USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 938 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 29 ASN :FLIP amide:sc= -0.0179 F(o=-0.29,f=0.37) USER MOD Set 1.2: A 65 ASN :FLIP amide:sc= 0.389 F(o=-0.54,f=0.37) USER MOD Single : A 1 GLY N :NH3+ 143:sc= 0.0629 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 23:sc= 0.224 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 46:sc= 0.018 USER MOD Single : A 15 TYR OH : rot -54:sc= -4.3! USER MOD Single : A 16 SER OG : rot 31:sc= 0.478 USER MOD Single : A 21 THR OG1 : rot -170:sc= -2.98! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.028) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -43:sc= -0.113 USER MOD Single : A 47 GLN : amide:sc= -5.29! C(o=-5.3!,f=-5.5!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.727 K(o=-0.73,f=-1.2!) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 61 GLN : amide:sc= -1.63 K(o=-1.6,f=-3.4!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 22:sc= 0.044 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -1.01 K(o=-1,f=-3.6!) USER MOD Single : A 87 HIS :FLIP no HD1:sc= -2.39 F(o=-3.9!,f=-2.4) USER MOD Single : A 89 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.47) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot -1:sc= 1.04 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 106 GLN : amide:sc= -0.0108 K(o=-0.011,f=-1.8) USER MOD Single : A 109 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 111 HIS : no HD1:sc= -0.0708 X(o=-0.071,f=-0.071) USER MOD Single : A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 58:sc= 0.82 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.446 -21.150 9.660 1.00 0.00 N ATOM 2 CA GLY A 1 -27.651 -20.503 10.690 1.00 0.00 C ATOM 3 C GLY A 1 -26.983 -19.235 10.152 1.00 0.00 C ATOM 4 O GLY A 1 -26.710 -19.133 8.957 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.367 -22.182 9.758 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.442 -20.867 9.761 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.099 -20.864 8.722 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.286 -20.251 11.540 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.890 -21.193 11.054 1.00 0.00 H new ATOM 8 N SER A 2 -26.740 -18.302 11.060 1.00 0.00 N ATOM 9 CA SER A 2 -26.110 -17.046 10.692 1.00 0.00 C ATOM 10 C SER A 2 -25.812 -16.223 11.947 1.00 0.00 C ATOM 11 O SER A 2 -26.653 -15.447 12.399 1.00 0.00 O ATOM 12 CB SER A 2 -26.993 -16.247 9.731 1.00 0.00 C ATOM 13 OG SER A 2 -26.336 -15.078 9.249 1.00 0.00 O ATOM 0 H SER A 2 -26.968 -18.391 12.050 1.00 0.00 H new ATOM 0 HA SER A 2 -25.174 -17.270 10.181 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.275 -16.878 8.888 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.915 -15.962 10.238 1.00 0.00 H new ATOM 0 HG SER A 2 -26.932 -14.596 8.638 1.00 0.00 H new ATOM 19 N SER A 3 -24.612 -16.420 12.474 1.00 0.00 N ATOM 20 CA SER A 3 -24.193 -15.705 13.668 1.00 0.00 C ATOM 21 C SER A 3 -22.675 -15.511 13.655 1.00 0.00 C ATOM 22 O SER A 3 -21.937 -16.389 13.210 1.00 0.00 O ATOM 23 CB SER A 3 -24.623 -16.448 14.934 1.00 0.00 C ATOM 24 OG SER A 3 -25.973 -16.163 15.288 1.00 0.00 O ATOM 0 H SER A 3 -23.917 -17.064 12.096 1.00 0.00 H new ATOM 0 HA SER A 3 -24.678 -14.729 13.671 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.507 -17.521 14.782 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.966 -16.170 15.758 1.00 0.00 H new ATOM 0 HG SER A 3 -26.460 -15.853 14.496 1.00 0.00 H new ATOM 30 N GLY A 4 -22.254 -14.356 14.149 1.00 0.00 N ATOM 31 CA GLY A 4 -20.838 -14.036 14.201 1.00 0.00 C ATOM 32 C GLY A 4 -20.558 -12.951 15.242 1.00 0.00 C ATOM 33 O GLY A 4 -21.349 -12.023 15.405 1.00 0.00 O ATOM 0 H GLY A 4 -22.869 -13.630 14.517 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.268 -14.933 14.443 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.502 -13.699 13.220 1.00 0.00 H new ATOM 37 N SER A 5 -19.430 -13.102 15.920 1.00 0.00 N ATOM 38 CA SER A 5 -19.037 -12.147 16.941 1.00 0.00 C ATOM 39 C SER A 5 -17.524 -11.920 16.891 1.00 0.00 C ATOM 40 O SER A 5 -16.749 -12.874 16.910 1.00 0.00 O ATOM 41 CB SER A 5 -19.455 -12.624 18.333 1.00 0.00 C ATOM 42 OG SER A 5 -19.977 -11.562 19.127 1.00 0.00 O ATOM 0 H SER A 5 -18.776 -13.872 15.782 1.00 0.00 H new ATOM 0 HA SER A 5 -19.547 -11.205 16.741 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.206 -13.408 18.237 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.596 -13.066 18.838 1.00 0.00 H new ATOM 0 HG SER A 5 -20.234 -11.908 20.007 1.00 0.00 H new ATOM 48 N SER A 6 -17.150 -10.650 16.827 1.00 0.00 N ATOM 49 CA SER A 6 -15.745 -10.286 16.773 1.00 0.00 C ATOM 50 C SER A 6 -15.598 -8.763 16.791 1.00 0.00 C ATOM 51 O SER A 6 -15.931 -8.092 15.816 1.00 0.00 O ATOM 52 CB SER A 6 -15.072 -10.869 15.529 1.00 0.00 C ATOM 53 OG SER A 6 -13.847 -11.526 15.843 1.00 0.00 O ATOM 0 H SER A 6 -17.796 -9.861 16.811 1.00 0.00 H new ATOM 0 HA SER A 6 -15.250 -10.703 17.650 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.749 -11.575 15.048 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.882 -10.070 14.812 1.00 0.00 H new ATOM 0 HG SER A 6 -13.449 -11.886 15.023 1.00 0.00 H new ATOM 59 N GLY A 7 -15.099 -8.262 17.912 1.00 0.00 N ATOM 60 CA GLY A 7 -14.904 -6.831 18.070 1.00 0.00 C ATOM 61 C GLY A 7 -13.476 -6.519 18.523 1.00 0.00 C ATOM 62 O GLY A 7 -13.118 -6.766 19.673 1.00 0.00 O ATOM 0 H GLY A 7 -14.824 -8.822 18.719 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.108 -6.326 17.126 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.614 -6.442 18.800 1.00 0.00 H new ATOM 66 N ALA A 8 -12.699 -5.980 17.594 1.00 0.00 N ATOM 67 CA ALA A 8 -11.318 -5.632 17.884 1.00 0.00 C ATOM 68 C ALA A 8 -10.685 -5.002 16.641 1.00 0.00 C ATOM 69 O ALA A 8 -10.878 -5.488 15.528 1.00 0.00 O ATOM 70 CB ALA A 8 -10.565 -6.878 18.355 1.00 0.00 C ATOM 0 H ALA A 8 -12.999 -5.776 16.641 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.267 -4.898 18.688 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.529 -6.617 18.572 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.037 -7.270 19.256 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.591 -7.636 17.573 1.00 0.00 H new ATOM 76 N GLY A 9 -9.941 -3.931 16.874 1.00 0.00 N ATOM 77 CA GLY A 9 -9.278 -3.230 15.788 1.00 0.00 C ATOM 78 C GLY A 9 -7.759 -3.387 15.881 1.00 0.00 C ATOM 79 O GLY A 9 -7.206 -4.390 15.431 1.00 0.00 O ATOM 0 H GLY A 9 -9.783 -3.532 17.799 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.629 -3.618 14.832 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.541 -2.173 15.819 1.00 0.00 H new ATOM 83 N SER A 10 -7.127 -2.381 16.467 1.00 0.00 N ATOM 84 CA SER A 10 -5.682 -2.395 16.624 1.00 0.00 C ATOM 85 C SER A 10 -5.006 -2.310 15.254 1.00 0.00 C ATOM 86 O SER A 10 -5.668 -2.416 14.223 1.00 0.00 O ATOM 87 CB SER A 10 -5.221 -3.650 17.366 1.00 0.00 C ATOM 88 OG SER A 10 -4.080 -3.400 18.182 1.00 0.00 O ATOM 0 H SER A 10 -7.589 -1.551 16.839 1.00 0.00 H new ATOM 0 HA SER A 10 -5.394 -1.528 17.219 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.035 -4.024 17.987 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.986 -4.432 16.644 1.00 0.00 H new ATOM 0 HG SER A 10 -3.818 -4.226 18.640 1.00 0.00 H new ATOM 94 N ALA A 11 -3.695 -2.118 15.288 1.00 0.00 N ATOM 95 CA ALA A 11 -2.922 -2.017 14.062 1.00 0.00 C ATOM 96 C ALA A 11 -3.307 -3.164 13.125 1.00 0.00 C ATOM 97 O ALA A 11 -3.316 -4.325 13.531 1.00 0.00 O ATOM 98 CB ALA A 11 -1.429 -2.016 14.398 1.00 0.00 C ATOM 0 H ALA A 11 -3.149 -2.030 16.145 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.141 -1.082 13.547 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.849 -1.940 13.478 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.201 -1.166 15.041 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.172 -2.941 14.914 1.00 0.00 H new ATOM 104 N THR A 12 -3.617 -2.798 11.890 1.00 0.00 N ATOM 105 CA THR A 12 -4.003 -3.782 10.893 1.00 0.00 C ATOM 106 C THR A 12 -2.843 -4.049 9.931 1.00 0.00 C ATOM 107 O THR A 12 -2.724 -5.145 9.386 1.00 0.00 O ATOM 108 CB THR A 12 -5.267 -3.277 10.195 1.00 0.00 C ATOM 109 OG1 THR A 12 -5.534 -4.265 9.202 1.00 0.00 O ATOM 110 CG2 THR A 12 -5.022 -1.998 9.391 1.00 0.00 C ATOM 0 H THR A 12 -3.609 -1.834 11.557 1.00 0.00 H new ATOM 0 HA THR A 12 -4.231 -4.743 11.353 1.00 0.00 H new ATOM 0 HB THR A 12 -6.043 -3.095 10.938 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.340 -4.017 8.702 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.951 -1.683 8.916 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.670 -1.211 10.058 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.270 -2.188 8.625 1.00 0.00 H new ATOM 118 N ILE A 13 -2.018 -3.028 9.752 1.00 0.00 N ATOM 119 CA ILE A 13 -0.872 -3.138 8.865 1.00 0.00 C ATOM 120 C ILE A 13 0.357 -2.538 9.551 1.00 0.00 C ATOM 121 O ILE A 13 0.233 -1.628 10.369 1.00 0.00 O ATOM 122 CB ILE A 13 -1.185 -2.512 7.505 1.00 0.00 C ATOM 123 CG1 ILE A 13 -2.590 -2.894 7.036 1.00 0.00 C ATOM 124 CG2 ILE A 13 -0.117 -2.880 6.473 1.00 0.00 C ATOM 125 CD1 ILE A 13 -2.925 -2.222 5.703 1.00 0.00 C ATOM 0 H ILE A 13 -2.120 -2.120 10.206 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.645 -4.185 8.663 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.166 -1.428 7.616 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.660 -3.977 6.929 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.321 -2.600 7.789 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.364 -2.422 5.515 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.854 -2.517 6.809 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.080 -3.963 6.358 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.929 -2.510 5.392 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.878 -1.139 5.819 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.207 -2.537 4.946 1.00 0.00 H new ATOM 137 N THR A 14 1.515 -3.071 9.190 1.00 0.00 N ATOM 138 CA THR A 14 2.766 -2.599 9.760 1.00 0.00 C ATOM 139 C THR A 14 3.824 -2.440 8.666 1.00 0.00 C ATOM 140 O THR A 14 4.201 -3.414 8.016 1.00 0.00 O ATOM 141 CB THR A 14 3.177 -3.571 10.868 1.00 0.00 C ATOM 142 OG1 THR A 14 2.824 -4.852 10.354 1.00 0.00 O ATOM 143 CG2 THR A 14 2.318 -3.423 12.125 1.00 0.00 C ATOM 0 H THR A 14 1.614 -3.825 8.510 1.00 0.00 H new ATOM 0 HA THR A 14 2.651 -1.610 10.203 1.00 0.00 H new ATOM 0 HB THR A 14 4.224 -3.409 11.124 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.123 -4.925 9.424 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.651 -4.135 12.880 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.415 -2.410 12.515 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.275 -3.618 11.878 1.00 0.00 H new ATOM 151 N TYR A 15 4.274 -1.206 8.497 1.00 0.00 N ATOM 152 CA TYR A 15 5.281 -0.907 7.494 1.00 0.00 C ATOM 153 C TYR A 15 6.674 -0.825 8.122 1.00 0.00 C ATOM 154 O TYR A 15 6.806 -0.790 9.344 1.00 0.00 O ATOM 155 CB TYR A 15 4.912 0.463 6.920 1.00 0.00 C ATOM 156 CG TYR A 15 4.003 0.398 5.691 1.00 0.00 C ATOM 157 CD1 TYR A 15 2.724 -0.108 5.804 1.00 0.00 C ATOM 158 CD2 TYR A 15 4.462 0.846 4.469 1.00 0.00 C ATOM 159 CE1 TYR A 15 1.869 -0.169 4.647 1.00 0.00 C ATOM 160 CE2 TYR A 15 3.607 0.786 3.312 1.00 0.00 C ATOM 161 CZ TYR A 15 2.353 0.281 3.458 1.00 0.00 C ATOM 162 OH TYR A 15 1.545 0.224 2.366 1.00 0.00 O ATOM 0 H TYR A 15 3.959 -0.401 9.038 1.00 0.00 H new ATOM 0 HA TYR A 15 5.306 -1.686 6.732 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.417 1.049 7.695 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.827 0.993 6.655 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.364 -0.458 6.760 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.463 1.242 4.380 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.866 -0.563 4.721 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.954 1.134 2.350 1.00 0.00 H new ATOM 0 HH TYR A 15 1.216 -0.692 2.250 1.00 0.00 H new ATOM 172 N SER A 16 7.677 -0.797 7.257 1.00 0.00 N ATOM 173 CA SER A 16 9.055 -0.720 7.712 1.00 0.00 C ATOM 174 C SER A 16 9.801 0.369 6.938 1.00 0.00 C ATOM 175 O SER A 16 9.931 0.290 5.718 1.00 0.00 O ATOM 176 CB SER A 16 9.764 -2.066 7.552 1.00 0.00 C ATOM 177 OG SER A 16 9.869 -2.455 6.186 1.00 0.00 O ATOM 0 H SER A 16 7.563 -0.826 6.244 1.00 0.00 H new ATOM 0 HA SER A 16 9.052 -0.466 8.772 1.00 0.00 H new ATOM 0 HB2 SER A 16 10.761 -2.005 7.989 1.00 0.00 H new ATOM 0 HB3 SER A 16 9.219 -2.831 8.106 1.00 0.00 H new ATOM 0 HG SER A 16 9.935 -1.656 5.623 1.00 0.00 H new ATOM 183 N VAL A 17 10.274 1.360 7.680 1.00 0.00 N ATOM 184 CA VAL A 17 11.004 2.463 7.079 1.00 0.00 C ATOM 185 C VAL A 17 12.092 2.935 8.045 1.00 0.00 C ATOM 186 O VAL A 17 11.840 3.096 9.239 1.00 0.00 O ATOM 187 CB VAL A 17 10.034 3.576 6.680 1.00 0.00 C ATOM 188 CG1 VAL A 17 9.280 4.110 7.900 1.00 0.00 C ATOM 189 CG2 VAL A 17 10.765 4.705 5.950 1.00 0.00 C ATOM 0 H VAL A 17 10.166 1.422 8.692 1.00 0.00 H new ATOM 0 HA VAL A 17 11.500 2.140 6.164 1.00 0.00 H new ATOM 0 HB VAL A 17 9.302 3.152 5.993 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.597 4.900 7.588 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.713 3.301 8.360 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.992 4.510 8.622 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.052 5.483 5.677 1.00 0.00 H new ATOM 0 HG22 VAL A 17 11.530 5.126 6.603 1.00 0.00 H new ATOM 0 HG23 VAL A 17 11.235 4.311 5.049 1.00 0.00 H new ATOM 199 N LEU A 18 13.278 3.144 7.494 1.00 0.00 N ATOM 200 CA LEU A 18 14.406 3.595 8.292 1.00 0.00 C ATOM 201 C LEU A 18 14.032 4.896 9.005 1.00 0.00 C ATOM 202 O LEU A 18 12.859 5.262 9.062 1.00 0.00 O ATOM 203 CB LEU A 18 15.663 3.707 7.428 1.00 0.00 C ATOM 204 CG LEU A 18 15.898 2.567 6.434 1.00 0.00 C ATOM 205 CD1 LEU A 18 15.973 3.097 5.000 1.00 0.00 C ATOM 206 CD2 LEU A 18 17.140 1.757 6.812 1.00 0.00 C ATOM 0 H LEU A 18 13.483 3.009 6.504 1.00 0.00 H new ATOM 0 HA LEU A 18 14.643 2.864 9.065 1.00 0.00 H new ATOM 0 HB2 LEU A 18 15.615 4.643 6.872 1.00 0.00 H new ATOM 0 HB3 LEU A 18 16.528 3.772 8.087 1.00 0.00 H new ATOM 0 HG LEU A 18 15.045 1.890 6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 18 16.140 2.267 4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 18 15.037 3.594 4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 18 16.795 3.808 4.917 1.00 0.00 H new ATOM 0 HD21 LEU A 18 17.284 0.953 6.090 1.00 0.00 H new ATOM 0 HD22 LEU A 18 18.014 2.408 6.809 1.00 0.00 H new ATOM 0 HD23 LEU A 18 17.008 1.331 7.807 1.00 0.00 H new ATOM 218 N GLU A 19 15.052 5.558 9.532 1.00 0.00 N ATOM 219 CA GLU A 19 14.845 6.811 10.239 1.00 0.00 C ATOM 220 C GLU A 19 15.376 7.982 9.411 1.00 0.00 C ATOM 221 O GLU A 19 14.970 9.125 9.614 1.00 0.00 O ATOM 222 CB GLU A 19 15.501 6.775 11.621 1.00 0.00 C ATOM 223 CG GLU A 19 16.929 6.232 11.536 1.00 0.00 C ATOM 224 CD GLU A 19 16.984 4.763 11.962 1.00 0.00 C ATOM 225 OE1 GLU A 19 17.091 4.531 13.186 1.00 0.00 O ATOM 226 OE2 GLU A 19 16.918 3.906 11.055 1.00 0.00 O ATOM 0 H GLU A 19 16.023 5.251 9.484 1.00 0.00 H new ATOM 0 HA GLU A 19 13.774 6.951 10.384 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.514 7.778 12.047 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.910 6.151 12.292 1.00 0.00 H new ATOM 0 HG2 GLU A 19 17.300 6.333 10.516 1.00 0.00 H new ATOM 0 HG3 GLU A 19 17.585 6.824 12.174 1.00 0.00 H new ATOM 233 N GLU A 20 16.276 7.657 8.494 1.00 0.00 N ATOM 234 CA GLU A 20 16.866 8.669 7.634 1.00 0.00 C ATOM 235 C GLU A 20 16.183 8.666 6.265 1.00 0.00 C ATOM 236 O GLU A 20 16.850 8.599 5.234 1.00 0.00 O ATOM 237 CB GLU A 20 18.375 8.456 7.493 1.00 0.00 C ATOM 238 CG GLU A 20 18.678 7.217 6.649 1.00 0.00 C ATOM 239 CD GLU A 20 19.886 6.458 7.202 1.00 0.00 C ATOM 240 OE1 GLU A 20 19.846 6.129 8.408 1.00 0.00 O ATOM 241 OE2 GLU A 20 20.822 6.224 6.408 1.00 0.00 O ATOM 0 H GLU A 20 16.611 6.708 8.328 1.00 0.00 H new ATOM 0 HA GLU A 20 16.710 9.645 8.094 1.00 0.00 H new ATOM 0 HB2 GLU A 20 18.828 9.334 7.032 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.824 8.347 8.480 1.00 0.00 H new ATOM 0 HG2 GLU A 20 17.808 6.561 6.634 1.00 0.00 H new ATOM 0 HG3 GLU A 20 18.871 7.513 5.618 1.00 0.00 H new ATOM 248 N THR A 21 14.860 8.741 6.299 1.00 0.00 N ATOM 249 CA THR A 21 14.079 8.749 5.074 1.00 0.00 C ATOM 250 C THR A 21 14.363 10.018 4.268 1.00 0.00 C ATOM 251 O THR A 21 14.788 11.029 4.825 1.00 0.00 O ATOM 252 CB THR A 21 12.605 8.586 5.452 1.00 0.00 C ATOM 253 OG1 THR A 21 12.511 9.178 6.745 1.00 0.00 O ATOM 254 CG2 THR A 21 12.218 7.124 5.683 1.00 0.00 C ATOM 0 H THR A 21 14.310 8.797 7.156 1.00 0.00 H new ATOM 0 HA THR A 21 14.356 7.920 4.423 1.00 0.00 H new ATOM 0 HB THR A 21 11.980 9.007 4.665 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.633 8.979 7.133 1.00 0.00 H new ATOM 0 HG21 THR A 21 11.162 7.065 5.948 1.00 0.00 H new ATOM 0 HG22 THR A 21 12.396 6.552 4.772 1.00 0.00 H new ATOM 0 HG23 THR A 21 12.820 6.712 6.493 1.00 0.00 H new ATOM 262 N ASP A 22 14.118 9.923 2.970 1.00 0.00 N ATOM 263 CA ASP A 22 14.342 11.051 2.081 1.00 0.00 C ATOM 264 C ASP A 22 13.020 11.443 1.419 1.00 0.00 C ATOM 265 O ASP A 22 11.973 10.877 1.730 1.00 0.00 O ATOM 266 CB ASP A 22 15.336 10.691 0.975 1.00 0.00 C ATOM 267 CG ASP A 22 16.626 11.514 0.973 1.00 0.00 C ATOM 268 OD1 ASP A 22 16.602 12.609 1.575 1.00 0.00 O ATOM 269 OD2 ASP A 22 17.607 11.030 0.369 1.00 0.00 O ATOM 0 H ASP A 22 13.766 9.082 2.512 1.00 0.00 H new ATOM 0 HA ASP A 22 14.743 11.873 2.673 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.595 9.637 1.069 1.00 0.00 H new ATOM 0 HB3 ASP A 22 14.843 10.813 0.010 1.00 0.00 H new ATOM 274 N ARG A 23 13.110 12.411 0.518 1.00 0.00 N ATOM 275 CA ARG A 23 11.934 12.886 -0.190 1.00 0.00 C ATOM 276 C ARG A 23 11.560 11.913 -1.310 1.00 0.00 C ATOM 277 O ARG A 23 12.003 12.069 -2.447 1.00 0.00 O ATOM 278 CB ARG A 23 12.175 14.273 -0.789 1.00 0.00 C ATOM 279 CG ARG A 23 12.954 15.162 0.183 1.00 0.00 C ATOM 280 CD ARG A 23 12.488 16.616 0.090 1.00 0.00 C ATOM 281 NE ARG A 23 13.282 17.462 1.009 1.00 0.00 N ATOM 282 CZ ARG A 23 14.574 17.764 0.825 1.00 0.00 C ATOM 283 NH1 ARG A 23 15.227 17.292 -0.246 1.00 0.00 N ATOM 284 NH2 ARG A 23 15.214 18.539 1.711 1.00 0.00 N ATOM 0 H ARG A 23 13.980 12.879 0.262 1.00 0.00 H new ATOM 0 HA ARG A 23 11.117 12.950 0.529 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.728 14.178 -1.724 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.220 14.740 -1.029 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.820 14.798 1.202 1.00 0.00 H new ATOM 0 HG3 ARG A 23 14.020 15.103 -0.039 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.595 16.976 -0.933 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.430 16.684 0.343 1.00 0.00 H new ATOM 0 HE ARG A 23 12.816 17.839 1.834 1.00 0.00 H new ATOM 0 HH11 ARG A 23 14.740 16.703 -0.921 1.00 0.00 H new ATOM 0 HH12 ARG A 23 16.211 17.522 -0.386 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.717 18.899 2.526 1.00 0.00 H new ATOM 0 HH22 ARG A 23 16.198 18.769 1.571 1.00 0.00 H new ATOM 298 N GLY A 24 10.748 10.930 -0.950 1.00 0.00 N ATOM 299 CA GLY A 24 10.310 9.931 -1.910 1.00 0.00 C ATOM 300 C GLY A 24 10.862 8.549 -1.556 1.00 0.00 C ATOM 301 O GLY A 24 11.171 7.754 -2.442 1.00 0.00 O ATOM 0 H GLY A 24 10.382 10.804 -0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.221 9.896 -1.932 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.640 10.213 -2.910 1.00 0.00 H new ATOM 305 N SER A 25 10.971 8.306 -0.258 1.00 0.00 N ATOM 306 CA SER A 25 11.481 7.034 0.225 1.00 0.00 C ATOM 307 C SER A 25 10.353 6.001 0.269 1.00 0.00 C ATOM 308 O SER A 25 9.263 6.287 0.763 1.00 0.00 O ATOM 309 CB SER A 25 12.117 7.185 1.608 1.00 0.00 C ATOM 310 OG SER A 25 13.455 6.695 1.637 1.00 0.00 O ATOM 0 H SER A 25 10.715 8.968 0.474 1.00 0.00 H new ATOM 0 HA SER A 25 12.253 6.691 -0.464 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.109 8.236 1.898 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.518 6.647 2.343 1.00 0.00 H new ATOM 0 HG SER A 25 13.826 6.811 2.536 1.00 0.00 H new ATOM 316 N LEU A 26 10.654 4.821 -0.253 1.00 0.00 N ATOM 317 CA LEU A 26 9.679 3.744 -0.280 1.00 0.00 C ATOM 318 C LEU A 26 9.430 3.253 1.148 1.00 0.00 C ATOM 319 O LEU A 26 10.310 2.657 1.766 1.00 0.00 O ATOM 320 CB LEU A 26 10.126 2.640 -1.240 1.00 0.00 C ATOM 321 CG LEU A 26 9.458 1.277 -1.053 1.00 0.00 C ATOM 322 CD1 LEU A 26 7.944 1.426 -0.892 1.00 0.00 C ATOM 323 CD2 LEU A 26 9.822 0.326 -2.196 1.00 0.00 C ATOM 0 H LEU A 26 11.559 4.587 -0.661 1.00 0.00 H new ATOM 0 HA LEU A 26 8.725 4.103 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.941 2.976 -2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.204 2.511 -1.138 1.00 0.00 H new ATOM 0 HG LEU A 26 9.838 0.834 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.494 0.442 -0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.730 2.043 -0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.528 1.900 -1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.334 -0.636 -2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.489 0.751 -3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.902 0.185 -2.222 1.00 0.00 H new ATOM 335 N VAL A 27 8.225 3.520 1.629 1.00 0.00 N ATOM 336 CA VAL A 27 7.848 3.113 2.972 1.00 0.00 C ATOM 337 C VAL A 27 7.392 1.653 2.949 1.00 0.00 C ATOM 338 O VAL A 27 7.657 0.901 3.885 1.00 0.00 O ATOM 339 CB VAL A 27 6.785 4.063 3.528 1.00 0.00 C ATOM 340 CG1 VAL A 27 6.161 3.499 4.806 1.00 0.00 C ATOM 341 CG2 VAL A 27 7.367 5.456 3.771 1.00 0.00 C ATOM 0 H VAL A 27 7.497 4.013 1.113 1.00 0.00 H new ATOM 0 HA VAL A 27 8.704 3.175 3.644 1.00 0.00 H new ATOM 0 HB VAL A 27 5.996 4.156 2.782 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.409 4.193 5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.693 2.539 4.589 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.936 3.362 5.560 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.590 6.111 4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.185 5.389 4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.742 5.863 2.832 1.00 0.00 H new ATOM 351 N GLY A 28 6.713 1.296 1.868 1.00 0.00 N ATOM 352 CA GLY A 28 6.218 -0.061 1.710 1.00 0.00 C ATOM 353 C GLY A 28 5.093 -0.117 0.674 1.00 0.00 C ATOM 354 O GLY A 28 4.778 0.889 0.040 1.00 0.00 O ATOM 0 H GLY A 28 6.494 1.923 1.094 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.033 -0.716 1.403 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.854 -0.433 2.668 1.00 0.00 H new ATOM 358 N ASN A 29 4.519 -1.303 0.535 1.00 0.00 N ATOM 359 CA ASN A 29 3.436 -1.503 -0.413 1.00 0.00 C ATOM 360 C ASN A 29 2.099 -1.448 0.328 1.00 0.00 C ATOM 361 O ASN A 29 1.985 -1.941 1.449 1.00 0.00 O ATOM 362 CB ASN A 29 3.544 -2.870 -1.092 1.00 0.00 C ATOM 363 CG ASN A 29 5.003 -3.216 -1.398 1.00 0.00 C ATOM 364 OD1 ASN A 29 5.660 -3.746 -0.370 1.00 0.00 O flip ATOM 365 ND2 ASN A 29 5.499 -3.016 -2.495 1.00 0.00 N flip ATOM 0 H ASN A 29 4.783 -2.135 1.063 1.00 0.00 H new ATOM 0 HA ASN A 29 3.499 -0.719 -1.168 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.112 -3.636 -0.447 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.965 -2.868 -2.016 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.938 -2.606 -3.241 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.475 -3.259 -2.666 1.00 0.00 H new ATOM 372 N LEU A 30 1.119 -0.844 -0.329 1.00 0.00 N ATOM 373 CA LEU A 30 -0.206 -0.718 0.253 1.00 0.00 C ATOM 374 C LEU A 30 -1.167 -1.667 -0.466 1.00 0.00 C ATOM 375 O LEU A 30 -1.801 -2.510 0.166 1.00 0.00 O ATOM 376 CB LEU A 30 -0.660 0.743 0.240 1.00 0.00 C ATOM 377 CG LEU A 30 -1.729 1.123 1.267 1.00 0.00 C ATOM 378 CD1 LEU A 30 -1.264 0.798 2.688 1.00 0.00 C ATOM 379 CD2 LEU A 30 -2.136 2.590 1.118 1.00 0.00 C ATOM 0 H LEU A 30 1.217 -0.437 -1.259 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.191 -1.014 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.213 1.375 0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.041 0.975 -0.754 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.617 0.522 1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.042 1.078 3.398 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.065 -0.270 2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.353 1.355 2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.897 2.834 1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.264 3.227 1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.537 2.756 0.118 1.00 0.00 H new ATOM 391 N ALA A 31 -1.244 -1.497 -1.778 1.00 0.00 N ATOM 392 CA ALA A 31 -2.117 -2.329 -2.589 1.00 0.00 C ATOM 393 C ALA A 31 -1.703 -3.794 -2.440 1.00 0.00 C ATOM 394 O ALA A 31 -2.545 -4.660 -2.211 1.00 0.00 O ATOM 395 CB ALA A 31 -2.067 -1.854 -4.043 1.00 0.00 C ATOM 0 H ALA A 31 -0.717 -0.796 -2.299 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.150 -2.243 -2.252 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.721 -2.477 -4.652 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.399 -0.817 -4.099 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.045 -1.929 -4.415 1.00 0.00 H new ATOM 401 N LYS A 32 -0.405 -4.025 -2.574 1.00 0.00 N ATOM 402 CA LYS A 32 0.131 -5.371 -2.457 1.00 0.00 C ATOM 403 C LYS A 32 -0.027 -5.854 -1.013 1.00 0.00 C ATOM 404 O LYS A 32 -0.271 -7.035 -0.774 1.00 0.00 O ATOM 405 CB LYS A 32 1.572 -5.420 -2.968 1.00 0.00 C ATOM 406 CG LYS A 32 1.614 -5.757 -4.460 1.00 0.00 C ATOM 407 CD LYS A 32 2.818 -6.642 -4.788 1.00 0.00 C ATOM 408 CE LYS A 32 3.495 -6.188 -6.083 1.00 0.00 C ATOM 409 NZ LYS A 32 4.254 -4.937 -5.860 1.00 0.00 N ATOM 0 H LYS A 32 0.291 -3.303 -2.762 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.430 -6.061 -3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.056 -4.459 -2.795 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.135 -6.166 -2.407 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.694 -6.267 -4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.664 -4.837 -5.043 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.534 -6.607 -3.967 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.496 -7.679 -4.886 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.166 -6.968 -6.442 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.744 -6.032 -6.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.867 -4.752 -6.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.591 -4.146 -5.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.839 -5.034 -5.006 1.00 0.00 H new ATOM 423 N ASP A 33 0.120 -4.915 -0.090 1.00 0.00 N ATOM 424 CA ASP A 33 -0.003 -5.230 1.323 1.00 0.00 C ATOM 425 C ASP A 33 -1.296 -6.014 1.556 1.00 0.00 C ATOM 426 O ASP A 33 -1.278 -7.079 2.172 1.00 0.00 O ATOM 427 CB ASP A 33 -0.064 -3.956 2.168 1.00 0.00 C ATOM 428 CG ASP A 33 1.128 -3.741 3.102 1.00 0.00 C ATOM 429 OD1 ASP A 33 2.161 -4.404 2.865 1.00 0.00 O ATOM 430 OD2 ASP A 33 0.981 -2.919 4.032 1.00 0.00 O ATOM 0 H ASP A 33 0.323 -3.936 -0.293 1.00 0.00 H new ATOM 0 HA ASP A 33 0.869 -5.815 1.615 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.142 -3.098 1.500 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.975 -3.978 2.766 1.00 0.00 H new ATOM 435 N LEU A 34 -2.387 -5.458 1.051 1.00 0.00 N ATOM 436 CA LEU A 34 -3.686 -6.092 1.197 1.00 0.00 C ATOM 437 C LEU A 34 -3.930 -7.024 0.008 1.00 0.00 C ATOM 438 O LEU A 34 -5.071 -7.378 -0.284 1.00 0.00 O ATOM 439 CB LEU A 34 -4.779 -5.038 1.385 1.00 0.00 C ATOM 440 CG LEU A 34 -4.469 -3.921 2.385 1.00 0.00 C ATOM 441 CD1 LEU A 34 -5.677 -3.002 2.573 1.00 0.00 C ATOM 442 CD2 LEU A 34 -3.975 -4.497 3.714 1.00 0.00 C ATOM 0 H LEU A 34 -2.398 -4.575 0.540 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.710 -6.707 2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.989 -4.584 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.691 -5.542 1.705 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.662 -3.312 1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.430 -2.218 3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.943 -2.551 1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.520 -3.582 2.948 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.762 -3.683 4.407 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.743 -5.143 4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.067 -5.076 3.545 1.00 0.00 H new ATOM 454 N GLY A 35 -2.838 -7.394 -0.646 1.00 0.00 N ATOM 455 CA GLY A 35 -2.919 -8.278 -1.796 1.00 0.00 C ATOM 456 C GLY A 35 -3.957 -7.776 -2.802 1.00 0.00 C ATOM 457 O GLY A 35 -4.524 -8.562 -3.559 1.00 0.00 O ATOM 0 H GLY A 35 -1.893 -7.098 -0.401 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.943 -8.344 -2.277 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.182 -9.284 -1.468 1.00 0.00 H new ATOM 461 N LEU A 36 -4.173 -6.469 -2.778 1.00 0.00 N ATOM 462 CA LEU A 36 -5.132 -5.852 -3.678 1.00 0.00 C ATOM 463 C LEU A 36 -4.446 -5.537 -5.009 1.00 0.00 C ATOM 464 O LEU A 36 -3.248 -5.769 -5.164 1.00 0.00 O ATOM 465 CB LEU A 36 -5.781 -4.635 -3.017 1.00 0.00 C ATOM 466 CG LEU A 36 -6.635 -4.919 -1.780 1.00 0.00 C ATOM 467 CD1 LEU A 36 -7.037 -3.618 -1.081 1.00 0.00 C ATOM 468 CD2 LEU A 36 -7.851 -5.776 -2.138 1.00 0.00 C ATOM 0 H LEU A 36 -3.700 -5.820 -2.149 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.949 -6.541 -3.895 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.993 -3.935 -2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.405 -4.134 -3.757 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.034 -5.492 -1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.643 -3.848 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.141 -3.080 -0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.613 -2.999 -1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.441 -5.963 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.463 -5.251 -2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.517 -6.725 -2.557 1.00 0.00 H new ATOM 480 N SER A 37 -5.235 -5.013 -5.936 1.00 0.00 N ATOM 481 CA SER A 37 -4.719 -4.664 -7.248 1.00 0.00 C ATOM 482 C SER A 37 -4.732 -3.144 -7.428 1.00 0.00 C ATOM 483 O SER A 37 -5.630 -2.465 -6.935 1.00 0.00 O ATOM 484 CB SER A 37 -5.532 -5.336 -8.356 1.00 0.00 C ATOM 485 OG SER A 37 -4.778 -5.481 -9.557 1.00 0.00 O ATOM 0 H SER A 37 -6.228 -4.822 -5.804 1.00 0.00 H new ATOM 0 HA SER A 37 -3.692 -5.023 -7.318 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.866 -6.317 -8.017 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.426 -4.747 -8.558 1.00 0.00 H new ATOM 0 HG SER A 37 -5.331 -5.915 -10.240 1.00 0.00 H new ATOM 491 N LEU A 38 -3.723 -2.656 -8.135 1.00 0.00 N ATOM 492 CA LEU A 38 -3.607 -1.229 -8.386 1.00 0.00 C ATOM 493 C LEU A 38 -4.985 -0.663 -8.735 1.00 0.00 C ATOM 494 O LEU A 38 -5.520 0.171 -8.007 1.00 0.00 O ATOM 495 CB LEU A 38 -2.543 -0.958 -9.451 1.00 0.00 C ATOM 496 CG LEU A 38 -1.182 -0.486 -8.935 1.00 0.00 C ATOM 497 CD1 LEU A 38 -1.312 0.836 -8.177 1.00 0.00 C ATOM 498 CD2 LEU A 38 -0.512 -1.569 -8.087 1.00 0.00 C ATOM 0 H LEU A 38 -2.979 -3.223 -8.542 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.267 -0.711 -7.489 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.394 -1.871 -10.028 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.929 -0.206 -10.139 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.536 -0.303 -9.793 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.331 1.149 -7.821 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.717 1.599 -8.842 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.981 0.704 -7.327 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.454 -1.208 -7.733 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.146 -1.807 -7.233 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.365 -2.465 -8.690 1.00 0.00 H new ATOM 510 N ARG A 39 -5.520 -1.140 -9.850 1.00 0.00 N ATOM 511 CA ARG A 39 -6.826 -0.692 -10.304 1.00 0.00 C ATOM 512 C ARG A 39 -7.786 -0.568 -9.120 1.00 0.00 C ATOM 513 O ARG A 39 -8.371 0.491 -8.899 1.00 0.00 O ATOM 514 CB ARG A 39 -7.415 -1.663 -11.330 1.00 0.00 C ATOM 515 CG ARG A 39 -8.346 -0.935 -12.301 1.00 0.00 C ATOM 516 CD ARG A 39 -8.289 -1.567 -13.693 1.00 0.00 C ATOM 517 NE ARG A 39 -9.201 -2.731 -13.758 1.00 0.00 N ATOM 518 CZ ARG A 39 -9.428 -3.446 -14.869 1.00 0.00 C ATOM 519 NH1 ARG A 39 -8.812 -3.121 -16.013 1.00 0.00 N ATOM 520 NH2 ARG A 39 -10.272 -4.486 -14.834 1.00 0.00 N ATOM 0 H ARG A 39 -5.073 -1.832 -10.452 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.697 0.283 -10.775 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.610 -2.145 -11.885 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.964 -2.452 -10.816 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.368 -0.968 -11.924 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.063 0.116 -12.363 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.570 -0.832 -14.447 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.269 -1.880 -13.918 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.687 -3.006 -12.904 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.170 -2.329 -16.039 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.985 -3.665 -16.858 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.741 -4.733 -13.963 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.445 -5.031 -15.679 1.00 0.00 H new ATOM 534 N GLU A 40 -7.919 -1.665 -8.389 1.00 0.00 N ATOM 535 CA GLU A 40 -8.798 -1.692 -7.232 1.00 0.00 C ATOM 536 C GLU A 40 -8.493 -0.513 -6.306 1.00 0.00 C ATOM 537 O GLU A 40 -9.406 0.172 -5.846 1.00 0.00 O ATOM 538 CB GLU A 40 -8.680 -3.022 -6.485 1.00 0.00 C ATOM 539 CG GLU A 40 -9.859 -3.941 -6.812 1.00 0.00 C ATOM 540 CD GLU A 40 -9.570 -5.379 -6.375 1.00 0.00 C ATOM 541 OE1 GLU A 40 -8.402 -5.796 -6.531 1.00 0.00 O ATOM 542 OE2 GLU A 40 -10.524 -6.028 -5.895 1.00 0.00 O ATOM 0 H GLU A 40 -7.433 -2.542 -8.576 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.827 -1.599 -7.579 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.745 -3.513 -6.755 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.644 -2.838 -5.411 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.757 -3.579 -6.312 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.058 -3.916 -7.883 1.00 0.00 H new ATOM 549 N LEU A 41 -7.207 -0.313 -6.059 1.00 0.00 N ATOM 550 CA LEU A 41 -6.770 0.771 -5.196 1.00 0.00 C ATOM 551 C LEU A 41 -7.103 2.110 -5.858 1.00 0.00 C ATOM 552 O LEU A 41 -7.216 3.131 -5.180 1.00 0.00 O ATOM 553 CB LEU A 41 -5.290 0.612 -4.842 1.00 0.00 C ATOM 554 CG LEU A 41 -4.990 -0.073 -3.507 1.00 0.00 C ATOM 555 CD1 LEU A 41 -4.626 0.955 -2.434 1.00 0.00 C ATOM 556 CD2 LEU A 41 -6.155 -0.965 -3.074 1.00 0.00 C ATOM 0 H LEU A 41 -6.453 -0.884 -6.442 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.306 0.741 -4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.806 0.044 -5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.831 1.601 -4.832 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.123 -0.719 -3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.417 0.442 -1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.743 1.511 -2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.458 1.645 -2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.916 -1.440 -2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.054 -0.360 -2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.326 -1.732 -3.829 1.00 0.00 H new ATOM 568 N ILE A 42 -7.252 2.063 -7.173 1.00 0.00 N ATOM 569 CA ILE A 42 -7.570 3.259 -7.934 1.00 0.00 C ATOM 570 C ILE A 42 -9.085 3.475 -7.928 1.00 0.00 C ATOM 571 O ILE A 42 -9.559 4.563 -7.604 1.00 0.00 O ATOM 572 CB ILE A 42 -6.966 3.178 -9.338 1.00 0.00 C ATOM 573 CG1 ILE A 42 -5.515 3.662 -9.339 1.00 0.00 C ATOM 574 CG2 ILE A 42 -7.825 3.939 -10.349 1.00 0.00 C ATOM 575 CD1 ILE A 42 -4.548 2.496 -9.552 1.00 0.00 C ATOM 0 H ILE A 42 -7.158 1.215 -7.732 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.121 4.136 -7.469 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.957 2.133 -9.646 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.376 4.403 -10.126 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.292 4.156 -8.393 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.373 3.866 -11.338 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -8.826 3.508 -10.374 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -7.889 4.987 -10.056 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.523 2.868 -9.548 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.673 1.769 -8.750 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.758 2.020 -10.510 1.00 0.00 H new ATOM 587 N THR A 43 -9.802 2.422 -8.290 1.00 0.00 N ATOM 588 CA THR A 43 -11.253 2.482 -8.330 1.00 0.00 C ATOM 589 C THR A 43 -11.800 3.038 -7.013 1.00 0.00 C ATOM 590 O THR A 43 -12.641 3.936 -7.016 1.00 0.00 O ATOM 591 CB THR A 43 -11.775 1.083 -8.662 1.00 0.00 C ATOM 592 OG1 THR A 43 -11.403 0.296 -7.534 1.00 0.00 O ATOM 593 CG2 THR A 43 -11.025 0.440 -9.830 1.00 0.00 C ATOM 0 H THR A 43 -9.405 1.522 -8.558 1.00 0.00 H new ATOM 0 HA THR A 43 -11.600 3.166 -9.105 1.00 0.00 H new ATOM 0 HB THR A 43 -12.837 1.139 -8.900 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.486 0.517 -7.269 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.435 -0.551 -10.024 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.137 1.060 -10.720 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.968 0.353 -9.580 1.00 0.00 H new ATOM 601 N ARG A 44 -11.301 2.481 -5.920 1.00 0.00 N ATOM 602 CA ARG A 44 -11.729 2.910 -4.599 1.00 0.00 C ATOM 603 C ARG A 44 -10.915 4.123 -4.145 1.00 0.00 C ATOM 604 O ARG A 44 -10.978 4.517 -2.982 1.00 0.00 O ATOM 605 CB ARG A 44 -11.568 1.784 -3.575 1.00 0.00 C ATOM 606 CG ARG A 44 -12.435 0.579 -3.944 1.00 0.00 C ATOM 607 CD ARG A 44 -12.435 -0.461 -2.822 1.00 0.00 C ATOM 608 NE ARG A 44 -11.338 -1.432 -3.031 1.00 0.00 N ATOM 609 CZ ARG A 44 -11.444 -2.532 -3.789 1.00 0.00 C ATOM 610 NH1 ARG A 44 -12.597 -2.807 -4.414 1.00 0.00 N ATOM 611 NH2 ARG A 44 -10.397 -3.357 -3.922 1.00 0.00 N ATOM 0 H ARG A 44 -10.604 1.736 -5.922 1.00 0.00 H new ATOM 0 HA ARG A 44 -12.783 3.179 -4.663 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.522 1.482 -3.523 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -11.845 2.146 -2.585 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.456 0.907 -4.140 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -12.063 0.127 -4.864 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -12.316 0.033 -1.858 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.392 -0.981 -2.797 1.00 0.00 H new ATOM 0 HE ARG A 44 -10.446 -1.253 -2.570 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -13.394 -2.179 -4.313 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.677 -3.644 -4.991 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.519 -3.148 -3.446 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.478 -4.194 -4.499 1.00 0.00 H new ATOM 625 N GLY A 45 -10.170 4.682 -5.088 1.00 0.00 N ATOM 626 CA GLY A 45 -9.345 5.843 -4.799 1.00 0.00 C ATOM 627 C GLY A 45 -8.748 5.755 -3.393 1.00 0.00 C ATOM 628 O GLY A 45 -9.281 6.339 -2.451 1.00 0.00 O ATOM 0 H GLY A 45 -10.121 4.353 -6.052 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.544 5.916 -5.534 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.943 6.750 -4.888 1.00 0.00 H new ATOM 632 N ALA A 46 -7.649 5.021 -3.297 1.00 0.00 N ATOM 633 CA ALA A 46 -6.973 4.849 -2.022 1.00 0.00 C ATOM 634 C ALA A 46 -5.886 5.916 -1.878 1.00 0.00 C ATOM 635 O ALA A 46 -5.033 6.060 -2.753 1.00 0.00 O ATOM 636 CB ALA A 46 -6.413 3.429 -1.928 1.00 0.00 C ATOM 0 H ALA A 46 -7.210 4.539 -4.081 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.673 4.978 -1.196 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.906 3.300 -0.972 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.229 2.710 -2.006 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.704 3.263 -2.739 1.00 0.00 H new ATOM 642 N GLN A 47 -5.952 6.637 -0.768 1.00 0.00 N ATOM 643 CA GLN A 47 -4.984 7.686 -0.499 1.00 0.00 C ATOM 644 C GLN A 47 -4.422 7.540 0.917 1.00 0.00 C ATOM 645 O GLN A 47 -4.975 6.806 1.735 1.00 0.00 O ATOM 646 CB GLN A 47 -5.604 9.070 -0.702 1.00 0.00 C ATOM 647 CG GLN A 47 -6.911 9.205 0.081 1.00 0.00 C ATOM 648 CD GLN A 47 -7.639 10.501 -0.285 1.00 0.00 C ATOM 649 OE1 GLN A 47 -7.483 11.531 0.349 1.00 0.00 O ATOM 650 NE2 GLN A 47 -8.440 10.391 -1.341 1.00 0.00 N ATOM 0 H GLN A 47 -6.661 6.515 -0.045 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.162 7.585 -1.208 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.901 9.838 -0.379 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.792 9.236 -1.763 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.555 8.351 -0.129 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -6.701 9.191 1.151 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.524 9.498 -1.826 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.970 11.200 -1.665 1.00 0.00 H new ATOM 659 N ILE A 48 -3.330 8.249 1.162 1.00 0.00 N ATOM 660 CA ILE A 48 -2.688 8.207 2.465 1.00 0.00 C ATOM 661 C ILE A 48 -3.132 9.418 3.287 1.00 0.00 C ATOM 662 O ILE A 48 -3.215 10.530 2.767 1.00 0.00 O ATOM 663 CB ILE A 48 -1.170 8.092 2.310 1.00 0.00 C ATOM 664 CG1 ILE A 48 -0.796 6.871 1.467 1.00 0.00 C ATOM 665 CG2 ILE A 48 -0.479 8.080 3.675 1.00 0.00 C ATOM 666 CD1 ILE A 48 -1.539 5.623 1.949 1.00 0.00 C ATOM 0 H ILE A 48 -2.874 8.856 0.481 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.998 7.318 3.014 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.813 8.973 1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.036 7.060 0.421 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.279 6.702 1.522 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.599 7.998 3.536 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.707 9.004 4.206 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.836 7.230 4.256 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.255 4.770 1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.278 5.423 2.988 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.614 5.786 1.870 1.00 0.00 H new ATOM 678 N LEU A 49 -3.406 9.162 4.558 1.00 0.00 N ATOM 679 CA LEU A 49 -3.840 10.217 5.457 1.00 0.00 C ATOM 680 C LEU A 49 -2.879 10.297 6.645 1.00 0.00 C ATOM 681 O LEU A 49 -2.881 9.421 7.509 1.00 0.00 O ATOM 682 CB LEU A 49 -5.301 10.010 5.861 1.00 0.00 C ATOM 683 CG LEU A 49 -6.344 10.309 4.782 1.00 0.00 C ATOM 684 CD1 LEU A 49 -7.748 10.396 5.386 1.00 0.00 C ATOM 685 CD2 LEU A 49 -5.977 11.571 3.999 1.00 0.00 C ATOM 0 H LEU A 49 -3.336 8.239 4.986 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.806 11.183 4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.425 8.976 6.182 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.511 10.640 6.726 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.349 9.481 4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.470 10.609 4.598 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.999 9.448 5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.776 11.193 6.129 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.735 11.761 3.239 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.926 12.420 4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.008 11.433 3.519 1.00 0.00 H new ATOM 697 N SER A 50 -2.080 11.354 6.650 1.00 0.00 N ATOM 698 CA SER A 50 -1.116 11.558 7.717 1.00 0.00 C ATOM 699 C SER A 50 -1.286 12.956 8.315 1.00 0.00 C ATOM 700 O SER A 50 -1.194 13.955 7.604 1.00 0.00 O ATOM 701 CB SER A 50 0.315 11.369 7.210 1.00 0.00 C ATOM 702 OG SER A 50 0.786 10.041 7.425 1.00 0.00 O ATOM 0 H SER A 50 -2.081 12.078 5.932 1.00 0.00 H new ATOM 0 HA SER A 50 -1.300 10.813 8.491 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.356 11.601 6.146 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.975 12.074 7.715 1.00 0.00 H new ATOM 0 HG SER A 50 1.702 9.960 7.086 1.00 0.00 H new ATOM 708 N LYS A 51 -1.532 12.982 9.617 1.00 0.00 N ATOM 709 CA LYS A 51 -1.716 14.241 10.319 1.00 0.00 C ATOM 710 C LYS A 51 -3.105 14.799 10.001 1.00 0.00 C ATOM 711 O LYS A 51 -4.015 14.715 10.824 1.00 0.00 O ATOM 712 CB LYS A 51 -0.576 15.208 9.993 1.00 0.00 C ATOM 713 CG LYS A 51 -0.111 15.950 11.248 1.00 0.00 C ATOM 714 CD LYS A 51 1.160 15.318 11.820 1.00 0.00 C ATOM 715 CE LYS A 51 2.402 16.107 11.398 1.00 0.00 C ATOM 716 NZ LYS A 51 2.720 17.148 12.400 1.00 0.00 N ATOM 0 H LYS A 51 -1.608 12.151 10.204 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.673 14.086 11.397 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.260 14.658 9.561 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.907 15.926 9.243 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.076 16.997 11.008 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.901 15.931 11.999 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.097 15.286 12.908 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.245 14.287 11.475 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.249 15.430 11.286 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.233 16.569 10.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.565 17.674 12.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.917 17.803 12.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.902 16.700 13.321 1.00 0.00 H new ATOM 730 N GLY A 52 -3.224 15.356 8.805 1.00 0.00 N ATOM 731 CA GLY A 52 -4.486 15.928 8.368 1.00 0.00 C ATOM 732 C GLY A 52 -4.326 16.651 7.029 1.00 0.00 C ATOM 733 O GLY A 52 -4.019 16.027 6.015 1.00 0.00 O ATOM 0 H GLY A 52 -2.467 15.423 8.125 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.233 15.140 8.273 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.853 16.626 9.121 1.00 0.00 H new ATOM 737 N ASN A 53 -4.543 17.958 7.069 1.00 0.00 N ATOM 738 CA ASN A 53 -4.427 18.773 5.872 1.00 0.00 C ATOM 739 C ASN A 53 -3.091 18.477 5.187 1.00 0.00 C ATOM 740 O ASN A 53 -3.053 18.193 3.990 1.00 0.00 O ATOM 741 CB ASN A 53 -4.462 20.264 6.215 1.00 0.00 C ATOM 742 CG ASN A 53 -5.665 20.948 5.563 1.00 0.00 C ATOM 743 OD1 ASN A 53 -5.777 21.043 4.352 1.00 0.00 O ATOM 744 ND2 ASN A 53 -6.556 21.418 6.431 1.00 0.00 N ATOM 0 H ASN A 53 -4.799 18.472 7.912 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.266 18.534 5.218 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.509 20.391 7.297 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.541 20.740 5.878 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.395 21.892 6.095 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.401 21.305 7.433 1.00 0.00 H new ATOM 751 N LYS A 54 -2.029 18.553 5.974 1.00 0.00 N ATOM 752 CA LYS A 54 -0.695 18.297 5.458 1.00 0.00 C ATOM 753 C LYS A 54 -0.313 16.843 5.743 1.00 0.00 C ATOM 754 O LYS A 54 -0.237 16.433 6.900 1.00 0.00 O ATOM 755 CB LYS A 54 0.301 19.316 6.017 1.00 0.00 C ATOM 756 CG LYS A 54 0.308 20.594 5.177 1.00 0.00 C ATOM 757 CD LYS A 54 1.610 21.373 5.373 1.00 0.00 C ATOM 758 CE LYS A 54 1.511 22.771 4.759 1.00 0.00 C ATOM 759 NZ LYS A 54 2.314 23.738 5.541 1.00 0.00 N ATOM 0 H LYS A 54 -2.065 18.788 6.966 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.674 18.426 4.376 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.041 19.556 7.048 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.301 18.882 6.033 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.186 20.342 4.124 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.540 21.220 5.455 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.833 21.454 6.437 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.436 20.829 4.915 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.862 22.747 3.727 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.469 23.091 4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.236 24.682 5.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.961 23.772 6.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.310 23.440 5.544 1.00 0.00 H new ATOM 773 N GLN A 55 -0.082 16.104 4.668 1.00 0.00 N ATOM 774 CA GLN A 55 0.290 14.705 4.788 1.00 0.00 C ATOM 775 C GLN A 55 1.768 14.517 4.437 1.00 0.00 C ATOM 776 O GLN A 55 2.249 15.064 3.447 1.00 0.00 O ATOM 777 CB GLN A 55 -0.598 13.824 3.907 1.00 0.00 C ATOM 778 CG GLN A 55 -0.207 13.950 2.434 1.00 0.00 C ATOM 779 CD GLN A 55 -1.266 13.315 1.529 1.00 0.00 C ATOM 780 OE1 GLN A 55 -2.437 13.234 1.863 1.00 0.00 O ATOM 781 NE2 GLN A 55 -0.791 12.872 0.369 1.00 0.00 N ATOM 0 H GLN A 55 -0.145 16.448 3.710 1.00 0.00 H new ATOM 0 HA GLN A 55 0.140 14.397 5.823 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.511 12.784 4.222 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.642 14.110 4.035 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.086 15.002 2.175 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.756 13.467 2.267 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.201 12.972 0.153 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.418 12.433 -0.305 1.00 0.00 H new ATOM 790 N LEU A 56 2.446 13.741 5.270 1.00 0.00 N ATOM 791 CA LEU A 56 3.859 13.474 5.061 1.00 0.00 C ATOM 792 C LEU A 56 4.018 12.149 4.313 1.00 0.00 C ATOM 793 O LEU A 56 5.117 11.601 4.239 1.00 0.00 O ATOM 794 CB LEU A 56 4.617 13.525 6.389 1.00 0.00 C ATOM 795 CG LEU A 56 4.457 14.810 7.204 1.00 0.00 C ATOM 796 CD1 LEU A 56 3.474 14.608 8.359 1.00 0.00 C ATOM 797 CD2 LEU A 56 5.814 15.324 7.688 1.00 0.00 C ATOM 0 H LEU A 56 2.043 13.289 6.091 1.00 0.00 H new ATOM 0 HA LEU A 56 4.304 14.249 4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.291 12.686 7.003 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.678 13.377 6.185 1.00 0.00 H new ATOM 0 HG LEU A 56 4.036 15.577 6.554 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.379 15.536 8.922 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.500 14.323 7.962 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.842 13.821 9.017 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.672 16.238 8.265 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.286 14.568 8.316 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.452 15.532 6.829 1.00 0.00 H new ATOM 809 N LEU A 57 2.904 11.671 3.776 1.00 0.00 N ATOM 810 CA LEU A 57 2.906 10.421 3.036 1.00 0.00 C ATOM 811 C LEU A 57 2.126 10.603 1.733 1.00 0.00 C ATOM 812 O LEU A 57 1.215 11.427 1.661 1.00 0.00 O ATOM 813 CB LEU A 57 2.383 9.280 3.911 1.00 0.00 C ATOM 814 CG LEU A 57 3.444 8.461 4.651 1.00 0.00 C ATOM 815 CD1 LEU A 57 2.795 7.389 5.529 1.00 0.00 C ATOM 816 CD2 LEU A 57 4.457 7.864 3.671 1.00 0.00 C ATOM 0 H LEU A 57 1.994 12.128 3.839 1.00 0.00 H new ATOM 0 HA LEU A 57 3.924 10.142 2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.697 9.699 4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.803 8.604 3.283 1.00 0.00 H new ATOM 0 HG LEU A 57 3.993 9.131 5.313 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.571 6.822 6.043 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.146 7.865 6.264 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.206 6.716 4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.200 7.287 4.222 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.941 7.212 2.966 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.953 8.667 3.126 1.00 0.00 H new ATOM 828 N GLN A 58 2.512 9.821 0.735 1.00 0.00 N ATOM 829 CA GLN A 58 1.860 9.886 -0.562 1.00 0.00 C ATOM 830 C GLN A 58 1.934 8.528 -1.261 1.00 0.00 C ATOM 831 O GLN A 58 3.020 7.985 -1.459 1.00 0.00 O ATOM 832 CB GLN A 58 2.476 10.985 -1.431 1.00 0.00 C ATOM 833 CG GLN A 58 1.393 11.887 -2.024 1.00 0.00 C ATOM 834 CD GLN A 58 1.194 11.599 -3.514 1.00 0.00 C ATOM 835 OE1 GLN A 58 1.232 10.465 -3.963 1.00 0.00 O ATOM 836 NE2 GLN A 58 0.981 12.685 -4.251 1.00 0.00 N ATOM 0 H GLN A 58 3.268 9.139 0.799 1.00 0.00 H new ATOM 0 HA GLN A 58 0.810 10.137 -0.408 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.165 11.582 -0.834 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.059 10.534 -2.234 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.454 11.732 -1.492 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.670 12.932 -1.886 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.962 13.605 -3.810 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.837 12.598 -5.257 1.00 0.00 H new ATOM 845 N LEU A 59 0.765 8.017 -1.617 1.00 0.00 N ATOM 846 CA LEU A 59 0.683 6.732 -2.291 1.00 0.00 C ATOM 847 C LEU A 59 0.897 6.934 -3.792 1.00 0.00 C ATOM 848 O LEU A 59 0.130 7.642 -4.443 1.00 0.00 O ATOM 849 CB LEU A 59 -0.632 6.029 -1.946 1.00 0.00 C ATOM 850 CG LEU A 59 -1.021 4.855 -2.847 1.00 0.00 C ATOM 851 CD1 LEU A 59 -0.182 3.617 -2.526 1.00 0.00 C ATOM 852 CD2 LEU A 59 -2.521 4.570 -2.758 1.00 0.00 C ATOM 0 H LEU A 59 -0.134 8.470 -1.451 1.00 0.00 H new ATOM 0 HA LEU A 59 1.474 6.068 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.570 5.668 -0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.434 6.766 -1.977 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.806 5.130 -3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.478 2.797 -3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.873 3.842 -2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.342 3.328 -1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.771 3.731 -3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.784 4.323 -1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.078 5.452 -3.073 1.00 0.00 H new ATOM 864 N GLU A 60 1.944 6.298 -4.298 1.00 0.00 N ATOM 865 CA GLU A 60 2.269 6.399 -5.711 1.00 0.00 C ATOM 866 C GLU A 60 0.997 6.304 -6.556 1.00 0.00 C ATOM 867 O GLU A 60 0.653 7.242 -7.274 1.00 0.00 O ATOM 868 CB GLU A 60 3.280 5.325 -6.119 1.00 0.00 C ATOM 869 CG GLU A 60 4.500 5.950 -6.797 1.00 0.00 C ATOM 870 CD GLU A 60 5.521 4.878 -7.184 1.00 0.00 C ATOM 871 OE1 GLU A 60 5.547 3.841 -6.488 1.00 0.00 O ATOM 872 OE2 GLU A 60 6.253 5.121 -8.168 1.00 0.00 O ATOM 0 H GLU A 60 2.578 5.711 -3.755 1.00 0.00 H new ATOM 0 HA GLU A 60 2.729 7.371 -5.890 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.596 4.765 -5.239 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.807 4.614 -6.797 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.186 6.496 -7.686 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.963 6.673 -6.126 1.00 0.00 H new ATOM 879 N GLN A 61 0.333 5.163 -6.444 1.00 0.00 N ATOM 880 CA GLN A 61 -0.893 4.934 -7.189 1.00 0.00 C ATOM 881 C GLN A 61 -0.574 4.372 -8.576 1.00 0.00 C ATOM 882 O GLN A 61 -1.233 3.443 -9.040 1.00 0.00 O ATOM 883 CB GLN A 61 -1.719 6.217 -7.293 1.00 0.00 C ATOM 884 CG GLN A 61 -3.214 5.902 -7.378 1.00 0.00 C ATOM 885 CD GLN A 61 -3.753 6.177 -8.783 1.00 0.00 C ATOM 886 OE1 GLN A 61 -3.123 5.888 -9.786 1.00 0.00 O ATOM 887 NE2 GLN A 61 -4.953 6.752 -8.799 1.00 0.00 N ATOM 0 H GLN A 61 0.621 4.387 -5.848 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.491 4.199 -6.650 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.526 6.849 -6.426 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.412 6.781 -8.174 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.385 4.858 -7.117 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.758 6.505 -6.651 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -5.427 6.968 -7.922 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -5.399 6.977 -9.688 1.00 0.00 H new ATOM 896 N LYS A 62 0.436 4.960 -9.199 1.00 0.00 N ATOM 897 CA LYS A 62 0.851 4.530 -10.524 1.00 0.00 C ATOM 898 C LYS A 62 1.713 3.273 -10.401 1.00 0.00 C ATOM 899 O LYS A 62 2.209 2.755 -11.401 1.00 0.00 O ATOM 900 CB LYS A 62 1.538 5.677 -11.269 1.00 0.00 C ATOM 901 CG LYS A 62 2.843 6.076 -10.577 1.00 0.00 C ATOM 902 CD LYS A 62 4.053 5.723 -11.445 1.00 0.00 C ATOM 903 CE LYS A 62 4.795 6.985 -11.889 1.00 0.00 C ATOM 904 NZ LYS A 62 5.240 6.856 -13.295 1.00 0.00 N ATOM 0 H LYS A 62 0.980 5.731 -8.811 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.017 4.264 -11.127 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.744 5.376 -12.296 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.870 6.537 -11.316 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.838 7.147 -10.372 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.920 5.568 -9.616 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.730 5.076 -10.886 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.726 5.162 -12.320 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.143 7.853 -11.786 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.656 7.154 -11.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.742 7.721 -13.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.878 6.040 -13.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.413 6.717 -13.910 1.00 0.00 H new ATOM 918 N SER A 63 1.866 2.817 -9.166 1.00 0.00 N ATOM 919 CA SER A 63 2.660 1.630 -8.900 1.00 0.00 C ATOM 920 C SER A 63 2.055 0.847 -7.733 1.00 0.00 C ATOM 921 O SER A 63 1.911 -0.372 -7.807 1.00 0.00 O ATOM 922 CB SER A 63 4.114 1.996 -8.596 1.00 0.00 C ATOM 923 OG SER A 63 4.883 2.158 -9.784 1.00 0.00 O ATOM 0 H SER A 63 1.453 3.248 -8.339 1.00 0.00 H new ATOM 0 HA SER A 63 2.650 1.005 -9.793 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.142 2.919 -8.017 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.562 1.218 -7.977 1.00 0.00 H new ATOM 0 HG SER A 63 4.286 2.352 -10.536 1.00 0.00 H new ATOM 929 N GLY A 64 1.716 1.580 -6.682 1.00 0.00 N ATOM 930 CA GLY A 64 1.130 0.970 -5.501 1.00 0.00 C ATOM 931 C GLY A 64 2.156 0.867 -4.370 1.00 0.00 C ATOM 932 O GLY A 64 2.380 -0.213 -3.827 1.00 0.00 O ATOM 0 H GLY A 64 1.836 2.591 -6.624 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.275 1.560 -5.169 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.755 -0.023 -5.748 1.00 0.00 H new ATOM 936 N ASN A 65 2.752 2.006 -4.050 1.00 0.00 N ATOM 937 CA ASN A 65 3.748 2.059 -2.994 1.00 0.00 C ATOM 938 C ASN A 65 3.512 3.304 -2.136 1.00 0.00 C ATOM 939 O ASN A 65 2.986 4.305 -2.621 1.00 0.00 O ATOM 940 CB ASN A 65 5.161 2.145 -3.574 1.00 0.00 C ATOM 941 CG ASN A 65 5.496 0.896 -4.390 1.00 0.00 C ATOM 942 OD1 ASN A 65 5.451 -0.235 -3.692 1.00 0.00 O flip ATOM 943 ND2 ASN A 65 5.777 0.954 -5.576 1.00 0.00 N flip ATOM 0 H ASN A 65 2.564 2.900 -4.504 1.00 0.00 H new ATOM 0 HA ASN A 65 3.657 1.150 -2.399 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.245 3.030 -4.205 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.883 2.260 -2.766 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.794 1.856 -6.053 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.995 0.101 -6.091 1.00 0.00 H new ATOM 950 N LEU A 66 3.912 3.201 -0.878 1.00 0.00 N ATOM 951 CA LEU A 66 3.750 4.306 0.052 1.00 0.00 C ATOM 952 C LEU A 66 5.023 5.156 0.053 1.00 0.00 C ATOM 953 O LEU A 66 6.026 4.777 0.654 1.00 0.00 O ATOM 954 CB LEU A 66 3.355 3.789 1.436 1.00 0.00 C ATOM 955 CG LEU A 66 2.056 4.351 2.017 1.00 0.00 C ATOM 956 CD1 LEU A 66 1.212 3.241 2.646 1.00 0.00 C ATOM 957 CD2 LEU A 66 2.342 5.484 3.004 1.00 0.00 C ATOM 0 H LEU A 66 4.348 2.369 -0.480 1.00 0.00 H new ATOM 0 HA LEU A 66 2.933 4.954 -0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.267 2.704 1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.166 4.011 2.130 1.00 0.00 H new ATOM 0 HG LEU A 66 1.472 4.776 1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.294 3.667 3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.963 2.499 1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.776 2.765 3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.402 5.866 3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.956 5.108 3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.872 6.287 2.492 1.00 0.00 H new ATOM 969 N LEU A 67 4.939 6.290 -0.628 1.00 0.00 N ATOM 970 CA LEU A 67 6.071 7.197 -0.713 1.00 0.00 C ATOM 971 C LEU A 67 5.878 8.342 0.282 1.00 0.00 C ATOM 972 O LEU A 67 4.750 8.754 0.548 1.00 0.00 O ATOM 973 CB LEU A 67 6.276 7.664 -2.156 1.00 0.00 C ATOM 974 CG LEU A 67 6.482 6.560 -3.196 1.00 0.00 C ATOM 975 CD1 LEU A 67 7.644 5.647 -2.803 1.00 0.00 C ATOM 976 CD2 LEU A 67 5.188 5.776 -3.425 1.00 0.00 C ATOM 0 H LEU A 67 4.105 6.601 -1.126 1.00 0.00 H new ATOM 0 HA LEU A 67 6.992 6.684 -0.434 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.410 8.257 -2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.141 8.327 -2.183 1.00 0.00 H new ATOM 0 HG LEU A 67 6.747 7.028 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.769 4.871 -3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.560 6.234 -2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.433 5.184 -1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.361 4.998 -4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.869 5.319 -2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.411 6.452 -3.782 1.00 0.00 H new ATOM 988 N LEU A 68 6.996 8.823 0.806 1.00 0.00 N ATOM 989 CA LEU A 68 6.963 9.913 1.767 1.00 0.00 C ATOM 990 C LEU A 68 6.780 11.238 1.023 1.00 0.00 C ATOM 991 O LEU A 68 7.419 11.471 -0.002 1.00 0.00 O ATOM 992 CB LEU A 68 8.204 9.876 2.661 1.00 0.00 C ATOM 993 CG LEU A 68 8.345 8.648 3.563 1.00 0.00 C ATOM 994 CD1 LEU A 68 9.815 8.363 3.875 1.00 0.00 C ATOM 995 CD2 LEU A 68 7.509 8.803 4.835 1.00 0.00 C ATOM 0 H LEU A 68 7.930 8.478 0.584 1.00 0.00 H new ATOM 0 HA LEU A 68 6.111 9.804 2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.087 9.938 2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.201 10.766 3.290 1.00 0.00 H new ATOM 0 HG LEU A 68 7.956 7.783 3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.887 7.485 4.518 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.355 8.178 2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.252 9.222 4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.627 7.917 5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.845 9.682 5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.459 8.921 4.568 1.00 0.00 H new ATOM 1007 N LYS A 69 5.905 12.070 1.569 1.00 0.00 N ATOM 1008 CA LYS A 69 5.630 13.365 0.970 1.00 0.00 C ATOM 1009 C LYS A 69 6.950 14.101 0.729 1.00 0.00 C ATOM 1010 O LYS A 69 7.152 14.689 -0.333 1.00 0.00 O ATOM 1011 CB LYS A 69 4.636 14.151 1.826 1.00 0.00 C ATOM 1012 CG LYS A 69 3.945 15.240 1.003 1.00 0.00 C ATOM 1013 CD LYS A 69 4.624 16.596 1.208 1.00 0.00 C ATOM 1014 CE LYS A 69 3.679 17.743 0.844 1.00 0.00 C ATOM 1015 NZ LYS A 69 4.086 18.361 -0.438 1.00 0.00 N ATOM 0 H LYS A 69 5.377 11.873 2.419 1.00 0.00 H new ATOM 0 HA LYS A 69 5.151 13.241 -0.001 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.889 13.472 2.238 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.156 14.603 2.671 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.969 14.973 -0.054 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.896 15.307 1.290 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.939 16.696 2.247 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.524 16.653 0.595 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.658 17.370 0.767 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.686 18.493 1.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.435 19.138 -0.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.053 18.734 -0.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.056 17.646 -1.193 1.00 0.00 H new ATOM 1029 N GLU A 70 7.814 14.044 1.731 1.00 0.00 N ATOM 1030 CA GLU A 70 9.108 14.698 1.641 1.00 0.00 C ATOM 1031 C GLU A 70 9.944 14.395 2.887 1.00 0.00 C ATOM 1032 O GLU A 70 9.534 13.606 3.737 1.00 0.00 O ATOM 1033 CB GLU A 70 8.948 16.207 1.443 1.00 0.00 C ATOM 1034 CG GLU A 70 7.789 16.750 2.281 1.00 0.00 C ATOM 1035 CD GLU A 70 7.593 18.248 2.040 1.00 0.00 C ATOM 1036 OE1 GLU A 70 7.218 18.595 0.899 1.00 0.00 O ATOM 1037 OE2 GLU A 70 7.823 19.013 3.002 1.00 0.00 O ATOM 0 H GLU A 70 7.643 13.555 2.610 1.00 0.00 H new ATOM 0 HA GLU A 70 9.632 14.304 0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.872 16.714 1.722 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.772 16.422 0.389 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.873 16.215 2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.985 16.571 3.338 1.00 0.00 H new ATOM 1044 N LYS A 71 11.101 15.038 2.955 1.00 0.00 N ATOM 1045 CA LYS A 71 11.997 14.846 4.082 1.00 0.00 C ATOM 1046 C LYS A 71 11.212 15.003 5.386 1.00 0.00 C ATOM 1047 O LYS A 71 10.521 16.002 5.583 1.00 0.00 O ATOM 1048 CB LYS A 71 13.202 15.784 3.974 1.00 0.00 C ATOM 1049 CG LYS A 71 14.039 15.751 5.254 1.00 0.00 C ATOM 1050 CD LYS A 71 15.040 16.908 5.285 1.00 0.00 C ATOM 1051 CE LYS A 71 14.700 17.897 6.401 1.00 0.00 C ATOM 1052 NZ LYS A 71 15.625 19.052 6.369 1.00 0.00 N ATOM 0 H LYS A 71 11.438 15.692 2.248 1.00 0.00 H new ATOM 0 HA LYS A 71 12.406 13.836 4.075 1.00 0.00 H new ATOM 0 HB2 LYS A 71 13.819 15.493 3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.860 16.801 3.785 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.383 15.809 6.123 1.00 0.00 H new ATOM 0 HG3 LYS A 71 14.572 14.802 5.320 1.00 0.00 H new ATOM 0 HD2 LYS A 71 16.047 16.518 5.434 1.00 0.00 H new ATOM 0 HD3 LYS A 71 15.036 17.423 4.324 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.673 18.243 6.288 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.764 17.399 7.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.380 19.714 7.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 16.601 18.718 6.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.544 19.536 5.452 1.00 0.00 H new ATOM 1066 N LEU A 72 11.343 14.001 6.243 1.00 0.00 N ATOM 1067 CA LEU A 72 10.654 14.015 7.522 1.00 0.00 C ATOM 1068 C LEU A 72 11.495 14.785 8.541 1.00 0.00 C ATOM 1069 O LEU A 72 12.715 14.634 8.585 1.00 0.00 O ATOM 1070 CB LEU A 72 10.309 12.590 7.960 1.00 0.00 C ATOM 1071 CG LEU A 72 9.618 11.714 6.913 1.00 0.00 C ATOM 1072 CD1 LEU A 72 8.403 12.429 6.317 1.00 0.00 C ATOM 1073 CD2 LEU A 72 10.605 11.266 5.834 1.00 0.00 C ATOM 0 H LEU A 72 11.916 13.174 6.077 1.00 0.00 H new ATOM 0 HA LEU A 72 9.701 14.537 7.436 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.229 12.094 8.270 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.666 12.647 8.838 1.00 0.00 H new ATOM 0 HG LEU A 72 9.253 10.814 7.408 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.930 11.785 5.576 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.690 12.656 7.109 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.723 13.356 5.841 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.088 10.645 5.103 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.022 12.141 5.336 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.410 10.692 6.293 1.00 0.00 H new ATOM 1085 N ASP A 73 10.810 15.594 9.336 1.00 0.00 N ATOM 1086 CA ASP A 73 11.479 16.389 10.352 1.00 0.00 C ATOM 1087 C ASP A 73 11.746 15.517 11.580 1.00 0.00 C ATOM 1088 O ASP A 73 10.971 15.529 12.535 1.00 0.00 O ATOM 1089 CB ASP A 73 10.609 17.568 10.790 1.00 0.00 C ATOM 1090 CG ASP A 73 10.578 18.746 9.814 1.00 0.00 C ATOM 1091 OD1 ASP A 73 11.453 19.627 9.959 1.00 0.00 O ATOM 1092 OD2 ASP A 73 9.679 18.740 8.945 1.00 0.00 O ATOM 0 H ASP A 73 9.798 15.716 9.297 1.00 0.00 H new ATOM 0 HA ASP A 73 12.409 16.766 9.927 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.590 17.212 10.939 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.967 17.925 11.756 1.00 0.00 H new ATOM 1097 N ARG A 74 12.846 14.781 11.516 1.00 0.00 N ATOM 1098 CA ARG A 74 13.226 13.905 12.611 1.00 0.00 C ATOM 1099 C ARG A 74 12.937 14.579 13.954 1.00 0.00 C ATOM 1100 O ARG A 74 12.253 14.009 14.804 1.00 0.00 O ATOM 1101 CB ARG A 74 14.711 13.545 12.539 1.00 0.00 C ATOM 1102 CG ARG A 74 14.948 12.387 11.567 1.00 0.00 C ATOM 1103 CD ARG A 74 16.442 12.185 11.307 1.00 0.00 C ATOM 1104 NE ARG A 74 16.831 12.850 10.044 1.00 0.00 N ATOM 1105 CZ ARG A 74 18.098 13.051 9.659 1.00 0.00 C ATOM 1106 NH1 ARG A 74 19.108 12.639 10.438 1.00 0.00 N ATOM 1107 NH2 ARG A 74 18.357 13.663 8.496 1.00 0.00 N ATOM 0 H ARG A 74 13.487 14.773 10.722 1.00 0.00 H new ATOM 0 HA ARG A 74 12.638 12.991 12.524 1.00 0.00 H new ATOM 0 HB2 ARG A 74 15.285 14.415 12.220 1.00 0.00 H new ATOM 0 HB3 ARG A 74 15.071 13.272 13.531 1.00 0.00 H new ATOM 0 HG2 ARG A 74 14.519 11.472 11.975 1.00 0.00 H new ATOM 0 HG3 ARG A 74 14.435 12.587 10.626 1.00 0.00 H new ATOM 0 HD2 ARG A 74 17.022 12.592 12.135 1.00 0.00 H new ATOM 0 HD3 ARG A 74 16.669 11.120 11.252 1.00 0.00 H new ATOM 0 HE ARG A 74 16.087 13.176 9.427 1.00 0.00 H new ATOM 0 HH11 ARG A 74 18.912 12.173 11.324 1.00 0.00 H new ATOM 0 HH12 ARG A 74 20.073 12.792 10.145 1.00 0.00 H new ATOM 0 HH21 ARG A 74 17.589 13.977 7.903 1.00 0.00 H new ATOM 0 HH22 ARG A 74 19.322 13.816 8.204 1.00 0.00 H new ATOM 1121 N GLU A 75 13.471 15.782 14.104 1.00 0.00 N ATOM 1122 CA GLU A 75 13.279 16.539 15.329 1.00 0.00 C ATOM 1123 C GLU A 75 11.786 16.717 15.615 1.00 0.00 C ATOM 1124 O GLU A 75 11.281 16.227 16.624 1.00 0.00 O ATOM 1125 CB GLU A 75 13.988 17.892 15.255 1.00 0.00 C ATOM 1126 CG GLU A 75 15.484 17.714 14.986 1.00 0.00 C ATOM 1127 CD GLU A 75 16.251 17.479 16.289 1.00 0.00 C ATOM 1128 OE1 GLU A 75 16.487 18.482 16.997 1.00 0.00 O ATOM 1129 OE2 GLU A 75 16.584 16.303 16.548 1.00 0.00 O ATOM 0 H GLU A 75 14.037 16.251 13.397 1.00 0.00 H new ATOM 0 HA GLU A 75 13.722 15.979 16.152 1.00 0.00 H new ATOM 0 HB2 GLU A 75 13.543 18.497 14.465 1.00 0.00 H new ATOM 0 HB3 GLU A 75 13.845 18.433 16.190 1.00 0.00 H new ATOM 0 HG2 GLU A 75 15.638 16.871 14.312 1.00 0.00 H new ATOM 0 HG3 GLU A 75 15.875 18.599 14.484 1.00 0.00 H new ATOM 1136 N GLU A 76 11.123 17.419 14.708 1.00 0.00 N ATOM 1137 CA GLU A 76 9.698 17.668 14.849 1.00 0.00 C ATOM 1138 C GLU A 76 8.980 16.396 15.307 1.00 0.00 C ATOM 1139 O GLU A 76 8.372 16.373 16.376 1.00 0.00 O ATOM 1140 CB GLU A 76 9.101 18.194 13.543 1.00 0.00 C ATOM 1141 CG GLU A 76 7.767 18.899 13.794 1.00 0.00 C ATOM 1142 CD GLU A 76 7.614 20.123 12.890 1.00 0.00 C ATOM 1143 OE1 GLU A 76 8.062 21.207 13.321 1.00 0.00 O ATOM 1144 OE2 GLU A 76 7.052 19.947 11.787 1.00 0.00 O ATOM 0 H GLU A 76 11.546 17.823 13.873 1.00 0.00 H new ATOM 0 HA GLU A 76 9.557 18.436 15.609 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.799 18.886 13.073 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.954 17.368 12.847 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.946 18.205 13.614 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.704 19.204 14.839 1.00 0.00 H new ATOM 1151 N LEU A 77 9.075 15.370 14.475 1.00 0.00 N ATOM 1152 CA LEU A 77 8.442 14.098 14.781 1.00 0.00 C ATOM 1153 C LEU A 77 9.055 13.523 16.059 1.00 0.00 C ATOM 1154 O LEU A 77 8.452 13.597 17.129 1.00 0.00 O ATOM 1155 CB LEU A 77 8.527 13.154 13.580 1.00 0.00 C ATOM 1156 CG LEU A 77 8.047 13.725 12.243 1.00 0.00 C ATOM 1157 CD1 LEU A 77 8.766 13.055 11.071 1.00 0.00 C ATOM 1158 CD2 LEU A 77 6.525 13.621 12.118 1.00 0.00 C ATOM 0 H LEU A 77 9.580 15.393 13.589 1.00 0.00 H new ATOM 0 HA LEU A 77 7.378 14.238 14.972 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.563 12.836 13.466 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.942 12.261 13.802 1.00 0.00 H new ATOM 0 HG LEU A 77 8.301 14.785 12.212 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.407 13.479 10.133 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.839 13.224 11.158 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.565 11.984 11.085 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.210 14.033 11.160 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.226 12.575 12.179 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.054 14.181 12.926 1.00 0.00 H new ATOM 1170 N CYS A 78 10.245 12.962 15.906 1.00 0.00 N ATOM 1171 CA CYS A 78 10.946 12.374 17.035 1.00 0.00 C ATOM 1172 C CYS A 78 12.358 11.996 16.580 1.00 0.00 C ATOM 1173 O CYS A 78 12.551 10.967 15.935 1.00 0.00 O ATOM 1174 CB CYS A 78 10.191 11.173 17.607 1.00 0.00 C ATOM 1175 SG CYS A 78 9.598 9.973 16.359 1.00 0.00 S ATOM 0 H CYS A 78 10.742 12.902 15.017 1.00 0.00 H new ATOM 0 HA CYS A 78 11.008 13.100 17.845 1.00 0.00 H new ATOM 0 HB2 CYS A 78 10.843 10.653 18.309 1.00 0.00 H new ATOM 0 HB3 CYS A 78 9.335 11.537 18.176 1.00 0.00 H new ATOM 1180 N GLY A 79 13.307 12.849 16.934 1.00 0.00 N ATOM 1181 CA GLY A 79 14.695 12.618 16.570 1.00 0.00 C ATOM 1182 C GLY A 79 15.184 11.270 17.104 1.00 0.00 C ATOM 1183 O GLY A 79 15.424 11.122 18.301 1.00 0.00 O ATOM 0 H GLY A 79 13.143 13.702 17.469 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.799 12.643 15.485 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.318 13.419 16.969 1.00 0.00 H new ATOM 1187 N SER A 80 15.318 10.320 16.189 1.00 0.00 N ATOM 1188 CA SER A 80 15.774 8.990 16.553 1.00 0.00 C ATOM 1189 C SER A 80 15.122 8.553 17.866 1.00 0.00 C ATOM 1190 O SER A 80 15.688 8.751 18.940 1.00 0.00 O ATOM 1191 CB SER A 80 17.298 8.945 16.676 1.00 0.00 C ATOM 1192 OG SER A 80 17.771 7.634 16.973 1.00 0.00 O ATOM 0 H SER A 80 15.119 10.446 15.197 1.00 0.00 H new ATOM 0 HA SER A 80 15.480 8.300 15.762 1.00 0.00 H new ATOM 0 HB2 SER A 80 17.747 9.290 15.745 1.00 0.00 H new ATOM 0 HB3 SER A 80 17.619 9.632 17.459 1.00 0.00 H new ATOM 0 HG SER A 80 18.748 7.647 17.042 1.00 0.00 H new ATOM 1198 N THR A 81 13.940 7.968 17.737 1.00 0.00 N ATOM 1199 CA THR A 81 13.205 7.502 18.901 1.00 0.00 C ATOM 1200 C THR A 81 12.679 6.085 18.667 1.00 0.00 C ATOM 1201 O THR A 81 12.746 5.570 17.552 1.00 0.00 O ATOM 1202 CB THR A 81 12.101 8.518 19.200 1.00 0.00 C ATOM 1203 OG1 THR A 81 12.786 9.605 19.815 1.00 0.00 O ATOM 1204 CG2 THR A 81 11.132 8.030 20.280 1.00 0.00 C ATOM 0 H THR A 81 13.473 7.806 16.845 1.00 0.00 H new ATOM 0 HA THR A 81 13.851 7.435 19.776 1.00 0.00 H new ATOM 0 HB THR A 81 11.548 8.731 18.285 1.00 0.00 H new ATOM 0 HG1 THR A 81 12.144 10.311 20.040 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.369 8.788 20.454 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.657 7.106 19.952 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.680 7.848 21.205 1.00 0.00 H new ATOM 1212 N ASN A 82 12.167 5.494 19.737 1.00 0.00 N ATOM 1213 CA ASN A 82 11.630 4.146 19.662 1.00 0.00 C ATOM 1214 C ASN A 82 10.374 4.053 20.531 1.00 0.00 C ATOM 1215 O ASN A 82 10.301 4.675 21.590 1.00 0.00 O ATOM 1216 CB ASN A 82 12.641 3.121 20.180 1.00 0.00 C ATOM 1217 CG ASN A 82 13.147 2.228 19.045 1.00 0.00 C ATOM 1218 OD1 ASN A 82 12.952 2.501 17.872 1.00 0.00 O ATOM 1219 ND2 ASN A 82 13.805 1.149 19.458 1.00 0.00 N ATOM 0 H ASN A 82 12.113 5.924 20.660 1.00 0.00 H new ATOM 0 HA ASN A 82 11.402 3.931 18.618 1.00 0.00 H new ATOM 0 HB2 ASN A 82 13.482 3.637 20.644 1.00 0.00 H new ATOM 0 HB3 ASN A 82 12.178 2.507 20.952 1.00 0.00 H new ATOM 0 HD21 ASN A 82 14.182 0.490 18.777 1.00 0.00 H new ATOM 0 HD22 ASN A 82 13.933 0.980 20.456 1.00 0.00 H new ATOM 1226 N PRO A 83 9.393 3.250 20.040 1.00 0.00 N ATOM 1227 CA PRO A 83 9.561 2.550 18.778 1.00 0.00 C ATOM 1228 C PRO A 83 9.417 3.509 17.595 1.00 0.00 C ATOM 1229 O PRO A 83 9.834 3.193 16.481 1.00 0.00 O ATOM 1230 CB PRO A 83 8.503 1.458 18.790 1.00 0.00 C ATOM 1231 CG PRO A 83 7.484 1.877 19.838 1.00 0.00 C ATOM 1232 CD PRO A 83 8.102 2.990 20.669 1.00 0.00 C ATOM 0 HA PRO A 83 10.556 2.121 18.665 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.036 1.356 17.810 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.942 0.491 19.037 1.00 0.00 H new ATOM 0 HG2 PRO A 83 6.566 2.221 19.362 1.00 0.00 H new ATOM 0 HG3 PRO A 83 7.217 1.031 20.471 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.474 3.881 20.667 1.00 0.00 H new ATOM 0 HD3 PRO A 83 8.222 2.687 21.709 1.00 0.00 H new ATOM 1240 N CYS A 84 8.827 4.661 17.876 1.00 0.00 N ATOM 1241 CA CYS A 84 8.623 5.668 16.849 1.00 0.00 C ATOM 1242 C CYS A 84 7.833 5.033 15.703 1.00 0.00 C ATOM 1243 O CYS A 84 8.416 4.451 14.790 1.00 0.00 O ATOM 1244 CB CYS A 84 9.949 6.262 16.368 1.00 0.00 C ATOM 1245 SG CYS A 84 9.840 7.980 15.749 1.00 0.00 S ATOM 0 H CYS A 84 8.483 4.920 18.801 1.00 0.00 H new ATOM 0 HA CYS A 84 8.055 6.502 17.262 1.00 0.00 H new ATOM 0 HB2 CYS A 84 10.664 6.232 17.190 1.00 0.00 H new ATOM 0 HB3 CYS A 84 10.348 5.630 15.575 1.00 0.00 H new ATOM 1250 N ILE A 85 6.518 5.166 15.789 1.00 0.00 N ATOM 1251 CA ILE A 85 5.642 4.612 14.770 1.00 0.00 C ATOM 1252 C ILE A 85 4.794 5.734 14.167 1.00 0.00 C ATOM 1253 O ILE A 85 4.180 6.512 14.895 1.00 0.00 O ATOM 1254 CB ILE A 85 4.816 3.458 15.343 1.00 0.00 C ATOM 1255 CG1 ILE A 85 5.720 2.313 15.803 1.00 0.00 C ATOM 1256 CG2 ILE A 85 3.760 2.988 14.340 1.00 0.00 C ATOM 1257 CD1 ILE A 85 4.897 1.175 16.410 1.00 0.00 C ATOM 0 H ILE A 85 6.038 5.649 16.548 1.00 0.00 H new ATOM 0 HA ILE A 85 6.228 4.182 13.957 1.00 0.00 H new ATOM 0 HB ILE A 85 4.285 3.822 16.222 1.00 0.00 H new ATOM 0 HG12 ILE A 85 6.297 1.938 14.958 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.435 2.682 16.538 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.187 2.168 14.772 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.089 3.814 14.104 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.250 2.647 13.428 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.564 0.374 16.729 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.340 1.547 17.270 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.200 0.792 15.664 1.00 0.00 H new ATOM 1269 N LEU A 86 4.789 5.782 12.843 1.00 0.00 N ATOM 1270 CA LEU A 86 4.028 6.796 12.134 1.00 0.00 C ATOM 1271 C LEU A 86 2.535 6.477 12.244 1.00 0.00 C ATOM 1272 O LEU A 86 2.154 5.317 12.390 1.00 0.00 O ATOM 1273 CB LEU A 86 4.523 6.928 10.692 1.00 0.00 C ATOM 1274 CG LEU A 86 4.829 8.350 10.216 1.00 0.00 C ATOM 1275 CD1 LEU A 86 6.337 8.572 10.086 1.00 0.00 C ATOM 1276 CD2 LEU A 86 4.089 8.663 8.914 1.00 0.00 C ATOM 0 H LEU A 86 5.300 5.135 12.243 1.00 0.00 H new ATOM 0 HA LEU A 86 4.181 7.774 12.590 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.426 6.327 10.582 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.771 6.498 10.030 1.00 0.00 H new ATOM 0 HG LEU A 86 4.465 9.048 10.969 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.527 9.590 9.746 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.812 8.418 11.055 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.748 7.866 9.364 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.324 9.679 8.597 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.401 7.961 8.141 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.015 8.572 9.075 1.00 0.00 H new ATOM 1288 N HIS A 87 1.731 7.527 12.169 1.00 0.00 N ATOM 1289 CA HIS A 87 0.289 7.373 12.259 1.00 0.00 C ATOM 1290 C HIS A 87 -0.354 7.781 10.932 1.00 0.00 C ATOM 1291 O HIS A 87 -0.272 8.940 10.528 1.00 0.00 O ATOM 1292 CB HIS A 87 -0.268 8.153 13.451 1.00 0.00 C ATOM 1293 CG HIS A 87 0.693 8.270 14.611 1.00 0.00 C ATOM 1294 ND1 HIS A 87 1.650 7.412 15.065 1.00 0.00 N flip ATOM 1295 CD2 HIS A 87 0.728 9.373 15.446 1.00 0.00 C flip ATOM 1296 CE1 HIS A 87 2.240 7.961 16.120 1.00 0.00 C flip ATOM 1297 NE2 HIS A 87 1.669 9.177 16.358 1.00 0.00 N flip ATOM 0 H HIS A 87 2.051 8.488 12.047 1.00 0.00 H new ATOM 0 HA HIS A 87 0.042 6.326 12.437 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.545 9.154 13.120 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.181 7.667 13.796 1.00 0.00 H new ATOM 0 HD2 HIS A 87 0.096 10.245 15.368 1.00 0.00 H new ATOM 0 HE1 HIS A 87 3.040 7.518 16.695 1.00 0.00 H new ATOM 0 HE2 HIS A 87 1.922 9.822 17.107 1.00 0.00 H new ATOM 1305 N PHE A 88 -0.979 6.805 10.289 1.00 0.00 N ATOM 1306 CA PHE A 88 -1.636 7.048 9.016 1.00 0.00 C ATOM 1307 C PHE A 88 -2.871 6.158 8.858 1.00 0.00 C ATOM 1308 O PHE A 88 -3.026 5.171 9.576 1.00 0.00 O ATOM 1309 CB PHE A 88 -0.627 6.700 7.919 1.00 0.00 C ATOM 1310 CG PHE A 88 -0.532 5.204 7.613 1.00 0.00 C ATOM 1311 CD1 PHE A 88 0.329 4.419 8.314 1.00 0.00 C ATOM 1312 CD2 PHE A 88 -1.310 4.659 6.639 1.00 0.00 C ATOM 1313 CE1 PHE A 88 0.417 3.031 8.030 1.00 0.00 C ATOM 1314 CE2 PHE A 88 -1.222 3.270 6.355 1.00 0.00 C ATOM 1315 CZ PHE A 88 -0.360 2.486 7.056 1.00 0.00 C ATOM 0 H PHE A 88 -1.044 5.845 10.626 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.960 8.087 8.956 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -0.900 7.230 7.007 1.00 0.00 H new ATOM 0 HB3 PHE A 88 0.357 7.063 8.216 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.946 4.852 9.087 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.994 5.282 6.082 1.00 0.00 H new ATOM 0 HE1 PHE A 88 1.101 2.408 8.587 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -1.840 2.837 5.582 1.00 0.00 H new ATOM 0 HZ PHE A 88 -0.292 1.430 6.839 1.00 0.00 H new ATOM 1325 N GLN A 89 -3.718 6.539 7.913 1.00 0.00 N ATOM 1326 CA GLN A 89 -4.934 5.789 7.651 1.00 0.00 C ATOM 1327 C GLN A 89 -5.218 5.746 6.149 1.00 0.00 C ATOM 1328 O GLN A 89 -5.070 6.752 5.456 1.00 0.00 O ATOM 1329 CB GLN A 89 -6.119 6.381 8.417 1.00 0.00 C ATOM 1330 CG GLN A 89 -6.047 6.022 9.903 1.00 0.00 C ATOM 1331 CD GLN A 89 -6.488 7.201 10.773 1.00 0.00 C ATOM 1332 OE1 GLN A 89 -6.119 8.342 10.552 1.00 0.00 O ATOM 1333 NE2 GLN A 89 -7.297 6.861 11.773 1.00 0.00 N ATOM 0 H GLN A 89 -3.586 7.358 7.319 1.00 0.00 H new ATOM 0 HA GLN A 89 -4.790 4.767 8.003 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -6.126 7.465 8.301 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.052 6.009 7.994 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.682 5.159 10.104 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -5.028 5.735 10.163 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.567 5.886 11.901 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.647 7.576 12.411 1.00 0.00 H new ATOM 1342 N VAL A 90 -5.622 4.571 5.688 1.00 0.00 N ATOM 1343 CA VAL A 90 -5.928 4.384 4.280 1.00 0.00 C ATOM 1344 C VAL A 90 -7.382 4.784 4.022 1.00 0.00 C ATOM 1345 O VAL A 90 -8.305 4.132 4.509 1.00 0.00 O ATOM 1346 CB VAL A 90 -5.621 2.943 3.865 1.00 0.00 C ATOM 1347 CG1 VAL A 90 -6.350 2.579 2.570 1.00 0.00 C ATOM 1348 CG2 VAL A 90 -4.114 2.722 3.728 1.00 0.00 C ATOM 0 H VAL A 90 -5.744 3.739 6.265 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.300 5.026 3.663 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.986 2.282 4.651 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.115 1.550 2.297 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.425 2.679 2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.030 3.248 1.772 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.923 1.690 3.432 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.715 3.396 2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.629 2.921 4.683 1.00 0.00 H new ATOM 1358 N LEU A 91 -7.541 5.853 3.255 1.00 0.00 N ATOM 1359 CA LEU A 91 -8.867 6.347 2.926 1.00 0.00 C ATOM 1360 C LEU A 91 -9.368 5.648 1.661 1.00 0.00 C ATOM 1361 O LEU A 91 -8.628 5.513 0.687 1.00 0.00 O ATOM 1362 CB LEU A 91 -8.859 7.873 2.823 1.00 0.00 C ATOM 1363 CG LEU A 91 -9.996 8.496 2.009 1.00 0.00 C ATOM 1364 CD1 LEU A 91 -11.355 8.185 2.638 1.00 0.00 C ATOM 1365 CD2 LEU A 91 -9.779 10.000 1.827 1.00 0.00 C ATOM 0 H LEU A 91 -6.773 6.390 2.852 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.571 6.108 3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.892 8.286 3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.911 8.183 2.383 1.00 0.00 H new ATOM 0 HG LEU A 91 -9.991 8.047 1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -12.145 8.639 2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -11.501 7.105 2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -11.388 8.588 3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.600 10.418 1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.743 10.483 2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.839 10.171 1.302 1.00 0.00 H new ATOM 1377 N LEU A 92 -10.621 5.220 1.716 1.00 0.00 N ATOM 1378 CA LEU A 92 -11.229 4.538 0.586 1.00 0.00 C ATOM 1379 C LEU A 92 -12.529 5.250 0.205 1.00 0.00 C ATOM 1380 O LEU A 92 -13.225 5.782 1.068 1.00 0.00 O ATOM 1381 CB LEU A 92 -11.410 3.050 0.893 1.00 0.00 C ATOM 1382 CG LEU A 92 -10.132 2.210 0.920 1.00 0.00 C ATOM 1383 CD1 LEU A 92 -10.457 0.720 1.033 1.00 0.00 C ATOM 1384 CD2 LEU A 92 -9.250 2.514 -0.293 1.00 0.00 C ATOM 0 H LEU A 92 -11.232 5.332 2.525 1.00 0.00 H new ATOM 0 HA LEU A 92 -10.574 4.583 -0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -11.903 2.956 1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -12.084 2.625 0.149 1.00 0.00 H new ATOM 0 HG LEU A 92 -9.563 2.483 1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.531 0.146 1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.014 0.538 1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.058 0.413 0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -8.348 1.903 -0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.798 2.287 -1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.975 3.569 -0.288 1.00 0.00 H new ATOM 1396 N LYS A 93 -12.816 5.238 -1.088 1.00 0.00 N ATOM 1397 CA LYS A 93 -14.019 5.876 -1.594 1.00 0.00 C ATOM 1398 C LYS A 93 -15.113 4.821 -1.773 1.00 0.00 C ATOM 1399 O LYS A 93 -14.870 3.631 -1.582 1.00 0.00 O ATOM 1400 CB LYS A 93 -13.712 6.666 -2.867 1.00 0.00 C ATOM 1401 CG LYS A 93 -12.738 7.811 -2.580 1.00 0.00 C ATOM 1402 CD LYS A 93 -13.008 9.004 -3.500 1.00 0.00 C ATOM 1403 CE LYS A 93 -12.494 10.303 -2.877 1.00 0.00 C ATOM 1404 NZ LYS A 93 -13.590 11.291 -2.760 1.00 0.00 N ATOM 0 H LYS A 93 -12.236 4.796 -1.801 1.00 0.00 H new ATOM 0 HA LYS A 93 -14.394 6.606 -0.877 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -13.286 6.001 -3.618 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.637 7.066 -3.283 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -12.832 8.121 -1.539 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -11.714 7.465 -2.718 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -12.524 8.842 -4.463 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -14.078 9.086 -3.691 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -12.073 10.099 -1.892 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -11.690 10.713 -3.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -13.224 12.167 -2.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -13.973 11.498 -3.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -14.344 10.903 -2.158 1.00 0.00 H new ATOM 1418 N SER A 94 -16.295 5.297 -2.139 1.00 0.00 N ATOM 1419 CA SER A 94 -17.427 4.410 -2.347 1.00 0.00 C ATOM 1420 C SER A 94 -16.949 3.081 -2.936 1.00 0.00 C ATOM 1421 O SER A 94 -16.498 3.031 -4.080 1.00 0.00 O ATOM 1422 CB SER A 94 -18.469 5.053 -3.264 1.00 0.00 C ATOM 1423 OG SER A 94 -18.096 4.972 -4.636 1.00 0.00 O ATOM 0 H SER A 94 -16.493 6.285 -2.297 1.00 0.00 H new ATOM 0 HA SER A 94 -17.898 4.224 -1.382 1.00 0.00 H new ATOM 0 HB2 SER A 94 -19.431 4.561 -3.120 1.00 0.00 H new ATOM 0 HB3 SER A 94 -18.601 6.099 -2.985 1.00 0.00 H new ATOM 0 HG SER A 94 -17.222 4.536 -4.712 1.00 0.00 H new ATOM 1429 N PRO A 95 -17.068 2.009 -2.108 1.00 0.00 N ATOM 1430 CA PRO A 95 -17.613 2.155 -0.769 1.00 0.00 C ATOM 1431 C PRO A 95 -16.596 2.810 0.168 1.00 0.00 C ATOM 1432 O PRO A 95 -15.488 2.305 0.339 1.00 0.00 O ATOM 1433 CB PRO A 95 -17.991 0.746 -0.343 1.00 0.00 C ATOM 1434 CG PRO A 95 -17.222 -0.189 -1.262 1.00 0.00 C ATOM 1435 CD PRO A 95 -16.688 0.635 -2.423 1.00 0.00 C ATOM 0 HA PRO A 95 -18.481 2.813 -0.737 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -17.729 0.570 0.700 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -19.065 0.586 -0.433 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -16.403 -0.666 -0.723 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -17.871 -0.986 -1.626 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -15.607 0.535 -2.516 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -17.120 0.312 -3.370 1.00 0.00 H new ATOM 1443 N VAL A 96 -17.011 3.926 0.751 1.00 0.00 N ATOM 1444 CA VAL A 96 -16.150 4.655 1.667 1.00 0.00 C ATOM 1445 C VAL A 96 -15.734 3.733 2.814 1.00 0.00 C ATOM 1446 O VAL A 96 -16.576 3.075 3.423 1.00 0.00 O ATOM 1447 CB VAL A 96 -16.855 5.926 2.147 1.00 0.00 C ATOM 1448 CG1 VAL A 96 -16.172 6.494 3.393 1.00 0.00 C ATOM 1449 CG2 VAL A 96 -16.919 6.972 1.032 1.00 0.00 C ATOM 0 H VAL A 96 -17.931 4.342 0.607 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.239 4.975 1.162 1.00 0.00 H new ATOM 0 HB VAL A 96 -17.877 5.661 2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -16.692 7.397 3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -16.202 5.754 4.193 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -15.135 6.736 3.161 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -17.425 7.865 1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -15.908 7.231 0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -17.470 6.566 0.184 1.00 0.00 H new ATOM 1459 N GLN A 97 -14.435 3.714 3.075 1.00 0.00 N ATOM 1460 CA GLN A 97 -13.897 2.882 4.138 1.00 0.00 C ATOM 1461 C GLN A 97 -12.525 3.400 4.574 1.00 0.00 C ATOM 1462 O GLN A 97 -11.807 4.009 3.783 1.00 0.00 O ATOM 1463 CB GLN A 97 -13.817 1.418 3.702 1.00 0.00 C ATOM 1464 CG GLN A 97 -13.262 0.541 4.826 1.00 0.00 C ATOM 1465 CD GLN A 97 -13.068 -0.901 4.351 1.00 0.00 C ATOM 1466 OE1 GLN A 97 -13.877 -1.457 3.627 1.00 0.00 O ATOM 1467 NE2 GLN A 97 -11.953 -1.472 4.798 1.00 0.00 N ATOM 0 H GLN A 97 -13.739 4.262 2.569 1.00 0.00 H new ATOM 0 HA GLN A 97 -14.572 2.936 4.992 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -14.808 1.065 3.416 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -13.181 1.331 2.821 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.310 0.945 5.171 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -13.943 0.559 5.677 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.319 -0.949 5.402 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -11.732 -2.433 4.537 1.00 0.00 H new ATOM 1476 N PHE A 98 -12.203 3.140 5.833 1.00 0.00 N ATOM 1477 CA PHE A 98 -10.930 3.572 6.384 1.00 0.00 C ATOM 1478 C PHE A 98 -10.209 2.413 7.075 1.00 0.00 C ATOM 1479 O PHE A 98 -10.838 1.429 7.463 1.00 0.00 O ATOM 1480 CB PHE A 98 -11.235 4.657 7.419 1.00 0.00 C ATOM 1481 CG PHE A 98 -11.586 6.016 6.810 1.00 0.00 C ATOM 1482 CD1 PHE A 98 -12.839 6.245 6.333 1.00 0.00 C ATOM 1483 CD2 PHE A 98 -10.645 6.996 6.745 1.00 0.00 C ATOM 1484 CE1 PHE A 98 -13.165 7.506 5.768 1.00 0.00 C ATOM 1485 CE2 PHE A 98 -10.971 8.257 6.181 1.00 0.00 C ATOM 1486 CZ PHE A 98 -12.224 8.486 5.704 1.00 0.00 C ATOM 0 H PHE A 98 -12.802 2.636 6.487 1.00 0.00 H new ATOM 0 HA PHE A 98 -10.286 3.941 5.586 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -12.064 4.326 8.044 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -10.370 4.775 8.072 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -13.586 5.467 6.384 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -9.650 6.815 7.123 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -14.160 7.687 5.389 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -10.224 9.035 6.131 1.00 0.00 H new ATOM 0 HZ PHE A 98 -12.472 9.446 5.275 1.00 0.00 H new ATOM 1496 N ILE A 99 -8.900 2.567 7.209 1.00 0.00 N ATOM 1497 CA ILE A 99 -8.088 1.546 7.847 1.00 0.00 C ATOM 1498 C ILE A 99 -7.132 2.208 8.842 1.00 0.00 C ATOM 1499 O ILE A 99 -6.933 3.421 8.803 1.00 0.00 O ATOM 1500 CB ILE A 99 -7.383 0.687 6.795 1.00 0.00 C ATOM 1501 CG1 ILE A 99 -8.396 -0.105 5.965 1.00 0.00 C ATOM 1502 CG2 ILE A 99 -6.336 -0.222 7.441 1.00 0.00 C ATOM 1503 CD1 ILE A 99 -8.904 0.724 4.784 1.00 0.00 C ATOM 0 H ILE A 99 -8.382 3.384 6.886 1.00 0.00 H new ATOM 0 HA ILE A 99 -8.716 0.861 8.416 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.855 1.351 6.111 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.934 -1.022 5.599 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.235 -0.401 6.594 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.850 -0.822 6.671 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.590 0.387 7.951 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.821 -0.881 8.162 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -9.622 0.138 4.210 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -9.387 1.628 5.155 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -8.065 0.997 4.144 1.00 0.00 H new ATOM 1515 N GLN A 100 -6.565 1.381 9.708 1.00 0.00 N ATOM 1516 CA GLN A 100 -5.634 1.871 10.711 1.00 0.00 C ATOM 1517 C GLN A 100 -4.334 1.067 10.667 1.00 0.00 C ATOM 1518 O GLN A 100 -4.167 0.108 11.419 1.00 0.00 O ATOM 1519 CB GLN A 100 -6.259 1.827 12.107 1.00 0.00 C ATOM 1520 CG GLN A 100 -7.776 2.014 12.035 1.00 0.00 C ATOM 1521 CD GLN A 100 -8.356 2.334 13.414 1.00 0.00 C ATOM 1522 OE1 GLN A 100 -7.764 2.055 14.444 1.00 0.00 O ATOM 1523 NE2 GLN A 100 -9.543 2.932 13.377 1.00 0.00 N ATOM 0 H GLN A 100 -6.732 0.375 9.736 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.402 2.912 10.485 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -6.029 0.874 12.582 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.822 2.608 12.730 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.014 2.820 11.341 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -8.239 1.109 11.643 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -9.983 3.137 12.480 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -10.013 3.186 14.246 1.00 0.00 H new ATOM 1532 N GLY A 101 -3.445 1.487 9.778 1.00 0.00 N ATOM 1533 CA GLY A 101 -2.165 0.817 9.626 1.00 0.00 C ATOM 1534 C GLY A 101 -1.128 1.391 10.593 1.00 0.00 C ATOM 1535 O GLY A 101 -1.466 2.174 11.479 1.00 0.00 O ATOM 0 H GLY A 101 -3.586 2.283 9.156 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -2.286 -0.251 9.808 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -1.812 0.928 8.601 1.00 0.00 H new ATOM 1539 N GLU A 102 0.115 0.980 10.390 1.00 0.00 N ATOM 1540 CA GLU A 102 1.204 1.443 11.233 1.00 0.00 C ATOM 1541 C GLU A 102 2.504 1.515 10.429 1.00 0.00 C ATOM 1542 O GLU A 102 2.613 0.911 9.363 1.00 0.00 O ATOM 1543 CB GLU A 102 1.368 0.545 12.461 1.00 0.00 C ATOM 1544 CG GLU A 102 0.199 0.725 13.431 1.00 0.00 C ATOM 1545 CD GLU A 102 0.652 0.522 14.879 1.00 0.00 C ATOM 1546 OE1 GLU A 102 1.371 -0.473 15.114 1.00 0.00 O ATOM 1547 OE2 GLU A 102 0.268 1.365 15.717 1.00 0.00 O ATOM 0 H GLU A 102 0.392 0.331 9.654 1.00 0.00 H new ATOM 0 HA GLU A 102 0.962 2.445 11.587 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.429 -0.497 12.148 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.304 0.781 12.966 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.224 1.723 13.315 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.591 0.014 13.190 1.00 0.00 H new ATOM 1554 N ILE A 103 3.457 2.259 10.971 1.00 0.00 N ATOM 1555 CA ILE A 103 4.745 2.417 10.317 1.00 0.00 C ATOM 1556 C ILE A 103 5.862 2.173 11.334 1.00 0.00 C ATOM 1557 O ILE A 103 6.167 3.043 12.148 1.00 0.00 O ATOM 1558 CB ILE A 103 4.831 3.779 9.626 1.00 0.00 C ATOM 1559 CG1 ILE A 103 3.841 3.867 8.463 1.00 0.00 C ATOM 1560 CG2 ILE A 103 6.264 4.080 9.182 1.00 0.00 C ATOM 1561 CD1 ILE A 103 4.154 5.066 7.565 1.00 0.00 C ATOM 0 H ILE A 103 3.363 2.759 11.855 1.00 0.00 H new ATOM 0 HA ILE A 103 4.864 1.676 9.527 1.00 0.00 H new ATOM 0 HB ILE A 103 4.550 4.546 10.348 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.881 2.949 7.877 1.00 0.00 H new ATOM 0 HG13 ILE A 103 2.826 3.954 8.851 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.297 5.054 8.694 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.920 4.088 10.052 1.00 0.00 H new ATOM 0 HG23 ILE A 103 6.597 3.313 8.483 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.435 5.105 6.746 1.00 0.00 H new ATOM 0 HD12 ILE A 103 4.089 5.984 8.149 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.161 4.964 7.159 1.00 0.00 H new ATOM 1573 N GLN A 104 6.441 0.984 11.255 1.00 0.00 N ATOM 1574 CA GLN A 104 7.517 0.614 12.158 1.00 0.00 C ATOM 1575 C GLN A 104 8.869 1.019 11.568 1.00 0.00 C ATOM 1576 O GLN A 104 9.031 1.061 10.349 1.00 0.00 O ATOM 1577 CB GLN A 104 7.481 -0.884 12.469 1.00 0.00 C ATOM 1578 CG GLN A 104 6.193 -1.261 13.204 1.00 0.00 C ATOM 1579 CD GLN A 104 6.501 -1.870 14.573 1.00 0.00 C ATOM 1580 OE1 GLN A 104 7.233 -1.316 15.377 1.00 0.00 O ATOM 1581 NE2 GLN A 104 5.904 -3.038 14.793 1.00 0.00 N ATOM 0 H GLN A 104 6.185 0.264 10.579 1.00 0.00 H new ATOM 0 HA GLN A 104 7.377 1.150 13.097 1.00 0.00 H new ATOM 0 HB2 GLN A 104 7.555 -1.453 11.542 1.00 0.00 H new ATOM 0 HB3 GLN A 104 8.344 -1.153 13.078 1.00 0.00 H new ATOM 0 HG2 GLN A 104 5.569 -0.376 13.328 1.00 0.00 H new ATOM 0 HG3 GLN A 104 5.623 -1.972 12.606 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.303 -3.447 14.077 1.00 0.00 H new ATOM 0 HE22 GLN A 104 6.047 -3.525 15.678 1.00 0.00 H new ATOM 1590 N LEU A 105 9.806 1.308 12.460 1.00 0.00 N ATOM 1591 CA LEU A 105 11.138 1.708 12.042 1.00 0.00 C ATOM 1592 C LEU A 105 12.003 0.462 11.847 1.00 0.00 C ATOM 1593 O LEU A 105 11.895 -0.499 12.608 1.00 0.00 O ATOM 1594 CB LEU A 105 11.728 2.718 13.029 1.00 0.00 C ATOM 1595 CG LEU A 105 13.226 2.585 13.309 1.00 0.00 C ATOM 1596 CD1 LEU A 105 14.052 3.049 12.107 1.00 0.00 C ATOM 1597 CD2 LEU A 105 13.613 3.328 14.590 1.00 0.00 C ATOM 0 H LEU A 105 9.668 1.273 13.470 1.00 0.00 H new ATOM 0 HA LEU A 105 11.098 2.221 11.081 1.00 0.00 H new ATOM 0 HB2 LEU A 105 11.537 3.722 12.649 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.192 2.628 13.974 1.00 0.00 H new ATOM 0 HG LEU A 105 13.451 1.530 13.467 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.113 2.944 12.332 1.00 0.00 H new ATOM 0 HD12 LEU A 105 13.804 2.440 11.238 1.00 0.00 H new ATOM 0 HD13 LEU A 105 13.828 4.094 11.893 1.00 0.00 H new ATOM 0 HD21 LEU A 105 14.683 3.217 14.766 1.00 0.00 H new ATOM 0 HD22 LEU A 105 13.370 4.385 14.485 1.00 0.00 H new ATOM 0 HD23 LEU A 105 13.062 2.911 15.433 1.00 0.00 H new ATOM 1609 N GLN A 106 12.843 0.517 10.823 1.00 0.00 N ATOM 1610 CA GLN A 106 13.726 -0.596 10.519 1.00 0.00 C ATOM 1611 C GLN A 106 14.467 -1.046 11.779 1.00 0.00 C ATOM 1612 O GLN A 106 14.810 -0.225 12.628 1.00 0.00 O ATOM 1613 CB GLN A 106 14.710 -0.226 9.407 1.00 0.00 C ATOM 1614 CG GLN A 106 14.294 -0.853 8.075 1.00 0.00 C ATOM 1615 CD GLN A 106 14.775 -2.303 7.977 1.00 0.00 C ATOM 1616 OE1 GLN A 106 14.394 -3.164 8.753 1.00 0.00 O ATOM 1617 NE2 GLN A 106 15.631 -2.522 6.984 1.00 0.00 N ATOM 0 H GLN A 106 12.930 1.315 10.194 1.00 0.00 H new ATOM 0 HA GLN A 106 13.120 -1.428 10.162 1.00 0.00 H new ATOM 0 HB2 GLN A 106 14.757 0.858 9.304 1.00 0.00 H new ATOM 0 HB3 GLN A 106 15.711 -0.564 9.675 1.00 0.00 H new ATOM 0 HG2 GLN A 106 13.209 -0.819 7.976 1.00 0.00 H new ATOM 0 HG3 GLN A 106 14.708 -0.272 7.251 1.00 0.00 H new ATOM 0 HE21 GLN A 106 15.908 -1.755 6.371 1.00 0.00 H new ATOM 0 HE22 GLN A 106 16.011 -3.457 6.835 1.00 0.00 H new ATOM 1626 N ASP A 107 14.691 -2.349 11.861 1.00 0.00 N ATOM 1627 CA ASP A 107 15.385 -2.919 13.004 1.00 0.00 C ATOM 1628 C ASP A 107 16.885 -2.971 12.710 1.00 0.00 C ATOM 1629 O ASP A 107 17.292 -3.046 11.552 1.00 0.00 O ATOM 1630 CB ASP A 107 14.907 -4.345 13.284 1.00 0.00 C ATOM 1631 CG ASP A 107 14.056 -4.507 14.544 1.00 0.00 C ATOM 1632 OD1 ASP A 107 14.643 -4.406 15.643 1.00 0.00 O ATOM 1633 OD2 ASP A 107 12.836 -4.728 14.381 1.00 0.00 O ATOM 0 H ASP A 107 14.404 -3.027 11.155 1.00 0.00 H new ATOM 0 HA ASP A 107 15.177 -2.293 13.872 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.330 -4.693 12.427 1.00 0.00 H new ATOM 0 HB3 ASP A 107 15.779 -4.994 13.367 1.00 0.00 H new ATOM 1638 N VAL A 108 17.667 -2.931 13.779 1.00 0.00 N ATOM 1639 CA VAL A 108 19.114 -2.973 13.651 1.00 0.00 C ATOM 1640 C VAL A 108 19.590 -4.422 13.766 1.00 0.00 C ATOM 1641 O VAL A 108 19.412 -5.057 14.805 1.00 0.00 O ATOM 1642 CB VAL A 108 19.758 -2.047 14.685 1.00 0.00 C ATOM 1643 CG1 VAL A 108 21.190 -2.487 14.996 1.00 0.00 C ATOM 1644 CG2 VAL A 108 19.721 -0.591 14.216 1.00 0.00 C ATOM 0 H VAL A 108 17.326 -2.870 14.738 1.00 0.00 H new ATOM 0 HA VAL A 108 19.422 -2.607 12.671 1.00 0.00 H new ATOM 0 HB VAL A 108 19.178 -2.116 15.605 1.00 0.00 H new ATOM 0 HG11 VAL A 108 21.626 -1.813 15.733 1.00 0.00 H new ATOM 0 HG12 VAL A 108 21.181 -3.502 15.393 1.00 0.00 H new ATOM 0 HG13 VAL A 108 21.785 -2.460 14.083 1.00 0.00 H new ATOM 0 HG21 VAL A 108 20.185 0.046 14.969 1.00 0.00 H new ATOM 0 HG22 VAL A 108 20.266 -0.497 13.276 1.00 0.00 H new ATOM 0 HG23 VAL A 108 18.686 -0.283 14.068 1.00 0.00 H new ATOM 1654 N ASN A 109 20.186 -4.904 12.685 1.00 0.00 N ATOM 1655 CA ASN A 109 20.689 -6.266 12.653 1.00 0.00 C ATOM 1656 C ASN A 109 21.363 -6.524 11.304 1.00 0.00 C ATOM 1657 O ASN A 109 22.541 -6.873 11.251 1.00 0.00 O ATOM 1658 CB ASN A 109 19.552 -7.277 12.814 1.00 0.00 C ATOM 1659 CG ASN A 109 20.036 -8.537 13.535 1.00 0.00 C ATOM 1660 OD1 ASN A 109 21.182 -8.942 13.430 1.00 0.00 O ATOM 1661 ND2 ASN A 109 19.102 -9.131 14.272 1.00 0.00 N ATOM 0 H ASN A 109 20.332 -4.375 11.825 1.00 0.00 H new ATOM 0 HA ASN A 109 21.396 -6.384 13.475 1.00 0.00 H new ATOM 0 HB2 ASN A 109 18.735 -6.824 13.375 1.00 0.00 H new ATOM 0 HB3 ASN A 109 19.156 -7.544 11.834 1.00 0.00 H new ATOM 0 HD21 ASN A 109 19.326 -9.979 14.793 1.00 0.00 H new ATOM 0 HD22 ASN A 109 18.161 -8.739 14.316 1.00 0.00 H new ATOM 1668 N ASP A 110 20.586 -6.343 10.246 1.00 0.00 N ATOM 1669 CA ASP A 110 21.093 -6.552 8.900 1.00 0.00 C ATOM 1670 C ASP A 110 21.433 -8.032 8.712 1.00 0.00 C ATOM 1671 O ASP A 110 22.430 -8.516 9.246 1.00 0.00 O ATOM 1672 CB ASP A 110 22.367 -5.740 8.659 1.00 0.00 C ATOM 1673 CG ASP A 110 22.329 -4.827 7.432 1.00 0.00 C ATOM 1674 OD1 ASP A 110 22.028 -5.356 6.340 1.00 0.00 O ATOM 1675 OD2 ASP A 110 22.602 -3.620 7.614 1.00 0.00 O ATOM 0 H ASP A 110 19.609 -6.054 10.294 1.00 0.00 H new ATOM 0 HA ASP A 110 20.324 -6.233 8.197 1.00 0.00 H new ATOM 0 HB2 ASP A 110 22.564 -5.130 9.541 1.00 0.00 H new ATOM 0 HB3 ASP A 110 23.205 -6.429 8.555 1.00 0.00 H new ATOM 1680 N HIS A 111 20.586 -8.709 7.951 1.00 0.00 N ATOM 1681 CA HIS A 111 20.784 -10.124 7.686 1.00 0.00 C ATOM 1682 C HIS A 111 19.821 -10.580 6.588 1.00 0.00 C ATOM 1683 O HIS A 111 18.929 -11.389 6.837 1.00 0.00 O ATOM 1684 CB HIS A 111 20.648 -10.942 8.971 1.00 0.00 C ATOM 1685 CG HIS A 111 20.933 -12.414 8.795 1.00 0.00 C ATOM 1686 ND1 HIS A 111 22.199 -12.907 8.532 1.00 0.00 N ATOM 1687 CD2 HIS A 111 20.102 -13.495 8.849 1.00 0.00 C ATOM 1688 CE1 HIS A 111 22.122 -14.226 8.432 1.00 0.00 C ATOM 1689 NE2 HIS A 111 20.822 -14.588 8.628 1.00 0.00 N ATOM 0 H HIS A 111 19.761 -8.304 7.509 1.00 0.00 H new ATOM 0 HA HIS A 111 21.798 -10.291 7.324 1.00 0.00 H new ATOM 0 HB2 HIS A 111 21.328 -10.538 9.721 1.00 0.00 H new ATOM 0 HB3 HIS A 111 19.637 -10.822 9.361 1.00 0.00 H new ATOM 0 HD2 HIS A 111 19.039 -13.466 9.039 1.00 0.00 H new ATOM 0 HE1 HIS A 111 22.944 -14.897 8.231 1.00 0.00 H new ATOM 0 HE2 HIS A 111 20.462 -15.542 8.608 1.00 0.00 H new ATOM 1697 N ALA A 112 20.035 -10.041 5.396 1.00 0.00 N ATOM 1698 CA ALA A 112 19.197 -10.383 4.259 1.00 0.00 C ATOM 1699 C ALA A 112 20.023 -11.172 3.242 1.00 0.00 C ATOM 1700 O ALA A 112 21.006 -10.662 2.705 1.00 0.00 O ATOM 1701 CB ALA A 112 18.601 -9.106 3.662 1.00 0.00 C ATOM 0 H ALA A 112 20.776 -9.370 5.193 1.00 0.00 H new ATOM 0 HA ALA A 112 18.366 -11.016 4.571 1.00 0.00 H new ATOM 0 HB1 ALA A 112 17.972 -9.362 2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 112 18.000 -8.598 4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 112 19.406 -8.447 3.335 1.00 0.00 H new ATOM 1707 N PRO A 113 19.583 -12.436 3.001 1.00 0.00 N ATOM 1708 CA PRO A 113 20.271 -13.301 2.057 1.00 0.00 C ATOM 1709 C PRO A 113 19.973 -12.885 0.615 1.00 0.00 C ATOM 1710 O PRO A 113 19.244 -11.923 0.381 1.00 0.00 O ATOM 1711 CB PRO A 113 19.785 -14.704 2.383 1.00 0.00 C ATOM 1712 CG PRO A 113 18.503 -14.527 3.180 1.00 0.00 C ATOM 1713 CD PRO A 113 18.424 -13.073 3.618 1.00 0.00 C ATOM 0 HA PRO A 113 21.356 -13.240 2.143 1.00 0.00 H new ATOM 0 HB2 PRO A 113 19.603 -15.276 1.473 1.00 0.00 H new ATOM 0 HB3 PRO A 113 20.531 -15.251 2.959 1.00 0.00 H new ATOM 0 HG2 PRO A 113 17.637 -14.791 2.573 1.00 0.00 H new ATOM 0 HG3 PRO A 113 18.498 -15.188 4.047 1.00 0.00 H new ATOM 0 HD2 PRO A 113 17.495 -12.610 3.287 1.00 0.00 H new ATOM 0 HD3 PRO A 113 18.455 -12.984 4.704 1.00 0.00 H new ATOM 1721 N GLU A 114 20.551 -13.632 -0.314 1.00 0.00 N ATOM 1722 CA GLU A 114 20.357 -13.354 -1.726 1.00 0.00 C ATOM 1723 C GLU A 114 20.108 -14.653 -2.495 1.00 0.00 C ATOM 1724 O GLU A 114 20.672 -15.694 -2.160 1.00 0.00 O ATOM 1725 CB GLU A 114 21.553 -12.595 -2.305 1.00 0.00 C ATOM 1726 CG GLU A 114 21.134 -11.212 -2.809 1.00 0.00 C ATOM 1727 CD GLU A 114 21.068 -11.182 -4.337 1.00 0.00 C ATOM 1728 OE1 GLU A 114 20.032 -11.637 -4.869 1.00 0.00 O ATOM 1729 OE2 GLU A 114 22.054 -10.705 -4.938 1.00 0.00 O ATOM 0 H GLU A 114 21.154 -14.430 -0.116 1.00 0.00 H new ATOM 0 HA GLU A 114 19.478 -12.718 -1.833 1.00 0.00 H new ATOM 0 HB2 GLU A 114 22.325 -12.490 -1.543 1.00 0.00 H new ATOM 0 HB3 GLU A 114 21.990 -13.167 -3.124 1.00 0.00 H new ATOM 0 HG2 GLU A 114 20.161 -10.949 -2.394 1.00 0.00 H new ATOM 0 HG3 GLU A 114 21.843 -10.463 -2.457 1.00 0.00 H new ATOM 1736 N PHE A 115 19.264 -14.550 -3.510 1.00 0.00 N ATOM 1737 CA PHE A 115 18.934 -15.705 -4.329 1.00 0.00 C ATOM 1738 C PHE A 115 18.376 -15.273 -5.686 1.00 0.00 C ATOM 1739 O PHE A 115 17.163 -15.151 -5.853 1.00 0.00 O ATOM 1740 CB PHE A 115 17.859 -16.493 -3.577 1.00 0.00 C ATOM 1741 CG PHE A 115 17.933 -18.006 -3.793 1.00 0.00 C ATOM 1742 CD1 PHE A 115 19.044 -18.694 -3.418 1.00 0.00 C ATOM 1743 CD2 PHE A 115 16.886 -18.663 -4.361 1.00 0.00 C ATOM 1744 CE1 PHE A 115 19.112 -20.098 -3.618 1.00 0.00 C ATOM 1745 CE2 PHE A 115 16.954 -20.067 -4.562 1.00 0.00 C ATOM 1746 CZ PHE A 115 18.066 -20.755 -4.187 1.00 0.00 C ATOM 0 H PHE A 115 18.798 -13.685 -3.785 1.00 0.00 H new ATOM 0 HA PHE A 115 19.828 -16.303 -4.507 1.00 0.00 H new ATOM 0 HB2 PHE A 115 17.948 -16.283 -2.511 1.00 0.00 H new ATOM 0 HB3 PHE A 115 16.877 -16.139 -3.891 1.00 0.00 H new ATOM 0 HD1 PHE A 115 19.875 -18.172 -2.968 1.00 0.00 H new ATOM 0 HD2 PHE A 115 16.003 -18.117 -4.659 1.00 0.00 H new ATOM 0 HE1 PHE A 115 19.994 -20.644 -3.318 1.00 0.00 H new ATOM 0 HE2 PHE A 115 16.123 -20.589 -5.013 1.00 0.00 H new ATOM 0 HZ PHE A 115 18.118 -21.823 -4.341 1.00 0.00 H new ATOM 1756 N MET A 116 19.288 -15.053 -6.622 1.00 0.00 N ATOM 1757 CA MET A 116 18.902 -14.637 -7.960 1.00 0.00 C ATOM 1758 C MET A 116 19.706 -15.390 -9.021 1.00 0.00 C ATOM 1759 O MET A 116 19.738 -14.987 -10.183 1.00 0.00 O ATOM 1760 CB MET A 116 19.136 -13.133 -8.114 1.00 0.00 C ATOM 1761 CG MET A 116 18.543 -12.618 -9.428 1.00 0.00 C ATOM 1762 SD MET A 116 17.443 -11.249 -9.106 1.00 0.00 S ATOM 1763 CE MET A 116 17.117 -10.714 -10.778 1.00 0.00 C ATOM 0 H MET A 116 20.293 -15.155 -6.480 1.00 0.00 H new ATOM 0 HA MET A 116 17.846 -14.866 -8.101 1.00 0.00 H new ATOM 0 HB2 MET A 116 18.685 -12.603 -7.275 1.00 0.00 H new ATOM 0 HB3 MET A 116 20.205 -12.923 -8.086 1.00 0.00 H new ATOM 0 HG2 MET A 116 19.342 -12.303 -10.099 1.00 0.00 H new ATOM 0 HG3 MET A 116 18.002 -13.419 -9.931 1.00 0.00 H new ATOM 0 HE1 MET A 116 16.441 -9.859 -10.761 1.00 0.00 H new ATOM 0 HE2 MET A 116 18.053 -10.427 -11.257 1.00 0.00 H new ATOM 0 HE3 MET A 116 16.658 -11.529 -11.338 1.00 0.00 H new ATOM 1773 N GLU A 117 20.337 -16.470 -8.584 1.00 0.00 N ATOM 1774 CA GLU A 117 21.139 -17.283 -9.482 1.00 0.00 C ATOM 1775 C GLU A 117 20.303 -18.434 -10.046 1.00 0.00 C ATOM 1776 O GLU A 117 19.577 -19.098 -9.308 1.00 0.00 O ATOM 1777 CB GLU A 117 22.390 -17.809 -8.776 1.00 0.00 C ATOM 1778 CG GLU A 117 23.659 -17.222 -9.398 1.00 0.00 C ATOM 1779 CD GLU A 117 24.137 -15.997 -8.616 1.00 0.00 C ATOM 1780 OE1 GLU A 117 24.385 -16.161 -7.402 1.00 0.00 O ATOM 1781 OE2 GLU A 117 24.244 -14.926 -9.250 1.00 0.00 O ATOM 0 H GLU A 117 20.309 -16.801 -7.620 1.00 0.00 H new ATOM 0 HA GLU A 117 21.466 -16.657 -10.312 1.00 0.00 H new ATOM 0 HB2 GLU A 117 22.348 -17.554 -7.717 1.00 0.00 H new ATOM 0 HB3 GLU A 117 22.418 -18.897 -8.841 1.00 0.00 H new ATOM 0 HG2 GLU A 117 24.444 -17.978 -9.412 1.00 0.00 H new ATOM 0 HG3 GLU A 117 23.465 -16.944 -10.434 1.00 0.00 H new ATOM 1788 N ASP A 118 20.433 -18.635 -11.349 1.00 0.00 N ATOM 1789 CA ASP A 118 19.699 -19.694 -12.020 1.00 0.00 C ATOM 1790 C ASP A 118 20.171 -19.795 -13.472 1.00 0.00 C ATOM 1791 O ASP A 118 19.654 -19.101 -14.346 1.00 0.00 O ATOM 1792 CB ASP A 118 18.197 -19.402 -12.030 1.00 0.00 C ATOM 1793 CG ASP A 118 17.825 -17.938 -12.277 1.00 0.00 C ATOM 1794 OD1 ASP A 118 17.716 -17.573 -13.467 1.00 0.00 O ATOM 1795 OD2 ASP A 118 17.657 -17.218 -11.269 1.00 0.00 O ATOM 0 H ASP A 118 21.036 -18.082 -11.958 1.00 0.00 H new ATOM 0 HA ASP A 118 19.882 -20.624 -11.482 1.00 0.00 H new ATOM 0 HB2 ASP A 118 17.728 -20.015 -12.799 1.00 0.00 H new ATOM 0 HB3 ASP A 118 17.775 -19.712 -11.074 1.00 0.00 H new ATOM 1800 N GLU A 119 21.146 -20.666 -13.684 1.00 0.00 N ATOM 1801 CA GLU A 119 21.694 -20.867 -15.015 1.00 0.00 C ATOM 1802 C GLU A 119 22.627 -22.079 -15.027 1.00 0.00 C ATOM 1803 O GLU A 119 22.977 -22.608 -13.974 1.00 0.00 O ATOM 1804 CB GLU A 119 22.419 -19.612 -15.505 1.00 0.00 C ATOM 1805 CG GLU A 119 21.624 -18.916 -16.611 1.00 0.00 C ATOM 1806 CD GLU A 119 21.612 -17.400 -16.408 1.00 0.00 C ATOM 1807 OE1 GLU A 119 22.716 -16.844 -16.221 1.00 0.00 O ATOM 1808 OE2 GLU A 119 20.499 -16.831 -16.443 1.00 0.00 O ATOM 0 H GLU A 119 21.571 -21.241 -12.957 1.00 0.00 H new ATOM 0 HA GLU A 119 20.869 -21.061 -15.701 1.00 0.00 H new ATOM 0 HB2 GLU A 119 22.568 -18.925 -14.672 1.00 0.00 H new ATOM 0 HB3 GLU A 119 23.408 -19.881 -15.877 1.00 0.00 H new ATOM 0 HG2 GLU A 119 22.060 -19.153 -17.581 1.00 0.00 H new ATOM 0 HG3 GLU A 119 20.601 -19.293 -16.621 1.00 0.00 H new ATOM 1815 N SER A 120 23.002 -22.485 -16.232 1.00 0.00 N ATOM 1816 CA SER A 120 23.888 -23.625 -16.395 1.00 0.00 C ATOM 1817 C SER A 120 24.123 -23.895 -17.883 1.00 0.00 C ATOM 1818 O SER A 120 23.301 -23.531 -18.721 1.00 0.00 O ATOM 1819 CB SER A 120 23.316 -24.869 -15.713 1.00 0.00 C ATOM 1820 OG SER A 120 23.917 -25.106 -14.443 1.00 0.00 O ATOM 0 H SER A 120 22.708 -22.045 -17.104 1.00 0.00 H new ATOM 0 HA SER A 120 24.840 -23.390 -15.920 1.00 0.00 H new ATOM 0 HB2 SER A 120 22.240 -24.751 -15.588 1.00 0.00 H new ATOM 0 HB3 SER A 120 23.470 -25.737 -16.354 1.00 0.00 H new ATOM 0 HG SER A 120 23.790 -24.322 -13.869 1.00 0.00 H new ATOM 1826 N GLY A 121 25.250 -24.532 -18.165 1.00 0.00 N ATOM 1827 CA GLY A 121 25.604 -24.856 -19.536 1.00 0.00 C ATOM 1828 C GLY A 121 26.519 -26.081 -19.592 1.00 0.00 C ATOM 1829 O GLY A 121 27.123 -26.456 -18.588 1.00 0.00 O ATOM 0 H GLY A 121 25.930 -24.832 -17.467 1.00 0.00 H new ATOM 0 HA2 GLY A 121 24.699 -25.047 -20.113 1.00 0.00 H new ATOM 0 HA3 GLY A 121 26.103 -24.004 -19.998 1.00 0.00 H new ATOM 1833 N PRO A 122 26.595 -26.687 -20.807 1.00 0.00 N ATOM 1834 CA PRO A 122 27.426 -27.862 -21.007 1.00 0.00 C ATOM 1835 C PRO A 122 28.907 -27.483 -21.066 1.00 0.00 C ATOM 1836 O PRO A 122 29.250 -26.302 -21.050 1.00 0.00 O ATOM 1837 CB PRO A 122 26.921 -28.486 -22.298 1.00 0.00 C ATOM 1838 CG PRO A 122 26.144 -27.393 -23.013 1.00 0.00 C ATOM 1839 CD PRO A 122 25.893 -26.272 -22.018 1.00 0.00 C ATOM 0 HA PRO A 122 27.356 -28.572 -20.183 1.00 0.00 H new ATOM 0 HB2 PRO A 122 27.750 -28.841 -22.911 1.00 0.00 H new ATOM 0 HB3 PRO A 122 26.285 -29.347 -22.093 1.00 0.00 H new ATOM 0 HG2 PRO A 122 26.706 -27.023 -23.870 1.00 0.00 H new ATOM 0 HG3 PRO A 122 25.200 -27.783 -23.395 1.00 0.00 H new ATOM 0 HD2 PRO A 122 26.273 -25.320 -22.390 1.00 0.00 H new ATOM 0 HD3 PRO A 122 24.827 -26.139 -21.832 1.00 0.00 H new ATOM 1847 N SER A 123 29.745 -28.507 -21.132 1.00 0.00 N ATOM 1848 CA SER A 123 31.181 -28.296 -21.193 1.00 0.00 C ATOM 1849 C SER A 123 31.707 -28.673 -22.579 1.00 0.00 C ATOM 1850 O SER A 123 31.019 -29.345 -23.346 1.00 0.00 O ATOM 1851 CB SER A 123 31.903 -29.105 -20.114 1.00 0.00 C ATOM 1852 OG SER A 123 31.288 -28.960 -18.837 1.00 0.00 O ATOM 0 H SER A 123 29.457 -29.485 -21.145 1.00 0.00 H new ATOM 0 HA SER A 123 31.379 -27.240 -21.011 1.00 0.00 H new ATOM 0 HB2 SER A 123 31.911 -30.158 -20.395 1.00 0.00 H new ATOM 0 HB3 SER A 123 32.943 -28.783 -20.054 1.00 0.00 H new ATOM 0 HG SER A 123 31.777 -29.493 -18.176 1.00 0.00 H new ATOM 1858 N SER A 124 32.921 -28.223 -22.859 1.00 0.00 N ATOM 1859 CA SER A 124 33.547 -28.505 -24.140 1.00 0.00 C ATOM 1860 C SER A 124 35.069 -28.527 -23.985 1.00 0.00 C ATOM 1861 O SER A 124 35.600 -28.072 -22.973 1.00 0.00 O ATOM 1862 CB SER A 124 33.136 -27.474 -25.192 1.00 0.00 C ATOM 1863 OG SER A 124 33.310 -26.138 -24.728 1.00 0.00 O ATOM 0 H SER A 124 33.488 -27.665 -22.221 1.00 0.00 H new ATOM 0 HA SER A 124 33.208 -29.484 -24.478 1.00 0.00 H new ATOM 0 HB2 SER A 124 33.727 -27.623 -26.096 1.00 0.00 H new ATOM 0 HB3 SER A 124 32.092 -27.630 -25.464 1.00 0.00 H new ATOM 0 HG SER A 124 33.038 -25.510 -25.430 1.00 0.00 H new ATOM 1869 N GLY A 125 35.728 -29.061 -25.003 1.00 0.00 N ATOM 1870 CA GLY A 125 37.178 -29.148 -24.992 1.00 0.00 C ATOM 1871 C GLY A 125 37.695 -29.835 -26.258 1.00 0.00 C ATOM 1872 O GLY A 125 37.089 -29.722 -27.322 1.00 0.00 O ATOM 0 H GLY A 125 35.284 -29.438 -25.841 1.00 0.00 H new ATOM 0 HA2 GLY A 125 37.605 -28.148 -24.916 1.00 0.00 H new ATOM 0 HA3 GLY A 125 37.506 -29.703 -24.113 1.00 0.00 H new TER 1876 GLY A 125