USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 825 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 22 CYS SG : rot -154:sc= 0.826 USER MOD Set 1.2: A 43 ASN : amide:sc= 0.166 K(o=2.3,f=-1.7!) USER MOD Set 1.3: A 48 LYS NZ :NH3+ -116:sc= 1.26 (180deg=-0.209) USER MOD Set 2.1: A 1 MET N :NH3+ 177:sc= -0.189 (180deg=-0.0822) USER MOD Set 2.2: A 33 ASN : amide:sc= -1.01 K(o=-1.2,f=-0.02) USER MOD Set 3.1: A 17 ASN : amide:sc= 0.0451 X(o=0.11,f=0) USER MOD Set 3.2: A 18 SER OG : rot 180:sc= 0.0625 USER MOD Single : A 1 MET CE :methyl 151:sc= -0.861 (180deg=-1.82) USER MOD Single : A 3 ASN : amide:sc= -0.334 X(o=-0.33,f=-0.14) USER MOD Single : A 4 MET CE :methyl -128:sc= -3.64! (180deg=-8.79!) USER MOD Single : A 5 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.129) USER MOD Single : A 9 SER OG : rot 180:sc= 0.058 USER MOD Single : A 10 MET CE :methyl 179:sc= -2.55 (180deg=-2.55) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 116:sc= -0.102 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 105:sc= 0.82 USER MOD Single : A 36 LYS NZ :NH3+ -173:sc=-0.00194 (180deg=-0.0441) USER MOD Single : A 37 SER OG : rot -16:sc= 0.751 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 71:sc= 0.036 USER MOD Single : A 53 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0154) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 CYS SG : rot 26:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 163:sc= 0.8 (180deg=0.393) USER MOD Single : A 63 ASN : amide:sc= 0.415 X(o=0.41,f=-0.017) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.13) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 177:sc= 0.38 (180deg=0.356) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 147:sc= 0.011 USER MOD Single : A 74 LYS NZ :NH3+ 165:sc= -0.108 (180deg=-0.366) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.0553 K(o=-0.055,f=-1.6!) USER MOD Single : A 88 LYS NZ :NH3+ -147:sc= -0.167 (180deg=-0.228) USER MOD Single : A 89 ASN : amide:sc= 1.8 K(o=1.8,f=-6.2!) USER MOD Single : A 91 SER OG : rot -78:sc= 1.19 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 25 N MET A 1 16.309 -1.206 5.925 1.00 0.00 N ATOM 26 CA MET A 1 15.004 -1.608 6.418 1.00 0.00 C ATOM 27 C MET A 1 14.917 -3.116 6.292 1.00 0.00 C ATOM 28 O MET A 1 15.446 -3.695 5.346 1.00 0.00 O ATOM 29 CB MET A 1 13.889 -0.942 5.599 1.00 0.00 C ATOM 30 CG MET A 1 12.497 -1.384 6.054 1.00 0.00 C ATOM 31 SD MET A 1 12.172 -1.207 7.832 1.00 0.00 S ATOM 32 CE MET A 1 10.844 -2.418 8.086 1.00 0.00 C ATOM 0 H1 MET A 1 16.385 -0.169 5.949 1.00 0.00 H new ATOM 0 H2 MET A 1 17.050 -1.622 6.525 1.00 0.00 H new ATOM 0 H3 MET A 1 16.428 -1.539 4.947 1.00 0.00 H new ATOM 0 HA MET A 1 14.879 -1.299 7.456 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.972 0.141 5.688 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.019 -1.186 4.545 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.753 -0.807 5.506 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.357 -2.429 5.778 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.889 -2.799 9.106 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.879 -1.940 7.919 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.966 -3.244 7.385 1.00 0.00 H new ATOM 42 N ILE A 2 14.230 -3.722 7.241 1.00 0.00 N ATOM 43 CA ILE A 2 14.011 -5.143 7.384 1.00 0.00 C ATOM 44 C ILE A 2 12.668 -5.486 6.737 1.00 0.00 C ATOM 45 O ILE A 2 12.207 -4.776 5.846 1.00 0.00 O ATOM 46 CB ILE A 2 14.200 -5.593 8.858 1.00 0.00 C ATOM 47 CG1 ILE A 2 15.200 -4.747 9.683 1.00 0.00 C ATOM 48 CG2 ILE A 2 14.593 -7.082 8.901 1.00 0.00 C ATOM 49 CD1 ILE A 2 16.650 -4.751 9.177 1.00 0.00 C ATOM 0 H ILE A 2 13.778 -3.192 7.986 1.00 0.00 H new ATOM 0 HA ILE A 2 14.763 -5.727 6.853 1.00 0.00 H new ATOM 0 HB ILE A 2 13.235 -5.432 9.339 1.00 0.00 H new ATOM 0 HG12 ILE A 2 14.845 -3.717 9.705 1.00 0.00 H new ATOM 0 HG13 ILE A 2 15.192 -5.109 10.711 1.00 0.00 H new ATOM 0 HG21 ILE A 2 14.725 -7.394 9.937 1.00 0.00 H new ATOM 0 HG22 ILE A 2 13.807 -7.679 8.439 1.00 0.00 H new ATOM 0 HG23 ILE A 2 15.526 -7.228 8.357 1.00 0.00 H new ATOM 0 HD11 ILE A 2 17.264 -4.128 9.827 1.00 0.00 H new ATOM 0 HD12 ILE A 2 17.035 -5.771 9.183 1.00 0.00 H new ATOM 0 HD13 ILE A 2 16.682 -4.357 8.161 1.00 0.00 H new ATOM 61 N ASN A 3 12.119 -6.642 7.092 1.00 0.00 N ATOM 62 CA ASN A 3 10.912 -7.257 6.576 1.00 0.00 C ATOM 63 C ASN A 3 9.738 -6.277 6.653 1.00 0.00 C ATOM 64 O ASN A 3 9.089 -6.142 7.688 1.00 0.00 O ATOM 65 CB ASN A 3 10.636 -8.490 7.436 1.00 0.00 C ATOM 66 CG ASN A 3 9.584 -9.392 6.821 1.00 0.00 C ATOM 67 OD1 ASN A 3 8.379 -9.179 6.860 1.00 0.00 O ATOM 68 ND2 ASN A 3 10.029 -10.472 6.226 1.00 0.00 N ATOM 0 H ASN A 3 12.550 -7.221 7.813 1.00 0.00 H new ATOM 0 HA ASN A 3 11.036 -7.535 5.529 1.00 0.00 H new ATOM 0 HB2 ASN A 3 11.560 -9.052 7.570 1.00 0.00 H new ATOM 0 HB3 ASN A 3 10.308 -8.174 8.426 1.00 0.00 H new ATOM 0 HD21 ASN A 3 9.373 -11.127 5.800 1.00 0.00 H new ATOM 0 HD22 ASN A 3 11.031 -10.657 6.189 1.00 0.00 H new ATOM 75 N MET A 4 9.523 -5.542 5.567 1.00 0.00 N ATOM 76 CA MET A 4 8.411 -4.612 5.378 1.00 0.00 C ATOM 77 C MET A 4 7.464 -5.192 4.330 1.00 0.00 C ATOM 78 O MET A 4 7.886 -5.858 3.377 1.00 0.00 O ATOM 79 CB MET A 4 8.918 -3.211 4.967 1.00 0.00 C ATOM 80 CG MET A 4 7.866 -2.092 5.098 1.00 0.00 C ATOM 81 SD MET A 4 8.307 -0.635 6.097 1.00 0.00 S ATOM 82 CE MET A 4 9.526 0.295 5.107 1.00 0.00 C ATOM 0 H MET A 4 10.144 -5.578 4.759 1.00 0.00 H new ATOM 0 HA MET A 4 7.875 -4.487 6.319 1.00 0.00 H new ATOM 0 HB2 MET A 4 9.782 -2.955 5.581 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.262 -3.251 3.934 1.00 0.00 H new ATOM 0 HG2 MET A 4 7.614 -1.748 4.095 1.00 0.00 H new ATOM 0 HG3 MET A 4 6.962 -2.529 5.521 1.00 0.00 H new ATOM 0 HE1 MET A 4 10.409 0.496 5.713 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.811 -0.293 4.235 1.00 0.00 H new ATOM 0 HE3 MET A 4 9.087 1.238 4.781 1.00 0.00 H new ATOM 92 N LYS A 5 6.177 -4.886 4.483 1.00 0.00 N ATOM 93 CA LYS A 5 5.111 -5.198 3.539 1.00 0.00 C ATOM 94 C LYS A 5 4.326 -3.925 3.333 1.00 0.00 C ATOM 95 O LYS A 5 3.901 -3.336 4.328 1.00 0.00 O ATOM 96 CB LYS A 5 4.184 -6.270 4.116 1.00 0.00 C ATOM 97 CG LYS A 5 4.718 -7.681 3.896 1.00 0.00 C ATOM 98 CD LYS A 5 4.242 -8.606 5.026 1.00 0.00 C ATOM 99 CE LYS A 5 3.894 -9.995 4.509 1.00 0.00 C ATOM 100 NZ LYS A 5 4.969 -10.597 3.695 1.00 0.00 N ATOM 0 H LYS A 5 5.836 -4.391 5.307 1.00 0.00 H new ATOM 0 HA LYS A 5 5.526 -5.574 2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.053 -6.097 5.184 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.200 -6.181 3.656 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.375 -8.062 2.934 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.807 -7.665 3.863 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.021 -8.685 5.784 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.369 -8.169 5.510 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.679 -10.648 5.355 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.984 -9.936 3.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.775 -11.609 3.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.011 -10.124 2.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.880 -10.483 4.184 1.00 0.00 H new ATOM 114 N VAL A 6 4.091 -3.535 2.088 1.00 0.00 N ATOM 115 CA VAL A 6 3.227 -2.414 1.759 1.00 0.00 C ATOM 116 C VAL A 6 2.351 -2.813 0.600 1.00 0.00 C ATOM 117 O VAL A 6 2.860 -3.358 -0.374 1.00 0.00 O ATOM 118 CB VAL A 6 4.066 -1.164 1.454 1.00 0.00 C ATOM 119 CG1 VAL A 6 3.272 -0.059 0.748 1.00 0.00 C ATOM 120 CG2 VAL A 6 4.605 -0.608 2.767 1.00 0.00 C ATOM 0 H VAL A 6 4.499 -3.992 1.273 1.00 0.00 H new ATOM 0 HA VAL A 6 2.589 -2.160 2.605 1.00 0.00 H new ATOM 0 HB VAL A 6 4.866 -1.470 0.779 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.923 0.795 0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.888 -0.436 -0.200 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.439 0.251 1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.204 0.281 2.567 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.773 -0.346 3.420 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.225 -1.361 3.254 1.00 0.00 H new ATOM 130 N ALA A 7 1.053 -2.543 0.718 1.00 0.00 N ATOM 131 CA ALA A 7 0.102 -2.708 -0.363 1.00 0.00 C ATOM 132 C ALA A 7 0.028 -1.369 -1.102 1.00 0.00 C ATOM 133 O ALA A 7 -0.430 -0.382 -0.528 1.00 0.00 O ATOM 134 CB ALA A 7 -1.251 -3.156 0.211 1.00 0.00 C ATOM 0 H ALA A 7 0.633 -2.199 1.582 1.00 0.00 H new ATOM 0 HA ALA A 7 0.404 -3.481 -1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.967 -3.281 -0.601 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.128 -4.104 0.735 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.619 -2.402 0.907 1.00 0.00 H new ATOM 140 N ILE A 8 0.519 -1.306 -2.338 1.00 0.00 N ATOM 141 CA ILE A 8 0.282 -0.186 -3.249 1.00 0.00 C ATOM 142 C ILE A 8 -0.948 -0.563 -4.060 1.00 0.00 C ATOM 143 O ILE A 8 -0.961 -1.620 -4.695 1.00 0.00 O ATOM 144 CB ILE A 8 1.486 0.076 -4.181 1.00 0.00 C ATOM 145 CG1 ILE A 8 2.779 0.277 -3.369 1.00 0.00 C ATOM 146 CG2 ILE A 8 1.208 1.319 -5.057 1.00 0.00 C ATOM 147 CD1 ILE A 8 4.038 0.377 -4.234 1.00 0.00 C ATOM 0 H ILE A 8 1.100 -2.041 -2.741 1.00 0.00 H new ATOM 0 HA ILE A 8 0.137 0.737 -2.687 1.00 0.00 H new ATOM 0 HB ILE A 8 1.622 -0.795 -4.823 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.686 1.184 -2.772 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.893 -0.553 -2.672 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.060 1.500 -5.713 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.316 1.147 -5.660 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.052 2.187 -4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.909 0.518 -3.594 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.156 -0.540 -4.811 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.946 1.224 -4.913 1.00 0.00 H new ATOM 159 N SER A 9 -1.981 0.270 -4.042 1.00 0.00 N ATOM 160 CA SER A 9 -3.147 0.074 -4.895 1.00 0.00 C ATOM 161 C SER A 9 -2.805 0.425 -6.356 1.00 0.00 C ATOM 162 O SER A 9 -2.246 1.491 -6.623 1.00 0.00 O ATOM 163 CB SER A 9 -4.315 0.855 -4.280 1.00 0.00 C ATOM 164 OG SER A 9 -3.955 2.114 -3.740 1.00 0.00 O ATOM 0 H SER A 9 -2.035 1.093 -3.442 1.00 0.00 H new ATOM 0 HA SER A 9 -3.459 -0.970 -4.940 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.078 1.005 -5.044 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.766 0.251 -3.493 1.00 0.00 H new ATOM 0 HG SER A 9 -4.750 2.551 -3.370 1.00 0.00 H new ATOM 170 N MET A 10 -3.078 -0.477 -7.312 1.00 0.00 N ATOM 171 CA MET A 10 -2.675 -0.367 -8.717 1.00 0.00 C ATOM 172 C MET A 10 -3.856 -0.621 -9.647 1.00 0.00 C ATOM 173 O MET A 10 -4.823 -1.291 -9.274 1.00 0.00 O ATOM 174 CB MET A 10 -1.569 -1.384 -9.057 1.00 0.00 C ATOM 175 CG MET A 10 -0.327 -1.272 -8.165 1.00 0.00 C ATOM 176 SD MET A 10 1.279 -1.394 -8.995 1.00 0.00 S ATOM 177 CE MET A 10 1.167 -0.099 -10.262 1.00 0.00 C ATOM 0 H MET A 10 -3.603 -1.330 -7.119 1.00 0.00 H new ATOM 0 HA MET A 10 -2.302 0.647 -8.861 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.976 -2.391 -8.971 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.271 -1.248 -10.097 1.00 0.00 H new ATOM 0 HG2 MET A 10 -0.368 -0.317 -7.641 1.00 0.00 H new ATOM 0 HG3 MET A 10 -0.380 -2.054 -7.407 1.00 0.00 H new ATOM 0 HE1 MET A 10 2.098 -0.061 -10.827 1.00 0.00 H new ATOM 0 HE2 MET A 10 0.341 -0.322 -10.938 1.00 0.00 H new ATOM 0 HE3 MET A 10 0.994 0.865 -9.783 1.00 0.00 H new ATOM 187 N ASP A 11 -3.758 -0.094 -10.869 1.00 0.00 N ATOM 188 CA ASP A 11 -4.777 -0.233 -11.914 1.00 0.00 C ATOM 189 C ASP A 11 -4.315 -1.256 -12.950 1.00 0.00 C ATOM 190 O ASP A 11 -4.824 -2.375 -13.009 1.00 0.00 O ATOM 191 CB ASP A 11 -5.072 1.148 -12.533 1.00 0.00 C ATOM 192 CG ASP A 11 -6.489 1.224 -13.099 1.00 0.00 C ATOM 193 OD1 ASP A 11 -6.768 0.582 -14.136 1.00 0.00 O ATOM 194 OD2 ASP A 11 -7.294 1.932 -12.456 1.00 0.00 O ATOM 0 H ASP A 11 -2.951 0.453 -11.167 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.710 -0.604 -11.489 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.941 1.921 -11.776 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.352 1.352 -13.326 1.00 0.00 H new ATOM 199 N VAL A 12 -3.300 -0.911 -13.738 1.00 0.00 N ATOM 200 CA VAL A 12 -2.777 -1.778 -14.786 1.00 0.00 C ATOM 201 C VAL A 12 -1.284 -1.547 -14.909 1.00 0.00 C ATOM 202 O VAL A 12 -0.529 -2.513 -14.878 1.00 0.00 O ATOM 203 CB VAL A 12 -3.478 -1.448 -16.130 1.00 0.00 C ATOM 204 CG1 VAL A 12 -2.878 -2.226 -17.305 1.00 0.00 C ATOM 205 CG2 VAL A 12 -4.990 -1.701 -16.158 1.00 0.00 C ATOM 0 H VAL A 12 -2.816 -0.016 -13.666 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.966 -2.822 -14.538 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.306 -0.376 -16.228 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.402 -1.960 -18.223 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.822 -1.976 -17.405 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.982 -3.296 -17.124 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.385 -1.439 -17.140 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.186 -2.754 -15.957 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.475 -1.090 -15.397 1.00 0.00 H new ATOM 215 N ASP A 13 -0.845 -0.287 -14.961 1.00 0.00 N ATOM 216 CA ASP A 13 0.567 0.045 -15.164 1.00 0.00 C ATOM 217 C ASP A 13 0.945 1.338 -14.422 1.00 0.00 C ATOM 218 O ASP A 13 1.929 2.005 -14.742 1.00 0.00 O ATOM 219 CB ASP A 13 0.814 0.147 -16.693 1.00 0.00 C ATOM 220 CG ASP A 13 1.719 -0.935 -17.281 1.00 0.00 C ATOM 221 OD1 ASP A 13 1.395 -2.142 -17.149 1.00 0.00 O ATOM 222 OD2 ASP A 13 2.685 -0.595 -17.982 1.00 0.00 O ATOM 0 H ASP A 13 -1.453 0.526 -14.864 1.00 0.00 H new ATOM 0 HA ASP A 13 1.207 -0.733 -14.747 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.148 0.110 -17.203 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.252 1.121 -16.910 1.00 0.00 H new ATOM 227 N LYS A 14 0.124 1.761 -13.454 1.00 0.00 N ATOM 228 CA LYS A 14 0.405 2.866 -12.535 1.00 0.00 C ATOM 229 C LYS A 14 -0.503 2.743 -11.314 1.00 0.00 C ATOM 230 O LYS A 14 -1.385 1.874 -11.278 1.00 0.00 O ATOM 231 CB LYS A 14 0.280 4.239 -13.236 1.00 0.00 C ATOM 232 CG LYS A 14 -1.048 4.483 -13.962 1.00 0.00 C ATOM 233 CD LYS A 14 -0.983 5.767 -14.803 1.00 0.00 C ATOM 234 CE LYS A 14 -1.996 6.792 -14.292 1.00 0.00 C ATOM 235 NZ LYS A 14 -2.017 8.000 -15.138 1.00 0.00 N ATOM 0 H LYS A 14 -0.784 1.328 -13.285 1.00 0.00 H new ATOM 0 HA LYS A 14 1.440 2.803 -12.200 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.418 5.023 -12.491 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.093 4.337 -13.956 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.277 3.633 -14.605 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.856 4.560 -13.235 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.022 6.187 -14.760 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.187 5.535 -15.848 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.989 6.344 -14.271 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.750 7.069 -13.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.715 8.674 -14.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.075 8.441 -15.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.276 7.738 -16.111 1.00 0.00 H new ATOM 249 N ILE A 15 -0.252 3.596 -10.320 1.00 0.00 N ATOM 250 CA ILE A 15 -0.991 3.679 -9.064 1.00 0.00 C ATOM 251 C ILE A 15 -2.476 3.890 -9.403 1.00 0.00 C ATOM 252 O ILE A 15 -2.803 4.639 -10.332 1.00 0.00 O ATOM 253 CB ILE A 15 -0.369 4.808 -8.192 1.00 0.00 C ATOM 254 CG1 ILE A 15 1.120 4.511 -7.892 1.00 0.00 C ATOM 255 CG2 ILE A 15 -1.141 4.993 -6.880 1.00 0.00 C ATOM 256 CD1 ILE A 15 1.826 5.519 -6.974 1.00 0.00 C ATOM 0 H ILE A 15 0.506 4.277 -10.373 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.923 2.765 -8.474 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.438 5.735 -8.761 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.190 3.522 -7.438 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.661 4.467 -8.837 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.680 5.789 -6.296 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.175 5.257 -7.101 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.118 4.064 -6.310 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.863 5.216 -6.830 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.797 6.509 -7.430 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.320 5.549 -6.009 1.00 0.00 H new ATOM 268 N SER A 16 -3.382 3.217 -8.690 1.00 0.00 N ATOM 269 CA SER A 16 -4.809 3.392 -8.918 1.00 0.00 C ATOM 270 C SER A 16 -5.289 4.735 -8.377 1.00 0.00 C ATOM 271 O SER A 16 -4.608 5.399 -7.591 1.00 0.00 O ATOM 272 CB SER A 16 -5.615 2.278 -8.266 1.00 0.00 C ATOM 273 OG SER A 16 -5.513 2.347 -6.863 1.00 0.00 O ATOM 0 H SER A 16 -3.149 2.550 -7.954 1.00 0.00 H new ATOM 0 HA SER A 16 -4.965 3.360 -9.996 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.661 2.356 -8.564 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.256 1.310 -8.615 1.00 0.00 H new ATOM 0 HG SER A 16 -6.394 2.539 -6.480 1.00 0.00 H new ATOM 279 N ASN A 17 -6.510 5.101 -8.750 1.00 0.00 N ATOM 280 CA ASN A 17 -7.117 6.321 -8.267 1.00 0.00 C ATOM 281 C ASN A 17 -7.512 6.180 -6.798 1.00 0.00 C ATOM 282 O ASN A 17 -7.189 7.040 -5.981 1.00 0.00 O ATOM 283 CB ASN A 17 -8.308 6.682 -9.150 1.00 0.00 C ATOM 284 CG ASN A 17 -8.582 8.161 -9.022 1.00 0.00 C ATOM 285 OD1 ASN A 17 -8.087 8.934 -9.843 1.00 0.00 O ATOM 286 ND2 ASN A 17 -9.284 8.577 -7.988 1.00 0.00 N ATOM 0 H ASN A 17 -7.096 4.563 -9.389 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.396 7.136 -8.324 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.098 6.426 -10.189 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.186 6.109 -8.851 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.436 9.575 -7.843 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.676 7.901 -7.332 1.00 0.00 H new ATOM 293 N SER A 18 -8.151 5.078 -6.406 1.00 0.00 N ATOM 294 CA SER A 18 -8.641 4.903 -5.036 1.00 0.00 C ATOM 295 C SER A 18 -8.335 3.463 -4.590 1.00 0.00 C ATOM 296 O SER A 18 -7.982 2.629 -5.422 1.00 0.00 O ATOM 297 CB SER A 18 -10.076 5.449 -4.898 1.00 0.00 C ATOM 298 OG SER A 18 -10.460 6.231 -6.019 1.00 0.00 O ATOM 0 H SER A 18 -8.343 4.287 -7.021 1.00 0.00 H new ATOM 0 HA SER A 18 -8.116 5.514 -4.302 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.770 4.617 -4.782 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.148 6.053 -3.993 1.00 0.00 H new ATOM 0 HG SER A 18 -11.376 6.557 -5.893 1.00 0.00 H new ATOM 304 N PHE A 19 -8.345 3.172 -3.286 1.00 0.00 N ATOM 305 CA PHE A 19 -8.057 1.826 -2.773 1.00 0.00 C ATOM 306 C PHE A 19 -9.201 0.900 -3.186 1.00 0.00 C ATOM 307 O PHE A 19 -8.975 -0.193 -3.688 1.00 0.00 O ATOM 308 CB PHE A 19 -7.880 1.868 -1.241 1.00 0.00 C ATOM 309 CG PHE A 19 -7.762 0.516 -0.551 1.00 0.00 C ATOM 310 CD1 PHE A 19 -8.935 -0.217 -0.263 1.00 0.00 C ATOM 311 CD2 PHE A 19 -6.506 0.007 -0.145 1.00 0.00 C ATOM 312 CE1 PHE A 19 -8.858 -1.441 0.419 1.00 0.00 C ATOM 313 CE2 PHE A 19 -6.434 -1.232 0.511 1.00 0.00 C ATOM 314 CZ PHE A 19 -7.605 -1.948 0.802 1.00 0.00 C ATOM 0 H PHE A 19 -8.551 3.857 -2.559 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.125 1.447 -3.193 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.987 2.450 -1.013 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.727 2.402 -0.811 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.897 0.167 -0.570 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.605 0.570 -0.339 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.759 -1.991 0.649 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.473 -1.636 0.793 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.543 -2.892 1.322 1.00 0.00 H new ATOM 324 N GLU A 20 -10.439 1.368 -3.001 1.00 0.00 N ATOM 325 CA GLU A 20 -11.637 0.684 -3.482 1.00 0.00 C ATOM 326 C GLU A 20 -11.666 0.656 -5.004 1.00 0.00 C ATOM 327 O GLU A 20 -12.134 -0.318 -5.584 1.00 0.00 O ATOM 328 CB GLU A 20 -12.877 1.414 -2.942 1.00 0.00 C ATOM 329 CG GLU A 20 -13.396 0.758 -1.668 1.00 0.00 C ATOM 330 CD GLU A 20 -14.496 -0.254 -1.934 1.00 0.00 C ATOM 331 OE1 GLU A 20 -15.644 0.150 -2.214 1.00 0.00 O ATOM 332 OE2 GLU A 20 -14.254 -1.458 -1.715 1.00 0.00 O ATOM 0 H GLU A 20 -10.637 2.239 -2.509 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.630 -0.346 -3.127 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.629 2.456 -2.742 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.661 1.413 -3.699 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.570 0.264 -1.157 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.772 1.529 -0.995 1.00 0.00 H new ATOM 339 N ASP A 21 -11.137 1.702 -5.640 1.00 0.00 N ATOM 340 CA ASP A 21 -11.158 1.882 -7.084 1.00 0.00 C ATOM 341 C ASP A 21 -9.749 1.627 -7.606 1.00 0.00 C ATOM 342 O ASP A 21 -9.074 2.496 -8.171 1.00 0.00 O ATOM 343 CB ASP A 21 -11.766 3.241 -7.467 1.00 0.00 C ATOM 344 CG ASP A 21 -12.682 3.093 -8.682 1.00 0.00 C ATOM 345 OD1 ASP A 21 -12.350 2.344 -9.634 1.00 0.00 O ATOM 346 OD2 ASP A 21 -13.803 3.646 -8.640 1.00 0.00 O ATOM 0 H ASP A 21 -10.671 2.465 -5.148 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.817 1.163 -7.570 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.330 3.644 -6.626 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.971 3.953 -7.688 1.00 0.00 H new ATOM 351 N CYS A 22 -9.280 0.416 -7.308 1.00 0.00 N ATOM 352 CA CYS A 22 -8.103 -0.192 -7.891 1.00 0.00 C ATOM 353 C CYS A 22 -8.514 -1.496 -8.558 1.00 0.00 C ATOM 354 O CYS A 22 -9.663 -1.933 -8.464 1.00 0.00 O ATOM 355 CB CYS A 22 -7.002 -0.401 -6.834 1.00 0.00 C ATOM 356 SG CYS A 22 -7.307 -1.822 -5.761 1.00 0.00 S ATOM 0 H CYS A 22 -9.736 -0.187 -6.623 1.00 0.00 H new ATOM 0 HA CYS A 22 -7.676 0.471 -8.644 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -6.044 -0.533 -7.337 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -6.919 0.497 -6.222 1.00 0.00 H new ATOM 0 HG CYS A 22 -6.715 -1.638 -4.618 1.00 0.00 H new ATOM 362 N LYS A 23 -7.555 -2.133 -9.214 1.00 0.00 N ATOM 363 CA LYS A 23 -7.723 -3.448 -9.804 1.00 0.00 C ATOM 364 C LYS A 23 -7.018 -4.483 -8.946 1.00 0.00 C ATOM 365 O LYS A 23 -7.502 -5.606 -8.831 1.00 0.00 O ATOM 366 CB LYS A 23 -7.109 -3.434 -11.199 1.00 0.00 C ATOM 367 CG LYS A 23 -7.984 -2.801 -12.293 1.00 0.00 C ATOM 368 CD LYS A 23 -8.627 -1.442 -11.981 1.00 0.00 C ATOM 369 CE LYS A 23 -9.256 -0.870 -13.249 1.00 0.00 C ATOM 370 NZ LYS A 23 -10.498 -1.574 -13.616 1.00 0.00 N ATOM 0 H LYS A 23 -6.623 -1.742 -9.352 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.782 -3.700 -9.865 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.162 -2.895 -11.156 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.880 -4.460 -11.488 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.374 -2.688 -13.189 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.781 -3.504 -12.536 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.385 -1.556 -11.206 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.876 -0.754 -11.593 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.469 0.189 -13.102 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.543 -0.940 -14.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.892 -1.154 -14.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.291 -2.580 -13.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.188 -1.486 -12.843 1.00 0.00 H new ATOM 384 N TYR A 24 -5.881 -4.131 -8.346 1.00 0.00 N ATOM 385 CA TYR A 24 -5.156 -5.022 -7.469 1.00 0.00 C ATOM 386 C TYR A 24 -4.286 -4.229 -6.502 1.00 0.00 C ATOM 387 O TYR A 24 -4.097 -3.023 -6.651 1.00 0.00 O ATOM 388 CB TYR A 24 -4.321 -5.991 -8.318 1.00 0.00 C ATOM 389 CG TYR A 24 -3.075 -5.410 -8.955 1.00 0.00 C ATOM 390 CD1 TYR A 24 -3.106 -4.796 -10.224 1.00 0.00 C ATOM 391 CD2 TYR A 24 -1.845 -5.564 -8.295 1.00 0.00 C ATOM 392 CE1 TYR A 24 -1.911 -4.352 -10.833 1.00 0.00 C ATOM 393 CE2 TYR A 24 -0.664 -5.114 -8.852 1.00 0.00 C ATOM 394 CZ TYR A 24 -0.676 -4.521 -10.133 1.00 0.00 C ATOM 395 OH TYR A 24 0.521 -4.147 -10.654 1.00 0.00 O ATOM 0 H TYR A 24 -5.444 -3.216 -8.461 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.858 -5.601 -6.868 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.026 -6.832 -7.690 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.956 -6.391 -9.108 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.049 -4.664 -10.734 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.822 -6.046 -7.329 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -1.930 -3.893 -11.810 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.265 -5.215 -8.310 1.00 0.00 H new ATOM 0 HH TYR A 24 0.827 -3.326 -10.215 1.00 0.00 H new ATOM 405 N PHE A 25 -3.723 -4.932 -5.527 1.00 0.00 N ATOM 406 CA PHE A 25 -2.807 -4.423 -4.532 1.00 0.00 C ATOM 407 C PHE A 25 -1.479 -5.119 -4.746 1.00 0.00 C ATOM 408 O PHE A 25 -1.389 -6.346 -4.635 1.00 0.00 O ATOM 409 CB PHE A 25 -3.354 -4.700 -3.137 1.00 0.00 C ATOM 410 CG PHE A 25 -4.713 -4.086 -2.903 1.00 0.00 C ATOM 411 CD1 PHE A 25 -4.843 -2.693 -2.766 1.00 0.00 C ATOM 412 CD2 PHE A 25 -5.851 -4.909 -2.902 1.00 0.00 C ATOM 413 CE1 PHE A 25 -6.123 -2.132 -2.618 1.00 0.00 C ATOM 414 CE2 PHE A 25 -7.125 -4.343 -2.719 1.00 0.00 C ATOM 415 CZ PHE A 25 -7.257 -2.958 -2.572 1.00 0.00 C ATOM 0 H PHE A 25 -3.908 -5.928 -5.409 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.681 -3.344 -4.625 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.417 -5.777 -2.985 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.655 -4.314 -2.395 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.968 -2.060 -2.774 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.748 -5.975 -3.042 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.235 -1.061 -2.539 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -8.000 -4.976 -2.692 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.234 -2.523 -2.423 1.00 0.00 H new ATOM 425 N LEU A 26 -0.459 -4.345 -5.103 1.00 0.00 N ATOM 426 CA LEU A 26 0.910 -4.805 -5.207 1.00 0.00 C ATOM 427 C LEU A 26 1.456 -4.849 -3.783 1.00 0.00 C ATOM 428 O LEU A 26 1.668 -3.789 -3.199 1.00 0.00 O ATOM 429 CB LEU A 26 1.723 -3.874 -6.133 1.00 0.00 C ATOM 430 CG LEU A 26 3.043 -4.444 -6.686 1.00 0.00 C ATOM 431 CD1 LEU A 26 4.010 -4.860 -5.582 1.00 0.00 C ATOM 432 CD2 LEU A 26 2.835 -5.616 -7.658 1.00 0.00 C ATOM 0 H LEU A 26 -0.571 -3.357 -5.332 1.00 0.00 H new ATOM 0 HA LEU A 26 0.978 -5.795 -5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.092 -3.594 -6.976 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.948 -2.959 -5.586 1.00 0.00 H new ATOM 0 HG LEU A 26 3.487 -3.620 -7.244 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.923 -5.254 -6.028 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.252 -3.995 -4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.547 -5.629 -4.963 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.803 -5.972 -8.011 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.316 -6.426 -7.146 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.239 -5.283 -8.507 1.00 0.00 H new ATOM 444 N ILE A 27 1.647 -6.037 -3.197 1.00 0.00 N ATOM 445 CA ILE A 27 2.381 -6.160 -1.940 1.00 0.00 C ATOM 446 C ILE A 27 3.869 -6.086 -2.278 1.00 0.00 C ATOM 447 O ILE A 27 4.464 -7.061 -2.747 1.00 0.00 O ATOM 448 CB ILE A 27 2.014 -7.389 -1.075 1.00 0.00 C ATOM 449 CG1 ILE A 27 0.494 -7.653 -0.989 1.00 0.00 C ATOM 450 CG2 ILE A 27 2.610 -7.198 0.332 1.00 0.00 C ATOM 451 CD1 ILE A 27 -0.340 -6.475 -0.462 1.00 0.00 C ATOM 0 H ILE A 27 1.304 -6.921 -3.574 1.00 0.00 H new ATOM 0 HA ILE A 27 2.089 -5.336 -1.289 1.00 0.00 H new ATOM 0 HB ILE A 27 2.437 -8.270 -1.558 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.130 -7.921 -1.981 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.326 -8.515 -0.344 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.359 -8.058 0.953 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.694 -7.107 0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.200 -6.294 0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.393 -6.756 -0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.010 -6.217 0.545 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.209 -5.614 -1.118 1.00 0.00 H new ATOM 463 N VAL A 28 4.465 -4.918 -2.076 1.00 0.00 N ATOM 464 CA VAL A 28 5.906 -4.732 -2.078 1.00 0.00 C ATOM 465 C VAL A 28 6.444 -5.560 -0.911 1.00 0.00 C ATOM 466 O VAL A 28 5.845 -5.572 0.172 1.00 0.00 O ATOM 467 CB VAL A 28 6.246 -3.232 -1.923 1.00 0.00 C ATOM 468 CG1 VAL A 28 7.725 -2.957 -2.231 1.00 0.00 C ATOM 469 CG2 VAL A 28 5.435 -2.351 -2.880 1.00 0.00 C ATOM 0 H VAL A 28 3.947 -4.057 -1.903 1.00 0.00 H new ATOM 0 HA VAL A 28 6.360 -5.057 -3.014 1.00 0.00 H new ATOM 0 HB VAL A 28 6.006 -2.990 -0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.930 -1.893 -2.112 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.352 -3.526 -1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.945 -3.257 -3.256 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.709 -1.306 -2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.647 -2.641 -3.909 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.371 -2.479 -2.679 1.00 0.00 H new ATOM 479 N ARG A 29 7.552 -6.273 -1.120 1.00 0.00 N ATOM 480 CA ARG A 29 8.219 -7.040 -0.079 1.00 0.00 C ATOM 481 C ARG A 29 9.659 -6.573 -0.033 1.00 0.00 C ATOM 482 O ARG A 29 10.369 -6.677 -1.037 1.00 0.00 O ATOM 483 CB ARG A 29 8.071 -8.543 -0.353 1.00 0.00 C ATOM 484 CG ARG A 29 8.921 -9.390 0.608 1.00 0.00 C ATOM 485 CD ARG A 29 8.330 -10.794 0.733 1.00 0.00 C ATOM 486 NE ARG A 29 9.285 -11.730 1.338 1.00 0.00 N ATOM 487 CZ ARG A 29 9.024 -13.019 1.593 1.00 0.00 C ATOM 488 NH1 ARG A 29 7.773 -13.484 1.576 1.00 0.00 N ATOM 489 NH2 ARG A 29 10.024 -13.841 1.879 1.00 0.00 N ATOM 0 H ARG A 29 8.013 -6.332 -2.028 1.00 0.00 H new ATOM 0 HA ARG A 29 7.770 -6.877 0.901 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.023 -8.828 -0.257 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.366 -8.755 -1.381 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.946 -9.450 0.243 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.959 -8.914 1.588 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.424 -10.756 1.338 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.039 -11.156 -0.253 1.00 0.00 H new ATOM 0 HE ARG A 29 10.210 -11.375 1.581 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.998 -12.855 1.367 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.592 -14.468 1.772 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.981 -13.490 1.903 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.836 -14.824 2.075 1.00 0.00 H new ATOM 503 N ILE A 30 10.053 -6.031 1.112 1.00 0.00 N ATOM 504 CA ILE A 30 11.378 -5.503 1.378 1.00 0.00 C ATOM 505 C ILE A 30 11.904 -6.343 2.525 1.00 0.00 C ATOM 506 O ILE A 30 11.149 -6.635 3.450 1.00 0.00 O ATOM 507 CB ILE A 30 11.265 -4.014 1.772 1.00 0.00 C ATOM 508 CG1 ILE A 30 10.679 -3.165 0.624 1.00 0.00 C ATOM 509 CG2 ILE A 30 12.596 -3.431 2.279 1.00 0.00 C ATOM 510 CD1 ILE A 30 10.168 -1.789 1.062 1.00 0.00 C ATOM 0 H ILE A 30 9.428 -5.945 1.913 1.00 0.00 H new ATOM 0 HA ILE A 30 12.043 -5.551 0.516 1.00 0.00 H new ATOM 0 HB ILE A 30 10.567 -3.970 2.608 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.444 -3.030 -0.141 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.859 -3.715 0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 30 12.457 -2.382 2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 30 12.924 -3.985 3.159 1.00 0.00 H new ATOM 0 HG23 ILE A 30 13.350 -3.513 1.497 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.773 -1.256 0.198 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.379 -1.913 1.804 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.988 -1.218 1.497 1.00 0.00 H new ATOM 522 N ASP A 31 13.183 -6.707 2.487 1.00 0.00 N ATOM 523 CA ASP A 31 13.851 -7.413 3.568 1.00 0.00 C ATOM 524 C ASP A 31 15.275 -6.861 3.739 1.00 0.00 C ATOM 525 O ASP A 31 16.059 -7.441 4.490 1.00 0.00 O ATOM 526 CB ASP A 31 13.845 -8.940 3.326 1.00 0.00 C ATOM 527 CG ASP A 31 12.453 -9.614 3.318 1.00 0.00 C ATOM 528 OD1 ASP A 31 11.944 -9.923 4.425 1.00 0.00 O ATOM 529 OD2 ASP A 31 11.882 -9.874 2.233 1.00 0.00 O ATOM 0 H ASP A 31 13.791 -6.515 1.691 1.00 0.00 H new ATOM 0 HA ASP A 31 13.306 -7.245 4.497 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.330 -9.139 2.370 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.453 -9.414 4.097 1.00 0.00 H new ATOM 534 N ASP A 32 15.631 -5.776 3.023 1.00 0.00 N ATOM 535 CA ASP A 32 16.944 -5.109 3.073 1.00 0.00 C ATOM 536 C ASP A 32 16.930 -3.748 2.357 1.00 0.00 C ATOM 537 O ASP A 32 17.728 -3.468 1.464 1.00 0.00 O ATOM 538 CB ASP A 32 18.012 -6.016 2.449 1.00 0.00 C ATOM 539 CG ASP A 32 19.450 -5.652 2.799 1.00 0.00 C ATOM 540 OD1 ASP A 32 19.713 -4.864 3.728 1.00 0.00 O ATOM 541 OD2 ASP A 32 20.351 -6.328 2.241 1.00 0.00 O ATOM 0 H ASP A 32 14.988 -5.325 2.372 1.00 0.00 H new ATOM 0 HA ASP A 32 17.180 -4.925 4.121 1.00 0.00 H new ATOM 0 HB2 ASP A 32 17.826 -7.042 2.765 1.00 0.00 H new ATOM 0 HB3 ASP A 32 17.900 -5.991 1.365 1.00 0.00 H new ATOM 546 N ASN A 33 15.959 -2.900 2.704 1.00 0.00 N ATOM 547 CA ASN A 33 15.730 -1.554 2.134 1.00 0.00 C ATOM 548 C ASN A 33 15.361 -1.526 0.646 1.00 0.00 C ATOM 549 O ASN A 33 15.009 -0.466 0.140 1.00 0.00 O ATOM 550 CB ASN A 33 16.933 -0.623 2.386 1.00 0.00 C ATOM 551 CG ASN A 33 16.567 0.827 2.641 1.00 0.00 C ATOM 552 OD1 ASN A 33 17.024 1.732 1.959 1.00 0.00 O ATOM 553 ND2 ASN A 33 15.814 1.092 3.695 1.00 0.00 N ATOM 0 H ASN A 33 15.275 -3.136 3.423 1.00 0.00 H new ATOM 0 HA ASN A 33 14.852 -1.190 2.667 1.00 0.00 H new ATOM 0 HB2 ASN A 33 17.493 -0.999 3.242 1.00 0.00 H new ATOM 0 HB3 ASN A 33 17.599 -0.670 1.524 1.00 0.00 H new ATOM 0 HD21 ASN A 33 15.610 2.059 3.946 1.00 0.00 H new ATOM 0 HD22 ASN A 33 15.437 0.329 4.258 1.00 0.00 H new ATOM 560 N GLU A 34 15.377 -2.665 -0.042 1.00 0.00 N ATOM 561 CA GLU A 34 15.153 -2.833 -1.459 1.00 0.00 C ATOM 562 C GLU A 34 13.973 -3.780 -1.675 1.00 0.00 C ATOM 563 O GLU A 34 13.705 -4.659 -0.850 1.00 0.00 O ATOM 564 CB GLU A 34 16.468 -3.393 -2.013 1.00 0.00 C ATOM 565 CG GLU A 34 16.390 -4.007 -3.402 1.00 0.00 C ATOM 566 CD GLU A 34 16.078 -3.036 -4.534 1.00 0.00 C ATOM 567 OE1 GLU A 34 15.150 -2.209 -4.398 1.00 0.00 O ATOM 568 OE2 GLU A 34 16.736 -3.173 -5.587 1.00 0.00 O ATOM 0 H GLU A 34 15.561 -3.556 0.419 1.00 0.00 H new ATOM 0 HA GLU A 34 14.896 -1.905 -1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 34 17.204 -2.590 -2.032 1.00 0.00 H new ATOM 0 HB3 GLU A 34 16.839 -4.150 -1.322 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.340 -4.495 -3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 34 15.626 -4.785 -3.394 1.00 0.00 H new ATOM 575 N VAL A 35 13.314 -3.633 -2.818 1.00 0.00 N ATOM 576 CA VAL A 35 12.275 -4.518 -3.314 1.00 0.00 C ATOM 577 C VAL A 35 12.924 -5.877 -3.582 1.00 0.00 C ATOM 578 O VAL A 35 13.528 -6.129 -4.629 1.00 0.00 O ATOM 579 CB VAL A 35 11.605 -3.905 -4.561 1.00 0.00 C ATOM 580 CG1 VAL A 35 10.452 -4.792 -5.053 1.00 0.00 C ATOM 581 CG2 VAL A 35 11.030 -2.504 -4.292 1.00 0.00 C ATOM 0 H VAL A 35 13.501 -2.856 -3.452 1.00 0.00 H new ATOM 0 HA VAL A 35 11.475 -4.652 -2.586 1.00 0.00 H new ATOM 0 HB VAL A 35 12.389 -3.832 -5.314 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.995 -4.340 -5.933 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.837 -5.779 -5.311 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.705 -4.888 -4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.570 -2.119 -5.202 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.280 -2.564 -3.504 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.832 -1.835 -3.980 1.00 0.00 H new ATOM 591 N LYS A 36 12.810 -6.783 -2.614 1.00 0.00 N ATOM 592 CA LYS A 36 13.219 -8.168 -2.785 1.00 0.00 C ATOM 593 C LYS A 36 12.258 -8.864 -3.735 1.00 0.00 C ATOM 594 O LYS A 36 12.668 -9.797 -4.421 1.00 0.00 O ATOM 595 CB LYS A 36 13.207 -8.890 -1.433 1.00 0.00 C ATOM 596 CG LYS A 36 14.224 -8.348 -0.423 1.00 0.00 C ATOM 597 CD LYS A 36 15.670 -8.784 -0.697 1.00 0.00 C ATOM 598 CE LYS A 36 16.630 -8.160 0.324 1.00 0.00 C ATOM 599 NZ LYS A 36 18.050 -8.272 -0.087 1.00 0.00 N ATOM 0 H LYS A 36 12.431 -6.574 -1.690 1.00 0.00 H new ATOM 0 HA LYS A 36 14.228 -8.194 -3.195 1.00 0.00 H new ATOM 0 HB2 LYS A 36 12.209 -8.815 -1.002 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.404 -9.949 -1.598 1.00 0.00 H new ATOM 0 HG2 LYS A 36 14.177 -7.259 -0.425 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.939 -8.678 0.576 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.741 -9.871 -0.653 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.960 -8.486 -1.705 1.00 0.00 H new ATOM 0 HE2 LYS A 36 16.377 -7.109 0.460 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.495 -8.648 1.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.662 -7.944 0.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 18.271 -9.264 -0.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.215 -7.686 -0.930 1.00 0.00 H new ATOM 613 N SER A 37 10.970 -8.503 -3.737 1.00 0.00 N ATOM 614 CA SER A 37 9.957 -9.156 -4.558 1.00 0.00 C ATOM 615 C SER A 37 8.714 -8.279 -4.700 1.00 0.00 C ATOM 616 O SER A 37 8.497 -7.356 -3.910 1.00 0.00 O ATOM 617 CB SER A 37 9.535 -10.466 -3.887 1.00 0.00 C ATOM 618 OG SER A 37 10.618 -11.342 -3.658 1.00 0.00 O ATOM 0 H SER A 37 10.604 -7.744 -3.163 1.00 0.00 H new ATOM 0 HA SER A 37 10.385 -9.336 -5.544 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.049 -10.241 -2.937 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.796 -10.967 -4.512 1.00 0.00 H new ATOM 0 HG SER A 37 11.389 -11.056 -4.191 1.00 0.00 H new ATOM 624 N THR A 38 7.842 -8.651 -5.636 1.00 0.00 N ATOM 625 CA THR A 38 6.567 -8.008 -5.905 1.00 0.00 C ATOM 626 C THR A 38 5.463 -9.070 -5.874 1.00 0.00 C ATOM 627 O THR A 38 5.509 -10.061 -6.610 1.00 0.00 O ATOM 628 CB THR A 38 6.658 -7.245 -7.244 1.00 0.00 C ATOM 629 OG1 THR A 38 7.307 -7.981 -8.277 1.00 0.00 O ATOM 630 CG2 THR A 38 7.412 -5.926 -7.054 1.00 0.00 C ATOM 0 H THR A 38 8.018 -9.445 -6.252 1.00 0.00 H new ATOM 0 HA THR A 38 6.318 -7.269 -5.143 1.00 0.00 H new ATOM 0 HB THR A 38 5.627 -7.072 -7.553 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.330 -7.444 -9.096 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.468 -5.399 -8.006 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.885 -5.307 -6.327 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.420 -6.132 -6.693 1.00 0.00 H new ATOM 638 N LYS A 39 4.507 -8.921 -4.955 1.00 0.00 N ATOM 639 CA LYS A 39 3.284 -9.716 -4.858 1.00 0.00 C ATOM 640 C LYS A 39 2.129 -8.891 -5.356 1.00 0.00 C ATOM 641 O LYS A 39 2.202 -7.682 -5.415 1.00 0.00 O ATOM 642 CB LYS A 39 3.015 -10.129 -3.399 1.00 0.00 C ATOM 643 CG LYS A 39 3.392 -11.550 -2.983 1.00 0.00 C ATOM 644 CD LYS A 39 4.887 -11.691 -2.694 1.00 0.00 C ATOM 645 CE LYS A 39 5.634 -12.241 -3.917 1.00 0.00 C ATOM 646 NZ LYS A 39 6.838 -13.004 -3.551 1.00 0.00 N ATOM 0 H LYS A 39 4.568 -8.210 -4.226 1.00 0.00 H new ATOM 0 HA LYS A 39 3.400 -10.617 -5.460 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.551 -9.436 -2.750 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.952 -9.993 -3.202 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.824 -11.829 -2.095 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.110 -12.245 -3.774 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.300 -10.721 -2.417 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.035 -12.356 -1.843 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.963 -12.881 -4.490 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.917 -11.413 -4.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.304 -13.352 -4.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.493 -12.389 -3.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.569 -13.811 -2.953 1.00 0.00 H new ATOM 660 N VAL A 40 1.011 -9.557 -5.546 1.00 0.00 N ATOM 661 CA VAL A 40 -0.242 -9.148 -6.086 1.00 0.00 C ATOM 662 C VAL A 40 -1.449 -9.950 -5.642 1.00 0.00 C ATOM 663 O VAL A 40 -1.458 -11.176 -5.722 1.00 0.00 O ATOM 664 CB VAL A 40 -0.168 -8.429 -7.390 1.00 0.00 C ATOM 665 CG1 VAL A 40 0.803 -8.894 -8.444 1.00 0.00 C ATOM 666 CG2 VAL A 40 -1.529 -8.532 -8.128 1.00 0.00 C ATOM 0 H VAL A 40 0.970 -10.541 -5.281 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.593 -8.266 -5.551 1.00 0.00 H new ATOM 0 HB VAL A 40 0.155 -7.447 -7.046 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.719 -8.255 -9.323 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.819 -8.840 -8.052 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.575 -9.923 -8.720 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.468 -8.004 -9.080 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.766 -9.580 -8.309 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.310 -8.084 -7.514 1.00 0.00 H new ATOM 676 N ILE A 41 -2.407 -9.204 -5.096 1.00 0.00 N ATOM 677 CA ILE A 41 -3.682 -9.600 -4.552 1.00 0.00 C ATOM 678 C ILE A 41 -4.673 -8.762 -5.359 1.00 0.00 C ATOM 679 O ILE A 41 -4.685 -7.539 -5.211 1.00 0.00 O ATOM 680 CB ILE A 41 -3.725 -9.244 -3.043 1.00 0.00 C ATOM 681 CG1 ILE A 41 -2.560 -9.864 -2.244 1.00 0.00 C ATOM 682 CG2 ILE A 41 -5.073 -9.656 -2.438 1.00 0.00 C ATOM 683 CD1 ILE A 41 -2.606 -9.502 -0.754 1.00 0.00 C ATOM 0 H ILE A 41 -2.283 -8.194 -5.021 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.893 -10.667 -4.620 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.610 -8.163 -2.970 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.588 -10.948 -2.351 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.614 -9.526 -2.667 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.090 -9.400 -1.379 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.878 -9.130 -2.951 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.211 -10.731 -2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.763 -9.965 -0.241 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.550 -8.419 -0.641 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.538 -9.864 -0.320 1.00 0.00 H new ATOM 695 N PHE A 42 -5.457 -9.366 -6.252 1.00 0.00 N ATOM 696 CA PHE A 42 -6.481 -8.623 -6.987 1.00 0.00 C ATOM 697 C PHE A 42 -7.505 -8.036 -5.998 1.00 0.00 C ATOM 698 O PHE A 42 -7.610 -8.532 -4.872 1.00 0.00 O ATOM 699 CB PHE A 42 -7.117 -9.547 -8.027 1.00 0.00 C ATOM 700 CG PHE A 42 -6.145 -10.002 -9.104 1.00 0.00 C ATOM 701 CD1 PHE A 42 -5.762 -9.102 -10.114 1.00 0.00 C ATOM 702 CD2 PHE A 42 -5.610 -11.305 -9.098 1.00 0.00 C ATOM 703 CE1 PHE A 42 -4.878 -9.515 -11.127 1.00 0.00 C ATOM 704 CE2 PHE A 42 -4.725 -11.716 -10.114 1.00 0.00 C ATOM 705 CZ PHE A 42 -4.363 -10.820 -11.134 1.00 0.00 C ATOM 0 H PHE A 42 -5.404 -10.358 -6.483 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.042 -7.781 -7.522 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.525 -10.423 -7.523 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.954 -9.031 -8.498 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.147 -8.093 -10.112 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.880 -11.993 -8.310 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.594 -8.822 -11.905 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.325 -12.719 -10.109 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.692 -11.134 -11.919 1.00 0.00 H new ATOM 715 N ASN A 43 -8.210 -6.961 -6.378 1.00 0.00 N ATOM 716 CA ASN A 43 -9.154 -6.188 -5.554 1.00 0.00 C ATOM 717 C ASN A 43 -10.452 -6.973 -5.316 1.00 0.00 C ATOM 718 O ASN A 43 -11.557 -6.529 -5.650 1.00 0.00 O ATOM 719 CB ASN A 43 -9.409 -4.822 -6.219 1.00 0.00 C ATOM 720 CG ASN A 43 -10.322 -3.886 -5.419 1.00 0.00 C ATOM 721 OD1 ASN A 43 -10.566 -4.067 -4.226 1.00 0.00 O ATOM 722 ND2 ASN A 43 -10.833 -2.853 -6.071 1.00 0.00 N ATOM 0 H ASN A 43 -8.133 -6.585 -7.323 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.719 -6.012 -4.570 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.452 -4.326 -6.379 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.851 -4.987 -7.202 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.439 -2.192 -5.585 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.620 -2.718 -7.059 1.00 0.00 H new ATOM 729 N ASP A 44 -10.334 -8.179 -4.771 1.00 0.00 N ATOM 730 CA ASP A 44 -11.400 -9.137 -4.675 1.00 0.00 C ATOM 731 C ASP A 44 -11.826 -9.191 -3.209 1.00 0.00 C ATOM 732 O ASP A 44 -11.119 -8.734 -2.304 1.00 0.00 O ATOM 733 CB ASP A 44 -10.915 -10.528 -5.119 1.00 0.00 C ATOM 734 CG ASP A 44 -10.267 -10.709 -6.499 1.00 0.00 C ATOM 735 OD1 ASP A 44 -10.315 -9.804 -7.357 1.00 0.00 O ATOM 736 OD2 ASP A 44 -9.748 -11.833 -6.728 1.00 0.00 O ATOM 0 H ASP A 44 -9.457 -8.516 -4.373 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.230 -8.847 -5.319 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.197 -10.874 -4.375 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.771 -11.201 -5.072 1.00 0.00 H new ATOM 741 N GLU A 45 -12.953 -9.843 -2.955 1.00 0.00 N ATOM 742 CA GLU A 45 -13.474 -10.071 -1.614 1.00 0.00 C ATOM 743 C GLU A 45 -12.476 -10.895 -0.811 1.00 0.00 C ATOM 744 O GLU A 45 -12.199 -10.615 0.358 1.00 0.00 O ATOM 745 CB GLU A 45 -14.819 -10.813 -1.678 1.00 0.00 C ATOM 746 CG GLU A 45 -15.663 -10.401 -2.890 1.00 0.00 C ATOM 747 CD GLU A 45 -17.116 -10.801 -2.721 1.00 0.00 C ATOM 748 OE1 GLU A 45 -17.807 -10.096 -1.951 1.00 0.00 O ATOM 749 OE2 GLU A 45 -17.542 -11.764 -3.398 1.00 0.00 O ATOM 0 H GLU A 45 -13.542 -10.236 -3.690 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.628 -9.106 -1.130 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.636 -11.887 -1.716 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.381 -10.617 -0.765 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.596 -9.322 -3.031 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.260 -10.865 -3.790 1.00 0.00 H new ATOM 756 N SER A 46 -11.940 -11.927 -1.459 1.00 0.00 N ATOM 757 CA SER A 46 -11.035 -12.865 -0.828 1.00 0.00 C ATOM 758 C SER A 46 -9.649 -12.227 -0.712 1.00 0.00 C ATOM 759 O SER A 46 -8.991 -12.377 0.317 1.00 0.00 O ATOM 760 CB SER A 46 -11.071 -14.185 -1.599 1.00 0.00 C ATOM 761 OG SER A 46 -12.354 -14.770 -1.437 1.00 0.00 O ATOM 0 H SER A 46 -12.127 -12.131 -2.441 1.00 0.00 H new ATOM 0 HA SER A 46 -11.339 -13.103 0.192 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.865 -14.012 -2.655 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.298 -14.860 -1.230 1.00 0.00 H new ATOM 0 HG SER A 46 -12.392 -15.617 -1.928 1.00 0.00 H new ATOM 767 N GLY A 47 -9.277 -11.402 -1.694 1.00 0.00 N ATOM 768 CA GLY A 47 -8.064 -10.615 -1.676 1.00 0.00 C ATOM 769 C GLY A 47 -8.002 -9.722 -0.439 1.00 0.00 C ATOM 770 O GLY A 47 -7.078 -9.837 0.362 1.00 0.00 O ATOM 0 H GLY A 47 -9.832 -11.267 -2.539 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.198 -11.277 -1.694 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.013 -10.000 -2.574 1.00 0.00 H new ATOM 774 N LYS A 48 -8.993 -8.846 -0.230 1.00 0.00 N ATOM 775 CA LYS A 48 -8.997 -7.937 0.916 1.00 0.00 C ATOM 776 C LYS A 48 -9.010 -8.743 2.208 1.00 0.00 C ATOM 777 O LYS A 48 -8.329 -8.359 3.158 1.00 0.00 O ATOM 778 CB LYS A 48 -10.226 -7.018 0.848 1.00 0.00 C ATOM 779 CG LYS A 48 -10.078 -5.811 -0.104 1.00 0.00 C ATOM 780 CD LYS A 48 -11.468 -5.389 -0.609 1.00 0.00 C ATOM 781 CE LYS A 48 -11.452 -4.008 -1.270 1.00 0.00 C ATOM 782 NZ LYS A 48 -12.750 -3.706 -1.895 1.00 0.00 N ATOM 0 H LYS A 48 -9.803 -8.750 -0.843 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.098 -7.321 0.893 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.087 -7.608 0.533 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.442 -6.648 1.850 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.599 -4.980 0.415 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.437 -6.073 -0.946 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.832 -6.127 -1.324 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.169 -5.381 0.226 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.217 -3.247 -0.525 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.665 -3.971 -2.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.628 -3.617 -2.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.421 -4.474 -1.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.120 -2.813 -1.512 1.00 0.00 H new ATOM 796 N LYS A 49 -9.733 -9.869 2.258 1.00 0.00 N ATOM 797 CA LYS A 49 -9.714 -10.741 3.426 1.00 0.00 C ATOM 798 C LYS A 49 -8.308 -11.257 3.730 1.00 0.00 C ATOM 799 O LYS A 49 -7.988 -11.415 4.911 1.00 0.00 O ATOM 800 CB LYS A 49 -10.707 -11.900 3.256 1.00 0.00 C ATOM 801 CG LYS A 49 -12.112 -11.485 3.714 1.00 0.00 C ATOM 802 CD LYS A 49 -13.158 -12.596 3.559 1.00 0.00 C ATOM 803 CE LYS A 49 -13.512 -12.837 2.087 1.00 0.00 C ATOM 804 NZ LYS A 49 -14.741 -13.637 1.940 1.00 0.00 N ATOM 0 H LYS A 49 -10.336 -10.192 1.501 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.027 -10.146 4.284 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.737 -12.209 2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.371 -12.761 3.834 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.070 -11.180 4.760 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.430 -10.614 3.141 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.778 -13.518 3.998 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.059 -12.328 4.111 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.640 -11.879 1.583 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.685 -13.348 1.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -14.945 -13.777 0.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.610 -14.561 2.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.536 -13.138 2.388 1.00 0.00 H new ATOM 818 N SER A 50 -7.476 -11.515 2.724 1.00 0.00 N ATOM 819 CA SER A 50 -6.080 -11.844 2.941 1.00 0.00 C ATOM 820 C SER A 50 -5.336 -10.649 3.539 1.00 0.00 C ATOM 821 O SER A 50 -4.683 -10.817 4.567 1.00 0.00 O ATOM 822 CB SER A 50 -5.441 -12.363 1.653 1.00 0.00 C ATOM 823 OG SER A 50 -6.106 -13.549 1.276 1.00 0.00 O ATOM 0 H SER A 50 -7.754 -11.501 1.743 1.00 0.00 H new ATOM 0 HA SER A 50 -6.010 -12.653 3.668 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.519 -11.616 0.863 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.379 -12.555 1.806 1.00 0.00 H new ATOM 0 HG SER A 50 -7.009 -13.332 0.962 1.00 0.00 H new ATOM 829 N ILE A 51 -5.479 -9.441 2.974 1.00 0.00 N ATOM 830 CA ILE A 51 -4.811 -8.228 3.470 1.00 0.00 C ATOM 831 C ILE A 51 -5.136 -8.003 4.954 1.00 0.00 C ATOM 832 O ILE A 51 -4.233 -7.723 5.745 1.00 0.00 O ATOM 833 CB ILE A 51 -5.162 -6.978 2.620 1.00 0.00 C ATOM 834 CG1 ILE A 51 -4.918 -7.237 1.120 1.00 0.00 C ATOM 835 CG2 ILE A 51 -4.296 -5.774 3.036 1.00 0.00 C ATOM 836 CD1 ILE A 51 -5.179 -6.050 0.190 1.00 0.00 C ATOM 0 H ILE A 51 -6.065 -9.277 2.155 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.736 -8.381 3.372 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.217 -6.764 2.793 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.884 -7.557 0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.551 -8.067 0.806 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.559 -4.909 2.427 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -4.472 -5.545 4.087 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.243 -6.015 2.889 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.976 -6.343 -0.840 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.220 -5.739 0.280 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.527 -5.221 0.466 1.00 0.00 H new ATOM 848 N VAL A 52 -6.401 -8.160 5.360 1.00 0.00 N ATOM 849 CA VAL A 52 -6.834 -7.994 6.751 1.00 0.00 C ATOM 850 C VAL A 52 -6.030 -8.907 7.685 1.00 0.00 C ATOM 851 O VAL A 52 -5.700 -8.495 8.801 1.00 0.00 O ATOM 852 CB VAL A 52 -8.349 -8.260 6.877 1.00 0.00 C ATOM 853 CG1 VAL A 52 -8.870 -8.064 8.313 1.00 0.00 C ATOM 854 CG2 VAL A 52 -9.185 -7.364 5.951 1.00 0.00 C ATOM 0 H VAL A 52 -7.160 -8.408 4.725 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.644 -6.964 7.053 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.466 -9.303 6.584 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.941 -8.264 8.342 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.354 -8.751 8.984 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.684 -7.038 8.631 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.243 -7.593 6.081 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -9.007 -6.318 6.200 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.899 -7.544 4.915 1.00 0.00 H new ATOM 864 N LYS A 53 -5.663 -10.114 7.249 1.00 0.00 N ATOM 865 CA LYS A 53 -4.881 -11.037 8.063 1.00 0.00 C ATOM 866 C LYS A 53 -3.378 -10.947 7.764 1.00 0.00 C ATOM 867 O LYS A 53 -2.598 -11.640 8.419 1.00 0.00 O ATOM 868 CB LYS A 53 -5.411 -12.477 7.893 1.00 0.00 C ATOM 869 CG LYS A 53 -6.536 -12.838 8.874 1.00 0.00 C ATOM 870 CD LYS A 53 -7.917 -12.261 8.529 1.00 0.00 C ATOM 871 CE LYS A 53 -8.974 -12.557 9.610 1.00 0.00 C ATOM 872 NZ LYS A 53 -9.129 -14.000 9.912 1.00 0.00 N ATOM 0 H LYS A 53 -5.900 -10.475 6.325 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.001 -10.746 9.106 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.775 -12.603 6.873 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.586 -13.177 8.026 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.617 -13.924 8.925 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.254 -12.492 9.868 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.832 -11.183 8.396 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.251 -12.674 7.577 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.703 -12.030 10.525 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.935 -12.157 9.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.890 -14.129 10.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.368 -14.514 9.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.238 -14.371 10.299 1.00 0.00 H new ATOM 886 N GLU A 54 -2.942 -10.133 6.801 1.00 0.00 N ATOM 887 CA GLU A 54 -1.537 -9.989 6.455 1.00 0.00 C ATOM 888 C GLU A 54 -0.850 -9.035 7.438 1.00 0.00 C ATOM 889 O GLU A 54 -1.495 -8.321 8.209 1.00 0.00 O ATOM 890 CB GLU A 54 -1.401 -9.507 4.998 1.00 0.00 C ATOM 891 CG GLU A 54 -0.147 -10.098 4.333 1.00 0.00 C ATOM 892 CD GLU A 54 0.117 -9.607 2.911 1.00 0.00 C ATOM 893 OE1 GLU A 54 -0.828 -9.184 2.217 1.00 0.00 O ATOM 894 OE2 GLU A 54 1.293 -9.736 2.496 1.00 0.00 O ATOM 0 H GLU A 54 -3.564 -9.553 6.238 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.040 -10.956 6.532 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.287 -9.796 4.432 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.349 -8.418 4.975 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.720 -9.862 4.950 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.240 -11.184 4.316 1.00 0.00 H new ATOM 901 N ASN A 55 0.479 -9.002 7.382 1.00 0.00 N ATOM 902 CA ASN A 55 1.356 -8.220 8.245 1.00 0.00 C ATOM 903 C ASN A 55 1.714 -6.892 7.566 1.00 0.00 C ATOM 904 O ASN A 55 2.879 -6.491 7.599 1.00 0.00 O ATOM 905 CB ASN A 55 2.624 -9.043 8.554 1.00 0.00 C ATOM 906 CG ASN A 55 2.334 -10.365 9.243 1.00 0.00 C ATOM 907 OD1 ASN A 55 2.100 -11.377 8.580 1.00 0.00 O ATOM 908 ND2 ASN A 55 2.351 -10.396 10.563 1.00 0.00 N ATOM 0 H ASN A 55 0.999 -9.550 6.697 1.00 0.00 H new ATOM 0 HA ASN A 55 0.847 -7.991 9.181 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.158 -9.236 7.624 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.287 -8.451 9.185 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.168 -11.271 11.055 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.547 -9.545 11.091 1.00 0.00 H new ATOM 915 N VAL A 56 0.781 -6.249 6.849 1.00 0.00 N ATOM 916 CA VAL A 56 1.126 -5.019 6.126 1.00 0.00 C ATOM 917 C VAL A 56 1.566 -3.979 7.166 1.00 0.00 C ATOM 918 O VAL A 56 0.959 -3.886 8.234 1.00 0.00 O ATOM 919 CB VAL A 56 -0.024 -4.446 5.272 1.00 0.00 C ATOM 920 CG1 VAL A 56 0.552 -3.625 4.115 1.00 0.00 C ATOM 921 CG2 VAL A 56 -0.996 -5.468 4.673 1.00 0.00 C ATOM 0 H VAL A 56 -0.189 -6.549 6.755 1.00 0.00 H new ATOM 0 HA VAL A 56 1.921 -5.261 5.420 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.603 -3.849 5.977 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.263 -3.222 3.514 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.150 -2.805 4.513 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.180 -4.263 3.493 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.760 -4.948 4.095 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.450 -6.151 4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.470 -6.033 5.476 1.00 0.00 H new ATOM 931 N ASN A 57 2.624 -3.239 6.852 1.00 0.00 N ATOM 932 CA ASN A 57 3.153 -2.141 7.649 1.00 0.00 C ATOM 933 C ASN A 57 2.361 -0.869 7.373 1.00 0.00 C ATOM 934 O ASN A 57 1.951 -0.155 8.288 1.00 0.00 O ATOM 935 CB ASN A 57 4.626 -1.935 7.250 1.00 0.00 C ATOM 936 CG ASN A 57 5.422 -1.264 8.354 1.00 0.00 C ATOM 937 OD1 ASN A 57 5.581 -0.049 8.372 1.00 0.00 O ATOM 938 ND2 ASN A 57 5.966 -2.067 9.250 1.00 0.00 N ATOM 0 H ASN A 57 3.159 -3.396 5.998 1.00 0.00 H new ATOM 0 HA ASN A 57 3.074 -2.372 8.711 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.076 -2.899 7.012 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.676 -1.328 6.346 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.545 -1.681 9.996 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.807 -3.073 9.197 1.00 0.00 H new ATOM 945 N ALA A 58 2.121 -0.609 6.085 1.00 0.00 N ATOM 946 CA ALA A 58 1.473 0.591 5.603 1.00 0.00 C ATOM 947 C ALA A 58 0.760 0.304 4.284 1.00 0.00 C ATOM 948 O ALA A 58 1.129 -0.628 3.569 1.00 0.00 O ATOM 949 CB ALA A 58 2.523 1.694 5.416 1.00 0.00 C ATOM 0 H ALA A 58 2.383 -1.251 5.337 1.00 0.00 H new ATOM 0 HA ALA A 58 0.732 0.924 6.330 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.038 2.600 5.053 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.008 1.900 6.370 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.269 1.367 4.692 1.00 0.00 H new ATOM 955 N ILE A 59 -0.221 1.125 3.920 1.00 0.00 N ATOM 956 CA ILE A 59 -0.869 1.074 2.615 1.00 0.00 C ATOM 957 C ILE A 59 -0.657 2.453 1.992 1.00 0.00 C ATOM 958 O ILE A 59 -1.024 3.452 2.615 1.00 0.00 O ATOM 959 CB ILE A 59 -2.348 0.659 2.771 1.00 0.00 C ATOM 960 CG1 ILE A 59 -2.397 -0.784 3.328 1.00 0.00 C ATOM 961 CG2 ILE A 59 -3.079 0.735 1.420 1.00 0.00 C ATOM 962 CD1 ILE A 59 -3.787 -1.363 3.607 1.00 0.00 C ATOM 0 H ILE A 59 -0.592 1.853 4.531 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.446 0.320 1.951 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.848 1.341 3.459 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.890 -1.440 2.620 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.824 -0.811 4.255 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.120 0.439 1.552 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.038 1.756 1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.598 0.064 0.708 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.688 -2.377 3.993 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.298 -0.743 4.343 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.366 -1.381 2.683 1.00 0.00 H new ATOM 974 N ILE A 60 -0.038 2.504 0.809 1.00 0.00 N ATOM 975 CA ILE A 60 0.168 3.727 0.041 1.00 0.00 C ATOM 976 C ILE A 60 -0.975 3.790 -0.961 1.00 0.00 C ATOM 977 O ILE A 60 -1.149 2.859 -1.754 1.00 0.00 O ATOM 978 CB ILE A 60 1.535 3.733 -0.683 1.00 0.00 C ATOM 979 CG1 ILE A 60 2.687 3.562 0.334 1.00 0.00 C ATOM 980 CG2 ILE A 60 1.720 5.053 -1.463 1.00 0.00 C ATOM 981 CD1 ILE A 60 4.039 3.298 -0.330 1.00 0.00 C ATOM 0 H ILE A 60 0.341 1.675 0.352 1.00 0.00 H new ATOM 0 HA ILE A 60 0.178 4.596 0.699 1.00 0.00 H new ATOM 0 HB ILE A 60 1.556 2.898 -1.383 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.759 4.461 0.947 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.451 2.736 1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.686 5.045 -1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.925 5.154 -2.202 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.680 5.894 -0.770 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.806 3.187 0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.982 2.384 -0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.295 4.135 -0.980 1.00 0.00 H new ATOM 993 N CYS A 61 -1.746 4.874 -0.937 1.00 0.00 N ATOM 994 CA CYS A 61 -2.832 5.085 -1.876 1.00 0.00 C ATOM 995 C CYS A 61 -3.007 6.577 -2.163 1.00 0.00 C ATOM 996 O CYS A 61 -2.567 7.433 -1.398 1.00 0.00 O ATOM 997 CB CYS A 61 -4.104 4.442 -1.301 1.00 0.00 C ATOM 998 SG CYS A 61 -4.439 5.011 0.392 1.00 0.00 S ATOM 0 H CYS A 61 -1.631 5.630 -0.262 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.610 4.612 -2.833 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -4.954 4.682 -1.940 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.997 3.357 -1.306 1.00 0.00 H new ATOM 0 HG CYS A 61 -3.911 6.186 0.567 1.00 0.00 H new ATOM 1004 N LYS A 62 -3.679 6.897 -3.267 1.00 0.00 N ATOM 1005 CA LYS A 62 -4.146 8.243 -3.583 1.00 0.00 C ATOM 1006 C LYS A 62 -5.457 8.558 -2.868 1.00 0.00 C ATOM 1007 O LYS A 62 -5.689 9.714 -2.561 1.00 0.00 O ATOM 1008 CB LYS A 62 -4.365 8.383 -5.099 1.00 0.00 C ATOM 1009 CG LYS A 62 -3.084 8.667 -5.885 1.00 0.00 C ATOM 1010 CD LYS A 62 -3.419 8.868 -7.370 1.00 0.00 C ATOM 1011 CE LYS A 62 -2.313 9.687 -8.048 1.00 0.00 C ATOM 1012 NZ LYS A 62 -2.735 10.168 -9.379 1.00 0.00 N ATOM 0 H LYS A 62 -3.919 6.211 -3.983 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.382 8.944 -3.246 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.816 7.466 -5.478 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.077 9.188 -5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.594 9.557 -5.490 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.384 7.839 -5.769 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.522 7.901 -7.863 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.376 9.380 -7.470 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.051 10.538 -7.419 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.416 9.076 -8.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.106 10.938 -9.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.684 9.386 -10.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.713 10.519 -9.327 1.00 0.00 H new ATOM 1026 N ASN A 63 -6.364 7.603 -2.658 1.00 0.00 N ATOM 1027 CA ASN A 63 -7.641 7.790 -1.949 1.00 0.00 C ATOM 1028 C ASN A 63 -7.992 6.470 -1.282 1.00 0.00 C ATOM 1029 O ASN A 63 -7.588 5.404 -1.767 1.00 0.00 O ATOM 1030 CB ASN A 63 -8.824 8.153 -2.870 1.00 0.00 C ATOM 1031 CG ASN A 63 -9.150 9.634 -2.981 1.00 0.00 C ATOM 1032 OD1 ASN A 63 -10.288 10.056 -2.784 1.00 0.00 O ATOM 1033 ND2 ASN A 63 -8.210 10.423 -3.438 1.00 0.00 N ATOM 0 H ASN A 63 -6.231 6.646 -2.985 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.499 8.617 -1.253 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.612 7.772 -3.869 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.711 7.631 -2.512 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -8.417 11.402 -3.635 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.271 10.059 -3.596 1.00 0.00 H new ATOM 1040 N ILE A 64 -8.859 6.537 -0.277 1.00 0.00 N ATOM 1041 CA ILE A 64 -9.406 5.419 0.486 1.00 0.00 C ATOM 1042 C ILE A 64 -10.885 5.703 0.783 1.00 0.00 C ATOM 1043 O ILE A 64 -11.221 6.830 1.138 1.00 0.00 O ATOM 1044 CB ILE A 64 -8.536 5.206 1.750 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -9.029 3.978 2.541 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -8.419 6.453 2.657 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -8.091 3.589 3.686 1.00 0.00 C ATOM 0 H ILE A 64 -9.223 7.433 0.048 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.375 4.484 -0.074 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.523 5.021 1.393 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.020 4.187 2.945 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.134 3.133 1.861 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.794 6.219 3.519 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.970 7.271 2.094 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -9.411 6.749 2.998 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.492 2.718 4.205 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.106 3.351 3.284 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.006 4.421 4.385 1.00 0.00 H new ATOM 1059 N SER A 65 -11.778 4.717 0.629 1.00 0.00 N ATOM 1060 CA SER A 65 -13.181 4.907 1.010 1.00 0.00 C ATOM 1061 C SER A 65 -13.290 4.785 2.528 1.00 0.00 C ATOM 1062 O SER A 65 -12.530 4.029 3.136 1.00 0.00 O ATOM 1063 CB SER A 65 -14.066 3.881 0.298 1.00 0.00 C ATOM 1064 OG SER A 65 -15.397 4.338 0.161 1.00 0.00 O ATOM 0 H SER A 65 -11.559 3.796 0.250 1.00 0.00 H new ATOM 0 HA SER A 65 -13.526 5.896 0.707 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.653 3.667 -0.687 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.059 2.945 0.857 1.00 0.00 H new ATOM 0 HG SER A 65 -15.931 3.657 -0.299 1.00 0.00 H new ATOM 1070 N GLU A 66 -14.235 5.503 3.133 1.00 0.00 N ATOM 1071 CA GLU A 66 -14.260 5.730 4.573 1.00 0.00 C ATOM 1072 C GLU A 66 -14.409 4.424 5.360 1.00 0.00 C ATOM 1073 O GLU A 66 -13.761 4.236 6.394 1.00 0.00 O ATOM 1074 CB GLU A 66 -15.402 6.692 4.927 1.00 0.00 C ATOM 1075 CG GLU A 66 -15.089 7.417 6.245 1.00 0.00 C ATOM 1076 CD GLU A 66 -16.259 7.552 7.219 1.00 0.00 C ATOM 1077 OE1 GLU A 66 -17.114 6.648 7.290 1.00 0.00 O ATOM 1078 OE2 GLU A 66 -16.165 8.435 8.107 1.00 0.00 O ATOM 0 H GLU A 66 -15.007 5.945 2.634 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.304 6.172 4.855 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.538 7.419 4.126 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.338 6.141 5.019 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.281 6.886 6.748 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.718 8.415 6.011 1.00 0.00 H new ATOM 1085 N GLU A 67 -15.227 3.499 4.847 1.00 0.00 N ATOM 1086 CA GLU A 67 -15.481 2.217 5.487 1.00 0.00 C ATOM 1087 C GLU A 67 -14.169 1.431 5.591 1.00 0.00 C ATOM 1088 O GLU A 67 -13.857 0.870 6.644 1.00 0.00 O ATOM 1089 CB GLU A 67 -16.576 1.446 4.712 1.00 0.00 C ATOM 1090 CG GLU A 67 -17.729 1.074 5.657 1.00 0.00 C ATOM 1091 CD GLU A 67 -19.033 0.676 4.960 1.00 0.00 C ATOM 1092 OE1 GLU A 67 -18.994 -0.136 4.002 1.00 0.00 O ATOM 1093 OE2 GLU A 67 -20.106 1.173 5.372 1.00 0.00 O ATOM 0 H GLU A 67 -15.732 3.626 3.970 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.855 2.368 6.500 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.951 2.058 3.892 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -16.153 0.544 4.270 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.407 0.248 6.292 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.929 1.921 6.313 1.00 0.00 H new ATOM 1100 N ASN A 68 -13.373 1.446 4.518 1.00 0.00 N ATOM 1101 CA ASN A 68 -12.063 0.812 4.482 1.00 0.00 C ATOM 1102 C ASN A 68 -11.044 1.554 5.352 1.00 0.00 C ATOM 1103 O ASN A 68 -10.162 0.900 5.904 1.00 0.00 O ATOM 1104 CB ASN A 68 -11.530 0.710 3.049 1.00 0.00 C ATOM 1105 CG ASN A 68 -11.945 -0.585 2.360 1.00 0.00 C ATOM 1106 OD1 ASN A 68 -11.550 -1.677 2.758 1.00 0.00 O ATOM 1107 ND2 ASN A 68 -12.729 -0.485 1.302 1.00 0.00 N ATOM 0 H ASN A 68 -13.628 1.905 3.643 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.196 -0.192 4.885 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.893 1.558 2.469 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.442 0.777 3.064 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.017 -1.325 0.800 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.046 0.432 0.987 1.00 0.00 H new ATOM 1114 N TYR A 69 -11.132 2.881 5.510 1.00 0.00 N ATOM 1115 CA TYR A 69 -10.194 3.603 6.373 1.00 0.00 C ATOM 1116 C TYR A 69 -10.268 3.048 7.785 1.00 0.00 C ATOM 1117 O TYR A 69 -9.266 2.554 8.295 1.00 0.00 O ATOM 1118 CB TYR A 69 -10.409 5.124 6.352 1.00 0.00 C ATOM 1119 CG TYR A 69 -9.399 5.857 7.221 1.00 0.00 C ATOM 1120 CD1 TYR A 69 -9.584 5.978 8.616 1.00 0.00 C ATOM 1121 CD2 TYR A 69 -8.256 6.419 6.627 1.00 0.00 C ATOM 1122 CE1 TYR A 69 -8.632 6.644 9.408 1.00 0.00 C ATOM 1123 CE2 TYR A 69 -7.306 7.098 7.410 1.00 0.00 C ATOM 1124 CZ TYR A 69 -7.485 7.211 8.805 1.00 0.00 C ATOM 1125 OH TYR A 69 -6.569 7.916 9.519 1.00 0.00 O ATOM 0 H TYR A 69 -11.833 3.468 5.058 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.191 3.443 5.978 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -10.334 5.486 5.327 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -11.417 5.352 6.698 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.464 5.555 9.078 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.106 6.329 5.561 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.776 6.723 10.475 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -6.436 7.535 6.942 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.854 8.222 8.922 1.00 0.00 H new ATOM 1135 N LYS A 70 -11.447 3.081 8.408 1.00 0.00 N ATOM 1136 CA LYS A 70 -11.635 2.609 9.783 1.00 0.00 C ATOM 1137 C LYS A 70 -11.147 1.161 9.928 1.00 0.00 C ATOM 1138 O LYS A 70 -10.440 0.827 10.878 1.00 0.00 O ATOM 1139 CB LYS A 70 -13.121 2.735 10.141 1.00 0.00 C ATOM 1140 CG LYS A 70 -13.648 4.179 10.059 1.00 0.00 C ATOM 1141 CD LYS A 70 -15.165 4.177 10.281 1.00 0.00 C ATOM 1142 CE LYS A 70 -15.896 5.308 9.565 1.00 0.00 C ATOM 1143 NZ LYS A 70 -15.805 6.631 10.211 1.00 0.00 N ATOM 0 H LYS A 70 -12.299 3.436 7.974 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.046 3.216 10.470 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.704 2.104 9.470 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.278 2.355 11.151 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.160 4.800 10.810 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.412 4.610 9.086 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -15.571 3.224 9.942 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -15.366 4.247 11.350 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.501 5.389 8.552 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -16.948 5.038 9.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.290 7.339 9.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.256 6.592 11.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.805 6.897 10.319 1.00 0.00 H new ATOM 1157 N LYS A 71 -11.490 0.318 8.951 1.00 0.00 N ATOM 1158 CA LYS A 71 -11.080 -1.076 8.839 1.00 0.00 C ATOM 1159 C LYS A 71 -9.556 -1.214 8.904 1.00 0.00 C ATOM 1160 O LYS A 71 -9.052 -1.917 9.785 1.00 0.00 O ATOM 1161 CB LYS A 71 -11.735 -1.608 7.566 1.00 0.00 C ATOM 1162 CG LYS A 71 -11.392 -3.043 7.183 1.00 0.00 C ATOM 1163 CD LYS A 71 -12.449 -3.570 6.204 1.00 0.00 C ATOM 1164 CE LYS A 71 -11.790 -4.377 5.090 1.00 0.00 C ATOM 1165 NZ LYS A 71 -12.793 -5.134 4.303 1.00 0.00 N ATOM 0 H LYS A 71 -12.092 0.608 8.180 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.415 -1.685 9.679 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.816 -1.533 7.680 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.455 -0.956 6.738 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.403 -3.084 6.726 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.358 -3.671 8.073 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.168 -4.193 6.736 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.005 -2.736 5.777 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.239 -3.707 4.431 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.065 -5.069 5.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.312 -5.672 3.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.302 -5.791 4.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.470 -4.471 3.874 1.00 0.00 H new ATOM 1179 N PHE A 72 -8.812 -0.574 8.001 1.00 0.00 N ATOM 1180 CA PHE A 72 -7.366 -0.763 7.920 1.00 0.00 C ATOM 1181 C PHE A 72 -6.601 0.015 8.992 1.00 0.00 C ATOM 1182 O PHE A 72 -5.631 -0.529 9.532 1.00 0.00 O ATOM 1183 CB PHE A 72 -6.872 -0.473 6.498 1.00 0.00 C ATOM 1184 CG PHE A 72 -7.156 -1.645 5.574 1.00 0.00 C ATOM 1185 CD1 PHE A 72 -6.337 -2.784 5.647 1.00 0.00 C ATOM 1186 CD2 PHE A 72 -8.268 -1.651 4.713 1.00 0.00 C ATOM 1187 CE1 PHE A 72 -6.635 -3.933 4.895 1.00 0.00 C ATOM 1188 CE2 PHE A 72 -8.557 -2.789 3.942 1.00 0.00 C ATOM 1189 CZ PHE A 72 -7.747 -3.935 4.036 1.00 0.00 C ATOM 0 H PHE A 72 -9.189 0.080 7.315 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.154 -1.810 8.137 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.360 0.423 6.115 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -5.801 -0.270 6.515 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.468 -2.776 6.289 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -8.901 -0.779 4.644 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.012 -4.811 4.977 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -9.405 -2.784 3.274 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.979 -4.813 3.451 1.00 0.00 H new ATOM 1199 N SER A 73 -7.068 1.216 9.361 1.00 0.00 N ATOM 1200 CA SER A 73 -6.464 2.125 10.344 1.00 0.00 C ATOM 1201 C SER A 73 -6.150 1.405 11.656 1.00 0.00 C ATOM 1202 O SER A 73 -5.181 1.765 12.325 1.00 0.00 O ATOM 1203 CB SER A 73 -7.395 3.342 10.559 1.00 0.00 C ATOM 1204 OG SER A 73 -6.899 4.316 11.464 1.00 0.00 O ATOM 0 H SER A 73 -7.924 1.600 8.960 1.00 0.00 H new ATOM 0 HA SER A 73 -5.510 2.483 9.957 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.575 3.819 9.596 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.359 2.985 10.923 1.00 0.00 H new ATOM 0 HG SER A 73 -7.193 5.207 11.180 1.00 0.00 H new ATOM 1210 N LYS A 74 -6.888 0.336 11.990 1.00 0.00 N ATOM 1211 CA LYS A 74 -6.719 -0.423 13.219 1.00 0.00 C ATOM 1212 C LYS A 74 -5.253 -0.726 13.541 1.00 0.00 C ATOM 1213 O LYS A 74 -4.872 -0.595 14.703 1.00 0.00 O ATOM 1214 CB LYS A 74 -7.571 -1.708 13.161 1.00 0.00 C ATOM 1215 CG LYS A 74 -7.538 -2.369 14.544 1.00 0.00 C ATOM 1216 CD LYS A 74 -8.504 -3.542 14.749 1.00 0.00 C ATOM 1217 CE LYS A 74 -8.351 -4.098 16.174 1.00 0.00 C ATOM 1218 NZ LYS A 74 -8.547 -3.071 17.227 1.00 0.00 N ATOM 0 H LYS A 74 -7.633 -0.026 11.394 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.072 0.199 14.041 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.597 -1.471 12.877 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.180 -2.389 12.405 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.524 -2.721 14.733 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.756 -1.609 15.294 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.530 -3.213 14.585 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.300 -4.325 14.019 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.071 -4.903 16.322 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.358 -4.535 16.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.685 -3.538 18.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.709 -2.457 17.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.385 -2.498 17.001 1.00 0.00 H new ATOM 1232 N LYS A 75 -4.449 -1.180 12.579 1.00 0.00 N ATOM 1233 CA LYS A 75 -3.076 -1.633 12.852 1.00 0.00 C ATOM 1234 C LYS A 75 -2.139 -1.387 11.666 1.00 0.00 C ATOM 1235 O LYS A 75 -1.101 -2.041 11.545 1.00 0.00 O ATOM 1236 CB LYS A 75 -3.119 -3.102 13.283 1.00 0.00 C ATOM 1237 CG LYS A 75 -1.949 -3.505 14.204 1.00 0.00 C ATOM 1238 CD LYS A 75 -2.097 -4.941 14.726 1.00 0.00 C ATOM 1239 CE LYS A 75 -1.838 -5.972 13.614 1.00 0.00 C ATOM 1240 NZ LYS A 75 -2.088 -7.368 14.027 1.00 0.00 N ATOM 0 H LYS A 75 -4.722 -1.246 11.598 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.656 -1.044 13.667 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.060 -3.294 13.798 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.107 -3.734 12.395 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.010 -3.412 13.659 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.897 -2.816 15.047 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.398 -5.105 15.546 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.100 -5.082 15.128 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.471 -5.737 12.758 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.804 -5.881 13.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.893 -8.006 13.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.466 -7.611 14.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.081 -7.471 14.319 1.00 0.00 H new ATOM 1254 N ILE A 76 -2.565 -0.563 10.712 1.00 0.00 N ATOM 1255 CA ILE A 76 -1.843 -0.285 9.473 1.00 0.00 C ATOM 1256 C ILE A 76 -1.918 1.220 9.239 1.00 0.00 C ATOM 1257 O ILE A 76 -3.008 1.793 9.178 1.00 0.00 O ATOM 1258 CB ILE A 76 -2.395 -1.100 8.276 1.00 0.00 C ATOM 1259 CG1 ILE A 76 -2.528 -2.603 8.606 1.00 0.00 C ATOM 1260 CG2 ILE A 76 -1.410 -0.914 7.109 1.00 0.00 C ATOM 1261 CD1 ILE A 76 -3.162 -3.477 7.516 1.00 0.00 C ATOM 0 H ILE A 76 -3.447 -0.056 10.781 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.803 -0.598 9.563 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.394 -0.742 8.026 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.535 -2.995 8.827 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.120 -2.704 9.515 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.763 -1.474 6.243 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.343 0.144 6.855 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.426 -1.280 7.402 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.204 -4.511 7.858 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.171 -3.123 7.307 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.562 -3.419 6.608 1.00 0.00 H new ATOM 1273 N GLU A 77 -0.754 1.852 9.125 1.00 0.00 N ATOM 1274 CA GLU A 77 -0.605 3.278 8.885 1.00 0.00 C ATOM 1275 C GLU A 77 -0.882 3.557 7.405 1.00 0.00 C ATOM 1276 O GLU A 77 -0.307 2.913 6.529 1.00 0.00 O ATOM 1277 CB GLU A 77 0.814 3.690 9.305 1.00 0.00 C ATOM 1278 CG GLU A 77 0.899 3.684 10.838 1.00 0.00 C ATOM 1279 CD GLU A 77 2.311 3.893 11.385 1.00 0.00 C ATOM 1280 OE1 GLU A 77 2.824 5.029 11.360 1.00 0.00 O ATOM 1281 OE2 GLU A 77 2.891 2.922 11.937 1.00 0.00 O ATOM 0 H GLU A 77 0.140 1.366 9.200 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.314 3.865 9.469 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.547 3.002 8.884 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.049 4.682 8.918 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.249 4.466 11.230 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.514 2.734 11.209 1.00 0.00 H new ATOM 1288 N ILE A 78 -1.786 4.485 7.095 1.00 0.00 N ATOM 1289 CA ILE A 78 -2.135 4.790 5.712 1.00 0.00 C ATOM 1290 C ILE A 78 -1.343 6.022 5.279 1.00 0.00 C ATOM 1291 O ILE A 78 -1.312 7.035 5.987 1.00 0.00 O ATOM 1292 CB ILE A 78 -3.664 4.908 5.559 1.00 0.00 C ATOM 1293 CG1 ILE A 78 -4.358 3.619 6.063 1.00 0.00 C ATOM 1294 CG2 ILE A 78 -4.040 5.113 4.082 1.00 0.00 C ATOM 1295 CD1 ILE A 78 -5.201 3.842 7.319 1.00 0.00 C ATOM 0 H ILE A 78 -2.290 5.039 7.787 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.855 3.983 5.035 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.994 5.763 6.149 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.994 3.223 5.271 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.600 2.863 6.271 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.123 5.195 3.990 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.575 6.026 3.711 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.689 4.264 3.496 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.660 2.901 7.621 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.565 4.210 8.124 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.980 4.575 7.109 1.00 0.00 H new ATOM 1307 N TYR A 79 -0.687 5.900 4.126 1.00 0.00 N ATOM 1308 CA TYR A 79 0.228 6.863 3.537 1.00 0.00 C ATOM 1309 C TYR A 79 -0.340 7.363 2.217 1.00 0.00 C ATOM 1310 O TYR A 79 -1.042 6.622 1.522 1.00 0.00 O ATOM 1311 CB TYR A 79 1.595 6.204 3.320 1.00 0.00 C ATOM 1312 CG TYR A 79 2.486 6.157 4.548 1.00 0.00 C ATOM 1313 CD1 TYR A 79 2.256 5.227 5.579 1.00 0.00 C ATOM 1314 CD2 TYR A 79 3.576 7.038 4.639 1.00 0.00 C ATOM 1315 CE1 TYR A 79 3.150 5.139 6.665 1.00 0.00 C ATOM 1316 CE2 TYR A 79 4.480 6.951 5.709 1.00 0.00 C ATOM 1317 CZ TYR A 79 4.277 5.989 6.723 1.00 0.00 C ATOM 1318 OH TYR A 79 5.133 5.921 7.778 1.00 0.00 O ATOM 0 H TYR A 79 -0.791 5.069 3.544 1.00 0.00 H new ATOM 0 HA TYR A 79 0.352 7.713 4.208 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.438 5.186 2.964 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.119 6.741 2.529 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.393 4.579 5.538 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.720 7.790 3.878 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.974 4.422 7.453 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.328 7.618 5.757 1.00 0.00 H new ATOM 0 HH TYR A 79 5.854 6.574 7.657 1.00 0.00 H new ATOM 1328 N HIS A 80 -0.036 8.615 1.872 1.00 0.00 N ATOM 1329 CA HIS A 80 -0.482 9.196 0.617 1.00 0.00 C ATOM 1330 C HIS A 80 0.557 8.889 -0.452 1.00 0.00 C ATOM 1331 O HIS A 80 1.760 8.927 -0.179 1.00 0.00 O ATOM 1332 CB HIS A 80 -0.716 10.714 0.747 1.00 0.00 C ATOM 1333 CG HIS A 80 -1.815 11.252 -0.153 1.00 0.00 C ATOM 1334 ND1 HIS A 80 -1.863 12.505 -0.733 1.00 0.00 N ATOM 1335 CD2 HIS A 80 -2.964 10.596 -0.519 1.00 0.00 C ATOM 1336 CE1 HIS A 80 -3.015 12.589 -1.425 1.00 0.00 C ATOM 1337 NE2 HIS A 80 -3.709 11.447 -1.332 1.00 0.00 N ATOM 0 H HIS A 80 0.520 9.244 2.451 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.440 8.758 0.336 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.964 10.945 1.783 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.214 11.235 0.518 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -3.242 9.594 -0.227 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.336 13.459 -1.979 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.607 11.241 -1.770 1.00 0.00 H new ATOM 1345 N ALA A 81 0.099 8.608 -1.670 1.00 0.00 N ATOM 1346 CA ALA A 81 0.953 8.692 -2.836 1.00 0.00 C ATOM 1347 C ALA A 81 1.219 10.175 -3.111 1.00 0.00 C ATOM 1348 O ALA A 81 0.332 11.015 -2.961 1.00 0.00 O ATOM 1349 CB ALA A 81 0.273 8.024 -4.036 1.00 0.00 C ATOM 0 H ALA A 81 -0.860 8.321 -1.868 1.00 0.00 H new ATOM 0 HA ALA A 81 1.895 8.172 -2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.924 8.093 -4.908 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.081 6.975 -3.808 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.670 8.528 -4.247 1.00 0.00 H new ATOM 1355 N GLU A 82 2.411 10.492 -3.597 1.00 0.00 N ATOM 1356 CA GLU A 82 2.839 11.825 -3.997 1.00 0.00 C ATOM 1357 C GLU A 82 2.947 11.935 -5.515 1.00 0.00 C ATOM 1358 O GLU A 82 3.468 12.933 -6.011 1.00 0.00 O ATOM 1359 CB GLU A 82 4.156 12.160 -3.271 1.00 0.00 C ATOM 1360 CG GLU A 82 3.936 12.679 -1.845 1.00 0.00 C ATOM 1361 CD GLU A 82 3.358 14.098 -1.838 1.00 0.00 C ATOM 1362 OE1 GLU A 82 4.124 15.071 -2.046 1.00 0.00 O ATOM 1363 OE2 GLU A 82 2.122 14.232 -1.680 1.00 0.00 O ATOM 0 H GLU A 82 3.141 9.792 -3.729 1.00 0.00 H new ATOM 0 HA GLU A 82 2.093 12.564 -3.703 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.782 11.269 -3.235 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.701 12.909 -3.845 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.260 12.009 -1.315 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.883 12.670 -1.305 1.00 0.00 H new ATOM 1370 N GLY A 83 2.497 10.930 -6.267 1.00 0.00 N ATOM 1371 CA GLY A 83 2.669 10.886 -7.706 1.00 0.00 C ATOM 1372 C GLY A 83 1.871 9.742 -8.323 1.00 0.00 C ATOM 1373 O GLY A 83 1.128 9.051 -7.625 1.00 0.00 O ATOM 0 H GLY A 83 2.002 10.124 -5.886 1.00 0.00 H new ATOM 0 HA2 GLY A 83 2.349 11.832 -8.142 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.726 10.766 -7.945 1.00 0.00 H new ATOM 1377 N ASP A 84 2.031 9.535 -9.630 1.00 0.00 N ATOM 1378 CA ASP A 84 1.517 8.369 -10.363 1.00 0.00 C ATOM 1379 C ASP A 84 2.654 7.407 -10.711 1.00 0.00 C ATOM 1380 O ASP A 84 2.391 6.255 -11.067 1.00 0.00 O ATOM 1381 CB ASP A 84 0.804 8.820 -11.649 1.00 0.00 C ATOM 1382 CG ASP A 84 -0.552 9.457 -11.375 1.00 0.00 C ATOM 1383 OD1 ASP A 84 -0.604 10.680 -11.080 1.00 0.00 O ATOM 1384 OD2 ASP A 84 -1.569 8.731 -11.382 1.00 0.00 O ATOM 0 H ASP A 84 2.535 10.190 -10.228 1.00 0.00 H new ATOM 0 HA ASP A 84 0.804 7.851 -9.723 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.436 9.533 -12.179 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.671 7.961 -12.307 1.00 0.00 H new ATOM 1389 N ASP A 85 3.908 7.868 -10.589 1.00 0.00 N ATOM 1390 CA ASP A 85 5.109 7.050 -10.753 1.00 0.00 C ATOM 1391 C ASP A 85 5.239 6.147 -9.535 1.00 0.00 C ATOM 1392 O ASP A 85 5.544 6.616 -8.431 1.00 0.00 O ATOM 1393 CB ASP A 85 6.378 7.897 -10.869 1.00 0.00 C ATOM 1394 CG ASP A 85 7.516 7.146 -11.548 1.00 0.00 C ATOM 1395 OD1 ASP A 85 7.594 7.174 -12.798 1.00 0.00 O ATOM 1396 OD2 ASP A 85 8.373 6.609 -10.822 1.00 0.00 O ATOM 0 H ASP A 85 4.115 8.842 -10.369 1.00 0.00 H new ATOM 0 HA ASP A 85 5.006 6.478 -11.675 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.157 8.803 -11.433 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.695 8.210 -9.874 1.00 0.00 H new ATOM 1401 N VAL A 86 4.962 4.863 -9.708 1.00 0.00 N ATOM 1402 CA VAL A 86 5.173 3.872 -8.660 1.00 0.00 C ATOM 1403 C VAL A 86 6.619 3.928 -8.175 1.00 0.00 C ATOM 1404 O VAL A 86 6.839 3.886 -6.970 1.00 0.00 O ATOM 1405 CB VAL A 86 4.844 2.474 -9.189 1.00 0.00 C ATOM 1406 CG1 VAL A 86 5.208 1.381 -8.176 1.00 0.00 C ATOM 1407 CG2 VAL A 86 3.372 2.335 -9.577 1.00 0.00 C ATOM 0 H VAL A 86 4.586 4.479 -10.575 1.00 0.00 H new ATOM 0 HA VAL A 86 4.513 4.093 -7.821 1.00 0.00 H new ATOM 0 HB VAL A 86 5.452 2.343 -10.084 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.959 0.404 -8.590 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.276 1.423 -7.963 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.648 1.538 -7.254 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.187 1.326 -9.947 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.746 2.522 -8.704 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.132 3.057 -10.357 1.00 0.00 H new ATOM 1417 N ASP A 87 7.596 4.028 -9.075 1.00 0.00 N ATOM 1418 CA ASP A 87 9.001 3.846 -8.709 1.00 0.00 C ATOM 1419 C ASP A 87 9.464 5.055 -7.881 1.00 0.00 C ATOM 1420 O ASP A 87 10.197 4.900 -6.895 1.00 0.00 O ATOM 1421 CB ASP A 87 9.870 3.559 -9.958 1.00 0.00 C ATOM 1422 CG ASP A 87 9.767 2.117 -10.489 1.00 0.00 C ATOM 1423 OD1 ASP A 87 8.803 1.387 -10.145 1.00 0.00 O ATOM 1424 OD2 ASP A 87 10.639 1.689 -11.280 1.00 0.00 O ATOM 0 H ASP A 87 7.441 4.234 -10.062 1.00 0.00 H new ATOM 0 HA ASP A 87 9.120 2.964 -8.080 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.581 4.247 -10.752 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.912 3.771 -9.717 1.00 0.00 H new ATOM 1429 N LYS A 88 8.949 6.263 -8.175 1.00 0.00 N ATOM 1430 CA LYS A 88 9.100 7.421 -7.299 1.00 0.00 C ATOM 1431 C LYS A 88 8.495 7.108 -5.935 1.00 0.00 C ATOM 1432 O LYS A 88 9.116 7.349 -4.908 1.00 0.00 O ATOM 1433 CB LYS A 88 8.424 8.656 -7.930 1.00 0.00 C ATOM 1434 CG LYS A 88 8.657 9.992 -7.204 1.00 0.00 C ATOM 1435 CD LYS A 88 10.109 10.250 -6.769 1.00 0.00 C ATOM 1436 CE LYS A 88 10.520 11.728 -6.758 1.00 0.00 C ATOM 1437 NZ LYS A 88 9.640 12.623 -5.975 1.00 0.00 N ATOM 0 H LYS A 88 8.420 6.455 -9.025 1.00 0.00 H new ATOM 0 HA LYS A 88 10.159 7.645 -7.170 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.778 8.755 -8.956 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.351 8.473 -7.979 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.340 10.804 -7.858 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.018 10.025 -6.322 1.00 0.00 H new ATOM 0 HD2 LYS A 88 10.253 9.839 -5.770 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.777 9.706 -7.437 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.533 11.804 -6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.553 12.087 -7.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.610 13.560 -6.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.680 12.224 -5.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.011 12.715 -5.008 1.00 0.00 H new ATOM 1451 N ASN A 89 7.269 6.592 -5.899 1.00 0.00 N ATOM 1452 CA ASN A 89 6.529 6.442 -4.652 1.00 0.00 C ATOM 1453 C ASN A 89 7.057 5.295 -3.793 1.00 0.00 C ATOM 1454 O ASN A 89 6.906 5.329 -2.575 1.00 0.00 O ATOM 1455 CB ASN A 89 5.043 6.261 -4.969 1.00 0.00 C ATOM 1456 CG ASN A 89 4.407 7.623 -5.195 1.00 0.00 C ATOM 1457 OD1 ASN A 89 3.789 8.178 -4.301 1.00 0.00 O ATOM 1458 ND2 ASN A 89 4.586 8.237 -6.351 1.00 0.00 N ATOM 0 H ASN A 89 6.766 6.269 -6.725 1.00 0.00 H new ATOM 0 HA ASN A 89 6.668 7.347 -4.061 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.922 5.639 -5.856 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.544 5.746 -4.148 1.00 0.00 H new ATOM 0 HD21 ASN A 89 4.208 9.173 -6.495 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.102 7.775 -7.099 1.00 0.00 H new ATOM 1465 N ILE A 90 7.641 4.255 -4.389 1.00 0.00 N ATOM 1466 CA ILE A 90 8.332 3.196 -3.674 1.00 0.00 C ATOM 1467 C ILE A 90 9.555 3.840 -3.029 1.00 0.00 C ATOM 1468 O ILE A 90 9.704 3.739 -1.813 1.00 0.00 O ATOM 1469 CB ILE A 90 8.667 2.022 -4.628 1.00 0.00 C ATOM 1470 CG1 ILE A 90 7.403 1.190 -4.950 1.00 0.00 C ATOM 1471 CG2 ILE A 90 9.756 1.103 -4.030 1.00 0.00 C ATOM 1472 CD1 ILE A 90 7.611 0.083 -5.988 1.00 0.00 C ATOM 0 H ILE A 90 7.644 4.128 -5.401 1.00 0.00 H new ATOM 0 HA ILE A 90 7.715 2.748 -2.895 1.00 0.00 H new ATOM 0 HB ILE A 90 9.049 2.458 -5.551 1.00 0.00 H new ATOM 0 HG12 ILE A 90 7.037 0.740 -4.027 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.624 1.863 -5.308 1.00 0.00 H new ATOM 0 HG21 ILE A 90 9.967 0.290 -4.724 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.665 1.680 -3.859 1.00 0.00 H new ATOM 0 HG23 ILE A 90 9.405 0.690 -3.084 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.672 -0.446 -6.149 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.945 0.523 -6.927 1.00 0.00 H new ATOM 0 HD13 ILE A 90 8.364 -0.617 -5.627 1.00 0.00 H new ATOM 1484 N SER A 91 10.407 4.508 -3.812 1.00 0.00 N ATOM 1485 CA SER A 91 11.653 5.049 -3.293 1.00 0.00 C ATOM 1486 C SER A 91 11.416 6.096 -2.193 1.00 0.00 C ATOM 1487 O SER A 91 12.110 6.077 -1.173 1.00 0.00 O ATOM 1488 CB SER A 91 12.546 5.523 -4.447 1.00 0.00 C ATOM 1489 OG SER A 91 11.893 6.408 -5.341 1.00 0.00 O ATOM 0 H SER A 91 10.251 4.684 -4.805 1.00 0.00 H new ATOM 0 HA SER A 91 12.204 4.255 -2.788 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.425 6.018 -4.035 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.900 4.654 -5.002 1.00 0.00 H new ATOM 0 HG SER A 91 11.316 5.896 -5.945 1.00 0.00 H new ATOM 1495 N LEU A 92 10.391 6.946 -2.336 1.00 0.00 N ATOM 1496 CA LEU A 92 9.993 7.897 -1.299 1.00 0.00 C ATOM 1497 C LEU A 92 9.564 7.179 -0.016 1.00 0.00 C ATOM 1498 O LEU A 92 9.753 7.708 1.078 1.00 0.00 O ATOM 1499 CB LEU A 92 8.821 8.771 -1.781 1.00 0.00 C ATOM 1500 CG LEU A 92 9.149 9.820 -2.861 1.00 0.00 C ATOM 1501 CD1 LEU A 92 7.841 10.370 -3.448 1.00 0.00 C ATOM 1502 CD2 LEU A 92 9.965 11.000 -2.333 1.00 0.00 C ATOM 0 H LEU A 92 9.816 6.991 -3.177 1.00 0.00 H new ATOM 0 HA LEU A 92 10.863 8.520 -1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.041 8.115 -2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.403 9.288 -0.918 1.00 0.00 H new ATOM 0 HG LEU A 92 9.751 9.311 -3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 92 8.069 11.113 -4.213 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.271 9.555 -3.893 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.253 10.834 -2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.160 11.700 -3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.406 11.505 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.911 10.637 -1.931 1.00 0.00 H new ATOM 1514 N PHE A 93 8.942 6.004 -0.111 1.00 0.00 N ATOM 1515 CA PHE A 93 8.480 5.282 1.066 1.00 0.00 C ATOM 1516 C PHE A 93 9.651 4.672 1.842 1.00 0.00 C ATOM 1517 O PHE A 93 9.655 4.728 3.069 1.00 0.00 O ATOM 1518 CB PHE A 93 7.474 4.209 0.657 1.00 0.00 C ATOM 1519 CG PHE A 93 7.033 3.373 1.833 1.00 0.00 C ATOM 1520 CD1 PHE A 93 6.161 3.911 2.802 1.00 0.00 C ATOM 1521 CD2 PHE A 93 7.567 2.084 1.994 1.00 0.00 C ATOM 1522 CE1 PHE A 93 5.824 3.157 3.939 1.00 0.00 C ATOM 1523 CE2 PHE A 93 7.204 1.324 3.113 1.00 0.00 C ATOM 1524 CZ PHE A 93 6.351 1.864 4.095 1.00 0.00 C ATOM 0 H PHE A 93 8.748 5.534 -0.995 1.00 0.00 H new ATOM 0 HA PHE A 93 7.986 5.989 1.732 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.604 4.682 0.201 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.919 3.564 -0.100 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.752 4.902 2.670 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.251 1.682 1.261 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.164 3.569 4.688 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.580 0.318 3.224 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.101 1.283 4.970 1.00 0.00 H new ATOM 1534 N ILE A 94 10.641 4.107 1.148 1.00 0.00 N ATOM 1535 CA ILE A 94 11.859 3.544 1.726 1.00 0.00 C ATOM 1536 C ILE A 94 12.503 4.565 2.668 1.00 0.00 C ATOM 1537 O ILE A 94 12.752 4.250 3.829 1.00 0.00 O ATOM 1538 CB ILE A 94 12.829 3.122 0.599 1.00 0.00 C ATOM 1539 CG1 ILE A 94 12.232 2.025 -0.306 1.00 0.00 C ATOM 1540 CG2 ILE A 94 14.155 2.612 1.172 1.00 0.00 C ATOM 1541 CD1 ILE A 94 13.036 1.864 -1.606 1.00 0.00 C ATOM 0 H ILE A 94 10.614 4.027 0.132 1.00 0.00 H new ATOM 0 HA ILE A 94 11.614 2.655 2.307 1.00 0.00 H new ATOM 0 HB ILE A 94 13.002 4.016 0.000 1.00 0.00 H new ATOM 0 HG12 ILE A 94 12.216 1.077 0.232 1.00 0.00 H new ATOM 0 HG13 ILE A 94 11.198 2.273 -0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.817 2.323 0.356 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.626 3.401 1.758 1.00 0.00 H new ATOM 0 HG23 ILE A 94 13.967 1.749 1.810 1.00 0.00 H new ATOM 0 HD11 ILE A 94 12.586 1.082 -2.218 1.00 0.00 H new ATOM 0 HD12 ILE A 94 13.030 2.805 -2.157 1.00 0.00 H new ATOM 0 HD13 ILE A 94 14.064 1.590 -1.367 1.00 0.00 H new ATOM 1553 N GLU A 95 12.767 5.772 2.165 1.00 0.00 N ATOM 1554 CA GLU A 95 13.339 6.867 2.944 1.00 0.00 C ATOM 1555 C GLU A 95 12.344 7.407 3.976 1.00 0.00 C ATOM 1556 O GLU A 95 12.762 8.023 4.954 1.00 0.00 O ATOM 1557 CB GLU A 95 13.776 7.974 1.968 1.00 0.00 C ATOM 1558 CG GLU A 95 15.209 7.747 1.450 1.00 0.00 C ATOM 1559 CD GLU A 95 16.247 8.558 2.230 1.00 0.00 C ATOM 1560 OE1 GLU A 95 16.510 9.712 1.817 1.00 0.00 O ATOM 1561 OE2 GLU A 95 16.796 8.055 3.244 1.00 0.00 O ATOM 0 H GLU A 95 12.586 6.018 1.192 1.00 0.00 H new ATOM 0 HA GLU A 95 14.199 6.501 3.505 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.086 8.008 1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.719 8.942 2.467 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.454 6.687 1.519 1.00 0.00 H new ATOM 0 HG3 GLU A 95 15.258 8.018 0.395 1.00 0.00 H new ATOM 1568 N GLY A 96 11.043 7.175 3.789 1.00 0.00 N ATOM 1569 CA GLY A 96 9.993 7.720 4.632 1.00 0.00 C ATOM 1570 C GLY A 96 9.792 9.209 4.365 1.00 0.00 C ATOM 1571 O GLY A 96 9.514 9.982 5.281 1.00 0.00 O ATOM 0 H GLY A 96 10.690 6.591 3.031 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.061 7.185 4.449 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.248 7.566 5.681 1.00 0.00 H new ATOM 1575 N GLU A 97 9.965 9.633 3.114 1.00 0.00 N ATOM 1576 CA GLU A 97 9.519 10.913 2.603 1.00 0.00 C ATOM 1577 C GLU A 97 7.986 10.978 2.590 1.00 0.00 C ATOM 1578 O GLU A 97 7.446 12.010 2.982 1.00 0.00 O ATOM 1579 CB GLU A 97 10.108 11.093 1.198 1.00 0.00 C ATOM 1580 CG GLU A 97 11.318 12.029 1.153 1.00 0.00 C ATOM 1581 CD GLU A 97 10.924 13.508 1.306 1.00 0.00 C ATOM 1582 OE1 GLU A 97 9.987 13.983 0.628 1.00 0.00 O ATOM 1583 OE2 GLU A 97 11.506 14.191 2.186 1.00 0.00 O ATOM 0 H GLU A 97 10.438 9.068 2.408 1.00 0.00 H new ATOM 0 HA GLU A 97 9.863 11.725 3.244 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.400 10.118 0.808 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.334 11.482 0.536 1.00 0.00 H new ATOM 0 HG2 GLU A 97 12.013 11.757 1.947 1.00 0.00 H new ATOM 0 HG3 GLU A 97 11.844 11.892 0.208 1.00 0.00 H new ATOM 1590 N LEU A 98 7.284 9.907 2.187 1.00 0.00 N ATOM 1591 CA LEU A 98 5.824 9.952 2.029 1.00 0.00 C ATOM 1592 C LEU A 98 5.121 10.332 3.328 1.00 0.00 C ATOM 1593 O LEU A 98 5.455 9.853 4.413 1.00 0.00 O ATOM 1594 CB LEU A 98 5.226 8.621 1.541 1.00 0.00 C ATOM 1595 CG LEU A 98 5.596 8.172 0.120 1.00 0.00 C ATOM 1596 CD1 LEU A 98 4.783 6.917 -0.207 1.00 0.00 C ATOM 1597 CD2 LEU A 98 5.311 9.234 -0.946 1.00 0.00 C ATOM 0 H LEU A 98 7.703 9.004 1.966 1.00 0.00 H new ATOM 0 HA LEU A 98 5.654 10.716 1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.531 7.838 2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 98 4.140 8.695 1.601 1.00 0.00 H new ATOM 0 HG LEU A 98 6.670 7.986 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.028 6.577 -1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.022 6.131 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.719 7.148 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.596 8.851 -1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.248 9.474 -0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.886 10.133 -0.727 1.00 0.00 H new ATOM 1609 N SER A 99 4.081 11.146 3.179 1.00 0.00 N ATOM 1610 CA SER A 99 3.213 11.581 4.250 1.00 0.00 C ATOM 1611 C SER A 99 2.255 10.471 4.665 1.00 0.00 C ATOM 1612 O SER A 99 1.719 9.763 3.807 1.00 0.00 O ATOM 1613 CB SER A 99 2.429 12.778 3.717 1.00 0.00 C ATOM 1614 OG SER A 99 3.293 13.879 3.515 1.00 0.00 O ATOM 0 H SER A 99 3.816 11.531 2.272 1.00 0.00 H new ATOM 0 HA SER A 99 3.797 11.846 5.131 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.941 12.513 2.779 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.642 13.049 4.421 1.00 0.00 H new ATOM 0 HG SER A 99 2.779 14.639 3.172 1.00 0.00 H new ATOM 1620 N LYS A 100 1.973 10.366 5.968 1.00 0.00 N ATOM 1621 CA LYS A 100 0.784 9.662 6.439 1.00 0.00 C ATOM 1622 C LYS A 100 -0.428 10.559 6.209 1.00 0.00 C ATOM 1623 O LYS A 100 -0.304 11.780 6.236 1.00 0.00 O ATOM 1624 CB LYS A 100 0.929 9.248 7.913 1.00 0.00 C ATOM 1625 CG LYS A 100 1.972 8.123 8.013 1.00 0.00 C ATOM 1626 CD LYS A 100 1.965 7.336 9.331 1.00 0.00 C ATOM 1627 CE LYS A 100 2.376 8.132 10.572 1.00 0.00 C ATOM 1628 NZ LYS A 100 3.827 8.421 10.650 1.00 0.00 N ATOM 0 H LYS A 100 2.552 10.759 6.710 1.00 0.00 H new ATOM 0 HA LYS A 100 0.652 8.736 5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 100 1.237 10.102 8.516 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.030 8.909 8.306 1.00 0.00 H new ATOM 0 HG2 LYS A 100 1.809 7.425 7.192 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.963 8.555 7.872 1.00 0.00 H new ATOM 0 HD2 LYS A 100 0.963 6.937 9.491 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.635 6.483 9.229 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.827 9.074 10.585 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.078 7.577 11.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 4.027 8.962 11.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 4.358 7.527 10.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 4.115 8.977 9.820 1.00 0.00 H new ATOM 1642 N ILE A 101 -1.592 9.949 5.997 1.00 0.00 N ATOM 1643 CA ILE A 101 -2.841 10.658 5.715 1.00 0.00 C ATOM 1644 C ILE A 101 -3.457 11.137 7.030 1.00 0.00 C ATOM 1645 O ILE A 101 -3.752 12.318 7.176 1.00 0.00 O ATOM 1646 CB ILE A 101 -3.781 9.743 4.890 1.00 0.00 C ATOM 1647 CG1 ILE A 101 -3.137 9.540 3.501 1.00 0.00 C ATOM 1648 CG2 ILE A 101 -5.214 10.303 4.768 1.00 0.00 C ATOM 1649 CD1 ILE A 101 -4.005 8.754 2.522 1.00 0.00 C ATOM 0 H ILE A 101 -1.697 8.935 6.016 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.659 11.545 5.109 1.00 0.00 H new ATOM 0 HB ILE A 101 -3.891 8.790 5.407 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.914 10.516 3.070 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.187 9.021 3.625 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -5.824 9.617 4.179 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.648 10.412 5.762 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.184 11.275 4.276 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.482 8.655 1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.208 7.764 2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -4.946 9.281 2.365 1.00 0.00 H new