USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 829 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 71 TYR OH : rot 130:sc= -0.589 USER MOD Set 1.2: A 77 MET CE :methyl 152:sc= -0.0962 (180deg=-0.876) USER MOD Set 2.1: A 1 MET CE :methyl 158:sc= -0.119 (180deg=-0.628) USER MOD Set 2.2: A 38 LYS NZ :NH3+ -165:sc= -2.04 (180deg=-2.48!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.851 K(o=-0.85,f=-3.6!) USER MOD Single : A 11 ASN :FLIP amide:sc= -0.659 F(o=-2.3!,f=-0.66) USER MOD Single : A 15 GLN : amide:sc= -0.409 X(o=-0.41,f=-0.14) USER MOD Single : A 20 LYS NZ :NH3+ -138:sc= -5.76! (180deg=-7.51!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 24 SER OG : rot -95:sc= 0.223 USER MOD Single : A 29 THR OG1 : rot 180:sc= -1.3 USER MOD Single : A 31 SER OG : rot 39:sc= 1.25 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -117:sc= 0.0583 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.186 K(o=-0.19,f=-2.1!) USER MOD Single : A 46 ASN : amide:sc= -0.316 K(o=-0.32,f=-8.6!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 54 THR OG1 : rot 49:sc= 1.25 USER MOD Single : A 57 GLN : amide:sc= -0.0985 K(o=-0.099,f=-0.87) USER MOD Single : A 61 LYS NZ :NH3+ -160:sc= 0.0448 (180deg=0.000716) USER MOD Single : A 67 TYR OH : rot -110:sc= -1.1 USER MOD Single : A 69 LYS NZ :NH3+ 139:sc= 1.67 (180deg=0.429) USER MOD Single : A 72 ASN : amide:sc= 0.0949 X(o=0.095,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.237 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 171:sc= 0.83 (180deg=0.549) USER MOD Single : A 89 ASN :FLIP amide:sc= -1.56 F(o=-2.1,f=-1.6) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.802 -11.491 -9.702 1.00 0.00 N ATOM 2 CA MET A 1 -11.280 -11.255 -8.366 1.00 0.00 C ATOM 3 C MET A 1 -12.394 -11.336 -7.320 1.00 0.00 C ATOM 4 O MET A 1 -13.469 -10.769 -7.509 1.00 0.00 O ATOM 5 CB MET A 1 -10.626 -9.874 -8.309 1.00 0.00 C ATOM 6 CG MET A 1 -9.383 -9.892 -7.417 1.00 0.00 C ATOM 7 SD MET A 1 -8.171 -11.022 -8.081 1.00 0.00 S ATOM 8 CE MET A 1 -7.661 -10.112 -9.530 1.00 0.00 C ATOM 0 H1 MET A 1 -11.027 -11.431 -10.393 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.231 -12.437 -9.745 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.522 -10.774 -9.925 1.00 0.00 H new ATOM 0 HA MET A 1 -10.542 -12.025 -8.144 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.352 -9.556 -9.315 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.341 -9.145 -7.928 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.959 -8.890 -7.349 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.656 -10.192 -6.405 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.673 -10.450 -9.843 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.375 -10.281 -10.336 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.623 -9.048 -9.297 1.00 0.00 H new ATOM 18 N ASP A 2 -12.100 -12.046 -6.242 1.00 0.00 N ATOM 19 CA ASP A 2 -13.063 -12.207 -5.166 1.00 0.00 C ATOM 20 C ASP A 2 -12.401 -11.841 -3.835 1.00 0.00 C ATOM 21 O ASP A 2 -11.422 -12.466 -3.432 1.00 0.00 O ATOM 22 CB ASP A 2 -13.545 -13.657 -5.071 1.00 0.00 C ATOM 23 CG ASP A 2 -13.132 -14.553 -6.241 1.00 0.00 C ATOM 24 OD1 ASP A 2 -13.639 -14.410 -7.364 1.00 0.00 O ATOM 25 OD2 ASP A 2 -12.239 -15.440 -5.960 1.00 0.00 O ATOM 0 H ASP A 2 -11.208 -12.517 -6.090 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.913 -11.557 -5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.163 -14.092 -4.147 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -14.633 -13.659 -4.998 1.00 0.00 H new ATOM 31 N ILE A 3 -12.964 -10.830 -3.190 1.00 0.00 N ATOM 32 CA ILE A 3 -12.443 -10.374 -1.914 1.00 0.00 C ATOM 33 C ILE A 3 -13.496 -10.594 -0.827 1.00 0.00 C ATOM 34 O ILE A 3 -14.685 -10.378 -1.058 1.00 0.00 O ATOM 35 CB ILE A 3 -11.962 -8.925 -2.019 1.00 0.00 C ATOM 36 CG1 ILE A 3 -10.486 -8.864 -2.418 1.00 0.00 C ATOM 37 CG2 ILE A 3 -12.236 -8.161 -0.722 1.00 0.00 C ATOM 38 CD1 ILE A 3 -10.043 -7.420 -2.660 1.00 0.00 C ATOM 0 H ILE A 3 -13.776 -10.314 -3.528 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.567 -10.958 -1.631 1.00 0.00 H new ATOM 0 HB ILE A 3 -12.530 -8.434 -2.809 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.875 -9.309 -1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -10.325 -9.454 -3.320 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.885 -7.134 -0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -13.307 -8.160 -0.520 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.712 -8.644 0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.990 -7.405 -2.942 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -10.640 -6.986 -3.462 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.183 -6.839 -1.748 1.00 0.00 H new ATOM 50 N SER A 4 -13.023 -11.023 0.334 1.00 0.00 N ATOM 51 CA SER A 4 -13.911 -11.275 1.457 1.00 0.00 C ATOM 52 C SER A 4 -13.575 -10.329 2.612 1.00 0.00 C ATOM 53 O SER A 4 -12.432 -10.277 3.063 1.00 0.00 O ATOM 54 CB SER A 4 -13.816 -12.731 1.917 1.00 0.00 C ATOM 55 OG SER A 4 -15.088 -13.373 1.922 1.00 0.00 O ATOM 0 H SER A 4 -12.037 -11.203 0.522 1.00 0.00 H new ATOM 0 HA SER A 4 -14.935 -11.091 1.132 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.138 -13.275 1.260 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.387 -12.768 2.919 1.00 0.00 H new ATOM 0 HG SER A 4 -14.985 -14.301 2.220 1.00 0.00 H new ATOM 61 N ILE A 5 -14.591 -9.606 3.058 1.00 0.00 N ATOM 62 CA ILE A 5 -14.418 -8.667 4.152 1.00 0.00 C ATOM 63 C ILE A 5 -14.571 -9.405 5.483 1.00 0.00 C ATOM 64 O ILE A 5 -15.545 -10.128 5.688 1.00 0.00 O ATOM 65 CB ILE A 5 -15.371 -7.479 3.995 1.00 0.00 C ATOM 66 CG1 ILE A 5 -15.205 -6.821 2.624 1.00 0.00 C ATOM 67 CG2 ILE A 5 -15.192 -6.478 5.137 1.00 0.00 C ATOM 68 CD1 ILE A 5 -13.898 -6.029 2.551 1.00 0.00 C ATOM 0 H ILE A 5 -15.538 -9.652 2.681 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.413 -8.245 4.135 1.00 0.00 H new ATOM 0 HB ILE A 5 -16.394 -7.851 4.051 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -15.216 -7.585 1.846 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -16.048 -6.157 2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -15.881 -5.644 5.001 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -15.400 -6.969 6.087 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -14.167 -6.106 5.138 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -13.804 -5.571 1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -13.901 -5.251 3.314 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.056 -6.700 2.721 1.00 0.00 H new ATOM 80 N ILE A 6 -13.593 -9.200 6.354 1.00 0.00 N ATOM 81 CA ILE A 6 -13.607 -9.838 7.659 1.00 0.00 C ATOM 82 C ILE A 6 -14.232 -8.886 8.681 1.00 0.00 C ATOM 83 O ILE A 6 -15.251 -9.205 9.291 1.00 0.00 O ATOM 84 CB ILE A 6 -12.202 -10.310 8.038 1.00 0.00 C ATOM 85 CG1 ILE A 6 -11.576 -11.130 6.908 1.00 0.00 C ATOM 86 CG2 ILE A 6 -12.221 -11.079 9.361 1.00 0.00 C ATOM 87 CD1 ILE A 6 -12.158 -12.545 6.869 1.00 0.00 C ATOM 0 H ILE A 6 -12.786 -8.601 6.181 1.00 0.00 H new ATOM 0 HA ILE A 6 -14.226 -10.735 7.638 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.574 -9.431 8.185 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -11.752 -10.634 5.953 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.496 -11.181 7.046 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.210 -11.404 9.608 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -12.598 -10.432 10.153 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -12.869 -11.950 9.266 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.696 -13.106 6.057 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -11.959 -13.047 7.816 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -13.234 -12.491 6.706 1.00 0.00 H new ATOM 99 N SER A 7 -13.594 -7.734 8.836 1.00 0.00 N ATOM 100 CA SER A 7 -14.075 -6.733 9.773 1.00 0.00 C ATOM 101 C SER A 7 -13.998 -5.342 9.140 1.00 0.00 C ATOM 102 O SER A 7 -13.244 -5.130 8.191 1.00 0.00 O ATOM 103 CB SER A 7 -13.273 -6.768 11.076 1.00 0.00 C ATOM 104 OG SER A 7 -12.866 -8.091 11.417 1.00 0.00 O ATOM 0 H SER A 7 -12.749 -7.472 8.329 1.00 0.00 H new ATOM 0 HA SER A 7 -15.114 -6.959 10.011 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.393 -6.132 10.977 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.876 -6.355 11.884 1.00 0.00 H new ATOM 0 HG SER A 7 -12.356 -8.071 12.253 1.00 0.00 H new ATOM 110 N ASP A 8 -14.789 -4.432 9.688 1.00 0.00 N ATOM 111 CA ASP A 8 -14.819 -3.069 9.188 1.00 0.00 C ATOM 112 C ASP A 8 -14.718 -2.096 10.365 1.00 0.00 C ATOM 113 O ASP A 8 -15.735 -1.660 10.904 1.00 0.00 O ATOM 114 CB ASP A 8 -16.128 -2.782 8.450 1.00 0.00 C ATOM 115 CG ASP A 8 -17.391 -2.875 9.310 1.00 0.00 C ATOM 116 OD1 ASP A 8 -17.880 -3.975 9.608 1.00 0.00 O ATOM 117 OD2 ASP A 8 -17.881 -1.742 9.684 1.00 0.00 O ATOM 0 H ASP A 8 -15.414 -4.612 10.474 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.982 -2.944 8.501 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -16.073 -1.782 8.020 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.220 -3.482 7.620 1.00 0.00 H new ATOM 123 N ARG A 9 -13.483 -1.785 10.730 1.00 0.00 N ATOM 124 CA ARG A 9 -13.235 -0.872 11.833 1.00 0.00 C ATOM 125 C ARG A 9 -13.002 0.546 11.307 1.00 0.00 C ATOM 126 O ARG A 9 -12.626 0.728 10.150 1.00 0.00 O ATOM 127 CB ARG A 9 -12.020 -1.313 12.650 1.00 0.00 C ATOM 128 CG ARG A 9 -12.450 -2.072 13.907 1.00 0.00 C ATOM 129 CD ARG A 9 -11.941 -1.376 15.171 1.00 0.00 C ATOM 130 NE ARG A 9 -11.422 -2.379 16.127 1.00 0.00 N ATOM 131 CZ ARG A 9 -12.196 -3.078 16.983 1.00 0.00 C ATOM 132 NH1 ARG A 9 -13.533 -2.890 17.010 1.00 0.00 N ATOM 133 NH2 ARG A 9 -11.626 -3.950 17.795 1.00 0.00 N ATOM 0 H ARG A 9 -12.643 -2.149 10.281 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.114 -0.883 12.477 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.378 -1.948 12.039 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.431 -0.440 12.932 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.537 -2.142 13.939 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.066 -3.091 13.869 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -11.155 -0.666 14.914 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.747 -0.806 15.632 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.417 -2.553 16.140 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.966 -2.215 16.380 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.110 -3.423 17.661 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.616 -4.087 17.769 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.196 -4.487 18.448 1.00 0.00 H new ATOM 146 N ASN A 10 -13.234 1.513 12.182 1.00 0.00 N ATOM 147 CA ASN A 10 -13.053 2.909 11.820 1.00 0.00 C ATOM 148 C ASN A 10 -12.147 3.585 12.850 1.00 0.00 C ATOM 149 O ASN A 10 -12.284 3.353 14.051 1.00 0.00 O ATOM 150 CB ASN A 10 -14.390 3.652 11.808 1.00 0.00 C ATOM 151 CG ASN A 10 -14.830 4.015 13.228 1.00 0.00 C ATOM 152 OD1 ASN A 10 -14.769 3.214 14.147 1.00 0.00 O ATOM 153 ND2 ASN A 10 -15.275 5.261 13.354 1.00 0.00 N ATOM 0 H ASN A 10 -13.546 1.358 13.141 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.611 2.945 10.824 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.301 4.558 11.209 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.151 3.031 11.336 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -15.593 5.600 14.262 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -15.299 5.879 12.543 1.00 0.00 H new ATOM 160 N ASN A 11 -11.239 4.406 12.344 1.00 0.00 N ATOM 161 CA ASN A 11 -10.309 5.117 13.204 1.00 0.00 C ATOM 162 C ASN A 11 -10.551 6.623 13.074 1.00 0.00 C ATOM 163 O ASN A 11 -9.972 7.275 12.207 1.00 0.00 O ATOM 164 CB ASN A 11 -8.860 4.834 12.804 1.00 0.00 C ATOM 165 CG ASN A 11 -8.333 3.580 13.503 1.00 0.00 C ATOM 166 OD1 ASN A 11 -9.035 2.481 13.243 1.00 0.00 O flip ATOM 167 ND2 ASN A 11 -7.354 3.609 14.230 1.00 0.00 N flip ATOM 0 H ASN A 11 -11.128 4.595 11.348 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.472 4.780 14.228 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.796 4.706 11.723 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.234 5.688 13.062 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.861 4.488 14.387 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -7.028 2.754 14.681 1.00 0.00 H new ATOM 174 N PRO A 12 -11.427 7.145 13.973 1.00 0.00 N ATOM 175 CA PRO A 12 -11.753 8.561 13.967 1.00 0.00 C ATOM 176 C PRO A 12 -10.608 9.389 14.553 1.00 0.00 C ATOM 177 O PRO A 12 -10.242 10.427 14.004 1.00 0.00 O ATOM 178 CB PRO A 12 -13.038 8.673 14.769 1.00 0.00 C ATOM 179 CG PRO A 12 -13.135 7.393 15.583 1.00 0.00 C ATOM 180 CD PRO A 12 -12.133 6.402 15.014 1.00 0.00 C ATOM 0 HA PRO A 12 -11.892 8.956 12.961 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.018 9.548 15.418 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.900 8.784 14.111 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.921 7.591 16.633 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.145 6.985 15.535 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.446 6.048 15.783 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.633 5.524 14.604 1.00 0.00 H new ATOM 188 N LEU A 13 -10.071 8.897 15.661 1.00 0.00 N ATOM 189 CA LEU A 13 -8.974 9.578 16.328 1.00 0.00 C ATOM 190 C LEU A 13 -7.936 10.002 15.288 1.00 0.00 C ATOM 191 O LEU A 13 -7.752 11.193 15.039 1.00 0.00 O ATOM 192 CB LEU A 13 -8.403 8.705 17.448 1.00 0.00 C ATOM 193 CG LEU A 13 -9.354 8.390 18.604 1.00 0.00 C ATOM 194 CD1 LEU A 13 -9.956 6.991 18.454 1.00 0.00 C ATOM 195 CD2 LEU A 13 -8.655 8.572 19.953 1.00 0.00 C ATOM 0 H LEU A 13 -10.376 8.035 16.113 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.328 10.487 16.814 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.068 7.764 17.013 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.521 9.200 17.854 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.180 9.100 18.570 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.628 6.793 19.289 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.512 6.933 17.519 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.157 6.250 18.448 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.353 8.342 20.758 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.798 7.901 20.012 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.316 9.603 20.051 1.00 0.00 H new ATOM 207 N LEU A 14 -7.284 9.006 14.709 1.00 0.00 N ATOM 208 CA LEU A 14 -6.268 9.260 13.702 1.00 0.00 C ATOM 209 C LEU A 14 -6.941 9.741 12.415 1.00 0.00 C ATOM 210 O LEU A 14 -6.277 10.257 11.518 1.00 0.00 O ATOM 211 CB LEU A 14 -5.383 8.028 13.509 1.00 0.00 C ATOM 212 CG LEU A 14 -4.618 7.552 14.746 1.00 0.00 C ATOM 213 CD1 LEU A 14 -4.117 6.117 14.563 1.00 0.00 C ATOM 214 CD2 LEU A 14 -3.481 8.515 15.093 1.00 0.00 C ATOM 0 H LEU A 14 -7.439 8.020 14.918 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.599 10.055 14.030 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.008 7.208 13.155 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.662 8.243 12.720 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.306 7.548 15.591 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.577 5.803 15.456 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.966 5.453 14.401 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.451 6.071 13.701 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.954 8.153 15.976 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.787 8.575 14.255 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.891 9.504 15.296 1.00 0.00 H new ATOM 226 N GLN A 15 -8.252 9.553 12.365 1.00 0.00 N ATOM 227 CA GLN A 15 -9.023 9.961 11.203 1.00 0.00 C ATOM 228 C GLN A 15 -8.760 9.012 10.033 1.00 0.00 C ATOM 229 O GLN A 15 -8.912 9.393 8.873 1.00 0.00 O ATOM 230 CB GLN A 15 -8.708 11.408 10.816 1.00 0.00 C ATOM 231 CG GLN A 15 -9.930 12.306 11.015 1.00 0.00 C ATOM 232 CD GLN A 15 -9.518 13.687 11.530 1.00 0.00 C ATOM 233 OE1 GLN A 15 -9.874 14.716 10.978 1.00 0.00 O ATOM 234 NE2 GLN A 15 -8.748 13.653 12.614 1.00 0.00 N ATOM 0 H GLN A 15 -8.800 9.123 13.111 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.082 9.910 11.457 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.879 11.777 11.419 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.388 11.449 9.775 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.466 12.411 10.072 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.617 11.840 11.722 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.487 12.757 13.026 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.419 14.523 13.033 1.00 0.00 H new ATOM 243 N ARG A 16 -8.371 7.793 10.377 1.00 0.00 N ATOM 244 CA ARG A 16 -8.086 6.786 9.368 1.00 0.00 C ATOM 245 C ARG A 16 -9.179 5.714 9.365 1.00 0.00 C ATOM 246 O ARG A 16 -10.114 5.774 10.162 1.00 0.00 O ATOM 247 CB ARG A 16 -6.731 6.122 9.621 1.00 0.00 C ATOM 248 CG ARG A 16 -5.626 7.169 9.770 1.00 0.00 C ATOM 249 CD ARG A 16 -4.646 7.102 8.596 1.00 0.00 C ATOM 250 NE ARG A 16 -3.985 8.413 8.414 1.00 0.00 N ATOM 251 CZ ARG A 16 -4.635 9.549 8.082 1.00 0.00 C ATOM 252 NH1 ARG A 16 -5.971 9.544 7.895 1.00 0.00 N ATOM 253 NH2 ARG A 16 -3.943 10.666 7.945 1.00 0.00 N ATOM 0 H ARG A 16 -8.246 7.480 11.340 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.058 7.285 8.399 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.784 5.513 10.523 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.492 5.450 8.796 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.068 8.164 9.824 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.090 7.007 10.705 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.898 6.331 8.779 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.175 6.823 7.685 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.975 8.462 8.548 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.498 8.678 8.004 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.454 10.407 7.644 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.933 10.661 8.090 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.418 11.533 7.695 1.00 0.00 H new ATOM 266 N ARG A 17 -9.025 4.762 8.457 1.00 0.00 N ATOM 267 CA ARG A 17 -9.987 3.680 8.339 1.00 0.00 C ATOM 268 C ARG A 17 -9.284 2.326 8.473 1.00 0.00 C ATOM 269 O ARG A 17 -8.287 2.072 7.799 1.00 0.00 O ATOM 270 CB ARG A 17 -10.718 3.736 6.996 1.00 0.00 C ATOM 271 CG ARG A 17 -12.105 3.098 7.099 1.00 0.00 C ATOM 272 CD ARG A 17 -13.199 4.103 6.732 1.00 0.00 C ATOM 273 NE ARG A 17 -14.301 3.416 6.023 1.00 0.00 N ATOM 274 CZ ARG A 17 -15.354 4.050 5.466 1.00 0.00 C ATOM 275 NH1 ARG A 17 -15.459 5.394 5.533 1.00 0.00 N ATOM 276 NH2 ARG A 17 -16.282 3.335 4.856 1.00 0.00 N ATOM 0 H ARG A 17 -8.249 4.717 7.797 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.715 3.796 9.142 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.814 4.773 6.673 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.131 3.219 6.237 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.162 2.234 6.436 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.267 2.733 8.113 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.579 4.584 7.633 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.785 4.890 6.102 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.262 2.399 5.951 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.739 5.939 6.007 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.258 5.865 5.109 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.196 2.320 4.811 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.085 3.798 4.430 1.00 0.00 H new ATOM 289 N GLU A 18 -9.831 1.496 9.347 1.00 0.00 N ATOM 290 CA GLU A 18 -9.269 0.175 9.577 1.00 0.00 C ATOM 291 C GLU A 18 -10.225 -0.906 9.068 1.00 0.00 C ATOM 292 O GLU A 18 -11.218 -1.219 9.722 1.00 0.00 O ATOM 293 CB GLU A 18 -8.946 -0.032 11.059 1.00 0.00 C ATOM 294 CG GLU A 18 -7.514 0.405 11.373 1.00 0.00 C ATOM 295 CD GLU A 18 -6.781 -0.664 12.187 1.00 0.00 C ATOM 296 OE1 GLU A 18 -6.300 -1.655 11.616 1.00 0.00 O ATOM 297 OE2 GLU A 18 -6.719 -0.439 13.455 1.00 0.00 O ATOM 0 H GLU A 18 -10.657 1.711 9.905 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.335 0.097 9.020 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.646 0.537 11.671 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.075 -1.082 11.320 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.975 0.593 10.444 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.530 1.343 11.928 1.00 0.00 H new ATOM 305 N ILE A 19 -9.891 -1.445 7.905 1.00 0.00 N ATOM 306 CA ILE A 19 -10.708 -2.484 7.301 1.00 0.00 C ATOM 307 C ILE A 19 -9.835 -3.708 7.010 1.00 0.00 C ATOM 308 O ILE A 19 -8.731 -3.576 6.485 1.00 0.00 O ATOM 309 CB ILE A 19 -11.438 -1.943 6.070 1.00 0.00 C ATOM 310 CG1 ILE A 19 -12.327 -0.754 6.439 1.00 0.00 C ATOM 311 CG2 ILE A 19 -12.226 -3.051 5.369 1.00 0.00 C ATOM 312 CD1 ILE A 19 -13.403 -0.523 5.376 1.00 0.00 C ATOM 0 H ILE A 19 -9.067 -1.182 7.365 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.489 -2.805 7.991 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.692 -1.581 5.362 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.798 -0.934 7.405 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.716 0.143 6.544 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.735 -2.640 4.498 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.543 -3.839 5.052 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -12.962 -3.465 6.058 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -14.021 0.328 5.663 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.928 -0.320 4.416 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -14.027 -1.413 5.291 1.00 0.00 H new ATOM 324 N LYS A 20 -10.365 -4.869 7.364 1.00 0.00 N ATOM 325 CA LYS A 20 -9.648 -6.115 7.148 1.00 0.00 C ATOM 326 C LYS A 20 -10.472 -7.018 6.228 1.00 0.00 C ATOM 327 O LYS A 20 -11.681 -7.156 6.407 1.00 0.00 O ATOM 328 CB LYS A 20 -9.287 -6.764 8.485 1.00 0.00 C ATOM 329 CG LYS A 20 -8.720 -8.170 8.277 1.00 0.00 C ATOM 330 CD LYS A 20 -7.197 -8.172 8.410 1.00 0.00 C ATOM 331 CE LYS A 20 -6.540 -7.485 7.210 1.00 0.00 C ATOM 332 NZ LYS A 20 -5.181 -8.026 6.983 1.00 0.00 N ATOM 0 H LYS A 20 -11.282 -4.974 7.799 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.699 -5.927 6.645 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.556 -6.147 9.007 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.172 -6.815 9.119 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.153 -8.853 9.008 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.003 -8.538 7.291 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.908 -7.662 9.329 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.837 -9.198 8.488 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.150 -7.634 6.319 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.486 -6.410 7.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.530 -7.246 6.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.855 -8.516 7.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.203 -8.697 6.188 1.00 0.00 H new ATOM 345 N PHE A 21 -9.784 -7.611 5.262 1.00 0.00 N ATOM 346 CA PHE A 21 -10.436 -8.497 4.315 1.00 0.00 C ATOM 347 C PHE A 21 -9.421 -9.424 3.642 1.00 0.00 C ATOM 348 O PHE A 21 -8.225 -9.348 3.922 1.00 0.00 O ATOM 349 CB PHE A 21 -11.086 -7.613 3.248 1.00 0.00 C ATOM 350 CG PHE A 21 -10.110 -6.665 2.548 1.00 0.00 C ATOM 351 CD1 PHE A 21 -10.212 -5.322 2.737 1.00 0.00 C ATOM 352 CD2 PHE A 21 -9.140 -7.165 1.736 1.00 0.00 C ATOM 353 CE1 PHE A 21 -9.307 -4.442 2.087 1.00 0.00 C ATOM 354 CE2 PHE A 21 -8.235 -6.286 1.086 1.00 0.00 C ATOM 355 CZ PHE A 21 -8.337 -4.943 1.275 1.00 0.00 C ATOM 0 H PHE A 21 -8.781 -7.494 5.116 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.169 -9.117 4.831 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.557 -8.251 2.500 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.879 -7.025 3.711 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.982 -4.925 3.382 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -9.058 -8.231 1.586 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.389 -3.376 2.237 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.465 -6.684 0.441 1.00 0.00 H new ATOM 0 HZ PHE A 21 -7.648 -4.274 0.781 1.00 0.00 H new ATOM 365 N THR A 22 -9.934 -10.276 2.768 1.00 0.00 N ATOM 366 CA THR A 22 -9.088 -11.216 2.054 1.00 0.00 C ATOM 367 C THR A 22 -9.281 -11.066 0.543 1.00 0.00 C ATOM 368 O THR A 22 -10.320 -10.588 0.091 1.00 0.00 O ATOM 369 CB THR A 22 -9.401 -12.622 2.570 1.00 0.00 C ATOM 370 OG1 THR A 22 -8.399 -12.863 3.553 1.00 0.00 O ATOM 371 CG2 THR A 22 -9.154 -13.702 1.514 1.00 0.00 C ATOM 0 H THR A 22 -10.926 -10.335 2.538 1.00 0.00 H new ATOM 0 HA THR A 22 -8.032 -11.015 2.237 1.00 0.00 H new ATOM 0 HB THR A 22 -10.440 -12.665 2.897 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.529 -13.754 3.941 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.391 -14.680 1.932 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.787 -13.514 0.647 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.107 -13.681 1.210 1.00 0.00 H new ATOM 379 N VAL A 23 -8.264 -11.485 -0.196 1.00 0.00 N ATOM 380 CA VAL A 23 -8.309 -11.405 -1.645 1.00 0.00 C ATOM 381 C VAL A 23 -7.873 -12.744 -2.241 1.00 0.00 C ATOM 382 O VAL A 23 -6.829 -13.280 -1.874 1.00 0.00 O ATOM 383 CB VAL A 23 -7.457 -10.228 -2.130 1.00 0.00 C ATOM 384 CG1 VAL A 23 -6.024 -10.338 -1.607 1.00 0.00 C ATOM 385 CG2 VAL A 23 -7.478 -10.129 -3.657 1.00 0.00 C ATOM 0 H VAL A 23 -7.404 -11.881 0.183 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.327 -11.215 -1.985 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.891 -9.312 -1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.440 -9.490 -1.966 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.033 -10.337 -0.517 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.576 -11.265 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.866 -9.285 -3.975 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.081 -11.049 -4.087 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.503 -9.982 -3.998 1.00 0.00 H new ATOM 395 N SER A 24 -8.694 -13.246 -3.151 1.00 0.00 N ATOM 396 CA SER A 24 -8.406 -14.513 -3.802 1.00 0.00 C ATOM 397 C SER A 24 -8.371 -14.326 -5.320 1.00 0.00 C ATOM 398 O SER A 24 -9.179 -13.583 -5.876 1.00 0.00 O ATOM 399 CB SER A 24 -9.439 -15.575 -3.421 1.00 0.00 C ATOM 400 OG SER A 24 -9.693 -16.481 -4.491 1.00 0.00 O ATOM 0 H SER A 24 -9.559 -12.798 -3.453 1.00 0.00 H new ATOM 0 HA SER A 24 -7.429 -14.857 -3.463 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.085 -16.130 -2.552 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.370 -15.088 -3.130 1.00 0.00 H new ATOM 0 HG SER A 24 -10.481 -16.183 -4.992 1.00 0.00 H new ATOM 406 N PHE A 25 -7.428 -15.014 -5.948 1.00 0.00 N ATOM 407 CA PHE A 25 -7.278 -14.933 -7.390 1.00 0.00 C ATOM 408 C PHE A 25 -6.933 -16.301 -7.984 1.00 0.00 C ATOM 409 O PHE A 25 -6.815 -17.285 -7.255 1.00 0.00 O ATOM 410 CB PHE A 25 -6.125 -13.965 -7.667 1.00 0.00 C ATOM 411 CG PHE A 25 -4.849 -14.277 -6.882 1.00 0.00 C ATOM 412 CD1 PHE A 25 -3.999 -15.243 -7.320 1.00 0.00 C ATOM 413 CD2 PHE A 25 -4.566 -13.588 -5.743 1.00 0.00 C ATOM 414 CE1 PHE A 25 -2.815 -15.532 -6.592 1.00 0.00 C ATOM 415 CE2 PHE A 25 -3.382 -13.876 -5.014 1.00 0.00 C ATOM 416 CZ PHE A 25 -2.532 -14.842 -5.454 1.00 0.00 C ATOM 0 H PHE A 25 -6.761 -15.630 -5.484 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.211 -14.595 -7.842 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.897 -13.983 -8.733 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.449 -12.952 -7.427 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.225 -15.791 -8.223 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.242 -12.822 -5.393 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.139 -16.299 -6.941 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -3.157 -13.328 -4.111 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.632 -15.062 -4.900 1.00 0.00 H new ATOM 426 N ASP A 26 -6.781 -16.318 -9.299 1.00 0.00 N ATOM 427 CA ASP A 26 -6.452 -17.549 -9.998 1.00 0.00 C ATOM 428 C ASP A 26 -4.952 -17.576 -10.297 1.00 0.00 C ATOM 429 O ASP A 26 -4.534 -17.293 -11.419 1.00 0.00 O ATOM 430 CB ASP A 26 -7.201 -17.644 -11.329 1.00 0.00 C ATOM 431 CG ASP A 26 -8.676 -17.240 -11.272 1.00 0.00 C ATOM 432 OD1 ASP A 26 -9.032 -16.082 -11.533 1.00 0.00 O ATOM 433 OD2 ASP A 26 -9.488 -18.186 -10.937 1.00 0.00 O ATOM 0 H ASP A 26 -6.879 -15.499 -9.900 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.741 -18.385 -9.361 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.695 -17.012 -12.059 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.135 -18.669 -11.694 1.00 0.00 H new ATOM 439 N ALA A 27 -4.183 -17.918 -9.273 1.00 0.00 N ATOM 440 CA ALA A 27 -2.738 -17.985 -9.413 1.00 0.00 C ATOM 441 C ALA A 27 -2.207 -16.612 -9.825 1.00 0.00 C ATOM 442 O ALA A 27 -2.920 -15.825 -10.445 1.00 0.00 O ATOM 443 CB ALA A 27 -2.372 -19.079 -10.418 1.00 0.00 C ATOM 0 H ALA A 27 -4.533 -18.151 -8.344 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.272 -18.247 -8.463 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.288 -19.129 -10.523 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.747 -20.039 -10.063 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.820 -18.849 -11.385 1.00 0.00 H new ATOM 449 N ALA A 28 -0.956 -16.364 -9.464 1.00 0.00 N ATOM 450 CA ALA A 28 -0.319 -15.099 -9.789 1.00 0.00 C ATOM 451 C ALA A 28 -1.082 -13.960 -9.110 1.00 0.00 C ATOM 452 O ALA A 28 -2.301 -13.861 -9.239 1.00 0.00 O ATOM 453 CB ALA A 28 -0.256 -14.935 -11.308 1.00 0.00 C ATOM 0 H ALA A 28 -0.366 -17.018 -8.949 1.00 0.00 H new ATOM 0 HA ALA A 28 0.705 -15.078 -9.416 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.222 -13.986 -11.552 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.321 -15.753 -11.739 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.266 -14.949 -11.718 1.00 0.00 H new ATOM 459 N THR A 29 -0.333 -13.128 -8.401 1.00 0.00 N ATOM 460 CA THR A 29 -0.924 -11.999 -7.702 1.00 0.00 C ATOM 461 C THR A 29 -0.856 -10.741 -8.568 1.00 0.00 C ATOM 462 O THR A 29 0.086 -10.563 -9.340 1.00 0.00 O ATOM 463 CB THR A 29 -0.210 -11.850 -6.356 1.00 0.00 C ATOM 464 OG1 THR A 29 -0.700 -10.616 -5.840 1.00 0.00 O ATOM 465 CG2 THR A 29 1.294 -11.618 -6.514 1.00 0.00 C ATOM 0 H THR A 29 0.678 -13.213 -8.296 1.00 0.00 H new ATOM 0 HA THR A 29 -1.984 -12.165 -7.508 1.00 0.00 H new ATOM 0 HB THR A 29 -0.378 -12.743 -5.754 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.290 -10.441 -4.967 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.752 -11.519 -5.530 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.739 -12.463 -7.038 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.463 -10.706 -7.086 1.00 0.00 H new ATOM 473 N PRO A 30 -1.894 -9.876 -8.409 1.00 0.00 N ATOM 474 CA PRO A 30 -1.961 -8.639 -9.167 1.00 0.00 C ATOM 475 C PRO A 30 -0.972 -7.606 -8.622 1.00 0.00 C ATOM 476 O PRO A 30 0.177 -7.551 -9.057 1.00 0.00 O ATOM 477 CB PRO A 30 -3.409 -8.189 -9.059 1.00 0.00 C ATOM 478 CG PRO A 30 -3.989 -8.934 -7.869 1.00 0.00 C ATOM 479 CD PRO A 30 -3.026 -10.053 -7.505 1.00 0.00 C ATOM 0 HA PRO A 30 -1.675 -8.770 -10.211 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.473 -7.111 -8.914 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.959 -8.421 -9.971 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.125 -8.258 -7.025 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.971 -9.340 -8.114 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.715 -9.984 -6.463 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.488 -11.031 -7.636 1.00 0.00 H new ATOM 487 N SER A 31 -1.455 -6.814 -7.676 1.00 0.00 N ATOM 488 CA SER A 31 -0.628 -5.786 -7.066 1.00 0.00 C ATOM 489 C SER A 31 -1.448 -4.989 -6.051 1.00 0.00 C ATOM 490 O SER A 31 -2.632 -5.259 -5.854 1.00 0.00 O ATOM 491 CB SER A 31 -0.040 -4.853 -8.125 1.00 0.00 C ATOM 492 OG SER A 31 1.231 -5.303 -8.588 1.00 0.00 O ATOM 0 H SER A 31 -2.408 -6.863 -7.317 1.00 0.00 H new ATOM 0 HA SER A 31 0.200 -6.273 -6.551 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.728 -4.782 -8.967 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.060 -3.850 -7.709 1.00 0.00 H new ATOM 0 HG SER A 31 1.225 -6.280 -8.661 1.00 0.00 H new ATOM 498 N ILE A 32 -0.787 -4.020 -5.434 1.00 0.00 N ATOM 499 CA ILE A 32 -1.441 -3.181 -4.443 1.00 0.00 C ATOM 500 C ILE A 32 -2.417 -2.235 -5.147 1.00 0.00 C ATOM 501 O ILE A 32 -3.610 -2.232 -4.847 1.00 0.00 O ATOM 502 CB ILE A 32 -0.403 -2.463 -3.581 1.00 0.00 C ATOM 503 CG1 ILE A 32 0.802 -3.366 -3.306 1.00 0.00 C ATOM 504 CG2 ILE A 32 -1.031 -1.937 -2.289 1.00 0.00 C ATOM 505 CD1 ILE A 32 1.619 -2.844 -2.123 1.00 0.00 C ATOM 0 H ILE A 32 0.194 -3.797 -5.601 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.027 -3.790 -3.754 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.038 -1.599 -4.136 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.461 -4.380 -3.098 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.433 -3.418 -4.194 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.270 -1.431 -1.695 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.829 -1.235 -2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.442 -2.770 -1.719 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.469 -3.504 -1.949 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.979 -1.839 -2.344 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.992 -2.817 -1.232 1.00 0.00 H new ATOM 517 N LYS A 33 -1.872 -1.456 -6.071 1.00 0.00 N ATOM 518 CA LYS A 33 -2.679 -0.508 -6.820 1.00 0.00 C ATOM 519 C LYS A 33 -3.791 -1.260 -7.556 1.00 0.00 C ATOM 520 O LYS A 33 -4.866 -0.711 -7.791 1.00 0.00 O ATOM 521 CB LYS A 33 -1.797 0.339 -7.738 1.00 0.00 C ATOM 522 CG LYS A 33 -1.855 1.816 -7.347 1.00 0.00 C ATOM 523 CD LYS A 33 -0.514 2.286 -6.778 1.00 0.00 C ATOM 524 CE LYS A 33 0.638 1.907 -7.710 1.00 0.00 C ATOM 525 NZ LYS A 33 1.557 3.054 -7.890 1.00 0.00 N ATOM 0 H LYS A 33 -0.882 -1.462 -6.317 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.164 0.197 -6.144 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.767 -0.014 -7.685 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.122 0.220 -8.771 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.115 2.417 -8.219 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.641 1.970 -6.608 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.533 3.367 -6.638 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.355 1.840 -5.796 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.183 1.058 -7.298 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.244 1.594 -8.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.334 2.780 -8.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.037 3.854 -8.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.947 3.334 -6.968 1.00 0.00 H new ATOM 538 N ASP A 34 -3.492 -2.504 -7.898 1.00 0.00 N ATOM 539 CA ASP A 34 -4.452 -3.337 -8.603 1.00 0.00 C ATOM 540 C ASP A 34 -5.441 -3.929 -7.597 1.00 0.00 C ATOM 541 O ASP A 34 -6.596 -4.187 -7.935 1.00 0.00 O ATOM 542 CB ASP A 34 -3.755 -4.496 -9.319 1.00 0.00 C ATOM 543 CG ASP A 34 -3.393 -4.228 -10.781 1.00 0.00 C ATOM 544 OD1 ASP A 34 -2.284 -4.547 -11.233 1.00 0.00 O ATOM 545 OD2 ASP A 34 -4.319 -3.658 -11.476 1.00 0.00 O ATOM 0 H ASP A 34 -2.599 -2.956 -7.700 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.963 -2.715 -9.338 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.844 -4.745 -8.774 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.402 -5.372 -9.275 1.00 0.00 H new ATOM 551 N VAL A 35 -4.953 -4.128 -6.381 1.00 0.00 N ATOM 552 CA VAL A 35 -5.780 -4.685 -5.324 1.00 0.00 C ATOM 553 C VAL A 35 -6.687 -3.589 -4.761 1.00 0.00 C ATOM 554 O VAL A 35 -7.849 -3.841 -4.446 1.00 0.00 O ATOM 555 CB VAL A 35 -4.897 -5.338 -4.259 1.00 0.00 C ATOM 556 CG1 VAL A 35 -5.621 -5.404 -2.913 1.00 0.00 C ATOM 557 CG2 VAL A 35 -4.437 -6.727 -4.703 1.00 0.00 C ATOM 0 H VAL A 35 -3.995 -3.913 -6.104 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.426 -5.470 -5.717 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.010 -4.717 -4.133 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.972 -5.872 -2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.875 -4.395 -2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.533 -5.991 -3.019 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.811 -7.168 -3.927 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.307 -7.362 -4.872 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.865 -6.643 -5.627 1.00 0.00 H new ATOM 567 N LYS A 36 -6.121 -2.396 -4.650 1.00 0.00 N ATOM 568 CA LYS A 36 -6.864 -1.261 -4.130 1.00 0.00 C ATOM 569 C LYS A 36 -7.920 -0.837 -5.152 1.00 0.00 C ATOM 570 O LYS A 36 -8.902 -0.184 -4.801 1.00 0.00 O ATOM 571 CB LYS A 36 -5.908 -0.135 -3.729 1.00 0.00 C ATOM 572 CG LYS A 36 -5.389 0.608 -4.961 1.00 0.00 C ATOM 573 CD LYS A 36 -6.407 1.642 -5.448 1.00 0.00 C ATOM 574 CE LYS A 36 -5.855 3.062 -5.314 1.00 0.00 C ATOM 575 NZ LYS A 36 -5.761 3.710 -6.641 1.00 0.00 N ATOM 0 H LYS A 36 -5.157 -2.191 -4.911 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.395 -1.537 -3.219 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.420 0.564 -3.068 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.069 -0.548 -3.169 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.448 1.104 -4.721 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.180 -0.105 -5.759 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.662 1.444 -6.489 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.328 1.550 -4.872 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.501 3.649 -4.661 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.871 3.033 -4.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.766 3.923 -6.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.141 3.070 -7.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.311 4.593 -6.636 1.00 0.00 H new ATOM 588 N MET A 37 -7.683 -1.224 -6.397 1.00 0.00 N ATOM 589 CA MET A 37 -8.602 -0.893 -7.472 1.00 0.00 C ATOM 590 C MET A 37 -9.980 -1.510 -7.226 1.00 0.00 C ATOM 591 O MET A 37 -10.962 -0.793 -7.043 1.00 0.00 O ATOM 592 CB MET A 37 -8.041 -1.407 -8.800 1.00 0.00 C ATOM 593 CG MET A 37 -6.952 -0.474 -9.333 1.00 0.00 C ATOM 594 SD MET A 37 -7.537 0.381 -10.787 1.00 0.00 S ATOM 595 CE MET A 37 -5.988 0.973 -11.444 1.00 0.00 C ATOM 0 H MET A 37 -6.867 -1.764 -6.685 1.00 0.00 H new ATOM 0 HA MET A 37 -8.712 0.191 -7.509 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.632 -2.408 -8.663 1.00 0.00 H new ATOM 0 HB3 MET A 37 -8.845 -1.488 -9.531 1.00 0.00 H new ATOM 0 HG2 MET A 37 -6.672 0.247 -8.565 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.057 -1.047 -9.574 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.172 1.533 -12.361 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.507 1.622 -10.712 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.337 0.126 -11.661 1.00 0.00 H new ATOM 605 N LYS A 38 -10.008 -2.835 -7.229 1.00 0.00 N ATOM 606 CA LYS A 38 -11.249 -3.557 -7.009 1.00 0.00 C ATOM 607 C LYS A 38 -11.777 -3.240 -5.607 1.00 0.00 C ATOM 608 O LYS A 38 -12.987 -3.218 -5.387 1.00 0.00 O ATOM 609 CB LYS A 38 -11.053 -5.053 -7.268 1.00 0.00 C ATOM 610 CG LYS A 38 -10.247 -5.703 -6.142 1.00 0.00 C ATOM 611 CD LYS A 38 -8.777 -5.857 -6.539 1.00 0.00 C ATOM 612 CE LYS A 38 -8.148 -7.068 -5.849 1.00 0.00 C ATOM 613 NZ LYS A 38 -7.086 -7.654 -6.697 1.00 0.00 N ATOM 0 H LYS A 38 -9.191 -3.427 -7.380 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.010 -3.231 -7.719 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.024 -5.541 -7.354 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.539 -5.197 -8.218 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.322 -5.097 -5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.668 -6.680 -5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.698 -5.968 -7.620 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.227 -4.955 -6.271 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.731 -6.770 -4.887 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.914 -7.817 -5.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.846 -8.604 -6.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.423 -7.722 -7.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.241 -7.049 -6.663 1.00 0.00 H new ATOM 626 N LEU A 39 -10.843 -3.004 -4.698 1.00 0.00 N ATOM 627 CA LEU A 39 -11.199 -2.689 -3.325 1.00 0.00 C ATOM 628 C LEU A 39 -12.055 -1.421 -3.302 1.00 0.00 C ATOM 629 O LEU A 39 -12.908 -1.260 -2.431 1.00 0.00 O ATOM 630 CB LEU A 39 -9.944 -2.601 -2.453 1.00 0.00 C ATOM 631 CG LEU A 39 -9.310 -3.934 -2.052 1.00 0.00 C ATOM 632 CD1 LEU A 39 -7.877 -3.732 -1.558 1.00 0.00 C ATOM 633 CD2 LEU A 39 -10.175 -4.664 -1.023 1.00 0.00 C ATOM 0 H LEU A 39 -9.841 -3.025 -4.885 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.802 -3.488 -2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.197 -2.012 -2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.195 -2.053 -1.545 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.258 -4.569 -2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.449 -4.695 -1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.278 -3.285 -2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.881 -3.072 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.702 -5.609 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.281 -4.045 -0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.160 -4.859 -1.448 1.00 0.00 H new ATOM 645 N VAL A 40 -11.796 -0.554 -4.270 1.00 0.00 N ATOM 646 CA VAL A 40 -12.533 0.695 -4.371 1.00 0.00 C ATOM 647 C VAL A 40 -14.033 0.395 -4.418 1.00 0.00 C ATOM 648 O VAL A 40 -14.835 1.132 -3.845 1.00 0.00 O ATOM 649 CB VAL A 40 -12.045 1.492 -5.582 1.00 0.00 C ATOM 650 CG1 VAL A 40 -12.818 2.806 -5.719 1.00 0.00 C ATOM 651 CG2 VAL A 40 -10.539 1.748 -5.500 1.00 0.00 C ATOM 0 H VAL A 40 -11.087 -0.691 -4.991 1.00 0.00 H new ATOM 0 HA VAL A 40 -12.353 1.317 -3.494 1.00 0.00 H new ATOM 0 HB VAL A 40 -12.234 0.896 -6.475 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.452 3.354 -6.587 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -13.879 2.592 -5.845 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.673 3.408 -4.822 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.218 2.316 -6.373 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.315 2.314 -4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.009 0.796 -5.472 1.00 0.00 H new ATOM 661 N ALA A 41 -14.366 -0.688 -5.103 1.00 0.00 N ATOM 662 CA ALA A 41 -15.756 -1.095 -5.232 1.00 0.00 C ATOM 663 C ALA A 41 -16.229 -1.705 -3.911 1.00 0.00 C ATOM 664 O ALA A 41 -17.290 -1.349 -3.403 1.00 0.00 O ATOM 665 CB ALA A 41 -15.898 -2.064 -6.406 1.00 0.00 C ATOM 0 H ALA A 41 -13.698 -1.297 -5.575 1.00 0.00 H new ATOM 0 HA ALA A 41 -16.390 -0.234 -5.443 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -16.940 -2.369 -6.502 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.577 -1.572 -7.324 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -15.278 -2.943 -6.229 1.00 0.00 H new ATOM 671 N VAL A 42 -15.415 -2.614 -3.392 1.00 0.00 N ATOM 672 CA VAL A 42 -15.737 -3.278 -2.140 1.00 0.00 C ATOM 673 C VAL A 42 -15.885 -2.229 -1.036 1.00 0.00 C ATOM 674 O VAL A 42 -16.888 -2.210 -0.323 1.00 0.00 O ATOM 675 CB VAL A 42 -14.679 -4.336 -1.823 1.00 0.00 C ATOM 676 CG1 VAL A 42 -14.864 -4.888 -0.407 1.00 0.00 C ATOM 677 CG2 VAL A 42 -14.702 -5.462 -2.858 1.00 0.00 C ATOM 0 H VAL A 42 -14.534 -2.906 -3.816 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.689 -3.803 -2.218 1.00 0.00 H new ATOM 0 HB VAL A 42 -13.701 -3.857 -1.871 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.099 -5.638 -0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.774 -4.076 0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.851 -5.343 -0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.940 -6.201 -2.609 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.683 -5.938 -2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.500 -5.051 -3.847 1.00 0.00 H new ATOM 687 N LEU A 43 -14.871 -1.382 -0.928 1.00 0.00 N ATOM 688 CA LEU A 43 -14.876 -0.334 0.077 1.00 0.00 C ATOM 689 C LEU A 43 -15.886 0.745 -0.320 1.00 0.00 C ATOM 690 O LEU A 43 -16.584 1.292 0.532 1.00 0.00 O ATOM 691 CB LEU A 43 -13.460 0.202 0.300 1.00 0.00 C ATOM 692 CG LEU A 43 -12.380 -0.848 0.568 1.00 0.00 C ATOM 693 CD1 LEU A 43 -11.095 -0.194 1.077 1.00 0.00 C ATOM 694 CD2 LEU A 43 -12.891 -1.929 1.523 1.00 0.00 C ATOM 0 H LEU A 43 -14.041 -1.401 -1.520 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.197 -0.732 1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.169 0.778 -0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.483 0.894 1.142 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.139 -1.339 -0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.344 -0.962 1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.723 0.507 0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.301 0.340 2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.104 -2.663 1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.177 -1.472 2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -13.757 -2.423 1.083 1.00 0.00 H new ATOM 706 N ASN A 44 -15.933 1.016 -1.616 1.00 0.00 N ATOM 707 CA ASN A 44 -16.846 2.020 -2.137 1.00 0.00 C ATOM 708 C ASN A 44 -16.415 3.402 -1.642 1.00 0.00 C ATOM 709 O ASN A 44 -17.210 4.126 -1.044 1.00 0.00 O ATOM 710 CB ASN A 44 -18.275 1.767 -1.654 1.00 0.00 C ATOM 711 CG ASN A 44 -19.297 2.272 -2.675 1.00 0.00 C ATOM 712 OD1 ASN A 44 -18.960 2.736 -3.751 1.00 0.00 O ATOM 713 ND2 ASN A 44 -20.561 2.156 -2.278 1.00 0.00 N ATOM 0 H ASN A 44 -15.354 0.558 -2.320 1.00 0.00 H new ATOM 0 HA ASN A 44 -16.819 1.969 -3.225 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -18.422 0.700 -1.484 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -18.433 2.266 -0.698 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -21.318 2.465 -2.888 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -20.774 1.758 -1.363 1.00 0.00 H new ATOM 720 N ALA A 45 -15.159 3.726 -1.911 1.00 0.00 N ATOM 721 CA ALA A 45 -14.614 5.009 -1.500 1.00 0.00 C ATOM 722 C ALA A 45 -13.852 5.633 -2.671 1.00 0.00 C ATOM 723 O ALA A 45 -13.924 5.141 -3.795 1.00 0.00 O ATOM 724 CB ALA A 45 -13.731 4.816 -0.266 1.00 0.00 C ATOM 0 H ALA A 45 -14.503 3.123 -2.408 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.414 5.696 -1.224 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.322 5.778 0.043 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.326 4.398 0.546 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.915 4.135 -0.506 1.00 0.00 H new ATOM 730 N ASN A 46 -13.140 6.708 -2.367 1.00 0.00 N ATOM 731 CA ASN A 46 -12.365 7.404 -3.379 1.00 0.00 C ATOM 732 C ASN A 46 -11.169 6.539 -3.785 1.00 0.00 C ATOM 733 O ASN A 46 -10.487 5.978 -2.930 1.00 0.00 O ATOM 734 CB ASN A 46 -11.828 8.733 -2.845 1.00 0.00 C ATOM 735 CG ASN A 46 -11.336 9.624 -3.987 1.00 0.00 C ATOM 736 OD1 ASN A 46 -11.125 9.185 -5.105 1.00 0.00 O ATOM 737 ND2 ASN A 46 -11.164 10.898 -3.644 1.00 0.00 N ATOM 0 H ASN A 46 -13.084 7.114 -1.433 1.00 0.00 H new ATOM 0 HA ASN A 46 -13.018 7.595 -4.231 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.611 9.248 -2.288 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.012 8.546 -2.148 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.837 11.573 -4.336 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.359 11.200 -2.690 1.00 0.00 H new ATOM 744 N LYS A 47 -10.952 6.461 -5.090 1.00 0.00 N ATOM 745 CA LYS A 47 -9.851 5.674 -5.618 1.00 0.00 C ATOM 746 C LYS A 47 -8.527 6.265 -5.129 1.00 0.00 C ATOM 747 O LYS A 47 -7.498 5.591 -5.146 1.00 0.00 O ATOM 748 CB LYS A 47 -9.951 5.567 -7.141 1.00 0.00 C ATOM 749 CG LYS A 47 -9.764 6.935 -7.800 1.00 0.00 C ATOM 750 CD LYS A 47 -8.297 7.175 -8.159 1.00 0.00 C ATOM 751 CE LYS A 47 -7.781 6.091 -9.108 1.00 0.00 C ATOM 752 NZ LYS A 47 -7.009 6.696 -10.216 1.00 0.00 N ATOM 0 H LYS A 47 -11.519 6.929 -5.796 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.901 4.651 -5.246 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -9.195 4.875 -7.511 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.922 5.156 -7.417 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.377 6.996 -8.699 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.110 7.718 -7.125 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.188 8.154 -8.626 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.694 7.186 -7.251 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.152 5.389 -8.560 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.619 5.522 -9.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.666 5.946 -10.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.619 7.348 -10.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.198 7.219 -9.829 1.00 0.00 H new ATOM 765 N GLN A 48 -8.596 7.519 -4.706 1.00 0.00 N ATOM 766 CA GLN A 48 -7.416 8.208 -4.214 1.00 0.00 C ATOM 767 C GLN A 48 -7.380 8.173 -2.684 1.00 0.00 C ATOM 768 O GLN A 48 -8.331 7.724 -2.048 1.00 0.00 O ATOM 769 CB GLN A 48 -7.366 9.647 -4.730 1.00 0.00 C ATOM 770 CG GLN A 48 -6.926 9.689 -6.194 1.00 0.00 C ATOM 771 CD GLN A 48 -5.872 10.775 -6.421 1.00 0.00 C ATOM 772 OE1 GLN A 48 -5.946 11.869 -5.885 1.00 0.00 O ATOM 773 NE2 GLN A 48 -4.890 10.414 -7.241 1.00 0.00 N ATOM 0 H GLN A 48 -9.451 8.075 -4.694 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.534 7.691 -4.591 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.349 10.108 -4.628 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.675 10.231 -4.122 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.522 8.719 -6.483 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.790 9.877 -6.831 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.889 9.482 -7.656 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.138 11.069 -7.455 1.00 0.00 H new ATOM 782 N VAL A 49 -6.273 8.655 -2.139 1.00 0.00 N ATOM 783 CA VAL A 49 -6.101 8.685 -0.696 1.00 0.00 C ATOM 784 C VAL A 49 -6.449 7.311 -0.117 1.00 0.00 C ATOM 785 O VAL A 49 -6.832 7.204 1.047 1.00 0.00 O ATOM 786 CB VAL A 49 -6.935 9.817 -0.093 1.00 0.00 C ATOM 787 CG1 VAL A 49 -6.659 11.142 -0.807 1.00 0.00 C ATOM 788 CG2 VAL A 49 -8.426 9.476 -0.125 1.00 0.00 C ATOM 0 H VAL A 49 -5.486 9.028 -2.670 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.062 8.893 -0.439 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.640 9.932 0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.265 11.930 -0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.603 11.395 -0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.912 11.046 -1.863 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.996 10.297 0.309 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.742 9.321 -1.157 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.604 8.567 0.449 1.00 0.00 H new ATOM 798 N LEU A 50 -6.301 6.297 -0.956 1.00 0.00 N ATOM 799 CA LEU A 50 -6.595 4.936 -0.541 1.00 0.00 C ATOM 800 C LEU A 50 -5.412 4.031 -0.898 1.00 0.00 C ATOM 801 O LEU A 50 -4.879 4.110 -2.004 1.00 0.00 O ATOM 802 CB LEU A 50 -7.926 4.470 -1.136 1.00 0.00 C ATOM 803 CG LEU A 50 -8.169 2.959 -1.135 1.00 0.00 C ATOM 804 CD1 LEU A 50 -9.488 2.616 -0.440 1.00 0.00 C ATOM 805 CD2 LEU A 50 -8.106 2.393 -2.556 1.00 0.00 C ATOM 0 H LEU A 50 -5.982 6.390 -1.920 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.720 4.887 0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.735 4.948 -0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.986 4.827 -2.164 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.371 2.485 -0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.636 1.536 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.457 2.965 0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.312 3.102 -0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.282 1.318 -2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.869 2.869 -3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.122 2.588 -2.982 1.00 0.00 H new ATOM 817 N VAL A 51 -5.038 3.195 0.059 1.00 0.00 N ATOM 818 CA VAL A 51 -3.929 2.278 -0.142 1.00 0.00 C ATOM 819 C VAL A 51 -4.117 1.053 0.757 1.00 0.00 C ATOM 820 O VAL A 51 -5.030 1.019 1.581 1.00 0.00 O ATOM 821 CB VAL A 51 -2.602 3.001 0.103 1.00 0.00 C ATOM 822 CG1 VAL A 51 -1.472 2.355 -0.700 1.00 0.00 C ATOM 823 CG2 VAL A 51 -2.723 4.491 -0.219 1.00 0.00 C ATOM 0 H VAL A 51 -5.483 3.133 0.975 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.907 1.925 -1.173 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.357 2.907 1.161 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.540 2.887 -0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.363 1.312 -0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.707 2.405 -1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.767 4.981 -0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.001 4.616 -1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.488 4.939 0.415 1.00 0.00 H new ATOM 833 N VAL A 52 -3.240 0.079 0.566 1.00 0.00 N ATOM 834 CA VAL A 52 -3.298 -1.143 1.348 1.00 0.00 C ATOM 835 C VAL A 52 -2.252 -1.080 2.464 1.00 0.00 C ATOM 836 O VAL A 52 -1.221 -0.426 2.317 1.00 0.00 O ATOM 837 CB VAL A 52 -3.124 -2.358 0.435 1.00 0.00 C ATOM 838 CG1 VAL A 52 -2.382 -3.485 1.155 1.00 0.00 C ATOM 839 CG2 VAL A 52 -4.476 -2.843 -0.094 1.00 0.00 C ATOM 0 H VAL A 52 -2.485 0.112 -0.119 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.274 -1.246 1.822 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.519 -2.051 -0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.272 -4.336 0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.396 -3.134 1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.948 -3.789 2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.325 -3.707 -0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.115 -3.123 0.743 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.952 -2.044 -0.662 1.00 0.00 H new ATOM 849 N ASP A 53 -2.556 -1.769 3.555 1.00 0.00 N ATOM 850 CA ASP A 53 -1.654 -1.800 4.695 1.00 0.00 C ATOM 851 C ASP A 53 -0.632 -2.921 4.501 1.00 0.00 C ATOM 852 O ASP A 53 0.574 -2.681 4.540 1.00 0.00 O ATOM 853 CB ASP A 53 -2.417 -2.074 5.992 1.00 0.00 C ATOM 854 CG ASP A 53 -2.449 -0.907 6.982 1.00 0.00 C ATOM 855 OD1 ASP A 53 -1.961 0.194 6.688 1.00 0.00 O ATOM 856 OD2 ASP A 53 -3.013 -1.167 8.113 1.00 0.00 O ATOM 0 H ASP A 53 -3.413 -2.309 3.674 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.163 -0.829 4.764 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.442 -2.347 5.742 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.968 -2.937 6.485 1.00 0.00 H new ATOM 862 N THR A 54 -1.151 -4.123 4.297 1.00 0.00 N ATOM 863 CA THR A 54 -0.299 -5.283 4.099 1.00 0.00 C ATOM 864 C THR A 54 -1.124 -6.473 3.605 1.00 0.00 C ATOM 865 O THR A 54 -2.341 -6.505 3.782 1.00 0.00 O ATOM 866 CB THR A 54 0.440 -5.556 5.409 1.00 0.00 C ATOM 867 OG1 THR A 54 1.730 -4.986 5.207 1.00 0.00 O ATOM 868 CG2 THR A 54 0.722 -7.046 5.623 1.00 0.00 C ATOM 0 H THR A 54 -2.152 -4.319 4.265 1.00 0.00 H new ATOM 0 HA THR A 54 0.444 -5.100 3.323 1.00 0.00 H new ATOM 0 HB THR A 54 -0.148 -5.173 6.243 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.634 -4.078 4.850 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.248 -7.185 6.567 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.220 -7.595 5.648 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.338 -7.421 4.806 1.00 0.00 H new ATOM 876 N LEU A 55 -0.429 -7.423 2.998 1.00 0.00 N ATOM 877 CA LEU A 55 -1.082 -8.612 2.479 1.00 0.00 C ATOM 878 C LEU A 55 -0.208 -9.836 2.765 1.00 0.00 C ATOM 879 O LEU A 55 0.944 -9.697 3.171 1.00 0.00 O ATOM 880 CB LEU A 55 -1.422 -8.433 0.998 1.00 0.00 C ATOM 881 CG LEU A 55 -2.676 -9.158 0.506 1.00 0.00 C ATOM 882 CD1 LEU A 55 -3.722 -8.162 0.000 1.00 0.00 C ATOM 883 CD2 LEU A 55 -2.324 -10.206 -0.553 1.00 0.00 C ATOM 0 H LEU A 55 0.580 -7.393 2.854 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.034 -8.774 2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.540 -7.368 0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.573 -8.775 0.407 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.117 -9.688 1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.603 -8.703 -0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.003 -7.487 0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.306 -7.585 -0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.233 -10.707 -0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.846 -9.718 -1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.641 -10.940 -0.125 1.00 0.00 H new ATOM 895 N ASP A 56 -0.791 -11.004 2.543 1.00 0.00 N ATOM 896 CA ASP A 56 -0.080 -12.251 2.774 1.00 0.00 C ATOM 897 C ASP A 56 -0.794 -13.384 2.035 1.00 0.00 C ATOM 898 O ASP A 56 -2.005 -13.553 2.172 1.00 0.00 O ATOM 899 CB ASP A 56 -0.051 -12.602 4.262 1.00 0.00 C ATOM 900 CG ASP A 56 1.330 -12.532 4.917 1.00 0.00 C ATOM 901 OD1 ASP A 56 1.796 -11.453 5.311 1.00 0.00 O ATOM 902 OD2 ASP A 56 1.945 -13.663 5.015 1.00 0.00 O ATOM 0 H ASP A 56 -1.747 -11.114 2.206 1.00 0.00 H new ATOM 0 HA ASP A 56 0.941 -12.128 2.413 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.722 -11.927 4.792 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.446 -13.610 4.390 1.00 0.00 H new ATOM 908 N GLN A 57 -0.015 -14.131 1.267 1.00 0.00 N ATOM 909 CA GLN A 57 -0.557 -15.244 0.506 1.00 0.00 C ATOM 910 C GLN A 57 -0.957 -16.384 1.444 1.00 0.00 C ATOM 911 O GLN A 57 -0.320 -16.597 2.475 1.00 0.00 O ATOM 912 CB GLN A 57 0.441 -15.725 -0.549 1.00 0.00 C ATOM 913 CG GLN A 57 -0.262 -16.534 -1.641 1.00 0.00 C ATOM 914 CD GLN A 57 0.546 -17.780 -2.008 1.00 0.00 C ATOM 915 OE1 GLN A 57 1.753 -17.839 -1.843 1.00 0.00 O ATOM 916 NE2 GLN A 57 -0.185 -18.769 -2.512 1.00 0.00 N ATOM 0 H GLN A 57 0.989 -13.987 1.155 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.450 -14.901 -0.017 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.946 -14.868 -0.995 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.209 -16.337 -0.076 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.254 -16.828 -1.299 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.401 -15.913 -2.526 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.192 -18.653 -2.623 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.261 -19.644 -2.787 1.00 0.00 H new ATOM 925 N ILE A 58 -2.010 -17.088 1.054 1.00 0.00 N ATOM 926 CA ILE A 58 -2.502 -18.201 1.847 1.00 0.00 C ATOM 927 C ILE A 58 -1.973 -19.512 1.263 1.00 0.00 C ATOM 928 O ILE A 58 -2.051 -19.732 0.055 1.00 0.00 O ATOM 929 CB ILE A 58 -4.027 -18.147 1.958 1.00 0.00 C ATOM 930 CG1 ILE A 58 -4.494 -16.770 2.434 1.00 0.00 C ATOM 931 CG2 ILE A 58 -4.552 -19.271 2.854 1.00 0.00 C ATOM 932 CD1 ILE A 58 -3.806 -16.378 3.742 1.00 0.00 C ATOM 0 H ILE A 58 -2.536 -16.909 0.199 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.129 -18.135 2.869 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.447 -18.304 0.965 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.279 -16.025 1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.575 -16.778 2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.639 -19.210 2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.266 -20.235 2.433 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.125 -19.170 3.852 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.157 -15.395 4.057 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.043 -17.112 4.512 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.727 -16.347 3.590 1.00 0.00 H new ATOM 944 N PHE A 59 -1.447 -20.347 2.147 1.00 0.00 N ATOM 945 CA PHE A 59 -0.906 -21.631 1.732 1.00 0.00 C ATOM 946 C PHE A 59 -2.026 -22.642 1.480 1.00 0.00 C ATOM 947 O PHE A 59 -1.982 -23.391 0.505 1.00 0.00 O ATOM 948 CB PHE A 59 -0.027 -22.136 2.879 1.00 0.00 C ATOM 949 CG PHE A 59 0.602 -23.507 2.622 1.00 0.00 C ATOM 950 CD1 PHE A 59 0.240 -24.574 3.383 1.00 0.00 C ATOM 951 CD2 PHE A 59 1.524 -23.657 1.634 1.00 0.00 C ATOM 952 CE1 PHE A 59 0.825 -25.847 3.145 1.00 0.00 C ATOM 953 CE2 PHE A 59 2.108 -24.929 1.396 1.00 0.00 C ATOM 954 CZ PHE A 59 1.747 -25.997 2.157 1.00 0.00 C ATOM 0 H PHE A 59 -1.384 -20.160 3.148 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.342 -21.517 0.806 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.767 -21.412 3.061 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.627 -22.187 3.788 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.492 -24.454 4.168 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.812 -22.809 1.031 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.537 -26.695 3.749 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.839 -25.049 0.610 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.193 -26.964 1.976 1.00 0.00 H new ATOM 964 N GLY A 60 -3.003 -22.632 2.375 1.00 0.00 N ATOM 965 CA GLY A 60 -4.132 -23.539 2.261 1.00 0.00 C ATOM 966 C GLY A 60 -4.621 -23.626 0.814 1.00 0.00 C ATOM 967 O GLY A 60 -4.782 -24.720 0.274 1.00 0.00 O ATOM 0 H GLY A 60 -3.036 -22.010 3.183 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.844 -24.530 2.611 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.944 -23.197 2.903 1.00 0.00 H new ATOM 971 N LYS A 61 -4.844 -22.459 0.228 1.00 0.00 N ATOM 972 CA LYS A 61 -5.312 -22.390 -1.147 1.00 0.00 C ATOM 973 C LYS A 61 -4.656 -21.198 -1.845 1.00 0.00 C ATOM 974 O LYS A 61 -3.564 -20.775 -1.465 1.00 0.00 O ATOM 975 CB LYS A 61 -6.842 -22.362 -1.191 1.00 0.00 C ATOM 976 CG LYS A 61 -7.381 -21.024 -0.683 1.00 0.00 C ATOM 977 CD LYS A 61 -8.859 -20.857 -1.039 1.00 0.00 C ATOM 978 CE LYS A 61 -9.754 -21.267 0.131 1.00 0.00 C ATOM 979 NZ LYS A 61 -10.993 -20.455 0.146 1.00 0.00 N ATOM 0 H LYS A 61 -4.710 -21.554 0.679 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.016 -23.284 -1.696 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.183 -22.531 -2.212 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.242 -23.174 -0.583 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.255 -20.964 0.398 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.804 -20.207 -1.117 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.057 -19.819 -1.307 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.097 -21.463 -1.913 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.006 -22.324 0.050 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.216 -21.138 1.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.420 -20.490 1.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.765 -19.469 -0.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.665 -20.835 -0.551 1.00 0.00 H new ATOM 992 N LEU A 62 -5.347 -20.689 -2.854 1.00 0.00 N ATOM 993 CA LEU A 62 -4.845 -19.553 -3.609 1.00 0.00 C ATOM 994 C LEU A 62 -5.486 -18.270 -3.080 1.00 0.00 C ATOM 995 O LEU A 62 -5.993 -17.460 -3.853 1.00 0.00 O ATOM 996 CB LEU A 62 -5.054 -19.772 -5.108 1.00 0.00 C ATOM 997 CG LEU A 62 -4.429 -21.039 -5.695 1.00 0.00 C ATOM 998 CD1 LEU A 62 -5.399 -21.737 -6.651 1.00 0.00 C ATOM 999 CD2 LEU A 62 -3.088 -20.731 -6.364 1.00 0.00 C ATOM 0 H LEU A 62 -6.251 -21.042 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.768 -19.451 -3.472 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.126 -19.794 -5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.650 -18.911 -5.640 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.229 -21.731 -4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.930 -22.634 -7.054 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.306 -22.012 -6.112 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.653 -21.062 -7.468 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.666 -21.649 -6.773 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.240 -20.012 -7.169 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.402 -20.312 -5.628 1.00 0.00 H new ATOM 1011 N GLU A 63 -5.444 -18.124 -1.763 1.00 0.00 N ATOM 1012 CA GLU A 63 -6.014 -16.952 -1.121 1.00 0.00 C ATOM 1013 C GLU A 63 -4.903 -16.022 -0.628 1.00 0.00 C ATOM 1014 O GLU A 63 -3.737 -16.412 -0.582 1.00 0.00 O ATOM 1015 CB GLU A 63 -6.942 -17.354 0.027 1.00 0.00 C ATOM 1016 CG GLU A 63 -8.001 -16.279 0.277 1.00 0.00 C ATOM 1017 CD GLU A 63 -9.410 -16.874 0.225 1.00 0.00 C ATOM 1018 OE1 GLU A 63 -9.772 -17.524 -0.767 1.00 0.00 O ATOM 1019 OE2 GLU A 63 -10.140 -16.641 1.262 1.00 0.00 O ATOM 0 H GLU A 63 -5.024 -18.798 -1.123 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.611 -16.413 -1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.428 -18.301 -0.208 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.358 -17.512 0.934 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.833 -15.817 1.250 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.908 -15.491 -0.470 1.00 0.00 H new ATOM 1027 N ALA A 64 -5.303 -14.811 -0.272 1.00 0.00 N ATOM 1028 CA ALA A 64 -4.356 -13.823 0.216 1.00 0.00 C ATOM 1029 C ALA A 64 -5.091 -12.812 1.098 1.00 0.00 C ATOM 1030 O ALA A 64 -6.013 -12.138 0.642 1.00 0.00 O ATOM 1031 CB ALA A 64 -3.655 -13.159 -0.971 1.00 0.00 C ATOM 0 H ALA A 64 -6.271 -14.491 -0.312 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.587 -14.296 0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.944 -12.418 -0.606 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.125 -13.915 -1.550 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.396 -12.670 -1.604 1.00 0.00 H new ATOM 1037 N GLU A 65 -4.654 -12.738 2.348 1.00 0.00 N ATOM 1038 CA GLU A 65 -5.258 -11.821 3.299 1.00 0.00 C ATOM 1039 C GLU A 65 -4.376 -10.583 3.475 1.00 0.00 C ATOM 1040 O GLU A 65 -3.151 -10.687 3.500 1.00 0.00 O ATOM 1041 CB GLU A 65 -5.508 -12.510 4.641 1.00 0.00 C ATOM 1042 CG GLU A 65 -6.443 -11.675 5.520 1.00 0.00 C ATOM 1043 CD GLU A 65 -6.089 -11.833 7.000 1.00 0.00 C ATOM 1044 OE1 GLU A 65 -5.259 -11.074 7.524 1.00 0.00 O ATOM 1045 OE2 GLU A 65 -6.711 -12.783 7.611 1.00 0.00 O ATOM 0 H GLU A 65 -3.889 -13.299 2.723 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.223 -11.503 2.905 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.944 -13.495 4.473 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.560 -12.665 5.157 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.374 -10.625 5.236 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.475 -11.983 5.354 1.00 0.00 H new ATOM 1053 N GLY A 66 -5.035 -9.438 3.592 1.00 0.00 N ATOM 1054 CA GLY A 66 -4.327 -8.182 3.764 1.00 0.00 C ATOM 1055 C GLY A 66 -5.243 -7.115 4.368 1.00 0.00 C ATOM 1056 O GLY A 66 -6.465 -7.213 4.269 1.00 0.00 O ATOM 0 H GLY A 66 -6.051 -9.355 3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.463 -8.333 4.411 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.948 -7.839 2.801 1.00 0.00 H new ATOM 1060 N TYR A 67 -4.617 -6.121 4.980 1.00 0.00 N ATOM 1061 CA TYR A 67 -5.360 -5.037 5.599 1.00 0.00 C ATOM 1062 C TYR A 67 -5.313 -3.775 4.735 1.00 0.00 C ATOM 1063 O TYR A 67 -4.314 -3.514 4.065 1.00 0.00 O ATOM 1064 CB TYR A 67 -4.663 -4.754 6.931 1.00 0.00 C ATOM 1065 CG TYR A 67 -5.608 -4.298 8.044 1.00 0.00 C ATOM 1066 CD1 TYR A 67 -6.306 -3.114 7.915 1.00 0.00 C ATOM 1067 CD2 TYR A 67 -5.764 -5.071 9.177 1.00 0.00 C ATOM 1068 CE1 TYR A 67 -7.195 -2.685 8.963 1.00 0.00 C ATOM 1069 CE2 TYR A 67 -6.653 -4.642 10.225 1.00 0.00 C ATOM 1070 CZ TYR A 67 -7.325 -3.470 10.067 1.00 0.00 C ATOM 1071 OH TYR A 67 -8.165 -3.065 11.056 1.00 0.00 O ATOM 0 H TYR A 67 -3.603 -6.044 5.060 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.407 -5.313 5.725 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.144 -5.656 7.256 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.904 -3.987 6.776 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.185 -2.510 7.028 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.219 -5.998 9.277 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.747 -1.761 8.875 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.783 -5.237 11.117 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.642 -2.807 11.844 1.00 0.00 H new ATOM 1081 N ALA A 68 -6.405 -3.026 4.778 1.00 0.00 N ATOM 1082 CA ALA A 68 -6.500 -1.798 4.007 1.00 0.00 C ATOM 1083 C ALA A 68 -6.655 -0.612 4.961 1.00 0.00 C ATOM 1084 O ALA A 68 -7.187 -0.761 6.061 1.00 0.00 O ATOM 1085 CB ALA A 68 -7.662 -1.905 3.017 1.00 0.00 C ATOM 0 H ALA A 68 -7.231 -3.246 5.334 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.591 -1.638 3.427 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.733 -0.984 2.439 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.490 -2.744 2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.592 -2.063 3.563 1.00 0.00 H new ATOM 1091 N LYS A 69 -6.181 0.538 4.507 1.00 0.00 N ATOM 1092 CA LYS A 69 -6.259 1.749 5.306 1.00 0.00 C ATOM 1093 C LYS A 69 -6.701 2.914 4.418 1.00 0.00 C ATOM 1094 O LYS A 69 -6.320 2.988 3.251 1.00 0.00 O ATOM 1095 CB LYS A 69 -4.937 1.997 6.035 1.00 0.00 C ATOM 1096 CG LYS A 69 -4.990 3.298 6.839 1.00 0.00 C ATOM 1097 CD LYS A 69 -4.504 4.481 6.000 1.00 0.00 C ATOM 1098 CE LYS A 69 -2.995 4.681 6.156 1.00 0.00 C ATOM 1099 NZ LYS A 69 -2.547 5.868 5.395 1.00 0.00 N ATOM 0 H LYS A 69 -5.741 0.657 3.595 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.011 1.641 6.088 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.723 1.162 6.702 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.122 2.045 5.312 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.011 3.481 7.175 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.373 3.203 7.732 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.745 4.311 4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.028 5.387 6.305 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.746 4.802 7.210 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.467 3.795 5.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.849 6.397 5.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.113 5.563 4.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.364 6.479 5.193 1.00 0.00 H new ATOM 1112 N ILE A 70 -7.497 3.795 5.005 1.00 0.00 N ATOM 1113 CA ILE A 70 -7.994 4.953 4.282 1.00 0.00 C ATOM 1114 C ILE A 70 -7.922 6.184 5.187 1.00 0.00 C ATOM 1115 O ILE A 70 -8.348 6.137 6.341 1.00 0.00 O ATOM 1116 CB ILE A 70 -9.394 4.678 3.728 1.00 0.00 C ATOM 1117 CG1 ILE A 70 -9.349 3.616 2.628 1.00 0.00 C ATOM 1118 CG2 ILE A 70 -10.057 5.971 3.249 1.00 0.00 C ATOM 1119 CD1 ILE A 70 -10.681 2.869 2.533 1.00 0.00 C ATOM 0 H ILE A 70 -7.810 3.730 5.974 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.367 5.158 3.414 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.009 4.280 4.535 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.123 4.087 1.671 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.545 2.909 2.833 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.051 5.748 2.860 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -10.142 6.667 4.083 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -9.452 6.420 2.462 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.622 2.120 1.744 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.892 2.379 3.483 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -11.479 3.576 2.304 1.00 0.00 H new ATOM 1131 N TYR A 71 -7.379 7.258 4.631 1.00 0.00 N ATOM 1132 CA TYR A 71 -7.246 8.499 5.374 1.00 0.00 C ATOM 1133 C TYR A 71 -8.107 9.602 4.756 1.00 0.00 C ATOM 1134 O TYR A 71 -8.649 9.435 3.665 1.00 0.00 O ATOM 1135 CB TYR A 71 -5.773 8.898 5.267 1.00 0.00 C ATOM 1136 CG TYR A 71 -5.133 8.560 3.919 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -4.945 9.551 2.976 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -4.743 7.265 3.646 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -4.343 9.233 1.708 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -4.140 6.947 2.376 1.00 0.00 C ATOM 1141 CZ TYR A 71 -3.970 7.947 1.470 1.00 0.00 C ATOM 1142 OH TYR A 71 -3.401 7.647 0.272 1.00 0.00 O ATOM 0 H TYR A 71 -7.026 7.294 3.675 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.569 8.365 6.406 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.684 9.970 5.441 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.214 8.399 6.058 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.250 10.565 3.190 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.889 6.490 4.384 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.191 9.999 0.962 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.830 5.938 2.149 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.573 7.144 0.420 1.00 0.00 H new ATOM 1152 N ASN A 72 -8.205 10.707 5.481 1.00 0.00 N ATOM 1153 CA ASN A 72 -8.991 11.838 5.017 1.00 0.00 C ATOM 1154 C ASN A 72 -8.133 12.705 4.093 1.00 0.00 C ATOM 1155 O ASN A 72 -8.630 13.245 3.105 1.00 0.00 O ATOM 1156 CB ASN A 72 -9.448 12.708 6.191 1.00 0.00 C ATOM 1157 CG ASN A 72 -10.806 12.244 6.721 1.00 0.00 C ATOM 1158 OD1 ASN A 72 -11.856 12.635 6.240 1.00 0.00 O ATOM 1159 ND2 ASN A 72 -10.726 11.390 7.737 1.00 0.00 N ATOM 0 H ASN A 72 -7.754 10.843 6.385 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.864 11.450 4.493 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.708 12.665 6.990 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.514 13.749 5.873 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.577 11.021 8.162 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.814 11.103 8.092 1.00 0.00 H new ATOM 1166 N ASP A 73 -6.860 12.810 4.445 1.00 0.00 N ATOM 1167 CA ASP A 73 -5.930 13.601 3.658 1.00 0.00 C ATOM 1168 C ASP A 73 -4.505 13.106 3.912 1.00 0.00 C ATOM 1169 O ASP A 73 -4.205 12.593 4.989 1.00 0.00 O ATOM 1170 CB ASP A 73 -5.993 15.079 4.051 1.00 0.00 C ATOM 1171 CG ASP A 73 -6.376 15.344 5.509 1.00 0.00 C ATOM 1172 OD1 ASP A 73 -5.759 14.806 6.439 1.00 0.00 O ATOM 1173 OD2 ASP A 73 -7.367 16.154 5.674 1.00 0.00 O ATOM 0 H ASP A 73 -6.451 12.361 5.264 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.202 13.495 2.608 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.021 15.533 3.858 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.713 15.581 3.405 1.00 0.00 H new ATOM 1179 N GLU A 74 -3.664 13.277 2.902 1.00 0.00 N ATOM 1180 CA GLU A 74 -2.278 12.854 3.002 1.00 0.00 C ATOM 1181 C GLU A 74 -1.510 13.772 3.955 1.00 0.00 C ATOM 1182 O GLU A 74 -0.449 13.405 4.456 1.00 0.00 O ATOM 1183 CB GLU A 74 -1.615 12.815 1.624 1.00 0.00 C ATOM 1184 CG GLU A 74 -2.414 11.940 0.656 1.00 0.00 C ATOM 1185 CD GLU A 74 -2.016 12.223 -0.795 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -1.703 13.373 -1.139 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -2.037 11.197 -1.575 1.00 0.00 O ATOM 0 H GLU A 74 -3.916 13.703 2.010 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.256 11.842 3.407 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.537 13.826 1.225 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.600 12.429 1.716 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.243 10.888 0.885 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.480 12.126 0.787 1.00 0.00 H new ATOM 1195 N LYS A 75 -2.077 14.950 4.176 1.00 0.00 N ATOM 1196 CA LYS A 75 -1.459 15.923 5.059 1.00 0.00 C ATOM 1197 C LYS A 75 -1.235 15.289 6.433 1.00 0.00 C ATOM 1198 O LYS A 75 -0.185 15.482 7.047 1.00 0.00 O ATOM 1199 CB LYS A 75 -2.286 17.209 5.103 1.00 0.00 C ATOM 1200 CG LYS A 75 -2.361 17.860 3.721 1.00 0.00 C ATOM 1201 CD LYS A 75 -1.293 18.945 3.567 1.00 0.00 C ATOM 1202 CE LYS A 75 0.112 18.340 3.596 1.00 0.00 C ATOM 1203 NZ LYS A 75 1.081 19.246 2.940 1.00 0.00 N ATOM 0 H LYS A 75 -2.957 15.251 3.758 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.480 16.214 4.678 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.292 16.987 5.459 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.843 17.906 5.814 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.227 17.101 2.950 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.350 18.294 3.573 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.444 19.478 2.628 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.394 19.676 4.369 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.415 18.159 4.627 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.109 17.374 3.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.029 18.820 2.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.799 19.398 1.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.096 20.158 3.439 1.00 0.00 H new ATOM 1216 N ALA A 76 -2.238 14.546 6.877 1.00 0.00 N ATOM 1217 CA ALA A 76 -2.163 13.882 8.168 1.00 0.00 C ATOM 1218 C ALA A 76 -1.276 12.641 8.048 1.00 0.00 C ATOM 1219 O ALA A 76 -0.331 12.474 8.818 1.00 0.00 O ATOM 1220 CB ALA A 76 -3.575 13.545 8.650 1.00 0.00 C ATOM 0 H ALA A 76 -3.107 14.389 6.366 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.712 14.538 8.912 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.520 13.047 9.618 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.155 14.463 8.747 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.058 12.885 7.929 1.00 0.00 H new ATOM 1226 N MET A 77 -1.612 11.804 7.077 1.00 0.00 N ATOM 1227 CA MET A 77 -0.857 10.585 6.847 1.00 0.00 C ATOM 1228 C MET A 77 0.639 10.880 6.725 1.00 0.00 C ATOM 1229 O MET A 77 1.462 10.194 7.330 1.00 0.00 O ATOM 1230 CB MET A 77 -1.352 9.913 5.565 1.00 0.00 C ATOM 1231 CG MET A 77 -0.205 9.204 4.840 1.00 0.00 C ATOM 1232 SD MET A 77 -0.857 7.969 3.728 1.00 0.00 S ATOM 1233 CE MET A 77 -0.108 8.503 2.198 1.00 0.00 C ATOM 0 H MET A 77 -2.397 11.946 6.441 1.00 0.00 H new ATOM 0 HA MET A 77 -1.008 9.921 7.698 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.135 9.194 5.806 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.797 10.660 4.907 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.388 9.930 4.283 1.00 0.00 H new ATOM 0 HG3 MET A 77 0.461 8.737 5.565 1.00 0.00 H new ATOM 0 HE1 MET A 77 0.023 7.645 1.538 1.00 0.00 H new ATOM 0 HE2 MET A 77 -0.752 9.238 1.715 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.863 8.952 2.406 1.00 0.00 H new ATOM 1243 N ALA A 78 0.946 11.902 5.939 1.00 0.00 N ATOM 1244 CA ALA A 78 2.329 12.296 5.730 1.00 0.00 C ATOM 1245 C ALA A 78 3.003 12.513 7.085 1.00 0.00 C ATOM 1246 O ALA A 78 4.215 12.350 7.213 1.00 0.00 O ATOM 1247 CB ALA A 78 2.375 13.545 4.848 1.00 0.00 C ATOM 0 H ALA A 78 0.261 12.469 5.439 1.00 0.00 H new ATOM 0 HA ALA A 78 2.879 11.510 5.212 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.412 13.841 4.691 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.910 13.329 3.886 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.836 14.356 5.338 1.00 0.00 H new ATOM 1253 N THR A 79 2.188 12.877 8.065 1.00 0.00 N ATOM 1254 CA THR A 79 2.690 13.119 9.406 1.00 0.00 C ATOM 1255 C THR A 79 2.533 11.865 10.269 1.00 0.00 C ATOM 1256 O THR A 79 3.509 11.363 10.825 1.00 0.00 O ATOM 1257 CB THR A 79 1.962 14.340 9.971 1.00 0.00 C ATOM 1258 OG1 THR A 79 2.550 15.443 9.284 1.00 0.00 O ATOM 1259 CG2 THR A 79 2.301 14.596 11.442 1.00 0.00 C ATOM 0 H THR A 79 1.183 13.010 7.956 1.00 0.00 H new ATOM 0 HA THR A 79 3.758 13.336 9.395 1.00 0.00 H new ATOM 0 HB THR A 79 0.886 14.202 9.865 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.135 16.277 9.588 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.758 15.473 11.793 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.014 13.729 12.038 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.373 14.768 11.544 1.00 0.00 H new ATOM 1267 N ILE A 80 1.297 11.396 10.353 1.00 0.00 N ATOM 1268 CA ILE A 80 0.998 10.210 11.138 1.00 0.00 C ATOM 1269 C ILE A 80 2.110 9.178 10.938 1.00 0.00 C ATOM 1270 O ILE A 80 2.903 8.930 11.844 1.00 0.00 O ATOM 1271 CB ILE A 80 -0.399 9.683 10.803 1.00 0.00 C ATOM 1272 CG1 ILE A 80 -1.482 10.591 11.388 1.00 0.00 C ATOM 1273 CG2 ILE A 80 -0.560 8.231 11.257 1.00 0.00 C ATOM 1274 CD1 ILE A 80 -2.875 10.001 11.157 1.00 0.00 C ATOM 0 H ILE A 80 0.491 11.816 9.890 1.00 0.00 H new ATOM 0 HA ILE A 80 0.975 10.452 12.201 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.519 9.696 9.720 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.312 10.724 12.456 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.421 11.578 10.930 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.561 7.881 11.007 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.179 7.608 10.753 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.412 8.168 12.335 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.627 10.666 11.582 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.051 9.892 10.087 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.941 9.025 11.637 1.00 0.00 H new ATOM 1286 N GLU A 81 2.132 8.604 9.744 1.00 0.00 N ATOM 1287 CA GLU A 81 3.134 7.604 9.412 1.00 0.00 C ATOM 1288 C GLU A 81 4.338 8.263 8.739 1.00 0.00 C ATOM 1289 O GLU A 81 4.351 9.475 8.530 1.00 0.00 O ATOM 1290 CB GLU A 81 2.541 6.508 8.525 1.00 0.00 C ATOM 1291 CG GLU A 81 1.899 7.104 7.271 1.00 0.00 C ATOM 1292 CD GLU A 81 0.394 7.302 7.466 1.00 0.00 C ATOM 1293 OE1 GLU A 81 -0.021 8.088 8.331 1.00 0.00 O ATOM 1294 OE2 GLU A 81 -0.354 6.603 6.680 1.00 0.00 O ATOM 0 H GLU A 81 1.472 8.812 8.994 1.00 0.00 H new ATOM 0 HA GLU A 81 3.471 7.135 10.336 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.323 5.805 8.238 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.796 5.945 9.086 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.368 8.060 7.037 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.076 6.446 6.420 1.00 0.00 H new ATOM 1302 N THR A 82 5.323 7.436 8.417 1.00 0.00 N ATOM 1303 CA THR A 82 6.530 7.923 7.772 1.00 0.00 C ATOM 1304 C THR A 82 6.734 7.223 6.427 1.00 0.00 C ATOM 1305 O THR A 82 5.794 6.664 5.864 1.00 0.00 O ATOM 1306 CB THR A 82 7.696 7.728 8.742 1.00 0.00 C ATOM 1307 OG1 THR A 82 7.992 6.337 8.655 1.00 0.00 O ATOM 1308 CG2 THR A 82 7.285 7.931 10.201 1.00 0.00 C ATOM 0 H THR A 82 5.309 6.431 8.591 1.00 0.00 H new ATOM 0 HA THR A 82 6.455 8.986 7.542 1.00 0.00 H new ATOM 0 HB THR A 82 8.496 8.424 8.491 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.739 6.124 9.252 1.00 0.00 H new ATOM 0 HG21 THR A 82 8.150 7.781 10.847 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.904 8.944 10.334 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.507 7.213 10.463 1.00 0.00 H new ATOM 1316 N LYS A 83 7.969 7.277 5.950 1.00 0.00 N ATOM 1317 CA LYS A 83 8.310 6.655 4.681 1.00 0.00 C ATOM 1318 C LYS A 83 8.090 5.145 4.784 1.00 0.00 C ATOM 1319 O LYS A 83 8.048 4.450 3.769 1.00 0.00 O ATOM 1320 CB LYS A 83 9.728 7.043 4.258 1.00 0.00 C ATOM 1321 CG LYS A 83 10.760 6.082 4.852 1.00 0.00 C ATOM 1322 CD LYS A 83 10.800 6.194 6.377 1.00 0.00 C ATOM 1323 CE LYS A 83 11.453 7.508 6.814 1.00 0.00 C ATOM 1324 NZ LYS A 83 11.863 7.436 8.233 1.00 0.00 N ATOM 0 H LYS A 83 8.746 7.742 6.419 1.00 0.00 H new ATOM 0 HA LYS A 83 7.656 7.020 3.889 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.802 7.035 3.171 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.943 8.060 4.584 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.517 5.059 4.565 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.746 6.302 4.442 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.787 6.137 6.776 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.354 5.353 6.793 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.321 7.715 6.189 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.754 8.333 6.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.304 8.335 8.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.028 7.260 8.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.546 6.662 8.358 1.00 0.00 H new ATOM 1337 N SER A 84 7.956 4.680 6.017 1.00 0.00 N ATOM 1338 CA SER A 84 7.741 3.265 6.265 1.00 0.00 C ATOM 1339 C SER A 84 6.448 2.806 5.591 1.00 0.00 C ATOM 1340 O SER A 84 6.441 1.816 4.860 1.00 0.00 O ATOM 1341 CB SER A 84 7.692 2.970 7.766 1.00 0.00 C ATOM 1342 OG SER A 84 8.911 2.405 8.239 1.00 0.00 O ATOM 0 H SER A 84 7.992 5.259 6.856 1.00 0.00 H new ATOM 0 HA SER A 84 8.579 2.712 5.841 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.484 3.891 8.310 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.870 2.285 7.974 1.00 0.00 H new ATOM 0 HG SER A 84 8.840 2.233 9.201 1.00 0.00 H new ATOM 1348 N VAL A 85 5.382 3.546 5.861 1.00 0.00 N ATOM 1349 CA VAL A 85 4.085 3.226 5.289 1.00 0.00 C ATOM 1350 C VAL A 85 4.001 3.801 3.873 1.00 0.00 C ATOM 1351 O VAL A 85 3.500 3.144 2.962 1.00 0.00 O ATOM 1352 CB VAL A 85 2.970 3.733 6.206 1.00 0.00 C ATOM 1353 CG1 VAL A 85 1.650 3.866 5.443 1.00 0.00 C ATOM 1354 CG2 VAL A 85 2.809 2.825 7.427 1.00 0.00 C ATOM 0 H VAL A 85 5.390 4.366 6.468 1.00 0.00 H new ATOM 0 HA VAL A 85 3.958 2.146 5.210 1.00 0.00 H new ATOM 0 HB VAL A 85 3.253 4.724 6.561 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.874 4.228 6.118 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.774 4.571 4.621 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.360 2.893 5.045 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.010 3.208 8.062 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.560 1.816 7.099 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.742 2.804 7.990 1.00 0.00 H new ATOM 1364 N LEU A 86 4.499 5.020 3.734 1.00 0.00 N ATOM 1365 CA LEU A 86 4.486 5.690 2.445 1.00 0.00 C ATOM 1366 C LEU A 86 5.349 4.902 1.456 1.00 0.00 C ATOM 1367 O LEU A 86 5.223 5.072 0.244 1.00 0.00 O ATOM 1368 CB LEU A 86 4.908 7.153 2.597 1.00 0.00 C ATOM 1369 CG LEU A 86 3.844 8.104 3.149 1.00 0.00 C ATOM 1370 CD1 LEU A 86 2.714 7.327 3.826 1.00 0.00 C ATOM 1371 CD2 LEU A 86 4.468 9.141 4.086 1.00 0.00 C ATOM 0 H LEU A 86 4.914 5.561 4.492 1.00 0.00 H new ATOM 0 HA LEU A 86 3.475 5.714 2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.778 7.193 3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.226 7.522 1.622 1.00 0.00 H new ATOM 0 HG LEU A 86 3.405 8.649 2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.971 8.026 4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.246 6.661 3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.119 6.740 4.650 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.690 9.804 4.464 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.950 8.633 4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.209 9.725 3.540 1.00 0.00 H new ATOM 1383 N GLU A 87 6.205 4.057 2.011 1.00 0.00 N ATOM 1384 CA GLU A 87 7.087 3.242 1.194 1.00 0.00 C ATOM 1385 C GLU A 87 6.270 2.295 0.313 1.00 0.00 C ATOM 1386 O GLU A 87 6.446 2.266 -0.905 1.00 0.00 O ATOM 1387 CB GLU A 87 8.077 2.465 2.063 1.00 0.00 C ATOM 1388 CG GLU A 87 9.457 3.127 2.050 1.00 0.00 C ATOM 1389 CD GLU A 87 10.407 2.398 1.098 1.00 0.00 C ATOM 1390 OE1 GLU A 87 10.354 2.621 -0.121 1.00 0.00 O ATOM 1391 OE2 GLU A 87 11.221 1.575 1.665 1.00 0.00 O ATOM 0 H GLU A 87 6.306 3.919 3.017 1.00 0.00 H new ATOM 0 HA GLU A 87 7.664 3.903 0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.705 2.413 3.086 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.158 1.440 1.700 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.361 4.169 1.746 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.874 3.126 3.057 1.00 0.00 H new ATOM 1399 N LYS A 88 5.394 1.542 0.962 1.00 0.00 N ATOM 1400 CA LYS A 88 4.550 0.595 0.253 1.00 0.00 C ATOM 1401 C LYS A 88 3.803 1.324 -0.865 1.00 0.00 C ATOM 1402 O LYS A 88 3.556 0.753 -1.926 1.00 0.00 O ATOM 1403 CB LYS A 88 3.630 -0.139 1.231 1.00 0.00 C ATOM 1404 CG LYS A 88 2.546 0.795 1.772 1.00 0.00 C ATOM 1405 CD LYS A 88 2.521 0.777 3.302 1.00 0.00 C ATOM 1406 CE LYS A 88 2.009 -0.567 3.825 1.00 0.00 C ATOM 1407 NZ LYS A 88 1.834 -0.519 5.293 1.00 0.00 N ATOM 0 H LYS A 88 5.250 1.568 1.971 1.00 0.00 H new ATOM 0 HA LYS A 88 5.156 -0.178 -0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.166 -0.989 0.731 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.217 -0.538 2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.727 1.810 1.420 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.573 0.492 1.385 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.523 0.964 3.688 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.883 1.581 3.669 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.060 -0.812 3.348 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.712 -1.358 3.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.345 -1.380 5.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.765 -0.459 5.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.268 0.315 5.548 1.00 0.00 H new ATOM 1420 N ASN A 89 3.462 2.574 -0.589 1.00 0.00 N ATOM 1421 CA ASN A 89 2.748 3.387 -1.558 1.00 0.00 C ATOM 1422 C ASN A 89 3.752 4.215 -2.363 1.00 0.00 C ATOM 1423 O ASN A 89 4.925 4.299 -2.000 1.00 0.00 O ATOM 1424 CB ASN A 89 1.786 4.354 -0.865 1.00 0.00 C ATOM 1425 CG ASN A 89 0.897 5.069 -1.884 1.00 0.00 C ATOM 1426 OD1 ASN A 89 0.262 4.250 -2.717 1.00 0.00 O flip ATOM 1427 ND2 ASN A 89 0.796 6.285 -1.914 1.00 0.00 N flip ATOM 0 H ASN A 89 3.667 3.044 0.293 1.00 0.00 H new ATOM 0 HA ASN A 89 2.182 2.718 -2.206 1.00 0.00 H new ATOM 0 HB2 ASN A 89 1.165 3.808 -0.155 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.353 5.089 -0.293 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.312 6.856 -1.245 1.00 0.00 H new ATOM 0 HD22 ASN A 89 0.196 6.730 -2.608 1.00 0.00 H new ATOM 1434 N LYS A 90 3.256 4.806 -3.440 1.00 0.00 N ATOM 1435 CA LYS A 90 4.095 5.624 -4.297 1.00 0.00 C ATOM 1436 C LYS A 90 5.049 6.451 -3.433 1.00 0.00 C ATOM 1437 O LYS A 90 4.728 6.785 -2.294 1.00 0.00 O ATOM 1438 CB LYS A 90 3.235 6.466 -5.243 1.00 0.00 C ATOM 1439 CG LYS A 90 3.849 6.517 -6.643 1.00 0.00 C ATOM 1440 CD LYS A 90 2.919 7.236 -7.623 1.00 0.00 C ATOM 1441 CE LYS A 90 3.036 8.754 -7.477 1.00 0.00 C ATOM 1442 NZ LYS A 90 3.175 9.393 -8.804 1.00 0.00 N ATOM 0 H LYS A 90 2.283 4.734 -3.738 1.00 0.00 H new ATOM 0 HA LYS A 90 4.712 4.994 -4.939 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.231 6.046 -5.298 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.137 7.477 -4.848 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.810 7.030 -6.604 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.043 5.504 -6.996 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.166 6.945 -8.644 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.889 6.928 -7.444 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.155 9.145 -6.969 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.897 9.000 -6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.253 10.423 -8.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.029 9.032 -9.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.340 9.173 -9.384 1.00 0.00 H new ATOM 1455 N ILE A 91 6.203 6.757 -4.008 1.00 0.00 N ATOM 1456 CA ILE A 91 7.206 7.537 -3.304 1.00 0.00 C ATOM 1457 C ILE A 91 6.731 8.988 -3.192 1.00 0.00 C ATOM 1458 O ILE A 91 6.217 9.398 -2.153 1.00 0.00 O ATOM 1459 CB ILE A 91 8.571 7.387 -3.977 1.00 0.00 C ATOM 1460 CG1 ILE A 91 8.994 5.918 -4.038 1.00 0.00 C ATOM 1461 CG2 ILE A 91 9.622 8.258 -3.285 1.00 0.00 C ATOM 1462 CD1 ILE A 91 9.355 5.393 -2.647 1.00 0.00 C ATOM 0 H ILE A 91 6.465 6.479 -4.954 1.00 0.00 H new ATOM 0 HA ILE A 91 7.335 7.164 -2.288 1.00 0.00 H new ATOM 0 HB ILE A 91 8.486 7.740 -5.005 1.00 0.00 H new ATOM 0 HG12 ILE A 91 8.185 5.320 -4.458 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.849 5.810 -4.705 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.583 8.133 -3.783 1.00 0.00 H new ATOM 0 HG22 ILE A 91 9.320 9.304 -3.338 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.713 7.959 -2.241 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.652 4.347 -2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 91 10.180 5.977 -2.240 1.00 0.00 H new ATOM 0 HD13 ILE A 91 8.490 5.480 -1.989 1.00 0.00 H new ATOM 1474 N GLU A 92 6.920 9.724 -4.277 1.00 0.00 N ATOM 1475 CA GLU A 92 6.519 11.120 -4.314 1.00 0.00 C ATOM 1476 C GLU A 92 7.381 11.947 -3.359 1.00 0.00 C ATOM 1477 O GLU A 92 7.815 11.450 -2.320 1.00 0.00 O ATOM 1478 CB GLU A 92 5.033 11.271 -3.983 1.00 0.00 C ATOM 1479 CG GLU A 92 4.539 12.683 -4.307 1.00 0.00 C ATOM 1480 CD GLU A 92 3.320 12.639 -5.230 1.00 0.00 C ATOM 1481 OE1 GLU A 92 3.431 12.198 -6.383 1.00 0.00 O ATOM 1482 OE2 GLU A 92 2.226 13.082 -4.709 1.00 0.00 O ATOM 0 H GLU A 92 7.346 9.380 -5.138 1.00 0.00 H new ATOM 0 HA GLU A 92 6.673 11.495 -5.326 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.455 10.541 -4.549 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.869 11.058 -2.927 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.282 13.203 -3.384 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.339 13.252 -4.782 1.00 0.00 H new ATOM 1490 N GLU A 93 7.604 13.195 -3.744 1.00 0.00 N ATOM 1491 CA GLU A 93 8.407 14.096 -2.934 1.00 0.00 C ATOM 1492 C GLU A 93 7.540 15.230 -2.384 1.00 0.00 C ATOM 1493 O GLU A 93 6.355 15.318 -2.699 1.00 0.00 O ATOM 1494 CB GLU A 93 9.589 14.647 -3.734 1.00 0.00 C ATOM 1495 CG GLU A 93 9.110 15.327 -5.019 1.00 0.00 C ATOM 1496 CD GLU A 93 10.126 16.367 -5.497 1.00 0.00 C ATOM 1497 OE1 GLU A 93 11.077 16.020 -6.214 1.00 0.00 O ATOM 1498 OE2 GLU A 93 9.899 17.573 -5.101 1.00 0.00 O ATOM 0 H GLU A 93 7.243 13.604 -4.606 1.00 0.00 H new ATOM 0 HA GLU A 93 8.812 13.534 -2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.144 15.361 -3.125 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.275 13.837 -3.981 1.00 0.00 H new ATOM 0 HG2 GLU A 93 8.957 14.578 -5.796 1.00 0.00 H new ATOM 0 HG3 GLU A 93 8.147 15.807 -4.844 1.00 0.00 H new ATOM 1506 N GLU A 94 8.166 16.070 -1.572 1.00 0.00 N ATOM 1507 CA GLU A 94 7.466 17.195 -0.975 1.00 0.00 C ATOM 1508 C GLU A 94 7.650 18.449 -1.833 1.00 0.00 C ATOM 1509 O GLU A 94 7.897 18.353 -3.034 1.00 0.00 O ATOM 1510 CB GLU A 94 7.941 17.437 0.458 1.00 0.00 C ATOM 1511 CG GLU A 94 9.368 17.989 0.478 1.00 0.00 C ATOM 1512 CD GLU A 94 9.867 18.170 1.913 1.00 0.00 C ATOM 1513 OE1 GLU A 94 9.917 17.196 2.679 1.00 0.00 O ATOM 1514 OE2 GLU A 94 10.211 19.373 2.223 1.00 0.00 O ATOM 0 H GLU A 94 9.150 15.994 -1.314 1.00 0.00 H new ATOM 0 HA GLU A 94 6.403 16.958 -0.935 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.269 18.138 0.954 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.900 16.504 1.021 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.031 17.311 -0.058 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.399 18.945 -0.045 1.00 0.00 H new ATOM 1522 N ALA A 95 7.520 19.595 -1.183 1.00 0.00 N ATOM 1523 CA ALA A 95 7.669 20.866 -1.871 1.00 0.00 C ATOM 1524 C ALA A 95 6.554 21.012 -2.910 1.00 0.00 C ATOM 1525 O ALA A 95 6.771 20.767 -4.095 1.00 0.00 O ATOM 1526 CB ALA A 95 9.063 20.950 -2.496 1.00 0.00 C ATOM 0 H ALA A 95 7.313 19.671 -0.187 1.00 0.00 H new ATOM 0 HA ALA A 95 7.577 21.695 -1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.174 21.904 -3.012 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.818 20.871 -1.714 1.00 0.00 H new ATOM 0 HB3 ALA A 95 9.192 20.135 -3.208 1.00 0.00 H new ATOM 1532 N GLU A 96 5.387 21.411 -2.427 1.00 0.00 N ATOM 1533 CA GLU A 96 4.239 21.592 -3.298 1.00 0.00 C ATOM 1534 C GLU A 96 4.644 22.360 -4.558 1.00 0.00 C ATOM 1535 O GLU A 96 4.583 21.823 -5.663 1.00 0.00 O ATOM 1536 CB GLU A 96 3.100 22.304 -2.565 1.00 0.00 C ATOM 1537 CG GLU A 96 2.580 21.455 -1.404 1.00 0.00 C ATOM 1538 CD GLU A 96 1.406 22.143 -0.703 1.00 0.00 C ATOM 1539 OE1 GLU A 96 1.558 22.628 0.427 1.00 0.00 O ATOM 1540 OE2 GLU A 96 0.306 22.164 -1.377 1.00 0.00 O ATOM 0 H GLU A 96 5.212 21.614 -1.443 1.00 0.00 H new ATOM 0 HA GLU A 96 3.876 20.608 -3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.450 23.265 -2.189 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.287 22.511 -3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.265 20.479 -1.775 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.383 21.280 -0.688 1.00 0.00 H new ATOM 1548 N ALA A 97 5.049 23.604 -4.349 1.00 0.00 N ATOM 1549 CA ALA A 97 5.465 24.452 -5.454 1.00 0.00 C ATOM 1550 C ALA A 97 4.293 24.633 -6.421 1.00 0.00 C ATOM 1551 O ALA A 97 3.444 23.750 -6.544 1.00 0.00 O ATOM 1552 CB ALA A 97 6.692 23.839 -6.133 1.00 0.00 C ATOM 0 H ALA A 97 5.098 24.045 -3.431 1.00 0.00 H new ATOM 0 HA ALA A 97 5.751 25.440 -5.094 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.005 24.474 -6.962 1.00 0.00 H new ATOM 0 HB2 ALA A 97 7.505 23.758 -5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.442 22.847 -6.510 1.00 0.00 H new ATOM 1558 N GLU A 98 4.285 25.781 -7.081 1.00 0.00 N ATOM 1559 CA GLU A 98 3.231 26.088 -8.034 1.00 0.00 C ATOM 1560 C GLU A 98 3.605 27.321 -8.859 1.00 0.00 C ATOM 1561 O GLU A 98 3.923 27.207 -10.042 1.00 0.00 O ATOM 1562 CB GLU A 98 1.891 26.291 -7.322 1.00 0.00 C ATOM 1563 CG GLU A 98 0.722 25.967 -8.253 1.00 0.00 C ATOM 1564 CD GLU A 98 -0.615 26.095 -7.520 1.00 0.00 C ATOM 1565 OE1 GLU A 98 -1.259 25.078 -7.226 1.00 0.00 O ATOM 1566 OE2 GLU A 98 -0.979 27.304 -7.255 1.00 0.00 O ATOM 0 H GLU A 98 4.991 26.510 -6.975 1.00 0.00 H new ATOM 0 HA GLU A 98 3.121 25.241 -8.711 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.844 25.654 -6.438 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.811 27.322 -6.977 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.737 26.641 -9.110 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.832 24.955 -8.642 1.00 0.00 H new ATOM 1574 N VAL A 99 3.555 28.471 -8.203 1.00 0.00 N ATOM 1575 CA VAL A 99 3.885 29.724 -8.861 1.00 0.00 C ATOM 1576 C VAL A 99 4.824 30.534 -7.965 1.00 0.00 C ATOM 1577 O VAL A 99 4.442 30.944 -6.870 1.00 0.00 O ATOM 1578 CB VAL A 99 2.604 30.478 -9.221 1.00 0.00 C ATOM 1579 CG1 VAL A 99 1.824 29.745 -10.314 1.00 0.00 C ATOM 1580 CG2 VAL A 99 1.733 30.704 -7.984 1.00 0.00 C ATOM 0 H VAL A 99 3.291 28.561 -7.222 1.00 0.00 H new ATOM 0 HA VAL A 99 4.411 29.537 -9.797 1.00 0.00 H new ATOM 0 HB VAL A 99 2.890 31.455 -9.611 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.918 30.303 -10.551 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.442 29.661 -11.208 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.555 28.749 -9.963 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.829 31.242 -8.269 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.461 29.742 -7.550 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.288 31.289 -7.251 1.00 0.00 H new ATOM 1590 N ALA A 100 6.033 30.740 -8.464 1.00 0.00 N ATOM 1591 CA ALA A 100 7.031 31.494 -7.723 1.00 0.00 C ATOM 1592 C ALA A 100 8.347 31.495 -8.502 1.00 0.00 C ATOM 1593 O ALA A 100 8.445 30.883 -9.564 1.00 0.00 O ATOM 1594 CB ALA A 100 7.182 30.899 -6.321 1.00 0.00 C ATOM 0 H ALA A 100 6.345 30.398 -9.373 1.00 0.00 H new ATOM 0 HA ALA A 100 6.719 32.532 -7.605 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.930 31.464 -5.765 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.226 30.950 -5.799 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.497 29.858 -6.399 1.00 0.00 H new ATOM 1600 N GLU A 101 9.327 32.189 -7.943 1.00 0.00 N ATOM 1601 CA GLU A 101 10.635 32.278 -8.573 1.00 0.00 C ATOM 1602 C GLU A 101 11.734 31.941 -7.563 1.00 0.00 C ATOM 1603 O GLU A 101 11.468 31.820 -6.368 1.00 0.00 O ATOM 1604 CB GLU A 101 10.856 33.663 -9.183 1.00 0.00 C ATOM 1605 CG GLU A 101 12.005 33.639 -10.193 1.00 0.00 C ATOM 1606 CD GLU A 101 11.840 34.745 -11.238 1.00 0.00 C ATOM 1607 OE1 GLU A 101 11.301 34.494 -12.326 1.00 0.00 O ATOM 1608 OE2 GLU A 101 12.293 35.900 -10.886 1.00 0.00 O ATOM 0 H GLU A 101 9.243 32.695 -7.061 1.00 0.00 H new ATOM 0 HA GLU A 101 10.678 31.550 -9.383 1.00 0.00 H new ATOM 0 HB2 GLU A 101 9.942 33.998 -9.674 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.076 34.381 -8.393 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.954 33.765 -9.672 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.039 32.668 -10.688 1.00 0.00 H new ATOM 1616 N GLU A 102 12.945 31.800 -8.081 1.00 0.00 N ATOM 1617 CA GLU A 102 14.086 31.480 -7.239 1.00 0.00 C ATOM 1618 C GLU A 102 14.005 32.252 -5.920 1.00 0.00 C ATOM 1619 O GLU A 102 13.990 33.481 -5.916 1.00 0.00 O ATOM 1620 CB GLU A 102 15.400 31.771 -7.965 1.00 0.00 C ATOM 1621 CG GLU A 102 15.581 33.273 -8.192 1.00 0.00 C ATOM 1622 CD GLU A 102 16.652 33.845 -7.260 1.00 0.00 C ATOM 1623 OE1 GLU A 102 17.483 33.090 -6.734 1.00 0.00 O ATOM 1624 OE2 GLU A 102 16.602 35.123 -7.090 1.00 0.00 O ATOM 0 H GLU A 102 13.161 31.901 -9.073 1.00 0.00 H new ATOM 0 HA GLU A 102 14.061 30.414 -7.015 1.00 0.00 H new ATOM 0 HB2 GLU A 102 16.235 31.385 -7.381 1.00 0.00 H new ATOM 0 HB3 GLU A 102 15.413 31.251 -8.923 1.00 0.00 H new ATOM 0 HG2 GLU A 102 15.861 33.456 -9.229 1.00 0.00 H new ATOM 0 HG3 GLU A 102 14.635 33.786 -8.022 1.00 0.00 H new TER 1632 GLU A 102