USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 481 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 Single : A 1 MET CE :methyl -168:sc=-0.00443 (180deg=-0.181) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0 (180deg=-0.00516) USER MOD Single : A 3 LYS NZ :NH3+ 178:sc= 1.26 (180deg=1.2) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0282 USER MOD Single : A 13 ASN : amide:sc= -1.03 K(o=-1,f=-0.014) USER MOD Single : A 19 HIS : no HD1:sc= -0.203 X(o=-0.2,f=0.028) USER MOD Single : A 24 THR OG1 : rot 51:sc= 0.663 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc=-0.00623 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot -1:sc= 0.00627 USER MOD Single : A 42 SER OG : rot 66:sc= 0.583 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -1.98 K(o=-2,f=-4.7!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 72:sc= 1.18 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0.141 K(o=0.14,f=-3.9!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.181 -2.525 -3.447 1.00 0.00 N ATOM 2 CA MET A 1 -0.177 -2.848 -3.933 1.00 0.00 C ATOM 3 C MET A 1 -0.117 -3.932 -4.996 1.00 0.00 C ATOM 4 O MET A 1 0.203 -3.659 -6.156 1.00 0.00 O ATOM 5 CB MET A 1 -0.869 -1.601 -4.514 1.00 0.00 C ATOM 6 CG MET A 1 -1.162 -0.510 -3.495 1.00 0.00 C ATOM 7 SD MET A 1 -2.065 0.887 -4.206 1.00 0.00 S ATOM 8 CE MET A 1 -0.811 1.608 -5.267 1.00 0.00 C ATOM 0 H1 MET A 1 1.120 -1.807 -2.697 1.00 0.00 H new ATOM 0 H2 MET A 1 1.628 -3.384 -3.068 1.00 0.00 H new ATOM 0 H3 MET A 1 1.753 -2.156 -4.234 1.00 0.00 H new ATOM 0 HA MET A 1 -0.756 -3.206 -3.082 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.240 -1.186 -5.301 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.806 -1.905 -4.981 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.742 -0.932 -2.674 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.223 -0.153 -3.072 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.142 2.590 -5.606 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.121 1.711 -4.711 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.649 0.962 -6.130 1.00 0.00 H new ATOM 18 N GLY A 2 -0.407 -5.159 -4.601 1.00 0.00 N ATOM 19 CA GLY A 2 -0.400 -6.255 -5.539 1.00 0.00 C ATOM 20 C GLY A 2 -1.784 -6.539 -6.065 1.00 0.00 C ATOM 21 O GLY A 2 -2.144 -6.091 -7.157 1.00 0.00 O ATOM 0 H GLY A 2 -0.648 -5.415 -3.644 1.00 0.00 H new ATOM 0 HA2 GLY A 2 0.265 -6.020 -6.370 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -0.003 -7.147 -5.055 1.00 0.00 H new ATOM 25 N LYS A 3 -2.563 -7.279 -5.294 1.00 0.00 N ATOM 26 CA LYS A 3 -3.929 -7.600 -5.674 1.00 0.00 C ATOM 27 C LYS A 3 -4.816 -6.365 -5.557 1.00 0.00 C ATOM 28 O LYS A 3 -4.654 -5.563 -4.635 1.00 0.00 O ATOM 29 CB LYS A 3 -4.499 -8.710 -4.787 1.00 0.00 C ATOM 30 CG LYS A 3 -3.746 -10.027 -4.848 1.00 0.00 C ATOM 31 CD LYS A 3 -4.417 -11.074 -3.973 1.00 0.00 C ATOM 32 CE LYS A 3 -3.653 -12.387 -3.975 1.00 0.00 C ATOM 33 NZ LYS A 3 -2.429 -12.311 -3.140 1.00 0.00 N ATOM 0 H LYS A 3 -2.272 -7.670 -4.398 1.00 0.00 H new ATOM 0 HA LYS A 3 -3.913 -7.944 -6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.508 -8.361 -3.754 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.536 -8.887 -5.073 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.705 -10.380 -5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.717 -9.878 -4.521 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.493 -10.700 -2.952 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.434 -11.245 -4.326 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -4.298 -13.184 -3.604 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.380 -12.648 -4.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.952 -13.235 -3.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.787 -11.591 -3.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.688 -12.054 -2.166 1.00 0.00 H new ATOM 47 N ALA A 4 -5.740 -6.213 -6.483 1.00 0.00 N ATOM 48 CA ALA A 4 -6.676 -5.108 -6.434 1.00 0.00 C ATOM 49 C ALA A 4 -7.905 -5.511 -5.633 1.00 0.00 C ATOM 50 O ALA A 4 -8.869 -6.050 -6.178 1.00 0.00 O ATOM 51 CB ALA A 4 -7.066 -4.665 -7.835 1.00 0.00 C ATOM 0 H ALA A 4 -5.863 -6.840 -7.278 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.195 -4.263 -5.941 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -7.769 -3.835 -7.771 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.176 -4.346 -8.377 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -7.533 -5.496 -8.363 1.00 0.00 H new ATOM 57 N TYR A 5 -7.849 -5.290 -4.336 1.00 0.00 N ATOM 58 CA TYR A 5 -8.938 -5.665 -3.460 1.00 0.00 C ATOM 59 C TYR A 5 -9.615 -4.451 -2.860 1.00 0.00 C ATOM 60 O TYR A 5 -8.958 -3.508 -2.411 1.00 0.00 O ATOM 61 CB TYR A 5 -8.451 -6.598 -2.354 1.00 0.00 C ATOM 62 CG TYR A 5 -9.547 -7.069 -1.410 1.00 0.00 C ATOM 63 CD1 TYR A 5 -10.476 -8.020 -1.813 1.00 0.00 C ATOM 64 CD2 TYR A 5 -9.642 -6.570 -0.116 1.00 0.00 C ATOM 65 CE1 TYR A 5 -11.465 -8.462 -0.957 1.00 0.00 C ATOM 66 CE2 TYR A 5 -10.633 -7.006 0.744 1.00 0.00 C ATOM 67 CZ TYR A 5 -11.541 -7.953 0.320 1.00 0.00 C ATOM 68 OH TYR A 5 -12.524 -8.399 1.177 1.00 0.00 O ATOM 0 H TYR A 5 -7.058 -4.851 -3.865 1.00 0.00 H new ATOM 0 HA TYR A 5 -9.673 -6.194 -4.066 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.980 -7.469 -2.810 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.682 -6.087 -1.774 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -10.424 -8.421 -2.814 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -8.931 -5.831 0.223 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -12.176 -9.204 -1.288 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -10.696 -6.606 1.745 1.00 0.00 H new ATOM 0 HH TYR A 5 -12.439 -7.941 2.039 1.00 0.00 H new ATOM 78 N TYR A 6 -10.923 -4.470 -2.880 1.00 0.00 N ATOM 79 CA TYR A 6 -11.709 -3.422 -2.290 1.00 0.00 C ATOM 80 C TYR A 6 -12.505 -3.979 -1.133 1.00 0.00 C ATOM 81 O TYR A 6 -13.139 -5.025 -1.255 1.00 0.00 O ATOM 82 CB TYR A 6 -12.648 -2.803 -3.329 1.00 0.00 C ATOM 83 CG TYR A 6 -11.929 -2.053 -4.426 1.00 0.00 C ATOM 84 CD1 TYR A 6 -11.435 -2.714 -5.543 1.00 0.00 C ATOM 85 CD2 TYR A 6 -11.749 -0.682 -4.344 1.00 0.00 C ATOM 86 CE1 TYR A 6 -10.777 -2.028 -6.545 1.00 0.00 C ATOM 87 CE2 TYR A 6 -11.095 0.011 -5.339 1.00 0.00 C ATOM 88 CZ TYR A 6 -10.611 -0.664 -6.435 1.00 0.00 C ATOM 89 OH TYR A 6 -9.955 0.030 -7.420 1.00 0.00 O ATOM 0 H TYR A 6 -11.473 -5.215 -3.307 1.00 0.00 H new ATOM 0 HA TYR A 6 -11.041 -2.641 -1.926 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -13.252 -3.593 -3.776 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -13.335 -2.123 -2.826 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -11.568 -3.782 -5.630 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -12.128 -0.147 -3.486 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -10.396 -2.555 -7.407 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -10.963 1.080 -5.259 1.00 0.00 H new ATOM 0 HH TYR A 6 -9.927 0.981 -7.186 1.00 0.00 H new ATOM 99 N ASP A 7 -12.446 -3.302 -0.014 1.00 0.00 N ATOM 100 CA ASP A 7 -13.189 -3.704 1.158 1.00 0.00 C ATOM 101 C ASP A 7 -14.534 -3.011 1.167 1.00 0.00 C ATOM 102 O ASP A 7 -14.608 -1.785 1.229 1.00 0.00 O ATOM 103 CB ASP A 7 -12.413 -3.375 2.430 1.00 0.00 C ATOM 104 CG ASP A 7 -13.124 -3.831 3.691 1.00 0.00 C ATOM 105 OD1 ASP A 7 -13.346 -5.051 3.839 1.00 0.00 O ATOM 106 OD2 ASP A 7 -13.436 -2.974 4.553 1.00 0.00 O ATOM 0 H ASP A 7 -11.885 -2.460 0.112 1.00 0.00 H new ATOM 0 HA ASP A 7 -13.341 -4.783 1.126 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -11.431 -3.846 2.382 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -12.248 -2.299 2.481 1.00 0.00 H new ATOM 111 N ILE A 8 -15.588 -3.781 1.085 1.00 0.00 N ATOM 112 CA ILE A 8 -16.919 -3.215 1.019 1.00 0.00 C ATOM 113 C ILE A 8 -17.633 -3.410 2.326 1.00 0.00 C ATOM 114 O ILE A 8 -17.634 -4.510 2.892 1.00 0.00 O ATOM 115 CB ILE A 8 -17.791 -3.860 -0.081 1.00 0.00 C ATOM 116 CG1 ILE A 8 -17.016 -4.048 -1.385 1.00 0.00 C ATOM 117 CG2 ILE A 8 -19.059 -3.049 -0.317 1.00 0.00 C ATOM 118 CD1 ILE A 8 -16.272 -5.367 -1.476 1.00 0.00 C ATOM 0 H ILE A 8 -15.555 -4.800 1.062 1.00 0.00 H new ATOM 0 HA ILE A 8 -16.783 -2.158 0.790 1.00 0.00 H new ATOM 0 HB ILE A 8 -18.077 -4.850 0.273 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -17.710 -3.976 -2.222 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -16.302 -3.232 -1.492 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -19.655 -3.524 -1.096 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -19.638 -3.002 0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -18.792 -2.039 -0.630 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.748 -5.424 -2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -15.551 -5.435 -0.661 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -16.982 -6.191 -1.402 1.00 0.00 H new ATOM 130 N VAL A 9 -18.238 -2.366 2.800 1.00 0.00 N ATOM 131 CA VAL A 9 -19.018 -2.440 4.001 1.00 0.00 C ATOM 132 C VAL A 9 -20.485 -2.444 3.623 1.00 0.00 C ATOM 133 O VAL A 9 -20.942 -1.603 2.838 1.00 0.00 O ATOM 134 CB VAL A 9 -18.706 -1.284 4.992 1.00 0.00 C ATOM 135 CG1 VAL A 9 -17.298 -1.430 5.546 1.00 0.00 C ATOM 136 CG2 VAL A 9 -18.872 0.077 4.329 1.00 0.00 C ATOM 0 H VAL A 9 -18.207 -1.442 2.370 1.00 0.00 H new ATOM 0 HA VAL A 9 -18.758 -3.361 4.523 1.00 0.00 H new ATOM 0 HB VAL A 9 -19.420 -1.346 5.813 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.093 -0.614 6.239 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -17.210 -2.381 6.070 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -16.580 -1.400 4.727 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -18.646 0.863 5.050 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -18.190 0.155 3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -19.899 0.189 3.980 1.00 0.00 H new ATOM 146 N GLY A 10 -21.215 -3.396 4.158 1.00 0.00 N ATOM 147 CA GLY A 10 -22.583 -3.546 3.773 1.00 0.00 C ATOM 148 C GLY A 10 -23.535 -3.226 4.876 1.00 0.00 C ATOM 149 O GLY A 10 -23.567 -3.897 5.908 1.00 0.00 O ATOM 0 H GLY A 10 -20.882 -4.066 4.851 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -22.789 -2.897 2.922 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -22.751 -4.570 3.440 1.00 0.00 H new ATOM 153 N SER A 11 -24.290 -2.183 4.674 1.00 0.00 N ATOM 154 CA SER A 11 -25.305 -1.770 5.596 1.00 0.00 C ATOM 155 C SER A 11 -26.401 -1.053 4.829 1.00 0.00 C ATOM 156 O SER A 11 -26.122 -0.296 3.904 1.00 0.00 O ATOM 157 CB SER A 11 -24.711 -0.870 6.685 1.00 0.00 C ATOM 158 OG SER A 11 -23.711 -1.564 7.426 1.00 0.00 O ATOM 0 H SER A 11 -24.214 -1.587 3.849 1.00 0.00 H new ATOM 0 HA SER A 11 -25.729 -2.643 6.092 1.00 0.00 H new ATOM 0 HB2 SER A 11 -24.280 0.022 6.231 1.00 0.00 H new ATOM 0 HB3 SER A 11 -25.501 -0.535 7.357 1.00 0.00 H new ATOM 0 HG SER A 11 -23.344 -0.971 8.115 1.00 0.00 H new ATOM 164 N ASP A 12 -27.636 -1.298 5.202 1.00 0.00 N ATOM 165 CA ASP A 12 -28.775 -0.706 4.514 1.00 0.00 C ATOM 166 C ASP A 12 -28.905 0.788 4.776 1.00 0.00 C ATOM 167 O ASP A 12 -29.796 1.426 4.257 1.00 0.00 O ATOM 168 CB ASP A 12 -30.084 -1.439 4.843 1.00 0.00 C ATOM 169 CG ASP A 12 -30.461 -1.382 6.306 1.00 0.00 C ATOM 170 OD1 ASP A 12 -29.883 -2.155 7.104 1.00 0.00 O ATOM 171 OD2 ASP A 12 -31.355 -0.588 6.661 1.00 0.00 O ATOM 0 H ASP A 12 -27.885 -1.906 5.982 1.00 0.00 H new ATOM 0 HA ASP A 12 -28.582 -0.827 3.448 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -30.891 -1.006 4.252 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -29.992 -2.482 4.541 1.00 0.00 H new ATOM 176 N ASN A 13 -28.046 1.343 5.598 1.00 0.00 N ATOM 177 CA ASN A 13 -28.085 2.780 5.802 1.00 0.00 C ATOM 178 C ASN A 13 -26.898 3.437 5.141 1.00 0.00 C ATOM 179 O ASN A 13 -26.996 4.556 4.628 1.00 0.00 O ATOM 180 CB ASN A 13 -28.054 3.105 7.285 1.00 0.00 C ATOM 181 CG ASN A 13 -29.286 2.647 8.039 1.00 0.00 C ATOM 182 OD1 ASN A 13 -29.215 2.314 9.221 1.00 0.00 O ATOM 183 ND2 ASN A 13 -30.424 2.631 7.372 1.00 0.00 N ATOM 0 H ASN A 13 -27.330 0.843 6.125 1.00 0.00 H new ATOM 0 HA ASN A 13 -29.008 3.157 5.361 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -27.174 2.641 7.730 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -27.944 4.182 7.409 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -31.283 2.336 7.836 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -30.445 2.914 6.392 1.00 0.00 H new ATOM 190 N ARG A 14 -25.785 2.734 5.129 1.00 0.00 N ATOM 191 CA ARG A 14 -24.586 3.258 4.544 1.00 0.00 C ATOM 192 C ARG A 14 -23.825 2.150 3.844 1.00 0.00 C ATOM 193 O ARG A 14 -23.516 1.124 4.450 1.00 0.00 O ATOM 194 CB ARG A 14 -23.722 3.887 5.614 1.00 0.00 C ATOM 195 CG ARG A 14 -22.797 4.962 5.100 1.00 0.00 C ATOM 196 CD ARG A 14 -21.917 5.478 6.207 1.00 0.00 C ATOM 197 NE ARG A 14 -21.231 6.707 5.835 1.00 0.00 N ATOM 198 CZ ARG A 14 -20.153 7.186 6.445 1.00 0.00 C ATOM 199 NH1 ARG A 14 -19.542 6.475 7.392 1.00 0.00 N ATOM 200 NH2 ARG A 14 -19.679 8.373 6.103 1.00 0.00 N ATOM 0 H ARG A 14 -25.694 1.797 5.521 1.00 0.00 H new ATOM 0 HA ARG A 14 -24.851 4.021 3.812 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -24.366 4.313 6.383 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -23.128 3.108 6.092 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -22.181 4.564 4.294 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -23.381 5.781 4.680 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -22.521 5.656 7.097 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -21.181 4.718 6.468 1.00 0.00 H new ATOM 0 HE ARG A 14 -21.605 7.239 5.049 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -19.902 5.557 7.652 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -18.714 6.849 7.856 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -20.141 8.916 5.374 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -18.851 8.745 6.569 1.00 0.00 H new ATOM 214 N TRP A 15 -23.535 2.346 2.599 1.00 0.00 N ATOM 215 CA TRP A 15 -22.810 1.371 1.830 1.00 0.00 C ATOM 216 C TRP A 15 -21.485 1.978 1.355 1.00 0.00 C ATOM 217 O TRP A 15 -21.460 3.116 0.877 1.00 0.00 O ATOM 218 CB TRP A 15 -23.687 0.907 0.679 1.00 0.00 C ATOM 219 CG TRP A 15 -23.005 -0.067 -0.229 1.00 0.00 C ATOM 220 CD1 TRP A 15 -22.925 -1.419 -0.074 1.00 0.00 C ATOM 221 CD2 TRP A 15 -22.296 0.241 -1.431 1.00 0.00 C ATOM 222 NE1 TRP A 15 -22.204 -1.966 -1.105 1.00 0.00 N ATOM 223 CE2 TRP A 15 -21.810 -0.967 -1.951 1.00 0.00 C ATOM 224 CE3 TRP A 15 -22.028 1.427 -2.116 1.00 0.00 C ATOM 225 CZ2 TRP A 15 -21.070 -1.026 -3.123 1.00 0.00 C ATOM 226 CZ3 TRP A 15 -21.292 1.368 -3.281 1.00 0.00 C ATOM 227 CH2 TRP A 15 -20.821 0.151 -3.773 1.00 0.00 C ATOM 0 H TRP A 15 -23.792 3.186 2.080 1.00 0.00 H new ATOM 0 HA TRP A 15 -22.564 0.498 2.435 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -24.590 0.447 1.081 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -24.002 1.774 0.099 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -23.364 -1.977 0.740 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -21.996 -2.958 -1.222 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -22.390 2.373 -1.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -20.704 -1.967 -3.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -21.077 2.278 -3.821 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -20.247 0.138 -4.688 1.00 0.00 H new ATOM 238 N GLY A 16 -20.382 1.234 1.493 1.00 0.00 N ATOM 239 CA GLY A 16 -19.092 1.826 1.193 1.00 0.00 C ATOM 240 C GLY A 16 -18.081 0.927 0.526 1.00 0.00 C ATOM 241 O GLY A 16 -18.061 -0.278 0.747 1.00 0.00 O ATOM 0 H GLY A 16 -20.361 0.261 1.798 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -19.254 2.692 0.552 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -18.660 2.194 2.124 1.00 0.00 H new ATOM 245 N ILE A 17 -17.231 1.552 -0.287 1.00 0.00 N ATOM 246 CA ILE A 17 -16.123 0.888 -0.959 1.00 0.00 C ATOM 247 C ILE A 17 -14.807 1.469 -0.451 1.00 0.00 C ATOM 248 O ILE A 17 -14.544 2.660 -0.621 1.00 0.00 O ATOM 249 CB ILE A 17 -16.182 1.112 -2.494 1.00 0.00 C ATOM 250 CG1 ILE A 17 -17.491 0.564 -3.073 1.00 0.00 C ATOM 251 CG2 ILE A 17 -14.981 0.460 -3.181 1.00 0.00 C ATOM 252 CD1 ILE A 17 -17.649 -0.934 -2.911 1.00 0.00 C ATOM 0 H ILE A 17 -17.296 2.548 -0.498 1.00 0.00 H new ATOM 0 HA ILE A 17 -16.192 -0.179 -0.748 1.00 0.00 H new ATOM 0 HB ILE A 17 -16.146 2.185 -2.681 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -18.330 1.063 -2.588 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -17.542 0.813 -4.133 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -15.041 0.628 -4.256 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -14.060 0.898 -2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -14.985 -0.611 -2.981 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -18.598 -1.249 -3.344 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -16.831 -1.443 -3.420 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -17.631 -1.189 -1.851 1.00 0.00 H new ATOM 264 N ARG A 18 -13.993 0.648 0.172 1.00 0.00 N ATOM 265 CA ARG A 18 -12.706 1.096 0.672 1.00 0.00 C ATOM 266 C ARG A 18 -11.570 0.375 -0.032 1.00 0.00 C ATOM 267 O ARG A 18 -11.486 -0.839 0.011 1.00 0.00 O ATOM 268 CB ARG A 18 -12.589 0.843 2.172 1.00 0.00 C ATOM 269 CG ARG A 18 -11.269 1.312 2.757 1.00 0.00 C ATOM 270 CD ARG A 18 -11.130 0.918 4.212 1.00 0.00 C ATOM 271 NE ARG A 18 -11.107 -0.540 4.377 1.00 0.00 N ATOM 272 CZ ARG A 18 -10.043 -1.311 4.159 1.00 0.00 C ATOM 273 NH1 ARG A 18 -8.925 -0.799 3.671 1.00 0.00 N ATOM 274 NH2 ARG A 18 -10.104 -2.606 4.415 1.00 0.00 N ATOM 0 H ARG A 18 -14.196 -0.336 0.347 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.636 2.166 0.475 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.407 1.350 2.684 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.705 -0.224 2.364 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.445 0.886 2.184 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.194 2.396 2.665 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.214 1.345 4.619 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.958 1.336 4.784 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.968 -0.996 4.680 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.871 0.197 3.457 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.117 -1.400 3.509 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.965 -3.014 4.779 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.290 -3.198 4.249 1.00 0.00 H new ATOM 288 N HIS A 19 -10.707 1.110 -0.686 1.00 0.00 N ATOM 289 CA HIS A 19 -9.544 0.498 -1.302 1.00 0.00 C ATOM 290 C HIS A 19 -8.444 0.337 -0.278 1.00 0.00 C ATOM 291 O HIS A 19 -7.978 1.324 0.292 1.00 0.00 O ATOM 292 CB HIS A 19 -9.051 1.322 -2.502 1.00 0.00 C ATOM 293 CG HIS A 19 -7.853 0.728 -3.204 1.00 0.00 C ATOM 294 ND1 HIS A 19 -6.597 1.305 -3.180 1.00 0.00 N ATOM 295 CD2 HIS A 19 -7.731 -0.391 -3.958 1.00 0.00 C ATOM 296 CE1 HIS A 19 -5.761 0.568 -3.884 1.00 0.00 C ATOM 297 NE2 HIS A 19 -6.424 -0.466 -4.366 1.00 0.00 N ATOM 0 H HIS A 19 -10.780 2.120 -0.808 1.00 0.00 H new ATOM 0 HA HIS A 19 -9.830 -0.486 -1.673 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -9.866 1.424 -3.219 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -8.799 2.326 -2.161 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.517 -1.093 -4.194 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -4.713 0.775 -4.040 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -6.028 -1.203 -4.949 1.00 0.00 H new ATOM 305 N ASP A 20 -8.045 -0.901 -0.031 1.00 0.00 N ATOM 306 CA ASP A 20 -6.965 -1.169 0.903 1.00 0.00 C ATOM 307 C ASP A 20 -5.678 -0.587 0.369 1.00 0.00 C ATOM 308 O ASP A 20 -5.291 -0.841 -0.773 1.00 0.00 O ATOM 309 CB ASP A 20 -6.815 -2.671 1.156 1.00 0.00 C ATOM 310 CG ASP A 20 -7.842 -3.202 2.119 1.00 0.00 C ATOM 311 OD1 ASP A 20 -7.545 -3.292 3.329 1.00 0.00 O ATOM 312 OD2 ASP A 20 -8.953 -3.520 1.686 1.00 0.00 O ATOM 0 H ASP A 20 -8.451 -1.731 -0.462 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.202 -0.697 1.856 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.900 -3.205 0.210 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.818 -2.872 1.547 1.00 0.00 H new ATOM 317 N ASP A 21 -5.029 0.206 1.186 1.00 0.00 N ATOM 318 CA ASP A 21 -3.815 0.902 0.783 1.00 0.00 C ATOM 319 C ASP A 21 -2.570 0.182 1.280 1.00 0.00 C ATOM 320 O ASP A 21 -1.441 0.581 0.979 1.00 0.00 O ATOM 321 CB ASP A 21 -3.850 2.349 1.298 1.00 0.00 C ATOM 322 CG ASP A 21 -3.680 2.459 2.812 1.00 0.00 C ATOM 323 OD1 ASP A 21 -4.547 1.930 3.557 1.00 0.00 O ATOM 324 OD2 ASP A 21 -2.698 3.096 3.268 1.00 0.00 O ATOM 0 H ASP A 21 -5.319 0.392 2.146 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.771 0.913 -0.306 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.061 2.920 0.809 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.798 2.806 1.012 1.00 0.00 H new ATOM 329 N ASP A 22 -2.779 -0.893 2.005 1.00 0.00 N ATOM 330 CA ASP A 22 -1.682 -1.666 2.562 1.00 0.00 C ATOM 331 C ASP A 22 -1.849 -3.147 2.175 1.00 0.00 C ATOM 332 O ASP A 22 -2.865 -3.508 1.582 1.00 0.00 O ATOM 333 CB ASP A 22 -1.620 -1.476 4.097 1.00 0.00 C ATOM 334 CG ASP A 22 -2.594 -2.349 4.856 1.00 0.00 C ATOM 335 OD1 ASP A 22 -2.142 -3.301 5.526 1.00 0.00 O ATOM 336 OD2 ASP A 22 -3.808 -2.088 4.801 1.00 0.00 O ATOM 0 H ASP A 22 -3.705 -1.258 2.227 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.736 -1.313 2.152 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.608 -1.692 4.441 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.821 -0.431 4.334 1.00 0.00 H new ATOM 341 N PRO A 23 -0.842 -4.022 2.477 1.00 0.00 N ATOM 342 CA PRO A 23 -0.872 -5.477 2.127 1.00 0.00 C ATOM 343 C PRO A 23 -2.008 -6.292 2.806 1.00 0.00 C ATOM 344 O PRO A 23 -1.817 -7.456 3.159 1.00 0.00 O ATOM 345 CB PRO A 23 0.498 -5.981 2.611 1.00 0.00 C ATOM 346 CG PRO A 23 1.344 -4.764 2.705 1.00 0.00 C ATOM 347 CD PRO A 23 0.426 -3.669 3.143 1.00 0.00 C ATOM 0 HA PRO A 23 -1.066 -5.607 1.062 1.00 0.00 H new ATOM 0 HB2 PRO A 23 0.416 -6.480 3.576 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.922 -6.703 1.913 1.00 0.00 H new ATOM 0 HG2 PRO A 23 2.155 -4.905 3.419 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.803 -4.530 1.744 1.00 0.00 H new ATOM 0 HD2 PRO A 23 0.319 -3.640 4.227 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.788 -2.689 2.832 1.00 0.00 H new ATOM 355 N THR A 24 -3.166 -5.682 2.957 1.00 0.00 N ATOM 356 CA THR A 24 -4.334 -6.334 3.518 1.00 0.00 C ATOM 357 C THR A 24 -5.288 -6.738 2.379 1.00 0.00 C ATOM 358 O THR A 24 -6.218 -7.530 2.565 1.00 0.00 O ATOM 359 CB THR A 24 -5.062 -5.381 4.512 1.00 0.00 C ATOM 360 OG1 THR A 24 -4.166 -5.011 5.565 1.00 0.00 O ATOM 361 CG2 THR A 24 -6.294 -6.034 5.120 1.00 0.00 C ATOM 0 H THR A 24 -3.325 -4.710 2.691 1.00 0.00 H new ATOM 0 HA THR A 24 -4.020 -7.225 4.062 1.00 0.00 H new ATOM 0 HB THR A 24 -5.381 -4.501 3.953 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.328 -4.680 5.180 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.773 -5.337 5.807 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.993 -6.301 4.327 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.000 -6.933 5.661 1.00 0.00 H new ATOM 369 N GLY A 25 -5.015 -6.199 1.187 1.00 0.00 N ATOM 370 CA GLY A 25 -5.856 -6.446 0.027 1.00 0.00 C ATOM 371 C GLY A 25 -5.694 -7.838 -0.575 1.00 0.00 C ATOM 372 O GLY A 25 -5.269 -7.981 -1.723 1.00 0.00 O ATOM 0 H GLY A 25 -4.217 -5.590 1.007 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.899 -6.304 0.311 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.629 -5.703 -0.737 1.00 0.00 H new ATOM 376 N ASP A 26 -6.018 -8.849 0.200 1.00 0.00 N ATOM 377 CA ASP A 26 -5.994 -10.229 -0.265 1.00 0.00 C ATOM 378 C ASP A 26 -7.407 -10.800 -0.271 1.00 0.00 C ATOM 379 O ASP A 26 -8.244 -10.400 0.546 1.00 0.00 O ATOM 380 CB ASP A 26 -5.064 -11.087 0.594 1.00 0.00 C ATOM 381 CG ASP A 26 -3.598 -10.913 0.236 1.00 0.00 C ATOM 382 OD1 ASP A 26 -3.270 -10.872 -0.977 1.00 0.00 O ATOM 383 OD2 ASP A 26 -2.765 -10.842 1.159 1.00 0.00 O ATOM 0 H ASP A 26 -6.307 -8.743 1.173 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.605 -10.243 -1.283 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -5.209 -10.831 1.644 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.338 -12.136 0.481 1.00 0.00 H new ATOM 388 N TYR A 27 -7.679 -11.728 -1.177 1.00 0.00 N ATOM 389 CA TYR A 27 -9.022 -12.294 -1.304 1.00 0.00 C ATOM 390 C TYR A 27 -8.992 -13.744 -1.768 1.00 0.00 C ATOM 391 O TYR A 27 -8.033 -14.183 -2.414 1.00 0.00 O ATOM 392 CB TYR A 27 -9.861 -11.449 -2.278 1.00 0.00 C ATOM 393 CG TYR A 27 -9.192 -11.196 -3.626 1.00 0.00 C ATOM 394 CD1 TYR A 27 -9.191 -12.158 -4.624 1.00 0.00 C ATOM 395 CD2 TYR A 27 -8.582 -9.981 -3.895 1.00 0.00 C ATOM 396 CE1 TYR A 27 -8.597 -11.918 -5.849 1.00 0.00 C ATOM 397 CE2 TYR A 27 -7.987 -9.732 -5.115 1.00 0.00 C ATOM 398 CZ TYR A 27 -7.998 -10.701 -6.088 1.00 0.00 C ATOM 399 OH TYR A 27 -7.409 -10.456 -7.309 1.00 0.00 O ATOM 0 H TYR A 27 -6.995 -12.106 -1.833 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.478 -12.275 -0.314 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.814 -11.950 -2.447 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -10.083 -10.490 -1.810 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.663 -13.112 -4.441 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.572 -9.214 -3.135 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.603 -12.680 -6.614 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -7.515 -8.779 -5.304 1.00 0.00 H new ATOM 0 HH TYR A 27 -7.033 -9.551 -7.315 1.00 0.00 H new ATOM 409 N SER A 28 -10.043 -14.489 -1.413 1.00 0.00 N ATOM 410 CA SER A 28 -10.175 -15.882 -1.820 1.00 0.00 C ATOM 411 C SER A 28 -10.448 -15.962 -3.317 1.00 0.00 C ATOM 412 O SER A 28 -9.888 -16.807 -4.023 1.00 0.00 O ATOM 413 CB SER A 28 -11.319 -16.556 -1.048 1.00 0.00 C ATOM 414 OG SER A 28 -11.371 -17.953 -1.321 1.00 0.00 O ATOM 0 H SER A 28 -10.815 -14.145 -0.842 1.00 0.00 H new ATOM 0 HA SER A 28 -9.243 -16.401 -1.596 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.183 -16.397 0.022 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.268 -16.094 -1.321 1.00 0.00 H new ATOM 0 HG SER A 28 -12.107 -18.358 -0.816 1.00 0.00 H new ATOM 420 N SER A 29 -11.303 -15.070 -3.796 1.00 0.00 N ATOM 421 CA SER A 29 -11.653 -15.016 -5.201 1.00 0.00 C ATOM 422 C SER A 29 -11.968 -13.578 -5.605 1.00 0.00 C ATOM 423 O SER A 29 -12.577 -12.825 -4.839 1.00 0.00 O ATOM 424 CB SER A 29 -12.858 -15.929 -5.485 1.00 0.00 C ATOM 425 OG SER A 29 -12.587 -17.270 -5.098 1.00 0.00 O ATOM 0 H SER A 29 -11.770 -14.368 -3.222 1.00 0.00 H new ATOM 0 HA SER A 29 -10.806 -15.368 -5.790 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.732 -15.561 -4.947 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.101 -15.896 -6.547 1.00 0.00 H new ATOM 0 HG SER A 29 -13.369 -17.830 -5.287 1.00 0.00 H new ATOM 431 N LYS A 30 -11.564 -13.208 -6.806 1.00 0.00 N ATOM 432 CA LYS A 30 -11.769 -11.856 -7.315 1.00 0.00 C ATOM 433 C LYS A 30 -13.254 -11.571 -7.489 1.00 0.00 C ATOM 434 O LYS A 30 -13.731 -10.474 -7.188 1.00 0.00 O ATOM 435 CB LYS A 30 -11.056 -11.697 -8.648 1.00 0.00 C ATOM 436 CG LYS A 30 -11.094 -10.287 -9.200 1.00 0.00 C ATOM 437 CD LYS A 30 -10.463 -10.220 -10.570 1.00 0.00 C ATOM 438 CE LYS A 30 -8.986 -10.556 -10.529 1.00 0.00 C ATOM 439 NZ LYS A 30 -8.405 -10.575 -11.881 1.00 0.00 N ATOM 0 H LYS A 30 -11.086 -13.830 -7.457 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.360 -11.146 -6.596 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.016 -12.003 -8.532 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.508 -12.373 -9.374 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -12.127 -9.943 -9.255 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.570 -9.614 -8.522 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.974 -10.912 -11.239 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.596 -9.220 -10.983 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.461 -9.824 -9.915 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.845 -11.528 -10.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.393 -10.808 -11.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.891 -11.291 -12.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.519 -9.640 -12.321 1.00 0.00 H new ATOM 453 N GLU A 31 -13.985 -12.578 -7.954 1.00 0.00 N ATOM 454 CA GLU A 31 -15.397 -12.426 -8.227 1.00 0.00 C ATOM 455 C GLU A 31 -16.182 -12.161 -6.951 1.00 0.00 C ATOM 456 O GLU A 31 -17.113 -11.402 -6.962 1.00 0.00 O ATOM 457 CB GLU A 31 -15.970 -13.665 -8.929 1.00 0.00 C ATOM 458 CG GLU A 31 -16.208 -14.842 -7.998 1.00 0.00 C ATOM 459 CD GLU A 31 -16.896 -16.000 -8.682 1.00 0.00 C ATOM 460 OE1 GLU A 31 -16.207 -16.831 -9.299 1.00 0.00 O ATOM 461 OE2 GLU A 31 -18.141 -16.078 -8.610 1.00 0.00 O ATOM 0 H GLU A 31 -13.615 -13.509 -8.148 1.00 0.00 H new ATOM 0 HA GLU A 31 -15.498 -11.567 -8.890 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.911 -13.397 -9.408 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.286 -13.972 -9.720 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.253 -15.179 -7.595 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.813 -14.514 -7.153 1.00 0.00 H new ATOM 468 N ALA A 32 -15.789 -12.783 -5.852 1.00 0.00 N ATOM 469 CA ALA A 32 -16.530 -12.627 -4.609 1.00 0.00 C ATOM 470 C ALA A 32 -16.512 -11.196 -4.143 1.00 0.00 C ATOM 471 O ALA A 32 -17.506 -10.694 -3.630 1.00 0.00 O ATOM 472 CB ALA A 32 -15.991 -13.529 -3.532 1.00 0.00 C ATOM 0 H ALA A 32 -14.973 -13.393 -5.793 1.00 0.00 H new ATOM 0 HA ALA A 32 -17.562 -12.914 -4.810 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -16.567 -13.388 -2.617 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -16.070 -14.567 -3.854 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.945 -13.286 -3.344 1.00 0.00 H new ATOM 478 N ALA A 33 -15.390 -10.536 -4.327 1.00 0.00 N ATOM 479 CA ALA A 33 -15.279 -9.159 -3.929 1.00 0.00 C ATOM 480 C ALA A 33 -16.067 -8.263 -4.871 1.00 0.00 C ATOM 481 O ALA A 33 -16.987 -7.579 -4.454 1.00 0.00 O ATOM 482 CB ALA A 33 -13.824 -8.733 -3.886 1.00 0.00 C ATOM 0 H ALA A 33 -14.549 -10.931 -4.747 1.00 0.00 H new ATOM 0 HA ALA A 33 -15.698 -9.058 -2.928 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -13.760 -7.688 -3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -13.285 -9.353 -3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -13.381 -8.852 -4.875 1.00 0.00 H new ATOM 488 N PHE A 34 -15.721 -8.306 -6.149 1.00 0.00 N ATOM 489 CA PHE A 34 -16.350 -7.443 -7.142 1.00 0.00 C ATOM 490 C PHE A 34 -17.824 -7.741 -7.376 1.00 0.00 C ATOM 491 O PHE A 34 -18.645 -6.824 -7.384 1.00 0.00 O ATOM 492 CB PHE A 34 -15.572 -7.467 -8.454 1.00 0.00 C ATOM 493 CG PHE A 34 -14.257 -6.797 -8.333 1.00 0.00 C ATOM 494 CD1 PHE A 34 -13.098 -7.541 -8.273 1.00 0.00 C ATOM 495 CD2 PHE A 34 -14.178 -5.418 -8.254 1.00 0.00 C ATOM 496 CE1 PHE A 34 -11.874 -6.933 -8.141 1.00 0.00 C ATOM 497 CE2 PHE A 34 -12.948 -4.796 -8.123 1.00 0.00 C ATOM 498 CZ PHE A 34 -11.792 -5.565 -8.066 1.00 0.00 C ATOM 0 H PHE A 34 -15.007 -8.930 -6.525 1.00 0.00 H new ATOM 0 HA PHE A 34 -16.316 -6.436 -6.725 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -15.425 -8.500 -8.769 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -16.158 -6.977 -9.232 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -13.154 -8.618 -8.331 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -15.079 -4.824 -8.295 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -10.976 -7.531 -8.096 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.887 -3.719 -8.065 1.00 0.00 H new ATOM 0 HZ PHE A 34 -10.829 -5.086 -7.963 1.00 0.00 H new ATOM 508 N GLU A 35 -18.168 -9.008 -7.556 1.00 0.00 N ATOM 509 CA GLU A 35 -19.544 -9.375 -7.841 1.00 0.00 C ATOM 510 C GLU A 35 -20.466 -8.990 -6.699 1.00 0.00 C ATOM 511 O GLU A 35 -21.506 -8.369 -6.915 1.00 0.00 O ATOM 512 CB GLU A 35 -19.681 -10.859 -8.162 1.00 0.00 C ATOM 513 CG GLU A 35 -21.072 -11.250 -8.621 1.00 0.00 C ATOM 514 CD GLU A 35 -21.164 -12.704 -8.995 1.00 0.00 C ATOM 515 OE1 GLU A 35 -20.964 -13.027 -10.183 1.00 0.00 O ATOM 516 OE2 GLU A 35 -21.444 -13.535 -8.108 1.00 0.00 O ATOM 0 H GLU A 35 -17.518 -9.792 -7.510 1.00 0.00 H new ATOM 0 HA GLU A 35 -19.844 -8.815 -8.727 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -18.963 -11.123 -8.938 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -19.422 -11.440 -7.277 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -21.787 -11.036 -7.827 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -21.354 -10.638 -9.478 1.00 0.00 H new ATOM 523 N ALA A 36 -20.073 -9.335 -5.478 1.00 0.00 N ATOM 524 CA ALA A 36 -20.876 -9.004 -4.319 1.00 0.00 C ATOM 525 C ALA A 36 -20.935 -7.500 -4.119 1.00 0.00 C ATOM 526 O ALA A 36 -21.983 -6.947 -3.786 1.00 0.00 O ATOM 527 CB ALA A 36 -20.347 -9.679 -3.077 1.00 0.00 C ATOM 0 H ALA A 36 -19.211 -9.839 -5.271 1.00 0.00 H new ATOM 0 HA ALA A 36 -21.886 -9.371 -4.499 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -20.970 -9.411 -2.224 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -20.365 -10.760 -3.215 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -19.323 -9.354 -2.894 1.00 0.00 H new ATOM 533 N ALA A 37 -19.797 -6.839 -4.340 1.00 0.00 N ATOM 534 CA ALA A 37 -19.707 -5.399 -4.200 1.00 0.00 C ATOM 535 C ALA A 37 -20.663 -4.696 -5.145 1.00 0.00 C ATOM 536 O ALA A 37 -21.446 -3.849 -4.725 1.00 0.00 O ATOM 537 CB ALA A 37 -18.289 -4.927 -4.445 1.00 0.00 C ATOM 0 H ALA A 37 -18.925 -7.289 -4.618 1.00 0.00 H new ATOM 0 HA ALA A 37 -19.990 -5.146 -3.178 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -18.242 -3.844 -4.335 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.620 -5.394 -3.722 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -17.983 -5.203 -5.454 1.00 0.00 H new ATOM 543 N CYS A 38 -20.614 -5.062 -6.424 1.00 0.00 N ATOM 544 CA CYS A 38 -21.488 -4.454 -7.406 1.00 0.00 C ATOM 545 C CYS A 38 -22.953 -4.818 -7.138 1.00 0.00 C ATOM 546 O CYS A 38 -23.862 -4.003 -7.350 1.00 0.00 O ATOM 547 CB CYS A 38 -21.080 -4.812 -8.838 1.00 0.00 C ATOM 548 SG CYS A 38 -21.114 -6.577 -9.240 1.00 0.00 S ATOM 0 H CYS A 38 -19.982 -5.771 -6.796 1.00 0.00 H new ATOM 0 HA CYS A 38 -21.384 -3.374 -7.306 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -21.741 -4.287 -9.528 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -20.072 -4.436 -9.015 1.00 0.00 H new ATOM 0 HG CYS A 38 -21.476 -7.254 -8.191 1.00 0.00 H new ATOM 554 N ALA A 39 -23.179 -6.054 -6.672 1.00 0.00 N ATOM 555 CA ALA A 39 -24.519 -6.518 -6.346 1.00 0.00 C ATOM 556 C ALA A 39 -25.118 -5.664 -5.242 1.00 0.00 C ATOM 557 O ALA A 39 -26.243 -5.170 -5.358 1.00 0.00 O ATOM 558 CB ALA A 39 -24.490 -7.982 -5.926 1.00 0.00 C ATOM 0 H ALA A 39 -22.445 -6.745 -6.515 1.00 0.00 H new ATOM 0 HA ALA A 39 -25.142 -6.427 -7.235 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -25.501 -8.312 -5.686 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -24.095 -8.587 -6.742 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -23.853 -8.096 -5.049 1.00 0.00 H new ATOM 564 N ALA A 40 -24.352 -5.475 -4.178 1.00 0.00 N ATOM 565 CA ALA A 40 -24.769 -4.637 -3.058 1.00 0.00 C ATOM 566 C ALA A 40 -24.924 -3.194 -3.501 1.00 0.00 C ATOM 567 O ALA A 40 -25.828 -2.491 -3.052 1.00 0.00 O ATOM 568 CB ALA A 40 -23.778 -4.749 -1.912 1.00 0.00 C ATOM 0 H ALA A 40 -23.429 -5.894 -4.064 1.00 0.00 H new ATOM 0 HA ALA A 40 -25.738 -4.989 -2.704 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -24.105 -4.118 -1.086 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -23.724 -5.785 -1.578 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -22.794 -4.425 -2.249 1.00 0.00 H new ATOM 574 N ALA A 41 -24.046 -2.764 -4.405 1.00 0.00 N ATOM 575 CA ALA A 41 -24.085 -1.410 -4.938 1.00 0.00 C ATOM 576 C ALA A 41 -25.402 -1.141 -5.615 1.00 0.00 C ATOM 577 O ALA A 41 -25.982 -0.071 -5.444 1.00 0.00 O ATOM 578 CB ALA A 41 -22.955 -1.196 -5.930 1.00 0.00 C ATOM 0 H ALA A 41 -23.295 -3.341 -4.784 1.00 0.00 H new ATOM 0 HA ALA A 41 -23.967 -0.719 -4.104 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -23.000 -0.179 -6.318 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -21.999 -1.352 -5.431 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -23.055 -1.903 -6.753 1.00 0.00 H new ATOM 584 N SER A 42 -25.885 -2.122 -6.370 1.00 0.00 N ATOM 585 CA SER A 42 -27.132 -1.968 -7.083 1.00 0.00 C ATOM 586 C SER A 42 -28.280 -1.708 -6.110 1.00 0.00 C ATOM 587 O SER A 42 -29.085 -0.805 -6.313 1.00 0.00 O ATOM 588 CB SER A 42 -27.432 -3.208 -7.917 1.00 0.00 C ATOM 589 OG SER A 42 -26.369 -3.493 -8.821 1.00 0.00 O ATOM 0 H SER A 42 -25.429 -3.025 -6.499 1.00 0.00 H new ATOM 0 HA SER A 42 -27.034 -1.111 -7.750 1.00 0.00 H new ATOM 0 HB2 SER A 42 -27.591 -4.062 -7.259 1.00 0.00 H new ATOM 0 HB3 SER A 42 -28.357 -3.059 -8.475 1.00 0.00 H new ATOM 0 HG SER A 42 -25.566 -3.736 -8.315 1.00 0.00 H new ATOM 595 N ASN A 43 -28.331 -2.501 -5.043 1.00 0.00 N ATOM 596 CA ASN A 43 -29.361 -2.344 -4.017 1.00 0.00 C ATOM 597 C ASN A 43 -29.223 -0.997 -3.327 1.00 0.00 C ATOM 598 O ASN A 43 -30.206 -0.274 -3.131 1.00 0.00 O ATOM 599 CB ASN A 43 -29.252 -3.468 -2.971 1.00 0.00 C ATOM 600 CG ASN A 43 -30.306 -3.366 -1.873 1.00 0.00 C ATOM 601 OD1 ASN A 43 -31.437 -2.950 -2.116 1.00 0.00 O ATOM 602 ND2 ASN A 43 -29.935 -3.742 -0.658 1.00 0.00 N ATOM 0 H ASN A 43 -27.672 -3.259 -4.865 1.00 0.00 H new ATOM 0 HA ASN A 43 -30.335 -2.399 -4.503 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -29.348 -4.432 -3.471 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -28.261 -3.441 -2.519 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -30.597 -3.692 0.116 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -28.987 -4.082 -0.497 1.00 0.00 H new ATOM 609 N ALA A 44 -27.987 -0.655 -2.985 1.00 0.00 N ATOM 610 CA ALA A 44 -27.702 0.567 -2.268 1.00 0.00 C ATOM 611 C ALA A 44 -28.107 1.807 -3.059 1.00 0.00 C ATOM 612 O ALA A 44 -28.846 2.659 -2.559 1.00 0.00 O ATOM 613 CB ALA A 44 -26.227 0.632 -1.913 1.00 0.00 C ATOM 0 H ALA A 44 -27.163 -1.218 -3.198 1.00 0.00 H new ATOM 0 HA ALA A 44 -28.297 0.555 -1.355 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -26.023 1.557 -1.373 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -25.966 -0.220 -1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -25.632 0.606 -2.826 1.00 0.00 H new ATOM 619 N ILE A 45 -27.657 1.887 -4.306 1.00 0.00 N ATOM 620 CA ILE A 45 -27.938 3.046 -5.141 1.00 0.00 C ATOM 621 C ILE A 45 -29.417 3.118 -5.509 1.00 0.00 C ATOM 622 O ILE A 45 -29.999 4.206 -5.571 1.00 0.00 O ATOM 623 CB ILE A 45 -27.049 3.087 -6.428 1.00 0.00 C ATOM 624 CG1 ILE A 45 -27.209 4.434 -7.151 1.00 0.00 C ATOM 625 CG2 ILE A 45 -27.382 1.934 -7.370 1.00 0.00 C ATOM 626 CD1 ILE A 45 -26.228 4.641 -8.288 1.00 0.00 C ATOM 0 H ILE A 45 -27.098 1.164 -4.759 1.00 0.00 H new ATOM 0 HA ILE A 45 -27.685 3.924 -4.546 1.00 0.00 H new ATOM 0 HB ILE A 45 -26.010 2.977 -6.118 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -28.224 4.507 -7.542 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -27.087 5.240 -6.428 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -26.747 1.991 -8.254 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -27.209 0.986 -6.860 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -28.428 1.999 -7.670 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -26.404 5.613 -8.748 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -25.210 4.602 -7.902 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -26.364 3.857 -9.033 1.00 0.00 H new ATOM 638 N LYS A 46 -30.028 1.955 -5.734 1.00 0.00 N ATOM 639 CA LYS A 46 -31.432 1.896 -6.092 1.00 0.00 C ATOM 640 C LYS A 46 -32.301 2.469 -4.970 1.00 0.00 C ATOM 641 O LYS A 46 -33.267 3.187 -5.222 1.00 0.00 O ATOM 642 CB LYS A 46 -31.863 0.460 -6.388 1.00 0.00 C ATOM 643 CG LYS A 46 -33.294 0.343 -6.898 1.00 0.00 C ATOM 644 CD LYS A 46 -33.660 -1.098 -7.217 1.00 0.00 C ATOM 645 CE LYS A 46 -33.758 -1.932 -5.952 1.00 0.00 C ATOM 646 NZ LYS A 46 -34.154 -3.331 -6.238 1.00 0.00 N ATOM 0 H LYS A 46 -29.568 1.047 -5.673 1.00 0.00 H new ATOM 0 HA LYS A 46 -31.567 2.496 -6.992 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -31.187 0.032 -7.128 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -31.760 -0.135 -5.481 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -33.981 0.736 -6.148 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -33.413 0.955 -7.792 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -34.611 -1.125 -7.748 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -32.911 -1.528 -7.882 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -32.797 -1.925 -5.438 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -34.484 -1.481 -5.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -34.209 -3.865 -5.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -35.083 -3.340 -6.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -33.448 -3.771 -6.862 1.00 0.00 H new ATOM 660 N PHE A 47 -31.936 2.164 -3.729 1.00 0.00 N ATOM 661 CA PHE A 47 -32.726 2.586 -2.580 1.00 0.00 C ATOM 662 C PHE A 47 -32.355 3.999 -2.111 1.00 0.00 C ATOM 663 O PHE A 47 -33.049 4.585 -1.287 1.00 0.00 O ATOM 664 CB PHE A 47 -32.554 1.591 -1.424 1.00 0.00 C ATOM 665 CG PHE A 47 -33.736 1.553 -0.480 1.00 0.00 C ATOM 666 CD1 PHE A 47 -34.782 0.669 -0.701 1.00 0.00 C ATOM 667 CD2 PHE A 47 -33.804 2.399 0.617 1.00 0.00 C ATOM 668 CE1 PHE A 47 -35.867 0.630 0.154 1.00 0.00 C ATOM 669 CE2 PHE A 47 -34.885 2.363 1.473 1.00 0.00 C ATOM 670 CZ PHE A 47 -35.918 1.479 1.242 1.00 0.00 C ATOM 0 H PHE A 47 -31.101 1.628 -3.495 1.00 0.00 H new ATOM 0 HA PHE A 47 -33.769 2.606 -2.895 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -32.394 0.594 -1.834 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -31.658 1.851 -0.861 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -34.748 0.004 -1.551 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -33.000 3.095 0.803 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -36.674 -0.064 -0.029 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -34.922 3.027 2.324 1.00 0.00 H new ATOM 0 HZ PHE A 47 -36.765 1.451 1.911 1.00 0.00 H new ATOM 680 N GLY A 48 -31.281 4.545 -2.648 1.00 0.00 N ATOM 681 CA GLY A 48 -30.848 5.866 -2.223 1.00 0.00 C ATOM 682 C GLY A 48 -30.040 5.807 -0.960 1.00 0.00 C ATOM 683 O GLY A 48 -29.962 6.783 -0.211 1.00 0.00 O ATOM 0 H GLY A 48 -30.702 4.107 -3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -30.255 6.326 -3.013 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -31.720 6.502 -2.068 1.00 0.00 H new ATOM 687 N HIS A 49 -29.463 4.648 -0.705 1.00 0.00 N ATOM 688 CA HIS A 49 -28.598 4.468 0.439 1.00 0.00 C ATOM 689 C HIS A 49 -27.348 5.293 0.235 1.00 0.00 C ATOM 690 O HIS A 49 -26.872 5.421 -0.900 1.00 0.00 O ATOM 691 CB HIS A 49 -28.231 2.993 0.617 1.00 0.00 C ATOM 692 CG HIS A 49 -29.375 2.122 1.030 1.00 0.00 C ATOM 693 ND1 HIS A 49 -29.392 0.760 0.825 1.00 0.00 N ATOM 694 CD2 HIS A 49 -30.532 2.416 1.667 1.00 0.00 C ATOM 695 CE1 HIS A 49 -30.507 0.253 1.316 1.00 0.00 C ATOM 696 NE2 HIS A 49 -31.218 1.234 1.837 1.00 0.00 N ATOM 0 H HIS A 49 -29.581 3.814 -1.280 1.00 0.00 H new ATOM 0 HA HIS A 49 -29.119 4.794 1.339 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -27.822 2.616 -0.321 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -27.441 2.914 1.364 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -30.857 3.396 1.983 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -30.790 -0.789 1.295 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -32.126 1.134 2.291 1.00 0.00 H new ATOM 704 N GLU A 50 -26.837 5.884 1.298 1.00 0.00 N ATOM 705 CA GLU A 50 -25.640 6.685 1.184 1.00 0.00 C ATOM 706 C GLU A 50 -24.490 5.845 0.672 1.00 0.00 C ATOM 707 O GLU A 50 -24.284 4.709 1.117 1.00 0.00 O ATOM 708 CB GLU A 50 -25.257 7.324 2.509 1.00 0.00 C ATOM 709 CG GLU A 50 -24.014 8.212 2.393 1.00 0.00 C ATOM 710 CD GLU A 50 -23.468 8.691 3.719 1.00 0.00 C ATOM 711 OE1 GLU A 50 -22.309 8.345 4.036 1.00 0.00 O ATOM 712 OE2 GLU A 50 -24.172 9.426 4.435 1.00 0.00 O ATOM 0 H GLU A 50 -27.228 5.824 2.238 1.00 0.00 H new ATOM 0 HA GLU A 50 -25.853 7.484 0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -26.092 7.920 2.877 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -25.074 6.542 3.246 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -23.234 7.659 1.870 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -24.257 9.079 1.778 1.00 0.00 H new ATOM 719 N VAL A 51 -23.737 6.407 -0.230 1.00 0.00 N ATOM 720 CA VAL A 51 -22.623 5.726 -0.812 1.00 0.00 C ATOM 721 C VAL A 51 -21.327 6.398 -0.386 1.00 0.00 C ATOM 722 O VAL A 51 -21.207 7.626 -0.415 1.00 0.00 O ATOM 723 CB VAL A 51 -22.736 5.695 -2.366 1.00 0.00 C ATOM 724 CG1 VAL A 51 -22.926 7.099 -2.935 1.00 0.00 C ATOM 725 CG2 VAL A 51 -21.520 5.026 -2.990 1.00 0.00 C ATOM 0 H VAL A 51 -23.881 7.354 -0.582 1.00 0.00 H new ATOM 0 HA VAL A 51 -22.623 4.696 -0.457 1.00 0.00 H new ATOM 0 HB VAL A 51 -23.617 5.105 -2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -23.001 7.044 -4.021 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -23.839 7.536 -2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -22.074 7.721 -2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -21.626 5.018 -4.075 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -20.621 5.578 -2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -21.441 4.002 -2.626 1.00 0.00 H new ATOM 735 N ARG A 52 -20.388 5.606 0.066 1.00 0.00 N ATOM 736 CA ARG A 52 -19.110 6.125 0.470 1.00 0.00 C ATOM 737 C ARG A 52 -18.027 5.473 -0.360 1.00 0.00 C ATOM 738 O ARG A 52 -17.810 4.267 -0.269 1.00 0.00 O ATOM 739 CB ARG A 52 -18.864 5.830 1.943 1.00 0.00 C ATOM 740 CG ARG A 52 -17.934 6.812 2.639 1.00 0.00 C ATOM 741 CD ARG A 52 -18.638 8.137 2.925 1.00 0.00 C ATOM 742 NE ARG A 52 -18.604 9.071 1.790 1.00 0.00 N ATOM 743 CZ ARG A 52 -19.673 9.753 1.335 1.00 0.00 C ATOM 744 NH1 ARG A 52 -20.893 9.436 1.741 1.00 0.00 N ATOM 745 NH2 ARG A 52 -19.521 10.708 0.426 1.00 0.00 N ATOM 0 H ARG A 52 -20.487 4.595 0.163 1.00 0.00 H new ATOM 0 HA ARG A 52 -19.098 7.204 0.319 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -19.821 5.825 2.464 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -18.446 4.827 2.034 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -17.577 6.378 3.573 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -17.058 6.991 2.016 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -19.676 7.939 3.192 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -18.171 8.609 3.789 1.00 0.00 H new ATOM 0 HE ARG A 52 -17.712 9.212 1.316 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -21.028 8.671 2.402 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -21.698 9.957 1.392 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -18.591 10.929 0.069 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -20.334 11.221 0.085 1.00 0.00 H new ATOM 759 N ILE A 53 -17.362 6.247 -1.172 1.00 0.00 N ATOM 760 CA ILE A 53 -16.301 5.726 -1.986 1.00 0.00 C ATOM 761 C ILE A 53 -14.983 6.230 -1.463 1.00 0.00 C ATOM 762 O ILE A 53 -14.693 7.423 -1.535 1.00 0.00 O ATOM 763 CB ILE A 53 -16.460 6.150 -3.472 1.00 0.00 C ATOM 764 CG1 ILE A 53 -17.821 5.691 -4.030 1.00 0.00 C ATOM 765 CG2 ILE A 53 -15.319 5.597 -4.319 1.00 0.00 C ATOM 766 CD1 ILE A 53 -18.023 4.185 -4.006 1.00 0.00 C ATOM 0 H ILE A 53 -17.538 7.245 -1.287 1.00 0.00 H new ATOM 0 HA ILE A 53 -16.339 4.638 -1.939 1.00 0.00 H new ATOM 0 HB ILE A 53 -16.422 7.238 -3.517 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -18.616 6.163 -3.453 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -17.919 6.044 -5.057 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -15.452 5.907 -5.356 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -14.369 5.980 -3.945 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.319 4.508 -4.263 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -19.004 3.943 -4.415 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -17.251 3.705 -4.607 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -17.959 3.826 -2.979 1.00 0.00 H new ATOM 778 N THR A 54 -14.195 5.344 -0.916 1.00 0.00 N ATOM 779 CA THR A 54 -12.915 5.721 -0.426 1.00 0.00 C ATOM 780 C THR A 54 -11.829 4.982 -1.191 1.00 0.00 C ATOM 781 O THR A 54 -11.493 3.830 -0.886 1.00 0.00 O ATOM 782 CB THR A 54 -12.787 5.448 1.089 1.00 0.00 C ATOM 783 OG1 THR A 54 -13.849 6.121 1.782 1.00 0.00 O ATOM 784 CG2 THR A 54 -11.449 5.946 1.623 1.00 0.00 C ATOM 0 H THR A 54 -14.425 4.357 -0.803 1.00 0.00 H new ATOM 0 HA THR A 54 -12.796 6.794 -0.579 1.00 0.00 H new ATOM 0 HB THR A 54 -12.848 4.372 1.252 1.00 0.00 H new ATOM 0 HG1 THR A 54 -13.773 5.949 2.744 1.00 0.00 H new ATOM 0 HG21 THR A 54 -11.385 5.741 2.692 1.00 0.00 H new ATOM 0 HG22 THR A 54 -10.638 5.434 1.106 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.366 7.020 1.454 1.00 0.00 H new ATOM 792 N VAL A 55 -11.307 5.643 -2.202 1.00 0.00 N ATOM 793 CA VAL A 55 -10.238 5.092 -3.017 1.00 0.00 C ATOM 794 C VAL A 55 -9.035 6.049 -3.066 1.00 0.00 C ATOM 795 O VAL A 55 -8.914 6.870 -3.968 1.00 0.00 O ATOM 796 CB VAL A 55 -10.723 4.753 -4.462 1.00 0.00 C ATOM 797 CG1 VAL A 55 -11.643 3.543 -4.441 1.00 0.00 C ATOM 798 CG2 VAL A 55 -11.448 5.945 -5.096 1.00 0.00 C ATOM 0 H VAL A 55 -11.609 6.576 -2.484 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.924 4.160 -2.546 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.843 4.525 -5.064 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -11.973 3.319 -5.455 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -11.106 2.685 -4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.510 3.756 -3.816 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.774 5.680 -6.102 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -12.316 6.207 -4.490 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.771 6.797 -5.148 1.00 0.00 H new ATOM 808 N PRO A 56 -8.147 5.974 -2.066 1.00 0.00 N ATOM 809 CA PRO A 56 -6.976 6.844 -1.999 1.00 0.00 C ATOM 810 C PRO A 56 -5.892 6.447 -2.999 1.00 0.00 C ATOM 811 O PRO A 56 -5.672 5.258 -3.259 1.00 0.00 O ATOM 812 CB PRO A 56 -6.489 6.649 -0.562 1.00 0.00 C ATOM 813 CG PRO A 56 -6.880 5.255 -0.234 1.00 0.00 C ATOM 814 CD PRO A 56 -8.193 5.025 -0.931 1.00 0.00 C ATOM 0 HA PRO A 56 -7.214 7.878 -2.250 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.411 6.790 -0.484 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.954 7.364 0.117 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.126 4.546 -0.576 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.980 5.120 0.843 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.292 3.995 -1.272 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -9.038 5.226 -0.273 1.00 0.00 H new ATOM 822 N GLY A 57 -5.229 7.444 -3.554 1.00 0.00 N ATOM 823 CA GLY A 57 -4.133 7.201 -4.471 1.00 0.00 C ATOM 824 C GLY A 57 -2.834 7.585 -3.824 1.00 0.00 C ATOM 825 O GLY A 57 -1.756 7.118 -4.200 1.00 0.00 O ATOM 0 H GLY A 57 -5.431 8.430 -3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.111 6.149 -4.755 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.278 7.776 -5.386 1.00 0.00 H new ATOM 829 N ASN A 58 -2.952 8.446 -2.835 1.00 0.00 N ATOM 830 CA ASN A 58 -1.837 8.878 -2.033 1.00 0.00 C ATOM 831 C ASN A 58 -1.662 7.911 -0.879 1.00 0.00 C ATOM 832 O ASN A 58 -2.216 6.808 -0.898 1.00 0.00 O ATOM 833 CB ASN A 58 -2.092 10.300 -1.505 1.00 0.00 C ATOM 834 CG ASN A 58 -1.926 11.362 -2.574 1.00 0.00 C ATOM 835 OD1 ASN A 58 -2.847 11.646 -3.339 1.00 0.00 O ATOM 836 ND2 ASN A 58 -0.760 11.978 -2.617 1.00 0.00 N ATOM 0 H ASN A 58 -3.840 8.869 -2.565 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.929 8.893 -2.636 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.101 10.356 -1.098 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.405 10.507 -0.684 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.599 12.717 -3.301 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.020 11.715 -1.966 1.00 0.00 H new ATOM 843 N ASP A 59 -0.904 8.305 0.116 1.00 0.00 N ATOM 844 CA ASP A 59 -0.697 7.456 1.274 1.00 0.00 C ATOM 845 C ASP A 59 -1.993 7.392 2.076 1.00 0.00 C ATOM 846 O ASP A 59 -2.360 8.348 2.756 1.00 0.00 O ATOM 847 CB ASP A 59 0.459 7.989 2.134 1.00 0.00 C ATOM 848 CG ASP A 59 1.784 7.995 1.383 1.00 0.00 C ATOM 849 OD1 ASP A 59 2.561 7.027 1.515 1.00 0.00 O ATOM 850 OD2 ASP A 59 2.045 8.969 0.635 1.00 0.00 O ATOM 0 H ASP A 59 -0.421 9.203 0.152 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.426 6.451 0.950 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.226 9.002 2.464 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.555 7.376 3.030 1.00 0.00 H new ATOM 855 N GLY A 60 -2.680 6.261 1.977 1.00 0.00 N ATOM 856 CA GLY A 60 -3.988 6.098 2.599 1.00 0.00 C ATOM 857 C GLY A 60 -3.923 6.107 4.094 1.00 0.00 C ATOM 858 O GLY A 60 -4.828 6.595 4.766 1.00 0.00 O ATOM 0 H GLY A 60 -2.351 5.440 1.469 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.647 6.899 2.263 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.430 5.160 2.264 1.00 0.00 H new ATOM 862 N SER A 61 -2.856 5.561 4.617 1.00 0.00 N ATOM 863 CA SER A 61 -2.641 5.518 6.040 1.00 0.00 C ATOM 864 C SER A 61 -2.152 6.879 6.543 1.00 0.00 C ATOM 865 O SER A 61 -1.983 7.080 7.746 1.00 0.00 O ATOM 866 CB SER A 61 -1.612 4.434 6.366 1.00 0.00 C ATOM 867 OG SER A 61 -2.020 3.173 5.844 1.00 0.00 O ATOM 0 H SER A 61 -2.111 5.133 4.068 1.00 0.00 H new ATOM 0 HA SER A 61 -3.581 5.283 6.539 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.643 4.709 5.948 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.484 4.361 7.446 1.00 0.00 H new ATOM 0 HG SER A 61 -1.937 3.181 4.868 1.00 0.00 H new ATOM 873 N GLU A 62 -1.915 7.806 5.588 1.00 0.00 N ATOM 874 CA GLU A 62 -1.400 9.166 5.852 1.00 0.00 C ATOM 875 C GLU A 62 0.070 9.127 6.262 1.00 0.00 C ATOM 876 O GLU A 62 0.841 10.035 5.954 1.00 0.00 O ATOM 877 CB GLU A 62 -2.226 9.897 6.923 1.00 0.00 C ATOM 878 CG GLU A 62 -1.783 11.339 7.153 1.00 0.00 C ATOM 879 CD GLU A 62 -2.533 12.013 8.274 1.00 0.00 C ATOM 880 OE1 GLU A 62 -2.139 11.846 9.441 1.00 0.00 O ATOM 881 OE2 GLU A 62 -3.525 12.715 7.995 1.00 0.00 O ATOM 0 H GLU A 62 -2.079 7.626 4.597 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.492 9.723 4.920 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.276 9.890 6.629 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.155 9.349 7.863 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.716 11.355 7.376 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.925 11.908 6.234 1.00 0.00 H new ATOM 888 N THR A 63 0.453 8.063 6.923 1.00 0.00 N ATOM 889 CA THR A 63 1.795 7.914 7.405 1.00 0.00 C ATOM 890 C THR A 63 2.667 7.277 6.342 1.00 0.00 C ATOM 891 O THR A 63 2.355 6.196 5.836 1.00 0.00 O ATOM 892 CB THR A 63 1.828 7.035 8.673 1.00 0.00 C ATOM 893 OG1 THR A 63 0.888 7.541 9.630 1.00 0.00 O ATOM 894 CG2 THR A 63 3.222 7.027 9.293 1.00 0.00 C ATOM 0 H THR A 63 -0.161 7.278 7.140 1.00 0.00 H new ATOM 0 HA THR A 63 2.175 8.907 7.647 1.00 0.00 H new ATOM 0 HB THR A 63 1.565 6.015 8.393 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.907 6.982 10.435 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.220 6.401 10.185 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.938 6.631 8.573 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.505 8.044 9.564 1.00 0.00 H new ATOM 902 N ASN A 64 3.740 7.948 5.990 1.00 0.00 N ATOM 903 CA ASN A 64 4.669 7.407 5.034 1.00 0.00 C ATOM 904 C ASN A 64 5.610 6.447 5.741 1.00 0.00 C ATOM 905 O ASN A 64 6.215 6.783 6.764 1.00 0.00 O ATOM 906 CB ASN A 64 5.449 8.518 4.293 1.00 0.00 C ATOM 907 CG ASN A 64 6.309 9.392 5.199 1.00 0.00 C ATOM 908 OD1 ASN A 64 5.999 9.606 6.367 1.00 0.00 O ATOM 909 ND2 ASN A 64 7.393 9.905 4.657 1.00 0.00 N ATOM 0 H ASN A 64 3.988 8.868 6.353 1.00 0.00 H new ATOM 0 HA ASN A 64 4.109 6.865 4.272 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.088 8.057 3.540 1.00 0.00 H new ATOM 0 HB3 ASN A 64 4.739 9.153 3.763 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.007 10.502 5.211 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.619 9.705 3.683 1.00 0.00 H new ATOM 916 N LEU A 65 5.719 5.252 5.215 1.00 0.00 N ATOM 917 CA LEU A 65 6.531 4.231 5.835 1.00 0.00 C ATOM 918 C LEU A 65 7.966 4.314 5.336 1.00 0.00 C ATOM 919 O LEU A 65 8.856 3.648 5.859 1.00 0.00 O ATOM 920 CB LEU A 65 5.940 2.850 5.538 1.00 0.00 C ATOM 921 CG LEU A 65 4.486 2.642 5.991 1.00 0.00 C ATOM 922 CD1 LEU A 65 3.994 1.257 5.606 1.00 0.00 C ATOM 923 CD2 LEU A 65 4.349 2.858 7.491 1.00 0.00 C ATOM 0 H LEU A 65 5.254 4.960 4.355 1.00 0.00 H new ATOM 0 HA LEU A 65 6.537 4.390 6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.997 2.673 4.464 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.563 2.096 6.019 1.00 0.00 H new ATOM 0 HG LEU A 65 3.867 3.380 5.482 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.963 1.132 5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.045 1.141 4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.621 0.503 6.081 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.311 2.705 7.787 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.986 2.149 8.020 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.652 3.875 7.741 1.00 0.00 H new ATOM 935 N GLY A 66 8.187 5.154 4.334 1.00 0.00 N ATOM 936 CA GLY A 66 9.511 5.296 3.768 1.00 0.00 C ATOM 937 C GLY A 66 9.822 4.168 2.818 1.00 0.00 C ATOM 938 O GLY A 66 10.981 3.821 2.601 1.00 0.00 O ATOM 0 H GLY A 66 7.471 5.740 3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.584 6.248 3.242 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.251 5.316 4.568 1.00 0.00 H new ATOM 942 N VAL A 67 8.775 3.583 2.271 1.00 0.00 N ATOM 943 CA VAL A 67 8.909 2.474 1.348 1.00 0.00 C ATOM 944 C VAL A 67 9.039 2.955 -0.083 1.00 0.00 C ATOM 945 O VAL A 67 8.425 3.953 -0.479 1.00 0.00 O ATOM 946 CB VAL A 67 7.718 1.490 1.445 1.00 0.00 C ATOM 947 CG1 VAL A 67 7.775 0.718 2.750 1.00 0.00 C ATOM 948 CG2 VAL A 67 6.390 2.231 1.325 1.00 0.00 C ATOM 0 H VAL A 67 7.811 3.862 2.453 1.00 0.00 H new ATOM 0 HA VAL A 67 9.820 1.949 1.635 1.00 0.00 H new ATOM 0 HB VAL A 67 7.791 0.785 0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.931 0.030 2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.706 0.154 2.799 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.729 1.415 3.587 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.568 1.519 1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.307 2.962 2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 67 6.344 2.743 0.364 1.00 0.00 H new ATOM 958 N ILE A 68 9.851 2.262 -0.852 1.00 0.00 N ATOM 959 CA ILE A 68 10.017 2.584 -2.247 1.00 0.00 C ATOM 960 C ILE A 68 8.933 1.885 -3.071 1.00 0.00 C ATOM 961 O ILE A 68 8.955 0.666 -3.263 1.00 0.00 O ATOM 962 CB ILE A 68 11.447 2.209 -2.763 1.00 0.00 C ATOM 963 CG1 ILE A 68 11.581 2.477 -4.272 1.00 0.00 C ATOM 964 CG2 ILE A 68 11.807 0.766 -2.429 1.00 0.00 C ATOM 965 CD1 ILE A 68 11.426 3.934 -4.655 1.00 0.00 C ATOM 0 H ILE A 68 10.407 1.470 -0.530 1.00 0.00 H new ATOM 0 HA ILE A 68 9.912 3.663 -2.364 1.00 0.00 H new ATOM 0 HB ILE A 68 12.158 2.851 -2.242 1.00 0.00 H new ATOM 0 HG12 ILE A 68 12.557 2.126 -4.608 1.00 0.00 H new ATOM 0 HG13 ILE A 68 10.831 1.891 -4.803 1.00 0.00 H new ATOM 0 HG21 ILE A 68 12.806 0.544 -2.804 1.00 0.00 H new ATOM 0 HG22 ILE A 68 11.785 0.626 -1.348 1.00 0.00 H new ATOM 0 HG23 ILE A 68 11.087 0.094 -2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 68 11.534 4.040 -5.735 1.00 0.00 H new ATOM 0 HD12 ILE A 68 10.440 4.287 -4.352 1.00 0.00 H new ATOM 0 HD13 ILE A 68 12.193 4.525 -4.154 1.00 0.00 H new ATOM 977 N THR A 69 7.971 2.653 -3.523 1.00 0.00 N ATOM 978 CA THR A 69 6.891 2.106 -4.302 1.00 0.00 C ATOM 979 C THR A 69 7.168 2.271 -5.794 1.00 0.00 C ATOM 980 O THR A 69 6.750 3.250 -6.427 1.00 0.00 O ATOM 981 CB THR A 69 5.541 2.761 -3.929 1.00 0.00 C ATOM 982 OG1 THR A 69 5.328 2.658 -2.505 1.00 0.00 O ATOM 983 CG2 THR A 69 4.386 2.084 -4.658 1.00 0.00 C ATOM 0 H THR A 69 7.916 3.659 -3.364 1.00 0.00 H new ATOM 0 HA THR A 69 6.823 1.042 -4.074 1.00 0.00 H new ATOM 0 HB THR A 69 5.577 3.809 -4.227 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.473 3.075 -2.271 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.448 2.564 -4.378 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.532 2.174 -5.734 1.00 0.00 H new ATOM 0 HG23 THR A 69 4.351 1.030 -4.384 1.00 0.00 H new ATOM 991 N ASN A 70 7.920 1.334 -6.335 1.00 0.00 N ATOM 992 CA ASN A 70 8.240 1.330 -7.746 1.00 0.00 C ATOM 993 C ASN A 70 7.403 0.287 -8.462 1.00 0.00 C ATOM 994 O ASN A 70 7.845 -0.875 -8.559 1.00 0.00 O ATOM 995 CB ASN A 70 9.733 1.069 -7.972 1.00 0.00 C ATOM 996 CG ASN A 70 10.120 1.138 -9.440 1.00 0.00 C ATOM 997 OD1 ASN A 70 9.503 1.862 -10.228 1.00 0.00 O ATOM 998 ND2 ASN A 70 11.141 0.395 -9.815 1.00 0.00 N ATOM 0 H ASN A 70 8.324 0.558 -5.811 1.00 0.00 H new ATOM 0 HA ASN A 70 8.008 2.313 -8.155 1.00 0.00 H new ATOM 0 HB2 ASN A 70 10.315 1.800 -7.411 1.00 0.00 H new ATOM 0 HB3 ASN A 70 9.991 0.086 -7.577 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.448 0.404 -10.788 1.00 0.00 H new ATOM 0 HD22 ASN A 70 11.624 -0.190 -9.133 1.00 0.00 H new TER 1005 ASN A 70