USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 925 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 SER OG : rot 180:sc= -0.0104 USER MOD Set 1.2: A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 40 HIS : no HE2:sc= -6.2! C(o=-8.5!,f=-12!) USER MOD Set 2.2: A 60 MET CE :methyl -145:sc= -2.25 (180deg=-4.57!) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0961 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00424 USER MOD Single : A 3 SER OG : rot 30:sc= 0.00705 USER MOD Single : A 5 SER OG : rot 43:sc= 0.506 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.238 F(o=-0.99,f=-0.24) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.192 K(o=-0.19,f=-1.3!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -2.38! C(o=-2.4!,f=-2.2!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN :FLIP amide:sc= -0.488 F(o=-2.2,f=-0.49) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 38:sc= -0.253 USER MOD Single : A 64 ASN : amide:sc= -0.137 K(o=-0.14,f=-1) USER MOD Single : A 70 MET CE :methyl -113:sc= -2.56! (180deg=-3.35!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -131:sc= 0.428 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 ASN : amide:sc= -0.876 K(o=-0.88,f=-8.6!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.00814 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 41:sc= 1.35 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 CYS SG : rot 180:sc= -2.61 USER MOD Single : A 96 ASN : amide:sc= -2.62 K(o=-2.6,f=-8.7!) USER MOD Single : A 98 SER OG : rot -150:sc=-0.00187 USER MOD Single : A 99 LYS NZ :NH3+ -149:sc= 0.21 (180deg=0.0184) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.506 X(o=-0.51,f=-0.19) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.735 -27.810 22.296 1.00 0.00 N ATOM 2 CA GLY A 1 6.372 -27.519 21.882 1.00 0.00 C ATOM 3 C GLY A 1 6.317 -26.249 21.032 1.00 0.00 C ATOM 4 O GLY A 1 7.341 -25.605 20.803 1.00 0.00 O ATOM 0 H1 GLY A 1 8.029 -28.727 21.903 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.371 -27.064 21.947 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.782 -27.847 23.334 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.974 -28.359 21.313 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.739 -27.400 22.761 1.00 0.00 H new ATOM 8 N SER A 2 5.112 -25.925 20.586 1.00 0.00 N ATOM 9 CA SER A 2 4.910 -24.742 19.766 1.00 0.00 C ATOM 10 C SER A 2 3.697 -23.958 20.269 1.00 0.00 C ATOM 11 O SER A 2 2.780 -24.533 20.853 1.00 0.00 O ATOM 12 CB SER A 2 4.727 -25.118 18.294 1.00 0.00 C ATOM 13 OG SER A 2 4.331 -24.000 17.504 1.00 0.00 O ATOM 0 H SER A 2 4.266 -26.461 20.777 1.00 0.00 H new ATOM 0 HA SER A 2 5.798 -24.114 19.845 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.660 -25.525 17.905 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.977 -25.905 18.211 1.00 0.00 H new ATOM 0 HG SER A 2 4.226 -24.280 16.571 1.00 0.00 H new ATOM 19 N SER A 3 3.731 -22.656 20.024 1.00 0.00 N ATOM 20 CA SER A 3 2.645 -21.787 20.444 1.00 0.00 C ATOM 21 C SER A 3 2.466 -20.649 19.437 1.00 0.00 C ATOM 22 O SER A 3 3.005 -19.559 19.625 1.00 0.00 O ATOM 23 CB SER A 3 2.902 -21.223 21.843 1.00 0.00 C ATOM 24 OG SER A 3 2.336 -22.043 22.862 1.00 0.00 O ATOM 0 H SER A 3 4.494 -22.182 19.540 1.00 0.00 H new ATOM 0 HA SER A 3 1.729 -22.377 20.482 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.976 -21.132 22.006 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.483 -20.219 21.912 1.00 0.00 H new ATOM 0 HG SER A 3 2.326 -22.976 22.563 1.00 0.00 H new ATOM 30 N GLY A 4 1.707 -20.941 18.391 1.00 0.00 N ATOM 31 CA GLY A 4 1.451 -19.956 17.355 1.00 0.00 C ATOM 32 C GLY A 4 2.736 -19.599 16.606 1.00 0.00 C ATOM 33 O GLY A 4 3.736 -19.233 17.222 1.00 0.00 O ATOM 0 H GLY A 4 1.261 -21.846 18.239 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.713 -20.345 16.653 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.024 -19.057 17.801 1.00 0.00 H new ATOM 37 N SER A 5 2.669 -19.720 15.288 1.00 0.00 N ATOM 38 CA SER A 5 3.815 -19.415 14.449 1.00 0.00 C ATOM 39 C SER A 5 3.345 -18.874 13.098 1.00 0.00 C ATOM 40 O SER A 5 2.999 -19.644 12.203 1.00 0.00 O ATOM 41 CB SER A 5 4.695 -20.651 14.249 1.00 0.00 C ATOM 42 OG SER A 5 3.958 -21.753 13.729 1.00 0.00 O ATOM 0 H SER A 5 1.838 -20.025 14.781 1.00 0.00 H new ATOM 0 HA SER A 5 4.413 -18.653 14.950 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.512 -20.408 13.569 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.145 -20.933 15.201 1.00 0.00 H new ATOM 0 HG SER A 5 3.359 -21.440 13.019 1.00 0.00 H new ATOM 48 N SER A 6 3.348 -17.553 12.991 1.00 0.00 N ATOM 49 CA SER A 6 2.926 -16.900 11.764 1.00 0.00 C ATOM 50 C SER A 6 3.991 -15.899 11.311 1.00 0.00 C ATOM 51 O SER A 6 4.523 -16.010 10.208 1.00 0.00 O ATOM 52 CB SER A 6 1.581 -16.196 11.949 1.00 0.00 C ATOM 53 OG SER A 6 0.487 -17.107 11.876 1.00 0.00 O ATOM 0 H SER A 6 3.636 -16.917 13.735 1.00 0.00 H new ATOM 0 HA SER A 6 2.803 -17.663 10.995 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.567 -15.689 12.914 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.465 -15.428 11.184 1.00 0.00 H new ATOM 0 HG SER A 6 -0.354 -16.619 12.001 1.00 0.00 H new ATOM 59 N GLY A 7 4.270 -14.944 12.186 1.00 0.00 N ATOM 60 CA GLY A 7 5.262 -13.925 11.891 1.00 0.00 C ATOM 61 C GLY A 7 4.904 -13.166 10.611 1.00 0.00 C ATOM 62 O GLY A 7 5.650 -13.203 9.634 1.00 0.00 O ATOM 0 H GLY A 7 3.826 -14.855 13.100 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.330 -13.227 12.725 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.243 -14.388 11.781 1.00 0.00 H new ATOM 66 N GLN A 8 3.761 -12.497 10.658 1.00 0.00 N ATOM 67 CA GLN A 8 3.295 -11.731 9.514 1.00 0.00 C ATOM 68 C GLN A 8 4.152 -10.477 9.330 1.00 0.00 C ATOM 69 O GLN A 8 4.116 -9.569 10.158 1.00 0.00 O ATOM 70 CB GLN A 8 1.817 -11.368 9.664 1.00 0.00 C ATOM 71 CG GLN A 8 1.293 -10.671 8.406 1.00 0.00 C ATOM 72 CD GLN A 8 -0.230 -10.535 8.449 1.00 0.00 C ATOM 73 OE1 GLN A 8 -0.889 -10.934 9.395 1.00 0.00 O ATOM 74 NE2 GLN A 8 -0.751 -9.949 7.374 1.00 0.00 N ATOM 0 H GLN A 8 3.144 -12.469 11.470 1.00 0.00 H new ATOM 0 HA GLN A 8 3.395 -12.349 8.622 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.235 -12.270 9.854 1.00 0.00 H new ATOM 0 HB3 GLN A 8 1.685 -10.716 10.527 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.747 -9.684 8.317 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.586 -11.238 7.523 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.142 -9.638 6.617 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -1.759 -9.811 7.307 1.00 0.00 H new ATOM 83 N LYS A 9 4.904 -10.468 8.239 1.00 0.00 N ATOM 84 CA LYS A 9 5.769 -9.341 7.935 1.00 0.00 C ATOM 85 C LYS A 9 5.409 -8.785 6.556 1.00 0.00 C ATOM 86 O LYS A 9 5.125 -9.545 5.631 1.00 0.00 O ATOM 87 CB LYS A 9 7.239 -9.741 8.073 1.00 0.00 C ATOM 88 CG LYS A 9 8.158 -8.537 7.853 1.00 0.00 C ATOM 89 CD LYS A 9 9.017 -8.725 6.601 1.00 0.00 C ATOM 90 CE LYS A 9 9.513 -7.378 6.070 1.00 0.00 C ATOM 91 NZ LYS A 9 10.749 -6.967 6.772 1.00 0.00 N ATOM 0 H LYS A 9 4.932 -11.224 7.555 1.00 0.00 H new ATOM 0 HA LYS A 9 5.613 -8.536 8.654 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.414 -10.160 9.064 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.477 -10.521 7.350 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.560 -7.631 7.755 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.801 -8.402 8.723 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.869 -9.365 6.832 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.437 -9.233 5.830 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.703 -7.450 4.999 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.741 -6.620 6.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.072 -6.051 6.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.557 -6.878 7.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.489 -7.682 6.620 1.00 0.00 H new ATOM 105 N ASN A 10 5.433 -7.463 6.461 1.00 0.00 N ATOM 106 CA ASN A 10 5.113 -6.797 5.210 1.00 0.00 C ATOM 107 C ASN A 10 5.764 -5.412 5.194 1.00 0.00 C ATOM 108 O ASN A 10 5.841 -4.747 6.226 1.00 0.00 O ATOM 109 CB ASN A 10 3.603 -6.611 5.055 1.00 0.00 C ATOM 110 CG ASN A 10 3.051 -5.679 6.136 1.00 0.00 C ATOM 111 OD1 ASN A 10 3.108 -4.389 5.817 1.00 0.00 O flip ATOM 112 ND2 ASN A 10 2.604 -6.102 7.189 1.00 0.00 N flip ATOM 0 H ASN A 10 5.669 -6.836 7.230 1.00 0.00 H new ATOM 0 HA ASN A 10 5.485 -7.416 4.394 1.00 0.00 H new ATOM 0 HB2 ASN A 10 3.383 -6.201 4.069 1.00 0.00 H new ATOM 0 HB3 ASN A 10 3.106 -7.579 5.116 1.00 0.00 H new ATOM 0 HD21 ASN A 10 2.590 -7.106 7.370 1.00 0.00 H new ATOM 0 HD22 ASN A 10 2.244 -5.452 7.888 1.00 0.00 H new ATOM 119 N PRO A 11 6.227 -5.009 3.981 1.00 0.00 N ATOM 120 CA PRO A 11 6.868 -3.715 3.817 1.00 0.00 C ATOM 121 C PRO A 11 5.837 -2.585 3.838 1.00 0.00 C ATOM 122 O PRO A 11 6.024 -1.582 4.524 1.00 0.00 O ATOM 123 CB PRO A 11 7.617 -3.811 2.498 1.00 0.00 C ATOM 124 CG PRO A 11 6.995 -4.979 1.750 1.00 0.00 C ATOM 125 CD PRO A 11 6.153 -5.770 2.738 1.00 0.00 C ATOM 0 HA PRO A 11 7.552 -3.479 4.632 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.523 -2.887 1.927 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.682 -3.976 2.664 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.379 -4.620 0.925 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.770 -5.611 1.317 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.123 -5.866 2.393 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.541 -6.780 2.869 1.00 0.00 H new ATOM 133 N ASP A 12 4.770 -2.786 3.078 1.00 0.00 N ATOM 134 CA ASP A 12 3.709 -1.797 3.000 1.00 0.00 C ATOM 135 C ASP A 12 2.370 -2.507 2.789 1.00 0.00 C ATOM 136 O ASP A 12 1.442 -2.337 3.579 1.00 0.00 O ATOM 137 CB ASP A 12 3.929 -0.844 1.824 1.00 0.00 C ATOM 138 CG ASP A 12 4.559 0.501 2.190 1.00 0.00 C ATOM 139 OD1 ASP A 12 3.858 1.294 2.855 1.00 0.00 O ATOM 140 OD2 ASP A 12 5.728 0.707 1.797 1.00 0.00 O ATOM 0 H ASP A 12 4.618 -3.620 2.511 1.00 0.00 H new ATOM 0 HA ASP A 12 3.710 -1.228 3.930 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.565 -1.338 1.090 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.969 -0.659 1.341 1.00 0.00 H new ATOM 145 N SER A 13 2.313 -3.288 1.721 1.00 0.00 N ATOM 146 CA SER A 13 1.103 -4.024 1.396 1.00 0.00 C ATOM 147 C SER A 13 1.461 -5.336 0.694 1.00 0.00 C ATOM 148 O SER A 13 1.390 -5.428 -0.531 1.00 0.00 O ATOM 149 CB SER A 13 0.169 -3.190 0.518 1.00 0.00 C ATOM 150 OG SER A 13 -1.185 -3.621 0.618 1.00 0.00 O ATOM 0 H SER A 13 3.085 -3.427 1.069 1.00 0.00 H new ATOM 0 HA SER A 13 0.579 -4.248 2.325 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.238 -2.142 0.809 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.494 -3.255 -0.520 1.00 0.00 H new ATOM 0 HG SER A 13 -1.749 -3.062 0.044 1.00 0.00 H new ATOM 156 N TYR A 14 1.839 -6.318 1.499 1.00 0.00 N ATOM 157 CA TYR A 14 2.208 -7.619 0.970 1.00 0.00 C ATOM 158 C TYR A 14 1.181 -8.107 -0.053 1.00 0.00 C ATOM 159 O TYR A 14 1.529 -8.400 -1.196 1.00 0.00 O ATOM 160 CB TYR A 14 2.212 -8.575 2.166 1.00 0.00 C ATOM 161 CG TYR A 14 3.079 -9.819 1.965 1.00 0.00 C ATOM 162 CD1 TYR A 14 2.678 -10.806 1.088 1.00 0.00 C ATOM 163 CD2 TYR A 14 4.263 -9.954 2.661 1.00 0.00 C ATOM 164 CE1 TYR A 14 3.494 -11.977 0.899 1.00 0.00 C ATOM 165 CE2 TYR A 14 5.080 -11.126 2.472 1.00 0.00 C ATOM 166 CZ TYR A 14 4.655 -12.079 1.600 1.00 0.00 C ATOM 167 OH TYR A 14 5.426 -13.185 1.422 1.00 0.00 O ATOM 0 H TYR A 14 1.898 -6.238 2.514 1.00 0.00 H new ATOM 0 HA TYR A 14 3.175 -7.569 0.470 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.564 -8.038 3.046 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.188 -8.888 2.372 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.752 -10.700 0.543 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.577 -9.181 3.347 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.191 -12.757 0.216 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.009 -11.245 3.011 1.00 0.00 H new ATOM 0 HH TYR A 14 6.225 -13.121 1.986 1.00 0.00 H new ATOM 177 N ASN A 15 -0.065 -8.179 0.394 1.00 0.00 N ATOM 178 CA ASN A 15 -1.145 -8.626 -0.469 1.00 0.00 C ATOM 179 C ASN A 15 -2.384 -7.764 -0.216 1.00 0.00 C ATOM 180 O ASN A 15 -3.100 -7.973 0.762 1.00 0.00 O ATOM 181 CB ASN A 15 -1.514 -10.082 -0.180 1.00 0.00 C ATOM 182 CG ASN A 15 -1.995 -10.788 -1.449 1.00 0.00 C ATOM 183 OD1 ASN A 15 -1.280 -11.555 -2.073 1.00 0.00 O ATOM 184 ND2 ASN A 15 -3.243 -10.486 -1.796 1.00 0.00 N ATOM 0 H ASN A 15 -0.350 -7.935 1.343 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.810 -8.538 -1.502 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.649 -10.606 0.226 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.295 -10.119 0.579 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.656 -10.905 -2.629 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.787 -9.836 -1.229 1.00 0.00 H new ATOM 191 N GLY A 16 -2.599 -6.814 -1.114 1.00 0.00 N ATOM 192 CA GLY A 16 -3.739 -5.921 -1.000 1.00 0.00 C ATOM 193 C GLY A 16 -3.737 -4.883 -2.124 1.00 0.00 C ATOM 194 O GLY A 16 -2.853 -4.891 -2.979 1.00 0.00 O ATOM 0 H GLY A 16 -2.003 -6.643 -1.924 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.663 -6.499 -1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.715 -5.416 -0.034 1.00 0.00 H new ATOM 198 N ALA A 17 -4.736 -4.014 -2.086 1.00 0.00 N ATOM 199 CA ALA A 17 -4.861 -2.972 -3.091 1.00 0.00 C ATOM 200 C ALA A 17 -3.656 -2.033 -2.998 1.00 0.00 C ATOM 201 O ALA A 17 -3.282 -1.605 -1.908 1.00 0.00 O ATOM 202 CB ALA A 17 -6.189 -2.237 -2.902 1.00 0.00 C ATOM 0 H ALA A 17 -5.467 -4.010 -1.375 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.867 -3.403 -4.092 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.283 -1.455 -3.656 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.013 -2.942 -3.006 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.219 -1.789 -1.909 1.00 0.00 H new ATOM 208 N VAL A 18 -3.083 -1.741 -4.156 1.00 0.00 N ATOM 209 CA VAL A 18 -1.929 -0.861 -4.219 1.00 0.00 C ATOM 210 C VAL A 18 -1.959 -0.081 -5.535 1.00 0.00 C ATOM 211 O VAL A 18 -2.268 -0.641 -6.586 1.00 0.00 O ATOM 212 CB VAL A 18 -0.644 -1.670 -4.033 1.00 0.00 C ATOM 213 CG1 VAL A 18 0.592 -0.795 -4.255 1.00 0.00 C ATOM 214 CG2 VAL A 18 -0.607 -2.331 -2.654 1.00 0.00 C ATOM 0 H VAL A 18 -3.397 -2.098 -5.058 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.959 -0.133 -3.409 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.634 -2.460 -4.784 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.492 -1.394 -4.117 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.576 -0.393 -5.268 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.590 0.026 -3.539 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.317 -2.900 -2.548 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.651 -1.563 -1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.460 -3.001 -2.549 1.00 0.00 H new ATOM 224 N ARG A 19 -1.634 1.200 -5.434 1.00 0.00 N ATOM 225 CA ARG A 19 -1.620 2.062 -6.604 1.00 0.00 C ATOM 226 C ARG A 19 -0.451 3.045 -6.524 1.00 0.00 C ATOM 227 O ARG A 19 0.169 3.195 -5.472 1.00 0.00 O ATOM 228 CB ARG A 19 -2.929 2.846 -6.725 1.00 0.00 C ATOM 229 CG ARG A 19 -4.074 1.936 -7.174 1.00 0.00 C ATOM 230 CD ARG A 19 -4.395 2.149 -8.655 1.00 0.00 C ATOM 231 NE ARG A 19 -5.848 2.367 -8.831 1.00 0.00 N ATOM 232 CZ ARG A 19 -6.463 2.409 -10.021 1.00 0.00 C ATOM 233 NH1 ARG A 19 -5.754 2.247 -11.147 1.00 0.00 N ATOM 234 NH2 ARG A 19 -7.786 2.612 -10.085 1.00 0.00 N ATOM 0 H ARG A 19 -1.379 1.661 -4.561 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.506 1.428 -7.483 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.175 3.300 -5.765 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.805 3.660 -7.440 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.804 0.894 -7.003 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.961 2.138 -6.573 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.841 3.007 -9.036 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.076 1.282 -9.233 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.417 2.493 -7.994 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.747 2.092 -11.098 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.221 2.279 -12.053 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.325 2.735 -9.228 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.254 2.644 -10.991 1.00 0.00 H new ATOM 248 N GLU A 20 -0.183 3.689 -7.650 1.00 0.00 N ATOM 249 CA GLU A 20 0.902 4.653 -7.722 1.00 0.00 C ATOM 250 C GLU A 20 0.408 6.040 -7.302 1.00 0.00 C ATOM 251 O GLU A 20 0.535 7.002 -8.057 1.00 0.00 O ATOM 252 CB GLU A 20 1.512 4.690 -9.124 1.00 0.00 C ATOM 253 CG GLU A 20 0.431 4.894 -10.187 1.00 0.00 C ATOM 254 CD GLU A 20 0.959 5.734 -11.352 1.00 0.00 C ATOM 255 OE1 GLU A 20 1.817 6.602 -11.083 1.00 0.00 O ATOM 256 OE2 GLU A 20 0.493 5.488 -12.486 1.00 0.00 O ATOM 0 H GLU A 20 -0.699 3.562 -8.521 1.00 0.00 H new ATOM 0 HA GLU A 20 1.685 4.342 -7.030 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.244 5.496 -9.185 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.046 3.759 -9.317 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.092 3.926 -10.556 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.434 5.386 -9.742 1.00 0.00 H new ATOM 263 N ASN A 21 -0.144 6.097 -6.099 1.00 0.00 N ATOM 264 CA ASN A 21 -0.657 7.349 -5.570 1.00 0.00 C ATOM 265 C ASN A 21 -0.509 7.353 -4.047 1.00 0.00 C ATOM 266 O ASN A 21 0.148 8.228 -3.486 1.00 0.00 O ATOM 267 CB ASN A 21 -2.141 7.520 -5.901 1.00 0.00 C ATOM 268 CG ASN A 21 -2.443 8.953 -6.344 1.00 0.00 C ATOM 269 OD1 ASN A 21 -1.637 9.618 -6.975 1.00 0.00 O ATOM 270 ND2 ASN A 21 -3.645 9.390 -5.981 1.00 0.00 N ATOM 0 H ASN A 21 -0.247 5.296 -5.476 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.090 8.163 -6.022 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.423 6.824 -6.691 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.743 7.271 -5.027 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.941 10.334 -6.230 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.271 8.781 -5.454 1.00 0.00 H new ATOM 277 N TYR A 22 -1.132 6.365 -3.421 1.00 0.00 N ATOM 278 CA TYR A 22 -1.078 6.244 -1.974 1.00 0.00 C ATOM 279 C TYR A 22 -1.537 4.856 -1.523 1.00 0.00 C ATOM 280 O TYR A 22 -2.592 4.381 -1.941 1.00 0.00 O ATOM 281 CB TYR A 22 -2.048 7.292 -1.427 1.00 0.00 C ATOM 282 CG TYR A 22 -3.512 7.033 -1.785 1.00 0.00 C ATOM 283 CD1 TYR A 22 -4.262 6.153 -1.031 1.00 0.00 C ATOM 284 CD2 TYR A 22 -4.084 7.678 -2.863 1.00 0.00 C ATOM 285 CE1 TYR A 22 -5.640 5.909 -1.368 1.00 0.00 C ATOM 286 CE2 TYR A 22 -5.462 7.434 -3.200 1.00 0.00 C ATOM 287 CZ TYR A 22 -6.172 6.561 -2.436 1.00 0.00 C ATOM 288 OH TYR A 22 -7.474 6.330 -2.755 1.00 0.00 O ATOM 0 H TYR A 22 -1.677 5.641 -3.890 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.059 6.389 -1.614 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.951 7.330 -0.342 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.760 8.272 -1.807 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.815 5.647 -0.188 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.497 8.366 -3.454 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.238 5.224 -0.786 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.922 7.933 -4.040 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.719 6.865 -3.539 1.00 0.00 H new ATOM 298 N THR A 23 -0.723 4.245 -0.675 1.00 0.00 N ATOM 299 CA THR A 23 -1.033 2.921 -0.162 1.00 0.00 C ATOM 300 C THR A 23 -1.912 3.025 1.086 1.00 0.00 C ATOM 301 O THR A 23 -1.811 3.990 1.842 1.00 0.00 O ATOM 302 CB THR A 23 0.288 2.189 0.084 1.00 0.00 C ATOM 303 OG1 THR A 23 1.106 2.567 -1.020 1.00 0.00 O ATOM 304 CG2 THR A 23 0.150 0.671 -0.057 1.00 0.00 C ATOM 0 H THR A 23 0.151 4.642 -0.330 1.00 0.00 H new ATOM 0 HA THR A 23 -1.613 2.343 -0.882 1.00 0.00 H new ATOM 0 HB THR A 23 0.656 2.430 1.081 1.00 0.00 H new ATOM 0 HG1 THR A 23 1.983 2.138 -0.939 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.115 0.199 0.127 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.578 0.303 0.666 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.186 0.428 -1.065 1.00 0.00 H new ATOM 312 N TRP A 24 -2.754 2.018 1.263 1.00 0.00 N ATOM 313 CA TRP A 24 -3.651 1.984 2.406 1.00 0.00 C ATOM 314 C TRP A 24 -3.840 0.521 2.814 1.00 0.00 C ATOM 315 O TRP A 24 -3.562 -0.386 2.032 1.00 0.00 O ATOM 316 CB TRP A 24 -4.969 2.692 2.090 1.00 0.00 C ATOM 317 CG TRP A 24 -6.048 1.772 1.515 1.00 0.00 C ATOM 318 CD1 TRP A 24 -6.263 1.455 0.231 1.00 0.00 C ATOM 319 CD2 TRP A 24 -7.057 1.059 2.261 1.00 0.00 C ATOM 320 NE1 TRP A 24 -7.332 0.593 0.096 1.00 0.00 N ATOM 321 CE2 TRP A 24 -7.830 0.344 1.369 1.00 0.00 C ATOM 322 CE3 TRP A 24 -7.307 1.018 3.644 1.00 0.00 C ATOM 323 CZ2 TRP A 24 -8.905 -0.462 1.762 1.00 0.00 C ATOM 324 CZ3 TRP A 24 -8.385 0.208 4.020 1.00 0.00 C ATOM 325 CH2 TRP A 24 -9.173 -0.518 3.135 1.00 0.00 C ATOM 0 H TRP A 24 -2.834 1.219 0.634 1.00 0.00 H new ATOM 0 HA TRP A 24 -3.224 2.528 3.248 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -5.348 3.155 3.001 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -4.776 3.497 1.380 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -5.674 1.827 -0.594 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -7.691 0.209 -0.778 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -6.714 1.568 4.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -9.496 -1.011 1.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -8.621 0.143 5.072 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -9.988 -1.122 3.505 1.00 0.00 H new ATOM 336 N SER A 25 -4.312 0.339 4.039 1.00 0.00 N ATOM 337 CA SER A 25 -4.543 -0.998 4.560 1.00 0.00 C ATOM 338 C SER A 25 -5.729 -0.985 5.526 1.00 0.00 C ATOM 339 O SER A 25 -6.212 0.080 5.908 1.00 0.00 O ATOM 340 CB SER A 25 -3.294 -1.538 5.261 1.00 0.00 C ATOM 341 OG SER A 25 -2.706 -0.571 6.126 1.00 0.00 O ATOM 0 H SER A 25 -4.541 1.094 4.685 1.00 0.00 H new ATOM 0 HA SER A 25 -4.772 -1.657 3.723 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.557 -2.426 5.836 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.564 -1.847 4.513 1.00 0.00 H new ATOM 0 HG SER A 25 -1.913 -0.955 6.555 1.00 0.00 H new ATOM 347 N GLN A 26 -6.165 -2.181 5.892 1.00 0.00 N ATOM 348 CA GLN A 26 -7.286 -2.322 6.806 1.00 0.00 C ATOM 349 C GLN A 26 -6.897 -3.205 7.993 1.00 0.00 C ATOM 350 O GLN A 26 -6.197 -4.203 7.825 1.00 0.00 O ATOM 351 CB GLN A 26 -8.514 -2.882 6.085 1.00 0.00 C ATOM 352 CG GLN A 26 -8.196 -4.222 5.420 1.00 0.00 C ATOM 353 CD GLN A 26 -7.365 -4.021 4.151 1.00 0.00 C ATOM 354 OE1 GLN A 26 -7.546 -3.073 3.404 1.00 0.00 O ATOM 355 NE2 GLN A 26 -6.448 -4.962 3.950 1.00 0.00 N ATOM 0 H GLN A 26 -5.762 -3.062 5.572 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.547 -1.334 7.185 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.331 -3.009 6.796 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.854 -2.170 5.333 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.652 -4.858 6.118 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.123 -4.739 5.174 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.350 -5.729 4.616 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.843 -4.917 3.130 1.00 0.00 H new ATOM 364 N ASP A 27 -7.367 -2.807 9.166 1.00 0.00 N ATOM 365 CA ASP A 27 -7.077 -3.551 10.380 1.00 0.00 C ATOM 366 C ASP A 27 -8.370 -3.750 11.172 1.00 0.00 C ATOM 367 O ASP A 27 -9.439 -3.317 10.743 1.00 0.00 O ATOM 368 CB ASP A 27 -6.090 -2.791 11.268 1.00 0.00 C ATOM 369 CG ASP A 27 -6.383 -1.298 11.429 1.00 0.00 C ATOM 370 OD1 ASP A 27 -7.259 -0.978 12.261 1.00 0.00 O ATOM 371 OD2 ASP A 27 -5.723 -0.510 10.717 1.00 0.00 O ATOM 0 H ASP A 27 -7.947 -1.979 9.302 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.641 -4.508 10.094 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.082 -3.253 12.255 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.088 -2.907 10.854 1.00 0.00 H new ATOM 376 N TYR A 28 -8.231 -4.405 12.316 1.00 0.00 N ATOM 377 CA TYR A 28 -9.375 -4.667 13.172 1.00 0.00 C ATOM 378 C TYR A 28 -10.349 -3.487 13.162 1.00 0.00 C ATOM 379 O TYR A 28 -11.498 -3.628 12.745 1.00 0.00 O ATOM 380 CB TYR A 28 -8.814 -4.837 14.585 1.00 0.00 C ATOM 381 CG TYR A 28 -8.645 -6.296 15.015 1.00 0.00 C ATOM 382 CD1 TYR A 28 -7.482 -6.974 14.711 1.00 0.00 C ATOM 383 CD2 TYR A 28 -9.654 -6.933 15.708 1.00 0.00 C ATOM 384 CE1 TYR A 28 -7.322 -8.347 15.115 1.00 0.00 C ATOM 385 CE2 TYR A 28 -9.494 -8.306 16.113 1.00 0.00 C ATOM 386 CZ TYR A 28 -8.336 -8.945 15.797 1.00 0.00 C ATOM 387 OH TYR A 28 -8.185 -10.241 16.179 1.00 0.00 O ATOM 0 H TYR A 28 -7.343 -4.762 12.670 1.00 0.00 H new ATOM 0 HA TYR A 28 -9.918 -5.548 12.828 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.847 -4.337 14.644 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -9.476 -4.335 15.291 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.692 -6.475 14.170 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -10.564 -6.402 15.947 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.418 -8.890 14.882 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -10.276 -8.816 16.655 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.987 -10.536 16.658 1.00 0.00 H new ATOM 397 N THR A 29 -9.854 -2.348 13.626 1.00 0.00 N ATOM 398 CA THR A 29 -10.666 -1.145 13.676 1.00 0.00 C ATOM 399 C THR A 29 -9.791 0.097 13.489 1.00 0.00 C ATOM 400 O THR A 29 -9.502 0.807 14.451 1.00 0.00 O ATOM 401 CB THR A 29 -11.440 -1.150 14.996 1.00 0.00 C ATOM 402 OG1 THR A 29 -10.501 -1.646 15.946 1.00 0.00 O ATOM 403 CG2 THR A 29 -12.566 -2.185 15.010 1.00 0.00 C ATOM 0 H THR A 29 -8.901 -2.234 13.970 1.00 0.00 H new ATOM 0 HA THR A 29 -11.388 -1.122 12.860 1.00 0.00 H new ATOM 0 HB THR A 29 -11.856 -0.159 15.177 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.919 -1.681 16.832 1.00 0.00 H new ATOM 0 HG21 THR A 29 -13.083 -2.147 15.969 1.00 0.00 H new ATOM 0 HG22 THR A 29 -13.271 -1.966 14.208 1.00 0.00 H new ATOM 0 HG23 THR A 29 -12.147 -3.180 14.863 1.00 0.00 H new ATOM 411 N ASP A 30 -9.395 0.321 12.245 1.00 0.00 N ATOM 412 CA ASP A 30 -8.559 1.464 11.920 1.00 0.00 C ATOM 413 C ASP A 30 -7.997 1.295 10.507 1.00 0.00 C ATOM 414 O ASP A 30 -7.995 0.190 9.965 1.00 0.00 O ATOM 415 CB ASP A 30 -7.379 1.576 12.888 1.00 0.00 C ATOM 416 CG ASP A 30 -7.275 2.911 13.628 1.00 0.00 C ATOM 417 OD1 ASP A 30 -8.313 3.338 14.179 1.00 0.00 O ATOM 418 OD2 ASP A 30 -6.159 3.475 13.627 1.00 0.00 O ATOM 0 H ASP A 30 -9.638 -0.270 11.450 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.173 2.362 11.993 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.454 0.775 13.623 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.456 1.413 12.332 1.00 0.00 H new ATOM 423 N LEU A 31 -7.535 2.405 9.952 1.00 0.00 N ATOM 424 CA LEU A 31 -6.971 2.393 8.612 1.00 0.00 C ATOM 425 C LEU A 31 -5.596 3.062 8.636 1.00 0.00 C ATOM 426 O LEU A 31 -5.375 4.009 9.390 1.00 0.00 O ATOM 427 CB LEU A 31 -7.945 3.025 7.616 1.00 0.00 C ATOM 428 CG LEU A 31 -9.406 2.586 7.736 1.00 0.00 C ATOM 429 CD1 LEU A 31 -10.178 3.502 8.688 1.00 0.00 C ATOM 430 CD2 LEU A 31 -10.068 2.503 6.359 1.00 0.00 C ATOM 0 H LEU A 31 -7.539 3.319 10.405 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.821 1.369 8.271 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.901 4.108 7.732 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.600 2.799 6.607 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.427 1.584 8.165 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.213 3.168 8.755 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.721 3.467 9.677 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.151 4.524 8.311 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.106 2.189 6.472 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.035 3.482 5.880 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.535 1.779 5.742 1.00 0.00 H new ATOM 442 N GLU A 32 -4.706 2.543 7.803 1.00 0.00 N ATOM 443 CA GLU A 32 -3.358 3.078 7.719 1.00 0.00 C ATOM 444 C GLU A 32 -2.986 3.355 6.261 1.00 0.00 C ATOM 445 O GLU A 32 -2.855 2.428 5.463 1.00 0.00 O ATOM 446 CB GLU A 32 -2.350 2.129 8.371 1.00 0.00 C ATOM 447 CG GLU A 32 -1.798 2.723 9.669 1.00 0.00 C ATOM 448 CD GLU A 32 -1.037 1.668 10.474 1.00 0.00 C ATOM 449 OE1 GLU A 32 -0.410 0.803 9.826 1.00 0.00 O ATOM 450 OE2 GLU A 32 -1.099 1.751 11.720 1.00 0.00 O ATOM 0 H GLU A 32 -4.892 1.757 7.180 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.328 4.020 8.266 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.828 1.172 8.579 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.531 1.932 7.680 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.136 3.557 9.439 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.617 3.122 10.268 1.00 0.00 H new ATOM 457 N VAL A 33 -2.827 4.634 5.957 1.00 0.00 N ATOM 458 CA VAL A 33 -2.473 5.045 4.609 1.00 0.00 C ATOM 459 C VAL A 33 -1.178 5.859 4.651 1.00 0.00 C ATOM 460 O VAL A 33 -1.132 6.928 5.258 1.00 0.00 O ATOM 461 CB VAL A 33 -3.637 5.806 3.971 1.00 0.00 C ATOM 462 CG1 VAL A 33 -4.368 6.660 5.009 1.00 0.00 C ATOM 463 CG2 VAL A 33 -3.155 6.662 2.798 1.00 0.00 C ATOM 0 H VAL A 33 -2.937 5.400 6.621 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.288 4.174 3.981 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.344 5.073 3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.191 7.190 4.530 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.761 6.018 5.797 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.674 7.381 5.441 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.002 7.192 2.362 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.419 7.383 3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.701 6.021 2.042 1.00 0.00 H new ATOM 473 N ARG A 34 -0.157 5.321 4.000 1.00 0.00 N ATOM 474 CA ARG A 34 1.135 5.984 3.956 1.00 0.00 C ATOM 475 C ARG A 34 1.380 6.578 2.567 1.00 0.00 C ATOM 476 O ARG A 34 1.284 5.875 1.562 1.00 0.00 O ATOM 477 CB ARG A 34 2.265 5.011 4.293 1.00 0.00 C ATOM 478 CG ARG A 34 2.505 4.951 5.803 1.00 0.00 C ATOM 479 CD ARG A 34 2.652 3.504 6.278 1.00 0.00 C ATOM 480 NE ARG A 34 2.934 3.474 7.731 1.00 0.00 N ATOM 481 CZ ARG A 34 4.121 3.781 8.272 1.00 0.00 C ATOM 482 NH1 ARG A 34 5.143 4.143 7.485 1.00 0.00 N ATOM 483 NH2 ARG A 34 4.285 3.727 9.601 1.00 0.00 N ATOM 0 H ARG A 34 -0.198 4.434 3.499 1.00 0.00 H new ATOM 0 HA ARG A 34 1.124 6.781 4.699 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.017 4.017 3.921 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.180 5.321 3.788 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.404 5.513 6.054 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.675 5.427 6.326 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.739 2.948 6.065 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.458 3.014 5.733 1.00 0.00 H new ATOM 0 HE ARG A 34 2.178 3.203 8.359 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.018 4.185 6.474 1.00 0.00 H new ATOM 0 HH12 ARG A 34 6.046 4.377 7.897 1.00 0.00 H new ATOM 0 HH21 ARG A 34 3.507 3.452 10.200 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.188 3.961 10.013 1.00 0.00 H new ATOM 497 N VAL A 35 1.691 7.865 2.555 1.00 0.00 N ATOM 498 CA VAL A 35 1.951 8.561 1.306 1.00 0.00 C ATOM 499 C VAL A 35 3.451 8.834 1.181 1.00 0.00 C ATOM 500 O VAL A 35 4.071 9.350 2.109 1.00 0.00 O ATOM 501 CB VAL A 35 1.104 9.833 1.230 1.00 0.00 C ATOM 502 CG1 VAL A 35 1.346 10.575 -0.086 1.00 0.00 C ATOM 503 CG2 VAL A 35 -0.381 9.515 1.415 1.00 0.00 C ATOM 0 H VAL A 35 1.769 8.445 3.390 1.00 0.00 H new ATOM 0 HA VAL A 35 1.662 7.942 0.457 1.00 0.00 H new ATOM 0 HB VAL A 35 1.410 10.488 2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.732 11.475 -0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.398 10.851 -0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.081 9.928 -0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.960 10.436 1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.707 8.831 0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.535 9.051 2.389 1.00 0.00 H new ATOM 513 N PRO A 36 4.006 8.464 -0.005 1.00 0.00 N ATOM 514 CA PRO A 36 5.422 8.663 -0.263 1.00 0.00 C ATOM 515 C PRO A 36 5.726 10.137 -0.540 1.00 0.00 C ATOM 516 O PRO A 36 4.968 10.811 -1.235 1.00 0.00 O ATOM 517 CB PRO A 36 5.737 7.759 -1.443 1.00 0.00 C ATOM 518 CG PRO A 36 4.401 7.443 -2.095 1.00 0.00 C ATOM 519 CD PRO A 36 3.302 7.849 -1.126 1.00 0.00 C ATOM 0 HA PRO A 36 6.046 8.409 0.594 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.407 8.254 -2.146 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.236 6.848 -1.114 1.00 0.00 H new ATOM 0 HG2 PRO A 36 4.298 7.983 -3.036 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.332 6.380 -2.328 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.605 8.548 -1.588 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.720 6.986 -0.803 1.00 0.00 H new ATOM 527 N VAL A 37 6.838 10.593 0.018 1.00 0.00 N ATOM 528 CA VAL A 37 7.252 11.974 -0.160 1.00 0.00 C ATOM 529 C VAL A 37 8.665 12.007 -0.747 1.00 0.00 C ATOM 530 O VAL A 37 9.407 11.031 -0.642 1.00 0.00 O ATOM 531 CB VAL A 37 7.138 12.730 1.165 1.00 0.00 C ATOM 532 CG1 VAL A 37 5.699 12.711 1.685 1.00 0.00 C ATOM 533 CG2 VAL A 37 8.104 12.162 2.206 1.00 0.00 C ATOM 0 H VAL A 37 7.465 10.030 0.593 1.00 0.00 H new ATOM 0 HA VAL A 37 6.594 12.481 -0.866 1.00 0.00 H new ATOM 0 HB VAL A 37 7.415 13.768 0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.646 13.255 2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.042 13.184 0.955 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.383 11.680 1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.002 12.718 3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.872 11.112 2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.127 12.251 1.840 1.00 0.00 H new ATOM 543 N PRO A 38 9.004 13.169 -1.367 1.00 0.00 N ATOM 544 CA PRO A 38 10.314 13.341 -1.970 1.00 0.00 C ATOM 545 C PRO A 38 11.386 13.560 -0.900 1.00 0.00 C ATOM 546 O PRO A 38 11.077 13.627 0.289 1.00 0.00 O ATOM 547 CB PRO A 38 10.162 14.527 -2.909 1.00 0.00 C ATOM 548 CG PRO A 38 8.912 15.261 -2.454 1.00 0.00 C ATOM 549 CD PRO A 38 8.151 14.345 -1.509 1.00 0.00 C ATOM 0 HA PRO A 38 10.645 12.457 -2.515 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.036 15.177 -2.862 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.066 14.197 -3.943 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.177 16.192 -1.952 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.292 15.526 -3.310 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.976 14.826 -0.547 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.175 14.080 -1.915 1.00 0.00 H new ATOM 557 N LYS A 39 12.624 13.664 -1.360 1.00 0.00 N ATOM 558 CA LYS A 39 13.743 13.873 -0.457 1.00 0.00 C ATOM 559 C LYS A 39 13.902 15.371 -0.187 1.00 0.00 C ATOM 560 O LYS A 39 14.914 15.803 0.362 1.00 0.00 O ATOM 561 CB LYS A 39 15.007 13.211 -1.008 1.00 0.00 C ATOM 562 CG LYS A 39 14.711 11.795 -1.508 1.00 0.00 C ATOM 563 CD LYS A 39 14.974 10.760 -0.412 1.00 0.00 C ATOM 564 CE LYS A 39 16.013 9.733 -0.867 1.00 0.00 C ATOM 565 NZ LYS A 39 15.767 8.425 -0.219 1.00 0.00 N ATOM 0 H LYS A 39 12.877 13.607 -2.347 1.00 0.00 H new ATOM 0 HA LYS A 39 13.552 13.394 0.503 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.410 13.811 -1.823 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.771 13.174 -0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.673 11.730 -1.833 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.331 11.575 -2.377 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.324 11.261 0.490 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.044 10.253 -0.155 1.00 0.00 H new ATOM 0 HE2 LYS A 39 15.973 9.622 -1.951 1.00 0.00 H new ATOM 0 HE3 LYS A 39 17.014 10.086 -0.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 16.481 7.740 -0.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.828 8.532 0.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.819 8.083 -0.476 1.00 0.00 H new ATOM 579 N HIS A 40 12.886 16.123 -0.587 1.00 0.00 N ATOM 580 CA HIS A 40 12.900 17.563 -0.395 1.00 0.00 C ATOM 581 C HIS A 40 11.813 17.958 0.607 1.00 0.00 C ATOM 582 O HIS A 40 11.693 19.127 0.968 1.00 0.00 O ATOM 583 CB HIS A 40 12.765 18.291 -1.734 1.00 0.00 C ATOM 584 CG HIS A 40 11.362 18.296 -2.292 1.00 0.00 C ATOM 585 ND1 HIS A 40 11.018 17.642 -3.462 1.00 0.00 N ATOM 586 CD2 HIS A 40 10.221 18.881 -1.827 1.00 0.00 C ATOM 587 CE1 HIS A 40 9.725 17.832 -3.683 1.00 0.00 C ATOM 588 NE2 HIS A 40 9.233 18.601 -2.669 1.00 0.00 N ATOM 0 H HIS A 40 12.048 15.762 -1.043 1.00 0.00 H new ATOM 0 HA HIS A 40 13.859 17.868 0.023 1.00 0.00 H new ATOM 0 HB2 HIS A 40 13.100 19.321 -1.611 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.432 17.824 -2.459 1.00 0.00 H new ATOM 0 HD1 HIS A 40 11.652 17.105 -4.054 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.136 19.472 -0.927 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.160 17.446 -4.519 1.00 0.00 H new ATOM 596 N VAL A 41 11.049 16.960 1.026 1.00 0.00 N ATOM 597 CA VAL A 41 9.976 17.188 1.979 1.00 0.00 C ATOM 598 C VAL A 41 10.434 16.749 3.371 1.00 0.00 C ATOM 599 O VAL A 41 10.482 15.556 3.665 1.00 0.00 O ATOM 600 CB VAL A 41 8.704 16.475 1.515 1.00 0.00 C ATOM 601 CG1 VAL A 41 7.725 16.290 2.676 1.00 0.00 C ATOM 602 CG2 VAL A 41 8.045 17.227 0.357 1.00 0.00 C ATOM 0 H VAL A 41 11.152 15.991 0.723 1.00 0.00 H new ATOM 0 HA VAL A 41 9.735 18.249 2.036 1.00 0.00 H new ATOM 0 HB VAL A 41 8.987 15.486 1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.830 15.781 2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.195 15.692 3.457 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.452 17.265 3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.143 16.699 0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.783 18.234 0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.739 17.284 -0.482 1.00 0.00 H new ATOM 612 N VAL A 42 10.759 17.738 4.191 1.00 0.00 N ATOM 613 CA VAL A 42 11.211 17.468 5.546 1.00 0.00 C ATOM 614 C VAL A 42 10.340 18.246 6.534 1.00 0.00 C ATOM 615 O VAL A 42 9.996 17.736 7.599 1.00 0.00 O ATOM 616 CB VAL A 42 12.700 17.796 5.675 1.00 0.00 C ATOM 617 CG1 VAL A 42 13.555 16.765 4.935 1.00 0.00 C ATOM 618 CG2 VAL A 42 12.995 19.212 5.177 1.00 0.00 C ATOM 0 H VAL A 42 10.718 18.727 3.944 1.00 0.00 H new ATOM 0 HA VAL A 42 11.103 16.409 5.781 1.00 0.00 H new ATOM 0 HB VAL A 42 12.962 17.752 6.732 1.00 0.00 H new ATOM 0 HG11 VAL A 42 14.609 17.022 5.043 1.00 0.00 H new ATOM 0 HG12 VAL A 42 13.378 15.775 5.356 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.288 16.762 3.878 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.060 19.419 5.280 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.709 19.296 4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 42 12.427 19.931 5.767 1.00 0.00 H new ATOM 628 N LYS A 43 10.007 19.468 6.145 1.00 0.00 N ATOM 629 CA LYS A 43 9.182 20.321 6.984 1.00 0.00 C ATOM 630 C LYS A 43 7.710 19.956 6.784 1.00 0.00 C ATOM 631 O LYS A 43 7.278 19.697 5.662 1.00 0.00 O ATOM 632 CB LYS A 43 9.491 21.796 6.717 1.00 0.00 C ATOM 633 CG LYS A 43 10.631 22.288 7.611 1.00 0.00 C ATOM 634 CD LYS A 43 10.791 23.806 7.510 1.00 0.00 C ATOM 635 CE LYS A 43 12.151 24.175 6.914 1.00 0.00 C ATOM 636 NZ LYS A 43 12.094 24.147 5.435 1.00 0.00 N ATOM 0 H LYS A 43 10.293 19.888 5.261 1.00 0.00 H new ATOM 0 HA LYS A 43 9.412 20.156 8.037 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.761 21.931 5.670 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.599 22.396 6.896 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.433 22.008 8.646 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.562 21.801 7.321 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.994 24.219 6.891 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.690 24.253 8.499 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.446 25.168 7.254 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.911 23.478 7.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.025 24.400 5.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.833 23.192 5.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.383 24.829 5.102 1.00 0.00 H new ATOM 650 N GLY A 44 6.980 19.946 7.890 1.00 0.00 N ATOM 651 CA GLY A 44 5.565 19.617 7.850 1.00 0.00 C ATOM 652 C GLY A 44 4.751 20.766 7.251 1.00 0.00 C ATOM 653 O GLY A 44 3.534 20.660 7.109 1.00 0.00 O ATOM 0 H GLY A 44 7.342 20.160 8.819 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.415 18.714 7.259 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.210 19.402 8.858 1.00 0.00 H new ATOM 657 N LYS A 45 5.456 21.836 6.917 1.00 0.00 N ATOM 658 CA LYS A 45 4.814 23.004 6.337 1.00 0.00 C ATOM 659 C LYS A 45 4.857 22.899 4.811 1.00 0.00 C ATOM 660 O LYS A 45 4.203 23.672 4.114 1.00 0.00 O ATOM 661 CB LYS A 45 5.443 24.288 6.883 1.00 0.00 C ATOM 662 CG LYS A 45 6.751 24.610 6.156 1.00 0.00 C ATOM 663 CD LYS A 45 6.523 25.640 5.048 1.00 0.00 C ATOM 664 CE LYS A 45 7.495 26.813 5.182 1.00 0.00 C ATOM 665 NZ LYS A 45 6.915 28.037 4.585 1.00 0.00 N ATOM 0 H LYS A 45 6.466 21.919 7.037 1.00 0.00 H new ATOM 0 HA LYS A 45 3.763 23.044 6.625 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.745 25.117 6.767 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.634 24.178 7.951 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.482 24.992 6.868 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.168 23.698 5.729 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.651 25.167 4.075 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.497 26.006 5.092 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.722 26.987 6.234 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.436 26.571 4.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.588 28.824 4.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.721 27.873 3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.029 28.275 5.074 1.00 0.00 H new ATOM 679 N GLN A 46 5.634 21.936 4.338 1.00 0.00 N ATOM 680 CA GLN A 46 5.771 21.719 2.908 1.00 0.00 C ATOM 681 C GLN A 46 4.793 20.640 2.438 1.00 0.00 C ATOM 682 O GLN A 46 4.956 20.077 1.357 1.00 0.00 O ATOM 683 CB GLN A 46 7.210 21.350 2.544 1.00 0.00 C ATOM 684 CG GLN A 46 8.199 21.947 3.547 1.00 0.00 C ATOM 685 CD GLN A 46 9.639 21.801 3.050 1.00 0.00 C ATOM 686 OE1 GLN A 46 10.035 20.540 2.901 1.00 0.00 O flip ATOM 687 NE2 GLN A 46 10.344 22.770 2.818 1.00 0.00 N flip ATOM 0 H GLN A 46 6.175 21.297 4.920 1.00 0.00 H new ATOM 0 HA GLN A 46 5.529 22.650 2.395 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.317 20.265 2.524 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.440 21.712 1.542 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.970 23.001 3.705 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.091 21.449 4.510 1.00 0.00 H new ATOM 0 HE21 GLN A 46 9.977 23.712 2.954 1.00 0.00 H new ATOM 0 HE22 GLN A 46 11.300 22.638 2.488 1.00 0.00 H new ATOM 696 N VAL A 47 3.797 20.385 3.274 1.00 0.00 N ATOM 697 CA VAL A 47 2.793 19.383 2.958 1.00 0.00 C ATOM 698 C VAL A 47 1.453 19.801 3.569 1.00 0.00 C ATOM 699 O VAL A 47 1.380 20.119 4.754 1.00 0.00 O ATOM 700 CB VAL A 47 3.261 18.005 3.430 1.00 0.00 C ATOM 701 CG1 VAL A 47 3.902 17.221 2.283 1.00 0.00 C ATOM 702 CG2 VAL A 47 4.223 18.129 4.614 1.00 0.00 C ATOM 0 H VAL A 47 3.664 20.855 4.170 1.00 0.00 H new ATOM 0 HA VAL A 47 2.651 19.311 1.880 1.00 0.00 H new ATOM 0 HB VAL A 47 2.385 17.451 3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.226 16.245 2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.175 17.087 1.482 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.763 17.771 1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.541 17.135 4.930 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.095 18.711 4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.719 18.629 5.441 1.00 0.00 H new ATOM 712 N SER A 48 0.427 19.786 2.730 1.00 0.00 N ATOM 713 CA SER A 48 -0.906 20.158 3.173 1.00 0.00 C ATOM 714 C SER A 48 -1.747 18.904 3.415 1.00 0.00 C ATOM 715 O SER A 48 -1.945 18.100 2.505 1.00 0.00 O ATOM 716 CB SER A 48 -1.591 21.068 2.150 1.00 0.00 C ATOM 717 OG SER A 48 -0.660 21.639 1.235 1.00 0.00 O ATOM 0 H SER A 48 0.492 19.522 1.747 1.00 0.00 H new ATOM 0 HA SER A 48 -0.814 20.711 4.108 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.337 20.496 1.598 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.122 21.865 2.672 1.00 0.00 H new ATOM 0 HG SER A 48 -1.136 22.211 0.598 1.00 0.00 H new ATOM 723 N VAL A 49 -2.219 18.775 4.646 1.00 0.00 N ATOM 724 CA VAL A 49 -3.035 17.631 5.019 1.00 0.00 C ATOM 725 C VAL A 49 -4.319 18.123 5.688 1.00 0.00 C ATOM 726 O VAL A 49 -4.274 18.965 6.584 1.00 0.00 O ATOM 727 CB VAL A 49 -2.227 16.679 5.903 1.00 0.00 C ATOM 728 CG1 VAL A 49 -3.136 15.639 6.562 1.00 0.00 C ATOM 729 CG2 VAL A 49 -1.111 16.003 5.103 1.00 0.00 C ATOM 0 H VAL A 49 -2.052 19.443 5.398 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.326 17.064 4.135 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.763 17.268 6.694 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.537 14.975 7.185 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.879 16.144 7.180 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.641 15.056 5.791 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.552 15.332 5.755 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.546 15.433 4.282 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.440 16.762 4.702 1.00 0.00 H new ATOM 739 N ALA A 50 -5.435 17.578 5.228 1.00 0.00 N ATOM 740 CA ALA A 50 -6.730 17.950 5.771 1.00 0.00 C ATOM 741 C ALA A 50 -7.485 16.687 6.190 1.00 0.00 C ATOM 742 O ALA A 50 -7.884 15.888 5.344 1.00 0.00 O ATOM 743 CB ALA A 50 -7.501 18.773 4.736 1.00 0.00 C ATOM 0 H ALA A 50 -5.469 16.881 4.484 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.609 18.572 6.658 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.473 19.052 5.144 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.937 19.674 4.494 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.643 18.180 3.832 1.00 0.00 H new ATOM 749 N LEU A 51 -7.659 16.547 7.496 1.00 0.00 N ATOM 750 CA LEU A 51 -8.359 15.395 8.038 1.00 0.00 C ATOM 751 C LEU A 51 -9.845 15.729 8.185 1.00 0.00 C ATOM 752 O LEU A 51 -10.211 16.633 8.934 1.00 0.00 O ATOM 753 CB LEU A 51 -7.702 14.932 9.340 1.00 0.00 C ATOM 754 CG LEU A 51 -6.458 14.055 9.188 1.00 0.00 C ATOM 755 CD1 LEU A 51 -5.987 13.531 10.546 1.00 0.00 C ATOM 756 CD2 LEU A 51 -6.704 12.922 8.190 1.00 0.00 C ATOM 0 H LEU A 51 -7.327 17.212 8.195 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.287 14.550 7.353 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.432 15.814 9.921 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.442 14.381 9.921 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.654 14.670 8.784 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.101 12.910 10.409 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.744 14.372 11.196 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.779 12.937 11.002 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.804 12.314 8.101 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.528 12.301 8.541 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.955 13.343 7.216 1.00 0.00 H new ATOM 768 N SER A 52 -10.662 14.981 7.457 1.00 0.00 N ATOM 769 CA SER A 52 -12.099 15.186 7.496 1.00 0.00 C ATOM 770 C SER A 52 -12.792 13.937 8.045 1.00 0.00 C ATOM 771 O SER A 52 -12.167 12.887 8.183 1.00 0.00 O ATOM 772 CB SER A 52 -12.645 15.529 6.108 1.00 0.00 C ATOM 773 OG SER A 52 -11.837 16.494 5.440 1.00 0.00 O ATOM 0 H SER A 52 -10.355 14.232 6.837 1.00 0.00 H new ATOM 0 HA SER A 52 -12.306 16.028 8.156 1.00 0.00 H new ATOM 0 HB2 SER A 52 -12.699 14.622 5.506 1.00 0.00 H new ATOM 0 HB3 SER A 52 -13.662 15.910 6.202 1.00 0.00 H new ATOM 0 HG SER A 52 -12.218 16.685 4.557 1.00 0.00 H new ATOM 779 N SER A 53 -14.073 14.093 8.344 1.00 0.00 N ATOM 780 CA SER A 53 -14.857 12.991 8.875 1.00 0.00 C ATOM 781 C SER A 53 -15.143 11.972 7.770 1.00 0.00 C ATOM 782 O SER A 53 -15.219 10.772 8.031 1.00 0.00 O ATOM 783 CB SER A 53 -16.166 13.491 9.488 1.00 0.00 C ATOM 784 OG SER A 53 -15.975 14.668 10.269 1.00 0.00 O ATOM 0 H SER A 53 -14.588 14.966 8.229 1.00 0.00 H new ATOM 0 HA SER A 53 -14.279 12.509 9.664 1.00 0.00 H new ATOM 0 HB2 SER A 53 -16.883 13.696 8.693 1.00 0.00 H new ATOM 0 HB3 SER A 53 -16.596 12.708 10.112 1.00 0.00 H new ATOM 0 HG SER A 53 -16.834 14.956 10.642 1.00 0.00 H new ATOM 790 N SER A 54 -15.296 12.488 6.559 1.00 0.00 N ATOM 791 CA SER A 54 -15.572 11.638 5.413 1.00 0.00 C ATOM 792 C SER A 54 -14.758 12.107 4.206 1.00 0.00 C ATOM 793 O SER A 54 -15.250 12.095 3.078 1.00 0.00 O ATOM 794 CB SER A 54 -17.065 11.635 5.078 1.00 0.00 C ATOM 795 OG SER A 54 -17.482 12.862 4.487 1.00 0.00 O ATOM 0 H SER A 54 -15.234 13.484 6.347 1.00 0.00 H new ATOM 0 HA SER A 54 -15.281 10.618 5.665 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.282 10.812 4.397 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.640 11.456 5.987 1.00 0.00 H new ATOM 0 HG SER A 54 -18.440 12.819 4.286 1.00 0.00 H new ATOM 801 N SER A 55 -13.526 12.507 4.482 1.00 0.00 N ATOM 802 CA SER A 55 -12.639 12.979 3.433 1.00 0.00 C ATOM 803 C SER A 55 -11.209 13.087 3.966 1.00 0.00 C ATOM 804 O SER A 55 -10.971 12.898 5.158 1.00 0.00 O ATOM 805 CB SER A 55 -13.104 14.329 2.883 1.00 0.00 C ATOM 806 OG SER A 55 -14.152 14.184 1.929 1.00 0.00 O ATOM 0 H SER A 55 -13.121 12.514 5.418 1.00 0.00 H new ATOM 0 HA SER A 55 -12.662 12.258 2.616 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.447 14.957 3.705 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.261 14.842 2.420 1.00 0.00 H new ATOM 0 HG SER A 55 -14.751 13.461 2.209 1.00 0.00 H new ATOM 812 N ILE A 56 -10.294 13.390 3.056 1.00 0.00 N ATOM 813 CA ILE A 56 -8.894 13.526 3.420 1.00 0.00 C ATOM 814 C ILE A 56 -8.146 14.245 2.295 1.00 0.00 C ATOM 815 O ILE A 56 -8.554 14.184 1.136 1.00 0.00 O ATOM 816 CB ILE A 56 -8.299 12.163 3.781 1.00 0.00 C ATOM 817 CG1 ILE A 56 -6.910 12.318 4.402 1.00 0.00 C ATOM 818 CG2 ILE A 56 -8.283 11.233 2.566 1.00 0.00 C ATOM 819 CD1 ILE A 56 -5.855 12.588 3.327 1.00 0.00 C ATOM 0 H ILE A 56 -10.495 13.545 2.068 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.791 14.140 4.315 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.938 11.700 4.533 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -6.919 13.137 5.121 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.651 11.413 4.952 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.855 10.271 2.850 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -9.302 11.086 2.207 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.680 11.679 1.775 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.877 12.694 3.796 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.832 11.756 2.623 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.104 13.506 2.795 1.00 0.00 H new ATOM 831 N ARG A 57 -7.065 14.909 2.676 1.00 0.00 N ATOM 832 CA ARG A 57 -6.257 15.638 1.714 1.00 0.00 C ATOM 833 C ARG A 57 -4.769 15.399 1.980 1.00 0.00 C ATOM 834 O ARG A 57 -4.326 15.436 3.127 1.00 0.00 O ATOM 835 CB ARG A 57 -6.544 17.139 1.779 1.00 0.00 C ATOM 836 CG ARG A 57 -6.420 17.782 0.396 1.00 0.00 C ATOM 837 CD ARG A 57 -5.654 19.105 0.473 1.00 0.00 C ATOM 838 NE ARG A 57 -5.412 19.629 -0.890 1.00 0.00 N ATOM 839 CZ ARG A 57 -4.647 20.696 -1.159 1.00 0.00 C ATOM 840 NH1 ARG A 57 -4.045 21.357 -0.162 1.00 0.00 N ATOM 841 NH2 ARG A 57 -4.484 21.100 -2.426 1.00 0.00 N ATOM 0 H ARG A 57 -6.730 14.957 3.638 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.515 15.272 0.720 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.547 17.304 2.172 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.849 17.616 2.469 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.907 17.100 -0.282 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.413 17.956 -0.018 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.222 19.831 1.055 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.705 18.956 0.988 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.855 19.148 -1.673 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.169 21.048 0.802 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.463 22.169 -0.367 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.942 20.596 -3.185 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.902 21.912 -2.631 1.00 0.00 H new ATOM 855 N VAL A 58 -4.039 15.159 0.901 1.00 0.00 N ATOM 856 CA VAL A 58 -2.610 14.914 1.004 1.00 0.00 C ATOM 857 C VAL A 58 -1.896 15.588 -0.169 1.00 0.00 C ATOM 858 O VAL A 58 -1.951 15.101 -1.297 1.00 0.00 O ATOM 859 CB VAL A 58 -2.342 13.409 1.083 1.00 0.00 C ATOM 860 CG1 VAL A 58 -0.892 13.131 1.487 1.00 0.00 C ATOM 861 CG2 VAL A 58 -3.319 12.727 2.042 1.00 0.00 C ATOM 0 H VAL A 58 -4.410 15.129 -0.049 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.212 15.350 1.920 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.500 12.988 0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.728 12.055 1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.219 13.568 0.749 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.695 13.573 2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.106 11.659 2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.208 13.154 3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.340 12.882 1.692 1.00 0.00 H new ATOM 871 N ALA A 59 -1.241 16.698 0.138 1.00 0.00 N ATOM 872 CA ALA A 59 -0.516 17.444 -0.877 1.00 0.00 C ATOM 873 C ALA A 59 0.884 17.776 -0.357 1.00 0.00 C ATOM 874 O ALA A 59 1.101 17.845 0.851 1.00 0.00 O ATOM 875 CB ALA A 59 -1.310 18.696 -1.254 1.00 0.00 C ATOM 0 H ALA A 59 -1.197 17.099 1.075 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.399 16.847 -1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.767 19.256 -2.015 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.285 18.405 -1.645 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.445 19.321 -0.371 1.00 0.00 H new ATOM 881 N MET A 60 1.798 17.972 -1.296 1.00 0.00 N ATOM 882 CA MET A 60 3.171 18.295 -0.948 1.00 0.00 C ATOM 883 C MET A 60 3.679 19.485 -1.765 1.00 0.00 C ATOM 884 O MET A 60 3.421 19.574 -2.965 1.00 0.00 O ATOM 885 CB MET A 60 4.063 17.079 -1.208 1.00 0.00 C ATOM 886 CG MET A 60 3.852 16.537 -2.624 1.00 0.00 C ATOM 887 SD MET A 60 5.421 16.083 -3.343 1.00 0.00 S ATOM 888 CE MET A 60 6.312 17.617 -3.139 1.00 0.00 C ATOM 0 H MET A 60 1.614 17.913 -2.298 1.00 0.00 H new ATOM 0 HA MET A 60 3.205 18.563 0.108 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.109 17.355 -1.072 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.842 16.299 -0.479 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.191 15.671 -2.596 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.364 17.291 -3.242 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.981 17.765 -3.987 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.604 18.445 -3.086 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.895 17.579 -2.219 1.00 0.00 H new ATOM 898 N LEU A 61 4.391 20.370 -1.083 1.00 0.00 N ATOM 899 CA LEU A 61 4.937 21.550 -1.731 1.00 0.00 C ATOM 900 C LEU A 61 6.124 21.144 -2.607 1.00 0.00 C ATOM 901 O LEU A 61 6.992 20.390 -2.170 1.00 0.00 O ATOM 902 CB LEU A 61 5.278 22.621 -0.693 1.00 0.00 C ATOM 903 CG LEU A 61 4.098 23.184 0.103 1.00 0.00 C ATOM 904 CD1 LEU A 61 4.472 24.504 0.779 1.00 0.00 C ATOM 905 CD2 LEU A 61 2.858 23.326 -0.783 1.00 0.00 C ATOM 0 H LEU A 61 4.602 20.293 -0.088 1.00 0.00 H new ATOM 0 HA LEU A 61 4.194 22.000 -2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.998 22.201 0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.774 23.447 -1.202 1.00 0.00 H new ATOM 0 HG LEU A 61 3.851 22.476 0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.616 24.882 1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.306 24.340 1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.761 25.232 0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.034 23.728 -0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.077 24.002 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.579 22.349 -1.178 1.00 0.00 H new ATOM 917 N GLU A 62 6.122 21.660 -3.827 1.00 0.00 N ATOM 918 CA GLU A 62 7.188 21.360 -4.768 1.00 0.00 C ATOM 919 C GLU A 62 8.214 22.495 -4.787 1.00 0.00 C ATOM 920 O GLU A 62 9.366 22.301 -4.403 1.00 0.00 O ATOM 921 CB GLU A 62 6.626 21.105 -6.168 1.00 0.00 C ATOM 922 CG GLU A 62 6.094 19.676 -6.292 1.00 0.00 C ATOM 923 CD GLU A 62 7.156 18.744 -6.880 1.00 0.00 C ATOM 924 OE1 GLU A 62 8.351 19.037 -6.662 1.00 0.00 O ATOM 925 OE2 GLU A 62 6.748 17.760 -7.534 1.00 0.00 O ATOM 0 H GLU A 62 5.399 22.284 -4.186 1.00 0.00 H new ATOM 0 HA GLU A 62 7.690 20.449 -4.442 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.826 21.815 -6.377 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.404 21.273 -6.913 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.788 19.312 -5.311 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.207 19.668 -6.926 1.00 0.00 H new ATOM 932 N GLU A 63 7.758 23.655 -5.238 1.00 0.00 N ATOM 933 CA GLU A 63 8.621 24.821 -5.313 1.00 0.00 C ATOM 934 C GLU A 63 7.801 26.069 -5.642 1.00 0.00 C ATOM 935 O GLU A 63 7.677 26.971 -4.814 1.00 0.00 O ATOM 936 CB GLU A 63 9.737 24.612 -6.338 1.00 0.00 C ATOM 937 CG GLU A 63 11.095 24.460 -5.649 1.00 0.00 C ATOM 938 CD GLU A 63 12.192 25.180 -6.435 1.00 0.00 C ATOM 939 OE1 GLU A 63 12.441 24.752 -7.583 1.00 0.00 O ATOM 940 OE2 GLU A 63 12.758 26.141 -5.871 1.00 0.00 O ATOM 0 H GLU A 63 6.801 23.812 -5.555 1.00 0.00 H new ATOM 0 HA GLU A 63 9.089 24.965 -4.339 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.526 23.724 -6.934 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.767 25.457 -7.025 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.041 24.865 -4.638 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.343 23.403 -5.556 1.00 0.00 H new ATOM 947 N ASN A 64 7.262 26.082 -6.852 1.00 0.00 N ATOM 948 CA ASN A 64 6.456 27.205 -7.301 1.00 0.00 C ATOM 949 C ASN A 64 4.989 26.947 -6.951 1.00 0.00 C ATOM 950 O ASN A 64 4.144 27.825 -7.118 1.00 0.00 O ATOM 951 CB ASN A 64 6.556 27.383 -8.817 1.00 0.00 C ATOM 952 CG ASN A 64 6.655 28.864 -9.190 1.00 0.00 C ATOM 953 OD1 ASN A 64 7.271 29.663 -8.504 1.00 0.00 O ATOM 954 ND2 ASN A 64 6.016 29.183 -10.311 1.00 0.00 N ATOM 0 H ASN A 64 7.368 25.333 -7.536 1.00 0.00 H new ATOM 0 HA ASN A 64 6.825 28.104 -6.807 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.430 26.851 -9.192 1.00 0.00 H new ATOM 0 HB3 ASN A 64 5.683 26.941 -9.297 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.022 30.147 -10.645 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.519 28.464 -10.837 1.00 0.00 H new ATOM 961 N GLY A 65 4.732 25.739 -6.471 1.00 0.00 N ATOM 962 CA GLY A 65 3.382 25.355 -6.096 1.00 0.00 C ATOM 963 C GLY A 65 3.392 24.100 -5.220 1.00 0.00 C ATOM 964 O GLY A 65 4.179 24.002 -4.280 1.00 0.00 O ATOM 0 H GLY A 65 5.436 25.014 -6.333 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.903 26.174 -5.559 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.790 25.172 -6.993 1.00 0.00 H new ATOM 968 N GLU A 66 2.510 23.172 -5.561 1.00 0.00 N ATOM 969 CA GLU A 66 2.407 21.928 -4.817 1.00 0.00 C ATOM 970 C GLU A 66 1.710 20.860 -5.662 1.00 0.00 C ATOM 971 O GLU A 66 1.356 21.109 -6.814 1.00 0.00 O ATOM 972 CB GLU A 66 1.676 22.141 -3.490 1.00 0.00 C ATOM 973 CG GLU A 66 0.159 22.138 -3.694 1.00 0.00 C ATOM 974 CD GLU A 66 -0.265 23.234 -4.674 1.00 0.00 C ATOM 975 OE1 GLU A 66 0.155 24.390 -4.449 1.00 0.00 O ATOM 976 OE2 GLU A 66 -0.999 22.891 -5.626 1.00 0.00 O ATOM 0 H GLU A 66 1.860 23.257 -6.343 1.00 0.00 H new ATOM 0 HA GLU A 66 3.414 21.581 -4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.954 21.355 -2.787 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.985 23.088 -3.048 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.159 21.166 -4.071 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.340 22.288 -2.737 1.00 0.00 H new ATOM 983 N ARG A 67 1.534 19.695 -5.058 1.00 0.00 N ATOM 984 CA ARG A 67 0.885 18.588 -5.740 1.00 0.00 C ATOM 985 C ARG A 67 0.072 17.755 -4.748 1.00 0.00 C ATOM 986 O ARG A 67 0.506 17.530 -3.619 1.00 0.00 O ATOM 987 CB ARG A 67 1.913 17.688 -6.429 1.00 0.00 C ATOM 988 CG ARG A 67 1.226 16.533 -7.161 1.00 0.00 C ATOM 989 CD ARG A 67 2.035 16.103 -8.387 1.00 0.00 C ATOM 990 NE ARG A 67 1.123 15.660 -9.465 1.00 0.00 N ATOM 991 CZ ARG A 67 1.520 15.357 -10.708 1.00 0.00 C ATOM 992 NH1 ARG A 67 2.816 15.449 -11.039 1.00 0.00 N ATOM 993 NH2 ARG A 67 0.623 14.964 -11.622 1.00 0.00 N ATOM 0 H ARG A 67 1.830 19.493 -4.103 1.00 0.00 H new ATOM 0 HA ARG A 67 0.221 19.008 -6.496 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.499 18.274 -7.136 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.609 17.292 -5.689 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.108 15.687 -6.484 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.226 16.837 -7.469 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.649 16.933 -8.737 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.715 15.294 -8.119 1.00 0.00 H new ATOM 0 HE ARG A 67 0.130 15.580 -9.248 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.500 15.750 -10.344 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.118 15.218 -11.985 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.363 14.895 -11.372 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.926 14.734 -12.568 1.00 0.00 H new ATOM 1007 N VAL A 68 -1.094 17.321 -5.204 1.00 0.00 N ATOM 1008 CA VAL A 68 -1.972 16.518 -4.370 1.00 0.00 C ATOM 1009 C VAL A 68 -1.651 15.037 -4.577 1.00 0.00 C ATOM 1010 O VAL A 68 -2.055 14.444 -5.576 1.00 0.00 O ATOM 1011 CB VAL A 68 -3.433 16.860 -4.668 1.00 0.00 C ATOM 1012 CG1 VAL A 68 -4.378 16.060 -3.768 1.00 0.00 C ATOM 1013 CG2 VAL A 68 -3.684 18.363 -4.528 1.00 0.00 C ATOM 0 H VAL A 68 -1.451 17.510 -6.141 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.808 16.742 -3.316 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.638 16.581 -5.702 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.410 16.322 -4.000 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.227 14.994 -3.938 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.171 16.294 -2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.730 18.579 -4.745 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.452 18.677 -3.510 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.049 18.905 -5.229 1.00 0.00 H new ATOM 1023 N LEU A 69 -0.926 14.482 -3.616 1.00 0.00 N ATOM 1024 CA LEU A 69 -0.546 13.081 -3.681 1.00 0.00 C ATOM 1025 C LEU A 69 -1.798 12.210 -3.554 1.00 0.00 C ATOM 1026 O LEU A 69 -2.003 11.291 -4.345 1.00 0.00 O ATOM 1027 CB LEU A 69 0.528 12.768 -2.637 1.00 0.00 C ATOM 1028 CG LEU A 69 1.732 13.713 -2.610 1.00 0.00 C ATOM 1029 CD1 LEU A 69 2.649 13.398 -1.426 1.00 0.00 C ATOM 1030 CD2 LEU A 69 2.483 13.681 -3.942 1.00 0.00 C ATOM 0 H LEU A 69 -0.592 14.977 -2.789 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.095 12.854 -4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.062 12.776 -1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.890 11.755 -2.810 1.00 0.00 H new ATOM 0 HG LEU A 69 1.366 14.730 -2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.497 14.083 -1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.094 13.513 -0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.011 12.373 -1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.334 14.361 -3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.838 12.669 -4.136 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.814 13.991 -4.745 1.00 0.00 H new ATOM 1042 N MET A 70 -2.604 12.531 -2.552 1.00 0.00 N ATOM 1043 CA MET A 70 -3.830 11.790 -2.311 1.00 0.00 C ATOM 1044 C MET A 70 -4.935 12.712 -1.793 1.00 0.00 C ATOM 1045 O MET A 70 -4.706 13.515 -0.890 1.00 0.00 O ATOM 1046 CB MET A 70 -3.566 10.684 -1.287 1.00 0.00 C ATOM 1047 CG MET A 70 -4.875 10.039 -0.827 1.00 0.00 C ATOM 1048 SD MET A 70 -4.549 8.852 0.465 1.00 0.00 S ATOM 1049 CE MET A 70 -6.221 8.437 0.933 1.00 0.00 C ATOM 0 H MET A 70 -2.431 13.294 -1.898 1.00 0.00 H new ATOM 0 HA MET A 70 -4.159 11.353 -3.254 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.917 9.926 -1.725 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.038 11.098 -0.427 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.560 10.805 -0.464 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.364 9.548 -1.669 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.415 8.795 1.944 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.920 8.907 0.241 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.350 7.355 0.900 1.00 0.00 H new ATOM 1059 N GLU A 71 -6.110 12.567 -2.388 1.00 0.00 N ATOM 1060 CA GLU A 71 -7.252 13.377 -1.998 1.00 0.00 C ATOM 1061 C GLU A 71 -8.546 12.766 -2.539 1.00 0.00 C ATOM 1062 O GLU A 71 -8.543 12.127 -3.590 1.00 0.00 O ATOM 1063 CB GLU A 71 -7.087 14.822 -2.474 1.00 0.00 C ATOM 1064 CG GLU A 71 -8.235 15.699 -1.970 1.00 0.00 C ATOM 1065 CD GLU A 71 -9.466 15.559 -2.867 1.00 0.00 C ATOM 1066 OE1 GLU A 71 -9.294 15.709 -4.096 1.00 0.00 O ATOM 1067 OE2 GLU A 71 -10.553 15.304 -2.304 1.00 0.00 O ATOM 0 H GLU A 71 -6.296 11.901 -3.137 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.308 13.392 -0.910 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.137 15.220 -2.118 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.055 14.849 -3.563 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.491 15.418 -0.949 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.917 16.741 -1.943 1.00 0.00 H new ATOM 1074 N GLY A 72 -9.621 12.984 -1.796 1.00 0.00 N ATOM 1075 CA GLY A 72 -10.920 12.462 -2.188 1.00 0.00 C ATOM 1076 C GLY A 72 -11.773 12.136 -0.961 1.00 0.00 C ATOM 1077 O GLY A 72 -11.245 11.939 0.132 1.00 0.00 O ATOM 0 H GLY A 72 -9.620 13.515 -0.925 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.437 13.192 -2.811 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.788 11.565 -2.792 1.00 0.00 H new ATOM 1081 N LYS A 73 -13.079 12.090 -1.183 1.00 0.00 N ATOM 1082 CA LYS A 73 -14.010 11.792 -0.109 1.00 0.00 C ATOM 1083 C LYS A 73 -13.884 10.316 0.274 1.00 0.00 C ATOM 1084 O LYS A 73 -13.741 9.456 -0.593 1.00 0.00 O ATOM 1085 CB LYS A 73 -15.430 12.206 -0.500 1.00 0.00 C ATOM 1086 CG LYS A 73 -15.932 11.387 -1.691 1.00 0.00 C ATOM 1087 CD LYS A 73 -16.421 12.300 -2.817 1.00 0.00 C ATOM 1088 CE LYS A 73 -17.601 11.670 -3.560 1.00 0.00 C ATOM 1089 NZ LYS A 73 -18.694 12.654 -3.726 1.00 0.00 N ATOM 0 H LYS A 73 -13.514 12.254 -2.091 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.766 12.375 0.779 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -16.100 12.068 0.349 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -15.447 13.267 -0.750 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.131 10.746 -2.060 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -16.743 10.732 -1.371 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.719 13.264 -2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.606 12.490 -3.516 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.274 11.312 -4.536 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.965 10.803 -3.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -19.487 12.210 -4.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -19.017 12.976 -2.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.348 13.469 -4.272 1.00 0.00 H new ATOM 1103 N LEU A 74 -13.941 10.068 1.575 1.00 0.00 N ATOM 1104 CA LEU A 74 -13.835 8.711 2.083 1.00 0.00 C ATOM 1105 C LEU A 74 -15.150 7.971 1.828 1.00 0.00 C ATOM 1106 O LEU A 74 -16.149 8.584 1.455 1.00 0.00 O ATOM 1107 CB LEU A 74 -13.411 8.721 3.553 1.00 0.00 C ATOM 1108 CG LEU A 74 -12.073 9.398 3.860 1.00 0.00 C ATOM 1109 CD1 LEU A 74 -12.004 9.835 5.324 1.00 0.00 C ATOM 1110 CD2 LEU A 74 -10.901 8.493 3.476 1.00 0.00 C ATOM 0 H LEU A 74 -14.059 10.784 2.292 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.054 8.166 1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -14.189 9.219 4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.363 7.690 3.904 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.997 10.299 3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.043 10.313 5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -12.809 10.541 5.531 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.111 8.963 5.969 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.962 8.997 3.704 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -10.960 7.562 4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -10.945 8.274 2.409 1.00 0.00 H new ATOM 1122 N THR A 75 -15.107 6.664 2.039 1.00 0.00 N ATOM 1123 CA THR A 75 -16.282 5.834 1.836 1.00 0.00 C ATOM 1124 C THR A 75 -17.233 5.956 3.028 1.00 0.00 C ATOM 1125 O THR A 75 -18.442 6.101 2.851 1.00 0.00 O ATOM 1126 CB THR A 75 -15.811 4.401 1.579 1.00 0.00 C ATOM 1127 OG1 THR A 75 -15.046 4.074 2.736 1.00 0.00 O ATOM 1128 CG2 THR A 75 -14.804 4.313 0.430 1.00 0.00 C ATOM 0 H THR A 75 -14.277 6.159 2.349 1.00 0.00 H new ATOM 0 HA THR A 75 -16.854 6.164 0.969 1.00 0.00 H new ATOM 0 HB THR A 75 -16.672 3.771 1.357 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.187 3.690 2.462 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.502 3.275 0.289 1.00 0.00 H new ATOM 0 HG22 THR A 75 -15.264 4.684 -0.486 1.00 0.00 H new ATOM 0 HG23 THR A 75 -13.928 4.917 0.667 1.00 0.00 H new ATOM 1136 N HIS A 76 -16.652 5.892 4.217 1.00 0.00 N ATOM 1137 CA HIS A 76 -17.432 5.993 5.438 1.00 0.00 C ATOM 1138 C HIS A 76 -16.851 7.093 6.329 1.00 0.00 C ATOM 1139 O HIS A 76 -15.700 7.493 6.156 1.00 0.00 O ATOM 1140 CB HIS A 76 -17.514 4.639 6.145 1.00 0.00 C ATOM 1141 CG HIS A 76 -18.363 3.620 5.423 1.00 0.00 C ATOM 1142 ND1 HIS A 76 -17.845 2.449 4.898 1.00 0.00 N ATOM 1143 CD2 HIS A 76 -19.699 3.608 5.146 1.00 0.00 C ATOM 1144 CE1 HIS A 76 -18.832 1.771 4.332 1.00 0.00 C ATOM 1145 NE2 HIS A 76 -19.980 2.492 4.486 1.00 0.00 N ATOM 0 H HIS A 76 -15.649 5.771 4.360 1.00 0.00 H new ATOM 0 HA HIS A 76 -18.457 6.273 5.196 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -16.506 4.240 6.262 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -17.916 4.788 7.147 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -20.407 4.377 5.418 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -18.744 0.816 3.836 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -20.903 2.218 4.149 1.00 0.00 H new ATOM 1153 N LYS A 77 -17.672 7.549 7.264 1.00 0.00 N ATOM 1154 CA LYS A 77 -17.253 8.594 8.182 1.00 0.00 C ATOM 1155 C LYS A 77 -16.139 8.059 9.084 1.00 0.00 C ATOM 1156 O LYS A 77 -15.884 6.856 9.114 1.00 0.00 O ATOM 1157 CB LYS A 77 -18.456 9.145 8.951 1.00 0.00 C ATOM 1158 CG LYS A 77 -19.341 10.002 8.044 1.00 0.00 C ATOM 1159 CD LYS A 77 -19.432 11.438 8.566 1.00 0.00 C ATOM 1160 CE LYS A 77 -20.244 12.317 7.612 1.00 0.00 C ATOM 1161 NZ LYS A 77 -19.589 13.632 7.435 1.00 0.00 N ATOM 0 H LYS A 77 -18.625 7.214 7.405 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.840 9.440 7.633 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -19.039 8.320 9.360 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.110 9.741 9.796 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.937 10.004 7.032 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -20.339 9.568 7.988 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -19.895 11.442 9.553 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -18.430 11.851 8.683 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -20.343 11.821 6.647 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.251 12.456 8.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -20.153 14.216 6.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.516 14.110 8.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -18.637 13.495 7.040 1.00 0.00 H new ATOM 1175 N ILE A 78 -15.505 8.978 9.797 1.00 0.00 N ATOM 1176 CA ILE A 78 -14.424 8.613 10.697 1.00 0.00 C ATOM 1177 C ILE A 78 -14.423 9.563 11.897 1.00 0.00 C ATOM 1178 O ILE A 78 -15.384 10.301 12.110 1.00 0.00 O ATOM 1179 CB ILE A 78 -13.092 8.571 9.945 1.00 0.00 C ATOM 1180 CG1 ILE A 78 -12.713 9.958 9.423 1.00 0.00 C ATOM 1181 CG2 ILE A 78 -13.127 7.527 8.827 1.00 0.00 C ATOM 1182 CD1 ILE A 78 -11.556 10.551 10.230 1.00 0.00 C ATOM 0 H ILE A 78 -15.719 9.975 9.770 1.00 0.00 H new ATOM 0 HA ILE A 78 -14.576 7.606 11.086 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.314 8.267 10.645 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.431 9.890 8.372 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.577 10.620 9.479 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -12.168 7.517 8.308 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -13.318 6.543 9.254 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -13.919 7.776 8.121 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -11.307 11.537 9.838 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -11.850 10.640 11.276 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.686 9.899 10.152 1.00 0.00 H new ATOM 1194 N ASN A 79 -13.334 9.513 12.649 1.00 0.00 N ATOM 1195 CA ASN A 79 -13.195 10.360 13.822 1.00 0.00 C ATOM 1196 C ASN A 79 -11.944 11.228 13.674 1.00 0.00 C ATOM 1197 O ASN A 79 -10.873 10.869 14.161 1.00 0.00 O ATOM 1198 CB ASN A 79 -13.040 9.521 15.091 1.00 0.00 C ATOM 1199 CG ASN A 79 -13.466 10.314 16.328 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -12.734 11.137 16.852 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -14.688 10.021 16.764 1.00 0.00 N ATOM 0 H ASN A 79 -12.539 8.899 12.469 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.092 10.974 13.902 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -13.643 8.617 15.009 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -12.003 9.204 15.197 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -15.064 10.496 17.584 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -15.249 9.321 16.278 1.00 0.00 H new ATOM 1208 N THR A 80 -12.121 12.354 12.998 1.00 0.00 N ATOM 1209 CA THR A 80 -11.020 13.277 12.780 1.00 0.00 C ATOM 1210 C THR A 80 -10.282 13.548 14.093 1.00 0.00 C ATOM 1211 O THR A 80 -9.054 13.614 14.117 1.00 0.00 O ATOM 1212 CB THR A 80 -11.584 14.541 12.128 1.00 0.00 C ATOM 1213 OG1 THR A 80 -12.685 14.898 12.959 1.00 0.00 O ATOM 1214 CG2 THR A 80 -12.221 14.262 10.765 1.00 0.00 C ATOM 0 H THR A 80 -13.010 12.648 12.594 1.00 0.00 H new ATOM 0 HA THR A 80 -10.275 12.851 12.107 1.00 0.00 H new ATOM 0 HB THR A 80 -10.788 15.277 12.013 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.109 15.710 12.610 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.605 15.192 10.346 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.473 13.843 10.093 1.00 0.00 H new ATOM 0 HG23 THR A 80 -13.040 13.552 10.884 1.00 0.00 H new ATOM 1222 N GLU A 81 -11.063 13.697 15.153 1.00 0.00 N ATOM 1223 CA GLU A 81 -10.500 13.959 16.466 1.00 0.00 C ATOM 1224 C GLU A 81 -9.486 12.874 16.835 1.00 0.00 C ATOM 1225 O GLU A 81 -8.335 13.176 17.146 1.00 0.00 O ATOM 1226 CB GLU A 81 -11.600 14.063 17.524 1.00 0.00 C ATOM 1227 CG GLU A 81 -12.434 15.330 17.325 1.00 0.00 C ATOM 1228 CD GLU A 81 -13.283 15.629 18.562 1.00 0.00 C ATOM 1229 OE1 GLU A 81 -12.757 16.327 19.456 1.00 0.00 O ATOM 1230 OE2 GLU A 81 -14.438 15.152 18.587 1.00 0.00 O ATOM 0 H GLU A 81 -12.081 13.641 15.129 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.982 14.917 16.432 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -12.245 13.186 17.470 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -11.154 14.070 18.518 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.776 16.174 17.119 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.081 15.211 16.456 1.00 0.00 H new ATOM 1237 N SER A 82 -9.950 11.634 16.789 1.00 0.00 N ATOM 1238 CA SER A 82 -9.098 10.503 17.114 1.00 0.00 C ATOM 1239 C SER A 82 -8.068 10.288 16.004 1.00 0.00 C ATOM 1240 O SER A 82 -6.993 9.742 16.247 1.00 0.00 O ATOM 1241 CB SER A 82 -9.925 9.233 17.324 1.00 0.00 C ATOM 1242 OG SER A 82 -9.780 8.714 18.643 1.00 0.00 O ATOM 0 H SER A 82 -10.906 11.388 16.531 1.00 0.00 H new ATOM 0 HA SER A 82 -8.578 10.723 18.046 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.976 9.449 17.133 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.618 8.477 16.601 1.00 0.00 H new ATOM 0 HG SER A 82 -10.325 7.905 18.738 1.00 0.00 H new ATOM 1248 N SER A 83 -8.432 10.727 14.808 1.00 0.00 N ATOM 1249 CA SER A 83 -7.553 10.590 13.660 1.00 0.00 C ATOM 1250 C SER A 83 -6.447 11.646 13.718 1.00 0.00 C ATOM 1251 O SER A 83 -6.699 12.793 14.083 1.00 0.00 O ATOM 1252 CB SER A 83 -8.334 10.710 12.350 1.00 0.00 C ATOM 1253 OG SER A 83 -9.503 9.895 12.349 1.00 0.00 O ATOM 0 H SER A 83 -9.325 11.178 14.609 1.00 0.00 H new ATOM 0 HA SER A 83 -7.101 9.598 13.692 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.617 11.750 12.191 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.692 10.424 11.517 1.00 0.00 H new ATOM 0 HG SER A 83 -9.935 9.942 13.227 1.00 0.00 H new ATOM 1259 N LEU A 84 -5.247 11.220 13.353 1.00 0.00 N ATOM 1260 CA LEU A 84 -4.102 12.115 13.358 1.00 0.00 C ATOM 1261 C LEU A 84 -3.276 11.888 12.091 1.00 0.00 C ATOM 1262 O LEU A 84 -3.615 11.037 11.269 1.00 0.00 O ATOM 1263 CB LEU A 84 -3.301 11.952 14.652 1.00 0.00 C ATOM 1264 CG LEU A 84 -3.143 10.519 15.167 1.00 0.00 C ATOM 1265 CD1 LEU A 84 -2.210 9.711 14.263 1.00 0.00 C ATOM 1266 CD2 LEU A 84 -2.680 10.509 16.625 1.00 0.00 C ATOM 0 H LEU A 84 -5.042 10.267 13.052 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.431 13.154 13.342 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.308 12.373 14.497 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.781 12.546 15.430 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.119 10.035 15.136 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.115 8.697 14.651 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.621 9.676 13.254 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.228 10.183 14.238 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.576 9.479 16.967 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.719 11.017 16.705 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.415 11.024 17.244 1.00 0.00 H new ATOM 1278 N TRP A 85 -2.208 12.663 11.972 1.00 0.00 N ATOM 1279 CA TRP A 85 -1.332 12.557 10.818 1.00 0.00 C ATOM 1280 C TRP A 85 0.019 13.170 11.193 1.00 0.00 C ATOM 1281 O TRP A 85 0.085 14.073 12.025 1.00 0.00 O ATOM 1282 CB TRP A 85 -1.964 13.209 9.587 1.00 0.00 C ATOM 1283 CG TRP A 85 -1.627 14.693 9.427 1.00 0.00 C ATOM 1284 CD1 TRP A 85 -2.243 15.744 9.984 1.00 0.00 C ATOM 1285 CD2 TRP A 85 -0.560 15.251 8.631 1.00 0.00 C ATOM 1286 NE1 TRP A 85 -1.655 16.934 9.606 1.00 0.00 N ATOM 1287 CE2 TRP A 85 -0.599 16.625 8.757 1.00 0.00 C ATOM 1288 CE3 TRP A 85 0.406 14.616 7.830 1.00 0.00 C ATOM 1289 CZ2 TRP A 85 0.302 17.480 8.112 1.00 0.00 C ATOM 1290 CZ3 TRP A 85 1.299 15.485 7.191 1.00 0.00 C ATOM 1291 CH2 TRP A 85 1.273 16.870 7.308 1.00 0.00 C ATOM 0 H TRP A 85 -1.930 13.367 12.656 1.00 0.00 H new ATOM 0 HA TRP A 85 -1.177 11.513 10.546 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -1.635 12.674 8.696 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -3.047 13.097 9.645 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -3.093 15.669 10.646 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.943 17.869 9.896 1.00 0.00 H new ATOM 0 HE3 TRP A 85 0.455 13.543 7.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 0.251 18.553 8.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 2.062 15.049 6.563 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.998 17.473 6.781 1.00 0.00 H new ATOM 1302 N SER A 86 1.063 12.655 10.559 1.00 0.00 N ATOM 1303 CA SER A 86 2.408 13.142 10.815 1.00 0.00 C ATOM 1304 C SER A 86 3.200 13.203 9.508 1.00 0.00 C ATOM 1305 O SER A 86 2.854 12.533 8.536 1.00 0.00 O ATOM 1306 CB SER A 86 3.130 12.255 11.832 1.00 0.00 C ATOM 1307 OG SER A 86 2.366 12.076 13.022 1.00 0.00 O ATOM 0 H SER A 86 1.004 11.906 9.869 1.00 0.00 H new ATOM 0 HA SER A 86 2.335 14.145 11.235 1.00 0.00 H new ATOM 0 HB2 SER A 86 3.336 11.283 11.384 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.093 12.701 12.083 1.00 0.00 H new ATOM 0 HG SER A 86 2.860 11.503 13.645 1.00 0.00 H new ATOM 1313 N LEU A 87 4.249 14.013 9.526 1.00 0.00 N ATOM 1314 CA LEU A 87 5.093 14.171 8.354 1.00 0.00 C ATOM 1315 C LEU A 87 6.487 13.617 8.656 1.00 0.00 C ATOM 1316 O LEU A 87 7.004 13.797 9.758 1.00 0.00 O ATOM 1317 CB LEU A 87 5.098 15.628 7.889 1.00 0.00 C ATOM 1318 CG LEU A 87 6.165 16.000 6.857 1.00 0.00 C ATOM 1319 CD1 LEU A 87 7.519 16.235 7.530 1.00 0.00 C ATOM 1320 CD2 LEU A 87 6.249 14.945 5.752 1.00 0.00 C ATOM 0 H LEU A 87 4.533 14.567 10.334 1.00 0.00 H new ATOM 0 HA LEU A 87 4.695 13.596 7.518 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.119 15.858 7.469 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.228 16.267 8.763 1.00 0.00 H new ATOM 0 HG LEU A 87 5.873 16.938 6.385 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.260 16.498 6.775 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.431 17.048 8.251 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.832 15.327 8.045 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.015 15.233 5.031 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.507 13.980 6.189 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.286 14.869 5.247 1.00 0.00 H new ATOM 1332 N GLU A 88 7.054 12.954 7.660 1.00 0.00 N ATOM 1333 CA GLU A 88 8.378 12.373 7.805 1.00 0.00 C ATOM 1334 C GLU A 88 9.321 12.924 6.734 1.00 0.00 C ATOM 1335 O GLU A 88 8.963 12.984 5.559 1.00 0.00 O ATOM 1336 CB GLU A 88 8.316 10.845 7.747 1.00 0.00 C ATOM 1337 CG GLU A 88 7.416 10.291 8.853 1.00 0.00 C ATOM 1338 CD GLU A 88 7.969 8.974 9.402 1.00 0.00 C ATOM 1339 OE1 GLU A 88 9.213 8.852 9.437 1.00 0.00 O ATOM 1340 OE2 GLU A 88 7.136 8.119 9.773 1.00 0.00 O ATOM 0 H GLU A 88 6.621 12.806 6.748 1.00 0.00 H new ATOM 0 HA GLU A 88 8.769 12.651 8.783 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.939 10.529 6.774 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.320 10.433 7.849 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.335 11.020 9.660 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.410 10.133 8.463 1.00 0.00 H new ATOM 1347 N PRO A 89 10.538 13.324 7.190 1.00 0.00 N ATOM 1348 CA PRO A 89 11.535 13.868 6.284 1.00 0.00 C ATOM 1349 C PRO A 89 12.174 12.761 5.443 1.00 0.00 C ATOM 1350 O PRO A 89 12.793 11.845 5.982 1.00 0.00 O ATOM 1351 CB PRO A 89 12.532 14.584 7.180 1.00 0.00 C ATOM 1352 CG PRO A 89 12.315 14.024 8.576 1.00 0.00 C ATOM 1353 CD PRO A 89 10.996 13.267 8.575 1.00 0.00 C ATOM 0 HA PRO A 89 11.109 14.557 5.555 1.00 0.00 H new ATOM 0 HB2 PRO A 89 13.554 14.410 6.844 1.00 0.00 H new ATOM 0 HB3 PRO A 89 12.370 15.662 7.162 1.00 0.00 H new ATOM 0 HG2 PRO A 89 13.135 13.362 8.853 1.00 0.00 H new ATOM 0 HG3 PRO A 89 12.293 14.829 9.311 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.130 12.237 8.906 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.275 13.727 9.250 1.00 0.00 H new ATOM 1361 N GLY A 90 12.003 12.883 4.134 1.00 0.00 N ATOM 1362 CA GLY A 90 12.556 11.904 3.213 1.00 0.00 C ATOM 1363 C GLY A 90 12.042 10.499 3.534 1.00 0.00 C ATOM 1364 O GLY A 90 12.828 9.560 3.658 1.00 0.00 O ATOM 0 H GLY A 90 11.490 13.644 3.690 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.287 12.169 2.190 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.644 11.919 3.271 1.00 0.00 H new ATOM 1368 N LYS A 91 10.727 10.398 3.658 1.00 0.00 N ATOM 1369 CA LYS A 91 10.100 9.123 3.961 1.00 0.00 C ATOM 1370 C LYS A 91 8.703 9.085 3.337 1.00 0.00 C ATOM 1371 O LYS A 91 8.564 8.881 2.132 1.00 0.00 O ATOM 1372 CB LYS A 91 10.106 8.868 5.470 1.00 0.00 C ATOM 1373 CG LYS A 91 9.366 7.573 5.811 1.00 0.00 C ATOM 1374 CD LYS A 91 10.142 6.753 6.843 1.00 0.00 C ATOM 1375 CE LYS A 91 9.204 5.846 7.641 1.00 0.00 C ATOM 1376 NZ LYS A 91 8.887 4.622 6.870 1.00 0.00 N ATOM 0 H LYS A 91 10.078 11.178 3.554 1.00 0.00 H new ATOM 0 HA LYS A 91 10.669 8.305 3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.134 8.809 5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.637 9.706 5.986 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.375 7.808 6.199 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.223 6.983 4.906 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.897 6.149 6.339 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.671 7.422 7.522 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.669 5.576 8.589 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.285 6.382 7.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.249 4.017 7.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.424 4.885 5.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.765 4.103 6.665 1.00 0.00 H new ATOM 1390 N CYS A 92 7.705 9.285 4.185 1.00 0.00 N ATOM 1391 CA CYS A 92 6.325 9.277 3.732 1.00 0.00 C ATOM 1392 C CYS A 92 5.460 9.931 4.811 1.00 0.00 C ATOM 1393 O CYS A 92 5.955 10.277 5.883 1.00 0.00 O ATOM 1394 CB CYS A 92 5.848 7.862 3.398 1.00 0.00 C ATOM 1395 SG CYS A 92 6.632 6.655 4.528 1.00 0.00 S ATOM 0 H CYS A 92 7.825 9.454 5.184 1.00 0.00 H new ATOM 0 HA CYS A 92 6.241 9.847 2.807 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.763 7.804 3.487 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.096 7.620 2.365 1.00 0.00 H new ATOM 0 HG CYS A 92 6.219 5.457 4.238 1.00 0.00 H new ATOM 1401 N VAL A 93 4.184 10.082 4.491 1.00 0.00 N ATOM 1402 CA VAL A 93 3.246 10.688 5.420 1.00 0.00 C ATOM 1403 C VAL A 93 2.383 9.595 6.055 1.00 0.00 C ATOM 1404 O VAL A 93 1.943 8.672 5.371 1.00 0.00 O ATOM 1405 CB VAL A 93 2.421 11.761 4.706 1.00 0.00 C ATOM 1406 CG1 VAL A 93 1.368 12.357 5.642 1.00 0.00 C ATOM 1407 CG2 VAL A 93 3.324 12.853 4.129 1.00 0.00 C ATOM 0 H VAL A 93 3.777 9.795 3.601 1.00 0.00 H new ATOM 0 HA VAL A 93 3.780 11.190 6.227 1.00 0.00 H new ATOM 0 HB VAL A 93 1.899 11.285 3.876 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.796 13.117 5.109 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.696 11.569 5.982 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.861 12.810 6.502 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.713 13.603 3.627 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.886 13.324 4.935 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.017 12.411 3.413 1.00 0.00 H new ATOM 1417 N LEU A 94 2.167 9.736 7.354 1.00 0.00 N ATOM 1418 CA LEU A 94 1.366 8.772 8.088 1.00 0.00 C ATOM 1419 C LEU A 94 0.044 9.423 8.501 1.00 0.00 C ATOM 1420 O LEU A 94 0.030 10.553 8.987 1.00 0.00 O ATOM 1421 CB LEU A 94 2.161 8.197 9.262 1.00 0.00 C ATOM 1422 CG LEU A 94 1.428 7.171 10.130 1.00 0.00 C ATOM 1423 CD1 LEU A 94 0.223 7.804 10.828 1.00 0.00 C ATOM 1424 CD2 LEU A 94 1.035 5.940 9.310 1.00 0.00 C ATOM 0 H LEU A 94 2.533 10.504 7.917 1.00 0.00 H new ATOM 0 HA LEU A 94 1.119 7.921 7.453 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.065 7.732 8.870 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.478 9.022 9.899 1.00 0.00 H new ATOM 0 HG LEU A 94 2.111 6.834 10.910 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.280 7.054 11.438 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.560 8.623 11.464 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.471 8.188 10.080 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.516 5.227 9.950 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.378 6.241 8.494 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.931 5.474 8.900 1.00 0.00 H new ATOM 1436 N VAL A 95 -1.035 8.682 8.291 1.00 0.00 N ATOM 1437 CA VAL A 95 -2.358 9.174 8.636 1.00 0.00 C ATOM 1438 C VAL A 95 -3.151 8.056 9.315 1.00 0.00 C ATOM 1439 O VAL A 95 -3.323 6.978 8.748 1.00 0.00 O ATOM 1440 CB VAL A 95 -3.052 9.726 7.389 1.00 0.00 C ATOM 1441 CG1 VAL A 95 -4.517 10.057 7.678 1.00 0.00 C ATOM 1442 CG2 VAL A 95 -2.310 10.949 6.845 1.00 0.00 C ATOM 0 H VAL A 95 -1.020 7.746 7.887 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.286 9.999 9.345 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.029 8.952 6.622 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.987 10.447 6.775 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.038 9.154 7.997 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.572 10.806 8.468 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.824 11.322 5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.287 11.729 7.606 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.290 10.669 6.582 1.00 0.00 H new ATOM 1452 N ASN A 96 -3.614 8.351 10.521 1.00 0.00 N ATOM 1453 CA ASN A 96 -4.385 7.384 11.284 1.00 0.00 C ATOM 1454 C ASN A 96 -5.860 7.789 11.269 1.00 0.00 C ATOM 1455 O ASN A 96 -6.230 8.824 11.821 1.00 0.00 O ATOM 1456 CB ASN A 96 -3.923 7.338 12.742 1.00 0.00 C ATOM 1457 CG ASN A 96 -2.614 6.557 12.878 1.00 0.00 C ATOM 1458 OD1 ASN A 96 -1.563 7.102 13.172 1.00 0.00 O ATOM 1459 ND2 ASN A 96 -2.737 5.252 12.649 1.00 0.00 N ATOM 0 H ASN A 96 -3.470 9.246 10.989 1.00 0.00 H new ATOM 0 HA ASN A 96 -4.242 6.404 10.829 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -3.786 8.353 13.116 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -4.694 6.873 13.357 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -1.921 4.643 12.716 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -3.647 4.860 12.407 1.00 0.00 H new ATOM 1466 N LEU A 97 -6.664 6.951 10.630 1.00 0.00 N ATOM 1467 CA LEU A 97 -8.091 7.208 10.536 1.00 0.00 C ATOM 1468 C LEU A 97 -8.834 6.309 11.526 1.00 0.00 C ATOM 1469 O LEU A 97 -8.745 5.085 11.446 1.00 0.00 O ATOM 1470 CB LEU A 97 -8.568 7.056 9.090 1.00 0.00 C ATOM 1471 CG LEU A 97 -8.069 8.113 8.104 1.00 0.00 C ATOM 1472 CD1 LEU A 97 -8.885 8.086 6.810 1.00 0.00 C ATOM 1473 CD2 LEU A 97 -8.060 9.502 8.747 1.00 0.00 C ATOM 0 H LEU A 97 -6.354 6.094 10.173 1.00 0.00 H new ATOM 0 HA LEU A 97 -8.311 8.239 10.814 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.259 6.075 8.728 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.658 7.069 9.085 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.039 7.873 7.840 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.509 8.848 6.127 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.796 7.105 6.344 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.932 8.287 7.036 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.701 10.235 8.025 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.071 9.765 9.059 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.402 9.496 9.616 1.00 0.00 H new ATOM 1485 N SER A 98 -9.549 6.952 12.438 1.00 0.00 N ATOM 1486 CA SER A 98 -10.307 6.226 13.443 1.00 0.00 C ATOM 1487 C SER A 98 -11.770 6.111 13.013 1.00 0.00 C ATOM 1488 O SER A 98 -12.417 7.117 12.723 1.00 0.00 O ATOM 1489 CB SER A 98 -10.206 6.910 14.808 1.00 0.00 C ATOM 1490 OG SER A 98 -9.520 6.102 15.760 1.00 0.00 O ATOM 0 H SER A 98 -9.619 7.968 12.502 1.00 0.00 H new ATOM 0 HA SER A 98 -9.883 5.226 13.536 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.686 7.862 14.699 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.207 7.134 15.177 1.00 0.00 H new ATOM 0 HG SER A 98 -9.861 6.295 16.658 1.00 0.00 H new ATOM 1496 N LYS A 99 -12.251 4.877 12.986 1.00 0.00 N ATOM 1497 CA LYS A 99 -13.626 4.618 12.596 1.00 0.00 C ATOM 1498 C LYS A 99 -14.557 4.986 13.753 1.00 0.00 C ATOM 1499 O LYS A 99 -14.175 4.887 14.918 1.00 0.00 O ATOM 1500 CB LYS A 99 -13.784 3.174 12.115 1.00 0.00 C ATOM 1501 CG LYS A 99 -12.757 2.842 11.031 1.00 0.00 C ATOM 1502 CD LYS A 99 -12.477 1.338 10.983 1.00 0.00 C ATOM 1503 CE LYS A 99 -12.406 0.839 9.539 1.00 0.00 C ATOM 1504 NZ LYS A 99 -12.068 -0.601 9.504 1.00 0.00 N ATOM 0 H LYS A 99 -11.713 4.045 13.228 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.906 5.244 11.749 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.664 2.491 12.956 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -14.791 3.025 11.725 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.125 3.178 10.062 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.830 3.382 11.225 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.538 1.123 11.492 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.260 0.801 11.519 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.362 1.006 9.043 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.657 1.408 8.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.528 -0.810 8.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.496 -0.844 10.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.943 -1.163 9.509 1.00 0.00 H new ATOM 1518 N VAL A 100 -15.762 5.403 13.391 1.00 0.00 N ATOM 1519 CA VAL A 100 -16.751 5.786 14.385 1.00 0.00 C ATOM 1520 C VAL A 100 -17.617 4.573 14.730 1.00 0.00 C ATOM 1521 O VAL A 100 -18.835 4.691 14.856 1.00 0.00 O ATOM 1522 CB VAL A 100 -17.566 6.978 13.879 1.00 0.00 C ATOM 1523 CG1 VAL A 100 -16.706 8.242 13.812 1.00 0.00 C ATOM 1524 CG2 VAL A 100 -18.198 6.673 12.519 1.00 0.00 C ATOM 0 H VAL A 100 -16.076 5.484 12.424 1.00 0.00 H new ATOM 0 HA VAL A 100 -16.263 6.109 15.305 1.00 0.00 H new ATOM 0 HB VAL A 100 -18.372 7.158 14.590 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -17.310 9.074 13.449 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -16.325 8.476 14.806 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -15.870 8.077 13.133 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -18.772 7.537 12.182 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -17.414 6.453 11.794 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -18.859 5.811 12.610 1.00 0.00 H new ATOM 1534 N GLY A 101 -16.954 3.435 14.874 1.00 0.00 N ATOM 1535 CA GLY A 101 -17.648 2.202 15.203 1.00 0.00 C ATOM 1536 C GLY A 101 -17.006 1.006 14.497 1.00 0.00 C ATOM 1537 O GLY A 101 -15.878 1.097 14.016 1.00 0.00 O ATOM 0 H GLY A 101 -15.944 3.341 14.769 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -17.628 2.046 16.282 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -18.695 2.281 14.912 1.00 0.00 H new ATOM 1541 N GLU A 102 -17.752 -0.088 14.457 1.00 0.00 N ATOM 1542 CA GLU A 102 -17.270 -1.301 13.818 1.00 0.00 C ATOM 1543 C GLU A 102 -17.785 -1.383 12.380 1.00 0.00 C ATOM 1544 O GLU A 102 -18.893 -1.859 12.140 1.00 0.00 O ATOM 1545 CB GLU A 102 -17.675 -2.541 14.618 1.00 0.00 C ATOM 1546 CG GLU A 102 -16.705 -2.787 15.775 1.00 0.00 C ATOM 1547 CD GLU A 102 -16.985 -4.133 16.448 1.00 0.00 C ATOM 1548 OE1 GLU A 102 -17.883 -4.157 17.317 1.00 0.00 O ATOM 1549 OE2 GLU A 102 -16.295 -5.107 16.077 1.00 0.00 O ATOM 0 H GLU A 102 -18.688 -0.160 14.857 1.00 0.00 H new ATOM 0 HA GLU A 102 -16.181 -1.267 13.792 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -18.685 -2.414 15.007 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -17.693 -3.412 13.962 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -15.680 -2.767 15.405 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -16.795 -1.984 16.507 1.00 0.00 H new ATOM 1556 N TYR A 103 -16.955 -0.913 11.460 1.00 0.00 N ATOM 1557 CA TYR A 103 -17.313 -0.928 10.052 1.00 0.00 C ATOM 1558 C TYR A 103 -16.211 -1.579 9.213 1.00 0.00 C ATOM 1559 O TYR A 103 -15.048 -1.594 9.614 1.00 0.00 O ATOM 1560 CB TYR A 103 -17.454 0.538 9.637 1.00 0.00 C ATOM 1561 CG TYR A 103 -18.762 1.190 10.091 1.00 0.00 C ATOM 1562 CD1 TYR A 103 -19.012 1.373 11.435 1.00 0.00 C ATOM 1563 CD2 TYR A 103 -19.692 1.594 9.154 1.00 0.00 C ATOM 1564 CE1 TYR A 103 -20.243 1.986 11.862 1.00 0.00 C ATOM 1565 CE2 TYR A 103 -20.923 2.207 9.581 1.00 0.00 C ATOM 1566 CZ TYR A 103 -21.138 2.373 10.914 1.00 0.00 C ATOM 1567 OH TYR A 103 -22.301 2.952 11.317 1.00 0.00 O ATOM 0 H TYR A 103 -16.036 -0.520 11.662 1.00 0.00 H new ATOM 0 HA TYR A 103 -18.229 -1.497 9.895 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -16.617 1.103 10.047 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -17.384 0.606 8.551 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -18.284 1.056 12.167 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -19.496 1.450 8.102 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -20.451 2.135 12.911 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -21.659 2.528 8.859 1.00 0.00 H new ATOM 0 HH TYR A 103 -22.843 3.178 10.532 1.00 0.00 H new ATOM 1577 N TRP A 104 -16.616 -2.100 8.064 1.00 0.00 N ATOM 1578 CA TRP A 104 -15.677 -2.750 7.166 1.00 0.00 C ATOM 1579 C TRP A 104 -15.411 -1.804 5.994 1.00 0.00 C ATOM 1580 O TRP A 104 -16.300 -1.549 5.182 1.00 0.00 O ATOM 1581 CB TRP A 104 -16.201 -4.118 6.723 1.00 0.00 C ATOM 1582 CG TRP A 104 -16.539 -4.202 5.233 1.00 0.00 C ATOM 1583 CD1 TRP A 104 -17.606 -3.697 4.599 1.00 0.00 C ATOM 1584 CD2 TRP A 104 -15.757 -4.854 4.209 1.00 0.00 C ATOM 1585 NE1 TRP A 104 -17.569 -3.974 3.248 1.00 0.00 N ATOM 1586 CE2 TRP A 104 -16.410 -4.700 3.003 1.00 0.00 C ATOM 1587 CE3 TRP A 104 -14.539 -5.550 4.300 1.00 0.00 C ATOM 1588 CZ2 TRP A 104 -15.921 -5.215 1.796 1.00 0.00 C ATOM 1589 CZ3 TRP A 104 -14.064 -6.059 3.085 1.00 0.00 C ATOM 1590 CH2 TRP A 104 -14.709 -5.912 1.862 1.00 0.00 C ATOM 0 H TRP A 104 -17.581 -2.085 7.735 1.00 0.00 H new ATOM 0 HA TRP A 104 -14.733 -2.949 7.673 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -15.454 -4.876 6.959 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -17.093 -4.359 7.302 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -18.396 -3.143 5.085 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -18.265 -3.697 2.556 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -14.011 -5.682 5.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -16.451 -5.082 0.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -13.132 -6.604 3.099 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -14.277 -6.334 0.967 1.00 0.00 H new ATOM 1601 N TRP A 105 -14.184 -1.307 5.942 1.00 0.00 N ATOM 1602 CA TRP A 105 -13.790 -0.394 4.883 1.00 0.00 C ATOM 1603 C TRP A 105 -13.213 -1.224 3.734 1.00 0.00 C ATOM 1604 O TRP A 105 -12.226 -1.935 3.912 1.00 0.00 O ATOM 1605 CB TRP A 105 -12.815 0.663 5.405 1.00 0.00 C ATOM 1606 CG TRP A 105 -13.493 1.843 6.105 1.00 0.00 C ATOM 1607 CD1 TRP A 105 -14.440 1.806 7.053 1.00 0.00 C ATOM 1608 CD2 TRP A 105 -13.236 3.244 5.874 1.00 0.00 C ATOM 1609 NE1 TRP A 105 -14.810 3.075 7.447 1.00 0.00 N ATOM 1610 CE2 TRP A 105 -14.055 3.977 6.707 1.00 0.00 C ATOM 1611 CE3 TRP A 105 -12.341 3.870 4.989 1.00 0.00 C ATOM 1612 CZ2 TRP A 105 -14.061 5.377 6.739 1.00 0.00 C ATOM 1613 CZ3 TRP A 105 -12.359 5.269 5.032 1.00 0.00 C ATOM 1614 CH2 TRP A 105 -13.177 6.023 5.866 1.00 0.00 C ATOM 0 H TRP A 105 -13.449 -1.520 6.617 1.00 0.00 H new ATOM 0 HA TRP A 105 -14.651 0.162 4.513 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -12.121 0.191 6.101 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -12.223 1.040 4.571 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -14.860 0.897 7.457 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -15.509 3.308 8.152 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -11.691 3.316 4.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -14.712 5.929 7.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -11.690 5.800 4.371 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -13.131 7.102 5.841 1.00 0.00 H new ATOM 1625 N ASN A 106 -13.853 -1.104 2.580 1.00 0.00 N ATOM 1626 CA ASN A 106 -13.416 -1.834 1.402 1.00 0.00 C ATOM 1627 C ASN A 106 -12.446 -0.965 0.600 1.00 0.00 C ATOM 1628 O ASN A 106 -11.717 -1.467 -0.255 1.00 0.00 O ATOM 1629 CB ASN A 106 -14.600 -2.180 0.497 1.00 0.00 C ATOM 1630 CG ASN A 106 -15.286 -0.912 -0.016 1.00 0.00 C ATOM 1631 OD1 ASN A 106 -14.958 -0.379 -1.063 1.00 0.00 O ATOM 1632 ND2 ASN A 106 -16.254 -0.462 0.777 1.00 0.00 N ATOM 0 H ASN A 106 -14.671 -0.512 2.436 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.936 -2.754 1.735 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -14.255 -2.778 -0.347 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -15.317 -2.789 1.047 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -16.773 0.378 0.522 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -16.478 -0.957 1.640 1.00 0.00 H new ATOM 1639 N ALA A 107 -12.467 0.325 0.904 1.00 0.00 N ATOM 1640 CA ALA A 107 -11.598 1.269 0.221 1.00 0.00 C ATOM 1641 C ALA A 107 -11.568 2.584 1.002 1.00 0.00 C ATOM 1642 O ALA A 107 -12.484 2.876 1.770 1.00 0.00 O ATOM 1643 CB ALA A 107 -12.079 1.457 -1.219 1.00 0.00 C ATOM 0 H ALA A 107 -13.072 0.738 1.614 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.578 0.888 0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -11.427 2.165 -1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -12.054 0.499 -1.739 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.099 1.841 -1.215 1.00 0.00 H new ATOM 1649 N ILE A 108 -10.505 3.343 0.780 1.00 0.00 N ATOM 1650 CA ILE A 108 -10.344 4.621 1.453 1.00 0.00 C ATOM 1651 C ILE A 108 -11.255 5.659 0.794 1.00 0.00 C ATOM 1652 O ILE A 108 -12.144 6.210 1.441 1.00 0.00 O ATOM 1653 CB ILE A 108 -8.870 5.028 1.484 1.00 0.00 C ATOM 1654 CG1 ILE A 108 -8.044 4.036 2.306 1.00 0.00 C ATOM 1655 CG2 ILE A 108 -8.707 6.464 1.987 1.00 0.00 C ATOM 1656 CD1 ILE A 108 -8.079 4.394 3.793 1.00 0.00 C ATOM 0 H ILE A 108 -9.747 3.098 0.144 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.652 4.543 2.496 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.487 4.999 0.464 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.431 3.027 2.162 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.013 4.035 1.953 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.649 6.727 1.999 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.243 7.144 1.325 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.112 6.544 2.996 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.484 3.674 4.355 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.669 5.394 3.936 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.109 4.370 4.149 1.00 0.00 H new ATOM 1668 N LEU A 109 -11.002 5.893 -0.485 1.00 0.00 N ATOM 1669 CA LEU A 109 -11.788 6.855 -1.239 1.00 0.00 C ATOM 1670 C LEU A 109 -12.872 6.116 -2.027 1.00 0.00 C ATOM 1671 O LEU A 109 -12.736 4.927 -2.310 1.00 0.00 O ATOM 1672 CB LEU A 109 -10.879 7.725 -2.110 1.00 0.00 C ATOM 1673 CG LEU A 109 -9.788 8.503 -1.373 1.00 0.00 C ATOM 1674 CD1 LEU A 109 -9.159 9.560 -2.283 1.00 0.00 C ATOM 1675 CD2 LEU A 109 -10.328 9.111 -0.077 1.00 0.00 C ATOM 0 H LEU A 109 -10.264 5.433 -1.018 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.297 7.543 -0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.403 7.087 -2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.502 8.437 -2.652 1.00 0.00 H new ATOM 0 HG LEU A 109 -8.998 7.805 -1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -8.386 10.099 -1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -8.715 9.074 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.927 10.261 -2.611 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.532 9.659 0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -11.147 9.792 -0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -10.690 8.316 0.575 1.00 0.00 H new ATOM 1687 N GLU A 110 -13.922 6.852 -2.360 1.00 0.00 N ATOM 1688 CA GLU A 110 -15.028 6.281 -3.109 1.00 0.00 C ATOM 1689 C GLU A 110 -14.576 5.911 -4.523 1.00 0.00 C ATOM 1690 O GLU A 110 -15.283 5.203 -5.240 1.00 0.00 O ATOM 1691 CB GLU A 110 -16.218 7.242 -3.148 1.00 0.00 C ATOM 1692 CG GLU A 110 -16.929 7.289 -1.794 1.00 0.00 C ATOM 1693 CD GLU A 110 -18.446 7.365 -1.973 1.00 0.00 C ATOM 1694 OE1 GLU A 110 -19.062 6.281 -2.067 1.00 0.00 O ATOM 1695 OE2 GLU A 110 -18.957 8.506 -2.012 1.00 0.00 O ATOM 0 H GLU A 110 -14.030 7.839 -2.125 1.00 0.00 H new ATOM 0 HA GLU A 110 -15.353 5.372 -2.603 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -15.875 8.241 -3.417 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -16.919 6.927 -3.920 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -16.672 6.403 -1.213 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -16.582 8.153 -1.227 1.00 0.00 H new ATOM 1702 N GLY A 111 -13.401 6.407 -4.883 1.00 0.00 N ATOM 1703 CA GLY A 111 -12.847 6.137 -6.199 1.00 0.00 C ATOM 1704 C GLY A 111 -11.651 5.187 -6.106 1.00 0.00 C ATOM 1705 O GLY A 111 -10.639 5.389 -6.776 1.00 0.00 O ATOM 0 H GLY A 111 -12.818 6.994 -4.287 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -13.614 5.700 -6.838 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -12.538 7.072 -6.666 1.00 0.00 H new ATOM 1709 N GLU A 112 -11.807 4.171 -5.270 1.00 0.00 N ATOM 1710 CA GLU A 112 -10.753 3.189 -5.081 1.00 0.00 C ATOM 1711 C GLU A 112 -11.334 1.775 -5.104 1.00 0.00 C ATOM 1712 O GLU A 112 -12.228 1.454 -4.321 1.00 0.00 O ATOM 1713 CB GLU A 112 -9.990 3.448 -3.779 1.00 0.00 C ATOM 1714 CG GLU A 112 -8.849 2.444 -3.604 1.00 0.00 C ATOM 1715 CD GLU A 112 -7.515 3.048 -4.047 1.00 0.00 C ATOM 1716 OE1 GLU A 112 -7.446 3.475 -5.220 1.00 0.00 O ATOM 1717 OE2 GLU A 112 -6.593 3.069 -3.203 1.00 0.00 O ATOM 0 H GLU A 112 -12.647 4.007 -4.716 1.00 0.00 H new ATOM 0 HA GLU A 112 -10.044 3.282 -5.904 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -9.590 4.462 -3.783 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -10.673 3.379 -2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -8.785 2.139 -2.560 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -9.057 1.546 -4.186 1.00 0.00 H new ATOM 1724 N GLU A 113 -10.804 0.966 -6.009 1.00 0.00 N ATOM 1725 CA GLU A 113 -11.260 -0.407 -6.144 1.00 0.00 C ATOM 1726 C GLU A 113 -11.427 -1.049 -4.765 1.00 0.00 C ATOM 1727 O GLU A 113 -10.656 -0.769 -3.848 1.00 0.00 O ATOM 1728 CB GLU A 113 -10.299 -1.221 -7.014 1.00 0.00 C ATOM 1729 CG GLU A 113 -10.312 -0.720 -8.460 1.00 0.00 C ATOM 1730 CD GLU A 113 -8.953 -0.941 -9.129 1.00 0.00 C ATOM 1731 OE1 GLU A 113 -8.763 -2.050 -9.674 1.00 0.00 O ATOM 1732 OE2 GLU A 113 -8.136 0.003 -9.079 1.00 0.00 O ATOM 0 H GLU A 113 -10.063 1.235 -6.656 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.230 -0.400 -6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -9.289 -1.151 -6.610 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -10.581 -2.274 -6.987 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -11.087 -1.241 -9.022 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.563 0.341 -8.479 1.00 0.00 H new ATOM 1739 N PRO A 114 -12.466 -1.920 -4.659 1.00 0.00 N ATOM 1740 CA PRO A 114 -12.745 -2.604 -3.408 1.00 0.00 C ATOM 1741 C PRO A 114 -11.734 -3.725 -3.159 1.00 0.00 C ATOM 1742 O PRO A 114 -11.006 -4.122 -4.067 1.00 0.00 O ATOM 1743 CB PRO A 114 -14.172 -3.110 -3.545 1.00 0.00 C ATOM 1744 CG PRO A 114 -14.477 -3.097 -5.034 1.00 0.00 C ATOM 1745 CD PRO A 114 -13.400 -2.276 -5.724 1.00 0.00 C ATOM 0 HA PRO A 114 -12.651 -1.950 -2.541 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -14.271 -4.115 -3.135 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -14.867 -2.472 -2.998 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -14.494 -4.113 -5.429 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -15.461 -2.667 -5.218 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -12.906 -2.850 -6.508 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -13.820 -1.388 -6.195 1.00 0.00 H new ATOM 1753 N ILE A 115 -11.723 -4.205 -1.924 1.00 0.00 N ATOM 1754 CA ILE A 115 -10.814 -5.273 -1.544 1.00 0.00 C ATOM 1755 C ILE A 115 -11.598 -6.579 -1.403 1.00 0.00 C ATOM 1756 O ILE A 115 -12.809 -6.607 -1.621 1.00 0.00 O ATOM 1757 CB ILE A 115 -10.030 -4.888 -0.288 1.00 0.00 C ATOM 1758 CG1 ILE A 115 -10.973 -4.616 0.885 1.00 0.00 C ATOM 1759 CG2 ILE A 115 -9.101 -3.703 -0.563 1.00 0.00 C ATOM 1760 CD1 ILE A 115 -10.187 -4.298 2.159 1.00 0.00 C ATOM 0 H ILE A 115 -12.329 -3.874 -1.174 1.00 0.00 H new ATOM 0 HA ILE A 115 -10.067 -5.432 -2.322 1.00 0.00 H new ATOM 0 HB ILE A 115 -9.401 -5.732 -0.006 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -11.631 -3.782 0.641 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -11.609 -5.485 1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -8.556 -3.450 0.346 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -8.394 -3.970 -1.348 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -9.691 -2.844 -0.883 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -10.882 -4.109 2.977 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -9.549 -5.144 2.413 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.570 -3.414 1.995 1.00 0.00 H new ATOM 1772 N ASP A 116 -10.877 -7.629 -1.039 1.00 0.00 N ATOM 1773 CA ASP A 116 -11.491 -8.934 -0.866 1.00 0.00 C ATOM 1774 C ASP A 116 -11.148 -9.474 0.525 1.00 0.00 C ATOM 1775 O ASP A 116 -12.041 -9.800 1.305 1.00 0.00 O ATOM 1776 CB ASP A 116 -10.967 -9.931 -1.901 1.00 0.00 C ATOM 1777 CG ASP A 116 -11.913 -11.091 -2.220 1.00 0.00 C ATOM 1778 OD1 ASP A 116 -12.750 -11.397 -1.343 1.00 0.00 O ATOM 1779 OD2 ASP A 116 -11.777 -11.645 -3.332 1.00 0.00 O ATOM 0 H ASP A 116 -9.873 -7.602 -0.859 1.00 0.00 H new ATOM 0 HA ASP A 116 -12.568 -8.819 -0.989 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -10.752 -9.393 -2.824 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -10.022 -10.340 -1.543 1.00 0.00 H new ATOM 1784 N ILE A 117 -9.853 -9.551 0.792 1.00 0.00 N ATOM 1785 CA ILE A 117 -9.381 -10.046 2.074 1.00 0.00 C ATOM 1786 C ILE A 117 -10.314 -11.155 2.562 1.00 0.00 C ATOM 1787 O ILE A 117 -10.916 -11.864 1.757 1.00 0.00 O ATOM 1788 CB ILE A 117 -9.224 -8.893 3.068 1.00 0.00 C ATOM 1789 CG1 ILE A 117 -10.580 -8.471 3.637 1.00 0.00 C ATOM 1790 CG2 ILE A 117 -8.479 -7.718 2.431 1.00 0.00 C ATOM 1791 CD1 ILE A 117 -10.547 -8.439 5.166 1.00 0.00 C ATOM 0 H ILE A 117 -9.115 -9.279 0.142 1.00 0.00 H new ATOM 0 HA ILE A 117 -8.389 -10.486 1.971 1.00 0.00 H new ATOM 0 HB ILE A 117 -8.619 -9.243 3.904 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -10.848 -7.486 3.255 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -11.351 -9.164 3.301 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -8.381 -6.912 3.158 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.488 -8.044 2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -9.037 -7.360 1.566 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -11.523 -8.136 5.545 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -10.302 -9.431 5.545 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -9.792 -7.727 5.499 1.00 0.00 H new ATOM 1803 N ASP A 118 -10.406 -11.272 3.879 1.00 0.00 N ATOM 1804 CA ASP A 118 -11.255 -12.283 4.484 1.00 0.00 C ATOM 1805 C ASP A 118 -12.720 -11.860 4.349 1.00 0.00 C ATOM 1806 O ASP A 118 -13.015 -10.679 4.173 1.00 0.00 O ATOM 1807 CB ASP A 118 -10.945 -12.444 5.974 1.00 0.00 C ATOM 1808 CG ASP A 118 -9.464 -12.626 6.310 1.00 0.00 C ATOM 1809 OD1 ASP A 118 -8.984 -13.770 6.158 1.00 0.00 O ATOM 1810 OD2 ASP A 118 -8.845 -11.617 6.711 1.00 0.00 O ATOM 0 H ASP A 118 -9.906 -10.682 4.544 1.00 0.00 H new ATOM 0 HA ASP A 118 -11.070 -13.228 3.973 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -11.317 -11.567 6.504 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -11.497 -13.304 6.354 1.00 0.00 H new ATOM 1815 N SER A 119 -13.598 -12.848 4.437 1.00 0.00 N ATOM 1816 CA SER A 119 -15.024 -12.594 4.326 1.00 0.00 C ATOM 1817 C SER A 119 -15.330 -11.895 3.000 1.00 0.00 C ATOM 1818 O SER A 119 -14.417 -11.549 2.252 1.00 0.00 O ATOM 1819 CB SER A 119 -15.525 -11.749 5.499 1.00 0.00 C ATOM 1820 OG SER A 119 -16.396 -12.484 6.354 1.00 0.00 O ATOM 0 H SER A 119 -13.349 -13.826 4.584 1.00 0.00 H new ATOM 0 HA SER A 119 -15.545 -13.551 4.353 1.00 0.00 H new ATOM 0 HB2 SER A 119 -14.673 -11.387 6.074 1.00 0.00 H new ATOM 0 HB3 SER A 119 -16.048 -10.872 5.117 1.00 0.00 H new ATOM 0 HG SER A 119 -16.692 -11.910 7.091 1.00 0.00 H new ATOM 1826 N GLY A 120 -16.617 -11.709 2.749 1.00 0.00 N ATOM 1827 CA GLY A 120 -17.055 -11.058 1.526 1.00 0.00 C ATOM 1828 C GLY A 120 -17.056 -12.039 0.352 1.00 0.00 C ATOM 1829 O GLY A 120 -16.421 -13.091 0.417 1.00 0.00 O ATOM 0 H GLY A 120 -17.371 -11.998 3.372 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -18.057 -10.651 1.665 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -16.398 -10.218 1.302 1.00 0.00 H new ATOM 1833 N PRO A 121 -17.795 -11.651 -0.721 1.00 0.00 N ATOM 1834 CA PRO A 121 -17.887 -12.485 -1.908 1.00 0.00 C ATOM 1835 C PRO A 121 -16.597 -12.416 -2.728 1.00 0.00 C ATOM 1836 O PRO A 121 -16.137 -11.330 -3.078 1.00 0.00 O ATOM 1837 CB PRO A 121 -19.099 -11.963 -2.662 1.00 0.00 C ATOM 1838 CG PRO A 121 -19.363 -10.570 -2.115 1.00 0.00 C ATOM 1839 CD PRO A 121 -18.560 -10.413 -0.834 1.00 0.00 C ATOM 0 HA PRO A 121 -18.007 -13.542 -1.671 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -18.908 -11.931 -3.735 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -19.962 -12.612 -2.511 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -19.073 -9.813 -2.843 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -20.426 -10.432 -1.919 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -17.903 -9.545 -0.883 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -19.213 -10.271 0.027 1.00 0.00 H new ATOM 1847 N SER A 122 -16.050 -13.589 -3.010 1.00 0.00 N ATOM 1848 CA SER A 122 -14.822 -13.676 -3.782 1.00 0.00 C ATOM 1849 C SER A 122 -15.130 -13.524 -5.273 1.00 0.00 C ATOM 1850 O SER A 122 -15.932 -14.275 -5.825 1.00 0.00 O ATOM 1851 CB SER A 122 -14.099 -14.999 -3.522 1.00 0.00 C ATOM 1852 OG SER A 122 -12.944 -14.825 -2.705 1.00 0.00 O ATOM 0 H SER A 122 -16.435 -14.487 -2.718 1.00 0.00 H new ATOM 0 HA SER A 122 -14.163 -12.866 -3.468 1.00 0.00 H new ATOM 0 HB2 SER A 122 -14.783 -15.697 -3.039 1.00 0.00 H new ATOM 0 HB3 SER A 122 -13.807 -15.445 -4.473 1.00 0.00 H new ATOM 0 HG SER A 122 -12.512 -15.693 -2.561 1.00 0.00 H new ATOM 1858 N SER A 123 -14.475 -12.546 -5.883 1.00 0.00 N ATOM 1859 CA SER A 123 -14.669 -12.286 -7.299 1.00 0.00 C ATOM 1860 C SER A 123 -13.315 -12.103 -7.988 1.00 0.00 C ATOM 1861 O SER A 123 -12.379 -11.571 -7.393 1.00 0.00 O ATOM 1862 CB SER A 123 -15.546 -11.052 -7.518 1.00 0.00 C ATOM 1863 OG SER A 123 -16.916 -11.397 -7.703 1.00 0.00 O ATOM 0 H SER A 123 -13.810 -11.925 -5.422 1.00 0.00 H new ATOM 0 HA SER A 123 -15.180 -13.144 -7.737 1.00 0.00 H new ATOM 0 HB2 SER A 123 -15.453 -10.384 -6.662 1.00 0.00 H new ATOM 0 HB3 SER A 123 -15.189 -10.504 -8.390 1.00 0.00 H new ATOM 0 HG SER A 123 -17.443 -10.582 -7.838 1.00 0.00 H new ATOM 1869 N GLY A 124 -13.254 -12.555 -9.232 1.00 0.00 N ATOM 1870 CA GLY A 124 -12.029 -12.448 -10.008 1.00 0.00 C ATOM 1871 C GLY A 124 -12.051 -11.202 -10.896 1.00 0.00 C ATOM 1872 O GLY A 124 -11.000 -10.698 -11.289 1.00 0.00 O ATOM 0 H GLY A 124 -14.032 -12.996 -9.722 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -11.171 -12.406 -9.337 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -11.907 -13.338 -10.626 1.00 0.00 H new TER 1876 GLY A 124