.770 4.335 -5.371 1.00 0.00 H new ATOM 0 HG13 VAL B 93 29.726 4.500 -3.879 1.00 0.00 H new ATOM 0 HG21 VAL B 93 32.077 2.760 -4.851 1.00 0.00 H new ATOM 0 HG22 VAL B 93 31.338 2.598 -3.240 1.00 0.00 H new ATOM 0 HG23 VAL B 93 31.449 1.183 -4.315 1.00 0.00 H new ATOM 1055 N ASP B 94 27.225 1.522 -5.860 1.00 0.00 N ATOM 1056 CA ASP B 94 25.966 1.678 -6.560 1.00 0.00 C ATOM 1057 C ASP B 94 24.865 0.863 -5.898 1.00 0.00 C ATOM 1058 O ASP B 94 23.700 1.207 -6.013 1.00 0.00 O ATOM 1059 CB ASP B 94 26.103 1.307 -8.032 1.00 0.00 C ATOM 1060 CG ASP B 94 26.256 2.529 -8.926 1.00 0.00 C ATOM 1061 OD1 ASP B 94 25.256 3.252 -9.133 1.00 0.00 O ATOM 1062 OD2 ASP B 94 27.373 2.767 -9.432 1.00 0.00 O ATOM 0 H ASP B 94 27.880 0.877 -6.302 1.00 0.00 H new ATOM 0 HA ASP B 94 25.687 2.730 -6.504 1.00 0.00 H new ATOM 0 HB2 ASP B 94 26.967 0.655 -8.161 1.00 0.00 H new ATOM 0 HB3 ASP B 94 25.226 0.739 -8.344 1.00 0.00 H new ATOM 1067 N ASP B 95 25.220 -0.205 -5.184 1.00 0.00 N ATOM 1068 CA ASP B 95 24.221 -0.939 -4.394 1.00 0.00 C ATOM 1069 C ASP B 95 23.676 -0.048 -3.295 1.00 0.00 C ATOM 1070 O ASP B 95 22.637 -0.320 -2.716 1.00 0.00 O ATOM 1071 CB ASP B 95 24.787 -2.206 -3.750 1.00 0.00 C ATOM 1072 CG ASP B 95 24.845 -3.391 -4.695 1.00 0.00 C ATOM 1073 OD1 ASP B 95 23.779 -3.970 -5.004 1.00 0.00 O ATOM 1074 OD2 ASP B 95 25.955 -3.770 -5.114 1.00 0.00 O ATOM 0 H ASP B 95 26.168 -0.578 -5.133 1.00 0.00 H new ATOM 0 HA ASP B 95 23.434 -1.234 -5.088 1.00 0.00 H new ATOM 0 HB2 ASP B 95 25.790 -1.998 -3.379 1.00 0.00 H new ATOM 0 HB3 ASP B 95 24.176 -2.469 -2.887 1.00 0.00 H new ATOM 1079 N ARG B 96 24.400 1.013 -3.012 1.00 0.00 N ATOM 1080 CA ARG B 96 24.001 1.971 -1.998 1.00 0.00 C ATOM 1081 C ARG B 96 23.207 3.073 -2.663 1.00 0.00 C ATOM 1082 O ARG B 96 22.026 3.267 -2.385 1.00 0.00 O ATOM 1083 CB ARG B 96 25.228 2.561 -1.308 1.00 0.00 C ATOM 1084 CG ARG B 96 24.902 3.489 -0.151 1.00 0.00 C ATOM 1085 CD ARG B 96 26.152 4.186 0.355 1.00 0.00 C ATOM 1086 NE ARG B 96 27.271 3.255 0.483 1.00 0.00 N ATOM 1087 CZ ARG B 96 28.528 3.552 0.162 1.00 0.00 C ATOM 1088 NH1 ARG B 96 28.855 4.788 -0.200 1.00 0.00 N ATOM 1089 NH2 ARG B 96 29.464 2.614 0.223 1.00 0.00 N ATOM 0 H ARG B 96 25.280 1.238 -3.476 1.00 0.00 H new ATOM 0 HA ARG B 96 23.393 1.471 -1.244 1.00 0.00 H new ATOM 0 HB2 ARG B 96 25.852 1.746 -0.941 1.00 0.00 H new ATOM 0 HB3 ARG B 96 25.817 3.108 -2.044 1.00 0.00 H new ATOM 0 HG2 ARG B 96 24.171 4.232 -0.471 1.00 0.00 H new ATOM 0 HG3 ARG B 96 24.445 2.920 0.659 1.00 0.00 H new ATOM 0 HD2 ARG B 96 26.423 4.990 -0.329 1.00 0.00 H new ATOM 0 HD3 ARG B 96 25.947 4.645 1.322 1.00 0.00 H new ATOM 0 HE ARG B 96 27.077 2.320 0.840 1.00 0.00 H new ATOM 0 HH11 ARG B 96 28.141 5.516 -0.233 1.00 0.00 H new ATOM 0 HH12 ARG B 96 29.820 5.009 -0.445 1.00 0.00 H new ATOM 0 HH21 ARG B 96 29.220 1.668 0.515 1.00 0.00 H new ATOM 0 HH22 ARG B 96 30.428 2.839 -0.022 1.00 0.00 H new ATOM 1103 N ARG B 97 23.891 3.756 -3.574 1.00 0.00 N ATOM 1104 CA ARG B 97 23.324 4.835 -4.373 1.00 0.00 C ATOM 1105 C ARG B 97 21.981 4.437 -4.973 1.00 0.00 C ATOM 1106 O ARG B 97 20.992 5.148 -4.821 1.00 0.00 O ATOM 1107 CB ARG B 97 24.315 5.174 -5.487 1.00 0.00 C ATOM 1108 CG ARG B 97 23.775 6.101 -6.558 1.00 0.00 C ATOM 1109 CD ARG B 97 24.664 6.059 -7.788 1.00 0.00 C ATOM 1110 NE ARG B 97 24.150 6.879 -8.881 1.00 0.00 N ATOM 1111 CZ ARG B 97 24.540 6.746 -10.150 1.00 0.00 C ATOM 1112 NH1 ARG B 97 25.387 5.781 -10.493 1.00 0.00 N ATOM 1113 NH2 ARG B 97 24.055 7.554 -11.085 1.00 0.00 N ATOM 0 H ARG B 97 24.873 3.572 -3.781 1.00 0.00 H new ATOM 0 HA ARG B 97 23.151 5.702 -3.735 1.00 0.00 H new ATOM 0 HB2 ARG B 97 25.198 5.632 -5.041 1.00 0.00 H new ATOM 0 HB3 ARG B 97 24.640 4.247 -5.959 1.00 0.00 H new ATOM 0 HG2 ARG B 97 22.760 5.807 -6.825 1.00 0.00 H new ATOM 0 HG3 ARG B 97 23.722 7.120 -6.174 1.00 0.00 H new ATOM 0 HD2 ARG B 97 25.664 6.402 -7.521 1.00 0.00 H new ATOM 0 HD3 ARG B 97 24.760 5.028 -8.127 1.00 0.00 H new ATOM 0 HE ARG B 97 23.455 7.593 -8.663 1.00 0.00 H new ATOM 0 HH11 ARG B 97 25.742 5.138 -9.785 1.00 0.00 H new ATOM 0 HH12 ARG B 97 25.682 5.683 -11.464 1.00 0.00 H new ATOM 0 HH21 ARG B 97 23.383 8.279 -10.834 1.00 0.00 H new ATOM 0 HH22 ARG B 97 24.355 7.450 -12.054 1.00 0.00 H new ATOM 1127 N GLU B 98 21.960 3.288 -5.633 1.00 0.00 N ATOM 1128 CA GLU B 98 20.780 2.808 -6.338 1.00 0.00 C ATOM 1129 C GLU B 98 19.703 2.280 -5.394 1.00 0.00 C ATOM 1130 O GLU B 98 18.508 2.458 -5.644 1.00 0.00 O ATOM 1131 CB GLU B 98 21.181 1.708 -7.303 1.00 0.00 C ATOM 1132 CG GLU B 98 21.660 2.215 -8.649 1.00 0.00 C ATOM 1133 CD GLU B 98 21.771 1.113 -9.688 1.00 0.00 C ATOM 1134 OE1 GLU B 98 21.973 1.435 -10.881 1.00 0.00 O ATOM 1135 OE2 GLU B 98 21.636 -0.076 -9.323 1.00 0.00 O ATOM 0 H GLU B 98 22.762 2.661 -5.695 1.00 0.00 H new ATOM 0 HA GLU B 98 20.357 3.658 -6.873 1.00 0.00 H new ATOM 0 HB2 GLU B 98 21.971 1.110 -6.849 1.00 0.00 H new ATOM 0 HB3 GLU B 98 20.329 1.046 -7.458 1.00 0.00 H new ATOM 0 HG2 GLU B 98 20.972 2.980 -9.010 1.00 0.00 H new ATOM 0 HG3 GLU B 98 22.632 2.692 -8.527 1.00 0.00 H new ATOM 1142 N LEU B 99 20.116 1.607 -4.333 1.00 0.00 N ATOM 1143 CA LEU B 99 19.171 1.076 -3.366 1.00 0.00 C ATOM 1144 C LEU B 99 18.465 2.220 -2.643 1.00 0.00 C ATOM 1145 O LEU B 99 17.241 2.289 -2.651 1.00 0.00 O ATOM 1146 CB LEU B 99 19.909 0.119 -2.417 1.00 0.00 C ATOM 1147 CG LEU B 99 19.185 -0.398 -1.165 1.00 0.00 C ATOM 1148 CD1 LEU B 99 19.493 0.506 0.011 1.00 0.00 C ATOM 1149 CD2 LEU B 99 17.680 -0.528 -1.379 1.00 0.00 C ATOM 0 H LEU B 99 21.095 1.416 -4.120 1.00 0.00 H new ATOM 0 HA LEU B 99 18.390 0.501 -3.863 1.00 0.00 H new ATOM 0 HB2 LEU B 99 20.217 -0.749 -3.000 1.00 0.00 H new ATOM 0 HB3 LEU B 99 20.819 0.621 -2.087 1.00 0.00 H new ATOM 0 HG LEU B 99 19.554 -1.402 -0.953 1.00 0.00 H new ATOM 0 HD11 LEU B 99 18.978 0.137 0.898 1.00 0.00 H new ATOM 0 HD12 LEU B 99 20.568 0.514 0.192 1.00 0.00 H new ATOM 0 HD13 LEU B 99 19.155 1.518 -0.210 1.00 0.00 H new ATOM 0 HD21 LEU B 99 17.213 -0.897 -0.466 1.00 0.00 H new ATOM 0 HD22 LEU B 99 17.263 0.447 -1.632 1.00 0.00 H new ATOM 0 HD23 LEU B 99 17.487 -1.227 -2.193 1.00 0.00 H new ATOM 1161 N GLN B 100 19.225 3.146 -2.064 1.00 0.00 N ATOM 1162 CA GLN B 100 18.618 4.282 -1.380 1.00 0.00 C ATOM 1163 C GLN B 100 17.834 5.125 -2.381 1.00 0.00 C ATOM 1164 O GLN B 100 16.826 5.744 -2.040 1.00 0.00 O ATOM 1165 CB GLN B 100 19.682 5.127 -0.679 1.00 0.00 C ATOM 1166 CG GLN B 100 20.646 5.828 -1.619 1.00 0.00 C ATOM 1167 CD GLN B 100 21.734 6.578 -0.882 1.00 0.00 C ATOM 1168 OE1 GLN B 100 22.792 6.025 -0.580 1.00 0.00 O ATOM 1169 NE2 GLN B 100 21.486 7.841 -0.584 1.00 0.00 N ATOM 0 H GLN B 100 20.245 3.133 -2.054 1.00 0.00 H new ATOM 0 HA GLN B 100 17.934 3.909 -0.618 1.00 0.00 H new ATOM 0 HB2 GLN B 100 19.185 5.876 -0.063 1.00 0.00 H new ATOM 0 HB3 GLN B 100 20.251 4.487 -0.005 1.00 0.00 H new ATOM 0 HG2 GLN B 100 21.102 5.092 -2.282 1.00 0.00 H new ATOM 0 HG3 GLN B 100 20.092 6.524 -2.249 1.00 0.00 H new ATOM 0 HE21 GLN B 100 20.597 8.263 -0.852 1.00 0.00 H new ATOM 0 HE22 GLN B 100 22.184 8.394 -0.086 1.00 0.00 H new ATOM 1178 N TYR B 101 18.308 5.108 -3.625 1.00 0.00 N ATOM 1179 CA TYR B 101 17.641 5.781 -4.739 1.00 0.00 C ATOM 1180 C TYR B 101 16.172 5.387 -4.824 1.00 0.00 C ATOM 1181 O TYR B 101 15.311 6.247 -4.971 1.00 0.00 O ATOM 1182 CB TYR B 101 18.350 5.447 -6.062 1.00 0.00 C ATOM 1183 CG TYR B 101 17.646 5.958 -7.301 1.00 0.00 C ATOM 1184 CD1 TYR B 101 17.905 7.227 -7.799 1.00 0.00 C ATOM 1185 CD2 TYR B 101 16.733 5.160 -7.980 1.00 0.00 C ATOM 1186 CE1 TYR B 101 17.273 7.690 -8.938 1.00 0.00 C ATOM 1187 CE2 TYR B 101 16.097 5.615 -9.116 1.00 0.00 C ATOM 1188 CZ TYR B 101 16.370 6.878 -9.591 1.00 0.00 C ATOM 1189 OH TYR B 101 15.738 7.332 -10.726 1.00 0.00 O ATOM 0 H TYR B 101 19.167 4.626 -3.890 1.00 0.00 H new ATOM 0 HA TYR B 101 17.695 6.855 -4.562 1.00 0.00 H new ATOM 0 HB2 TYR B 101 19.357 5.863 -6.035 1.00 0.00 H new ATOM 0 HB3 TYR B 101 18.455 4.365 -6.140 1.00 0.00 H new ATOM 0 HD1 TYR B 101 18.612 7.864 -7.288 1.00 0.00 H new ATOM 0 HD2 TYR B 101 16.518 4.168 -7.612 1.00 0.00 H new ATOM 0 HE1 TYR B 101 17.485 8.680 -9.313 1.00 0.00 H new ATOM 0 HE2 TYR B 101 15.388 4.983 -9.631 1.00 0.00 H new ATOM 0 HH TYR B 101 15.134 6.638 -11.064 1.00 0.00 H new ATOM 1199 N ARG B 102 15.888 4.092 -4.720 1.00 0.00 N ATOM 1200 CA ARG B 102 14.517 3.611 -4.867 1.00 0.00 C ATOM 1201 C ARG B 102 13.719 3.795 -3.579 1.00 0.00 C ATOM 1202 O ARG B 102 12.493 3.853 -3.607 1.00 0.00 O ATOM 1203 CB ARG B 102 14.473 2.145 -5.317 1.00 0.00 C ATOM 1204 CG ARG B 102 15.041 1.148 -4.319 1.00 0.00 C ATOM 1205 CD ARG B 102 14.819 -0.278 -4.793 1.00 0.00 C ATOM 1206 NE ARG B 102 15.396 -1.273 -3.887 1.00 0.00 N ATOM 1207 CZ ARG B 102 14.680 -2.017 -3.040 1.00 0.00 C ATOM 1208 NH1 ARG B 102 13.375 -1.819 -2.910 1.00 0.00 N ATOM 1209 NH2 ARG B 102 15.278 -2.958 -2.319 1.00 0.00 N ATOM 0 H ARG B 102 16.579 3.364 -4.537 1.00 0.00 H new ATOM 0 HA ARG B 102 14.054 4.216 -5.646 1.00 0.00 H new ATOM 0 HB2 ARG B 102 13.438 1.876 -5.527 1.00 0.00 H new ATOM 0 HB3 ARG B 102 15.023 2.052 -6.254 1.00 0.00 H new ATOM 0 HG2 ARG B 102 16.107 1.329 -4.184 1.00 0.00 H new ATOM 0 HG3 ARG B 102 14.568 1.290 -3.347 1.00 0.00 H new ATOM 0 HD2 ARG B 102 13.749 -0.461 -4.892 1.00 0.00 H new ATOM 0 HD3 ARG B 102 15.256 -0.399 -5.784 1.00 0.00 H new ATOM 0 HE ARG B 102 16.407 -1.406 -3.904 1.00 0.00 H new ATOM 0 HH11 ARG B 102 12.912 -1.095 -3.459 1.00 0.00 H new ATOM 0 HH12 ARG B 102 12.835 -2.391 -2.261 1.00 0.00 H new ATOM 0 HH21 ARG B 102 16.282 -3.111 -2.413 1.00 0.00 H new ATOM 0 HH22 ARG B 102 14.733 -3.528 -1.671 1.00 0.00 H new ATOM 1223 N VAL B 103 14.409 3.909 -2.456 1.00 0.00 N ATOM 1224 CA VAL B 103 13.736 4.062 -1.173 1.00 0.00 C ATOM 1225 C VAL B 103 13.127 5.461 -1.045 1.00 0.00 C ATOM 1226 O VAL B 103 11.993 5.614 -0.583 1.00 0.00 O ATOM 1227 CB VAL B 103 14.693 3.803 0.010 1.00 0.00 C ATOM 1228 CG1 VAL B 103 13.917 3.659 1.301 1.00 0.00 C ATOM 1229 CG2 VAL B 103 15.539 2.563 -0.224 1.00 0.00 C ATOM 0 H VAL B 103 15.428 3.899 -2.404 1.00 0.00 H new ATOM 0 HA VAL B 103 12.941 3.317 -1.137 1.00 0.00 H new ATOM 0 HB VAL B 103 15.359 4.663 0.088 1.00 0.00 H new ATOM 0 HG11 VAL B 103 14.609 3.477 2.123 1.00 0.00 H new ATOM 0 HG12 VAL B 103 13.358 4.575 1.493 1.00 0.00 H new ATOM 0 HG13 VAL B 103 13.224 2.822 1.218 1.00 0.00 H new ATOM 0 HG21 VAL B 103 16.202 2.409 0.627 1.00 0.00 H new ATOM 0 HG22 VAL B 103 14.889 1.696 -0.340 1.00 0.00 H new ATOM 0 HG23 VAL B 103 16.134 2.694 -1.128 1.00 0.00 H new ATOM 1239 N GLU B 104 13.876 6.477 -1.467 1.00 0.00 N ATOM 1240 CA GLU B 104 13.397 7.857 -1.407 1.00 0.00 C ATOM 1241 C GLU B 104 12.258 8.101 -2.394 1.00 0.00 C ATOM 1242 O GLU B 104 11.277 8.759 -2.050 1.00 0.00 O ATOM 1243 CB GLU B 104 14.542 8.847 -1.650 1.00 0.00 C ATOM 1244 CG GLU B 104 15.326 8.544 -2.899 1.00 0.00 C ATOM 1245 CD GLU B 104 15.303 9.680 -3.892 1.00 0.00 C ATOM 1246 OE1 GLU B 104 16.305 10.419 -3.975 1.00 0.00 O ATOM 1247 OE2 GLU B 104 14.286 9.839 -4.596 1.00 0.00 O ATOM 0 H GLU B 104 14.814 6.372 -1.853 1.00 0.00 H new ATOM 0 HA GLU B 104 13.007 8.021 -0.403 1.00 0.00 H new ATOM 0 HB2 GLU B 104 14.134 9.856 -1.719 1.00 0.00 H new ATOM 0 HB3 GLU B 104 15.215 8.833 -0.793 1.00 0.00 H new ATOM 0 HG2 GLU B 104 16.359 8.323 -2.630 1.00 0.00 H new ATOM 0 HG3 GLU B 104 14.921 7.648 -3.369 1.00 0.00 H new ATOM 1254 N VAL B 105 12.371 7.571 -3.610 1.00 0.00 N ATOM 1255 CA VAL B 105 11.286 7.696 -4.573 1.00 0.00 C ATOM 1256 C VAL B 105 10.037 7.009 -4.044 1.00 0.00 C ATOM 1257 O VAL B 105 8.941 7.515 -4.213 1.00 0.00 O ATOM 1258 CB VAL B 105 11.661 7.169 -5.987 1.00 0.00 C ATOM 1259 CG1 VAL B 105 12.573 5.970 -5.908 1.00 0.00 C ATOM 1260 CG2 VAL B 105 10.434 6.813 -6.797 1.00 0.00 C ATOM 0 H VAL B 105 13.188 7.060 -3.945 1.00 0.00 H new ATOM 0 HA VAL B 105 11.086 8.761 -4.694 1.00 0.00 H new ATOM 0 HB VAL B 105 12.187 7.981 -6.488 1.00 0.00 H new ATOM 0 HG11 VAL B 105 12.814 5.629 -6.915 1.00 0.00 H new ATOM 0 HG12 VAL B 105 13.491 6.245 -5.389 1.00 0.00 H new ATOM 0 HG13 VAL B 105 12.074 5.169 -5.363 1.00 0.00 H new ATOM 0 HG21 VAL B 105 10.739 6.449 -7.778 1.00 0.00 H new ATOM 0 HG22 VAL B 105 9.870 6.036 -6.281 1.00 0.00 H new ATOM 0 HG23 VAL B 105 9.808 7.697 -6.916 1.00 0.00 H new ATOM 1270 N GLN B 106 10.207 5.888 -3.355 1.00 0.00 N ATOM 1271 CA GLN B 106 9.074 5.219 -2.730 1.00 0.00 C ATOM 1272 C GLN B 106 8.372 6.147 -1.742 1.00 0.00 C ATOM 1273 O GLN B 106 7.149 6.217 -1.722 1.00 0.00 O ATOM 1274 CB GLN B 106 9.516 3.926 -2.044 1.00 0.00 C ATOM 1275 CG GLN B 106 9.710 2.772 -3.011 1.00 0.00 C ATOM 1276 CD GLN B 106 8.438 2.417 -3.760 1.00 0.00 C ATOM 1277 OE1 GLN B 106 7.650 1.587 -3.306 1.00 0.00 O ATOM 1278 NE2 GLN B 106 8.229 3.036 -4.914 1.00 0.00 N ATOM 0 H GLN B 106 11.107 5.428 -3.216 1.00 0.00 H new ATOM 0 HA GLN B 106 8.361 4.959 -3.513 1.00 0.00 H new ATOM 0 HB2 GLN B 106 10.450 4.106 -1.511 1.00 0.00 H new ATOM 0 HB3 GLN B 106 8.772 3.645 -1.298 1.00 0.00 H new ATOM 0 HG2 GLN B 106 10.489 3.031 -3.728 1.00 0.00 H new ATOM 0 HG3 GLN B 106 10.060 1.898 -2.462 1.00 0.00 H new ATOM 0 HE21 GLN B 106 8.906 3.718 -5.257 1.00 0.00 H new ATOM 0 HE22 GLN B 106 7.392 2.830 -5.459 1.00 0.00 H new ATOM 1287 N ASN B 107 9.146 6.878 -0.945 1.00 0.00 N ATOM 1288 CA ASN B 107 8.578 7.884 -0.044 1.00 0.00 C ATOM 1289 C ASN B 107 7.821 8.954 -0.835 1.00 0.00 C ATOM 1290 O ASN B 107 6.700 9.324 -0.493 1.00 0.00 O ATOM 1291 CB ASN B 107 9.672 8.540 0.808 1.00 0.00 C ATOM 1292 CG ASN B 107 9.217 9.862 1.408 1.00 0.00 C ATOM 1293 OD1 ASN B 107 9.454 10.928 0.839 1.00 0.00 O ATOM 1294 ND2 ASN B 107 8.535 9.802 2.540 1.00 0.00 N ATOM 0 H ASN B 107 10.162 6.796 -0.902 1.00 0.00 H new ATOM 0 HA ASN B 107 7.879 7.377 0.621 1.00 0.00 H new ATOM 0 HB2 ASN B 107 9.963 7.860 1.609 1.00 0.00 H new ATOM 0 HB3 ASN B 107 10.557 8.707 0.194 1.00 0.00 H new ATOM 0 HD21 ASN B 107 8.186 10.658 2.971 1.00 0.00 H new ATOM 0 HD22 ASN B 107 8.359 8.900 2.982 1.00 0.00 H new ATOM 1301 N ARG B 108 8.445 9.423 -1.904 1.00 0.00 N ATOM 1302 CA ARG B 108 7.900 10.501 -2.724 1.00 0.00 C ATOM 1303 C ARG B 108 6.629 10.075 -3.461 1.00 0.00 C ATOM 1304 O ARG B 108 5.614 10.773 -3.421 1.00 0.00 O ATOM 1305 CB ARG B 108 8.973 10.951 -3.713 1.00 0.00 C ATOM 1306 CG ARG B 108 10.180 11.579 -3.031 1.00 0.00 C ATOM 1307 CD ARG B 108 11.406 11.584 -3.928 1.00 0.00 C ATOM 1308 NE ARG B 108 11.205 12.375 -5.136 1.00 0.00 N ATOM 1309 CZ ARG B 108 12.088 12.454 -6.129 1.00 0.00 C ATOM 1310 NH1 ARG B 108 13.215 11.752 -6.089 1.00 0.00 N ATOM 1311 NH2 ARG B 108 11.836 13.228 -7.175 1.00 0.00 N ATOM 0 H ARG B 108 9.344 9.069 -2.230 1.00 0.00 H new ATOM 0 HA ARG B 108 7.619 11.329 -2.073 1.00 0.00 H new ATOM 0 HB2 ARG B 108 9.300 10.094 -4.302 1.00 0.00 H new ATOM 0 HB3 ARG B 108 8.540 11.670 -4.409 1.00 0.00 H new ATOM 0 HG2 ARG B 108 9.940 12.602 -2.740 1.00 0.00 H new ATOM 0 HG3 ARG B 108 10.404 11.032 -2.115 1.00 0.00 H new ATOM 0 HD2 ARG B 108 12.257 11.981 -3.374 1.00 0.00 H new ATOM 0 HD3 ARG B 108 11.655 10.560 -4.205 1.00 0.00 H new ATOM 0 HE ARG B 108 10.335 12.900 -5.226 1.00 0.00 H new ATOM 0 HH11 ARG B 108 13.410 11.146 -5.292 1.00 0.00 H new ATOM 0 HH12 ARG B 108 13.885 11.819 -6.855 1.00 0.00 H new ATOM 0 HH21 ARG B 108 10.967 13.761 -7.218 1.00 0.00 H new ATOM 0 HH22 ARG B 108 12.511 13.291 -7.937 1.00 0.00 H new ATOM 1325 N VAL B 109 6.694 8.931 -4.125 1.00 0.00 N ATOM 1326 CA VAL B 109 5.562 8.387 -4.871 1.00 0.00 C ATOM 1327 C VAL B 109 4.361 8.156 -3.964 1.00 0.00 C ATOM 1328 O VAL B 109 3.234 8.502 -4.313 1.00 0.00 O ATOM 1329 CB VAL B 109 5.939 7.061 -5.562 1.00 0.00 C ATOM 1330 CG1 VAL B 109 4.756 6.474 -6.317 1.00 0.00 C ATOM 1331 CG2 VAL B 109 7.110 7.276 -6.499 1.00 0.00 C ATOM 0 H VAL B 109 7.532 8.351 -4.164 1.00 0.00 H new ATOM 0 HA VAL B 109 5.296 9.123 -5.629 1.00 0.00 H new ATOM 0 HB VAL B 109 6.228 6.348 -4.790 1.00 0.00 H new ATOM 0 HG11 VAL B 109 5.055 5.540 -6.793 1.00 0.00 H new ATOM 0 HG12 VAL B 109 3.939 6.282 -5.621 1.00 0.00 H new ATOM 0 HG13 VAL B 109 4.425 7.179 -7.079 1.00 0.00 H new ATOM 0 HG21 VAL B 109 7.368 6.333 -6.982 1.00 0.00 H new ATOM 0 HG22 VAL B 109 6.839 8.010 -7.258 1.00 0.00 H new ATOM 0 HG23 VAL B 109 7.967 7.640 -5.933 1.00 0.00 H new ATOM 1341 N TYR B 110 4.615 7.592 -2.793 1.00 0.00 N ATOM 1342 CA TYR B 110 3.554 7.302 -1.838 1.00 0.00 C ATOM 1343 C TYR B 110 2.872 8.584 -1.377 1.00 0.00 C ATOM 1344 O TYR B 110 1.663 8.609 -1.141 1.00 0.00 O ATOM 1345 CB TYR B 110 4.110 6.546 -0.633 1.00 0.00 C ATOM 1346 CG TYR B 110 4.494 5.109 -0.906 1.00 0.00 C ATOM 1347 CD1 TYR B 110 4.864 4.274 0.137 1.00 0.00 C ATOM 1348 CD2 TYR B 110 4.485 4.584 -2.194 1.00 0.00 C ATOM 1349 CE1 TYR B 110 5.217 2.962 -0.091 1.00 0.00 C ATOM 1350 CE2 TYR B 110 4.836 3.271 -2.429 1.00 0.00 C ATOM 1351 CZ TYR B 110 5.201 2.466 -1.372 1.00 0.00 C ATOM 1352 OH TYR B 110 5.558 1.157 -1.599 1.00 0.00 O ATOM 0 H TYR B 110 5.548 7.325 -2.480 1.00 0.00 H new ATOM 0 HA TYR B 110 2.815 6.676 -2.338 1.00 0.00 H new ATOM 0 HB2 TYR B 110 4.987 7.077 -0.262 1.00 0.00 H new ATOM 0 HB3 TYR B 110 3.366 6.563 0.163 1.00 0.00 H new ATOM 0 HD1 TYR B 110 4.876 4.659 1.146 1.00 0.00 H new ATOM 0 HD2 TYR B 110 4.199 5.214 -3.023 1.00 0.00 H new ATOM 0 HE1 TYR B 110 5.505 2.326 0.733 1.00 0.00 H new ATOM 0 HE2 TYR B 110 4.825 2.877 -3.434 1.00 0.00 H new ATOM 0 HH TYR B 110 6.245 1.122 -2.297 1.00 0.00 H new ATOM 1362 N LYS B 111 3.653 9.651 -1.258 1.00 0.00 N ATOM 1363 CA LYS B 111 3.120 10.953 -0.888 1.00 0.00 C ATOM 1364 C LYS B 111 2.150 11.433 -1.960 1.00 0.00 C ATOM 1365 O LYS B 111 1.093 11.987 -1.661 1.00 0.00 O ATOM 1366 CB LYS B 111 4.264 11.959 -0.707 1.00 0.00 C ATOM 1367 CG LYS B 111 3.819 13.335 -0.239 1.00 0.00 C ATOM 1368 CD LYS B 111 3.126 13.274 1.115 1.00 0.00 C ATOM 1369 CE LYS B 111 2.781 14.662 1.627 1.00 0.00 C ATOM 1370 NZ LYS B 111 1.962 15.425 0.648 1.00 0.00 N ATOM 0 H LYS B 111 4.661 9.638 -1.413 1.00 0.00 H new ATOM 0 HA LYS B 111 2.585 10.868 0.058 1.00 0.00 H new ATOM 0 HB2 LYS B 111 4.976 11.556 0.013 1.00 0.00 H new ATOM 0 HB3 LYS B 111 4.793 12.064 -1.654 1.00 0.00 H new ATOM 0 HG2 LYS B 111 4.684 13.995 -0.175 1.00 0.00 H new ATOM 0 HG3 LYS B 111 3.142 13.768 -0.975 1.00 0.00 H new ATOM 0 HD2 LYS B 111 2.216 12.679 1.033 1.00 0.00 H new ATOM 0 HD3 LYS B 111 3.773 12.770 1.834 1.00 0.00 H new ATOM 0 HE2 LYS B 111 2.237 14.577 2.568 1.00 0.00 H new ATOM 0 HE3 LYS B 111 3.699 15.210 1.838 1.00 0.00 H new ATOM 0 HZ1 LYS B 111 1.592 16.285 1.101 1.00 0.00 H new ATOM 0 HZ2 LYS B 111 2.552 15.689 -0.167 1.00 0.00 H new ATOM 0 HZ3 LYS B 111 1.169 14.835 0.324 1.00 0.00 H new ATOM 1384 N LYS B 112 2.513 11.177 -3.208 1.00 0.00 N ATOM 1385 CA LYS B 112 1.689 11.542 -4.352 1.00 0.00 C ATOM 1386 C LYS B 112 0.403 10.716 -4.389 1.00 0.00 C ATOM 1387 O LYS B 112 -0.643 11.202 -4.829 1.00 0.00 O ATOM 1388 CB LYS B 112 2.492 11.354 -5.640 1.00 0.00 C ATOM 1389 CG LYS B 112 3.624 12.360 -5.788 1.00 0.00 C ATOM 1390 CD LYS B 112 4.750 11.835 -6.668 1.00 0.00 C ATOM 1391 CE LYS B 112 4.255 11.393 -8.032 1.00 0.00 C ATOM 1392 NZ LYS B 112 5.364 10.896 -8.886 1.00 0.00 N ATOM 0 H LYS B 112 3.386 10.711 -3.457 1.00 0.00 H new ATOM 0 HA LYS B 112 1.403 12.590 -4.259 1.00 0.00 H new ATOM 0 HB2 LYS B 112 2.905 10.345 -5.660 1.00 0.00 H new ATOM 0 HB3 LYS B 112 1.822 11.441 -6.495 1.00 0.00 H new ATOM 0 HG2 LYS B 112 3.233 13.284 -6.214 1.00 0.00 H new ATOM 0 HG3 LYS B 112 4.020 12.606 -4.803 1.00 0.00 H new ATOM 0 HD2 LYS B 112 5.504 12.612 -6.792 1.00 0.00 H new ATOM 0 HD3 LYS B 112 5.236 10.996 -6.171 1.00 0.00 H new ATOM 0 HE2 LYS B 112 3.509 10.607 -7.911 1.00 0.00 H new ATOM 0 HE3 LYS B 112 3.761 12.228 -8.528 1.00 0.00 H new ATOM 0 HZ1 LYS B 112 4.986 10.603 -9.810 1.00 0.00 H new ATOM 0 HZ2 LYS B 112 6.064 11.653 -9.022 1.00 0.00 H new ATOM 0 HZ3 LYS B 112 5.820 10.083 -8.425 1.00 0.00 H new ATOM 1406 N GLU B 113 0.484 9.473 -3.914 1.00 0.00 N ATOM 1407 CA GLU B 113 -0.692 8.608 -3.831 1.00 0.00 C ATOM 1408 C GLU B 113 -1.705 9.185 -2.860 1.00 0.00 C ATOM 1409 O GLU B 113 -2.897 9.226 -3.148 1.00 0.00 O ATOM 1410 CB GLU B 113 -0.321 7.191 -3.386 1.00 0.00 C ATOM 1411 CG GLU B 113 0.649 6.494 -4.320 1.00 0.00 C ATOM 1412 CD GLU B 113 0.654 4.988 -4.150 1.00 0.00 C ATOM 1413 OE1 GLU B 113 1.536 4.460 -3.445 1.00 0.00 O ATOM 1414 OE2 GLU B 113 -0.225 4.318 -4.734 1.00 0.00 O ATOM 0 H GLU B 113 1.348 9.044 -3.582 1.00 0.00 H new ATOM 0 HA GLU B 113 -1.125 8.555 -4.830 1.00 0.00 H new ATOM 0 HB2 GLU B 113 0.117 7.236 -2.389 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -1.230 6.594 -3.309 1.00 0.00 H new ATOM 0 HG2 GLU B 113 0.391 6.737 -5.351 1.00 0.00 H new ATOM 0 HG3 GLU B 113 1.654 6.878 -4.144 1.00 0.00 H new ATOM 1421 N ILE B 114 -1.220 9.634 -1.711 1.00 0.00 N ATOM 1422 CA ILE B 114 -2.076 10.210 -0.687 1.00 0.00 C ATOM 1423 C ILE B 114 -2.810 11.443 -1.200 1.00 0.00 C ATOM 1424 O ILE B 114 -3.975 11.656 -0.883 1.00 0.00 O ATOM 1425 CB ILE B 114 -1.255 10.574 0.557 1.00 0.00 C ATOM 1426 CG1 ILE B 114 -0.585 9.315 1.100 1.00 0.00 C ATOM 1427 CG2 ILE B 114 -2.137 11.233 1.610 1.00 0.00 C ATOM 1428 CD1 ILE B 114 0.313 9.567 2.282 1.00 0.00 C ATOM 0 H ILE B 114 -0.230 9.609 -1.465 1.00 0.00 H new ATOM 0 HA ILE B 114 -2.819 9.458 -0.421 1.00 0.00 H new ATOM 0 HB ILE B 114 -0.483 11.294 0.287 1.00 0.00 H new ATOM 0 HG12 ILE B 114 -1.356 8.599 1.387 1.00 0.00 H new ATOM 0 HG13 ILE B 114 -0.001 8.853 0.304 1.00 0.00 H new ATOM 0 HG21 ILE B 114 -1.535 11.483 2.484 1.00 0.00 H new ATOM 0 HG22 ILE B 114 -2.576 12.142 1.200 1.00 0.00 H new ATOM 0 HG23 ILE B 114 -2.931 10.546 1.901 1.00 0.00 H new ATOM 0 HD11 ILE B 114 0.753 8.626 2.612 1.00 0.00 H new ATOM 0 HD12 ILE B 114 1.106 10.258 1.996 1.00 0.00 H new ATOM 0 HD13 ILE B 114 -0.269 10.000 3.095 1.00 0.00 H new ATOM 1440 N GLN B 115 -2.125 12.241 -2.002 1.00 0.00 N ATOM 1441 CA GLN B 115 -2.723 13.433 -2.588 1.00 0.00 C ATOM 1442 C GLN B 115 -3.849 13.046 -3.536 1.00 0.00 C ATOM 1443 O GLN B 115 -4.898 13.688 -3.572 1.00 0.00 O ATOM 1444 CB GLN B 115 -1.661 14.229 -3.324 1.00 0.00 C ATOM 1445 CG GLN B 115 -0.435 14.480 -2.473 1.00 0.00 C ATOM 1446 CD GLN B 115 0.573 15.373 -3.159 1.00 0.00 C ATOM 1447 OE1 GLN B 115 1.481 14.897 -3.839 1.00 0.00 O ATOM 1448 NE2 GLN B 115 0.417 16.674 -2.991 1.00 0.00 N ATOM 0 H GLN B 115 -1.151 12.086 -2.264 1.00 0.00 H new ATOM 0 HA GLN B 115 -3.141 14.051 -1.793 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -1.370 13.693 -4.227 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -2.081 15.183 -3.642 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -0.738 14.937 -1.531 1.00 0.00 H new ATOM 0 HG3 GLN B 115 0.035 13.527 -2.229 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -0.350 17.026 -2.418 1.00 0.00 H new ATOM 0 HE22 GLN B 115 1.064 17.327 -3.434 1.00 0.00 H new ATOM 1457 N ALA B 116 -3.622 11.988 -4.298 1.00 0.00 N ATOM 1458 CA ALA B 116 -4.656 11.428 -5.159 1.00 0.00 C ATOM 1459 C ALA B 116 -5.801 10.894 -4.306 1.00 0.00 C ATOM 1460 O ALA B 116 -6.973 11.185 -4.548 1.00 0.00 O ATOM 1461 CB ALA B 116 -4.078 10.318 -6.024 1.00 0.00 C ATOM 0 H ALA B 116 -2.729 11.497 -4.339 1.00 0.00 H new ATOM 0 HA ALA B 116 -5.037 12.211 -5.814 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -4.861 9.909 -6.662 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -3.277 10.720 -6.645 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -3.681 9.529 -5.386 1.00 0.00 H new ATOM 1467 N LEU B 117 -5.425 10.143 -3.280 1.00 0.00 N ATOM 1468 CA LEU B 117 -6.365 9.576 -2.319 1.00 0.00 C ATOM 1469 C LEU B 117 -7.197 10.663 -1.653 1.00 0.00 C ATOM 1470 O LEU B 117 -8.346 10.438 -1.298 1.00 0.00 O ATOM 1471 CB LEU B 117 -5.595 8.794 -1.252 1.00 0.00 C ATOM 1472 CG LEU B 117 -5.477 7.277 -1.457 1.00 0.00 C ATOM 1473 CD1 LEU B 117 -5.459 6.900 -2.929 1.00 0.00 C ATOM 1474 CD2 LEU B 117 -4.213 6.768 -0.791 1.00 0.00 C ATOM 0 H LEU B 117 -4.451 9.907 -3.088 1.00 0.00 H new ATOM 0 HA LEU B 117 -7.041 8.910 -2.855 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -4.589 9.208 -1.188 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -6.074 8.971 -0.289 1.00 0.00 H new ATOM 0 HG LEU B 117 -6.355 6.815 -1.005 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -5.374 5.818 -3.026 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -6.382 7.236 -3.402 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -4.608 7.376 -3.416 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -4.132 5.691 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -3.346 7.260 -1.231 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -4.251 6.986 0.276 1.00 0.00 H new ATOM 1486 N ASP B 118 -6.611 11.841 -1.495 1.00 0.00 N ATOM 1487 CA ASP B 118 -7.290 12.959 -0.849 1.00 0.00 C ATOM 1488 C ASP B 118 -8.467 13.441 -1.699 1.00 0.00 C ATOM 1489 O ASP B 118 -9.480 13.917 -1.175 1.00 0.00 O ATOM 1490 CB ASP B 118 -6.298 14.096 -0.594 1.00 0.00 C ATOM 1491 CG ASP B 118 -6.891 15.225 0.222 1.00 0.00 C ATOM 1492 OD1 ASP B 118 -7.283 16.254 -0.366 1.00 0.00 O ATOM 1493 OD2 ASP B 118 -6.949 15.099 1.463 1.00 0.00 O ATOM 0 H ASP B 118 -5.662 12.050 -1.806 1.00 0.00 H new ATOM 0 HA ASP B 118 -7.687 12.623 0.109 1.00 0.00 H new ATOM 0 HB2 ASP B 118 -5.425 13.700 -0.076 1.00 0.00 H new ATOM 0 HB3 ASP B 118 -5.950 14.489 -1.549 1.00 0.00 H new ATOM 1498 N ALA B 119 -8.346 13.292 -3.012 1.00 0.00 N ATOM 1499 CA ALA B 119 -9.454 13.579 -3.910 1.00 0.00 C ATOM 1500 C ALA B 119 -10.544 12.533 -3.713 1.00 0.00 C ATOM 1501 O ALA B 119 -11.738 12.844 -3.662 1.00 0.00 O ATOM 1502 CB ALA B 119 -8.982 13.609 -5.354 1.00 0.00 C ATOM 0 H ALA B 119 -7.495 12.975 -3.476 1.00 0.00 H new ATOM 0 HA ALA B 119 -9.860 14.563 -3.678 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -9.826 13.825 -6.008 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -8.223 14.383 -5.473 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -8.557 12.641 -5.618 1.00 0.00 H new ATOM 1508 N GLU B 120 -10.116 11.287 -3.571 1.00 0.00 N ATOM 1509 CA GLU B 120 -11.019 10.208 -3.250 1.00 0.00 C ATOM 1510 C GLU B 120 -11.631 10.412 -1.864 1.00 0.00 C ATOM 1511 O GLU B 120 -12.717 9.934 -1.582 1.00 0.00 O ATOM 1512 CB GLU B 120 -10.296 8.872 -3.316 1.00 0.00 C ATOM 1513 CG GLU B 120 -10.191 8.257 -4.705 1.00 0.00 C ATOM 1514 CD GLU B 120 -9.377 9.072 -5.686 1.00 0.00 C ATOM 1515 OE1 GLU B 120 -9.937 10.007 -6.299 1.00 0.00 O ATOM 1516 OE2 GLU B 120 -8.189 8.755 -5.882 1.00 0.00 O ATOM 0 H GLU B 120 -9.142 11.004 -3.675 1.00 0.00 H new ATOM 0 HA GLU B 120 -11.823 10.205 -3.985 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -9.290 9.002 -2.917 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -10.809 8.167 -2.662 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -9.747 7.265 -4.618 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -11.195 8.123 -5.107 1.00 0.00 H new ATOM 1523 N ILE B 121 -10.916 11.098 -0.984 1.00 0.00 N ATOM 1524 CA ILE B 121 -11.471 11.456 0.315 1.00 0.00 C ATOM 1525 C ILE B 121 -12.791 12.205 0.140 1.00 0.00 C ATOM 1526 O ILE B 121 -13.700 12.056 0.951 1.00 0.00 O ATOM 1527 CB ILE B 121 -10.472 12.285 1.175 1.00 0.00 C ATOM 1528 CG1 ILE B 121 -9.830 11.404 2.253 1.00 0.00 C ATOM 1529 CG2 ILE B 121 -11.140 13.497 1.818 1.00 0.00 C ATOM 1530 CD1 ILE B 121 -8.998 10.265 1.709 1.00 0.00 C ATOM 0 H ILE B 121 -9.960 11.416 -1.142 1.00 0.00 H new ATOM 0 HA ILE B 121 -11.660 10.529 0.856 1.00 0.00 H new ATOM 0 HB ILE B 121 -9.696 12.652 0.503 1.00 0.00 H new ATOM 0 HG12 ILE B 121 -9.201 12.027 2.888 1.00 0.00 H new ATOM 0 HG13 ILE B 121 -10.616 10.994 2.887 1.00 0.00 H new ATOM 0 HG21 ILE B 121 -10.407 14.046 2.408 1.00 0.00 H new ATOM 0 HG22 ILE B 121 -11.540 14.147 1.040 1.00 0.00 H new ATOM 0 HG23 ILE B 121 -11.951 13.164 2.465 1.00 0.00 H new ATOM 0 HD11 ILE B 121 -8.580 9.692 2.537 1.00 0.00 H new ATOM 0 HD12 ILE B 121 -9.625 9.616 1.098 1.00 0.00 H new ATOM 0 HD13 ILE B 121 -8.188 10.665 1.099 1.00 0.00 H new ATOM 1542 N ARG B 122 -12.911 12.978 -0.938 1.00 0.00 N ATOM 1543 CA ARG B 122 -14.158 13.683 -1.213 1.00 0.00 C ATOM 1544 C ARG B 122 -15.300 12.700 -1.475 1.00 0.00 C ATOM 1545 O ARG B 122 -16.395 12.867 -0.937 1.00 0.00 O ATOM 1546 CB ARG B 122 -14.022 14.648 -2.395 1.00 0.00 C ATOM 1547 CG ARG B 122 -15.293 15.445 -2.660 1.00 0.00 C ATOM 1548 CD ARG B 122 -15.666 16.310 -1.463 1.00 0.00 C ATOM 1549 NE ARG B 122 -17.073 16.702 -1.482 1.00 0.00 N ATOM 1550 CZ ARG B 122 -17.838 16.775 -0.391 1.00 0.00 C ATOM 1551 NH1 ARG B 122 -17.319 16.533 0.811 1.00 0.00 N ATOM 1552 NH2 ARG B 122 -19.120 17.099 -0.503 1.00 0.00 N ATOM 0 H ARG B 122 -12.172 13.130 -1.624 1.00 0.00 H new ATOM 0 HA ARG B 122 -14.390 14.268 -0.323 1.00 0.00 H new ATOM 0 HB2 ARG B 122 -13.201 15.338 -2.201 1.00 0.00 H new ATOM 0 HB3 ARG B 122 -13.760 14.084 -3.290 1.00 0.00 H new ATOM 0 HG2 ARG B 122 -15.152 16.076 -3.537 1.00 0.00 H new ATOM 0 HG3 ARG B 122 -16.112 14.762 -2.887 1.00 0.00 H new ATOM 0 HD2 ARG B 122 -15.455 15.765 -0.543 1.00 0.00 H new ATOM 0 HD3 ARG B 122 -15.042 17.204 -1.454 1.00 0.00 H new ATOM 0 HE ARG B 122 -17.495 16.933 -2.381 1.00 0.00 H new ATOM 0 HH11 ARG B 122 -16.332 16.290 0.901 1.00 0.00 H new ATOM 0 HH12 ARG B 122 -17.908 16.590 1.642 1.00 0.00 H new ATOM 0 HH21 ARG B 122 -19.519 17.292 -1.422 1.00 0.00 H new ATOM 0 HH22 ARG B 122 -19.706 17.155 0.330 1.00 0.00 H new ATOM 1566 N LYS B 123 -15.053 11.677 -2.298 1.00 0.00 N ATOM 1567 CA LYS B 123 -16.083 10.657 -2.550 1.00 0.00 C ATOM 1568 C LYS B 123 -16.457 9.974 -1.243 1.00 0.00 C ATOM 1569 O LYS B 123 -17.619 9.642 -1.004 1.00 0.00 O ATOM 1570 CB LYS B 123 -15.617 9.614 -3.582 1.00 0.00 C ATOM 1571 CG LYS B 123 -14.632 8.583 -3.049 1.00 0.00 C ATOM 1572 CD LYS B 123 -13.633 8.156 -4.112 1.00 0.00 C ATOM 1573 CE LYS B 123 -14.295 7.470 -5.284 1.00 0.00 C ATOM 1574 NZ LYS B 123 -13.392 7.417 -6.466 1.00 0.00 N ATOM 0 H LYS B 123 -14.173 11.531 -2.792 1.00 0.00 H new ATOM 0 HA LYS B 123 -16.957 11.157 -2.966 1.00 0.00 H new ATOM 0 HB2 LYS B 123 -16.492 9.093 -3.971 1.00 0.00 H new ATOM 0 HB3 LYS B 123 -15.157 10.135 -4.422 1.00 0.00 H new ATOM 0 HG2 LYS B 123 -14.098 8.998 -2.194 1.00 0.00 H new ATOM 0 HG3 LYS B 123 -15.178 7.710 -2.691 1.00 0.00 H new ATOM 0 HD2 LYS B 123 -13.089 9.031 -4.467 1.00 0.00 H new ATOM 0 HD3 LYS B 123 -12.900 7.483 -3.668 1.00 0.00 H new ATOM 0 HE2 LYS B 123 -14.583 6.458 -4.999 1.00 0.00 H new ATOM 0 HE3 LYS B 123 -15.210 8.000 -5.548 1.00 0.00 H new ATOM 0 HZ1 LYS B 123 -13.961 7.382 -7.336 1.00 0.00 H new ATOM 0 HZ2 LYS B 123 -12.789 8.264 -6.480 1.00 0.00 H new ATOM 0 HZ3 LYS B 123 -12.795 6.568 -6.409 1.00 0.00 H new ATOM 1588 N LEU B 124 -15.455 9.785 -0.398 1.00 0.00 N ATOM 1589 CA LEU B 124 -15.663 9.239 0.926 1.00 0.00 C ATOM 1590 C LEU B 124 -16.562 10.155 1.740 1.00 0.00 C ATOM 1591 O LEU B 124 -17.546 9.707 2.307 1.00 0.00 O ATOM 1592 CB LEU B 124 -14.326 9.044 1.643 1.00 0.00 C ATOM 1593 CG LEU B 124 -13.433 7.939 1.080 1.00 0.00 C ATOM 1594 CD1 LEU B 124 -12.122 7.876 1.847 1.00 0.00 C ATOM 1595 CD2 LEU B 124 -14.145 6.602 1.145 1.00 0.00 C ATOM 0 H LEU B 124 -14.483 10.005 -0.613 1.00 0.00 H new ATOM 0 HA LEU B 124 -16.148 8.268 0.824 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -13.775 9.984 1.610 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -14.525 8.827 2.693 1.00 0.00 H new ATOM 0 HG LEU B 124 -13.215 8.167 0.037 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -11.497 7.084 1.434 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -11.603 8.831 1.760 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -12.325 7.668 2.898 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -13.497 5.825 0.741 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -14.388 6.369 2.182 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -15.063 6.650 0.559 1.00 0.00 H new ATOM 1607 N GLU B 125 -16.235 11.443 1.770 1.00 0.00 N ATOM 1608 CA GLU B 125 -17.013 12.415 2.535 1.00 0.00 C ATOM 1609 C GLU B 125 -18.481 12.400 2.126 1.00 0.00 C ATOM 1610 O GLU B 125 -19.361 12.602 2.953 1.00 0.00 O ATOM 1611 CB GLU B 125 -16.455 13.820 2.355 1.00 0.00 C ATOM 1612 CG GLU B 125 -15.041 13.996 2.872 1.00 0.00 C ATOM 1613 CD GLU B 125 -14.579 15.427 2.743 1.00 0.00 C ATOM 1614 OE1 GLU B 125 -14.314 16.066 3.782 1.00 0.00 O ATOM 1615 OE2 GLU B 125 -14.514 15.933 1.605 1.00 0.00 O ATOM 0 H GLU B 125 -15.437 11.839 1.274 1.00 0.00 H new ATOM 0 HA GLU B 125 -16.939 12.129 3.584 1.00 0.00 H new ATOM 0 HB2 GLU B 125 -16.477 14.075 1.295 1.00 0.00 H new ATOM 0 HB3 GLU B 125 -17.108 14.527 2.867 1.00 0.00 H new ATOM 0 HG2 GLU B 125 -14.994 13.690 3.917 1.00 0.00 H new ATOM 0 HG3 GLU B 125 -14.366 13.343 2.318 1.00 0.00 H new ATOM 1622 N ARG B 126 -18.739 12.145 0.850 1.00 0.00 N ATOM 1623 CA ARG B 126 -20.105 12.069 0.343 1.00 0.00 C ATOM 1624 C ARG B 126 -20.853 10.906 0.996 1.00 0.00 C ATOM 1625 O ARG B 126 -22.080 10.905 1.079 1.00 0.00 O ATOM 1626 CB ARG B 126 -20.090 11.928 -1.180 1.00 0.00 C ATOM 1627 CG ARG B 126 -19.416 13.103 -1.874 1.00 0.00 C ATOM 1628 CD ARG B 126 -19.252 12.868 -3.365 1.00 0.00 C ATOM 1629 NE ARG B 126 -20.535 12.759 -4.052 1.00 0.00 N ATOM 1630 CZ ARG B 126 -20.673 12.760 -5.377 1.00 0.00 C ATOM 1631 NH1 ARG B 126 -19.608 12.865 -6.164 1.00 0.00 N ATOM 1632 NH2 ARG B 126 -21.881 12.660 -5.913 1.00 0.00 N ATOM 0 H ARG B 126 -18.019 11.987 0.145 1.00 0.00 H new ATOM 0 HA ARG B 126 -20.630 12.990 0.597 1.00 0.00 H new ATOM 0 HB2 ARG B 126 -19.573 11.007 -1.450 1.00 0.00 H new ATOM 0 HB3 ARG B 126 -21.114 11.837 -1.542 1.00 0.00 H new ATOM 0 HG2 ARG B 126 -20.005 14.006 -1.712 1.00 0.00 H new ATOM 0 HG3 ARG B 126 -18.438 13.276 -1.425 1.00 0.00 H new ATOM 0 HD2 ARG B 126 -18.678 13.687 -3.799 1.00 0.00 H new ATOM 0 HD3 ARG B 126 -18.677 11.956 -3.526 1.00 0.00 H new ATOM 0 HE ARG B 126 -21.377 12.677 -3.483 1.00 0.00 H new ATOM 0 HH11 ARG B 126 -18.677 12.946 -5.755 1.00 0.00 H new ATOM 0 HH12 ARG B 126 -19.721 12.865 -7.178 1.00 0.00 H new ATOM 0 HH21 ARG B 126 -22.701 12.583 -5.311 1.00 0.00 H new ATOM 0 HH22 ARG B 126 -21.991 12.660 -6.927 1.00 0.00 H new ATOM 1646 N LEU B 127 -20.094 9.924 1.458 1.00 0.00 N ATOM 1647 CA LEU B 127 -20.625 8.812 2.240 1.00 0.00 C ATOM 1648 C LEU B 127 -20.662 9.181 3.730 1.00 0.00 C ATOM 1649 O LEU B 127 -21.721 9.156 4.362 1.00 0.00 O ATOM 1650 CB LEU B 127 -19.739 7.584 2.009 1.00 0.00 C ATOM 1651 CG LEU B 127 -20.081 6.332 2.808 1.00 0.00 C ATOM 1652 CD1 LEU B 127 -21.211 5.565 2.143 1.00 0.00 C ATOM 1653 CD2 LEU B 127 -18.847 5.456 2.947 1.00 0.00 C ATOM 0 H LEU B 127 -19.087 9.874 1.302 1.00 0.00 H new ATOM 0 HA LEU B 127 -21.644 8.589 1.925 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -19.777 7.332 0.949 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -18.709 7.861 2.234 1.00 0.00 H new ATOM 0 HG LEU B 127 -20.415 6.629 3.802 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -21.440 4.675 2.729 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -22.096 6.199 2.085 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -20.909 5.270 1.138 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -19.098 4.563 3.519 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -18.493 5.166 1.958 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -18.064 6.010 3.464 1.00 0.00 H new ATOM 1665 N LEU B 128 -19.488 9.515 4.268 1.00 0.00 N ATOM 1666 CA LEU B 128 -19.319 9.967 5.644 1.00 0.00 C ATOM 1667 C LEU B 128 -20.335 11.037 6.052 1.00 0.00 C ATOM 1668 O LEU B 128 -21.214 10.786 6.877 1.00 0.00 O ATOM 1669 CB LEU B 128 -17.908 10.537 5.803 1.00 0.00 C ATOM 1670 CG LEU B 128 -16.766 9.520 5.932 1.00 0.00 C ATOM 1671 CD1 LEU B 128 -16.728 8.524 4.787 1.00 0.00 C ATOM 1672 CD2 LEU B 128 -15.435 10.250 6.037 1.00 0.00 C ATOM 0 H LEU B 128 -18.612 9.477 3.746 1.00 0.00 H new ATOM 0 HA LEU B 128 -19.480 9.106 6.292 1.00 0.00 H new ATOM 0 HB2 LEU B 128 -17.700 11.176 4.945 1.00 0.00 H new ATOM 0 HB3 LEU B 128 -17.896 11.176 6.686 1.00 0.00 H new ATOM 0 HG LEU B 128 -16.950 8.946 6.840 1.00 0.00 H new ATOM 0 HD11 LEU B 128 -15.899 7.831 4.935 1.00 0.00 H new ATOM 0 HD12 LEU B 128 -17.665 7.968 4.757 1.00 0.00 H new ATOM 0 HD13 LEU B 128 -16.592 9.057 3.846 1.00 0.00 H new ATOM 0 HD21 LEU B 128 -14.628 9.523 6.128 1.00 0.00 H new ATOM 0 HD22 LEU B 128 -15.280 10.854 5.143 1.00 0.00 H new ATOM 0 HD23 LEU B 128 -15.443 10.896 6.915 1.00 0.00 H new ATOM 1684 N GLU B 129 -20.215 12.221 5.453 1.00 0.00 N ATOM 1685 CA GLU B 129 -20.996 13.393 5.859 1.00 0.00 C ATOM 1686 C GLU B 129 -22.492 13.161 5.681 1.00 0.00 C ATOM 1687 O GLU B 129 -23.306 13.722 6.415 1.00 0.00 O ATOM 1688 CB GLU B 129 -20.571 14.626 5.051 1.00 0.00 C ATOM 1689 CG GLU B 129 -19.081 14.925 5.117 1.00 0.00 C ATOM 1690 CD GLU B 129 -18.695 16.151 4.306 1.00 0.00 C ATOM 1691 OE1 GLU B 129 -18.897 16.144 3.072 1.00 0.00 O ATOM 1692 OE2 GLU B 129 -18.184 17.125 4.898 1.00 0.00 O ATOM 0 H GLU B 129 -19.578 12.397 4.676 1.00 0.00 H new ATOM 0 HA GLU B 129 -20.799 13.563 6.917 1.00 0.00 H new ATOM 0 HB2 GLU B 129 -20.856 14.481 4.009 1.00 0.00 H new ATOM 0 HB3 GLU B 129 -21.122 15.494 5.415 1.00 0.00 H new ATOM 0 HG2 GLU B 129 -18.790 15.075 6.157 1.00 0.00 H new ATOM 0 HG3 GLU B 129 -18.524 14.062 4.752 1.00 0.00 H new ATOM 1699 N SER B 130 -22.846 12.329 4.712 1.00 0.00 N ATOM 1700 CA SER B 130 -24.244 12.050 4.406 1.00 0.00 C ATOM 1701 C SER B 130 -24.881 11.171 5.486 1.00 0.00 C ATOM 1702 O SER B 130 -26.100 10.988 5.513 1.00 0.00 O ATOM 1703 CB SER B 130 -24.350 11.371 3.039 1.00 0.00 C ATOM 1704 OG SER B 130 -25.700 11.185 2.651 1.00 0.00 O ATOM 0 H SER B 130 -22.180 11.832 4.120 1.00 0.00 H new ATOM 0 HA SER B 130 -24.786 12.996 4.381 1.00 0.00 H new ATOM 0 HB2 SER B 130 -23.836 11.975 2.291 1.00 0.00 H new ATOM 0 HB3 SER B 130 -23.844 10.406 3.071 1.00 0.00 H new ATOM 0 HG SER B 130 -26.258 11.077 3.449 1.00 0.00 H new ATOM 1710 N GLY B 131 -24.054 10.633 6.372 1.00 0.00 N ATOM 1711 CA GLY B 131 -24.556 9.793 7.439 1.00 0.00 C ATOM 1712 C GLY B 131 -24.748 8.364 6.990 1.00 0.00 C ATOM 1713 O GLY B 131 -25.463 7.593 7.631 1.00 0.00 O ATOM 0 H GLY B 131 -23.042 10.764 6.370 1.00 0.00 H new ATOM 0 HA2 GLY B 131 -23.861 9.819 8.279 1.00 0.00 H new ATOM 0 HA3 GLY B 131 -25.505 10.191 7.798 1.00 0.00 H new ATOM 1717 N LEU B 132 -24.112 8.011 5.883 1.00 0.00 N ATOM 1718 CA LEU B 132 -24.222 6.667 5.342 1.00 0.00 C ATOM 1719 C LEU B 132 -23.309 5.725 6.115 1.00 0.00 C ATOM 1720 O LEU B 132 -23.775 4.838 6.831 1.00 0.00 O ATOM 1721 CB LEU B 132 -23.879 6.661 3.847 1.00 0.00 C ATOM 1722 CG LEU B 132 -24.753 7.572 2.980 1.00 0.00 C ATOM 1723 CD1 LEU B 132 -24.336 7.476 1.522 1.00 0.00 C ATOM 1724 CD2 LEU B 132 -26.224 7.218 3.136 1.00 0.00 C ATOM 0 H LEU B 132 -23.515 8.637 5.343 1.00 0.00 H new ATOM 0 HA LEU B 132 -25.250 6.321 5.450 1.00 0.00 H new ATOM 0 HB2 LEU B 132 -22.838 6.960 3.727 1.00 0.00 H new ATOM 0 HB3 LEU B 132 -23.963 5.640 3.474 1.00 0.00 H new ATOM 0 HG LEU B 132 -24.612 8.599 3.315 1.00 0.00 H new ATOM 0 HD11 LEU B 132 -24.967 8.129 0.919 1.00 0.00 H new ATOM 0 HD12 LEU B 132 -23.295 7.782 1.420 1.00 0.00 H new ATOM 0 HD13 LEU B 132 -24.447 6.447 1.179 1.00 0.00 H new ATOM 0 HD21 LEU B 132 -26.825 7.878 2.511 1.00 0.00 H new ATOM 0 HD22 LEU B 132 -26.384 6.184 2.830 1.00 0.00 H new ATOM 0 HD23 LEU B 132 -26.518 7.338 4.179 1.00 0.00 H new ATOM 1736 N THR B 133 -22.011 5.928 5.988 1.00 0.00 N ATOM 1737 CA THR B 133 -21.051 5.184 6.782 1.00 0.00 C ATOM 1738 C THR B 133 -20.197 6.158 7.585 1.00 0.00 C ATOM 1739 O THR B 133 -19.182 6.645 7.051 1.00 0.00 O ATOM 1740 CB THR B 133 -20.144 4.295 5.907 1.00 0.00 C ATOM 1741 OG1 THR B 133 -20.939 3.543 4.976 1.00 0.00 O ATOM 1742 CG2 THR B 133 -19.337 3.333 6.767 1.00 0.00 C ATOM 1743 OXT THR B 133 -20.570 6.461 8.737 1.00 0.00 O ATOM 0 H THR B 133 -21.597 6.601 5.343 1.00 0.00 H new ATOM 0 HA THR B 133 -21.606 4.528 7.452 1.00 0.00 H new ATOM 0 HB THR B 133 -19.458 4.945 5.363 1.00 0.00 H new ATOM 0 HG1 THR B 133 -20.354 2.983 4.424 1.00 0.00 H new ATOM 0 HG21 THR B 133 -18.705 2.716 6.128 1.00 0.00 H new ATOM 0 HG22 THR B 133 -18.712 3.899 7.458 1.00 0.00 H new ATOM 0 HG23 THR B 133 -20.015 2.694 7.332 1.00 0.00 H new TER 1751 THR B 133