USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 745 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -5.51! C(o=-5.5!,f=-8.6!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.212 USER MOD Single : A 14 GLN : amide:sc= -0.296 K(o=-0.3,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 179:sc= -8.65! (180deg=-8.69!) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0353) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.0247 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 162:sc= -0.404 USER MOD Single : A 42 CYS SG : rot 19:sc= -0.0218 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 50 THR OG1 : rot 180:sc=-0.00706 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 81:sc= 0.0151! USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 165:sc= -0.0528 USER MOD Single : A 68 ASN : amide:sc= -0.231 K(o=-0.23,f=-2.2) USER MOD Single : A 69 THR OG1 : rot -53:sc= 0.117 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc=-0.00275 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN :FLIP amide:sc= -0.0205 F(o=-1.6!,f=-0.021) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 82 N LEU A 5 115.670 9.423 4.489 1.00 0.00 N ATOM 83 CA LEU A 5 115.741 8.077 5.046 1.00 0.00 C ATOM 84 C LEU A 5 115.163 8.053 6.462 1.00 0.00 C ATOM 85 O LEU A 5 114.633 7.032 6.923 1.00 0.00 O ATOM 86 CB LEU A 5 117.198 7.602 5.078 1.00 0.00 C ATOM 87 CG LEU A 5 117.252 6.138 5.521 1.00 0.00 C ATOM 88 CD1 LEU A 5 116.566 5.256 4.474 1.00 0.00 C ATOM 89 CD2 LEU A 5 118.710 5.705 5.675 1.00 0.00 C ATOM 0 HA LEU A 5 115.155 7.409 4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 5 117.648 7.711 4.091 1.00 0.00 H new ATOM 0 HB3 LEU A 5 117.778 8.221 5.763 1.00 0.00 H new ATOM 0 HG LEU A 5 116.737 6.032 6.476 1.00 0.00 H new ATOM 0 HD11 LEU A 5 116.606 4.214 4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 5 115.526 5.562 4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 5 117.077 5.363 3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 5 118.749 4.662 5.991 1.00 0.00 H new ATOM 0 HD22 LEU A 5 119.225 5.815 4.721 1.00 0.00 H new ATOM 0 HD23 LEU A 5 119.198 6.329 6.424 1.00 0.00 H new ATOM 101 N SER A 6 115.266 9.184 7.152 1.00 0.00 N ATOM 102 CA SER A 6 114.751 9.284 8.512 1.00 0.00 C ATOM 103 C SER A 6 113.276 8.891 8.549 1.00 0.00 C ATOM 104 O SER A 6 112.778 8.401 9.563 1.00 0.00 O ATOM 105 CB SER A 6 114.913 10.713 9.029 1.00 0.00 C ATOM 106 OG SER A 6 114.887 10.703 10.451 1.00 0.00 O ATOM 0 H SER A 6 115.697 10.037 6.796 1.00 0.00 H new ATOM 0 HA SER A 6 115.317 8.604 9.149 1.00 0.00 H new ATOM 0 HB2 SER A 6 115.852 11.136 8.674 1.00 0.00 H new ATOM 0 HB3 SER A 6 114.113 11.345 8.643 1.00 0.00 H new ATOM 0 HG SER A 6 114.992 11.618 10.787 1.00 0.00 H new ATOM 112 N GLN A 7 112.583 9.107 7.436 1.00 0.00 N ATOM 113 CA GLN A 7 111.168 8.769 7.354 1.00 0.00 C ATOM 114 C GLN A 7 110.956 7.291 7.664 1.00 0.00 C ATOM 115 O GLN A 7 110.069 6.933 8.442 1.00 0.00 O ATOM 116 CB GLN A 7 110.636 9.082 5.951 1.00 0.00 C ATOM 117 CG GLN A 7 109.131 8.806 5.896 1.00 0.00 C ATOM 118 CD GLN A 7 108.398 9.716 6.876 1.00 0.00 C ATOM 119 OE1 GLN A 7 108.754 10.885 7.023 1.00 0.00 O ATOM 120 NE2 GLN A 7 107.391 9.246 7.560 1.00 0.00 N ATOM 0 H GLN A 7 112.975 9.511 6.585 1.00 0.00 H new ATOM 0 HA GLN A 7 110.625 9.365 8.088 1.00 0.00 H new ATOM 0 HB2 GLN A 7 110.834 10.124 5.701 1.00 0.00 H new ATOM 0 HB3 GLN A 7 111.154 8.473 5.211 1.00 0.00 H new ATOM 0 HG2 GLN A 7 108.759 8.972 4.885 1.00 0.00 H new ATOM 0 HG3 GLN A 7 108.935 7.762 6.140 1.00 0.00 H new ATOM 0 HE21 GLN A 7 107.098 8.277 7.436 1.00 0.00 H new ATOM 0 HE22 GLN A 7 106.897 9.848 8.219 1.00 0.00 H new ATOM 129 N HIS A 8 111.773 6.438 7.055 1.00 0.00 N ATOM 130 CA HIS A 8 111.666 5.000 7.284 1.00 0.00 C ATOM 131 C HIS A 8 111.866 4.688 8.762 1.00 0.00 C ATOM 132 O HIS A 8 111.088 3.945 9.360 1.00 0.00 O ATOM 133 CB HIS A 8 112.716 4.262 6.455 1.00 0.00 C ATOM 134 CG HIS A 8 112.307 4.268 5.007 1.00 0.00 C ATOM 135 ND1 HIS A 8 111.374 3.376 4.501 1.00 0.00 N ATOM 136 CD2 HIS A 8 112.694 5.048 3.946 1.00 0.00 C ATOM 137 CE1 HIS A 8 111.231 3.639 3.189 1.00 0.00 C ATOM 138 NE2 HIS A 8 112.013 4.650 2.799 1.00 0.00 N ATOM 0 H HIS A 8 112.510 6.713 6.405 1.00 0.00 H new ATOM 0 HA HIS A 8 110.672 4.669 6.983 1.00 0.00 H new ATOM 0 HB2 HIS A 8 113.689 4.740 6.571 1.00 0.00 H new ATOM 0 HB3 HIS A 8 112.821 3.237 6.810 1.00 0.00 H new ATOM 0 HD2 HIS A 8 113.417 5.849 3.994 1.00 0.00 H new ATOM 0 HE1 HIS A 8 110.566 3.099 2.532 1.00 0.00 H new ATOM 0 HE2 HIS A 8 112.094 5.045 1.862 1.00 0.00 H new ATOM 147 N GLU A 9 112.913 5.261 9.345 1.00 0.00 N ATOM 148 CA GLU A 9 113.199 5.036 10.763 1.00 0.00 C ATOM 149 C GLU A 9 111.945 5.280 11.602 1.00 0.00 C ATOM 150 O GLU A 9 111.711 4.607 12.614 1.00 0.00 O ATOM 151 CB GLU A 9 114.316 5.975 11.223 1.00 0.00 C ATOM 152 CG GLU A 9 114.668 5.678 12.682 1.00 0.00 C ATOM 153 CD GLU A 9 115.800 6.589 13.141 1.00 0.00 C ATOM 154 OE1 GLU A 9 116.001 6.693 14.340 1.00 0.00 O ATOM 155 OE2 GLU A 9 116.450 7.171 12.288 1.00 0.00 O ATOM 0 H GLU A 9 113.572 5.877 8.868 1.00 0.00 H new ATOM 0 HA GLU A 9 113.518 4.002 10.896 1.00 0.00 H new ATOM 0 HB2 GLU A 9 115.196 5.846 10.593 1.00 0.00 H new ATOM 0 HB3 GLU A 9 113.999 7.013 11.119 1.00 0.00 H new ATOM 0 HG2 GLU A 9 113.792 5.826 13.313 1.00 0.00 H new ATOM 0 HG3 GLU A 9 114.964 4.634 12.788 1.00 0.00 H new ATOM 162 N ARG A 10 111.130 6.239 11.170 1.00 0.00 N ATOM 163 CA ARG A 10 109.893 6.554 11.873 1.00 0.00 C ATOM 164 C ARG A 10 108.812 5.547 11.522 1.00 0.00 C ATOM 165 O ARG A 10 108.163 5.001 12.392 1.00 0.00 O ATOM 166 CB ARG A 10 109.425 7.964 11.517 1.00 0.00 C ATOM 167 CG ARG A 10 108.062 8.231 12.150 1.00 0.00 C ATOM 168 CD ARG A 10 107.726 9.717 12.031 1.00 0.00 C ATOM 169 NE ARG A 10 107.605 10.099 10.630 1.00 0.00 N ATOM 170 CZ ARG A 10 107.429 11.367 10.277 1.00 0.00 C ATOM 171 NH1 ARG A 10 107.323 11.684 9.015 1.00 0.00 N ATOM 172 NH2 ARG A 10 107.363 12.296 11.191 1.00 0.00 N ATOM 0 H ARG A 10 111.304 6.808 10.341 1.00 0.00 H new ATOM 0 HA ARG A 10 110.085 6.505 12.945 1.00 0.00 H new ATOM 0 HB2 ARG A 10 110.150 8.698 11.870 1.00 0.00 H new ATOM 0 HB3 ARG A 10 109.361 8.074 10.434 1.00 0.00 H new ATOM 0 HG2 ARG A 10 107.296 7.634 11.655 1.00 0.00 H new ATOM 0 HG3 ARG A 10 108.071 7.932 13.198 1.00 0.00 H new ATOM 0 HD2 ARG A 10 106.794 9.929 12.554 1.00 0.00 H new ATOM 0 HD3 ARG A 10 108.503 10.312 12.511 1.00 0.00 H new ATOM 0 HE ARG A 10 107.656 9.380 9.908 1.00 0.00 H new ATOM 0 HH11 ARG A 10 107.375 10.958 8.301 1.00 0.00 H new ATOM 0 HH12 ARG A 10 107.188 12.658 8.743 1.00 0.00 H new ATOM 0 HH21 ARG A 10 107.447 12.048 12.177 1.00 0.00 H new ATOM 0 HH22 ARG A 10 107.228 13.270 10.920 1.00 0.00 H new ATOM 186 N TYR A 11 108.619 5.313 10.233 1.00 0.00 N ATOM 187 CA TYR A 11 107.606 4.366 9.782 1.00 0.00 C ATOM 188 C TYR A 11 107.793 3.021 10.473 1.00 0.00 C ATOM 189 O TYR A 11 106.832 2.381 10.882 1.00 0.00 O ATOM 190 CB TYR A 11 107.714 4.174 8.265 1.00 0.00 C ATOM 191 CG TYR A 11 106.779 3.074 7.825 1.00 0.00 C ATOM 192 CD1 TYR A 11 107.208 1.741 7.849 1.00 0.00 C ATOM 193 CD2 TYR A 11 105.484 3.384 7.395 1.00 0.00 C ATOM 194 CE1 TYR A 11 106.341 0.720 7.443 1.00 0.00 C ATOM 195 CE2 TYR A 11 104.616 2.363 6.989 1.00 0.00 C ATOM 196 CZ TYR A 11 105.046 1.030 7.013 1.00 0.00 C ATOM 197 OH TYR A 11 104.190 0.023 6.613 1.00 0.00 O ATOM 0 H TYR A 11 109.146 5.762 9.484 1.00 0.00 H new ATOM 0 HA TYR A 11 106.623 4.763 10.033 1.00 0.00 H new ATOM 0 HB2 TYR A 11 107.465 5.103 7.752 1.00 0.00 H new ATOM 0 HB3 TYR A 11 108.739 3.924 7.992 1.00 0.00 H new ATOM 0 HD1 TYR A 11 108.207 1.501 8.181 1.00 0.00 H new ATOM 0 HD2 TYR A 11 105.154 4.412 7.376 1.00 0.00 H new ATOM 0 HE1 TYR A 11 106.672 -0.308 7.462 1.00 0.00 H new ATOM 0 HE2 TYR A 11 103.616 2.603 6.658 1.00 0.00 H new ATOM 0 HH TYR A 11 103.331 0.411 6.346 1.00 0.00 H new ATOM 207 N VAL A 12 109.039 2.591 10.597 1.00 0.00 N ATOM 208 CA VAL A 12 109.324 1.308 11.228 1.00 0.00 C ATOM 209 C VAL A 12 108.870 1.294 12.679 1.00 0.00 C ATOM 210 O VAL A 12 108.030 0.486 13.067 1.00 0.00 O ATOM 211 CB VAL A 12 110.831 1.027 11.168 1.00 0.00 C ATOM 212 CG1 VAL A 12 111.221 0.059 12.288 1.00 0.00 C ATOM 213 CG2 VAL A 12 111.179 0.401 9.818 1.00 0.00 C ATOM 0 H VAL A 12 109.861 3.102 10.274 1.00 0.00 H new ATOM 0 HA VAL A 12 108.776 0.537 10.687 1.00 0.00 H new ATOM 0 HB VAL A 12 111.376 1.963 11.291 1.00 0.00 H new ATOM 0 HG11 VAL A 12 112.292 -0.138 12.242 1.00 0.00 H new ATOM 0 HG12 VAL A 12 110.975 0.501 13.253 1.00 0.00 H new ATOM 0 HG13 VAL A 12 110.674 -0.876 12.167 1.00 0.00 H new ATOM 0 HG21 VAL A 12 112.250 0.201 9.775 1.00 0.00 H new ATOM 0 HG22 VAL A 12 110.630 -0.533 9.698 1.00 0.00 H new ATOM 0 HG23 VAL A 12 110.906 1.088 9.017 1.00 0.00 H new ATOM 223 N GLU A 13 109.433 2.189 13.480 1.00 0.00 N ATOM 224 CA GLU A 13 109.088 2.248 14.897 1.00 0.00 C ATOM 225 C GLU A 13 107.661 2.741 15.099 1.00 0.00 C ATOM 226 O GLU A 13 106.908 2.179 15.886 1.00 0.00 O ATOM 227 CB GLU A 13 110.060 3.181 15.627 1.00 0.00 C ATOM 228 CG GLU A 13 109.766 3.154 17.129 1.00 0.00 C ATOM 229 CD GLU A 13 110.773 4.026 17.873 1.00 0.00 C ATOM 230 OE1 GLU A 13 110.508 4.358 19.016 1.00 0.00 O ATOM 231 OE2 GLU A 13 111.794 4.349 17.288 1.00 0.00 O ATOM 0 H GLU A 13 110.123 2.877 13.179 1.00 0.00 H new ATOM 0 HA GLU A 13 109.163 1.240 15.306 1.00 0.00 H new ATOM 0 HB2 GLU A 13 111.088 2.869 15.442 1.00 0.00 H new ATOM 0 HB3 GLU A 13 109.961 4.197 15.245 1.00 0.00 H new ATOM 0 HG2 GLU A 13 108.754 3.512 17.316 1.00 0.00 H new ATOM 0 HG3 GLU A 13 109.815 2.130 17.499 1.00 0.00 H new ATOM 238 N GLN A 14 107.303 3.793 14.386 1.00 0.00 N ATOM 239 CA GLN A 14 105.973 4.372 14.504 1.00 0.00 C ATOM 240 C GLN A 14 104.919 3.394 14.016 1.00 0.00 C ATOM 241 O GLN A 14 104.220 2.783 14.816 1.00 0.00 O ATOM 242 CB GLN A 14 105.887 5.667 13.692 1.00 0.00 C ATOM 243 CG GLN A 14 104.568 6.383 13.996 1.00 0.00 C ATOM 244 CD GLN A 14 104.540 6.829 15.456 1.00 0.00 C ATOM 245 OE1 GLN A 14 105.563 7.247 15.998 1.00 0.00 O ATOM 246 NE2 GLN A 14 103.423 6.762 16.128 1.00 0.00 N ATOM 0 H GLN A 14 107.913 4.265 13.719 1.00 0.00 H new ATOM 0 HA GLN A 14 105.789 4.593 15.555 1.00 0.00 H new ATOM 0 HB2 GLN A 14 106.728 6.316 13.935 1.00 0.00 H new ATOM 0 HB3 GLN A 14 105.954 5.444 12.627 1.00 0.00 H new ATOM 0 HG2 GLN A 14 104.454 7.247 13.341 1.00 0.00 H new ATOM 0 HG3 GLN A 14 103.729 5.718 13.794 1.00 0.00 H new ATOM 0 HE21 GLN A 14 102.576 6.415 15.677 1.00 0.00 H new ATOM 0 HE22 GLN A 14 103.397 7.056 17.104 1.00 0.00 H new ATOM 255 N LEU A 15 104.790 3.271 12.703 1.00 0.00 N ATOM 256 CA LEU A 15 103.791 2.383 12.132 1.00 0.00 C ATOM 257 C LEU A 15 103.612 1.147 13.003 1.00 0.00 C ATOM 258 O LEU A 15 102.485 0.749 13.310 1.00 0.00 O ATOM 259 CB LEU A 15 104.224 1.952 10.722 1.00 0.00 C ATOM 260 CG LEU A 15 103.004 1.560 9.887 1.00 0.00 C ATOM 261 CD1 LEU A 15 102.261 0.420 10.572 1.00 0.00 C ATOM 262 CD2 LEU A 15 102.075 2.771 9.743 1.00 0.00 C ATOM 0 H LEU A 15 105.359 3.770 12.019 1.00 0.00 H new ATOM 0 HA LEU A 15 102.843 2.919 12.079 1.00 0.00 H new ATOM 0 HB2 LEU A 15 104.760 2.766 10.234 1.00 0.00 H new ATOM 0 HB3 LEU A 15 104.914 1.110 10.788 1.00 0.00 H new ATOM 0 HG LEU A 15 103.328 1.234 8.899 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.392 0.142 9.976 1.00 0.00 H new ATOM 0 HD12 LEU A 15 102.924 -0.440 10.670 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.935 0.741 11.561 1.00 0.00 H new ATOM 0 HD21 LEU A 15 101.205 2.493 9.148 1.00 0.00 H new ATOM 0 HD22 LEU A 15 101.750 3.100 10.730 1.00 0.00 H new ATOM 0 HD23 LEU A 15 102.609 3.582 9.248 1.00 0.00 H new ATOM 274 N LYS A 16 104.718 0.553 13.421 1.00 0.00 N ATOM 275 CA LYS A 16 104.652 -0.632 14.270 1.00 0.00 C ATOM 276 C LYS A 16 103.784 -0.365 15.500 1.00 0.00 C ATOM 277 O LYS A 16 102.951 -1.190 15.877 1.00 0.00 O ATOM 278 CB LYS A 16 106.059 -1.041 14.702 1.00 0.00 C ATOM 279 CG LYS A 16 106.685 -1.936 13.629 1.00 0.00 C ATOM 280 CD LYS A 16 108.092 -2.352 14.064 1.00 0.00 C ATOM 281 CE LYS A 16 108.680 -3.316 13.038 1.00 0.00 C ATOM 282 NZ LYS A 16 109.819 -4.053 13.651 1.00 0.00 N ATOM 0 H LYS A 16 105.662 0.864 13.192 1.00 0.00 H new ATOM 0 HA LYS A 16 104.202 -1.444 13.699 1.00 0.00 H new ATOM 0 HB2 LYS A 16 106.675 -0.155 14.856 1.00 0.00 H new ATOM 0 HB3 LYS A 16 106.019 -1.571 15.654 1.00 0.00 H new ATOM 0 HG2 LYS A 16 106.066 -2.819 13.472 1.00 0.00 H new ATOM 0 HG3 LYS A 16 106.730 -1.404 12.678 1.00 0.00 H new ATOM 0 HD2 LYS A 16 108.729 -1.473 14.159 1.00 0.00 H new ATOM 0 HD3 LYS A 16 108.055 -2.826 15.045 1.00 0.00 H new ATOM 0 HE2 LYS A 16 107.917 -4.018 12.702 1.00 0.00 H new ATOM 0 HE3 LYS A 16 109.018 -2.768 12.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 110.211 -4.723 12.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 110.557 -3.377 13.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 109.486 -4.574 14.487 1.00 0.00 H new ATOM 296 N GLN A 17 103.976 0.799 16.115 1.00 0.00 N ATOM 297 CA GLN A 17 103.186 1.175 17.281 1.00 0.00 C ATOM 298 C GLN A 17 101.706 1.240 16.905 1.00 0.00 C ATOM 299 O GLN A 17 100.861 0.579 17.521 1.00 0.00 O ATOM 300 CB GLN A 17 103.648 2.533 17.809 1.00 0.00 C ATOM 301 CG GLN A 17 105.009 2.377 18.486 1.00 0.00 C ATOM 302 CD GLN A 17 105.542 3.743 18.901 1.00 0.00 C ATOM 303 OE1 GLN A 17 104.882 4.759 18.684 1.00 0.00 O ATOM 304 NE2 GLN A 17 106.703 3.828 19.490 1.00 0.00 N ATOM 0 H GLN A 17 104.666 1.492 15.827 1.00 0.00 H new ATOM 0 HA GLN A 17 103.324 0.426 18.061 1.00 0.00 H new ATOM 0 HB2 GLN A 17 103.716 3.250 16.991 1.00 0.00 H new ATOM 0 HB3 GLN A 17 102.920 2.927 18.518 1.00 0.00 H new ATOM 0 HG2 GLN A 17 104.918 1.732 19.360 1.00 0.00 H new ATOM 0 HG3 GLN A 17 105.710 1.895 17.805 1.00 0.00 H new ATOM 0 HE21 GLN A 17 107.247 2.984 19.668 1.00 0.00 H new ATOM 0 HE22 GLN A 17 107.066 4.738 19.772 1.00 0.00 H new ATOM 313 N ALA A 18 101.398 2.026 15.878 1.00 0.00 N ATOM 314 CA ALA A 18 100.023 2.152 15.400 1.00 0.00 C ATOM 315 C ALA A 18 99.455 0.782 15.039 1.00 0.00 C ATOM 316 O ALA A 18 98.246 0.619 14.875 1.00 0.00 O ATOM 317 CB ALA A 18 99.968 3.071 14.181 1.00 0.00 C ATOM 0 H ALA A 18 102.078 2.584 15.362 1.00 0.00 H new ATOM 0 HA ALA A 18 99.421 2.584 16.199 1.00 0.00 H new ATOM 0 HB1 ALA A 18 98.938 3.156 13.835 1.00 0.00 H new ATOM 0 HB2 ALA A 18 100.342 4.058 14.452 1.00 0.00 H new ATOM 0 HB3 ALA A 18 100.585 2.656 13.384 1.00 0.00 H new ATOM 323 N LEU A 19 100.343 -0.194 14.920 1.00 0.00 N ATOM 324 CA LEU A 19 99.936 -1.560 14.607 1.00 0.00 C ATOM 325 C LEU A 19 99.622 -2.343 15.881 1.00 0.00 C ATOM 326 O LEU A 19 98.572 -2.969 16.001 1.00 0.00 O ATOM 327 CB LEU A 19 101.021 -2.275 13.805 1.00 0.00 C ATOM 328 CG LEU A 19 100.570 -2.419 12.353 1.00 0.00 C ATOM 329 CD1 LEU A 19 101.714 -3.003 11.526 1.00 0.00 C ATOM 330 CD2 LEU A 19 99.361 -3.355 12.283 1.00 0.00 C ATOM 0 H LEU A 19 101.349 -0.068 15.035 1.00 0.00 H new ATOM 0 HA LEU A 19 99.030 -1.508 14.003 1.00 0.00 H new ATOM 0 HB2 LEU A 19 101.954 -1.713 13.853 1.00 0.00 H new ATOM 0 HB3 LEU A 19 101.218 -3.257 14.235 1.00 0.00 H new ATOM 0 HG LEU A 19 100.294 -1.441 11.958 1.00 0.00 H new ATOM 0 HD11 LEU A 19 101.396 -3.108 10.489 1.00 0.00 H new ATOM 0 HD12 LEU A 19 102.576 -2.338 11.576 1.00 0.00 H new ATOM 0 HD13 LEU A 19 101.987 -3.981 11.922 1.00 0.00 H new ATOM 0 HD21 LEU A 19 99.040 -3.457 11.246 1.00 0.00 H new ATOM 0 HD22 LEU A 19 99.635 -4.334 12.676 1.00 0.00 H new ATOM 0 HD23 LEU A 19 98.546 -2.941 12.876 1.00 0.00 H new ATOM 342 N LYS A 20 100.555 -2.308 16.827 1.00 0.00 N ATOM 343 CA LYS A 20 100.379 -3.025 18.084 1.00 0.00 C ATOM 344 C LYS A 20 98.962 -2.846 18.611 1.00 0.00 C ATOM 345 O LYS A 20 98.335 -3.798 19.074 1.00 0.00 O ATOM 346 CB LYS A 20 101.376 -2.503 19.121 1.00 0.00 C ATOM 347 CG LYS A 20 101.290 -3.357 20.389 1.00 0.00 C ATOM 348 CD LYS A 20 102.320 -2.865 21.407 1.00 0.00 C ATOM 349 CE LYS A 20 102.251 -3.735 22.663 1.00 0.00 C ATOM 350 NZ LYS A 20 103.280 -3.278 23.640 1.00 0.00 N ATOM 0 H LYS A 20 101.433 -1.795 16.748 1.00 0.00 H new ATOM 0 HA LYS A 20 100.556 -4.085 17.904 1.00 0.00 H new ATOM 0 HB2 LYS A 20 102.388 -2.535 18.716 1.00 0.00 H new ATOM 0 HB3 LYS A 20 101.160 -1.461 19.356 1.00 0.00 H new ATOM 0 HG2 LYS A 20 100.287 -3.298 20.813 1.00 0.00 H new ATOM 0 HG3 LYS A 20 101.473 -4.404 20.148 1.00 0.00 H new ATOM 0 HD2 LYS A 20 103.321 -2.907 20.977 1.00 0.00 H new ATOM 0 HD3 LYS A 20 102.126 -1.823 21.662 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.258 -3.672 23.108 1.00 0.00 H new ATOM 0 HE3 LYS A 20 102.419 -4.780 22.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 103.234 -3.869 24.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 104.225 -3.360 23.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 103.100 -2.286 23.895 1.00 0.00 H new ATOM 364 N THR A 21 98.462 -1.624 18.526 1.00 0.00 N ATOM 365 CA THR A 21 97.109 -1.326 18.994 1.00 0.00 C ATOM 366 C THR A 21 96.083 -2.182 18.257 1.00 0.00 C ATOM 367 O THR A 21 95.041 -2.534 18.811 1.00 0.00 O ATOM 368 CB THR A 21 96.790 0.156 18.774 1.00 0.00 C ATOM 369 OG1 THR A 21 95.426 0.294 18.395 1.00 0.00 O ATOM 370 CG2 THR A 21 97.684 0.717 17.668 1.00 0.00 C ATOM 0 H THR A 21 98.965 -0.824 18.141 1.00 0.00 H new ATOM 0 HA THR A 21 97.059 -1.554 20.059 1.00 0.00 H new ATOM 0 HB THR A 21 96.971 0.706 19.698 1.00 0.00 H new ATOM 0 HG1 THR A 21 95.220 1.242 18.255 1.00 0.00 H new ATOM 0 HG21 THR A 21 97.454 1.771 17.514 1.00 0.00 H new ATOM 0 HG22 THR A 21 98.730 0.612 17.957 1.00 0.00 H new ATOM 0 HG23 THR A 21 97.506 0.168 16.743 1.00 0.00 H new ATOM 378 N ARG A 22 96.383 -2.514 17.008 1.00 0.00 N ATOM 379 CA ARG A 22 95.479 -3.330 16.204 1.00 0.00 C ATOM 380 C ARG A 22 95.466 -4.767 16.706 1.00 0.00 C ATOM 381 O ARG A 22 94.654 -5.581 16.261 1.00 0.00 O ATOM 382 CB ARG A 22 95.913 -3.301 14.736 1.00 0.00 C ATOM 383 CG ARG A 22 95.953 -1.854 14.235 1.00 0.00 C ATOM 384 CD ARG A 22 94.528 -1.303 14.137 1.00 0.00 C ATOM 385 NE ARG A 22 94.512 -0.101 13.315 1.00 0.00 N ATOM 386 CZ ARG A 22 94.670 1.105 13.851 1.00 0.00 C ATOM 387 NH1 ARG A 22 94.647 2.165 13.091 1.00 0.00 N ATOM 388 NH2 ARG A 22 94.848 1.229 15.138 1.00 0.00 N ATOM 0 H ARG A 22 97.240 -2.233 16.531 1.00 0.00 H new ATOM 0 HA ARG A 22 94.473 -2.919 16.292 1.00 0.00 H new ATOM 0 HB2 ARG A 22 96.896 -3.760 14.629 1.00 0.00 H new ATOM 0 HB3 ARG A 22 95.220 -3.886 14.131 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.545 -1.240 14.914 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.438 -1.810 13.260 1.00 0.00 H new ATOM 0 HD2 ARG A 22 93.867 -2.056 13.707 1.00 0.00 H new ATOM 0 HD3 ARG A 22 94.148 -1.077 15.133 1.00 0.00 H new ATOM 0 HE ARG A 22 94.377 -0.186 12.308 1.00 0.00 H new ATOM 0 HH11 ARG A 22 94.508 2.068 12.085 1.00 0.00 H new ATOM 0 HH12 ARG A 22 94.768 3.090 13.503 1.00 0.00 H new ATOM 0 HH21 ARG A 22 94.866 0.400 15.733 1.00 0.00 H new ATOM 0 HH22 ARG A 22 94.969 2.155 15.549 1.00 0.00 H new ATOM 402 N GLY A 23 96.364 -5.071 17.636 1.00 0.00 N ATOM 403 CA GLY A 23 96.442 -6.420 18.198 1.00 0.00 C ATOM 404 C GLY A 23 97.679 -7.153 17.690 1.00 0.00 C ATOM 405 O GLY A 23 97.737 -8.382 17.718 1.00 0.00 O ATOM 0 H GLY A 23 97.043 -4.411 18.016 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.470 -6.363 19.286 1.00 0.00 H new ATOM 0 HA3 GLY A 23 95.547 -6.981 17.931 1.00 0.00 H new ATOM 409 N VAL A 24 98.662 -6.391 17.227 1.00 0.00 N ATOM 410 CA VAL A 24 99.894 -6.973 16.713 1.00 0.00 C ATOM 411 C VAL A 24 101.021 -6.830 17.731 1.00 0.00 C ATOM 412 O VAL A 24 100.866 -6.158 18.747 1.00 0.00 O ATOM 413 CB VAL A 24 100.301 -6.290 15.410 1.00 0.00 C ATOM 414 CG1 VAL A 24 101.472 -7.043 14.773 1.00 0.00 C ATOM 415 CG2 VAL A 24 99.113 -6.287 14.445 1.00 0.00 C ATOM 0 H VAL A 24 98.630 -5.372 17.197 1.00 0.00 H new ATOM 0 HA VAL A 24 99.715 -8.032 16.525 1.00 0.00 H new ATOM 0 HB VAL A 24 100.605 -5.265 15.621 1.00 0.00 H new ATOM 0 HG11 VAL A 24 101.758 -6.551 13.843 1.00 0.00 H new ATOM 0 HG12 VAL A 24 102.319 -7.045 15.458 1.00 0.00 H new ATOM 0 HG13 VAL A 24 101.173 -8.070 14.563 1.00 0.00 H new ATOM 0 HG21 VAL A 24 99.402 -5.800 13.514 1.00 0.00 H new ATOM 0 HG22 VAL A 24 98.809 -7.313 14.238 1.00 0.00 H new ATOM 0 HG23 VAL A 24 98.280 -5.746 14.895 1.00 0.00 H new ATOM 425 N LYS A 25 102.152 -7.475 17.454 1.00 0.00 N ATOM 426 CA LYS A 25 103.299 -7.402 18.349 1.00 0.00 C ATOM 427 C LYS A 25 104.467 -6.705 17.660 1.00 0.00 C ATOM 428 O LYS A 25 104.664 -6.854 16.454 1.00 0.00 O ATOM 429 CB LYS A 25 103.721 -8.806 18.779 1.00 0.00 C ATOM 430 CG LYS A 25 102.620 -9.432 19.636 1.00 0.00 C ATOM 431 CD LYS A 25 103.037 -10.841 20.056 1.00 0.00 C ATOM 432 CE LYS A 25 101.957 -11.446 20.955 1.00 0.00 C ATOM 433 NZ LYS A 25 100.802 -11.878 20.120 1.00 0.00 N ATOM 0 H LYS A 25 102.296 -8.049 16.623 1.00 0.00 H new ATOM 0 HA LYS A 25 103.013 -6.827 19.230 1.00 0.00 H new ATOM 0 HB2 LYS A 25 103.909 -9.425 17.902 1.00 0.00 H new ATOM 0 HB3 LYS A 25 104.653 -8.760 19.343 1.00 0.00 H new ATOM 0 HG2 LYS A 25 102.438 -8.818 20.518 1.00 0.00 H new ATOM 0 HG3 LYS A 25 101.686 -9.470 19.075 1.00 0.00 H new ATOM 0 HD2 LYS A 25 103.184 -11.466 19.175 1.00 0.00 H new ATOM 0 HD3 LYS A 25 103.989 -10.807 20.586 1.00 0.00 H new ATOM 0 HE2 LYS A 25 102.360 -12.296 21.505 1.00 0.00 H new ATOM 0 HE3 LYS A 25 101.632 -10.714 21.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 100.120 -12.395 20.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 100.339 -11.042 19.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 101.139 -12.499 19.356 1.00 0.00 H new ATOM 447 N VAL A 26 105.238 -5.943 18.434 1.00 0.00 N ATOM 448 CA VAL A 26 106.385 -5.223 17.885 1.00 0.00 C ATOM 449 C VAL A 26 107.663 -5.596 18.636 1.00 0.00 C ATOM 450 O VAL A 26 108.083 -4.901 19.559 1.00 0.00 O ATOM 451 CB VAL A 26 106.150 -3.715 17.985 1.00 0.00 C ATOM 452 CG1 VAL A 26 104.840 -3.355 17.285 1.00 0.00 C ATOM 453 CG2 VAL A 26 106.066 -3.310 19.460 1.00 0.00 C ATOM 0 H VAL A 26 105.091 -5.809 19.434 1.00 0.00 H new ATOM 0 HA VAL A 26 106.500 -5.503 16.838 1.00 0.00 H new ATOM 0 HB VAL A 26 106.975 -3.186 17.507 1.00 0.00 H new ATOM 0 HG11 VAL A 26 104.673 -2.280 17.356 1.00 0.00 H new ATOM 0 HG12 VAL A 26 104.897 -3.644 16.236 1.00 0.00 H new ATOM 0 HG13 VAL A 26 104.015 -3.883 17.763 1.00 0.00 H new ATOM 0 HG21 VAL A 26 105.899 -2.235 19.533 1.00 0.00 H new ATOM 0 HG22 VAL A 26 105.241 -3.839 19.936 1.00 0.00 H new ATOM 0 HG23 VAL A 26 106.999 -3.567 19.962 1.00 0.00 H new ATOM 463 N LYS A 27 108.278 -6.698 18.228 1.00 0.00 N ATOM 464 CA LYS A 27 109.508 -7.159 18.864 1.00 0.00 C ATOM 465 C LYS A 27 110.705 -6.949 17.944 1.00 0.00 C ATOM 466 O LYS A 27 110.547 -6.692 16.761 1.00 0.00 O ATOM 467 CB LYS A 27 109.395 -8.639 19.225 1.00 0.00 C ATOM 468 CG LYS A 27 108.908 -9.423 18.005 1.00 0.00 C ATOM 469 CD LYS A 27 109.050 -10.921 18.274 1.00 0.00 C ATOM 470 CE LYS A 27 108.346 -11.708 17.166 1.00 0.00 C ATOM 471 NZ LYS A 27 108.805 -13.126 17.196 1.00 0.00 N ATOM 0 H LYS A 27 107.949 -7.288 17.464 1.00 0.00 H new ATOM 0 HA LYS A 27 109.657 -6.576 19.773 1.00 0.00 H new ATOM 0 HB2 LYS A 27 110.362 -9.020 19.553 1.00 0.00 H new ATOM 0 HB3 LYS A 27 108.702 -8.770 20.056 1.00 0.00 H new ATOM 0 HG2 LYS A 27 107.867 -9.177 17.793 1.00 0.00 H new ATOM 0 HG3 LYS A 27 109.487 -9.144 17.125 1.00 0.00 H new ATOM 0 HD2 LYS A 27 110.104 -11.195 18.316 1.00 0.00 H new ATOM 0 HD3 LYS A 27 108.617 -11.170 19.243 1.00 0.00 H new ATOM 0 HE2 LYS A 27 107.266 -11.661 17.302 1.00 0.00 H new ATOM 0 HE3 LYS A 27 108.564 -11.264 16.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 108.327 -13.662 16.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 109.834 -13.161 17.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 108.575 -13.546 18.119 1.00 0.00 H new ATOM 485 N TYR A 28 111.903 -7.058 18.496 1.00 0.00 N ATOM 486 CA TYR A 28 113.119 -6.883 17.705 1.00 0.00 C ATOM 487 C TYR A 28 113.129 -7.840 16.515 1.00 0.00 C ATOM 488 O TYR A 28 113.580 -7.491 15.419 1.00 0.00 O ATOM 489 CB TYR A 28 114.348 -7.135 18.579 1.00 0.00 C ATOM 490 CG TYR A 28 115.598 -6.965 17.751 1.00 0.00 C ATOM 491 CD1 TYR A 28 115.964 -5.693 17.294 1.00 0.00 C ATOM 492 CD2 TYR A 28 116.391 -8.075 17.438 1.00 0.00 C ATOM 493 CE1 TYR A 28 117.123 -5.531 16.527 1.00 0.00 C ATOM 494 CE2 TYR A 28 117.550 -7.914 16.670 1.00 0.00 C ATOM 495 CZ TYR A 28 117.917 -6.642 16.214 1.00 0.00 C ATOM 496 OH TYR A 28 119.059 -6.483 15.457 1.00 0.00 O ATOM 0 H TYR A 28 112.063 -7.265 19.482 1.00 0.00 H new ATOM 0 HA TYR A 28 113.144 -5.860 17.330 1.00 0.00 H new ATOM 0 HB2 TYR A 28 114.358 -6.441 19.419 1.00 0.00 H new ATOM 0 HB3 TYR A 28 114.310 -8.141 18.997 1.00 0.00 H new ATOM 0 HD1 TYR A 28 115.351 -4.836 17.534 1.00 0.00 H new ATOM 0 HD2 TYR A 28 116.108 -9.056 17.789 1.00 0.00 H new ATOM 0 HE1 TYR A 28 117.406 -4.549 16.176 1.00 0.00 H new ATOM 0 HE2 TYR A 28 118.161 -8.771 16.429 1.00 0.00 H new ATOM 0 HH TYR A 28 119.493 -7.353 15.333 1.00 0.00 H new ATOM 506 N ALA A 29 112.626 -9.049 16.734 1.00 0.00 N ATOM 507 CA ALA A 29 112.573 -10.054 15.679 1.00 0.00 C ATOM 508 C ALA A 29 111.753 -9.550 14.496 1.00 0.00 C ATOM 509 O ALA A 29 111.891 -10.040 13.375 1.00 0.00 O ATOM 510 CB ALA A 29 111.969 -11.352 16.211 1.00 0.00 C ATOM 0 H ALA A 29 112.250 -9.357 17.631 1.00 0.00 H new ATOM 0 HA ALA A 29 113.592 -10.247 15.343 1.00 0.00 H new ATOM 0 HB1 ALA A 29 111.936 -12.092 15.412 1.00 0.00 H new ATOM 0 HB2 ALA A 29 112.581 -11.729 17.030 1.00 0.00 H new ATOM 0 HB3 ALA A 29 110.958 -11.162 16.571 1.00 0.00 H new ATOM 516 N ASP A 30 110.892 -8.574 14.758 1.00 0.00 N ATOM 517 CA ASP A 30 110.042 -8.011 13.711 1.00 0.00 C ATOM 518 C ASP A 30 110.861 -7.170 12.745 1.00 0.00 C ATOM 519 O ASP A 30 110.651 -7.213 11.534 1.00 0.00 O ATOM 520 CB ASP A 30 108.936 -7.157 14.331 1.00 0.00 C ATOM 521 CG ASP A 30 108.003 -8.035 15.157 1.00 0.00 C ATOM 522 OD1 ASP A 30 108.142 -9.245 15.089 1.00 0.00 O ATOM 523 OD2 ASP A 30 107.164 -7.483 15.850 1.00 0.00 O ATOM 0 H ASP A 30 110.763 -8.157 15.680 1.00 0.00 H new ATOM 0 HA ASP A 30 109.592 -8.836 13.159 1.00 0.00 H new ATOM 0 HB2 ASP A 30 109.373 -6.382 14.961 1.00 0.00 H new ATOM 0 HB3 ASP A 30 108.373 -6.650 13.547 1.00 0.00 H new ATOM 528 N LEU A 31 111.795 -6.399 13.287 1.00 0.00 N ATOM 529 CA LEU A 31 112.642 -5.552 12.456 1.00 0.00 C ATOM 530 C LEU A 31 113.502 -6.407 11.536 1.00 0.00 C ATOM 531 O LEU A 31 113.705 -6.080 10.379 1.00 0.00 O ATOM 532 CB LEU A 31 113.549 -4.690 13.344 1.00 0.00 C ATOM 533 CG LEU A 31 112.761 -3.494 13.886 1.00 0.00 C ATOM 534 CD1 LEU A 31 112.134 -3.868 15.232 1.00 0.00 C ATOM 535 CD2 LEU A 31 113.700 -2.306 14.075 1.00 0.00 C ATOM 0 H LEU A 31 111.985 -6.342 14.288 1.00 0.00 H new ATOM 0 HA LEU A 31 112.004 -4.907 11.852 1.00 0.00 H new ATOM 0 HB2 LEU A 31 113.937 -5.286 14.170 1.00 0.00 H new ATOM 0 HB3 LEU A 31 114.409 -4.341 12.771 1.00 0.00 H new ATOM 0 HG LEU A 31 111.976 -3.225 13.179 1.00 0.00 H new ATOM 0 HD11 LEU A 31 111.572 -3.018 15.620 1.00 0.00 H new ATOM 0 HD12 LEU A 31 111.463 -4.716 15.097 1.00 0.00 H new ATOM 0 HD13 LEU A 31 112.920 -4.136 15.938 1.00 0.00 H new ATOM 0 HD21 LEU A 31 113.138 -1.456 14.461 1.00 0.00 H new ATOM 0 HD22 LEU A 31 114.486 -2.572 14.782 1.00 0.00 H new ATOM 0 HD23 LEU A 31 114.148 -2.040 13.117 1.00 0.00 H new ATOM 547 N LEU A 32 114.022 -7.504 12.062 1.00 0.00 N ATOM 548 CA LEU A 32 114.885 -8.369 11.264 1.00 0.00 C ATOM 549 C LEU A 32 114.163 -8.865 10.019 1.00 0.00 C ATOM 550 O LEU A 32 114.660 -8.720 8.906 1.00 0.00 O ATOM 551 CB LEU A 32 115.312 -9.578 12.105 1.00 0.00 C ATOM 552 CG LEU A 32 115.865 -9.091 13.450 1.00 0.00 C ATOM 553 CD1 LEU A 32 116.261 -10.298 14.306 1.00 0.00 C ATOM 554 CD2 LEU A 32 117.098 -8.216 13.207 1.00 0.00 C ATOM 0 H LEU A 32 113.867 -7.816 13.021 1.00 0.00 H new ATOM 0 HA LEU A 32 115.757 -7.791 10.957 1.00 0.00 H new ATOM 0 HB2 LEU A 32 114.462 -10.241 12.267 1.00 0.00 H new ATOM 0 HB3 LEU A 32 116.070 -10.155 11.575 1.00 0.00 H new ATOM 0 HG LEU A 32 115.101 -8.511 13.968 1.00 0.00 H new ATOM 0 HD11 LEU A 32 116.654 -9.953 15.262 1.00 0.00 H new ATOM 0 HD12 LEU A 32 115.386 -10.925 14.478 1.00 0.00 H new ATOM 0 HD13 LEU A 32 117.025 -10.877 13.787 1.00 0.00 H new ATOM 0 HD21 LEU A 32 117.492 -7.869 14.162 1.00 0.00 H new ATOM 0 HD22 LEU A 32 117.861 -8.798 12.690 1.00 0.00 H new ATOM 0 HD23 LEU A 32 116.820 -7.357 12.596 1.00 0.00 H new ATOM 566 N LYS A 33 112.994 -9.457 10.214 1.00 0.00 N ATOM 567 CA LYS A 33 112.225 -9.991 9.100 1.00 0.00 C ATOM 568 C LYS A 33 111.558 -8.877 8.311 1.00 0.00 C ATOM 569 O LYS A 33 111.708 -8.795 7.106 1.00 0.00 O ATOM 570 CB LYS A 33 111.150 -10.954 9.617 1.00 0.00 C ATOM 571 CG LYS A 33 110.416 -11.593 8.434 1.00 0.00 C ATOM 572 CD LYS A 33 109.368 -12.580 8.954 1.00 0.00 C ATOM 573 CE LYS A 33 108.647 -13.229 7.771 1.00 0.00 C ATOM 574 NZ LYS A 33 107.637 -14.202 8.277 1.00 0.00 N ATOM 0 H LYS A 33 112.559 -9.579 11.128 1.00 0.00 H new ATOM 0 HA LYS A 33 112.914 -10.522 8.443 1.00 0.00 H new ATOM 0 HB2 LYS A 33 111.607 -11.727 10.234 1.00 0.00 H new ATOM 0 HB3 LYS A 33 110.442 -10.418 10.250 1.00 0.00 H new ATOM 0 HG2 LYS A 33 109.937 -10.822 7.831 1.00 0.00 H new ATOM 0 HG3 LYS A 33 111.126 -12.108 7.787 1.00 0.00 H new ATOM 0 HD2 LYS A 33 109.846 -13.345 9.566 1.00 0.00 H new ATOM 0 HD3 LYS A 33 108.651 -12.063 9.592 1.00 0.00 H new ATOM 0 HE2 LYS A 33 108.160 -12.465 7.165 1.00 0.00 H new ATOM 0 HE3 LYS A 33 109.366 -13.736 7.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 107.147 -14.643 7.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 108.113 -14.937 8.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 106.945 -13.705 8.874 1.00 0.00 H new ATOM 588 N PHE A 34 110.808 -8.034 9.001 1.00 0.00 N ATOM 589 CA PHE A 34 110.083 -6.953 8.342 1.00 0.00 C ATOM 590 C PHE A 34 111.019 -6.071 7.524 1.00 0.00 C ATOM 591 O PHE A 34 110.703 -5.693 6.389 1.00 0.00 O ATOM 592 CB PHE A 34 109.379 -6.086 9.394 1.00 0.00 C ATOM 593 CG PHE A 34 108.454 -5.110 8.705 1.00 0.00 C ATOM 594 CD1 PHE A 34 108.899 -3.817 8.401 1.00 0.00 C ATOM 595 CD2 PHE A 34 107.153 -5.499 8.370 1.00 0.00 C ATOM 596 CE1 PHE A 34 108.040 -2.914 7.760 1.00 0.00 C ATOM 597 CE2 PHE A 34 106.294 -4.596 7.730 1.00 0.00 C ATOM 598 CZ PHE A 34 106.738 -3.304 7.425 1.00 0.00 C ATOM 0 H PHE A 34 110.683 -8.074 10.013 1.00 0.00 H new ATOM 0 HA PHE A 34 109.353 -7.404 7.670 1.00 0.00 H new ATOM 0 HB2 PHE A 34 108.814 -6.716 10.081 1.00 0.00 H new ATOM 0 HB3 PHE A 34 110.116 -5.547 9.989 1.00 0.00 H new ATOM 0 HD1 PHE A 34 109.903 -3.516 8.660 1.00 0.00 H new ATOM 0 HD2 PHE A 34 106.810 -6.496 8.605 1.00 0.00 H new ATOM 0 HE1 PHE A 34 108.383 -1.917 7.524 1.00 0.00 H new ATOM 0 HE2 PHE A 34 105.289 -4.897 7.472 1.00 0.00 H new ATOM 0 HZ PHE A 34 106.076 -2.608 6.931 1.00 0.00 H new ATOM 608 N PHE A 35 112.179 -5.770 8.092 1.00 0.00 N ATOM 609 CA PHE A 35 113.154 -4.929 7.412 1.00 0.00 C ATOM 610 C PHE A 35 113.811 -5.675 6.253 1.00 0.00 C ATOM 611 O PHE A 35 113.998 -5.119 5.171 1.00 0.00 O ATOM 612 CB PHE A 35 114.219 -4.461 8.402 1.00 0.00 C ATOM 613 CG PHE A 35 114.905 -3.230 7.869 1.00 0.00 C ATOM 614 CD1 PHE A 35 115.767 -3.327 6.770 1.00 0.00 C ATOM 615 CD2 PHE A 35 114.676 -1.987 8.471 1.00 0.00 C ATOM 616 CE1 PHE A 35 116.400 -2.182 6.273 1.00 0.00 C ATOM 617 CE2 PHE A 35 115.309 -0.841 7.973 1.00 0.00 C ATOM 618 CZ PHE A 35 116.171 -0.939 6.875 1.00 0.00 C ATOM 0 H PHE A 35 112.466 -6.093 9.016 1.00 0.00 H new ATOM 0 HA PHE A 35 112.632 -4.063 7.006 1.00 0.00 H new ATOM 0 HB2 PHE A 35 113.761 -4.244 9.367 1.00 0.00 H new ATOM 0 HB3 PHE A 35 114.949 -5.253 8.566 1.00 0.00 H new ATOM 0 HD1 PHE A 35 115.944 -4.286 6.306 1.00 0.00 H new ATOM 0 HD2 PHE A 35 114.012 -1.912 9.319 1.00 0.00 H new ATOM 0 HE1 PHE A 35 117.065 -2.257 5.425 1.00 0.00 H new ATOM 0 HE2 PHE A 35 115.132 0.118 8.436 1.00 0.00 H new ATOM 0 HZ PHE A 35 116.660 -0.055 6.492 1.00 0.00 H new ATOM 628 N ASP A 36 114.188 -6.930 6.495 1.00 0.00 N ATOM 629 CA ASP A 36 114.843 -7.728 5.471 1.00 0.00 C ATOM 630 C ASP A 36 113.838 -8.186 4.421 1.00 0.00 C ATOM 631 O ASP A 36 114.204 -8.513 3.294 1.00 0.00 O ATOM 632 CB ASP A 36 115.511 -8.947 6.109 1.00 0.00 C ATOM 633 CG ASP A 36 116.695 -8.506 6.964 1.00 0.00 C ATOM 634 OD1 ASP A 36 117.151 -7.389 6.779 1.00 0.00 O ATOM 635 OD2 ASP A 36 117.128 -9.291 7.791 1.00 0.00 O ATOM 0 H ASP A 36 114.051 -7.409 7.385 1.00 0.00 H new ATOM 0 HA ASP A 36 115.599 -7.111 4.985 1.00 0.00 H new ATOM 0 HB2 ASP A 36 114.790 -9.487 6.723 1.00 0.00 H new ATOM 0 HB3 ASP A 36 115.848 -9.635 5.333 1.00 0.00 H new ATOM 640 N PHE A 37 112.565 -8.220 4.805 1.00 0.00 N ATOM 641 CA PHE A 37 111.515 -8.661 3.898 1.00 0.00 C ATOM 642 C PHE A 37 111.393 -7.715 2.714 1.00 0.00 C ATOM 643 O PHE A 37 111.446 -8.139 1.558 1.00 0.00 O ATOM 644 CB PHE A 37 110.175 -8.722 4.638 1.00 0.00 C ATOM 645 CG PHE A 37 109.100 -9.209 3.700 1.00 0.00 C ATOM 646 CD1 PHE A 37 108.980 -10.576 3.424 1.00 0.00 C ATOM 647 CD2 PHE A 37 108.222 -8.296 3.104 1.00 0.00 C ATOM 648 CE1 PHE A 37 107.984 -11.030 2.551 1.00 0.00 C ATOM 649 CE2 PHE A 37 107.226 -8.749 2.232 1.00 0.00 C ATOM 650 CZ PHE A 37 107.106 -10.117 1.954 1.00 0.00 C ATOM 0 H PHE A 37 112.239 -7.949 5.733 1.00 0.00 H new ATOM 0 HA PHE A 37 111.777 -9.653 3.531 1.00 0.00 H new ATOM 0 HB2 PHE A 37 110.252 -9.389 5.496 1.00 0.00 H new ATOM 0 HB3 PHE A 37 109.916 -7.736 5.023 1.00 0.00 H new ATOM 0 HD1 PHE A 37 109.656 -11.281 3.885 1.00 0.00 H new ATOM 0 HD2 PHE A 37 108.314 -7.241 3.317 1.00 0.00 H new ATOM 0 HE1 PHE A 37 107.893 -12.085 2.338 1.00 0.00 H new ATOM 0 HE2 PHE A 37 106.549 -8.044 1.773 1.00 0.00 H new ATOM 0 HZ PHE A 37 106.338 -10.467 1.280 1.00 0.00 H new ATOM 660 N VAL A 38 111.231 -6.428 3.009 1.00 0.00 N ATOM 661 CA VAL A 38 111.100 -5.432 1.951 1.00 0.00 C ATOM 662 C VAL A 38 112.444 -5.156 1.292 1.00 0.00 C ATOM 663 O VAL A 38 112.519 -4.948 0.086 1.00 0.00 O ATOM 664 CB VAL A 38 110.536 -4.131 2.527 1.00 0.00 C ATOM 665 CG1 VAL A 38 109.032 -4.280 2.768 1.00 0.00 C ATOM 666 CG2 VAL A 38 111.232 -3.825 3.855 1.00 0.00 C ATOM 0 H VAL A 38 111.188 -6.055 3.957 1.00 0.00 H new ATOM 0 HA VAL A 38 110.418 -5.825 1.197 1.00 0.00 H new ATOM 0 HB VAL A 38 110.709 -3.318 1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 38 108.635 -3.351 3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 38 108.533 -4.503 1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 38 108.855 -5.092 3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 38 110.834 -2.899 4.270 1.00 0.00 H new ATOM 0 HG22 VAL A 38 111.055 -4.642 4.555 1.00 0.00 H new ATOM 0 HG23 VAL A 38 112.304 -3.716 3.688 1.00 0.00 H new ATOM 676 N LYS A 39 113.500 -5.154 2.092 1.00 0.00 N ATOM 677 CA LYS A 39 114.837 -4.882 1.574 1.00 0.00 C ATOM 678 C LYS A 39 115.187 -5.859 0.459 1.00 0.00 C ATOM 679 O LYS A 39 115.933 -5.522 -0.460 1.00 0.00 O ATOM 680 CB LYS A 39 115.865 -5.004 2.701 1.00 0.00 C ATOM 681 CG LYS A 39 117.235 -4.551 2.197 1.00 0.00 C ATOM 682 CD LYS A 39 118.255 -4.640 3.335 1.00 0.00 C ATOM 683 CE LYS A 39 119.632 -4.215 2.821 1.00 0.00 C ATOM 684 NZ LYS A 39 120.626 -4.307 3.928 1.00 0.00 N ATOM 0 H LYS A 39 113.461 -5.336 3.095 1.00 0.00 H new ATOM 0 HA LYS A 39 114.853 -3.869 1.173 1.00 0.00 H new ATOM 0 HB2 LYS A 39 115.560 -4.395 3.552 1.00 0.00 H new ATOM 0 HB3 LYS A 39 115.917 -6.036 3.049 1.00 0.00 H new ATOM 0 HG2 LYS A 39 117.551 -5.176 1.362 1.00 0.00 H new ATOM 0 HG3 LYS A 39 117.177 -3.528 1.826 1.00 0.00 H new ATOM 0 HD2 LYS A 39 117.950 -3.999 4.162 1.00 0.00 H new ATOM 0 HD3 LYS A 39 118.298 -5.659 3.721 1.00 0.00 H new ATOM 0 HE2 LYS A 39 119.935 -4.854 1.992 1.00 0.00 H new ATOM 0 HE3 LYS A 39 119.590 -3.195 2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 121.562 -4.018 3.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 120.338 -3.680 4.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 120.672 -5.287 4.272 1.00 0.00 H new ATOM 698 N ASP A 40 114.654 -7.073 0.550 1.00 0.00 N ATOM 699 CA ASP A 40 114.936 -8.093 -0.453 1.00 0.00 C ATOM 700 C ASP A 40 114.870 -7.505 -1.859 1.00 0.00 C ATOM 701 O ASP A 40 115.875 -7.468 -2.569 1.00 0.00 O ATOM 702 CB ASP A 40 113.917 -9.231 -0.333 1.00 0.00 C ATOM 703 CG ASP A 40 114.151 -10.006 0.958 1.00 0.00 C ATOM 704 OD1 ASP A 40 113.229 -10.670 1.401 1.00 0.00 O ATOM 705 OD2 ASP A 40 115.248 -9.921 1.485 1.00 0.00 O ATOM 0 H ASP A 40 114.031 -7.372 1.300 1.00 0.00 H new ATOM 0 HA ASP A 40 115.942 -8.475 -0.280 1.00 0.00 H new ATOM 0 HB2 ASP A 40 112.905 -8.827 -0.346 1.00 0.00 H new ATOM 0 HB3 ASP A 40 114.004 -9.900 -1.189 1.00 0.00 H new ATOM 710 N THR A 41 113.687 -7.044 -2.250 1.00 0.00 N ATOM 711 CA THR A 41 113.503 -6.460 -3.575 1.00 0.00 C ATOM 712 C THR A 41 113.159 -4.978 -3.472 1.00 0.00 C ATOM 713 O THR A 41 113.054 -4.283 -4.482 1.00 0.00 O ATOM 714 CB THR A 41 112.389 -7.202 -4.317 1.00 0.00 C ATOM 715 OG1 THR A 41 111.207 -7.187 -3.531 1.00 0.00 O ATOM 716 CG2 THR A 41 112.818 -8.648 -4.573 1.00 0.00 C ATOM 0 H THR A 41 112.846 -7.063 -1.673 1.00 0.00 H new ATOM 0 HA THR A 41 114.437 -6.558 -4.129 1.00 0.00 H new ATOM 0 HB THR A 41 112.197 -6.710 -5.270 1.00 0.00 H new ATOM 0 HG1 THR A 41 110.435 -7.393 -4.098 1.00 0.00 H new ATOM 0 HG21 THR A 41 112.024 -9.175 -5.101 1.00 0.00 H new ATOM 0 HG22 THR A 41 113.724 -8.657 -5.178 1.00 0.00 H new ATOM 0 HG23 THR A 41 113.012 -9.144 -3.622 1.00 0.00 H new ATOM 724 N CYS A 42 112.965 -4.505 -2.247 1.00 0.00 N ATOM 725 CA CYS A 42 112.608 -3.107 -2.023 1.00 0.00 C ATOM 726 C CYS A 42 111.471 -2.689 -2.946 1.00 0.00 C ATOM 727 O CYS A 42 111.633 -1.828 -3.799 1.00 0.00 O ATOM 728 CB CYS A 42 113.819 -2.218 -2.268 1.00 0.00 C ATOM 729 SG CYS A 42 115.297 -3.024 -1.605 1.00 0.00 S ATOM 0 H CYS A 42 113.048 -5.064 -1.398 1.00 0.00 H new ATOM 0 HA CYS A 42 112.279 -2.996 -0.990 1.00 0.00 H new ATOM 0 HB2 CYS A 42 113.939 -2.034 -3.336 1.00 0.00 H new ATOM 0 HB3 CYS A 42 113.675 -1.248 -1.792 1.00 0.00 H new ATOM 0 HG CYS A 42 115.067 -4.294 -1.452 1.00 0.00 H new ATOM 735 N PRO A 43 110.327 -3.290 -2.783 1.00 0.00 N ATOM 736 CA PRO A 43 109.121 -2.986 -3.613 1.00 0.00 C ATOM 737 C PRO A 43 108.531 -1.616 -3.296 1.00 0.00 C ATOM 738 O PRO A 43 107.797 -1.041 -4.103 1.00 0.00 O ATOM 739 CB PRO A 43 108.131 -4.100 -3.260 1.00 0.00 C ATOM 740 CG PRO A 43 108.903 -5.087 -2.449 1.00 0.00 C ATOM 741 CD PRO A 43 110.034 -4.329 -1.792 1.00 0.00 C ATOM 0 HA PRO A 43 109.363 -2.951 -4.675 1.00 0.00 H new ATOM 0 HB2 PRO A 43 107.285 -3.707 -2.696 1.00 0.00 H new ATOM 0 HB3 PRO A 43 107.727 -4.564 -4.160 1.00 0.00 H new ATOM 0 HG2 PRO A 43 108.264 -5.554 -1.699 1.00 0.00 H new ATOM 0 HG3 PRO A 43 109.290 -5.887 -3.080 1.00 0.00 H new ATOM 0 HD2 PRO A 43 109.737 -3.905 -0.833 1.00 0.00 H new ATOM 0 HD3 PRO A 43 110.897 -4.968 -1.604 1.00 0.00 H new ATOM 749 N TRP A 44 108.850 -1.101 -2.116 1.00 0.00 N ATOM 750 CA TRP A 44 108.344 0.200 -1.692 1.00 0.00 C ATOM 751 C TRP A 44 108.885 1.315 -2.588 1.00 0.00 C ATOM 752 O TRP A 44 109.015 2.462 -2.163 1.00 0.00 O ATOM 753 CB TRP A 44 108.735 0.466 -0.236 1.00 0.00 C ATOM 754 CG TRP A 44 107.500 0.550 0.601 1.00 0.00 C ATOM 755 CD1 TRP A 44 106.794 1.680 0.830 1.00 0.00 C ATOM 756 CD2 TRP A 44 106.819 -0.514 1.327 1.00 0.00 C ATOM 757 NE1 TRP A 44 105.722 1.379 1.651 1.00 0.00 N ATOM 758 CE2 TRP A 44 105.694 0.039 1.984 1.00 0.00 C ATOM 759 CE3 TRP A 44 107.065 -1.891 1.477 1.00 0.00 C ATOM 760 CZ2 TRP A 44 104.844 -0.746 2.764 1.00 0.00 C ATOM 761 CZ3 TRP A 44 106.210 -2.684 2.261 1.00 0.00 C ATOM 762 CH2 TRP A 44 105.103 -2.113 2.903 1.00 0.00 C ATOM 0 H TRP A 44 109.455 -1.562 -1.436 1.00 0.00 H new ATOM 0 HA TRP A 44 107.257 0.187 -1.777 1.00 0.00 H new ATOM 0 HB2 TRP A 44 109.382 -0.331 0.130 1.00 0.00 H new ATOM 0 HB3 TRP A 44 109.301 1.395 -0.164 1.00 0.00 H new ATOM 0 HD1 TRP A 44 107.029 2.658 0.436 1.00 0.00 H new ATOM 0 HE1 TRP A 44 105.036 2.063 1.971 1.00 0.00 H new ATOM 0 HE3 TRP A 44 107.916 -2.341 0.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 103.992 -0.301 3.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 106.407 -3.740 2.369 1.00 0.00 H new ATOM 0 HH2 TRP A 44 104.450 -2.728 3.505 1.00 0.00 H new ATOM 773 N PHE A 45 109.203 0.970 -3.829 1.00 0.00 N ATOM 774 CA PHE A 45 109.726 1.944 -4.769 1.00 0.00 C ATOM 775 C PHE A 45 111.008 2.576 -4.218 1.00 0.00 C ATOM 776 O PHE A 45 110.956 3.540 -3.459 1.00 0.00 O ATOM 777 CB PHE A 45 108.690 3.026 -5.042 1.00 0.00 C ATOM 778 CG PHE A 45 108.498 3.167 -6.536 1.00 0.00 C ATOM 779 CD1 PHE A 45 109.604 3.360 -7.371 1.00 0.00 C ATOM 780 CD2 PHE A 45 107.210 3.104 -7.082 1.00 0.00 C ATOM 781 CE1 PHE A 45 109.422 3.493 -8.753 1.00 0.00 C ATOM 782 CE2 PHE A 45 107.029 3.236 -8.463 1.00 0.00 C ATOM 783 CZ PHE A 45 108.134 3.430 -9.299 1.00 0.00 C ATOM 0 H PHE A 45 109.107 0.026 -4.204 1.00 0.00 H new ATOM 0 HA PHE A 45 109.956 1.434 -5.704 1.00 0.00 H new ATOM 0 HB2 PHE A 45 107.744 2.769 -4.565 1.00 0.00 H new ATOM 0 HB3 PHE A 45 109.016 3.974 -4.614 1.00 0.00 H new ATOM 0 HD1 PHE A 45 110.597 3.406 -6.950 1.00 0.00 H new ATOM 0 HD2 PHE A 45 106.357 2.954 -6.437 1.00 0.00 H new ATOM 0 HE1 PHE A 45 110.275 3.644 -9.398 1.00 0.00 H new ATOM 0 HE2 PHE A 45 106.036 3.188 -8.884 1.00 0.00 H new ATOM 0 HZ PHE A 45 107.994 3.531 -10.365 1.00 0.00 H new ATOM 793 N PRO A 46 112.145 2.042 -4.569 1.00 0.00 N ATOM 794 CA PRO A 46 113.456 2.538 -4.072 1.00 0.00 C ATOM 795 C PRO A 46 113.879 3.834 -4.754 1.00 0.00 C ATOM 796 O PRO A 46 114.845 4.479 -4.340 1.00 0.00 O ATOM 797 CB PRO A 46 114.421 1.400 -4.402 1.00 0.00 C ATOM 798 CG PRO A 46 113.805 0.665 -5.543 1.00 0.00 C ATOM 799 CD PRO A 46 112.305 0.907 -5.489 1.00 0.00 C ATOM 0 HA PRO A 46 113.427 2.781 -3.010 1.00 0.00 H new ATOM 0 HB2 PRO A 46 115.404 1.786 -4.671 1.00 0.00 H new ATOM 0 HB3 PRO A 46 114.560 0.743 -3.543 1.00 0.00 H new ATOM 0 HG2 PRO A 46 114.216 1.015 -6.490 1.00 0.00 H new ATOM 0 HG3 PRO A 46 114.024 -0.401 -5.475 1.00 0.00 H new ATOM 0 HD2 PRO A 46 111.905 1.138 -6.476 1.00 0.00 H new ATOM 0 HD3 PRO A 46 111.774 0.026 -5.128 1.00 0.00 H new ATOM 807 N GLN A 47 113.158 4.204 -5.812 1.00 0.00 N ATOM 808 CA GLN A 47 113.489 5.419 -6.548 1.00 0.00 C ATOM 809 C GLN A 47 112.863 6.641 -5.889 1.00 0.00 C ATOM 810 O GLN A 47 113.559 7.585 -5.518 1.00 0.00 O ATOM 811 CB GLN A 47 112.975 5.300 -7.986 1.00 0.00 C ATOM 812 CG GLN A 47 113.691 4.145 -8.693 1.00 0.00 C ATOM 813 CD GLN A 47 113.108 3.943 -10.087 1.00 0.00 C ATOM 814 OE1 GLN A 47 112.235 4.700 -10.511 1.00 0.00 O ATOM 815 NE2 GLN A 47 113.538 2.958 -10.828 1.00 0.00 N ATOM 0 H GLN A 47 112.355 3.689 -6.172 1.00 0.00 H new ATOM 0 HA GLN A 47 114.572 5.540 -6.546 1.00 0.00 H new ATOM 0 HB2 GLN A 47 111.899 5.128 -7.985 1.00 0.00 H new ATOM 0 HB3 GLN A 47 113.148 6.232 -8.523 1.00 0.00 H new ATOM 0 HG2 GLN A 47 114.758 4.357 -8.764 1.00 0.00 H new ATOM 0 HG3 GLN A 47 113.586 3.230 -8.110 1.00 0.00 H new ATOM 0 HE21 GLN A 47 114.262 2.332 -10.474 1.00 0.00 H new ATOM 0 HE22 GLN A 47 113.150 2.814 -11.761 1.00 0.00 H new ATOM 824 N GLU A 48 111.543 6.611 -5.737 1.00 0.00 N ATOM 825 CA GLU A 48 110.828 7.719 -5.112 1.00 0.00 C ATOM 826 C GLU A 48 110.713 7.509 -3.607 1.00 0.00 C ATOM 827 O GLU A 48 110.664 8.470 -2.841 1.00 0.00 O ATOM 828 CB GLU A 48 109.436 7.852 -5.728 1.00 0.00 C ATOM 829 CG GLU A 48 108.703 6.517 -5.627 1.00 0.00 C ATOM 830 CD GLU A 48 107.353 6.608 -6.328 1.00 0.00 C ATOM 831 OE1 GLU A 48 106.708 5.581 -6.459 1.00 0.00 O ATOM 832 OE2 GLU A 48 106.985 7.701 -6.726 1.00 0.00 O ATOM 0 H GLU A 48 110.949 5.837 -6.036 1.00 0.00 H new ATOM 0 HA GLU A 48 111.390 8.636 -5.289 1.00 0.00 H new ATOM 0 HB2 GLU A 48 108.871 8.629 -5.212 1.00 0.00 H new ATOM 0 HB3 GLU A 48 109.516 8.156 -6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 48 109.304 5.728 -6.079 1.00 0.00 H new ATOM 0 HG3 GLU A 48 108.561 6.249 -4.580 1.00 0.00 H new ATOM 839 N GLY A 49 110.650 6.247 -3.194 1.00 0.00 N ATOM 840 CA GLY A 49 110.520 5.921 -1.776 1.00 0.00 C ATOM 841 C GLY A 49 109.100 6.186 -1.290 1.00 0.00 C ATOM 842 O GLY A 49 108.879 7.033 -0.430 1.00 0.00 O ATOM 0 H GLY A 49 110.686 5.438 -3.815 1.00 0.00 H new ATOM 0 HA2 GLY A 49 110.776 4.874 -1.614 1.00 0.00 H new ATOM 0 HA3 GLY A 49 111.225 6.515 -1.195 1.00 0.00 H new ATOM 846 N THR A 50 108.139 5.463 -1.856 1.00 0.00 N ATOM 847 CA THR A 50 106.739 5.641 -1.486 1.00 0.00 C ATOM 848 C THR A 50 106.026 4.296 -1.407 1.00 0.00 C ATOM 849 O THR A 50 106.569 3.269 -1.813 1.00 0.00 O ATOM 850 CB THR A 50 106.037 6.528 -2.518 1.00 0.00 C ATOM 851 OG1 THR A 50 104.826 7.028 -1.966 1.00 0.00 O ATOM 852 CG2 THR A 50 105.734 5.709 -3.776 1.00 0.00 C ATOM 0 H THR A 50 108.302 4.752 -2.569 1.00 0.00 H new ATOM 0 HA THR A 50 106.702 6.117 -0.506 1.00 0.00 H new ATOM 0 HB THR A 50 106.685 7.364 -2.782 1.00 0.00 H new ATOM 0 HG1 THR A 50 104.377 7.597 -2.625 1.00 0.00 H new ATOM 0 HG21 THR A 50 105.234 6.341 -4.510 1.00 0.00 H new ATOM 0 HG22 THR A 50 106.666 5.331 -4.197 1.00 0.00 H new ATOM 0 HG23 THR A 50 105.086 4.871 -3.518 1.00 0.00 H new ATOM 860 N ILE A 51 104.803 4.311 -0.886 1.00 0.00 N ATOM 861 CA ILE A 51 104.021 3.090 -0.771 1.00 0.00 C ATOM 862 C ILE A 51 103.316 2.786 -2.090 1.00 0.00 C ATOM 863 O ILE A 51 102.853 3.695 -2.780 1.00 0.00 O ATOM 864 CB ILE A 51 102.978 3.234 0.338 1.00 0.00 C ATOM 865 CG1 ILE A 51 103.560 4.072 1.476 1.00 0.00 C ATOM 866 CG2 ILE A 51 102.606 1.850 0.868 1.00 0.00 C ATOM 867 CD1 ILE A 51 102.766 3.833 2.757 1.00 0.00 C ATOM 0 H ILE A 51 104.337 5.150 -0.540 1.00 0.00 H new ATOM 0 HA ILE A 51 104.697 2.271 -0.528 1.00 0.00 H new ATOM 0 HB ILE A 51 102.089 3.724 -0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 51 104.607 3.811 1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 51 103.531 5.129 1.212 1.00 0.00 H new ATOM 0 HG21 ILE A 51 101.863 1.951 1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 51 102.194 1.249 0.057 1.00 0.00 H new ATOM 0 HG23 ILE A 51 103.495 1.362 1.266 1.00 0.00 H new ATOM 0 HD11 ILE A 51 103.187 4.434 3.563 1.00 0.00 H new ATOM 0 HD12 ILE A 51 101.726 4.116 2.598 1.00 0.00 H new ATOM 0 HD13 ILE A 51 102.818 2.778 3.026 1.00 0.00 H new ATOM 879 N ASP A 52 103.233 1.507 -2.434 1.00 0.00 N ATOM 880 CA ASP A 52 102.569 1.097 -3.670 1.00 0.00 C ATOM 881 C ASP A 52 101.757 -0.175 -3.440 1.00 0.00 C ATOM 882 O ASP A 52 102.292 -1.205 -3.038 1.00 0.00 O ATOM 883 CB ASP A 52 103.615 0.850 -4.757 1.00 0.00 C ATOM 884 CG ASP A 52 102.934 0.422 -6.058 1.00 0.00 C ATOM 885 OD1 ASP A 52 103.592 0.434 -7.086 1.00 0.00 O ATOM 886 OD2 ASP A 52 101.762 0.087 -6.003 1.00 0.00 O ATOM 0 H ASP A 52 103.613 0.739 -1.881 1.00 0.00 H new ATOM 0 HA ASP A 52 101.894 1.892 -3.987 1.00 0.00 H new ATOM 0 HB2 ASP A 52 104.198 1.756 -4.924 1.00 0.00 H new ATOM 0 HB3 ASP A 52 104.312 0.078 -4.432 1.00 0.00 H new ATOM 891 N ILE A 53 100.460 -0.092 -3.705 1.00 0.00 N ATOM 892 CA ILE A 53 99.574 -1.237 -3.527 1.00 0.00 C ATOM 893 C ILE A 53 99.831 -2.298 -4.588 1.00 0.00 C ATOM 894 O ILE A 53 99.836 -3.493 -4.295 1.00 0.00 O ATOM 895 CB ILE A 53 98.111 -0.785 -3.599 1.00 0.00 C ATOM 896 CG1 ILE A 53 97.891 0.385 -2.629 1.00 0.00 C ATOM 897 CG2 ILE A 53 97.197 -1.952 -3.206 1.00 0.00 C ATOM 898 CD1 ILE A 53 98.329 -0.022 -1.215 1.00 0.00 C ATOM 0 H ILE A 53 99.998 0.752 -4.043 1.00 0.00 H new ATOM 0 HA ILE A 53 99.776 -1.670 -2.547 1.00 0.00 H new ATOM 0 HB ILE A 53 97.877 -0.466 -4.615 1.00 0.00 H new ATOM 0 HG12 ILE A 53 98.459 1.255 -2.959 1.00 0.00 H new ATOM 0 HG13 ILE A 53 96.840 0.673 -2.625 1.00 0.00 H new ATOM 0 HG21 ILE A 53 96.156 -1.632 -3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 53 97.355 -2.784 -3.892 1.00 0.00 H new ATOM 0 HG23 ILE A 53 97.430 -2.270 -2.190 1.00 0.00 H new ATOM 0 HD11 ILE A 53 98.171 0.812 -0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 53 97.742 -0.879 -0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 53 99.386 -0.288 -1.224 1.00 0.00 H new ATOM 910 N LYS A 54 100.029 -1.853 -5.823 1.00 0.00 N ATOM 911 CA LYS A 54 100.260 -2.780 -6.925 1.00 0.00 C ATOM 912 C LYS A 54 101.516 -3.617 -6.690 1.00 0.00 C ATOM 913 O LYS A 54 101.464 -4.851 -6.673 1.00 0.00 O ATOM 914 CB LYS A 54 100.415 -1.994 -8.234 1.00 0.00 C ATOM 915 CG LYS A 54 99.099 -1.286 -8.565 1.00 0.00 C ATOM 916 CD LYS A 54 99.276 -0.443 -9.830 1.00 0.00 C ATOM 917 CE LYS A 54 97.955 0.249 -10.172 1.00 0.00 C ATOM 918 NZ LYS A 54 98.117 1.036 -11.428 1.00 0.00 N ATOM 0 H LYS A 54 100.035 -0.867 -6.085 1.00 0.00 H new ATOM 0 HA LYS A 54 99.404 -3.451 -6.988 1.00 0.00 H new ATOM 0 HB2 LYS A 54 101.219 -1.264 -8.139 1.00 0.00 H new ATOM 0 HB3 LYS A 54 100.691 -2.668 -9.045 1.00 0.00 H new ATOM 0 HG2 LYS A 54 98.306 -2.020 -8.712 1.00 0.00 H new ATOM 0 HG3 LYS A 54 98.796 -0.652 -7.732 1.00 0.00 H new ATOM 0 HD2 LYS A 54 100.059 0.300 -9.678 1.00 0.00 H new ATOM 0 HD3 LYS A 54 99.593 -1.075 -10.660 1.00 0.00 H new ATOM 0 HE2 LYS A 54 97.165 -0.492 -10.294 1.00 0.00 H new ATOM 0 HE3 LYS A 54 97.654 0.905 -9.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 97.219 1.507 -11.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 98.859 1.752 -11.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 98.386 0.399 -12.205 1.00 0.00 H new ATOM 932 N ARG A 55 102.641 -2.939 -6.500 1.00 0.00 N ATOM 933 CA ARG A 55 103.905 -3.629 -6.270 1.00 0.00 C ATOM 934 C ARG A 55 103.845 -4.450 -4.987 1.00 0.00 C ATOM 935 O ARG A 55 104.453 -5.517 -4.894 1.00 0.00 O ATOM 936 CB ARG A 55 105.049 -2.618 -6.187 1.00 0.00 C ATOM 937 CG ARG A 55 105.317 -2.029 -7.573 1.00 0.00 C ATOM 938 CD ARG A 55 106.410 -0.963 -7.472 1.00 0.00 C ATOM 939 NE ARG A 55 106.699 -0.409 -8.789 1.00 0.00 N ATOM 940 CZ ARG A 55 107.818 0.269 -9.019 1.00 0.00 C ATOM 941 NH1 ARG A 55 108.054 0.754 -10.207 1.00 0.00 N ATOM 942 NH2 ARG A 55 108.681 0.448 -8.058 1.00 0.00 N ATOM 0 H ARG A 55 102.705 -1.921 -6.500 1.00 0.00 H new ATOM 0 HA ARG A 55 104.084 -4.304 -7.107 1.00 0.00 H new ATOM 0 HB2 ARG A 55 104.795 -1.823 -5.486 1.00 0.00 H new ATOM 0 HB3 ARG A 55 105.948 -3.102 -5.807 1.00 0.00 H new ATOM 0 HG2 ARG A 55 105.625 -2.816 -8.261 1.00 0.00 H new ATOM 0 HG3 ARG A 55 104.404 -1.592 -7.977 1.00 0.00 H new ATOM 0 HD2 ARG A 55 106.091 -0.168 -6.798 1.00 0.00 H new ATOM 0 HD3 ARG A 55 107.314 -1.399 -7.047 1.00 0.00 H new ATOM 0 HE ARG A 55 106.030 -0.544 -9.547 1.00 0.00 H new ATOM 0 HH11 ARG A 55 107.379 0.613 -10.959 1.00 0.00 H new ATOM 0 HH12 ARG A 55 108.913 1.275 -10.384 1.00 0.00 H new ATOM 0 HH21 ARG A 55 108.497 0.067 -7.130 1.00 0.00 H new ATOM 0 HH22 ARG A 55 109.540 0.969 -8.235 1.00 0.00 H new ATOM 956 N TRP A 56 103.114 -3.942 -3.999 1.00 0.00 N ATOM 957 CA TRP A 56 102.988 -4.631 -2.725 1.00 0.00 C ATOM 958 C TRP A 56 102.427 -6.035 -2.926 1.00 0.00 C ATOM 959 O TRP A 56 102.853 -6.989 -2.275 1.00 0.00 O ATOM 960 CB TRP A 56 102.079 -3.841 -1.786 1.00 0.00 C ATOM 961 CG TRP A 56 101.783 -4.658 -0.570 1.00 0.00 C ATOM 962 CD1 TRP A 56 100.543 -5.012 -0.157 1.00 0.00 C ATOM 963 CD2 TRP A 56 102.714 -5.228 0.394 1.00 0.00 C ATOM 964 NE1 TRP A 56 100.656 -5.763 0.999 1.00 0.00 N ATOM 965 CE2 TRP A 56 101.973 -5.924 1.378 1.00 0.00 C ATOM 966 CE3 TRP A 56 104.115 -5.210 0.508 1.00 0.00 C ATOM 967 CZ2 TRP A 56 102.602 -6.578 2.440 1.00 0.00 C ATOM 968 CZ3 TRP A 56 104.751 -5.867 1.575 1.00 0.00 C ATOM 969 CH2 TRP A 56 103.995 -6.550 2.538 1.00 0.00 C ATOM 0 H TRP A 56 102.604 -3.061 -4.058 1.00 0.00 H new ATOM 0 HA TRP A 56 103.980 -4.711 -2.280 1.00 0.00 H new ATOM 0 HB2 TRP A 56 102.560 -2.906 -1.500 1.00 0.00 H new ATOM 0 HB3 TRP A 56 101.152 -3.580 -2.296 1.00 0.00 H new ATOM 0 HD1 TRP A 56 99.618 -4.751 -0.649 1.00 0.00 H new ATOM 0 HE1 TRP A 56 99.862 -6.151 1.509 1.00 0.00 H new ATOM 0 HE3 TRP A 56 104.707 -4.688 -0.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 102.015 -7.102 3.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 105.828 -5.846 1.654 1.00 0.00 H new ATOM 0 HH2 TRP A 56 104.489 -7.054 3.355 1.00 0.00 H new ATOM 980 N ARG A 57 101.469 -6.151 -3.831 1.00 0.00 N ATOM 981 CA ARG A 57 100.857 -7.444 -4.124 1.00 0.00 C ATOM 982 C ARG A 57 101.874 -8.379 -4.770 1.00 0.00 C ATOM 983 O ARG A 57 101.879 -9.583 -4.513 1.00 0.00 O ATOM 984 CB ARG A 57 99.659 -7.262 -5.061 1.00 0.00 C ATOM 985 CG ARG A 57 98.539 -6.534 -4.315 1.00 0.00 C ATOM 986 CD ARG A 57 97.408 -6.206 -5.289 1.00 0.00 C ATOM 987 NE ARG A 57 96.807 -7.433 -5.799 1.00 0.00 N ATOM 988 CZ ARG A 57 95.866 -7.399 -6.738 1.00 0.00 C ATOM 989 NH1 ARG A 57 95.343 -8.511 -7.177 1.00 0.00 N ATOM 990 NH2 ARG A 57 95.466 -6.254 -7.220 1.00 0.00 N ATOM 0 H ARG A 57 101.097 -5.372 -4.375 1.00 0.00 H new ATOM 0 HA ARG A 57 100.516 -7.883 -3.187 1.00 0.00 H new ATOM 0 HB2 ARG A 57 99.955 -6.692 -5.942 1.00 0.00 H new ATOM 0 HB3 ARG A 57 99.307 -8.232 -5.412 1.00 0.00 H new ATOM 0 HG2 ARG A 57 98.164 -7.156 -3.502 1.00 0.00 H new ATOM 0 HG3 ARG A 57 98.923 -5.618 -3.865 1.00 0.00 H new ATOM 0 HD2 ARG A 57 96.651 -5.603 -4.788 1.00 0.00 H new ATOM 0 HD3 ARG A 57 97.793 -5.610 -6.117 1.00 0.00 H new ATOM 0 HE ARG A 57 97.114 -8.333 -5.429 1.00 0.00 H new ATOM 0 HH11 ARG A 57 95.656 -9.406 -6.800 1.00 0.00 H new ATOM 0 HH12 ARG A 57 94.621 -8.486 -7.897 1.00 0.00 H new ATOM 0 HH21 ARG A 57 95.875 -5.385 -6.876 1.00 0.00 H new ATOM 0 HH22 ARG A 57 94.744 -6.228 -7.940 1.00 0.00 H new ATOM 1004 N ARG A 58 102.728 -7.815 -5.624 1.00 0.00 N ATOM 1005 CA ARG A 58 103.736 -8.617 -6.311 1.00 0.00 C ATOM 1006 C ARG A 58 104.670 -9.288 -5.310 1.00 0.00 C ATOM 1007 O ARG A 58 104.854 -10.503 -5.336 1.00 0.00 O ATOM 1008 CB ARG A 58 104.555 -7.726 -7.249 1.00 0.00 C ATOM 1009 CG ARG A 58 105.532 -8.588 -8.052 1.00 0.00 C ATOM 1010 CD ARG A 58 106.312 -7.702 -9.025 1.00 0.00 C ATOM 1011 NE ARG A 58 107.145 -8.525 -9.896 1.00 0.00 N ATOM 1012 CZ ARG A 58 106.649 -9.083 -10.995 1.00 0.00 C ATOM 1013 NH1 ARG A 58 107.414 -9.813 -11.758 1.00 0.00 N ATOM 1014 NH2 ARG A 58 105.396 -8.900 -11.310 1.00 0.00 N ATOM 0 H ARG A 58 102.742 -6.821 -5.853 1.00 0.00 H new ATOM 0 HA ARG A 58 103.225 -9.389 -6.886 1.00 0.00 H new ATOM 0 HB2 ARG A 58 103.892 -7.185 -7.924 1.00 0.00 H new ATOM 0 HB3 ARG A 58 105.102 -6.979 -6.673 1.00 0.00 H new ATOM 0 HG2 ARG A 58 106.219 -9.101 -7.379 1.00 0.00 H new ATOM 0 HG3 ARG A 58 104.989 -9.358 -8.600 1.00 0.00 H new ATOM 0 HD2 ARG A 58 105.620 -7.110 -9.624 1.00 0.00 H new ATOM 0 HD3 ARG A 58 106.935 -7.000 -8.470 1.00 0.00 H new ATOM 0 HE ARG A 58 108.125 -8.674 -9.657 1.00 0.00 H new ATOM 0 HH11 ARG A 58 108.393 -9.956 -11.511 1.00 0.00 H new ATOM 0 HH12 ARG A 58 107.033 -10.241 -12.602 1.00 0.00 H new ATOM 0 HH21 ARG A 58 104.798 -8.329 -10.713 1.00 0.00 H new ATOM 0 HH22 ARG A 58 105.014 -9.328 -12.154 1.00 0.00 H new ATOM 1028 N VAL A 59 105.247 -8.490 -4.420 1.00 0.00 N ATOM 1029 CA VAL A 59 106.157 -9.022 -3.408 1.00 0.00 C ATOM 1030 C VAL A 59 105.423 -9.982 -2.479 1.00 0.00 C ATOM 1031 O VAL A 59 105.977 -10.994 -2.054 1.00 0.00 O ATOM 1032 CB VAL A 59 106.757 -7.873 -2.590 1.00 0.00 C ATOM 1033 CG1 VAL A 59 105.632 -6.979 -2.067 1.00 0.00 C ATOM 1034 CG2 VAL A 59 107.540 -8.446 -1.406 1.00 0.00 C ATOM 0 H VAL A 59 105.104 -7.481 -4.376 1.00 0.00 H new ATOM 0 HA VAL A 59 106.956 -9.564 -3.913 1.00 0.00 H new ATOM 0 HB VAL A 59 107.425 -7.288 -3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 59 106.058 -6.162 -1.485 1.00 0.00 H new ATOM 0 HG12 VAL A 59 105.070 -6.572 -2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 59 104.965 -7.566 -1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 59 107.967 -7.630 -0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 59 106.870 -9.030 -0.775 1.00 0.00 H new ATOM 0 HG23 VAL A 59 108.341 -9.086 -1.775 1.00 0.00 H new ATOM 1044 N GLY A 60 104.176 -9.657 -2.164 1.00 0.00 N ATOM 1045 CA GLY A 60 103.380 -10.500 -1.282 1.00 0.00 C ATOM 1046 C GLY A 60 103.147 -11.873 -1.899 1.00 0.00 C ATOM 1047 O GLY A 60 103.320 -12.895 -1.239 1.00 0.00 O ATOM 0 H GLY A 60 103.697 -8.823 -2.503 1.00 0.00 H new ATOM 0 HA2 GLY A 60 103.887 -10.610 -0.324 1.00 0.00 H new ATOM 0 HA3 GLY A 60 102.422 -10.020 -1.082 1.00 0.00 H new ATOM 1051 N ASP A 61 102.745 -11.888 -3.164 1.00 0.00 N ATOM 1052 CA ASP A 61 102.482 -13.143 -3.857 1.00 0.00 C ATOM 1053 C ASP A 61 103.784 -13.877 -4.160 1.00 0.00 C ATOM 1054 O ASP A 61 103.841 -15.106 -4.112 1.00 0.00 O ATOM 1055 CB ASP A 61 101.729 -12.868 -5.163 1.00 0.00 C ATOM 1056 CG ASP A 61 100.229 -12.727 -4.892 1.00 0.00 C ATOM 1057 OD1 ASP A 61 99.831 -12.954 -3.761 1.00 0.00 O ATOM 1058 OD2 ASP A 61 99.506 -12.391 -5.815 1.00 0.00 O ATOM 0 H ASP A 61 102.595 -11.051 -3.728 1.00 0.00 H new ATOM 0 HA ASP A 61 101.871 -13.772 -3.210 1.00 0.00 H new ATOM 0 HB2 ASP A 61 102.109 -11.957 -5.625 1.00 0.00 H new ATOM 0 HB3 ASP A 61 101.903 -13.680 -5.869 1.00 0.00 H new ATOM 1063 N CYS A 62 104.823 -13.116 -4.480 1.00 0.00 N ATOM 1064 CA CYS A 62 106.118 -13.704 -4.802 1.00 0.00 C ATOM 1065 C CYS A 62 106.704 -14.422 -3.589 1.00 0.00 C ATOM 1066 O CYS A 62 107.315 -15.488 -3.718 1.00 0.00 O ATOM 1067 CB CYS A 62 107.086 -12.613 -5.267 1.00 0.00 C ATOM 1068 SG CYS A 62 106.537 -11.954 -6.860 1.00 0.00 S ATOM 0 H CYS A 62 104.796 -12.097 -4.524 1.00 0.00 H new ATOM 0 HA CYS A 62 105.974 -14.430 -5.602 1.00 0.00 H new ATOM 0 HB2 CYS A 62 107.131 -11.814 -4.527 1.00 0.00 H new ATOM 0 HB3 CYS A 62 108.093 -13.021 -5.358 1.00 0.00 H new ATOM 0 HG CYS A 62 105.591 -11.083 -6.667 1.00 0.00 H new ATOM 1074 N PHE A 63 106.503 -13.840 -2.412 1.00 0.00 N ATOM 1075 CA PHE A 63 107.010 -14.432 -1.180 1.00 0.00 C ATOM 1076 C PHE A 63 106.037 -15.470 -0.635 1.00 0.00 C ATOM 1077 O PHE A 63 106.447 -16.516 -0.137 1.00 0.00 O ATOM 1078 CB PHE A 63 107.246 -13.341 -0.137 1.00 0.00 C ATOM 1079 CG PHE A 63 108.634 -12.769 -0.311 1.00 0.00 C ATOM 1080 CD1 PHE A 63 109.622 -13.029 0.647 1.00 0.00 C ATOM 1081 CD2 PHE A 63 108.932 -11.977 -1.427 1.00 0.00 C ATOM 1082 CE1 PHE A 63 110.908 -12.497 0.488 1.00 0.00 C ATOM 1083 CE2 PHE A 63 110.217 -11.446 -1.586 1.00 0.00 C ATOM 1084 CZ PHE A 63 111.205 -11.706 -0.628 1.00 0.00 C ATOM 0 H PHE A 63 105.996 -12.964 -2.285 1.00 0.00 H new ATOM 0 HA PHE A 63 107.954 -14.930 -1.402 1.00 0.00 H new ATOM 0 HB2 PHE A 63 106.500 -12.553 -0.244 1.00 0.00 H new ATOM 0 HB3 PHE A 63 107.134 -13.752 0.866 1.00 0.00 H new ATOM 0 HD1 PHE A 63 109.392 -13.639 1.508 1.00 0.00 H new ATOM 0 HD2 PHE A 63 108.170 -11.776 -2.165 1.00 0.00 H new ATOM 0 HE1 PHE A 63 111.670 -12.697 1.226 1.00 0.00 H new ATOM 0 HE2 PHE A 63 110.447 -10.836 -2.447 1.00 0.00 H new ATOM 0 HZ PHE A 63 112.197 -11.296 -0.750 1.00 0.00 H new ATOM 1094 N GLN A 64 104.747 -15.169 -0.730 1.00 0.00 N ATOM 1095 CA GLN A 64 103.721 -16.083 -0.244 1.00 0.00 C ATOM 1096 C GLN A 64 103.748 -17.380 -1.040 1.00 0.00 C ATOM 1097 O GLN A 64 103.583 -18.463 -0.484 1.00 0.00 O ATOM 1098 CB GLN A 64 102.341 -15.433 -0.360 1.00 0.00 C ATOM 1099 CG GLN A 64 101.283 -16.364 0.238 1.00 0.00 C ATOM 1100 CD GLN A 64 99.912 -15.701 0.178 1.00 0.00 C ATOM 1101 OE1 GLN A 64 99.411 -15.406 -0.906 1.00 0.00 O ATOM 1102 NE2 GLN A 64 99.271 -15.449 1.286 1.00 0.00 N ATOM 0 H GLN A 64 104.389 -14.305 -1.136 1.00 0.00 H new ATOM 0 HA GLN A 64 103.924 -16.307 0.803 1.00 0.00 H new ATOM 0 HB2 GLN A 64 102.334 -14.476 0.161 1.00 0.00 H new ATOM 0 HB3 GLN A 64 102.111 -15.229 -1.406 1.00 0.00 H new ATOM 0 HG2 GLN A 64 101.265 -17.306 -0.309 1.00 0.00 H new ATOM 0 HG3 GLN A 64 101.537 -16.600 1.271 1.00 0.00 H new ATOM 0 HE21 GLN A 64 99.688 -15.694 2.184 1.00 0.00 H new ATOM 0 HE22 GLN A 64 98.353 -15.007 1.254 1.00 0.00 H new ATOM 1111 N ASP A 65 103.955 -17.264 -2.347 1.00 0.00 N ATOM 1112 CA ASP A 65 104.007 -18.438 -3.210 1.00 0.00 C ATOM 1113 C ASP A 65 105.230 -19.289 -2.883 1.00 0.00 C ATOM 1114 O ASP A 65 105.117 -20.495 -2.656 1.00 0.00 O ATOM 1115 CB ASP A 65 104.065 -18.004 -4.674 1.00 0.00 C ATOM 1116 CG ASP A 65 104.303 -19.216 -5.569 1.00 0.00 C ATOM 1117 OD1 ASP A 65 103.704 -20.247 -5.306 1.00 0.00 O ATOM 1118 OD2 ASP A 65 105.079 -19.098 -6.503 1.00 0.00 O ATOM 0 H ASP A 65 104.089 -16.375 -2.830 1.00 0.00 H new ATOM 0 HA ASP A 65 103.109 -19.032 -3.040 1.00 0.00 H new ATOM 0 HB2 ASP A 65 103.133 -17.513 -4.953 1.00 0.00 H new ATOM 0 HB3 ASP A 65 104.864 -17.276 -4.814 1.00 0.00 H new ATOM 1123 N TYR A 66 106.399 -18.652 -2.854 1.00 0.00 N ATOM 1124 CA TYR A 66 107.636 -19.363 -2.547 1.00 0.00 C ATOM 1125 C TYR A 66 107.594 -19.922 -1.128 1.00 0.00 C ATOM 1126 O TYR A 66 108.052 -21.032 -0.873 1.00 0.00 O ATOM 1127 CB TYR A 66 108.830 -18.420 -2.697 1.00 0.00 C ATOM 1128 CG TYR A 66 110.096 -19.144 -2.305 1.00 0.00 C ATOM 1129 CD1 TYR A 66 110.793 -18.764 -1.151 1.00 0.00 C ATOM 1130 CD2 TYR A 66 110.574 -20.195 -3.096 1.00 0.00 C ATOM 1131 CE1 TYR A 66 111.967 -19.436 -0.789 1.00 0.00 C ATOM 1132 CE2 TYR A 66 111.748 -20.867 -2.735 1.00 0.00 C ATOM 1133 CZ TYR A 66 112.445 -20.487 -1.581 1.00 0.00 C ATOM 1134 OH TYR A 66 113.601 -21.149 -1.225 1.00 0.00 O ATOM 0 H TYR A 66 106.515 -17.655 -3.037 1.00 0.00 H new ATOM 0 HA TYR A 66 107.742 -20.193 -3.246 1.00 0.00 H new ATOM 0 HB2 TYR A 66 108.903 -18.069 -3.726 1.00 0.00 H new ATOM 0 HB3 TYR A 66 108.693 -17.540 -2.069 1.00 0.00 H new ATOM 0 HD1 TYR A 66 110.425 -17.953 -0.540 1.00 0.00 H new ATOM 0 HD2 TYR A 66 110.037 -20.488 -3.986 1.00 0.00 H new ATOM 0 HE1 TYR A 66 112.504 -19.144 0.101 1.00 0.00 H new ATOM 0 HE2 TYR A 66 112.116 -21.678 -3.346 1.00 0.00 H new ATOM 0 HH TYR A 66 113.791 -21.851 -1.881 1.00 0.00 H new ATOM 1144 N TYR A 67 107.052 -19.138 -0.207 1.00 0.00 N ATOM 1145 CA TYR A 67 106.957 -19.560 1.185 1.00 0.00 C ATOM 1146 C TYR A 67 105.937 -20.682 1.340 1.00 0.00 C ATOM 1147 O TYR A 67 106.128 -21.608 2.126 1.00 0.00 O ATOM 1148 CB TYR A 67 106.558 -18.375 2.069 1.00 0.00 C ATOM 1149 CG TYR A 67 106.439 -18.831 3.505 1.00 0.00 C ATOM 1150 CD1 TYR A 67 107.568 -19.305 4.183 1.00 0.00 C ATOM 1151 CD2 TYR A 67 105.201 -18.780 4.156 1.00 0.00 C ATOM 1152 CE1 TYR A 67 107.459 -19.728 5.513 1.00 0.00 C ATOM 1153 CE2 TYR A 67 105.092 -19.204 5.485 1.00 0.00 C ATOM 1154 CZ TYR A 67 106.221 -19.678 6.164 1.00 0.00 C ATOM 1155 OH TYR A 67 106.114 -20.096 7.475 1.00 0.00 O ATOM 0 H TYR A 67 106.673 -18.210 -0.396 1.00 0.00 H new ATOM 0 HA TYR A 67 107.934 -19.930 1.497 1.00 0.00 H new ATOM 0 HB2 TYR A 67 107.302 -17.582 1.989 1.00 0.00 H new ATOM 0 HB3 TYR A 67 105.610 -17.958 1.730 1.00 0.00 H new ATOM 0 HD1 TYR A 67 108.523 -19.344 3.680 1.00 0.00 H new ATOM 0 HD2 TYR A 67 104.330 -18.414 3.633 1.00 0.00 H new ATOM 0 HE1 TYR A 67 108.330 -20.093 6.037 1.00 0.00 H new ATOM 0 HE2 TYR A 67 104.137 -19.166 5.987 1.00 0.00 H new ATOM 0 HH TYR A 67 105.266 -19.780 7.851 1.00 0.00 H new ATOM 1165 N ASN A 68 104.841 -20.581 0.594 1.00 0.00 N ATOM 1166 CA ASN A 68 103.783 -21.578 0.668 1.00 0.00 C ATOM 1167 C ASN A 68 104.279 -22.938 0.196 1.00 0.00 C ATOM 1168 O ASN A 68 103.932 -23.968 0.771 1.00 0.00 O ATOM 1169 CB ASN A 68 102.591 -21.144 -0.190 1.00 0.00 C ATOM 1170 CG ASN A 68 101.509 -22.219 -0.164 1.00 0.00 C ATOM 1171 OD1 ASN A 68 101.427 -22.996 0.787 1.00 0.00 O ATOM 1172 ND2 ASN A 68 100.669 -22.309 -1.159 1.00 0.00 N ATOM 0 H ASN A 68 104.664 -19.822 -0.065 1.00 0.00 H new ATOM 0 HA ASN A 68 103.473 -21.663 1.709 1.00 0.00 H new ATOM 0 HB2 ASN A 68 102.188 -20.202 0.183 1.00 0.00 H new ATOM 0 HB3 ASN A 68 102.916 -20.968 -1.216 1.00 0.00 H new ATOM 0 HD21 ASN A 68 99.942 -23.025 -1.150 1.00 0.00 H new ATOM 0 HD22 ASN A 68 100.739 -21.664 -1.946 1.00 0.00 H new ATOM 1179 N THR A 69 105.083 -22.932 -0.861 1.00 0.00 N ATOM 1180 CA THR A 69 105.606 -24.177 -1.416 1.00 0.00 C ATOM 1181 C THR A 69 106.181 -25.060 -0.318 1.00 0.00 C ATOM 1182 O THR A 69 106.323 -26.270 -0.493 1.00 0.00 O ATOM 1183 CB THR A 69 106.690 -23.873 -2.454 1.00 0.00 C ATOM 1184 OG1 THR A 69 107.703 -23.079 -1.855 1.00 0.00 O ATOM 1185 CG2 THR A 69 106.077 -23.113 -3.631 1.00 0.00 C ATOM 0 H THR A 69 105.385 -22.088 -1.348 1.00 0.00 H new ATOM 0 HA THR A 69 104.784 -24.709 -1.895 1.00 0.00 H new ATOM 0 HB THR A 69 107.121 -24.808 -2.814 1.00 0.00 H new ATOM 0 HG1 THR A 69 107.296 -22.293 -1.434 1.00 0.00 H new ATOM 0 HG21 THR A 69 106.851 -22.898 -4.368 1.00 0.00 H new ATOM 0 HG22 THR A 69 105.297 -23.721 -4.090 1.00 0.00 H new ATOM 0 HG23 THR A 69 105.645 -22.178 -3.275 1.00 0.00 H new ATOM 1193 N PHE A 70 106.507 -24.449 0.814 1.00 0.00 N ATOM 1194 CA PHE A 70 107.067 -25.191 1.934 1.00 0.00 C ATOM 1195 C PHE A 70 105.965 -25.651 2.884 1.00 0.00 C ATOM 1196 O PHE A 70 106.234 -26.041 4.019 1.00 0.00 O ATOM 1197 CB PHE A 70 108.067 -24.316 2.694 1.00 0.00 C ATOM 1198 CG PHE A 70 109.272 -24.053 1.823 1.00 0.00 C ATOM 1199 CD1 PHE A 70 109.373 -22.853 1.110 1.00 0.00 C ATOM 1200 CD2 PHE A 70 110.288 -25.012 1.727 1.00 0.00 C ATOM 1201 CE1 PHE A 70 110.490 -22.610 0.302 1.00 0.00 C ATOM 1202 CE2 PHE A 70 111.405 -24.769 0.919 1.00 0.00 C ATOM 1203 CZ PHE A 70 111.507 -23.568 0.207 1.00 0.00 C ATOM 0 H PHE A 70 106.394 -23.449 0.980 1.00 0.00 H new ATOM 0 HA PHE A 70 107.578 -26.070 1.540 1.00 0.00 H new ATOM 0 HB2 PHE A 70 107.599 -23.374 2.979 1.00 0.00 H new ATOM 0 HB3 PHE A 70 108.373 -24.811 3.616 1.00 0.00 H new ATOM 0 HD1 PHE A 70 108.589 -22.114 1.183 1.00 0.00 H new ATOM 0 HD2 PHE A 70 110.210 -25.939 2.276 1.00 0.00 H new ATOM 0 HE1 PHE A 70 110.567 -21.684 -0.248 1.00 0.00 H new ATOM 0 HE2 PHE A 70 112.189 -25.509 0.845 1.00 0.00 H new ATOM 0 HZ PHE A 70 112.370 -23.380 -0.415 1.00 0.00 H new ATOM 1213 N GLY A 71 104.724 -25.591 2.413 1.00 0.00 N ATOM 1214 CA GLY A 71 103.586 -25.991 3.231 1.00 0.00 C ATOM 1215 C GLY A 71 103.755 -25.511 4.670 1.00 0.00 C ATOM 1216 O GLY A 71 103.788 -26.312 5.602 1.00 0.00 O ATOM 0 H GLY A 71 104.482 -25.271 1.475 1.00 0.00 H new ATOM 0 HA2 GLY A 71 102.668 -25.579 2.811 1.00 0.00 H new ATOM 0 HA3 GLY A 71 103.485 -27.076 3.215 1.00 0.00 H new ATOM 1220 N PRO A 72 103.860 -24.223 4.859 1.00 0.00 N ATOM 1221 CA PRO A 72 104.033 -23.617 6.209 1.00 0.00 C ATOM 1222 C PRO A 72 102.718 -23.542 6.981 1.00 0.00 C ATOM 1223 O PRO A 72 101.714 -23.047 6.469 1.00 0.00 O ATOM 1224 CB PRO A 72 104.570 -22.218 5.909 1.00 0.00 C ATOM 1225 CG PRO A 72 104.060 -21.881 4.544 1.00 0.00 C ATOM 1226 CD PRO A 72 103.823 -23.202 3.804 1.00 0.00 C ATOM 0 HA PRO A 72 104.696 -24.208 6.841 1.00 0.00 H new ATOM 0 HB2 PRO A 72 104.221 -21.497 6.648 1.00 0.00 H new ATOM 0 HB3 PRO A 72 105.660 -22.201 5.937 1.00 0.00 H new ATOM 0 HG2 PRO A 72 103.136 -21.307 4.611 1.00 0.00 H new ATOM 0 HG3 PRO A 72 104.780 -21.264 4.007 1.00 0.00 H new ATOM 0 HD2 PRO A 72 102.864 -23.201 3.286 1.00 0.00 H new ATOM 0 HD3 PRO A 72 104.592 -23.380 3.052 1.00 0.00 H new ATOM 1234 N GLU A 73 102.734 -24.032 8.216 1.00 0.00 N ATOM 1235 CA GLU A 73 101.541 -24.003 9.050 1.00 0.00 C ATOM 1236 C GLU A 73 101.455 -22.689 9.820 1.00 0.00 C ATOM 1237 O GLU A 73 100.371 -22.243 10.192 1.00 0.00 O ATOM 1238 CB GLU A 73 101.562 -25.180 10.031 1.00 0.00 C ATOM 1239 CG GLU A 73 100.203 -25.293 10.729 1.00 0.00 C ATOM 1240 CD GLU A 73 99.141 -25.746 9.730 1.00 0.00 C ATOM 1241 OE1 GLU A 73 99.513 -26.112 8.627 1.00 0.00 O ATOM 1242 OE2 GLU A 73 97.973 -25.716 10.082 1.00 0.00 O ATOM 0 H GLU A 73 103.553 -24.450 8.657 1.00 0.00 H new ATOM 0 HA GLU A 73 100.666 -24.086 8.405 1.00 0.00 H new ATOM 0 HB2 GLU A 73 101.787 -26.105 9.500 1.00 0.00 H new ATOM 0 HB3 GLU A 73 102.351 -25.037 10.770 1.00 0.00 H new ATOM 0 HG2 GLU A 73 100.266 -26.004 11.553 1.00 0.00 H new ATOM 0 HG3 GLU A 73 99.924 -24.331 11.158 1.00 0.00 H new ATOM 1249 N LYS A 74 102.611 -22.086 10.076 1.00 0.00 N ATOM 1250 CA LYS A 74 102.656 -20.839 10.830 1.00 0.00 C ATOM 1251 C LYS A 74 101.957 -19.724 10.073 1.00 0.00 C ATOM 1252 O LYS A 74 101.139 -19.009 10.648 1.00 0.00 O ATOM 1253 CB LYS A 74 104.112 -20.441 11.092 1.00 0.00 C ATOM 1254 CG LYS A 74 104.939 -21.693 11.412 1.00 0.00 C ATOM 1255 CD LYS A 74 104.279 -22.467 12.554 1.00 0.00 C ATOM 1256 CE LYS A 74 105.210 -23.585 13.018 1.00 0.00 C ATOM 1257 NZ LYS A 74 104.593 -24.294 14.176 1.00 0.00 N ATOM 0 H LYS A 74 103.521 -22.436 9.776 1.00 0.00 H new ATOM 0 HA LYS A 74 102.141 -20.995 11.778 1.00 0.00 H new ATOM 0 HB2 LYS A 74 104.524 -19.934 10.219 1.00 0.00 H new ATOM 0 HB3 LYS A 74 104.163 -19.737 11.923 1.00 0.00 H new ATOM 0 HG2 LYS A 74 105.016 -22.326 10.528 1.00 0.00 H new ATOM 0 HG3 LYS A 74 105.954 -21.409 11.691 1.00 0.00 H new ATOM 0 HD2 LYS A 74 104.059 -21.795 13.383 1.00 0.00 H new ATOM 0 HD3 LYS A 74 103.329 -22.885 12.222 1.00 0.00 H new ATOM 0 HE2 LYS A 74 105.390 -24.285 12.202 1.00 0.00 H new ATOM 0 HE3 LYS A 74 106.178 -23.173 13.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 105.226 -25.056 14.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 104.443 -23.621 14.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 103.680 -24.700 13.888 1.00 0.00 H new ATOM 1271 N VAL A 75 102.276 -19.598 8.783 1.00 0.00 N ATOM 1272 CA VAL A 75 101.669 -18.566 7.947 1.00 0.00 C ATOM 1273 C VAL A 75 101.215 -17.381 8.794 1.00 0.00 C ATOM 1274 O VAL A 75 100.047 -17.296 9.177 1.00 0.00 O ATOM 1275 CB VAL A 75 100.480 -19.139 7.187 1.00 0.00 C ATOM 1276 CG1 VAL A 75 99.755 -18.011 6.455 1.00 0.00 C ATOM 1277 CG2 VAL A 75 100.984 -20.165 6.168 1.00 0.00 C ATOM 0 H VAL A 75 102.947 -20.195 8.299 1.00 0.00 H new ATOM 0 HA VAL A 75 102.419 -18.219 7.236 1.00 0.00 H new ATOM 0 HB VAL A 75 99.794 -19.619 7.884 1.00 0.00 H new ATOM 0 HG11 VAL A 75 98.904 -18.419 5.910 1.00 0.00 H new ATOM 0 HG12 VAL A 75 99.404 -17.275 7.178 1.00 0.00 H new ATOM 0 HG13 VAL A 75 100.439 -17.534 5.754 1.00 0.00 H new ATOM 0 HG21 VAL A 75 100.138 -20.580 5.620 1.00 0.00 H new ATOM 0 HG22 VAL A 75 101.666 -19.680 5.470 1.00 0.00 H new ATOM 0 HG23 VAL A 75 101.508 -20.967 6.688 1.00 0.00 H new ATOM 1287 N PRO A 76 102.115 -16.488 9.116 1.00 0.00 N ATOM 1288 CA PRO A 76 101.800 -15.296 9.957 1.00 0.00 C ATOM 1289 C PRO A 76 100.617 -14.509 9.402 1.00 0.00 C ATOM 1290 O PRO A 76 100.613 -14.112 8.236 1.00 0.00 O ATOM 1291 CB PRO A 76 103.088 -14.469 9.902 1.00 0.00 C ATOM 1292 CG PRO A 76 104.172 -15.442 9.571 1.00 0.00 C ATOM 1293 CD PRO A 76 103.527 -16.521 8.717 1.00 0.00 C ATOM 0 HA PRO A 76 101.509 -15.567 10.972 1.00 0.00 H new ATOM 0 HB2 PRO A 76 103.020 -13.686 9.147 1.00 0.00 H new ATOM 0 HB3 PRO A 76 103.280 -13.977 10.856 1.00 0.00 H new ATOM 0 HG2 PRO A 76 104.983 -14.952 9.032 1.00 0.00 H new ATOM 0 HG3 PRO A 76 104.603 -15.868 10.477 1.00 0.00 H new ATOM 0 HD2 PRO A 76 103.647 -16.314 7.654 1.00 0.00 H new ATOM 0 HD3 PRO A 76 103.972 -17.498 8.904 1.00 0.00 H new ATOM 1301 N VAL A 77 99.620 -14.285 10.246 1.00 0.00 N ATOM 1302 CA VAL A 77 98.430 -13.542 9.836 1.00 0.00 C ATOM 1303 C VAL A 77 98.678 -12.042 9.909 1.00 0.00 C ATOM 1304 O VAL A 77 98.049 -11.267 9.197 1.00 0.00 O ATOM 1305 CB VAL A 77 97.246 -13.918 10.724 1.00 0.00 C ATOM 1306 CG1 VAL A 77 96.009 -13.127 10.292 1.00 0.00 C ATOM 1307 CG2 VAL A 77 96.961 -15.425 10.590 1.00 0.00 C ATOM 0 H VAL A 77 99.608 -14.604 11.215 1.00 0.00 H new ATOM 0 HA VAL A 77 98.201 -13.804 8.803 1.00 0.00 H new ATOM 0 HB VAL A 77 97.484 -13.683 11.761 1.00 0.00 H new ATOM 0 HG11 VAL A 77 95.165 -13.396 10.927 1.00 0.00 H new ATOM 0 HG12 VAL A 77 96.208 -12.060 10.387 1.00 0.00 H new ATOM 0 HG13 VAL A 77 95.772 -13.361 9.254 1.00 0.00 H new ATOM 0 HG21 VAL A 77 96.116 -15.693 11.224 1.00 0.00 H new ATOM 0 HG22 VAL A 77 96.725 -15.660 9.552 1.00 0.00 H new ATOM 0 HG23 VAL A 77 97.840 -15.990 10.899 1.00 0.00 H new ATOM 1317 N THR A 78 99.594 -11.641 10.781 1.00 0.00 N ATOM 1318 CA THR A 78 99.909 -10.227 10.944 1.00 0.00 C ATOM 1319 C THR A 78 100.035 -9.553 9.583 1.00 0.00 C ATOM 1320 O THR A 78 99.730 -8.370 9.437 1.00 0.00 O ATOM 1321 CB THR A 78 101.226 -10.075 11.711 1.00 0.00 C ATOM 1322 OG1 THR A 78 102.309 -10.424 10.862 1.00 0.00 O ATOM 1323 CG2 THR A 78 101.216 -10.998 12.932 1.00 0.00 C ATOM 0 H THR A 78 100.128 -12.269 11.382 1.00 0.00 H new ATOM 0 HA THR A 78 99.103 -9.752 11.503 1.00 0.00 H new ATOM 0 HB THR A 78 101.339 -9.042 12.039 1.00 0.00 H new ATOM 0 HG1 THR A 78 103.153 -10.326 11.351 1.00 0.00 H new ATOM 0 HG21 THR A 78 102.153 -10.890 13.478 1.00 0.00 H new ATOM 0 HG22 THR A 78 100.384 -10.731 13.583 1.00 0.00 H new ATOM 0 HG23 THR A 78 101.104 -12.032 12.606 1.00 0.00 H new ATOM 1331 N ALA A 79 100.479 -10.313 8.588 1.00 0.00 N ATOM 1332 CA ALA A 79 100.640 -9.776 7.242 1.00 0.00 C ATOM 1333 C ALA A 79 99.321 -9.204 6.725 1.00 0.00 C ATOM 1334 O ALA A 79 99.304 -8.235 5.963 1.00 0.00 O ATOM 1335 CB ALA A 79 101.112 -10.881 6.296 1.00 0.00 C ATOM 0 H ALA A 79 100.732 -11.296 8.687 1.00 0.00 H new ATOM 0 HA ALA A 79 101.381 -8.978 7.280 1.00 0.00 H new ATOM 0 HB1 ALA A 79 101.231 -10.474 5.292 1.00 0.00 H new ATOM 0 HB2 ALA A 79 102.067 -11.274 6.644 1.00 0.00 H new ATOM 0 HB3 ALA A 79 100.375 -11.684 6.278 1.00 0.00 H new ATOM 1341 N PHE A 80 98.216 -9.800 7.160 1.00 0.00 N ATOM 1342 CA PHE A 80 96.896 -9.340 6.746 1.00 0.00 C ATOM 1343 C PHE A 80 96.604 -7.950 7.300 1.00 0.00 C ATOM 1344 O PHE A 80 96.030 -7.104 6.612 1.00 0.00 O ATOM 1345 CB PHE A 80 95.823 -10.321 7.226 1.00 0.00 C ATOM 1346 CG PHE A 80 95.797 -11.524 6.317 1.00 0.00 C ATOM 1347 CD1 PHE A 80 96.819 -12.479 6.388 1.00 0.00 C ATOM 1348 CD2 PHE A 80 94.750 -11.686 5.402 1.00 0.00 C ATOM 1349 CE1 PHE A 80 96.793 -13.596 5.544 1.00 0.00 C ATOM 1350 CE2 PHE A 80 94.724 -12.803 4.559 1.00 0.00 C ATOM 1351 CZ PHE A 80 95.745 -13.757 4.629 1.00 0.00 C ATOM 0 H PHE A 80 98.208 -10.598 7.795 1.00 0.00 H new ATOM 0 HA PHE A 80 96.881 -9.290 5.657 1.00 0.00 H new ATOM 0 HB2 PHE A 80 96.031 -10.631 8.250 1.00 0.00 H new ATOM 0 HB3 PHE A 80 94.847 -9.835 7.231 1.00 0.00 H new ATOM 0 HD1 PHE A 80 97.627 -12.354 7.094 1.00 0.00 H new ATOM 0 HD2 PHE A 80 93.962 -10.949 5.347 1.00 0.00 H new ATOM 0 HE1 PHE A 80 97.581 -14.333 5.599 1.00 0.00 H new ATOM 0 HE2 PHE A 80 93.915 -12.929 3.854 1.00 0.00 H new ATOM 0 HZ PHE A 80 95.725 -14.618 3.977 1.00 0.00 H new ATOM 1361 N SER A 81 97.001 -7.718 8.546 1.00 0.00 N ATOM 1362 CA SER A 81 96.775 -6.428 9.184 1.00 0.00 C ATOM 1363 C SER A 81 97.478 -5.316 8.412 1.00 0.00 C ATOM 1364 O SER A 81 96.937 -4.224 8.247 1.00 0.00 O ATOM 1365 CB SER A 81 97.292 -6.457 10.622 1.00 0.00 C ATOM 1366 OG SER A 81 96.500 -7.358 11.386 1.00 0.00 O ATOM 0 H SER A 81 97.479 -8.403 9.132 1.00 0.00 H new ATOM 0 HA SER A 81 95.703 -6.231 9.188 1.00 0.00 H new ATOM 0 HB2 SER A 81 98.337 -6.768 10.639 1.00 0.00 H new ATOM 0 HB3 SER A 81 97.249 -5.458 11.057 1.00 0.00 H new ATOM 0 HG SER A 81 96.829 -7.381 12.309 1.00 0.00 H new ATOM 1372 N TYR A 82 98.687 -5.604 7.942 1.00 0.00 N ATOM 1373 CA TYR A 82 99.455 -4.621 7.190 1.00 0.00 C ATOM 1374 C TYR A 82 98.703 -4.198 5.938 1.00 0.00 C ATOM 1375 O TYR A 82 98.605 -3.018 5.639 1.00 0.00 O ATOM 1376 CB TYR A 82 100.812 -5.207 6.792 1.00 0.00 C ATOM 1377 CG TYR A 82 101.807 -4.980 7.902 1.00 0.00 C ATOM 1378 CD1 TYR A 82 101.997 -5.957 8.886 1.00 0.00 C ATOM 1379 CD2 TYR A 82 102.541 -3.788 7.950 1.00 0.00 C ATOM 1380 CE1 TYR A 82 102.920 -5.744 9.918 1.00 0.00 C ATOM 1381 CE2 TYR A 82 103.464 -3.574 8.980 1.00 0.00 C ATOM 1382 CZ TYR A 82 103.653 -4.552 9.964 1.00 0.00 C ATOM 1383 OH TYR A 82 104.563 -4.341 10.981 1.00 0.00 O ATOM 0 H TYR A 82 99.152 -6.503 8.067 1.00 0.00 H new ATOM 0 HA TYR A 82 99.607 -3.748 7.825 1.00 0.00 H new ATOM 0 HB2 TYR A 82 100.714 -6.274 6.591 1.00 0.00 H new ATOM 0 HB3 TYR A 82 101.165 -4.740 5.872 1.00 0.00 H new ATOM 0 HD1 TYR A 82 101.431 -6.876 8.850 1.00 0.00 H new ATOM 0 HD2 TYR A 82 102.395 -3.033 7.191 1.00 0.00 H new ATOM 0 HE1 TYR A 82 103.066 -6.498 10.677 1.00 0.00 H new ATOM 0 HE2 TYR A 82 104.030 -2.655 9.016 1.00 0.00 H new ATOM 0 HH TYR A 82 104.987 -3.465 10.864 1.00 0.00 H new ATOM 1393 N TRP A 83 98.175 -5.172 5.208 1.00 0.00 N ATOM 1394 CA TRP A 83 97.447 -4.878 3.979 1.00 0.00 C ATOM 1395 C TRP A 83 96.310 -3.897 4.236 1.00 0.00 C ATOM 1396 O TRP A 83 96.149 -2.915 3.511 1.00 0.00 O ATOM 1397 CB TRP A 83 96.873 -6.173 3.393 1.00 0.00 C ATOM 1398 CG TRP A 83 97.955 -6.928 2.690 1.00 0.00 C ATOM 1399 CD1 TRP A 83 99.201 -7.132 3.177 1.00 0.00 C ATOM 1400 CD2 TRP A 83 97.913 -7.581 1.389 1.00 0.00 C ATOM 1401 NE1 TRP A 83 99.926 -7.867 2.257 1.00 0.00 N ATOM 1402 CE2 TRP A 83 99.176 -8.169 1.138 1.00 0.00 C ATOM 1403 CE3 TRP A 83 96.912 -7.719 0.411 1.00 0.00 C ATOM 1404 CZ2 TRP A 83 99.436 -8.869 -0.041 1.00 0.00 C ATOM 1405 CZ3 TRP A 83 97.171 -8.423 -0.777 1.00 0.00 C ATOM 1406 CH2 TRP A 83 98.430 -8.995 -1.003 1.00 0.00 C ATOM 0 H TRP A 83 98.236 -6.163 5.442 1.00 0.00 H new ATOM 0 HA TRP A 83 98.144 -4.426 3.273 1.00 0.00 H new ATOM 0 HB2 TRP A 83 96.445 -6.785 4.187 1.00 0.00 H new ATOM 0 HB3 TRP A 83 96.066 -5.943 2.698 1.00 0.00 H new ATOM 0 HD1 TRP A 83 99.569 -6.778 4.129 1.00 0.00 H new ATOM 0 HE1 TRP A 83 100.897 -8.151 2.389 1.00 0.00 H new ATOM 0 HE3 TRP A 83 95.938 -7.281 0.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 100.407 -9.310 -0.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 96.395 -8.524 -1.521 1.00 0.00 H new ATOM 0 HH2 TRP A 83 98.623 -9.533 -1.920 1.00 0.00 H new ATOM 1417 N ASN A 84 95.519 -4.174 5.263 1.00 0.00 N ATOM 1418 CA ASN A 84 94.388 -3.318 5.591 1.00 0.00 C ATOM 1419 C ASN A 84 94.850 -1.932 6.025 1.00 0.00 C ATOM 1420 O ASN A 84 94.257 -0.920 5.640 1.00 0.00 O ATOM 1421 CB ASN A 84 93.562 -3.954 6.715 1.00 0.00 C ATOM 1422 CG ASN A 84 92.688 -5.073 6.159 1.00 0.00 C ATOM 1423 OD1 ASN A 84 92.799 -5.410 4.903 1.00 0.00 O flip ATOM 1424 ND2 ASN A 84 91.883 -5.653 6.886 1.00 0.00 N flip ATOM 0 H ASN A 84 95.638 -4.978 5.879 1.00 0.00 H new ATOM 0 HA ASN A 84 93.776 -3.212 4.695 1.00 0.00 H new ATOM 0 HB2 ASN A 84 94.225 -4.349 7.484 1.00 0.00 H new ATOM 0 HB3 ASN A 84 92.938 -3.197 7.190 1.00 0.00 H new ATOM 0 HD21 ASN A 84 91.799 -5.387 7.867 1.00 0.00 H new ATOM 0 HD22 ASN A 84 91.300 -6.400 6.508 1.00 0.00 H new ATOM 1431 N LEU A 85 95.908 -1.890 6.831 1.00 0.00 N ATOM 1432 CA LEU A 85 96.424 -0.625 7.323 1.00 0.00 C ATOM 1433 C LEU A 85 97.075 0.175 6.202 1.00 0.00 C ATOM 1434 O LEU A 85 96.669 1.295 5.915 1.00 0.00 O ATOM 1435 CB LEU A 85 97.449 -0.883 8.430 1.00 0.00 C ATOM 1436 CG LEU A 85 97.924 0.451 9.008 1.00 0.00 C ATOM 1437 CD1 LEU A 85 96.741 1.195 9.632 1.00 0.00 C ATOM 1438 CD2 LEU A 85 98.980 0.194 10.081 1.00 0.00 C ATOM 0 H LEU A 85 96.418 -2.713 7.153 1.00 0.00 H new ATOM 0 HA LEU A 85 95.589 -0.046 7.718 1.00 0.00 H new ATOM 0 HB2 LEU A 85 97.005 -1.494 9.216 1.00 0.00 H new ATOM 0 HB3 LEU A 85 98.296 -1.441 8.032 1.00 0.00 H new ATOM 0 HG LEU A 85 98.352 1.056 8.209 1.00 0.00 H new ATOM 0 HD11 LEU A 85 97.084 2.145 10.042 1.00 0.00 H new ATOM 0 HD12 LEU A 85 95.985 1.381 8.869 1.00 0.00 H new ATOM 0 HD13 LEU A 85 96.310 0.590 10.429 1.00 0.00 H new ATOM 0 HD21 LEU A 85 99.319 1.145 10.493 1.00 0.00 H new ATOM 0 HD22 LEU A 85 98.550 -0.414 10.877 1.00 0.00 H new ATOM 0 HD23 LEU A 85 99.826 -0.332 9.640 1.00 0.00 H new ATOM 1450 N ILE A 86 98.078 -0.411 5.568 1.00 0.00 N ATOM 1451 CA ILE A 86 98.768 0.250 4.472 1.00 0.00 C ATOM 1452 C ILE A 86 97.777 0.655 3.391 1.00 0.00 C ATOM 1453 O ILE A 86 97.907 1.717 2.778 1.00 0.00 O ATOM 1454 CB ILE A 86 99.845 -0.667 3.888 1.00 0.00 C ATOM 1455 CG1 ILE A 86 101.195 -0.353 4.549 1.00 0.00 C ATOM 1456 CG2 ILE A 86 99.950 -0.458 2.381 1.00 0.00 C ATOM 1457 CD1 ILE A 86 102.059 -1.614 4.569 1.00 0.00 C ATOM 0 H ILE A 86 98.432 -1.341 5.793 1.00 0.00 H new ATOM 0 HA ILE A 86 99.250 1.148 4.858 1.00 0.00 H new ATOM 0 HB ILE A 86 99.576 -1.705 4.082 1.00 0.00 H new ATOM 0 HG12 ILE A 86 101.704 0.441 4.002 1.00 0.00 H new ATOM 0 HG13 ILE A 86 101.039 0.010 5.565 1.00 0.00 H new ATOM 0 HG21 ILE A 86 100.719 -1.115 1.975 1.00 0.00 H new ATOM 0 HG22 ILE A 86 98.992 -0.689 1.914 1.00 0.00 H new ATOM 0 HG23 ILE A 86 100.214 0.579 2.175 1.00 0.00 H new ATOM 0 HD11 ILE A 86 103.017 -1.391 5.038 1.00 0.00 H new ATOM 0 HD12 ILE A 86 101.551 -2.394 5.135 1.00 0.00 H new ATOM 0 HD13 ILE A 86 102.226 -1.957 3.548 1.00 0.00 H new ATOM 1469 N LYS A 87 96.804 -0.212 3.137 1.00 0.00 N ATOM 1470 CA LYS A 87 95.812 0.059 2.107 1.00 0.00 C ATOM 1471 C LYS A 87 95.169 1.418 2.330 1.00 0.00 C ATOM 1472 O LYS A 87 95.064 2.222 1.404 1.00 0.00 O ATOM 1473 CB LYS A 87 94.729 -1.028 2.136 1.00 0.00 C ATOM 1474 CG LYS A 87 93.467 -0.516 1.436 1.00 0.00 C ATOM 1475 CD LYS A 87 92.482 -1.669 1.245 1.00 0.00 C ATOM 1476 CE LYS A 87 91.267 -1.174 0.457 1.00 0.00 C ATOM 1477 NZ LYS A 87 90.364 -2.323 0.166 1.00 0.00 N ATOM 0 H LYS A 87 96.682 -1.099 3.625 1.00 0.00 H new ATOM 0 HA LYS A 87 96.309 0.059 1.137 1.00 0.00 H new ATOM 0 HB2 LYS A 87 95.091 -1.929 1.641 1.00 0.00 H new ATOM 0 HB3 LYS A 87 94.500 -1.300 3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 87 93.006 0.275 2.028 1.00 0.00 H new ATOM 0 HG3 LYS A 87 93.726 -0.082 0.470 1.00 0.00 H new ATOM 0 HD2 LYS A 87 92.964 -2.490 0.714 1.00 0.00 H new ATOM 0 HD3 LYS A 87 92.167 -2.057 2.214 1.00 0.00 H new ATOM 0 HE2 LYS A 87 90.734 -0.414 1.029 1.00 0.00 H new ATOM 0 HE3 LYS A 87 91.589 -0.706 -0.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 89.538 -1.988 -0.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 90.876 -3.033 -0.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 90.047 -2.751 1.060 1.00 0.00 H new ATOM 1491 N GLU A 88 94.734 1.666 3.556 1.00 0.00 N ATOM 1492 CA GLU A 88 94.097 2.933 3.884 1.00 0.00 C ATOM 1493 C GLU A 88 95.130 3.998 4.224 1.00 0.00 C ATOM 1494 O GLU A 88 94.817 5.189 4.277 1.00 0.00 O ATOM 1495 CB GLU A 88 93.137 2.735 5.062 1.00 0.00 C ATOM 1496 CG GLU A 88 93.854 3.028 6.385 1.00 0.00 C ATOM 1497 CD GLU A 88 93.864 4.532 6.663 1.00 0.00 C ATOM 1498 OE1 GLU A 88 94.866 5.016 7.162 1.00 0.00 O ATOM 1499 OE2 GLU A 88 92.871 5.176 6.365 1.00 0.00 O ATOM 0 H GLU A 88 94.809 1.012 4.335 1.00 0.00 H new ATOM 0 HA GLU A 88 93.540 3.274 3.012 1.00 0.00 H new ATOM 0 HB2 GLU A 88 92.276 3.394 4.953 1.00 0.00 H new ATOM 0 HB3 GLU A 88 92.758 1.713 5.064 1.00 0.00 H new ATOM 0 HG2 GLU A 88 93.355 2.504 7.200 1.00 0.00 H new ATOM 0 HG3 GLU A 88 94.876 2.652 6.343 1.00 0.00 H new ATOM 1506 N LEU A 89 96.348 3.557 4.518 1.00 0.00 N ATOM 1507 CA LEU A 89 97.396 4.475 4.930 1.00 0.00 C ATOM 1508 C LEU A 89 97.673 5.492 3.835 1.00 0.00 C ATOM 1509 O LEU A 89 97.843 6.681 4.107 1.00 0.00 O ATOM 1510 CB LEU A 89 98.681 3.698 5.230 1.00 0.00 C ATOM 1511 CG LEU A 89 99.708 4.614 5.891 1.00 0.00 C ATOM 1512 CD1 LEU A 89 99.186 5.074 7.257 1.00 0.00 C ATOM 1513 CD2 LEU A 89 101.028 3.865 6.078 1.00 0.00 C ATOM 0 H LEU A 89 96.630 2.578 4.478 1.00 0.00 H new ATOM 0 HA LEU A 89 97.063 4.997 5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 89 98.460 2.855 5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 89 99.090 3.287 4.307 1.00 0.00 H new ATOM 0 HG LEU A 89 99.873 5.482 5.253 1.00 0.00 H new ATOM 0 HD11 LEU A 89 99.921 5.728 7.726 1.00 0.00 H new ATOM 0 HD12 LEU A 89 98.250 5.617 7.125 1.00 0.00 H new ATOM 0 HD13 LEU A 89 99.015 4.205 7.893 1.00 0.00 H new ATOM 0 HD21 LEU A 89 101.757 4.524 6.550 1.00 0.00 H new ATOM 0 HD22 LEU A 89 100.865 2.992 6.710 1.00 0.00 H new ATOM 0 HD23 LEU A 89 101.405 3.544 5.107 1.00 0.00 H new ATOM 1525 N ILE A 90 97.712 5.018 2.596 1.00 0.00 N ATOM 1526 CA ILE A 90 97.974 5.895 1.467 1.00 0.00 C ATOM 1527 C ILE A 90 96.901 6.981 1.373 1.00 0.00 C ATOM 1528 O ILE A 90 97.200 8.146 1.110 1.00 0.00 O ATOM 1529 CB ILE A 90 98.000 5.087 0.163 1.00 0.00 C ATOM 1530 CG1 ILE A 90 99.239 4.189 0.159 1.00 0.00 C ATOM 1531 CG2 ILE A 90 98.049 6.045 -1.038 1.00 0.00 C ATOM 1532 CD1 ILE A 90 99.354 3.480 -1.196 1.00 0.00 C ATOM 0 H ILE A 90 97.567 4.039 2.351 1.00 0.00 H new ATOM 0 HA ILE A 90 98.945 6.367 1.618 1.00 0.00 H new ATOM 0 HB ILE A 90 97.102 4.474 0.091 1.00 0.00 H new ATOM 0 HG12 ILE A 90 100.133 4.784 0.347 1.00 0.00 H new ATOM 0 HG13 ILE A 90 99.171 3.454 0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 90 98.067 5.468 -1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 90 97.168 6.687 -1.028 1.00 0.00 H new ATOM 0 HG23 ILE A 90 98.947 6.660 -0.976 1.00 0.00 H new ATOM 0 HD11 ILE A 90 100.237 2.841 -1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 90 98.465 2.872 -1.365 1.00 0.00 H new ATOM 0 HD13 ILE A 90 99.442 4.223 -1.989 1.00 0.00 H new ATOM 1544 N ASP A 91 95.650 6.586 1.572 1.00 0.00 N ATOM 1545 CA ASP A 91 94.537 7.525 1.499 1.00 0.00 C ATOM 1546 C ASP A 91 94.503 8.412 2.738 1.00 0.00 C ATOM 1547 O ASP A 91 93.688 9.328 2.833 1.00 0.00 O ATOM 1548 CB ASP A 91 93.217 6.766 1.369 1.00 0.00 C ATOM 1549 CG ASP A 91 93.130 6.101 0.000 1.00 0.00 C ATOM 1550 OD1 ASP A 91 92.281 5.241 -0.167 1.00 0.00 O ATOM 1551 OD2 ASP A 91 93.914 6.462 -0.863 1.00 0.00 O ATOM 0 H ASP A 91 95.381 5.625 1.784 1.00 0.00 H new ATOM 0 HA ASP A 91 94.676 8.156 0.621 1.00 0.00 H new ATOM 0 HB2 ASP A 91 93.142 6.013 2.154 1.00 0.00 H new ATOM 0 HB3 ASP A 91 92.380 7.451 1.504 1.00 0.00 H new ATOM 1556 N LYS A 92 95.380 8.122 3.692 1.00 0.00 N ATOM 1557 CA LYS A 92 95.435 8.895 4.927 1.00 0.00 C ATOM 1558 C LYS A 92 95.925 10.311 4.655 1.00 0.00 C ATOM 1559 O LYS A 92 95.939 11.151 5.552 1.00 0.00 O ATOM 1560 CB LYS A 92 96.369 8.215 5.930 1.00 0.00 C ATOM 1561 CG LYS A 92 96.008 8.655 7.350 1.00 0.00 C ATOM 1562 CD LYS A 92 96.872 7.894 8.357 1.00 0.00 C ATOM 1563 CE LYS A 92 96.538 8.364 9.774 1.00 0.00 C ATOM 1564 NZ LYS A 92 97.359 7.603 10.756 1.00 0.00 N ATOM 0 H LYS A 92 96.058 7.363 3.635 1.00 0.00 H new ATOM 0 HA LYS A 92 94.429 8.945 5.343 1.00 0.00 H new ATOM 0 HB2 LYS A 92 96.286 7.132 5.842 1.00 0.00 H new ATOM 0 HB3 LYS A 92 97.405 8.474 5.711 1.00 0.00 H new ATOM 0 HG2 LYS A 92 96.163 9.728 7.460 1.00 0.00 H new ATOM 0 HG3 LYS A 92 94.952 8.464 7.544 1.00 0.00 H new ATOM 0 HD2 LYS A 92 96.695 6.822 8.267 1.00 0.00 H new ATOM 0 HD3 LYS A 92 97.928 8.062 8.146 1.00 0.00 H new ATOM 0 HE2 LYS A 92 96.734 9.432 9.870 1.00 0.00 H new ATOM 0 HE3 LYS A 92 95.478 8.215 9.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 97.132 7.922 11.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 97.151 6.588 10.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 98.368 7.767 10.566 1.00 0.00 H new