USER MOD reduce.3.24.130724 H: found=0, std=0, add=1073, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1072 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 103 GLN : amide:sc= -1.7 X(o=-5,f=-4.5) USER MOD Set 1.2: A 106 GLN : amide:sc= -0.883 K(o=-5,f=-7!) USER MOD Set 1.3: A 108 ASN : amide:sc= -0.708 K(o=-5,f=-8.2!) USER MOD Set 1.4: A 111 GLN : amide:sc= -1.66 X(o=-5,f=-5.4!) USER MOD Set 2.1: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 96 THR OG1 : rot 180:sc= 0.0642 USER MOD Set 3.1: A 52 HIS :FLIP no HE2:sc= -0.0295 F(o=-1.2,f=-0.03) USER MOD Set 3.2: A 79 TYR OH : rot 30:sc= 0 USER MOD Set 4.1: A 39 SER OG : rot -36:sc= -1.2! USER MOD Set 4.2: A 68 TYR OH : rot -33:sc= 0.411 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 14 LYS NZ :NH3+ -152:sc= -0.201 (180deg=-1.52!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc=-0.00625 K(o=-0.0062,f=-1.5!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.018 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0197 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -3.47! USER MOD Single : A 48 MET CE :methyl 134:sc= -0.082 (180deg=-0.84) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -107:sc= -8.77! (180deg=-11.1!) USER MOD Single : A 58 ASN : amide:sc= -0.978 K(o=-0.98,f=-5.1!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -1.34 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 63 ASN : amide:sc= -2.97 K(o=-3,f=-5.6!) USER MOD Single : A 74 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.343) USER MOD Single : A 75 THR OG1 : rot -57:sc= -0.949! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -1.11 K(o=-1.1,f=-2!) USER MOD Single : A 89 SER OG : rot 180:sc= -0.74! USER MOD Single : A 98 ASN : amide:sc= -0.0533 K(o=-0.053,f=-2.2!) USER MOD Single : A 101 GLN : amide:sc=-0.00392 K(o=-0.0039,f=-1.5!) USER MOD Single : A 105 LYS NZ :NH3+ -157:sc= -0.0371 (180deg=-0.64) USER MOD Single : A 110 LYS NZ :NH3+ -140:sc= -1.37 (180deg=-1.94!) USER MOD Single : A 119 LYS NZ :NH3+ -155:sc= -0.0712 (180deg=-0.717) USER MOD Single : A 122 MET CE :methyl 153:sc= -1.22 (180deg=-3.24!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 ASN : amide:sc= -4.63! C(o=-4.6!,f=-15!) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0.0851 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0181) USER MOD ----------------------------------------------------------------- ATOM 141 N THR A 9 105.458 13.950 -4.895 1.00 0.00 N ATOM 142 CA THR A 9 105.677 14.901 -6.025 1.00 0.00 C ATOM 143 C THR A 9 107.131 14.816 -6.498 1.00 0.00 C ATOM 144 O THR A 9 107.980 14.272 -5.820 1.00 0.00 O ATOM 145 CB THR A 9 105.388 16.290 -5.446 1.00 0.00 C ATOM 146 OG1 THR A 9 106.376 16.607 -4.476 1.00 0.00 O ATOM 147 CG2 THR A 9 104.004 16.304 -4.789 1.00 0.00 C ATOM 0 HA THR A 9 105.040 14.679 -6.881 1.00 0.00 H new ATOM 0 HB THR A 9 105.409 17.027 -6.249 1.00 0.00 H new ATOM 0 HG1 THR A 9 106.196 17.495 -4.104 1.00 0.00 H new ATOM 0 HG21 THR A 9 103.806 17.295 -4.380 1.00 0.00 H new ATOM 0 HG22 THR A 9 103.246 16.060 -5.533 1.00 0.00 H new ATOM 0 HG23 THR A 9 103.975 15.567 -3.986 1.00 0.00 H new ATOM 155 N ALA A 10 107.430 15.352 -7.651 1.00 0.00 N ATOM 156 CA ALA A 10 108.836 15.298 -8.156 1.00 0.00 C ATOM 157 C ALA A 10 109.781 15.892 -7.116 1.00 0.00 C ATOM 158 O ALA A 10 110.875 15.413 -6.904 1.00 0.00 O ATOM 159 CB ALA A 10 108.840 16.160 -9.415 1.00 0.00 C ATOM 0 H ALA A 10 106.765 15.824 -8.264 1.00 0.00 H new ATOM 0 HA ALA A 10 109.164 14.278 -8.356 1.00 0.00 H new ATOM 0 HB1 ALA A 10 109.841 16.170 -9.846 1.00 0.00 H new ATOM 0 HB2 ALA A 10 108.137 15.749 -10.140 1.00 0.00 H new ATOM 0 HB3 ALA A 10 108.544 17.178 -9.160 1.00 0.00 H new ATOM 165 N GLU A 11 109.356 16.926 -6.459 1.00 0.00 N ATOM 166 CA GLU A 11 110.210 17.558 -5.415 1.00 0.00 C ATOM 167 C GLU A 11 110.492 16.560 -4.295 1.00 0.00 C ATOM 168 O GLU A 11 111.598 16.461 -3.799 1.00 0.00 O ATOM 169 CB GLU A 11 109.370 18.720 -4.897 1.00 0.00 C ATOM 170 CG GLU A 11 109.248 19.775 -6.001 1.00 0.00 C ATOM 171 CD GLU A 11 108.359 20.932 -5.530 1.00 0.00 C ATOM 172 OE1 GLU A 11 107.926 20.907 -4.388 1.00 0.00 O ATOM 173 OE2 GLU A 11 108.126 21.827 -6.325 1.00 0.00 O1- ATOM 0 H GLU A 11 108.447 17.367 -6.598 1.00 0.00 H new ATOM 0 HA GLU A 11 111.177 17.883 -5.799 1.00 0.00 H new ATOM 0 HB2 GLU A 11 108.382 18.368 -4.601 1.00 0.00 H new ATOM 0 HB3 GLU A 11 109.833 19.154 -4.011 1.00 0.00 H new ATOM 0 HG2 GLU A 11 110.236 20.151 -6.266 1.00 0.00 H new ATOM 0 HG3 GLU A 11 108.826 19.325 -6.900 1.00 0.00 H new ATOM 180 N GLU A 12 109.504 15.817 -3.895 1.00 0.00 N ATOM 181 CA GLU A 12 109.715 14.822 -2.814 1.00 0.00 C ATOM 182 C GLU A 12 110.513 13.618 -3.340 1.00 0.00 C ATOM 183 O GLU A 12 111.452 13.163 -2.718 1.00 0.00 O ATOM 184 CB GLU A 12 108.304 14.414 -2.396 1.00 0.00 C ATOM 185 CG GLU A 12 107.603 15.602 -1.716 1.00 0.00 C ATOM 186 CD GLU A 12 106.175 15.211 -1.314 1.00 0.00 C ATOM 187 OE1 GLU A 12 105.803 14.068 -1.527 1.00 0.00 O1- ATOM 188 OE2 GLU A 12 105.476 16.064 -0.794 1.00 0.00 O ATOM 0 H GLU A 12 108.557 15.856 -4.271 1.00 0.00 H new ATOM 0 HA GLU A 12 110.289 15.221 -1.978 1.00 0.00 H new ATOM 0 HB2 GLU A 12 107.734 14.093 -3.268 1.00 0.00 H new ATOM 0 HB3 GLU A 12 108.347 13.565 -1.714 1.00 0.00 H new ATOM 0 HG2 GLU A 12 108.166 15.911 -0.835 1.00 0.00 H new ATOM 0 HG3 GLU A 12 107.578 16.456 -2.393 1.00 0.00 H new ATOM 195 N GLU A 13 110.159 13.105 -4.491 1.00 0.00 N ATOM 196 CA GLU A 13 110.911 11.945 -5.062 1.00 0.00 C ATOM 197 C GLU A 13 112.344 12.371 -5.405 1.00 0.00 C ATOM 198 O GLU A 13 113.287 11.617 -5.259 1.00 0.00 O ATOM 199 CB GLU A 13 110.139 11.560 -6.328 1.00 0.00 C ATOM 200 CG GLU A 13 108.755 11.025 -5.938 1.00 0.00 C ATOM 201 CD GLU A 13 107.947 10.674 -7.194 1.00 0.00 C ATOM 202 OE1 GLU A 13 108.466 10.845 -8.286 1.00 0.00 O1- ATOM 203 OE2 GLU A 13 106.818 10.237 -7.038 1.00 0.00 O ATOM 0 H GLU A 13 109.382 13.439 -5.061 1.00 0.00 H new ATOM 0 HA GLU A 13 110.986 11.110 -4.366 1.00 0.00 H new ATOM 0 HB2 GLU A 13 110.035 12.426 -6.982 1.00 0.00 H new ATOM 0 HB3 GLU A 13 110.689 10.803 -6.887 1.00 0.00 H new ATOM 0 HG2 GLU A 13 108.863 10.142 -5.308 1.00 0.00 H new ATOM 0 HG3 GLU A 13 108.221 11.772 -5.351 1.00 0.00 H new ATOM 210 N LYS A 14 112.517 13.571 -5.867 1.00 0.00 N ATOM 211 CA LYS A 14 113.885 14.043 -6.214 1.00 0.00 C ATOM 212 C LYS A 14 114.772 14.094 -4.961 1.00 0.00 C ATOM 213 O LYS A 14 115.912 13.676 -4.980 1.00 0.00 O ATOM 214 CB LYS A 14 113.672 15.444 -6.773 1.00 0.00 C ATOM 215 CG LYS A 14 114.995 15.999 -7.292 1.00 0.00 C ATOM 216 CD LYS A 14 114.746 17.356 -7.951 1.00 0.00 C ATOM 217 CE LYS A 14 116.073 17.918 -8.465 1.00 0.00 C ATOM 218 NZ LYS A 14 116.931 18.055 -7.247 1.00 0.00 N1+ ATOM 0 H LYS A 14 111.771 14.249 -6.021 1.00 0.00 H new ATOM 0 HA LYS A 14 114.385 13.383 -6.922 1.00 0.00 H new ATOM 0 HB2 LYS A 14 112.938 15.417 -7.578 1.00 0.00 H new ATOM 0 HB3 LYS A 14 113.272 16.098 -5.998 1.00 0.00 H new ATOM 0 HG2 LYS A 14 115.706 16.104 -6.472 1.00 0.00 H new ATOM 0 HG3 LYS A 14 115.437 15.308 -8.010 1.00 0.00 H new ATOM 0 HD2 LYS A 14 114.039 17.250 -8.774 1.00 0.00 H new ATOM 0 HD3 LYS A 14 114.299 18.045 -7.234 1.00 0.00 H new ATOM 0 HE2 LYS A 14 116.528 17.250 -9.196 1.00 0.00 H new ATOM 0 HE3 LYS A 14 115.930 18.880 -8.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 117.618 18.823 -7.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 116.334 18.274 -6.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 117.439 17.163 -7.078 1.00 0.00 H new ATOM 232 N ALA A 15 114.267 14.622 -3.876 1.00 0.00 N ATOM 233 CA ALA A 15 115.104 14.717 -2.643 1.00 0.00 C ATOM 234 C ALA A 15 115.458 13.328 -2.089 1.00 0.00 C ATOM 235 O ALA A 15 116.591 13.084 -1.714 1.00 0.00 O ATOM 236 CB ALA A 15 114.261 15.506 -1.641 1.00 0.00 C ATOM 0 H ALA A 15 113.319 14.989 -3.790 1.00 0.00 H new ATOM 0 HA ALA A 15 116.057 15.205 -2.849 1.00 0.00 H new ATOM 0 HB1 ALA A 15 114.813 15.616 -0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 15 114.039 16.492 -2.049 1.00 0.00 H new ATOM 0 HB3 ALA A 15 113.329 14.974 -1.451 1.00 0.00 H new ATOM 242 N ILE A 16 114.517 12.417 -2.016 1.00 0.00 N ATOM 243 CA ILE A 16 114.851 11.068 -1.461 1.00 0.00 C ATOM 244 C ILE A 16 115.872 10.355 -2.361 1.00 0.00 C ATOM 245 O ILE A 16 116.750 9.653 -1.892 1.00 0.00 O ATOM 246 CB ILE A 16 113.525 10.290 -1.380 1.00 0.00 C ATOM 247 CG1 ILE A 16 113.753 8.999 -0.591 1.00 0.00 C ATOM 248 CG2 ILE A 16 113.018 9.956 -2.786 1.00 0.00 C ATOM 249 CD1 ILE A 16 112.408 8.382 -0.201 1.00 0.00 C ATOM 0 H ILE A 16 113.549 12.545 -2.311 1.00 0.00 H new ATOM 0 HA ILE A 16 115.309 11.142 -0.475 1.00 0.00 H new ATOM 0 HB ILE A 16 112.776 10.903 -0.879 1.00 0.00 H new ATOM 0 HG12 ILE A 16 114.327 8.293 -1.191 1.00 0.00 H new ATOM 0 HG13 ILE A 16 114.340 9.208 0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 16 112.080 9.406 -2.713 1.00 0.00 H new ATOM 0 HG22 ILE A 16 112.855 10.879 -3.343 1.00 0.00 H new ATOM 0 HG23 ILE A 16 113.757 9.345 -3.304 1.00 0.00 H new ATOM 0 HD11 ILE A 16 112.578 7.463 0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 16 111.850 9.086 0.416 1.00 0.00 H new ATOM 0 HD13 ILE A 16 111.836 8.156 -1.101 1.00 0.00 H new ATOM 261 N VAL A 17 115.771 10.549 -3.651 1.00 0.00 N ATOM 262 CA VAL A 17 116.740 9.905 -4.584 1.00 0.00 C ATOM 263 C VAL A 17 118.141 10.456 -4.302 1.00 0.00 C ATOM 264 O VAL A 17 119.119 9.734 -4.327 1.00 0.00 O ATOM 265 CB VAL A 17 116.292 10.301 -5.994 1.00 0.00 C ATOM 266 CG1 VAL A 17 117.302 9.770 -7.015 1.00 0.00 C ATOM 267 CG2 VAL A 17 114.913 9.706 -6.295 1.00 0.00 C ATOM 0 H VAL A 17 115.058 11.126 -4.098 1.00 0.00 H new ATOM 0 HA VAL A 17 116.768 8.821 -4.470 1.00 0.00 H new ATOM 0 HB VAL A 17 116.235 11.388 -6.057 1.00 0.00 H new ATOM 0 HG11 VAL A 17 116.985 10.050 -8.020 1.00 0.00 H new ATOM 0 HG12 VAL A 17 118.284 10.197 -6.811 1.00 0.00 H new ATOM 0 HG13 VAL A 17 117.357 8.684 -6.942 1.00 0.00 H new ATOM 0 HG21 VAL A 17 114.604 9.994 -7.300 1.00 0.00 H new ATOM 0 HG22 VAL A 17 114.963 8.619 -6.228 1.00 0.00 H new ATOM 0 HG23 VAL A 17 114.189 10.081 -5.572 1.00 0.00 H new ATOM 277 N ASP A 18 118.242 11.737 -4.055 1.00 0.00 N ATOM 278 CA ASP A 18 119.588 12.329 -3.795 1.00 0.00 C ATOM 279 C ASP A 18 120.197 11.672 -2.555 1.00 0.00 C ATOM 280 O ASP A 18 121.380 11.399 -2.510 1.00 0.00 O ATOM 281 CB ASP A 18 119.380 13.836 -3.588 1.00 0.00 C ATOM 282 CG ASP A 18 120.743 14.539 -3.520 1.00 0.00 C ATOM 283 OD1 ASP A 18 121.726 13.930 -3.913 1.00 0.00 O ATOM 284 OD2 ASP A 18 120.781 15.674 -3.075 1.00 0.00 O1- ATOM 0 H ASP A 18 117.461 12.392 -4.022 1.00 0.00 H new ATOM 0 HA ASP A 18 120.275 12.162 -4.625 1.00 0.00 H new ATOM 0 HB2 ASP A 18 118.788 14.247 -4.405 1.00 0.00 H new ATOM 0 HB3 ASP A 18 118.822 14.014 -2.669 1.00 0.00 H new ATOM 289 N ALA A 19 119.400 11.395 -1.557 1.00 0.00 N ATOM 290 CA ALA A 19 119.950 10.732 -0.337 1.00 0.00 C ATOM 291 C ALA A 19 120.510 9.354 -0.704 1.00 0.00 C ATOM 292 O ALA A 19 121.534 8.936 -0.200 1.00 0.00 O ATOM 293 CB ALA A 19 118.767 10.587 0.617 1.00 0.00 C ATOM 0 H ALA A 19 118.400 11.597 -1.533 1.00 0.00 H new ATOM 0 HA ALA A 19 120.760 11.306 0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 19 119.099 10.106 1.537 1.00 0.00 H new ATOM 0 HB2 ALA A 19 118.363 11.573 0.848 1.00 0.00 H new ATOM 0 HB3 ALA A 19 117.994 9.979 0.148 1.00 0.00 H new ATOM 299 N ILE A 20 119.848 8.644 -1.579 1.00 0.00 N ATOM 300 CA ILE A 20 120.352 7.294 -1.974 1.00 0.00 C ATOM 301 C ILE A 20 121.722 7.431 -2.648 1.00 0.00 C ATOM 302 O ILE A 20 122.638 6.671 -2.389 1.00 0.00 O ATOM 303 CB ILE A 20 119.304 6.755 -2.959 1.00 0.00 C ATOM 304 CG1 ILE A 20 118.001 6.472 -2.207 1.00 0.00 C ATOM 305 CG2 ILE A 20 119.803 5.459 -3.608 1.00 0.00 C ATOM 306 CD1 ILE A 20 116.878 6.212 -3.212 1.00 0.00 C ATOM 0 H ILE A 20 118.985 8.938 -2.036 1.00 0.00 H new ATOM 0 HA ILE A 20 120.483 6.625 -1.123 1.00 0.00 H new ATOM 0 HB ILE A 20 119.132 7.500 -3.736 1.00 0.00 H new ATOM 0 HG12 ILE A 20 118.126 5.608 -1.554 1.00 0.00 H new ATOM 0 HG13 ILE A 20 117.745 7.319 -1.570 1.00 0.00 H new ATOM 0 HG21 ILE A 20 119.051 5.088 -4.304 1.00 0.00 H new ATOM 0 HG22 ILE A 20 120.730 5.655 -4.147 1.00 0.00 H new ATOM 0 HG23 ILE A 20 119.983 4.711 -2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 20 115.950 6.010 -2.677 1.00 0.00 H new ATOM 0 HD12 ILE A 20 116.748 7.088 -3.847 1.00 0.00 H new ATOM 0 HD13 ILE A 20 117.135 5.351 -3.830 1.00 0.00 H new ATOM 318 N ARG A 21 121.862 8.396 -3.510 1.00 0.00 N ATOM 319 CA ARG A 21 123.162 8.591 -4.213 1.00 0.00 C ATOM 320 C ARG A 21 124.288 8.850 -3.208 1.00 0.00 C ATOM 321 O ARG A 21 125.380 8.337 -3.344 1.00 0.00 O ATOM 322 CB ARG A 21 122.944 9.829 -5.079 1.00 0.00 C ATOM 323 CG ARG A 21 121.997 9.486 -6.233 1.00 0.00 C ATOM 324 CD ARG A 21 121.768 10.732 -7.084 1.00 0.00 C ATOM 325 NE ARG A 21 120.809 10.314 -8.142 1.00 0.00 N ATOM 326 CZ ARG A 21 120.414 11.185 -9.027 1.00 0.00 C ATOM 327 NH1 ARG A 21 119.813 12.271 -8.636 1.00 0.00 N1+ ATOM 328 NH2 ARG A 21 120.609 10.968 -10.299 1.00 0.00 N ATOM 0 H ARG A 21 121.131 9.062 -3.760 1.00 0.00 H new ATOM 0 HA ARG A 21 123.451 7.714 -4.792 1.00 0.00 H new ATOM 0 HB2 ARG A 21 122.525 10.636 -4.479 1.00 0.00 H new ATOM 0 HB3 ARG A 21 123.897 10.184 -5.470 1.00 0.00 H new ATOM 0 HG2 ARG A 21 122.422 8.688 -6.842 1.00 0.00 H new ATOM 0 HG3 ARG A 21 121.048 9.118 -5.843 1.00 0.00 H new ATOM 0 HD2 ARG A 21 121.363 11.548 -6.486 1.00 0.00 H new ATOM 0 HD3 ARG A 21 122.702 11.089 -7.518 1.00 0.00 H new ATOM 0 HE ARG A 21 120.464 9.355 -8.174 1.00 0.00 H new ATOM 0 HH11 ARG A 21 119.654 12.436 -7.642 1.00 0.00 H new ATOM 0 HH12 ARG A 21 119.501 12.957 -9.323 1.00 0.00 H new ATOM 0 HH21 ARG A 21 121.073 10.113 -10.605 1.00 0.00 H new ATOM 0 HH22 ARG A 21 120.297 11.654 -10.987 1.00 0.00 H new ATOM 342 N ASP A 22 124.034 9.643 -2.203 1.00 0.00 N ATOM 343 CA ASP A 22 125.100 9.938 -1.198 1.00 0.00 C ATOM 344 C ASP A 22 125.485 8.676 -0.420 1.00 0.00 C ATOM 345 O ASP A 22 126.638 8.481 -0.085 1.00 0.00 O ATOM 346 CB ASP A 22 124.478 10.962 -0.244 1.00 0.00 C ATOM 347 CG ASP A 22 124.650 12.377 -0.811 1.00 0.00 C ATOM 348 OD1 ASP A 22 125.361 12.527 -1.792 1.00 0.00 O1- ATOM 349 OD2 ASP A 22 124.068 13.289 -0.246 1.00 0.00 O ATOM 0 H ASP A 22 123.138 10.099 -2.033 1.00 0.00 H new ATOM 0 HA ASP A 22 126.007 10.307 -1.677 1.00 0.00 H new ATOM 0 HB2 ASP A 22 123.419 10.744 -0.103 1.00 0.00 H new ATOM 0 HB3 ASP A 22 124.951 10.893 0.736 1.00 0.00 H new ATOM 354 N ALA A 23 124.539 7.828 -0.107 1.00 0.00 N ATOM 355 CA ALA A 23 124.889 6.602 0.675 1.00 0.00 C ATOM 356 C ALA A 23 125.853 5.730 -0.129 1.00 0.00 C ATOM 357 O ALA A 23 126.773 5.148 0.413 1.00 0.00 O ATOM 358 CB ALA A 23 123.573 5.878 0.941 1.00 0.00 C ATOM 0 H ALA A 23 123.554 7.927 -0.354 1.00 0.00 H new ATOM 0 HA ALA A 23 125.389 6.844 1.613 1.00 0.00 H new ATOM 0 HB1 ALA A 23 123.766 4.970 1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 23 122.908 6.529 1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 23 123.103 5.617 -0.007 1.00 0.00 H new ATOM 364 N GLU A 24 125.657 5.629 -1.421 1.00 0.00 N ATOM 365 CA GLU A 24 126.577 4.795 -2.256 1.00 0.00 C ATOM 366 C GLU A 24 128.027 5.309 -2.171 1.00 0.00 C ATOM 367 O GLU A 24 128.957 4.607 -2.513 1.00 0.00 O ATOM 368 CB GLU A 24 126.033 4.914 -3.674 1.00 0.00 C ATOM 369 CG GLU A 24 124.654 4.256 -3.740 1.00 0.00 C ATOM 370 CD GLU A 24 124.788 2.759 -3.457 1.00 0.00 C ATOM 371 OE1 GLU A 24 125.884 2.241 -3.602 1.00 0.00 O ATOM 372 OE2 GLU A 24 123.790 2.155 -3.098 1.00 0.00 O1- ATOM 0 H GLU A 24 124.902 6.086 -1.932 1.00 0.00 H new ATOM 0 HA GLU A 24 126.610 3.760 -1.917 1.00 0.00 H new ATOM 0 HB2 GLU A 24 125.963 5.963 -3.963 1.00 0.00 H new ATOM 0 HB3 GLU A 24 126.712 4.434 -4.378 1.00 0.00 H new ATOM 0 HG2 GLU A 24 123.985 4.716 -3.013 1.00 0.00 H new ATOM 0 HG3 GLU A 24 124.211 4.413 -4.724 1.00 0.00 H new ATOM 379 N LYS A 25 128.225 6.501 -1.671 1.00 0.00 N ATOM 380 CA LYS A 25 129.601 7.023 -1.503 1.00 0.00 C ATOM 381 C LYS A 25 130.064 6.796 -0.046 1.00 0.00 C ATOM 382 O LYS A 25 131.165 7.155 0.320 1.00 0.00 O ATOM 383 CB LYS A 25 129.476 8.497 -1.839 1.00 0.00 C ATOM 384 CG LYS A 25 129.116 8.622 -3.319 1.00 0.00 C ATOM 385 CD LYS A 25 128.872 10.086 -3.664 1.00 0.00 C ATOM 386 CE LYS A 25 128.515 10.213 -5.149 1.00 0.00 C ATOM 387 NZ LYS A 25 128.236 11.663 -5.353 1.00 0.00 N1+ ATOM 0 H LYS A 25 127.484 7.134 -1.372 1.00 0.00 H new ATOM 0 HA LYS A 25 130.341 6.532 -2.135 1.00 0.00 H new ATOM 0 HB2 LYS A 25 128.709 8.964 -1.221 1.00 0.00 H new ATOM 0 HB3 LYS A 25 130.412 9.015 -1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 25 129.922 8.222 -3.935 1.00 0.00 H new ATOM 0 HG3 LYS A 25 128.225 8.033 -3.538 1.00 0.00 H new ATOM 0 HD2 LYS A 25 128.064 10.485 -3.050 1.00 0.00 H new ATOM 0 HD3 LYS A 25 129.762 10.675 -3.442 1.00 0.00 H new ATOM 0 HE2 LYS A 25 129.335 9.875 -5.783 1.00 0.00 H new ATOM 0 HE3 LYS A 25 127.646 9.604 -5.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 127.983 11.831 -6.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 127.447 11.954 -4.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 129.083 12.217 -5.112 1.00 0.00 H new ATOM 401 N ASN A 26 129.238 6.187 0.781 1.00 0.00 N ATOM 402 CA ASN A 26 129.626 5.910 2.180 1.00 0.00 C ATOM 403 C ASN A 26 129.788 4.393 2.372 1.00 0.00 C ATOM 404 O ASN A 26 130.357 3.943 3.345 1.00 0.00 O ATOM 405 CB ASN A 26 128.454 6.425 3.006 1.00 0.00 C ATOM 406 CG ASN A 26 128.409 7.950 2.937 1.00 0.00 C ATOM 407 OD1 ASN A 26 129.404 8.588 2.656 1.00 0.00 O ATOM 408 ND2 ASN A 26 127.284 8.565 3.175 1.00 0.00 N ATOM 0 H ASN A 26 128.302 5.872 0.528 1.00 0.00 H new ATOM 0 HA ASN A 26 130.568 6.379 2.464 1.00 0.00 H new ATOM 0 HB2 ASN A 26 127.520 6.006 2.631 1.00 0.00 H new ATOM 0 HB3 ASN A 26 128.556 6.101 4.042 1.00 0.00 H new ATOM 0 HD21 ASN A 26 127.239 9.583 3.125 1.00 0.00 H new ATOM 0 HD22 ASN A 26 126.449 8.028 3.411 1.00 0.00 H new ATOM 415 N THR A 27 129.290 3.597 1.447 1.00 0.00 N ATOM 416 CA THR A 27 129.428 2.124 1.579 1.00 0.00 C ATOM 417 C THR A 27 129.422 1.467 0.189 1.00 0.00 C ATOM 418 O THR A 27 128.875 2.003 -0.759 1.00 0.00 O ATOM 419 CB THR A 27 128.206 1.669 2.403 1.00 0.00 C ATOM 420 OG1 THR A 27 128.175 0.236 2.543 1.00 0.00 O ATOM 421 CG2 THR A 27 126.915 2.124 1.712 1.00 0.00 C ATOM 0 H THR A 27 128.797 3.913 0.612 1.00 0.00 H new ATOM 0 HA THR A 27 130.363 1.841 2.062 1.00 0.00 H new ATOM 0 HB THR A 27 128.285 2.119 3.393 1.00 0.00 H new ATOM 0 HG1 THR A 27 127.391 -0.024 3.071 1.00 0.00 H new ATOM 0 HG21 THR A 27 126.055 1.800 2.298 1.00 0.00 H new ATOM 0 HG22 THR A 27 126.910 3.211 1.630 1.00 0.00 H new ATOM 0 HG23 THR A 27 126.861 1.685 0.716 1.00 0.00 H new ATOM 429 N SER A 28 129.994 0.299 0.072 1.00 0.00 N ATOM 430 CA SER A 28 129.996 -0.412 -1.239 1.00 0.00 C ATOM 431 C SER A 28 128.715 -1.252 -1.400 1.00 0.00 C ATOM 432 O SER A 28 128.446 -1.776 -2.463 1.00 0.00 O ATOM 433 CB SER A 28 131.217 -1.325 -1.199 1.00 0.00 C ATOM 434 OG SER A 28 131.117 -2.191 -0.078 1.00 0.00 O ATOM 0 H SER A 28 130.462 -0.195 0.832 1.00 0.00 H new ATOM 0 HA SER A 28 130.030 0.285 -2.076 1.00 0.00 H new ATOM 0 HB2 SER A 28 131.281 -1.907 -2.118 1.00 0.00 H new ATOM 0 HB3 SER A 28 132.128 -0.731 -1.134 1.00 0.00 H new ATOM 0 HG SER A 28 131.899 -2.781 -0.049 1.00 0.00 H new ATOM 440 N GLY A 29 127.921 -1.379 -0.363 1.00 0.00 N ATOM 441 CA GLY A 29 126.673 -2.172 -0.477 1.00 0.00 C ATOM 442 C GLY A 29 125.652 -1.373 -1.285 1.00 0.00 C ATOM 443 O GLY A 29 125.908 -0.253 -1.680 1.00 0.00 O ATOM 0 H GLY A 29 128.090 -0.965 0.554 1.00 0.00 H new ATOM 0 HA2 GLY A 29 126.876 -3.126 -0.964 1.00 0.00 H new ATOM 0 HA3 GLY A 29 126.277 -2.397 0.513 1.00 0.00 H new ATOM 447 N GLU A 30 124.504 -1.931 -1.543 1.00 0.00 N ATOM 448 CA GLU A 30 123.484 -1.178 -2.338 1.00 0.00 C ATOM 449 C GLU A 30 122.106 -1.217 -1.665 1.00 0.00 C ATOM 450 O GLU A 30 121.648 -2.244 -1.207 1.00 0.00 O ATOM 451 CB GLU A 30 123.446 -1.869 -3.701 1.00 0.00 C ATOM 452 CG GLU A 30 124.777 -1.651 -4.424 1.00 0.00 C ATOM 453 CD GLU A 30 124.923 -0.178 -4.814 1.00 0.00 C ATOM 454 OE1 GLU A 30 123.912 0.500 -4.882 1.00 0.00 O1- ATOM 455 OE2 GLU A 30 126.044 0.246 -5.040 1.00 0.00 O ATOM 0 H GLU A 30 124.225 -2.865 -1.244 1.00 0.00 H new ATOM 0 HA GLU A 30 123.744 -0.123 -2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 30 123.260 -2.935 -3.574 1.00 0.00 H new ATOM 0 HB3 GLU A 30 122.626 -1.471 -4.299 1.00 0.00 H new ATOM 0 HG2 GLU A 30 125.604 -1.949 -3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 30 124.824 -2.278 -5.314 1.00 0.00 H new ATOM 462 N ILE A 31 121.450 -0.083 -1.615 1.00 0.00 N ATOM 463 CA ILE A 31 120.098 -0.004 -0.988 1.00 0.00 C ATOM 464 C ILE A 31 119.063 0.387 -2.052 1.00 0.00 C ATOM 465 O ILE A 31 119.252 1.327 -2.799 1.00 0.00 O ATOM 466 CB ILE A 31 120.222 1.082 0.090 1.00 0.00 C ATOM 467 CG1 ILE A 31 121.201 0.619 1.174 1.00 0.00 C ATOM 468 CG2 ILE A 31 118.854 1.341 0.728 1.00 0.00 C ATOM 469 CD1 ILE A 31 121.605 1.816 2.040 1.00 0.00 C ATOM 0 H ILE A 31 121.800 0.800 -1.987 1.00 0.00 H new ATOM 0 HA ILE A 31 119.772 -0.952 -0.559 1.00 0.00 H new ATOM 0 HB ILE A 31 120.588 2.000 -0.371 1.00 0.00 H new ATOM 0 HG12 ILE A 31 120.739 -0.151 1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 31 122.084 0.173 0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 31 118.949 2.113 1.492 1.00 0.00 H new ATOM 0 HG22 ILE A 31 118.152 1.673 -0.037 1.00 0.00 H new ATOM 0 HG23 ILE A 31 118.485 0.422 1.184 1.00 0.00 H new ATOM 0 HD11 ILE A 31 122.301 1.488 2.812 1.00 0.00 H new ATOM 0 HD12 ILE A 31 122.083 2.571 1.416 1.00 0.00 H new ATOM 0 HD13 ILE A 31 120.718 2.242 2.509 1.00 0.00 H new ATOM 481 N ARG A 32 117.964 -0.317 -2.112 1.00 0.00 N ATOM 482 CA ARG A 32 116.903 0.013 -3.112 1.00 0.00 C ATOM 483 C ARG A 32 115.519 -0.060 -2.456 1.00 0.00 C ATOM 484 O ARG A 32 115.304 -0.782 -1.502 1.00 0.00 O ATOM 485 CB ARG A 32 117.040 -1.026 -4.228 1.00 0.00 C ATOM 486 CG ARG A 32 118.314 -0.751 -5.033 1.00 0.00 C ATOM 487 CD ARG A 32 118.509 -1.846 -6.081 1.00 0.00 C ATOM 488 NE ARG A 32 117.384 -1.661 -7.035 1.00 0.00 N ATOM 489 CZ ARG A 32 117.521 -0.847 -8.047 1.00 0.00 C ATOM 490 NH1 ARG A 32 118.118 -1.254 -9.132 1.00 0.00 N ATOM 491 NH2 ARG A 32 117.076 0.378 -7.971 1.00 0.00 N1+ ATOM 0 H ARG A 32 117.753 -1.112 -1.508 1.00 0.00 H new ATOM 0 HA ARG A 32 117.013 1.024 -3.505 1.00 0.00 H new ATOM 0 HB2 ARG A 32 117.076 -2.029 -3.802 1.00 0.00 H new ATOM 0 HB3 ARG A 32 116.169 -0.989 -4.882 1.00 0.00 H new ATOM 0 HG2 ARG A 32 118.245 0.222 -5.519 1.00 0.00 H new ATOM 0 HG3 ARG A 32 119.176 -0.715 -4.367 1.00 0.00 H new ATOM 0 HD2 ARG A 32 119.472 -1.748 -6.581 1.00 0.00 H new ATOM 0 HD3 ARG A 32 118.485 -2.837 -5.627 1.00 0.00 H new ATOM 0 HE ARG A 32 116.509 -2.168 -6.900 1.00 0.00 H new ATOM 0 HH11 ARG A 32 118.477 -2.207 -9.190 1.00 0.00 H new ATOM 0 HH12 ARG A 32 118.226 -0.620 -9.923 1.00 0.00 H new ATOM 0 HH21 ARG A 32 116.619 0.703 -7.119 1.00 0.00 H new ATOM 0 HH22 ARG A 32 117.185 1.010 -8.764 1.00 0.00 H new ATOM 505 N VAL A 33 114.590 0.711 -2.955 1.00 0.00 N ATOM 506 CA VAL A 33 113.219 0.732 -2.370 1.00 0.00 C ATOM 507 C VAL A 33 112.172 0.408 -3.445 1.00 0.00 C ATOM 508 O VAL A 33 112.236 0.899 -4.553 1.00 0.00 O ATOM 509 CB VAL A 33 113.049 2.170 -1.852 1.00 0.00 C ATOM 510 CG1 VAL A 33 111.592 2.430 -1.438 1.00 0.00 C ATOM 511 CG2 VAL A 33 113.959 2.377 -0.642 1.00 0.00 C ATOM 0 H VAL A 33 114.725 1.334 -3.752 1.00 0.00 H new ATOM 0 HA VAL A 33 113.086 -0.009 -1.581 1.00 0.00 H new ATOM 0 HB VAL A 33 113.315 2.864 -2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 33 111.494 3.453 -1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 33 110.938 2.286 -2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 33 111.309 1.735 -0.647 1.00 0.00 H new ATOM 0 HG21 VAL A 33 113.843 3.395 -0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 33 113.688 1.671 0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 33 114.996 2.213 -0.935 1.00 0.00 H new ATOM 521 N HIS A 34 111.194 -0.388 -3.102 1.00 0.00 N ATOM 522 CA HIS A 34 110.108 -0.727 -4.070 1.00 0.00 C ATOM 523 C HIS A 34 108.755 -0.352 -3.458 1.00 0.00 C ATOM 524 O HIS A 34 108.417 -0.759 -2.365 1.00 0.00 O ATOM 525 CB HIS A 34 110.195 -2.238 -4.289 1.00 0.00 C ATOM 526 CG HIS A 34 109.276 -2.629 -5.418 1.00 0.00 C ATOM 527 ND1 HIS A 34 109.683 -2.610 -6.744 1.00 0.00 N ATOM 528 CD2 HIS A 34 107.964 -3.040 -5.436 1.00 0.00 C ATOM 529 CE1 HIS A 34 108.637 -2.999 -7.496 1.00 0.00 C ATOM 530 NE2 HIS A 34 107.565 -3.274 -6.749 1.00 0.00 N ATOM 0 H HIS A 34 111.100 -0.822 -2.184 1.00 0.00 H new ATOM 0 HA HIS A 34 110.212 -0.189 -5.012 1.00 0.00 H new ATOM 0 HB2 HIS A 34 111.220 -2.525 -4.523 1.00 0.00 H new ATOM 0 HB3 HIS A 34 109.916 -2.766 -3.377 1.00 0.00 H new ATOM 0 HD2 HIS A 34 107.338 -3.163 -4.564 1.00 0.00 H new ATOM 0 HE1 HIS A 34 108.662 -3.079 -8.573 1.00 0.00 H new ATOM 0 HE2 HIS A 34 106.650 -3.588 -7.071 1.00 0.00 H new ATOM 538 N LEU A 35 107.992 0.445 -4.153 1.00 0.00 N ATOM 539 CA LEU A 35 106.667 0.889 -3.626 1.00 0.00 C ATOM 540 C LEU A 35 105.499 0.332 -4.452 1.00 0.00 C ATOM 541 O LEU A 35 105.458 0.437 -5.662 1.00 0.00 O ATOM 542 CB LEU A 35 106.718 2.411 -3.738 1.00 0.00 C ATOM 543 CG LEU A 35 105.465 3.010 -3.103 1.00 0.00 C ATOM 544 CD1 LEU A 35 105.805 4.368 -2.490 1.00 0.00 C ATOM 545 CD2 LEU A 35 104.393 3.189 -4.178 1.00 0.00 C ATOM 0 H LEU A 35 108.231 0.813 -5.074 1.00 0.00 H new ATOM 0 HA LEU A 35 106.499 0.534 -2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 35 107.609 2.793 -3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 35 106.785 2.707 -4.785 1.00 0.00 H new ATOM 0 HG LEU A 35 105.094 2.344 -2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 35 104.911 4.796 -2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.574 4.241 -1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 35 106.173 5.037 -3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 35 103.496 3.616 -3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 35 104.765 3.858 -4.955 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.153 2.221 -4.617 1.00 0.00 H new ATOM 557 N GLU A 36 104.527 -0.230 -3.772 1.00 0.00 N ATOM 558 CA GLU A 36 103.312 -0.776 -4.453 1.00 0.00 C ATOM 559 C GLU A 36 102.096 -0.592 -3.532 1.00 0.00 C ATOM 560 O GLU A 36 102.227 -0.235 -2.374 1.00 0.00 O ATOM 561 CB GLU A 36 103.593 -2.261 -4.715 1.00 0.00 C ATOM 562 CG GLU A 36 102.427 -2.875 -5.499 1.00 0.00 C ATOM 563 CD GLU A 36 102.695 -4.346 -5.786 1.00 0.00 C ATOM 564 OE1 GLU A 36 103.823 -4.771 -5.616 1.00 0.00 O1- ATOM 565 OE2 GLU A 36 101.753 -5.029 -6.155 1.00 0.00 O ATOM 0 H GLU A 36 104.526 -0.334 -2.757 1.00 0.00 H new ATOM 0 HA GLU A 36 103.096 -0.263 -5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 36 104.521 -2.372 -5.277 1.00 0.00 H new ATOM 0 HB3 GLU A 36 103.727 -2.788 -3.770 1.00 0.00 H new ATOM 0 HG2 GLU A 36 101.503 -2.772 -4.929 1.00 0.00 H new ATOM 0 HG3 GLU A 36 102.286 -2.335 -6.435 1.00 0.00 H new ATOM 572 N LYS A 37 100.910 -0.772 -4.055 1.00 0.00 N ATOM 573 CA LYS A 37 99.683 -0.559 -3.238 1.00 0.00 C ATOM 574 C LYS A 37 99.356 -1.746 -2.323 1.00 0.00 C ATOM 575 O LYS A 37 99.542 -1.676 -1.120 1.00 0.00 O ATOM 576 CB LYS A 37 98.574 -0.328 -4.254 1.00 0.00 C ATOM 577 CG LYS A 37 98.950 0.847 -5.155 1.00 0.00 C ATOM 578 CD LYS A 37 97.827 1.095 -6.159 1.00 0.00 C ATOM 579 CE LYS A 37 97.736 -0.085 -7.131 1.00 0.00 C ATOM 580 NZ LYS A 37 96.754 0.348 -8.164 1.00 0.00 N1+ ATOM 0 H LYS A 37 100.741 -1.059 -5.019 1.00 0.00 H new ATOM 0 HA LYS A 37 99.813 0.282 -2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 37 98.421 -1.226 -4.853 1.00 0.00 H new ATOM 0 HB3 LYS A 37 97.634 -0.122 -3.742 1.00 0.00 H new ATOM 0 HG2 LYS A 37 99.120 1.741 -4.554 1.00 0.00 H new ATOM 0 HG3 LYS A 37 99.881 0.634 -5.680 1.00 0.00 H new ATOM 0 HD2 LYS A 37 96.879 1.222 -5.636 1.00 0.00 H new ATOM 0 HD3 LYS A 37 98.014 2.018 -6.708 1.00 0.00 H new ATOM 0 HE2 LYS A 37 98.706 -0.307 -7.576 1.00 0.00 H new ATOM 0 HE3 LYS A 37 97.403 -0.991 -6.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 96.636 -0.408 -8.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 95.839 0.546 -7.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 97.101 1.208 -8.634 1.00 0.00 H new ATOM 594 N THR A 38 98.866 -2.827 -2.876 1.00 0.00 N ATOM 595 CA THR A 38 98.532 -4.015 -2.033 1.00 0.00 C ATOM 596 C THR A 38 98.901 -5.309 -2.771 1.00 0.00 C ATOM 597 O THR A 38 99.040 -5.334 -3.980 1.00 0.00 O ATOM 598 CB THR A 38 97.018 -3.950 -1.810 1.00 0.00 C ATOM 599 OG1 THR A 38 96.696 -2.780 -1.072 1.00 0.00 O ATOM 600 CG2 THR A 38 96.566 -5.185 -1.028 1.00 0.00 C ATOM 0 H THR A 38 98.683 -2.938 -3.873 1.00 0.00 H new ATOM 0 HA THR A 38 99.081 -4.009 -1.091 1.00 0.00 H new ATOM 0 HB THR A 38 96.510 -3.922 -2.774 1.00 0.00 H new ATOM 0 HG1 THR A 38 95.727 -2.738 -0.931 1.00 0.00 H new ATOM 0 HG21 THR A 38 95.489 -5.140 -0.868 1.00 0.00 H new ATOM 0 HG22 THR A 38 96.812 -6.084 -1.593 1.00 0.00 H new ATOM 0 HG23 THR A 38 97.075 -5.212 -0.064 1.00 0.00 H new ATOM 608 N SER A 39 99.058 -6.383 -2.043 1.00 0.00 N ATOM 609 CA SER A 39 99.415 -7.674 -2.686 1.00 0.00 C ATOM 610 C SER A 39 98.268 -8.678 -2.580 1.00 0.00 C ATOM 611 O SER A 39 97.301 -8.460 -1.880 1.00 0.00 O ATOM 612 CB SER A 39 100.655 -8.163 -1.940 1.00 0.00 C ATOM 613 OG SER A 39 101.682 -7.187 -2.050 1.00 0.00 O ATOM 0 H SER A 39 98.953 -6.418 -1.029 1.00 0.00 H new ATOM 0 HA SER A 39 99.608 -7.557 -3.752 1.00 0.00 H new ATOM 0 HB2 SER A 39 100.417 -8.341 -0.891 1.00 0.00 H new ATOM 0 HB3 SER A 39 100.993 -9.112 -2.355 1.00 0.00 H new ATOM 0 HG SER A 39 101.647 -6.774 -2.938 1.00 0.00 H new ATOM 619 N GLU A 40 98.371 -9.778 -3.268 1.00 0.00 N ATOM 620 CA GLU A 40 97.292 -10.809 -3.213 1.00 0.00 C ATOM 621 C GLU A 40 97.753 -12.033 -2.398 1.00 0.00 C ATOM 622 O GLU A 40 96.959 -12.864 -2.008 1.00 0.00 O ATOM 623 CB GLU A 40 97.067 -11.195 -4.677 1.00 0.00 C ATOM 624 CG GLU A 40 95.899 -12.176 -4.793 1.00 0.00 C ATOM 625 CD GLU A 40 95.736 -12.612 -6.255 1.00 0.00 C ATOM 626 OE1 GLU A 40 96.301 -11.959 -7.120 1.00 0.00 O ATOM 627 OE2 GLU A 40 95.052 -13.596 -6.484 1.00 0.00 O1- ATOM 0 H GLU A 40 99.160 -10.012 -3.871 1.00 0.00 H new ATOM 0 HA GLU A 40 96.386 -10.440 -2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 40 96.862 -10.303 -5.268 1.00 0.00 H new ATOM 0 HB3 GLU A 40 97.972 -11.646 -5.085 1.00 0.00 H new ATOM 0 HG2 GLU A 40 96.078 -13.046 -4.161 1.00 0.00 H new ATOM 0 HG3 GLU A 40 94.981 -11.708 -4.438 1.00 0.00 H new ATOM 634 N ILE A 41 99.032 -12.150 -2.159 1.00 0.00 N ATOM 635 CA ILE A 41 99.574 -13.315 -1.393 1.00 0.00 C ATOM 636 C ILE A 41 100.332 -12.816 -0.145 1.00 0.00 C ATOM 637 O ILE A 41 99.761 -12.113 0.665 1.00 0.00 O ATOM 638 CB ILE A 41 100.487 -14.032 -2.398 1.00 0.00 C ATOM 639 CG1 ILE A 41 101.514 -13.037 -2.973 1.00 0.00 C ATOM 640 CG2 ILE A 41 99.634 -14.598 -3.531 1.00 0.00 C ATOM 641 CD1 ILE A 41 102.568 -13.784 -3.783 1.00 0.00 C ATOM 0 H ILE A 41 99.736 -11.479 -2.466 1.00 0.00 H new ATOM 0 HA ILE A 41 98.806 -13.989 -1.013 1.00 0.00 H new ATOM 0 HB ILE A 41 101.018 -14.841 -1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 41 101.010 -12.305 -3.604 1.00 0.00 H new ATOM 0 HG13 ILE A 41 101.990 -12.485 -2.163 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.275 -15.109 -4.249 1.00 0.00 H new ATOM 0 HG22 ILE A 41 98.911 -15.304 -3.124 1.00 0.00 H new ATOM 0 HG23 ILE A 41 99.106 -13.785 -4.030 1.00 0.00 H new ATOM 0 HD11 ILE A 41 103.289 -13.073 -4.185 1.00 0.00 H new ATOM 0 HD12 ILE A 41 103.082 -14.498 -3.140 1.00 0.00 H new ATOM 0 HD13 ILE A 41 102.087 -14.316 -4.604 1.00 0.00 H new ATOM 653 N ASP A 42 101.602 -13.135 0.027 1.00 0.00 N ATOM 654 CA ASP A 42 102.327 -12.625 1.223 1.00 0.00 C ATOM 655 C ASP A 42 103.385 -11.609 0.789 1.00 0.00 C ATOM 656 O ASP A 42 104.080 -11.796 -0.189 1.00 0.00 O ATOM 657 CB ASP A 42 102.984 -13.841 1.877 1.00 0.00 C ATOM 658 CG ASP A 42 101.917 -14.753 2.483 1.00 0.00 C ATOM 659 OD1 ASP A 42 100.794 -14.302 2.636 1.00 0.00 O ATOM 660 OD2 ASP A 42 102.242 -15.889 2.785 1.00 0.00 O1- ATOM 0 H ASP A 42 102.152 -13.718 -0.604 1.00 0.00 H new ATOM 0 HA ASP A 42 101.656 -12.124 1.921 1.00 0.00 H new ATOM 0 HB2 ASP A 42 103.566 -14.391 1.138 1.00 0.00 H new ATOM 0 HB3 ASP A 42 103.678 -13.516 2.652 1.00 0.00 H new ATOM 665 N VAL A 43 103.502 -10.531 1.509 1.00 0.00 N ATOM 666 CA VAL A 43 104.503 -9.491 1.139 1.00 0.00 C ATOM 667 C VAL A 43 105.923 -10.043 1.256 1.00 0.00 C ATOM 668 O VAL A 43 106.754 -9.814 0.408 1.00 0.00 O ATOM 669 CB VAL A 43 104.273 -8.342 2.116 1.00 0.00 C ATOM 670 CG1 VAL A 43 105.320 -7.253 1.871 1.00 0.00 C ATOM 671 CG2 VAL A 43 102.875 -7.771 1.880 1.00 0.00 C ATOM 0 H VAL A 43 102.947 -10.323 2.340 1.00 0.00 H new ATOM 0 HA VAL A 43 104.389 -9.163 0.106 1.00 0.00 H new ATOM 0 HB VAL A 43 104.359 -8.699 3.142 1.00 0.00 H new ATOM 0 HG11 VAL A 43 105.159 -6.430 2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 43 106.317 -7.666 2.022 1.00 0.00 H new ATOM 0 HG13 VAL A 43 105.231 -6.886 0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 43 102.697 -6.948 2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 43 102.799 -7.407 0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 43 102.131 -8.551 2.044 1.00 0.00 H new ATOM 681 N PHE A 44 106.204 -10.775 2.293 1.00 0.00 N ATOM 682 CA PHE A 44 107.569 -11.353 2.450 1.00 0.00 C ATOM 683 C PHE A 44 107.900 -12.231 1.240 1.00 0.00 C ATOM 684 O PHE A 44 108.948 -12.098 0.636 1.00 0.00 O ATOM 685 CB PHE A 44 107.468 -12.196 3.719 1.00 0.00 C ATOM 686 CG PHE A 44 108.762 -12.929 3.951 1.00 0.00 C ATOM 687 CD1 PHE A 44 109.918 -12.219 4.283 1.00 0.00 C ATOM 688 CD2 PHE A 44 108.799 -14.322 3.840 1.00 0.00 C ATOM 689 CE1 PHE A 44 111.117 -12.903 4.504 1.00 0.00 C ATOM 690 CE2 PHE A 44 109.997 -15.008 4.059 1.00 0.00 C ATOM 691 CZ PHE A 44 111.157 -14.298 4.392 1.00 0.00 C ATOM 0 H PHE A 44 105.549 -11.000 3.041 1.00 0.00 H new ATOM 0 HA PHE A 44 108.352 -10.598 2.516 1.00 0.00 H new ATOM 0 HB2 PHE A 44 107.243 -11.557 4.573 1.00 0.00 H new ATOM 0 HB3 PHE A 44 106.648 -12.908 3.629 1.00 0.00 H new ATOM 0 HD1 PHE A 44 109.886 -11.143 4.369 1.00 0.00 H new ATOM 0 HD2 PHE A 44 107.903 -14.868 3.585 1.00 0.00 H new ATOM 0 HE1 PHE A 44 112.012 -12.356 4.761 1.00 0.00 H new ATOM 0 HE2 PHE A 44 110.028 -16.084 3.972 1.00 0.00 H new ATOM 0 HZ PHE A 44 112.083 -14.827 4.563 1.00 0.00 H new ATOM 701 N ASP A 45 107.000 -13.086 0.840 1.00 0.00 N ATOM 702 CA ASP A 45 107.259 -13.915 -0.371 1.00 0.00 C ATOM 703 C ASP A 45 107.237 -12.983 -1.591 1.00 0.00 C ATOM 704 O ASP A 45 108.017 -13.134 -2.511 1.00 0.00 O ATOM 705 CB ASP A 45 106.102 -14.918 -0.432 1.00 0.00 C ATOM 706 CG ASP A 45 106.402 -16.134 0.450 1.00 0.00 C ATOM 707 OD1 ASP A 45 107.512 -16.230 0.944 1.00 0.00 O ATOM 708 OD2 ASP A 45 105.507 -16.946 0.622 1.00 0.00 O1- ATOM 0 H ASP A 45 106.102 -13.246 1.296 1.00 0.00 H new ATOM 0 HA ASP A 45 108.218 -14.432 -0.349 1.00 0.00 H new ATOM 0 HB2 ASP A 45 105.180 -14.440 -0.101 1.00 0.00 H new ATOM 0 HB3 ASP A 45 105.944 -15.238 -1.462 1.00 0.00 H new ATOM 713 N ARG A 46 106.359 -12.014 -1.603 1.00 0.00 N ATOM 714 CA ARG A 46 106.299 -11.071 -2.761 1.00 0.00 C ATOM 715 C ARG A 46 107.618 -10.307 -2.890 1.00 0.00 C ATOM 716 O ARG A 46 108.137 -10.144 -3.976 1.00 0.00 O ATOM 717 CB ARG A 46 105.152 -10.104 -2.450 1.00 0.00 C ATOM 718 CG ARG A 46 104.954 -9.153 -3.638 1.00 0.00 C ATOM 719 CD ARG A 46 103.782 -8.211 -3.358 1.00 0.00 C ATOM 720 NE ARG A 46 103.580 -7.463 -4.631 1.00 0.00 N ATOM 721 CZ ARG A 46 102.803 -7.956 -5.557 1.00 0.00 C ATOM 722 NH1 ARG A 46 101.530 -7.684 -5.550 1.00 0.00 N ATOM 723 NH2 ARG A 46 103.305 -8.703 -6.497 1.00 0.00 N1+ ATOM 0 H ARG A 46 105.681 -11.834 -0.862 1.00 0.00 H new ATOM 0 HA ARG A 46 106.137 -11.597 -3.702 1.00 0.00 H new ATOM 0 HB2 ARG A 46 104.234 -10.660 -2.258 1.00 0.00 H new ATOM 0 HB3 ARG A 46 105.375 -9.535 -1.547 1.00 0.00 H new ATOM 0 HG2 ARG A 46 105.863 -8.576 -3.809 1.00 0.00 H new ATOM 0 HG3 ARG A 46 104.764 -9.725 -4.546 1.00 0.00 H new ATOM 0 HD2 ARG A 46 102.886 -8.766 -3.079 1.00 0.00 H new ATOM 0 HD3 ARG A 46 104.007 -7.535 -2.533 1.00 0.00 H new ATOM 0 HE ARG A 46 104.047 -6.568 -4.778 1.00 0.00 H new ATOM 0 HH11 ARG A 46 101.140 -7.086 -4.821 1.00 0.00 H new ATOM 0 HH12 ARG A 46 100.922 -8.069 -6.273 1.00 0.00 H new ATOM 0 HH21 ARG A 46 104.305 -8.903 -6.510 1.00 0.00 H new ATOM 0 HH22 ARG A 46 102.698 -9.088 -7.221 1.00 0.00 H new ATOM 737 N ALA A 47 108.173 -9.835 -1.806 1.00 0.00 N ATOM 738 CA ALA A 47 109.457 -9.089 -1.902 1.00 0.00 C ATOM 739 C ALA A 47 110.587 -10.010 -2.385 1.00 0.00 C ATOM 740 O ALA A 47 111.421 -9.608 -3.167 1.00 0.00 O ATOM 741 CB ALA A 47 109.734 -8.567 -0.493 1.00 0.00 C ATOM 0 H ALA A 47 107.794 -9.934 -0.864 1.00 0.00 H new ATOM 0 HA ALA A 47 109.399 -8.274 -2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 47 110.668 -8.006 -0.490 1.00 0.00 H new ATOM 0 HB2 ALA A 47 108.918 -7.915 -0.179 1.00 0.00 H new ATOM 0 HB3 ALA A 47 109.813 -9.407 0.197 1.00 0.00 H new ATOM 747 N MET A 48 110.621 -11.245 -1.946 1.00 0.00 N ATOM 748 CA MET A 48 111.702 -12.165 -2.422 1.00 0.00 C ATOM 749 C MET A 48 111.560 -12.391 -3.931 1.00 0.00 C ATOM 750 O MET A 48 112.530 -12.361 -4.663 1.00 0.00 O ATOM 751 CB MET A 48 111.504 -13.479 -1.656 1.00 0.00 C ATOM 752 CG MET A 48 112.602 -14.474 -2.052 1.00 0.00 C ATOM 753 SD MET A 48 112.391 -16.015 -1.125 1.00 0.00 S ATOM 754 CE MET A 48 110.902 -16.594 -1.976 1.00 0.00 C ATOM 0 H MET A 48 109.957 -11.652 -1.288 1.00 0.00 H new ATOM 0 HA MET A 48 112.696 -11.754 -2.246 1.00 0.00 H new ATOM 0 HB2 MET A 48 111.536 -13.294 -0.582 1.00 0.00 H new ATOM 0 HB3 MET A 48 110.522 -13.897 -1.878 1.00 0.00 H new ATOM 0 HG2 MET A 48 112.557 -14.673 -3.123 1.00 0.00 H new ATOM 0 HG3 MET A 48 113.584 -14.047 -1.848 1.00 0.00 H new ATOM 0 HE1 MET A 48 111.014 -17.648 -2.229 1.00 0.00 H new ATOM 0 HE2 MET A 48 110.038 -16.468 -1.324 1.00 0.00 H new ATOM 0 HE3 MET A 48 110.756 -16.015 -2.888 1.00 0.00 H new ATOM 764 N ASP A 49 110.362 -12.601 -4.404 1.00 0.00 N ATOM 765 CA ASP A 49 110.163 -12.812 -5.868 1.00 0.00 C ATOM 766 C ASP A 49 110.547 -11.545 -6.639 1.00 0.00 C ATOM 767 O ASP A 49 111.253 -11.597 -7.622 1.00 0.00 O ATOM 768 CB ASP A 49 108.676 -13.123 -6.026 1.00 0.00 C ATOM 769 CG ASP A 49 108.386 -13.617 -7.448 1.00 0.00 C ATOM 770 OD1 ASP A 49 109.293 -13.599 -8.267 1.00 0.00 O1- ATOM 771 OD2 ASP A 49 107.259 -14.012 -7.691 1.00 0.00 O ATOM 0 H ASP A 49 109.512 -12.636 -3.841 1.00 0.00 H new ATOM 0 HA ASP A 49 110.784 -13.617 -6.262 1.00 0.00 H new ATOM 0 HB2 ASP A 49 108.377 -13.881 -5.302 1.00 0.00 H new ATOM 0 HB3 ASP A 49 108.086 -12.231 -5.816 1.00 0.00 H new ATOM 776 N VAL A 50 110.107 -10.407 -6.183 1.00 0.00 N ATOM 777 CA VAL A 50 110.472 -9.130 -6.866 1.00 0.00 C ATOM 778 C VAL A 50 111.981 -8.885 -6.721 1.00 0.00 C ATOM 779 O VAL A 50 112.640 -8.483 -7.659 1.00 0.00 O ATOM 780 CB VAL A 50 109.651 -8.040 -6.157 1.00 0.00 C ATOM 781 CG1 VAL A 50 110.114 -6.648 -6.605 1.00 0.00 C ATOM 782 CG2 VAL A 50 108.170 -8.204 -6.513 1.00 0.00 C ATOM 0 H VAL A 50 109.508 -10.303 -5.364 1.00 0.00 H new ATOM 0 HA VAL A 50 110.256 -9.144 -7.934 1.00 0.00 H new ATOM 0 HB VAL A 50 109.794 -8.140 -5.081 1.00 0.00 H new ATOM 0 HG11 VAL A 50 109.524 -5.887 -6.095 1.00 0.00 H new ATOM 0 HG12 VAL A 50 111.167 -6.518 -6.357 1.00 0.00 H new ATOM 0 HG13 VAL A 50 109.980 -6.549 -7.682 1.00 0.00 H new ATOM 0 HG21 VAL A 50 107.587 -7.432 -6.011 1.00 0.00 H new ATOM 0 HG22 VAL A 50 108.043 -8.111 -7.592 1.00 0.00 H new ATOM 0 HG23 VAL A 50 107.825 -9.186 -6.190 1.00 0.00 H new ATOM 792 N PHE A 51 112.535 -9.118 -5.566 1.00 0.00 N ATOM 793 CA PHE A 51 114.000 -8.888 -5.391 1.00 0.00 C ATOM 794 C PHE A 51 114.779 -9.757 -6.379 1.00 0.00 C ATOM 795 O PHE A 51 115.675 -9.291 -7.055 1.00 0.00 O ATOM 796 CB PHE A 51 114.307 -9.326 -3.956 1.00 0.00 C ATOM 797 CG PHE A 51 115.769 -9.079 -3.666 1.00 0.00 C ATOM 798 CD1 PHE A 51 116.271 -7.773 -3.678 1.00 0.00 C ATOM 799 CD2 PHE A 51 116.626 -10.154 -3.403 1.00 0.00 C ATOM 800 CE1 PHE A 51 117.628 -7.542 -3.426 1.00 0.00 C ATOM 801 CE2 PHE A 51 117.983 -9.924 -3.155 1.00 0.00 C ATOM 802 CZ PHE A 51 118.484 -8.617 -3.166 1.00 0.00 C ATOM 0 H PHE A 51 112.043 -9.456 -4.739 1.00 0.00 H new ATOM 0 HA PHE A 51 114.279 -7.850 -5.570 1.00 0.00 H new ATOM 0 HB2 PHE A 51 113.685 -8.772 -3.253 1.00 0.00 H new ATOM 0 HB3 PHE A 51 114.071 -10.382 -3.827 1.00 0.00 H new ATOM 0 HD1 PHE A 51 115.611 -6.943 -3.882 1.00 0.00 H new ATOM 0 HD2 PHE A 51 116.239 -11.162 -3.392 1.00 0.00 H new ATOM 0 HE1 PHE A 51 118.014 -6.533 -3.432 1.00 0.00 H new ATOM 0 HE2 PHE A 51 118.644 -10.754 -2.955 1.00 0.00 H new ATOM 0 HZ PHE A 51 119.532 -8.439 -2.974 1.00 0.00 H new ATOM 812 N HIS A 52 114.441 -11.008 -6.478 1.00 0.00 N ATOM 813 CA HIS A 52 115.156 -11.902 -7.433 1.00 0.00 C ATOM 814 C HIS A 52 114.696 -11.630 -8.876 1.00 0.00 C ATOM 815 O HIS A 52 115.487 -11.645 -9.798 1.00 0.00 O ATOM 816 CB HIS A 52 114.783 -13.317 -6.988 1.00 0.00 C ATOM 817 CG HIS A 52 115.493 -13.656 -5.700 1.00 0.00 C ATOM 818 ND1 HIS A 52 115.352 -13.180 -4.417 1.00 0.00 N flip ATOM 819 CD2 HIS A 52 116.499 -14.612 -5.638 1.00 0.00 C flip ATOM 820 CE1 HIS A 52 116.251 -13.829 -3.574 1.00 0.00 C flip ATOM 821 NE2 HIS A 52 116.916 -14.680 -4.360 1.00 0.00 N flip ATOM 0 H HIS A 52 113.699 -11.454 -5.939 1.00 0.00 H new ATOM 0 HA HIS A 52 116.235 -11.745 -7.426 1.00 0.00 H new ATOM 0 HB2 HIS A 52 113.704 -13.391 -6.849 1.00 0.00 H new ATOM 0 HB3 HIS A 52 115.055 -14.034 -7.762 1.00 0.00 H new ATOM 0 HD1 HIS A 52 114.689 -12.461 -4.127 1.00 0.00 H new ATOM 0 HD2 HIS A 52 116.878 -15.195 -6.465 1.00 0.00 H new ATOM 0 HE1 HIS A 52 116.382 -13.677 -2.513 1.00 0.00 H new ATOM 829 N ASN A 53 113.430 -11.378 -9.077 1.00 0.00 N ATOM 830 CA ASN A 53 112.927 -11.108 -10.460 1.00 0.00 C ATOM 831 C ASN A 53 113.624 -9.870 -11.037 1.00 0.00 C ATOM 832 O ASN A 53 113.973 -9.837 -12.200 1.00 0.00 O ATOM 833 CB ASN A 53 111.425 -10.871 -10.304 1.00 0.00 C ATOM 834 CG ASN A 53 110.803 -10.581 -11.672 1.00 0.00 C ATOM 835 OD1 ASN A 53 111.217 -11.132 -12.672 1.00 0.00 O ATOM 836 ND2 ASN A 53 109.817 -9.728 -11.760 1.00 0.00 N ATOM 0 H ASN A 53 112.721 -11.347 -8.345 1.00 0.00 H new ATOM 0 HA ASN A 53 113.129 -11.932 -11.145 1.00 0.00 H new ATOM 0 HB2 ASN A 53 110.953 -11.747 -9.858 1.00 0.00 H new ATOM 0 HB3 ASN A 53 111.247 -10.034 -9.628 1.00 0.00 H new ATOM 0 HD21 ASN A 53 109.397 -9.526 -12.667 1.00 0.00 H new ATOM 0 HD22 ASN A 53 109.468 -9.264 -10.921 1.00 0.00 H new ATOM 843 N LEU A 54 113.864 -8.864 -10.231 1.00 0.00 N ATOM 844 CA LEU A 54 114.580 -7.660 -10.754 1.00 0.00 C ATOM 845 C LEU A 54 116.094 -7.910 -10.780 1.00 0.00 C ATOM 846 O LEU A 54 116.858 -7.013 -11.072 1.00 0.00 O ATOM 847 CB LEU A 54 114.269 -6.514 -9.790 1.00 0.00 C ATOM 848 CG LEU A 54 112.768 -6.240 -9.779 1.00 0.00 C ATOM 849 CD1 LEU A 54 112.461 -5.092 -8.813 1.00 0.00 C ATOM 850 CD2 LEU A 54 112.311 -5.859 -11.188 1.00 0.00 C ATOM 0 H LEU A 54 113.599 -8.824 -9.247 1.00 0.00 H new ATOM 0 HA LEU A 54 114.259 -7.429 -11.770 1.00 0.00 H new ATOM 0 HB2 LEU A 54 114.609 -6.769 -8.786 1.00 0.00 H new ATOM 0 HB3 LEU A 54 114.809 -5.617 -10.091 1.00 0.00 H new ATOM 0 HG LEU A 54 112.238 -7.135 -9.454 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.388 -4.898 -8.807 1.00 0.00 H new ATOM 0 HD12 LEU A 54 112.786 -5.365 -7.809 1.00 0.00 H new ATOM 0 HD13 LEU A 54 112.990 -4.195 -9.134 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.239 -5.663 -11.182 1.00 0.00 H new ATOM 0 HD22 LEU A 54 112.842 -4.964 -11.513 1.00 0.00 H new ATOM 0 HD23 LEU A 54 112.526 -6.678 -11.874 1.00 0.00 H new ATOM 862 N LYS A 55 116.532 -9.111 -10.469 1.00 0.00 N ATOM 863 CA LYS A 55 117.980 -9.418 -10.475 1.00 0.00 C ATOM 864 C LYS A 55 118.750 -8.479 -9.552 1.00 0.00 C ATOM 865 O LYS A 55 119.907 -8.195 -9.780 1.00 0.00 O ATOM 866 CB LYS A 55 118.418 -9.264 -11.930 1.00 0.00 C ATOM 867 CG LYS A 55 117.924 -10.464 -12.728 1.00 0.00 C ATOM 868 CD LYS A 55 118.284 -10.271 -14.197 1.00 0.00 C ATOM 869 CE LYS A 55 117.819 -11.486 -14.998 1.00 0.00 C ATOM 870 NZ LYS A 55 118.186 -11.173 -16.405 1.00 0.00 N1+ ATOM 0 H LYS A 55 115.931 -9.893 -10.210 1.00 0.00 H new ATOM 0 HA LYS A 55 118.183 -10.422 -10.102 1.00 0.00 H new ATOM 0 HB2 LYS A 55 118.015 -8.342 -12.349 1.00 0.00 H new ATOM 0 HB3 LYS A 55 119.504 -9.193 -11.990 1.00 0.00 H new ATOM 0 HG2 LYS A 55 118.376 -11.380 -12.348 1.00 0.00 H new ATOM 0 HG3 LYS A 55 116.845 -10.571 -12.617 1.00 0.00 H new ATOM 0 HD2 LYS A 55 117.814 -9.366 -14.582 1.00 0.00 H new ATOM 0 HD3 LYS A 55 119.361 -10.141 -14.305 1.00 0.00 H new ATOM 0 HE2 LYS A 55 118.308 -12.398 -14.655 1.00 0.00 H new ATOM 0 HE3 LYS A 55 116.745 -11.642 -14.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 117.900 -11.960 -17.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 117.701 -10.304 -16.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 119.215 -11.036 -16.473 1.00 0.00 H new ATOM 884 N MET A 56 118.129 -8.017 -8.493 1.00 0.00 N ATOM 885 CA MET A 56 118.860 -7.122 -7.548 1.00 0.00 C ATOM 886 C MET A 56 120.006 -7.904 -6.877 1.00 0.00 C ATOM 887 O MET A 56 120.882 -7.322 -6.272 1.00 0.00 O ATOM 888 CB MET A 56 117.829 -6.660 -6.520 1.00 0.00 C ATOM 889 CG MET A 56 116.803 -5.736 -7.186 1.00 0.00 C ATOM 890 SD MET A 56 115.503 -5.321 -5.992 1.00 0.00 S ATOM 891 CE MET A 56 116.512 -4.285 -4.905 1.00 0.00 C ATOM 0 H MET A 56 117.160 -8.219 -8.246 1.00 0.00 H new ATOM 0 HA MET A 56 119.308 -6.266 -8.054 1.00 0.00 H new ATOM 0 HB2 MET A 56 117.325 -7.523 -6.085 1.00 0.00 H new ATOM 0 HB3 MET A 56 118.326 -6.136 -5.704 1.00 0.00 H new ATOM 0 HG2 MET A 56 117.291 -4.828 -7.540 1.00 0.00 H new ATOM 0 HG3 MET A 56 116.369 -6.225 -8.058 1.00 0.00 H new ATOM 0 HE1 MET A 56 116.714 -4.820 -3.977 1.00 0.00 H new ATOM 0 HE2 MET A 56 117.454 -4.048 -5.400 1.00 0.00 H new ATOM 0 HE3 MET A 56 115.977 -3.362 -4.683 1.00 0.00 H new ATOM 901 N ASP A 57 120.033 -9.208 -7.009 1.00 0.00 N ATOM 902 CA ASP A 57 121.159 -9.988 -6.417 1.00 0.00 C ATOM 903 C ASP A 57 122.405 -9.893 -7.330 1.00 0.00 C ATOM 904 O ASP A 57 123.427 -10.480 -7.046 1.00 0.00 O ATOM 905 CB ASP A 57 120.661 -11.434 -6.320 1.00 0.00 C ATOM 906 CG ASP A 57 120.183 -11.924 -7.691 1.00 0.00 C ATOM 907 OD1 ASP A 57 120.609 -11.358 -8.683 1.00 0.00 O ATOM 908 OD2 ASP A 57 119.388 -12.849 -7.720 1.00 0.00 O1- ATOM 0 H ASP A 57 119.329 -9.761 -7.498 1.00 0.00 H new ATOM 0 HA ASP A 57 121.450 -9.607 -5.438 1.00 0.00 H new ATOM 0 HB2 ASP A 57 121.461 -12.078 -5.955 1.00 0.00 H new ATOM 0 HB3 ASP A 57 119.846 -11.498 -5.599 1.00 0.00 H new ATOM 913 N ASN A 58 122.324 -9.149 -8.414 1.00 0.00 N ATOM 914 CA ASN A 58 123.487 -8.995 -9.324 1.00 0.00 C ATOM 915 C ASN A 58 124.527 -8.070 -8.689 1.00 0.00 C ATOM 916 O ASN A 58 124.829 -7.014 -9.207 1.00 0.00 O ATOM 917 CB ASN A 58 122.899 -8.351 -10.586 1.00 0.00 C ATOM 918 CG ASN A 58 123.977 -8.272 -11.666 1.00 0.00 C ATOM 919 OD1 ASN A 58 125.150 -8.390 -11.375 1.00 0.00 O ATOM 920 ND2 ASN A 58 123.628 -8.077 -12.908 1.00 0.00 N ATOM 0 H ASN A 58 121.488 -8.641 -8.701 1.00 0.00 H new ATOM 0 HA ASN A 58 123.987 -9.940 -9.535 1.00 0.00 H new ATOM 0 HB2 ASN A 58 122.052 -8.935 -10.945 1.00 0.00 H new ATOM 0 HB3 ASN A 58 122.524 -7.353 -10.357 1.00 0.00 H new ATOM 0 HD21 ASN A 58 124.341 -8.024 -13.636 1.00 0.00 H new ATOM 0 HD22 ASN A 58 122.642 -7.978 -13.151 1.00 0.00 H new ATOM 927 N THR A 59 125.100 -8.470 -7.585 1.00 0.00 N ATOM 928 CA THR A 59 126.147 -7.623 -6.944 1.00 0.00 C ATOM 929 C THR A 59 127.333 -8.492 -6.539 1.00 0.00 C ATOM 930 O THR A 59 127.200 -9.663 -6.243 1.00 0.00 O ATOM 931 CB THR A 59 125.500 -6.978 -5.718 1.00 0.00 C ATOM 932 OG1 THR A 59 125.076 -7.989 -4.815 1.00 0.00 O ATOM 933 CG2 THR A 59 124.301 -6.138 -6.152 1.00 0.00 C ATOM 0 H THR A 59 124.889 -9.343 -7.101 1.00 0.00 H new ATOM 0 HA THR A 59 126.518 -6.858 -7.626 1.00 0.00 H new ATOM 0 HB THR A 59 126.227 -6.335 -5.222 1.00 0.00 H new ATOM 0 HG1 THR A 59 124.663 -7.574 -4.029 1.00 0.00 H new ATOM 0 HG21 THR A 59 123.842 -5.680 -5.276 1.00 0.00 H new ATOM 0 HG22 THR A 59 124.632 -5.358 -6.838 1.00 0.00 H new ATOM 0 HG23 THR A 59 123.572 -6.776 -6.652 1.00 0.00 H new ATOM 941 N LYS A 60 128.497 -7.920 -6.560 1.00 0.00 N ATOM 942 CA LYS A 60 129.723 -8.687 -6.218 1.00 0.00 C ATOM 943 C LYS A 60 129.743 -9.163 -4.762 1.00 0.00 C ATOM 944 O LYS A 60 130.094 -10.292 -4.483 1.00 0.00 O ATOM 945 CB LYS A 60 130.864 -7.712 -6.471 1.00 0.00 C ATOM 946 CG LYS A 60 131.005 -7.483 -7.974 1.00 0.00 C ATOM 947 CD LYS A 60 132.178 -6.540 -8.224 1.00 0.00 C ATOM 948 CE LYS A 60 132.362 -6.318 -9.728 1.00 0.00 C ATOM 949 NZ LYS A 60 133.516 -5.374 -9.844 1.00 0.00 N1+ ATOM 0 H LYS A 60 128.656 -6.942 -6.802 1.00 0.00 H new ATOM 0 HA LYS A 60 129.790 -9.597 -6.814 1.00 0.00 H new ATOM 0 HB2 LYS A 60 130.670 -6.767 -5.964 1.00 0.00 H new ATOM 0 HB3 LYS A 60 131.794 -8.108 -6.063 1.00 0.00 H new ATOM 0 HG2 LYS A 60 131.168 -8.431 -8.486 1.00 0.00 H new ATOM 0 HG3 LYS A 60 130.087 -7.057 -8.378 1.00 0.00 H new ATOM 0 HD2 LYS A 60 132.001 -5.586 -7.727 1.00 0.00 H new ATOM 0 HD3 LYS A 60 133.089 -6.958 -7.796 1.00 0.00 H new ATOM 0 HE2 LYS A 60 132.567 -7.257 -10.243 1.00 0.00 H new ATOM 0 HE3 LYS A 60 131.462 -5.898 -10.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 133.702 -5.175 -10.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 133.290 -4.487 -9.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 134.360 -5.803 -9.414 1.00 0.00 H new ATOM 963 N LEU A 61 129.373 -8.325 -3.830 1.00 0.00 N ATOM 964 CA LEU A 61 129.386 -8.765 -2.403 1.00 0.00 C ATOM 965 C LEU A 61 127.995 -9.251 -1.963 1.00 0.00 C ATOM 966 O LEU A 61 127.807 -9.635 -0.826 1.00 0.00 O ATOM 967 CB LEU A 61 129.799 -7.536 -1.589 1.00 0.00 C ATOM 968 CG LEU A 61 131.189 -7.051 -2.014 1.00 0.00 C ATOM 969 CD1 LEU A 61 131.479 -5.707 -1.337 1.00 0.00 C ATOM 970 CD2 LEU A 61 132.252 -8.072 -1.591 1.00 0.00 C ATOM 0 H LEU A 61 129.066 -7.366 -3.991 1.00 0.00 H new ATOM 0 HA LEU A 61 130.073 -9.599 -2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 61 129.070 -6.738 -1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 61 129.802 -7.781 -0.527 1.00 0.00 H new ATOM 0 HG LEU A 61 131.216 -6.936 -3.098 1.00 0.00 H new ATOM 0 HD11 LEU A 61 132.467 -5.355 -1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 61 130.728 -4.978 -1.640 1.00 0.00 H new ATOM 0 HD13 LEU A 61 131.449 -5.831 -0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 61 133.237 -7.720 -1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 61 132.230 -8.193 -0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 61 132.046 -9.031 -2.067 1.00 0.00 H new ATOM 982 N GLN A 62 127.023 -9.240 -2.847 1.00 0.00 N ATOM 983 CA GLN A 62 125.656 -9.716 -2.485 1.00 0.00 C ATOM 984 C GLN A 62 125.093 -8.961 -1.274 1.00 0.00 C ATOM 985 O GLN A 62 124.412 -9.504 -0.432 1.00 0.00 O ATOM 986 CB GLN A 62 125.828 -11.210 -2.187 1.00 0.00 C ATOM 987 CG GLN A 62 126.145 -11.947 -3.495 1.00 0.00 C ATOM 988 CD GLN A 62 126.370 -13.436 -3.215 1.00 0.00 C ATOM 989 OE1 GLN A 62 126.962 -13.798 -2.218 1.00 0.00 O ATOM 990 NE2 GLN A 62 125.915 -14.321 -4.061 1.00 0.00 N ATOM 0 H GLN A 62 127.123 -8.918 -3.810 1.00 0.00 H new ATOM 0 HA GLN A 62 124.940 -9.539 -3.287 1.00 0.00 H new ATOM 0 HB2 GLN A 62 126.632 -11.360 -1.466 1.00 0.00 H new ATOM 0 HB3 GLN A 62 124.919 -11.612 -1.739 1.00 0.00 H new ATOM 0 HG2 GLN A 62 125.324 -11.821 -4.201 1.00 0.00 H new ATOM 0 HG3 GLN A 62 127.033 -11.517 -3.958 1.00 0.00 H new ATOM 0 HE21 GLN A 62 125.418 -14.018 -4.898 1.00 0.00 H new ATOM 0 HE22 GLN A 62 126.057 -15.316 -3.884 1.00 0.00 H new ATOM 999 N ASN A 63 125.370 -7.687 -1.234 1.00 0.00 N ATOM 1000 CA ASN A 63 124.878 -6.792 -0.142 1.00 0.00 C ATOM 1001 C ASN A 63 123.824 -5.826 -0.695 1.00 0.00 C ATOM 1002 O ASN A 63 123.919 -4.626 -0.536 1.00 0.00 O ATOM 1003 CB ASN A 63 126.121 -6.021 0.316 1.00 0.00 C ATOM 1004 CG ASN A 63 127.086 -6.974 1.024 1.00 0.00 C ATOM 1005 OD1 ASN A 63 126.686 -8.004 1.529 1.00 0.00 O ATOM 1006 ND2 ASN A 63 128.355 -6.671 1.075 1.00 0.00 N ATOM 0 H ASN A 63 125.936 -7.212 -1.937 1.00 0.00 H new ATOM 0 HA ASN A 63 124.412 -7.343 0.675 1.00 0.00 H new ATOM 0 HB2 ASN A 63 126.612 -5.561 -0.542 1.00 0.00 H new ATOM 0 HB3 ASN A 63 125.833 -5.213 0.989 1.00 0.00 H new ATOM 0 HD21 ASN A 63 129.011 -7.299 1.539 1.00 0.00 H new ATOM 0 HD22 ASN A 63 128.690 -5.806 0.651 1.00 0.00 H new ATOM 1013 N GLY A 64 122.802 -6.351 -1.323 1.00 0.00 N ATOM 1014 CA GLY A 64 121.723 -5.474 -1.869 1.00 0.00 C ATOM 1015 C GLY A 64 120.519 -5.498 -0.921 1.00 0.00 C ATOM 1016 O GLY A 64 120.142 -6.532 -0.409 1.00 0.00 O ATOM 0 H GLY A 64 122.669 -7.350 -1.481 1.00 0.00 H new ATOM 0 HA2 GLY A 64 122.091 -4.454 -1.982 1.00 0.00 H new ATOM 0 HA3 GLY A 64 121.426 -5.818 -2.860 1.00 0.00 H new ATOM 1020 N VAL A 65 119.907 -4.367 -0.685 1.00 0.00 N ATOM 1021 CA VAL A 65 118.727 -4.347 0.229 1.00 0.00 C ATOM 1022 C VAL A 65 117.495 -3.792 -0.501 1.00 0.00 C ATOM 1023 O VAL A 65 117.561 -2.806 -1.205 1.00 0.00 O ATOM 1024 CB VAL A 65 119.144 -3.468 1.418 1.00 0.00 C ATOM 1025 CG1 VAL A 65 117.929 -3.145 2.302 1.00 0.00 C ATOM 1026 CG2 VAL A 65 120.175 -4.225 2.256 1.00 0.00 C ATOM 0 H VAL A 65 120.170 -3.465 -1.081 1.00 0.00 H new ATOM 0 HA VAL A 65 118.446 -5.344 0.569 1.00 0.00 H new ATOM 0 HB VAL A 65 119.565 -2.537 1.039 1.00 0.00 H new ATOM 0 HG11 VAL A 65 118.243 -2.522 3.139 1.00 0.00 H new ATOM 0 HG12 VAL A 65 117.182 -2.612 1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 65 117.498 -4.072 2.681 1.00 0.00 H new ATOM 0 HG21 VAL A 65 120.478 -3.610 3.103 1.00 0.00 H new ATOM 0 HG22 VAL A 65 119.736 -5.154 2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 65 121.047 -4.452 1.642 1.00 0.00 H new ATOM 1036 N LEU A 66 116.377 -4.455 -0.337 1.00 0.00 N ATOM 1037 CA LEU A 66 115.121 -4.019 -1.016 1.00 0.00 C ATOM 1038 C LEU A 66 114.052 -3.642 0.017 1.00 0.00 C ATOM 1039 O LEU A 66 113.756 -4.401 0.920 1.00 0.00 O ATOM 1040 CB LEU A 66 114.666 -5.267 -1.777 1.00 0.00 C ATOM 1041 CG LEU A 66 113.344 -4.981 -2.489 1.00 0.00 C ATOM 1042 CD1 LEU A 66 113.532 -3.836 -3.486 1.00 0.00 C ATOM 1043 CD2 LEU A 66 112.888 -6.235 -3.235 1.00 0.00 C ATOM 0 H LEU A 66 116.282 -5.288 0.244 1.00 0.00 H new ATOM 0 HA LEU A 66 115.276 -3.149 -1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 66 115.425 -5.560 -2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 66 114.546 -6.102 -1.087 1.00 0.00 H new ATOM 0 HG LEU A 66 112.591 -4.698 -1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 66 112.587 -3.635 -3.992 1.00 0.00 H new ATOM 0 HD12 LEU A 66 113.857 -2.941 -2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 66 114.286 -4.115 -4.222 1.00 0.00 H new ATOM 0 HD21 LEU A 66 111.945 -6.033 -3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 66 113.643 -6.517 -3.969 1.00 0.00 H new ATOM 0 HD23 LEU A 66 112.750 -7.051 -2.525 1.00 0.00 H new ATOM 1055 N ILE A 67 113.458 -2.485 -0.118 1.00 0.00 N ATOM 1056 CA ILE A 67 112.402 -2.094 0.864 1.00 0.00 C ATOM 1057 C ILE A 67 111.028 -2.089 0.182 1.00 0.00 C ATOM 1058 O ILE A 67 110.719 -1.224 -0.609 1.00 0.00 O ATOM 1059 CB ILE A 67 112.797 -0.695 1.356 1.00 0.00 C ATOM 1060 CG1 ILE A 67 114.157 -0.763 2.060 1.00 0.00 C ATOM 1061 CG2 ILE A 67 111.746 -0.172 2.338 1.00 0.00 C ATOM 1062 CD1 ILE A 67 114.662 0.656 2.336 1.00 0.00 C ATOM 0 H ILE A 67 113.653 -1.804 -0.852 1.00 0.00 H new ATOM 0 HA ILE A 67 112.329 -2.792 1.698 1.00 0.00 H new ATOM 0 HB ILE A 67 112.859 -0.022 0.501 1.00 0.00 H new ATOM 0 HG12 ILE A 67 114.067 -1.316 2.995 1.00 0.00 H new ATOM 0 HG13 ILE A 67 114.873 -1.301 1.439 1.00 0.00 H new ATOM 0 HG21 ILE A 67 112.033 0.821 2.683 1.00 0.00 H new ATOM 0 HG22 ILE A 67 110.778 -0.118 1.840 1.00 0.00 H new ATOM 0 HG23 ILE A 67 111.678 -0.847 3.191 1.00 0.00 H new ATOM 0 HD11 ILE A 67 115.629 0.607 2.837 1.00 0.00 H new ATOM 0 HD12 ILE A 67 114.768 1.194 1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 67 113.949 1.178 2.974 1.00 0.00 H new ATOM 1074 N TYR A 68 110.201 -3.053 0.485 1.00 0.00 N ATOM 1075 CA TYR A 68 108.851 -3.109 -0.146 1.00 0.00 C ATOM 1076 C TYR A 68 107.838 -2.394 0.749 1.00 0.00 C ATOM 1077 O TYR A 68 107.682 -2.711 1.911 1.00 0.00 O ATOM 1078 CB TYR A 68 108.541 -4.607 -0.242 1.00 0.00 C ATOM 1079 CG TYR A 68 107.184 -4.817 -0.870 1.00 0.00 C ATOM 1080 CD1 TYR A 68 106.037 -4.836 -0.067 1.00 0.00 C ATOM 1081 CD2 TYR A 68 107.073 -4.990 -2.254 1.00 0.00 C ATOM 1082 CE1 TYR A 68 104.778 -5.028 -0.649 1.00 0.00 C ATOM 1083 CE2 TYR A 68 105.814 -5.179 -2.836 1.00 0.00 C ATOM 1084 CZ TYR A 68 104.668 -5.198 -2.034 1.00 0.00 C ATOM 1085 OH TYR A 68 103.427 -5.380 -2.609 1.00 0.00 O ATOM 0 H TYR A 68 110.402 -3.805 1.143 1.00 0.00 H new ATOM 0 HA TYR A 68 108.809 -2.622 -1.120 1.00 0.00 H new ATOM 0 HB2 TYR A 68 109.306 -5.107 -0.835 1.00 0.00 H new ATOM 0 HB3 TYR A 68 108.564 -5.055 0.751 1.00 0.00 H new ATOM 0 HD1 TYR A 68 106.123 -4.703 1.001 1.00 0.00 H new ATOM 0 HD2 TYR A 68 107.958 -4.978 -2.873 1.00 0.00 H new ATOM 0 HE1 TYR A 68 103.893 -5.045 -0.030 1.00 0.00 H new ATOM 0 HE2 TYR A 68 105.727 -5.310 -3.904 1.00 0.00 H new ATOM 0 HH TYR A 68 102.848 -5.872 -1.989 1.00 0.00 H new ATOM 1095 N VAL A 69 107.170 -1.409 0.218 1.00 0.00 N ATOM 1096 CA VAL A 69 106.191 -0.645 1.035 1.00 0.00 C ATOM 1097 C VAL A 69 104.785 -0.722 0.428 1.00 0.00 C ATOM 1098 O VAL A 69 104.568 -0.469 -0.742 1.00 0.00 O ATOM 1099 CB VAL A 69 106.742 0.796 1.038 1.00 0.00 C ATOM 1100 CG1 VAL A 69 105.686 1.789 1.557 1.00 0.00 C ATOM 1101 CG2 VAL A 69 107.968 0.854 1.958 1.00 0.00 C ATOM 0 H VAL A 69 107.261 -1.100 -0.750 1.00 0.00 H new ATOM 0 HA VAL A 69 106.085 -1.041 2.045 1.00 0.00 H new ATOM 0 HB VAL A 69 107.008 1.070 0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 69 106.100 2.797 1.549 1.00 0.00 H new ATOM 0 HG12 VAL A 69 104.806 1.753 0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 69 105.404 1.521 2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 69 108.367 1.868 1.969 1.00 0.00 H new ATOM 0 HG22 VAL A 69 107.678 0.567 2.969 1.00 0.00 H new ATOM 0 HG23 VAL A 69 108.731 0.168 1.591 1.00 0.00 H new ATOM 1111 N ALA A 70 103.832 -1.039 1.258 1.00 0.00 N ATOM 1112 CA ALA A 70 102.415 -1.114 0.819 1.00 0.00 C ATOM 1113 C ALA A 70 101.679 0.144 1.284 1.00 0.00 C ATOM 1114 O ALA A 70 101.223 0.227 2.406 1.00 0.00 O ATOM 1115 CB ALA A 70 101.862 -2.341 1.538 1.00 0.00 C ATOM 0 H ALA A 70 103.981 -1.254 2.244 1.00 0.00 H new ATOM 0 HA ALA A 70 102.303 -1.183 -0.263 1.00 0.00 H new ATOM 0 HB1 ALA A 70 100.814 -2.476 1.273 1.00 0.00 H new ATOM 0 HB2 ALA A 70 102.429 -3.223 1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 70 101.948 -2.201 2.616 1.00 0.00 H new ATOM 1121 N VAL A 71 101.583 1.132 0.446 1.00 0.00 N ATOM 1122 CA VAL A 71 100.895 2.393 0.861 1.00 0.00 C ATOM 1123 C VAL A 71 99.413 2.145 1.156 1.00 0.00 C ATOM 1124 O VAL A 71 98.783 2.925 1.847 1.00 0.00 O ATOM 1125 CB VAL A 71 101.062 3.356 -0.312 1.00 0.00 C ATOM 1126 CG1 VAL A 71 102.551 3.606 -0.545 1.00 0.00 C ATOM 1127 CG2 VAL A 71 100.441 2.739 -1.565 1.00 0.00 C ATOM 0 H VAL A 71 101.948 1.127 -0.507 1.00 0.00 H new ATOM 0 HA VAL A 71 101.323 2.796 1.779 1.00 0.00 H new ATOM 0 HB VAL A 71 100.564 4.300 -0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 71 102.678 4.293 -1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 71 102.992 4.041 0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 71 103.047 2.662 -0.772 1.00 0.00 H new ATOM 0 HG21 VAL A 71 100.559 3.424 -2.405 1.00 0.00 H new ATOM 0 HG22 VAL A 71 100.940 1.797 -1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 71 99.381 2.555 -1.393 1.00 0.00 H new ATOM 1137 N GLU A 72 98.847 1.070 0.670 1.00 0.00 N ATOM 1138 CA GLU A 72 97.411 0.803 0.972 1.00 0.00 C ATOM 1139 C GLU A 72 97.251 0.480 2.456 1.00 0.00 C ATOM 1140 O GLU A 72 96.347 0.961 3.109 1.00 0.00 O ATOM 1141 CB GLU A 72 97.048 -0.395 0.110 1.00 0.00 C ATOM 1142 CG GLU A 72 97.079 0.040 -1.353 1.00 0.00 C ATOM 1143 CD GLU A 72 96.000 1.100 -1.588 1.00 0.00 C ATOM 1144 OE1 GLU A 72 95.068 1.157 -0.800 1.00 0.00 O1- ATOM 1145 OE2 GLU A 72 96.125 1.839 -2.549 1.00 0.00 O ATOM 0 H GLU A 72 99.310 0.375 0.085 1.00 0.00 H new ATOM 0 HA GLU A 72 96.767 1.657 0.762 1.00 0.00 H new ATOM 0 HB2 GLU A 72 97.751 -1.211 0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 72 96.058 -0.767 0.375 1.00 0.00 H new ATOM 0 HG2 GLU A 72 98.061 0.442 -1.604 1.00 0.00 H new ATOM 0 HG3 GLU A 72 96.910 -0.818 -2.003 1.00 0.00 H new ATOM 1152 N ASP A 73 98.128 -0.316 2.997 1.00 0.00 N ATOM 1153 CA ASP A 73 98.027 -0.648 4.444 1.00 0.00 C ATOM 1154 C ASP A 73 99.067 0.154 5.258 1.00 0.00 C ATOM 1155 O ASP A 73 99.217 -0.046 6.448 1.00 0.00 O ATOM 1156 CB ASP A 73 98.294 -2.155 4.520 1.00 0.00 C ATOM 1157 CG ASP A 73 99.658 -2.487 3.906 1.00 0.00 C ATOM 1158 OD1 ASP A 73 100.497 -1.602 3.842 1.00 0.00 O1- ATOM 1159 OD2 ASP A 73 99.847 -3.629 3.523 1.00 0.00 O ATOM 0 H ASP A 73 98.908 -0.750 2.503 1.00 0.00 H new ATOM 0 HA ASP A 73 97.055 -0.392 4.865 1.00 0.00 H new ATOM 0 HB2 ASP A 73 98.266 -2.484 5.559 1.00 0.00 H new ATOM 0 HB3 ASP A 73 97.509 -2.697 3.993 1.00 0.00 H new ATOM 1164 N LYS A 74 99.782 1.062 4.628 1.00 0.00 N ATOM 1165 CA LYS A 74 100.798 1.873 5.358 1.00 0.00 C ATOM 1166 C LYS A 74 101.796 0.978 6.095 1.00 0.00 C ATOM 1167 O LYS A 74 102.062 1.165 7.264 1.00 0.00 O ATOM 1168 CB LYS A 74 100.003 2.719 6.350 1.00 0.00 C ATOM 1169 CG LYS A 74 100.629 4.115 6.436 1.00 0.00 C ATOM 1170 CD LYS A 74 99.753 5.020 7.309 1.00 0.00 C ATOM 1171 CE LYS A 74 100.378 6.416 7.402 1.00 0.00 C ATOM 1172 NZ LYS A 74 99.440 7.207 8.247 1.00 0.00 N1+ ATOM 0 H LYS A 74 99.700 1.272 3.633 1.00 0.00 H new ATOM 0 HA LYS A 74 101.384 2.486 4.674 1.00 0.00 H new ATOM 0 HB2 LYS A 74 98.963 2.793 6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 74 100.003 2.246 7.332 1.00 0.00 H new ATOM 0 HG2 LYS A 74 101.633 4.049 6.856 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.729 4.542 5.438 1.00 0.00 H new ATOM 0 HD2 LYS A 74 98.750 5.088 6.887 1.00 0.00 H new ATOM 0 HD3 LYS A 74 99.651 4.590 8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 74 101.371 6.374 7.849 1.00 0.00 H new ATOM 0 HE3 LYS A 74 100.492 6.863 6.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 99.528 8.216 8.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 98.464 6.894 8.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 99.672 7.064 9.251 1.00 0.00 H new ATOM 1186 N THR A 75 102.355 0.012 5.423 1.00 0.00 N ATOM 1187 CA THR A 75 103.341 -0.886 6.088 1.00 0.00 C ATOM 1188 C THR A 75 104.641 -0.924 5.279 1.00 0.00 C ATOM 1189 O THR A 75 104.697 -0.472 4.152 1.00 0.00 O ATOM 1190 CB THR A 75 102.687 -2.271 6.121 1.00 0.00 C ATOM 1191 OG1 THR A 75 102.485 -2.736 4.798 1.00 0.00 O ATOM 1192 CG2 THR A 75 101.345 -2.198 6.857 1.00 0.00 C ATOM 0 H THR A 75 102.172 -0.196 4.441 1.00 0.00 H new ATOM 0 HA THR A 75 103.593 -0.543 7.091 1.00 0.00 H new ATOM 0 HB THR A 75 103.344 -2.963 6.648 1.00 0.00 H new ATOM 0 HG1 THR A 75 101.943 -2.087 4.302 1.00 0.00 H new ATOM 0 HG21 THR A 75 100.886 -3.187 6.876 1.00 0.00 H new ATOM 0 HG22 THR A 75 101.508 -1.854 7.878 1.00 0.00 H new ATOM 0 HG23 THR A 75 100.684 -1.501 6.341 1.00 0.00 H new ATOM 1200 N PHE A 76 105.683 -1.453 5.850 1.00 0.00 N ATOM 1201 CA PHE A 76 106.982 -1.523 5.129 1.00 0.00 C ATOM 1202 C PHE A 76 107.675 -2.855 5.433 1.00 0.00 C ATOM 1203 O PHE A 76 107.598 -3.373 6.530 1.00 0.00 O ATOM 1204 CB PHE A 76 107.791 -0.346 5.686 1.00 0.00 C ATOM 1205 CG PHE A 76 108.047 -0.542 7.165 1.00 0.00 C ATOM 1206 CD1 PHE A 76 107.122 -0.072 8.103 1.00 0.00 C ATOM 1207 CD2 PHE A 76 109.208 -1.196 7.593 1.00 0.00 C ATOM 1208 CE1 PHE A 76 107.359 -0.251 9.470 1.00 0.00 C ATOM 1209 CE2 PHE A 76 109.446 -1.376 8.960 1.00 0.00 C ATOM 1210 CZ PHE A 76 108.523 -0.904 9.899 1.00 0.00 C ATOM 0 H PHE A 76 105.691 -1.843 6.792 1.00 0.00 H new ATOM 0 HA PHE A 76 106.872 -1.466 4.046 1.00 0.00 H new ATOM 0 HB2 PHE A 76 108.738 -0.262 5.153 1.00 0.00 H new ATOM 0 HB3 PHE A 76 107.250 0.586 5.523 1.00 0.00 H new ATOM 0 HD1 PHE A 76 106.225 0.429 7.772 1.00 0.00 H new ATOM 0 HD2 PHE A 76 109.920 -1.562 6.868 1.00 0.00 H new ATOM 0 HE1 PHE A 76 106.646 0.114 10.194 1.00 0.00 H new ATOM 0 HE2 PHE A 76 110.343 -1.879 9.290 1.00 0.00 H new ATOM 0 HZ PHE A 76 108.707 -1.043 10.954 1.00 0.00 H new ATOM 1220 N VAL A 77 108.358 -3.404 4.470 1.00 0.00 N ATOM 1221 CA VAL A 77 109.069 -4.691 4.687 1.00 0.00 C ATOM 1222 C VAL A 77 110.507 -4.545 4.172 1.00 0.00 C ATOM 1223 O VAL A 77 110.730 -3.992 3.112 1.00 0.00 O ATOM 1224 CB VAL A 77 108.276 -5.710 3.859 1.00 0.00 C ATOM 1225 CG1 VAL A 77 109.043 -7.034 3.781 1.00 0.00 C ATOM 1226 CG2 VAL A 77 106.915 -5.948 4.522 1.00 0.00 C ATOM 0 H VAL A 77 108.455 -3.012 3.533 1.00 0.00 H new ATOM 0 HA VAL A 77 109.129 -4.995 5.732 1.00 0.00 H new ATOM 0 HB VAL A 77 108.134 -5.321 2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 77 108.472 -7.751 3.191 1.00 0.00 H new ATOM 0 HG12 VAL A 77 110.012 -6.866 3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 77 109.192 -7.428 4.786 1.00 0.00 H new ATOM 0 HG21 VAL A 77 106.347 -6.672 3.937 1.00 0.00 H new ATOM 0 HG22 VAL A 77 107.064 -6.333 5.531 1.00 0.00 H new ATOM 0 HG23 VAL A 77 106.364 -5.008 4.570 1.00 0.00 H new ATOM 1236 N ILE A 78 111.481 -5.023 4.897 1.00 0.00 N ATOM 1237 CA ILE A 78 112.888 -4.887 4.414 1.00 0.00 C ATOM 1238 C ILE A 78 113.506 -6.262 4.154 1.00 0.00 C ATOM 1239 O ILE A 78 113.505 -7.132 5.002 1.00 0.00 O ATOM 1240 CB ILE A 78 113.621 -4.167 5.543 1.00 0.00 C ATOM 1241 CG1 ILE A 78 112.956 -2.812 5.781 1.00 0.00 C ATOM 1242 CG2 ILE A 78 115.080 -3.940 5.142 1.00 0.00 C ATOM 1243 CD1 ILE A 78 113.475 -2.203 7.084 1.00 0.00 C ATOM 0 H ILE A 78 111.368 -5.497 5.793 1.00 0.00 H new ATOM 0 HA ILE A 78 112.949 -4.341 3.473 1.00 0.00 H new ATOM 0 HB ILE A 78 113.580 -4.771 6.450 1.00 0.00 H new ATOM 0 HG12 ILE A 78 113.165 -2.142 4.947 1.00 0.00 H new ATOM 0 HG13 ILE A 78 111.874 -2.931 5.830 1.00 0.00 H new ATOM 0 HG21 ILE A 78 115.603 -3.426 5.948 1.00 0.00 H new ATOM 0 HG22 ILE A 78 115.559 -4.901 4.953 1.00 0.00 H new ATOM 0 HG23 ILE A 78 115.119 -3.331 4.238 1.00 0.00 H new ATOM 0 HD11 ILE A 78 112.998 -1.237 7.249 1.00 0.00 H new ATOM 0 HD12 ILE A 78 113.243 -2.869 7.915 1.00 0.00 H new ATOM 0 HD13 ILE A 78 114.555 -2.068 7.018 1.00 0.00 H new ATOM 1255 N TYR A 79 114.036 -6.454 2.980 1.00 0.00 N ATOM 1256 CA TYR A 79 114.667 -7.762 2.637 1.00 0.00 C ATOM 1257 C TYR A 79 116.067 -7.537 2.062 1.00 0.00 C ATOM 1258 O TYR A 79 116.227 -6.981 0.992 1.00 0.00 O ATOM 1259 CB TYR A 79 113.746 -8.383 1.591 1.00 0.00 C ATOM 1260 CG TYR A 79 114.265 -9.750 1.224 1.00 0.00 C ATOM 1261 CD1 TYR A 79 114.203 -10.793 2.154 1.00 0.00 C ATOM 1262 CD2 TYR A 79 114.814 -9.973 -0.045 1.00 0.00 C ATOM 1263 CE1 TYR A 79 114.684 -12.062 1.814 1.00 0.00 C ATOM 1264 CE2 TYR A 79 115.295 -11.240 -0.384 1.00 0.00 C ATOM 1265 CZ TYR A 79 115.232 -12.288 0.545 1.00 0.00 C ATOM 1266 OH TYR A 79 115.706 -13.541 0.209 1.00 0.00 O ATOM 0 H TYR A 79 114.060 -5.757 2.236 1.00 0.00 H new ATOM 0 HA TYR A 79 114.784 -8.408 3.507 1.00 0.00 H new ATOM 0 HB2 TYR A 79 112.731 -8.459 1.981 1.00 0.00 H new ATOM 0 HB3 TYR A 79 113.701 -7.748 0.706 1.00 0.00 H new ATOM 0 HD1 TYR A 79 113.784 -10.619 3.134 1.00 0.00 H new ATOM 0 HD2 TYR A 79 114.865 -9.166 -0.761 1.00 0.00 H new ATOM 0 HE1 TYR A 79 114.633 -12.868 2.531 1.00 0.00 H new ATOM 0 HE2 TYR A 79 115.716 -11.412 -1.363 1.00 0.00 H new ATOM 0 HH TYR A 79 115.199 -14.224 0.695 1.00 0.00 H new ATOM 1276 N GLY A 80 117.084 -7.966 2.767 1.00 0.00 N ATOM 1277 CA GLY A 80 118.473 -7.775 2.277 1.00 0.00 C ATOM 1278 C GLY A 80 118.995 -9.082 1.693 1.00 0.00 C ATOM 1279 O GLY A 80 118.630 -10.156 2.122 1.00 0.00 O ATOM 0 H GLY A 80 117.006 -8.442 3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 80 118.497 -6.992 1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 80 119.116 -7.448 3.094 1.00 0.00 H new ATOM 1283 N ASP A 81 119.847 -8.991 0.709 1.00 0.00 N ATOM 1284 CA ASP A 81 120.397 -10.225 0.088 1.00 0.00 C ATOM 1285 C ASP A 81 121.170 -11.022 1.145 1.00 0.00 C ATOM 1286 O ASP A 81 121.328 -10.585 2.268 1.00 0.00 O ATOM 1287 CB ASP A 81 121.323 -9.732 -1.029 1.00 0.00 C ATOM 1288 CG ASP A 81 121.726 -10.905 -1.925 1.00 0.00 C ATOM 1289 OD1 ASP A 81 120.972 -11.860 -1.994 1.00 0.00 O ATOM 1290 OD2 ASP A 81 122.784 -10.826 -2.527 1.00 0.00 O1- ATOM 0 H ASP A 81 120.185 -8.115 0.310 1.00 0.00 H new ATOM 0 HA ASP A 81 119.625 -10.885 -0.307 1.00 0.00 H new ATOM 0 HB2 ASP A 81 120.819 -8.967 -1.620 1.00 0.00 H new ATOM 0 HB3 ASP A 81 122.211 -9.269 -0.599 1.00 0.00 H new ATOM 1295 N LYS A 82 121.636 -12.189 0.805 1.00 0.00 N ATOM 1296 CA LYS A 82 122.378 -13.014 1.805 1.00 0.00 C ATOM 1297 C LYS A 82 123.597 -12.260 2.345 1.00 0.00 C ATOM 1298 O LYS A 82 124.076 -12.535 3.424 1.00 0.00 O ATOM 1299 CB LYS A 82 122.828 -14.254 1.040 1.00 0.00 C ATOM 1300 CG LYS A 82 121.607 -15.080 0.654 1.00 0.00 C ATOM 1301 CD LYS A 82 122.054 -16.291 -0.157 1.00 0.00 C ATOM 1302 CE LYS A 82 120.822 -17.092 -0.564 1.00 0.00 C ATOM 1303 NZ LYS A 82 121.349 -18.203 -1.399 1.00 0.00 N1+ ATOM 0 H LYS A 82 121.537 -12.610 -0.119 1.00 0.00 H new ATOM 0 HA LYS A 82 121.754 -13.257 2.665 1.00 0.00 H new ATOM 0 HB2 LYS A 82 123.381 -13.963 0.147 1.00 0.00 H new ATOM 0 HB3 LYS A 82 123.504 -14.849 1.654 1.00 0.00 H new ATOM 0 HG2 LYS A 82 121.075 -15.403 1.549 1.00 0.00 H new ATOM 0 HG3 LYS A 82 120.913 -14.474 0.072 1.00 0.00 H new ATOM 0 HD2 LYS A 82 122.605 -15.971 -1.041 1.00 0.00 H new ATOM 0 HD3 LYS A 82 122.730 -16.911 0.432 1.00 0.00 H new ATOM 0 HE2 LYS A 82 120.291 -17.471 0.309 1.00 0.00 H new ATOM 0 HE3 LYS A 82 120.117 -16.477 -1.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 120.561 -18.801 -1.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 121.844 -17.811 -2.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 122.012 -18.775 -0.838 1.00 0.00 H new ATOM 1317 N GLY A 83 124.116 -11.328 1.596 1.00 0.00 N ATOM 1318 CA GLY A 83 125.327 -10.587 2.067 1.00 0.00 C ATOM 1319 C GLY A 83 125.019 -9.740 3.304 1.00 0.00 C ATOM 1320 O GLY A 83 125.704 -9.843 4.303 1.00 0.00 O ATOM 0 H GLY A 83 123.759 -11.046 0.683 1.00 0.00 H new ATOM 0 HA2 GLY A 83 126.122 -11.296 2.299 1.00 0.00 H new ATOM 0 HA3 GLY A 83 125.696 -9.945 1.267 1.00 0.00 H new ATOM 1324 N ILE A 84 124.000 -8.914 3.270 1.00 0.00 N ATOM 1325 CA ILE A 84 123.690 -8.095 4.483 1.00 0.00 C ATOM 1326 C ILE A 84 123.241 -9.045 5.594 1.00 0.00 C ATOM 1327 O ILE A 84 123.611 -8.903 6.738 1.00 0.00 O ATOM 1328 CB ILE A 84 122.566 -7.141 4.069 1.00 0.00 C ATOM 1329 CG1 ILE A 84 122.988 -6.377 2.808 1.00 0.00 C ATOM 1330 CG2 ILE A 84 122.294 -6.143 5.200 1.00 0.00 C ATOM 1331 CD1 ILE A 84 121.977 -6.647 1.697 1.00 0.00 C ATOM 0 H ILE A 84 123.381 -8.773 2.472 1.00 0.00 H new ATOM 0 HA ILE A 84 124.544 -7.527 4.852 1.00 0.00 H new ATOM 0 HB ILE A 84 121.661 -7.714 3.867 1.00 0.00 H new ATOM 0 HG12 ILE A 84 123.041 -5.308 3.016 1.00 0.00 H new ATOM 0 HG13 ILE A 84 123.984 -6.690 2.494 1.00 0.00 H new ATOM 0 HG21 ILE A 84 121.494 -5.465 4.903 1.00 0.00 H new ATOM 0 HG22 ILE A 84 121.997 -6.684 6.099 1.00 0.00 H new ATOM 0 HG23 ILE A 84 123.198 -5.569 5.404 1.00 0.00 H new ATOM 0 HD11 ILE A 84 122.272 -6.106 0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 84 121.947 -7.716 1.484 1.00 0.00 H new ATOM 0 HD13 ILE A 84 120.989 -6.312 2.014 1.00 0.00 H new ATOM 1343 N ASN A 85 122.409 -9.987 5.269 1.00 0.00 N ATOM 1344 CA ASN A 85 121.887 -10.921 6.307 1.00 0.00 C ATOM 1345 C ASN A 85 123.018 -11.738 6.946 1.00 0.00 C ATOM 1346 O ASN A 85 123.015 -11.992 8.135 1.00 0.00 O ATOM 1347 CB ASN A 85 120.930 -11.842 5.550 1.00 0.00 C ATOM 1348 CG ASN A 85 119.631 -11.102 5.223 1.00 0.00 C ATOM 1349 OD1 ASN A 85 119.332 -10.082 5.813 1.00 0.00 O ATOM 1350 ND2 ASN A 85 118.840 -11.578 4.298 1.00 0.00 N ATOM 0 H ASN A 85 122.063 -10.155 4.324 1.00 0.00 H new ATOM 0 HA ASN A 85 121.401 -10.386 7.123 1.00 0.00 H new ATOM 0 HB2 ASN A 85 121.400 -12.190 4.630 1.00 0.00 H new ATOM 0 HB3 ASN A 85 120.713 -12.725 6.151 1.00 0.00 H new ATOM 0 HD21 ASN A 85 117.972 -11.094 4.071 1.00 0.00 H new ATOM 0 HD22 ASN A 85 119.091 -12.434 3.803 1.00 0.00 H new ATOM 1357 N ASP A 86 123.981 -12.160 6.172 1.00 0.00 N ATOM 1358 CA ASP A 86 125.102 -12.967 6.736 1.00 0.00 C ATOM 1359 C ASP A 86 126.117 -12.103 7.497 1.00 0.00 C ATOM 1360 O ASP A 86 126.847 -12.596 8.334 1.00 0.00 O ATOM 1361 CB ASP A 86 125.801 -13.569 5.512 1.00 0.00 C ATOM 1362 CG ASP A 86 124.911 -14.631 4.857 1.00 0.00 C ATOM 1363 OD1 ASP A 86 123.881 -14.954 5.426 1.00 0.00 O1- ATOM 1364 OD2 ASP A 86 125.275 -15.099 3.791 1.00 0.00 O ATOM 0 H ASP A 86 124.040 -11.980 5.170 1.00 0.00 H new ATOM 0 HA ASP A 86 124.722 -13.705 7.443 1.00 0.00 H new ATOM 0 HB2 ASP A 86 126.029 -12.783 4.792 1.00 0.00 H new ATOM 0 HB3 ASP A 86 126.750 -14.014 5.810 1.00 0.00 H new ATOM 1369 N VAL A 87 126.198 -10.827 7.205 1.00 0.00 N ATOM 1370 CA VAL A 87 127.210 -9.978 7.910 1.00 0.00 C ATOM 1371 C VAL A 87 126.605 -9.190 9.083 1.00 0.00 C ATOM 1372 O VAL A 87 127.310 -8.825 10.003 1.00 0.00 O ATOM 1373 CB VAL A 87 127.762 -9.029 6.832 1.00 0.00 C ATOM 1374 CG1 VAL A 87 126.673 -8.062 6.372 1.00 0.00 C ATOM 1375 CG2 VAL A 87 128.940 -8.231 7.398 1.00 0.00 C ATOM 0 H VAL A 87 125.617 -10.343 6.520 1.00 0.00 H new ATOM 0 HA VAL A 87 127.989 -10.595 8.358 1.00 0.00 H new ATOM 0 HB VAL A 87 128.096 -9.623 5.982 1.00 0.00 H new ATOM 0 HG11 VAL A 87 127.076 -7.396 5.609 1.00 0.00 H new ATOM 0 HG12 VAL A 87 125.838 -8.626 5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 87 126.327 -7.473 7.221 1.00 0.00 H new ATOM 0 HG21 VAL A 87 129.327 -7.561 6.631 1.00 0.00 H new ATOM 0 HG22 VAL A 87 128.605 -7.647 8.255 1.00 0.00 H new ATOM 0 HG23 VAL A 87 129.727 -8.917 7.711 1.00 0.00 H new ATOM 1385 N VAL A 88 125.322 -8.915 9.074 1.00 0.00 N ATOM 1386 CA VAL A 88 124.736 -8.140 10.215 1.00 0.00 C ATOM 1387 C VAL A 88 123.686 -8.966 10.978 1.00 0.00 C ATOM 1388 O VAL A 88 123.216 -9.980 10.504 1.00 0.00 O ATOM 1389 CB VAL A 88 124.112 -6.892 9.595 1.00 0.00 C ATOM 1390 CG1 VAL A 88 125.155 -6.164 8.742 1.00 0.00 C ATOM 1391 CG2 VAL A 88 122.907 -7.270 8.732 1.00 0.00 C ATOM 0 H VAL A 88 124.666 -9.187 8.342 1.00 0.00 H new ATOM 0 HA VAL A 88 125.500 -7.882 10.948 1.00 0.00 H new ATOM 0 HB VAL A 88 123.774 -6.233 10.395 1.00 0.00 H new ATOM 0 HG11 VAL A 88 124.707 -5.274 8.301 1.00 0.00 H new ATOM 0 HG12 VAL A 88 125.999 -5.873 9.368 1.00 0.00 H new ATOM 0 HG13 VAL A 88 125.503 -6.826 7.949 1.00 0.00 H new ATOM 0 HG21 VAL A 88 122.474 -6.369 8.297 1.00 0.00 H new ATOM 0 HG22 VAL A 88 123.227 -7.940 7.934 1.00 0.00 H new ATOM 0 HG23 VAL A 88 122.160 -7.770 9.349 1.00 0.00 H new ATOM 1401 N SER A 89 123.343 -8.552 12.173 1.00 0.00 N ATOM 1402 CA SER A 89 122.354 -9.330 12.986 1.00 0.00 C ATOM 1403 C SER A 89 120.981 -8.647 13.021 1.00 0.00 C ATOM 1404 O SER A 89 120.771 -7.593 12.449 1.00 0.00 O ATOM 1405 CB SER A 89 122.952 -9.384 14.393 1.00 0.00 C ATOM 1406 OG SER A 89 121.930 -9.714 15.326 1.00 0.00 O ATOM 0 H SER A 89 123.704 -7.710 12.621 1.00 0.00 H new ATOM 0 HA SER A 89 122.188 -10.320 12.560 1.00 0.00 H new ATOM 0 HB2 SER A 89 123.750 -10.125 14.433 1.00 0.00 H new ATOM 0 HB3 SER A 89 123.397 -8.422 14.649 1.00 0.00 H new ATOM 0 HG SER A 89 122.310 -9.751 16.228 1.00 0.00 H new ATOM 1412 N ASP A 90 120.044 -9.252 13.702 1.00 0.00 N ATOM 1413 CA ASP A 90 118.678 -8.668 13.796 1.00 0.00 C ATOM 1414 C ASP A 90 118.737 -7.304 14.487 1.00 0.00 C ATOM 1415 O ASP A 90 118.043 -6.380 14.115 1.00 0.00 O ATOM 1416 CB ASP A 90 117.886 -9.672 14.637 1.00 0.00 C ATOM 1417 CG ASP A 90 116.436 -9.202 14.796 1.00 0.00 C ATOM 1418 OD1 ASP A 90 116.144 -8.080 14.412 1.00 0.00 O1- ATOM 1419 OD2 ASP A 90 115.641 -9.973 15.307 1.00 0.00 O ATOM 0 H ASP A 90 120.170 -10.133 14.201 1.00 0.00 H new ATOM 0 HA ASP A 90 118.221 -8.505 12.820 1.00 0.00 H new ATOM 0 HB2 ASP A 90 117.908 -10.653 14.162 1.00 0.00 H new ATOM 0 HB3 ASP A 90 118.350 -9.782 15.617 1.00 0.00 H new ATOM 1424 N ASP A 91 119.571 -7.165 15.481 1.00 0.00 N ATOM 1425 CA ASP A 91 119.676 -5.853 16.183 1.00 0.00 C ATOM 1426 C ASP A 91 120.171 -4.795 15.203 1.00 0.00 C ATOM 1427 O ASP A 91 119.723 -3.664 15.220 1.00 0.00 O ATOM 1428 CB ASP A 91 120.685 -6.070 17.307 1.00 0.00 C ATOM 1429 CG ASP A 91 119.972 -6.657 18.528 1.00 0.00 C ATOM 1430 OD1 ASP A 91 118.758 -6.545 18.597 1.00 0.00 O1- ATOM 1431 OD2 ASP A 91 120.653 -7.215 19.371 1.00 0.00 O ATOM 0 H ASP A 91 120.182 -7.900 15.837 1.00 0.00 H new ATOM 0 HA ASP A 91 118.719 -5.510 16.577 1.00 0.00 H new ATOM 0 HB2 ASP A 91 121.475 -6.744 16.975 1.00 0.00 H new ATOM 0 HB3 ASP A 91 121.161 -5.125 17.570 1.00 0.00 H new ATOM 1436 N PHE A 92 121.059 -5.158 14.322 1.00 0.00 N ATOM 1437 CA PHE A 92 121.534 -4.170 13.318 1.00 0.00 C ATOM 1438 C PHE A 92 120.365 -3.796 12.396 1.00 0.00 C ATOM 1439 O PHE A 92 120.315 -2.719 11.838 1.00 0.00 O ATOM 1440 CB PHE A 92 122.672 -4.859 12.547 1.00 0.00 C ATOM 1441 CG PHE A 92 123.049 -4.027 11.341 1.00 0.00 C ATOM 1442 CD1 PHE A 92 123.992 -3.014 11.466 1.00 0.00 C ATOM 1443 CD2 PHE A 92 122.423 -4.261 10.109 1.00 0.00 C ATOM 1444 CE1 PHE A 92 124.329 -2.240 10.360 1.00 0.00 C ATOM 1445 CE2 PHE A 92 122.757 -3.483 8.996 1.00 0.00 C ATOM 1446 CZ PHE A 92 123.712 -2.469 9.121 1.00 0.00 C ATOM 0 H PHE A 92 121.473 -6.088 14.254 1.00 0.00 H new ATOM 0 HA PHE A 92 121.896 -3.247 13.771 1.00 0.00 H new ATOM 0 HB2 PHE A 92 123.538 -4.988 13.196 1.00 0.00 H new ATOM 0 HB3 PHE A 92 122.359 -5.854 12.231 1.00 0.00 H new ATOM 0 HD1 PHE A 92 124.463 -2.828 12.420 1.00 0.00 H new ATOM 0 HD2 PHE A 92 121.683 -5.042 10.019 1.00 0.00 H new ATOM 0 HE1 PHE A 92 125.069 -1.459 10.456 1.00 0.00 H new ATOM 0 HE2 PHE A 92 122.280 -3.664 8.044 1.00 0.00 H new ATOM 0 HZ PHE A 92 123.974 -1.864 8.266 1.00 0.00 H new ATOM 1456 N TRP A 93 119.427 -4.689 12.244 1.00 0.00 N ATOM 1457 CA TRP A 93 118.260 -4.410 11.370 1.00 0.00 C ATOM 1458 C TRP A 93 117.194 -3.643 12.150 1.00 0.00 C ATOM 1459 O TRP A 93 116.384 -2.919 11.597 1.00 0.00 O ATOM 1460 CB TRP A 93 117.736 -5.795 10.992 1.00 0.00 C ATOM 1461 CG TRP A 93 118.341 -6.219 9.698 1.00 0.00 C ATOM 1462 CD1 TRP A 93 119.627 -6.589 9.518 1.00 0.00 C ATOM 1463 CD2 TRP A 93 117.699 -6.320 8.406 1.00 0.00 C ATOM 1464 NE1 TRP A 93 119.816 -6.907 8.182 1.00 0.00 N ATOM 1465 CE2 TRP A 93 118.653 -6.751 7.456 1.00 0.00 C ATOM 1466 CE3 TRP A 93 116.390 -6.075 7.974 1.00 0.00 C ATOM 1467 CZ2 TRP A 93 118.313 -6.930 6.116 1.00 0.00 C ATOM 1468 CZ3 TRP A 93 116.045 -6.255 6.637 1.00 0.00 C ATOM 1469 CH2 TRP A 93 116.999 -6.678 5.711 1.00 0.00 C ATOM 0 H TRP A 93 119.421 -5.605 12.692 1.00 0.00 H new ATOM 0 HA TRP A 93 118.520 -3.806 10.501 1.00 0.00 H new ATOM 0 HB2 TRP A 93 117.982 -6.514 11.773 1.00 0.00 H new ATOM 0 HB3 TRP A 93 116.649 -5.774 10.908 1.00 0.00 H new ATOM 0 HD1 TRP A 93 120.383 -6.630 10.288 1.00 0.00 H new ATOM 0 HE1 TRP A 93 120.703 -7.217 7.786 1.00 0.00 H new ATOM 0 HE3 TRP A 93 115.644 -5.745 8.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 119.053 -7.258 5.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 115.032 -6.066 6.315 1.00 0.00 H new ATOM 0 HH2 TRP A 93 116.721 -6.811 4.676 1.00 0.00 H new ATOM 1480 N ASP A 94 117.160 -3.853 13.432 1.00 0.00 N ATOM 1481 CA ASP A 94 116.112 -3.219 14.274 1.00 0.00 C ATOM 1482 C ASP A 94 116.124 -1.695 14.172 1.00 0.00 C ATOM 1483 O ASP A 94 115.076 -1.076 14.192 1.00 0.00 O ATOM 1484 CB ASP A 94 116.435 -3.674 15.696 1.00 0.00 C ATOM 1485 CG ASP A 94 115.806 -5.049 15.951 1.00 0.00 C ATOM 1486 OD1 ASP A 94 114.962 -5.458 15.166 1.00 0.00 O1- ATOM 1487 OD2 ASP A 94 116.184 -5.674 16.926 1.00 0.00 O ATOM 0 H ASP A 94 117.820 -4.443 13.939 1.00 0.00 H new ATOM 0 HA ASP A 94 115.113 -3.514 13.952 1.00 0.00 H new ATOM 0 HB2 ASP A 94 117.515 -3.725 15.836 1.00 0.00 H new ATOM 0 HB3 ASP A 94 116.054 -2.949 16.416 1.00 0.00 H new ATOM 1492 N THR A 95 117.272 -1.071 14.077 1.00 0.00 N ATOM 1493 CA THR A 95 117.271 0.423 13.991 1.00 0.00 C ATOM 1494 C THR A 95 116.613 0.850 12.676 1.00 0.00 C ATOM 1495 O THR A 95 115.969 1.875 12.575 1.00 0.00 O ATOM 1496 CB THR A 95 118.736 0.864 14.042 1.00 0.00 C ATOM 1497 OG1 THR A 95 119.462 0.255 12.977 1.00 0.00 O ATOM 1498 CG2 THR A 95 119.340 0.463 15.390 1.00 0.00 C ATOM 0 H THR A 95 118.189 -1.517 14.056 1.00 0.00 H new ATOM 0 HA THR A 95 116.711 0.881 14.806 1.00 0.00 H new ATOM 0 HB THR A 95 118.795 1.947 13.931 1.00 0.00 H new ATOM 0 HG1 THR A 95 120.398 0.542 13.013 1.00 0.00 H new ATOM 0 HG21 THR A 95 120.383 0.776 15.429 1.00 0.00 H new ATOM 0 HG22 THR A 95 118.786 0.946 16.195 1.00 0.00 H new ATOM 0 HG23 THR A 95 119.281 -0.619 15.508 1.00 0.00 H new ATOM 1506 N THR A 96 116.788 0.039 11.670 1.00 0.00 N ATOM 1507 CA THR A 96 116.208 0.325 10.321 1.00 0.00 C ATOM 1508 C THR A 96 114.687 0.429 10.374 1.00 0.00 C ATOM 1509 O THR A 96 114.078 1.343 9.848 1.00 0.00 O ATOM 1510 CB THR A 96 116.557 -0.920 9.511 1.00 0.00 C ATOM 1511 OG1 THR A 96 117.922 -1.246 9.726 1.00 0.00 O ATOM 1512 CG2 THR A 96 116.332 -0.625 8.032 1.00 0.00 C ATOM 0 H THR A 96 117.320 -0.830 11.725 1.00 0.00 H new ATOM 0 HA THR A 96 116.588 1.263 9.916 1.00 0.00 H new ATOM 0 HB THR A 96 115.930 -1.756 9.819 1.00 0.00 H new ATOM 0 HG1 THR A 96 118.152 -2.046 9.210 1.00 0.00 H new ATOM 0 HG21 THR A 96 116.579 -1.509 7.443 1.00 0.00 H new ATOM 0 HG22 THR A 96 115.287 -0.360 7.869 1.00 0.00 H new ATOM 0 HG23 THR A 96 116.969 0.205 7.725 1.00 0.00 H new ATOM 1520 N ARG A 97 114.077 -0.532 11.008 1.00 0.00 N ATOM 1521 CA ARG A 97 112.595 -0.544 11.111 1.00 0.00 C ATOM 1522 C ARG A 97 112.090 0.563 12.023 1.00 0.00 C ATOM 1523 O ARG A 97 111.048 1.140 11.780 1.00 0.00 O ATOM 1524 CB ARG A 97 112.230 -1.896 11.713 1.00 0.00 C ATOM 1525 CG ARG A 97 112.543 -3.008 10.717 1.00 0.00 C ATOM 1526 CD ARG A 97 112.084 -4.339 11.310 1.00 0.00 C ATOM 1527 NE ARG A 97 112.403 -5.360 10.280 1.00 0.00 N ATOM 1528 CZ ARG A 97 111.919 -6.564 10.395 1.00 0.00 C ATOM 1529 NH1 ARG A 97 111.936 -7.162 11.558 1.00 0.00 N ATOM 1530 NH2 ARG A 97 111.412 -7.165 9.354 1.00 0.00 N1+ ATOM 0 H ARG A 97 114.547 -1.315 11.462 1.00 0.00 H new ATOM 0 HA ARG A 97 112.144 -0.384 10.132 1.00 0.00 H new ATOM 0 HB2 ARG A 97 112.787 -2.055 12.636 1.00 0.00 H new ATOM 0 HB3 ARG A 97 111.171 -1.915 11.972 1.00 0.00 H new ATOM 0 HG2 ARG A 97 112.036 -2.821 9.770 1.00 0.00 H new ATOM 0 HG3 ARG A 97 113.612 -3.037 10.506 1.00 0.00 H new ATOM 0 HD2 ARG A 97 112.600 -4.551 12.246 1.00 0.00 H new ATOM 0 HD3 ARG A 97 111.017 -4.324 11.531 1.00 0.00 H new ATOM 0 HE ARG A 97 112.998 -5.120 9.487 1.00 0.00 H new ATOM 0 HH11 ARG A 97 112.327 -6.686 12.371 1.00 0.00 H new ATOM 0 HH12 ARG A 97 111.558 -8.105 11.652 1.00 0.00 H new ATOM 0 HH21 ARG A 97 111.395 -6.692 8.450 1.00 0.00 H new ATOM 0 HH22 ARG A 97 111.033 -8.108 9.444 1.00 0.00 H new ATOM 1544 N ASN A 98 112.794 0.852 13.082 1.00 0.00 N ATOM 1545 CA ASN A 98 112.307 1.907 14.009 1.00 0.00 C ATOM 1546 C ASN A 98 112.279 3.263 13.311 1.00 0.00 C ATOM 1547 O ASN A 98 111.327 4.006 13.442 1.00 0.00 O ATOM 1548 CB ASN A 98 113.283 1.899 15.177 1.00 0.00 C ATOM 1549 CG ASN A 98 112.979 0.702 16.075 1.00 0.00 C ATOM 1550 OD1 ASN A 98 111.905 0.137 16.009 1.00 0.00 O ATOM 1551 ND2 ASN A 98 113.885 0.288 16.914 1.00 0.00 N ATOM 0 H ASN A 98 113.675 0.409 13.342 1.00 0.00 H new ATOM 0 HA ASN A 98 111.287 1.720 14.346 1.00 0.00 H new ATOM 0 HB2 ASN A 98 114.308 1.843 14.810 1.00 0.00 H new ATOM 0 HB3 ASN A 98 113.198 2.826 15.744 1.00 0.00 H new ATOM 0 HD21 ASN A 98 113.694 -0.512 17.517 1.00 0.00 H new ATOM 0 HD22 ASN A 98 114.786 0.764 16.968 1.00 0.00 H new ATOM 1558 N ALA A 99 113.295 3.601 12.568 1.00 0.00 N ATOM 1559 CA ALA A 99 113.290 4.919 11.870 1.00 0.00 C ATOM 1560 C ALA A 99 112.154 4.996 10.855 1.00 0.00 C ATOM 1561 O ALA A 99 111.366 5.922 10.854 1.00 0.00 O ATOM 1562 CB ALA A 99 114.626 4.973 11.137 1.00 0.00 C ATOM 0 H ALA A 99 114.124 3.027 12.414 1.00 0.00 H new ATOM 0 HA ALA A 99 113.151 5.743 12.570 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.705 5.915 10.594 1.00 0.00 H new ATOM 0 HB2 ALA A 99 115.440 4.900 11.858 1.00 0.00 H new ATOM 0 HB3 ALA A 99 114.689 4.143 10.434 1.00 0.00 H new ATOM 1568 N ILE A 100 112.052 4.025 10.000 1.00 0.00 N ATOM 1569 CA ILE A 100 110.964 4.041 8.988 1.00 0.00 C ATOM 1570 C ILE A 100 109.598 3.907 9.673 1.00 0.00 C ATOM 1571 O ILE A 100 108.644 4.566 9.316 1.00 0.00 O ATOM 1572 CB ILE A 100 111.260 2.838 8.095 1.00 0.00 C ATOM 1573 CG1 ILE A 100 112.569 3.092 7.344 1.00 0.00 C ATOM 1574 CG2 ILE A 100 110.124 2.653 7.085 1.00 0.00 C ATOM 1575 CD1 ILE A 100 113.033 1.803 6.666 1.00 0.00 C ATOM 0 H ILE A 100 112.675 3.219 9.956 1.00 0.00 H new ATOM 0 HA ILE A 100 110.927 4.970 8.419 1.00 0.00 H new ATOM 0 HB ILE A 100 111.347 1.939 8.705 1.00 0.00 H new ATOM 0 HG12 ILE A 100 112.426 3.875 6.599 1.00 0.00 H new ATOM 0 HG13 ILE A 100 113.333 3.446 8.036 1.00 0.00 H new ATOM 0 HG21 ILE A 100 110.339 1.794 6.449 1.00 0.00 H new ATOM 0 HG22 ILE A 100 109.188 2.486 7.617 1.00 0.00 H new ATOM 0 HG23 ILE A 100 110.036 3.547 6.468 1.00 0.00 H new ATOM 0 HD11 ILE A 100 113.965 1.988 6.132 1.00 0.00 H new ATOM 0 HD12 ILE A 100 113.193 1.033 7.420 1.00 0.00 H new ATOM 0 HD13 ILE A 100 112.272 1.468 5.961 1.00 0.00 H new ATOM 1587 N GLN A 101 109.499 3.046 10.647 1.00 0.00 N ATOM 1588 CA GLN A 101 108.193 2.844 11.353 1.00 0.00 C ATOM 1589 C GLN A 101 107.735 4.115 12.082 1.00 0.00 C ATOM 1590 O GLN A 101 106.579 4.485 12.030 1.00 0.00 O ATOM 1591 CB GLN A 101 108.467 1.732 12.368 1.00 0.00 C ATOM 1592 CG GLN A 101 107.204 1.465 13.192 1.00 0.00 C ATOM 1593 CD GLN A 101 107.450 0.296 14.148 1.00 0.00 C ATOM 1594 OE1 GLN A 101 108.382 -0.464 13.969 1.00 0.00 O ATOM 1595 NE2 GLN A 101 106.650 0.120 15.164 1.00 0.00 N ATOM 0 H GLN A 101 110.267 2.469 10.989 1.00 0.00 H new ATOM 0 HA GLN A 101 107.399 2.595 10.649 1.00 0.00 H new ATOM 0 HB2 GLN A 101 108.775 0.823 11.852 1.00 0.00 H new ATOM 0 HB3 GLN A 101 109.288 2.020 13.025 1.00 0.00 H new ATOM 0 HG2 GLN A 101 106.930 2.357 13.756 1.00 0.00 H new ATOM 0 HG3 GLN A 101 106.368 1.237 12.531 1.00 0.00 H new ATOM 0 HE21 GLN A 101 105.868 0.758 15.314 1.00 0.00 H new ATOM 0 HE22 GLN A 101 106.807 -0.655 15.808 1.00 0.00 H new ATOM 1604 N LEU A 102 108.620 4.765 12.783 1.00 0.00 N ATOM 1605 CA LEU A 102 108.226 5.988 13.546 1.00 0.00 C ATOM 1606 C LEU A 102 107.744 7.106 12.618 1.00 0.00 C ATOM 1607 O LEU A 102 106.761 7.775 12.895 1.00 0.00 O ATOM 1608 CB LEU A 102 109.500 6.425 14.268 1.00 0.00 C ATOM 1609 CG LEU A 102 109.224 7.705 15.064 1.00 0.00 C ATOM 1610 CD1 LEU A 102 108.292 7.389 16.234 1.00 0.00 C ATOM 1611 CD2 LEU A 102 110.538 8.273 15.600 1.00 0.00 C ATOM 0 H LEU A 102 109.603 4.504 12.863 1.00 0.00 H new ATOM 0 HA LEU A 102 107.400 5.779 14.226 1.00 0.00 H new ATOM 0 HB2 LEU A 102 109.841 5.635 14.937 1.00 0.00 H new ATOM 0 HB3 LEU A 102 110.298 6.598 13.546 1.00 0.00 H new ATOM 0 HG LEU A 102 108.753 8.439 14.411 1.00 0.00 H new ATOM 0 HD11 LEU A 102 108.096 8.300 16.800 1.00 0.00 H new ATOM 0 HD12 LEU A 102 107.352 6.990 15.853 1.00 0.00 H new ATOM 0 HD13 LEU A 102 108.762 6.652 16.885 1.00 0.00 H new ATOM 0 HD21 LEU A 102 110.337 9.183 16.165 1.00 0.00 H new ATOM 0 HD22 LEU A 102 111.013 7.539 16.251 1.00 0.00 H new ATOM 0 HD23 LEU A 102 111.202 8.503 14.767 1.00 0.00 H new ATOM 1623 N GLN A 103 108.419 7.310 11.520 1.00 0.00 N ATOM 1624 CA GLN A 103 107.972 8.392 10.597 1.00 0.00 C ATOM 1625 C GLN A 103 106.687 7.939 9.898 1.00 0.00 C ATOM 1626 O GLN A 103 105.747 8.699 9.737 1.00 0.00 O ATOM 1627 CB GLN A 103 109.121 8.624 9.621 1.00 0.00 C ATOM 1628 CG GLN A 103 109.128 10.092 9.181 1.00 0.00 C ATOM 1629 CD GLN A 103 109.314 10.993 10.406 1.00 0.00 C ATOM 1630 OE1 GLN A 103 109.953 10.609 11.367 1.00 0.00 O ATOM 1631 NE2 GLN A 103 108.781 12.185 10.415 1.00 0.00 N ATOM 0 H GLN A 103 109.244 6.787 11.226 1.00 0.00 H new ATOM 0 HA GLN A 103 107.742 9.326 11.110 1.00 0.00 H new ATOM 0 HB2 GLN A 103 110.070 8.370 10.093 1.00 0.00 H new ATOM 0 HB3 GLN A 103 109.012 7.973 8.753 1.00 0.00 H new ATOM 0 HG2 GLN A 103 109.931 10.264 8.465 1.00 0.00 H new ATOM 0 HG3 GLN A 103 108.193 10.336 8.676 1.00 0.00 H new ATOM 0 HE21 GLN A 103 108.245 12.510 9.611 1.00 0.00 H new ATOM 0 HE22 GLN A 103 108.901 12.791 11.226 1.00 0.00 H new ATOM 1640 N PHE A 104 106.627 6.686 9.522 1.00 0.00 N ATOM 1641 CA PHE A 104 105.387 6.164 8.881 1.00 0.00 C ATOM 1642 C PHE A 104 104.234 6.354 9.863 1.00 0.00 C ATOM 1643 O PHE A 104 103.121 6.674 9.493 1.00 0.00 O ATOM 1644 CB PHE A 104 105.635 4.667 8.654 1.00 0.00 C ATOM 1645 CG PHE A 104 105.980 4.407 7.203 1.00 0.00 C ATOM 1646 CD1 PHE A 104 107.238 4.760 6.701 1.00 0.00 C ATOM 1647 CD2 PHE A 104 105.037 3.805 6.361 1.00 0.00 C ATOM 1648 CE1 PHE A 104 107.554 4.509 5.361 1.00 0.00 C ATOM 1649 CE2 PHE A 104 105.354 3.553 5.019 1.00 0.00 C ATOM 1650 CZ PHE A 104 106.613 3.906 4.521 1.00 0.00 C ATOM 0 H PHE A 104 107.380 6.007 9.631 1.00 0.00 H new ATOM 0 HA PHE A 104 105.146 6.670 7.946 1.00 0.00 H new ATOM 0 HB2 PHE A 104 106.447 4.324 9.295 1.00 0.00 H new ATOM 0 HB3 PHE A 104 104.748 4.098 8.932 1.00 0.00 H new ATOM 0 HD1 PHE A 104 107.966 5.227 7.349 1.00 0.00 H new ATOM 0 HD2 PHE A 104 104.065 3.535 6.746 1.00 0.00 H new ATOM 0 HE1 PHE A 104 108.525 4.781 4.975 1.00 0.00 H new ATOM 0 HE2 PHE A 104 104.627 3.087 4.370 1.00 0.00 H new ATOM 0 HZ PHE A 104 106.858 3.713 3.487 1.00 0.00 H new ATOM 1660 N LYS A 105 104.509 6.144 11.126 1.00 0.00 N ATOM 1661 CA LYS A 105 103.461 6.293 12.167 1.00 0.00 C ATOM 1662 C LYS A 105 102.949 7.727 12.185 1.00 0.00 C ATOM 1663 O LYS A 105 101.776 7.977 12.388 1.00 0.00 O ATOM 1664 CB LYS A 105 104.168 5.975 13.482 1.00 0.00 C ATOM 1665 CG LYS A 105 103.128 5.621 14.538 1.00 0.00 C ATOM 1666 CD LYS A 105 103.834 5.151 15.815 1.00 0.00 C ATOM 1667 CE LYS A 105 102.794 4.705 16.850 1.00 0.00 C ATOM 1668 NZ LYS A 105 102.095 5.954 17.268 1.00 0.00 N1+ ATOM 0 H LYS A 105 105.427 5.873 11.478 1.00 0.00 H new ATOM 0 HA LYS A 105 102.605 5.642 11.990 1.00 0.00 H new ATOM 0 HB2 LYS A 105 104.861 5.145 13.345 1.00 0.00 H new ATOM 0 HB3 LYS A 105 104.758 6.832 13.808 1.00 0.00 H new ATOM 0 HG2 LYS A 105 102.503 6.488 14.753 1.00 0.00 H new ATOM 0 HG3 LYS A 105 102.468 4.838 14.165 1.00 0.00 H new ATOM 0 HD2 LYS A 105 104.509 4.326 15.586 1.00 0.00 H new ATOM 0 HD3 LYS A 105 104.443 5.958 16.223 1.00 0.00 H new ATOM 0 HE2 LYS A 105 102.095 3.988 16.421 1.00 0.00 H new ATOM 0 HE3 LYS A 105 103.270 4.217 17.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 101.670 5.816 18.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 102.778 6.737 17.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 101.348 6.181 16.580 1.00 0.00 H new ATOM 1682 N GLN A 106 103.811 8.675 11.949 1.00 0.00 N ATOM 1683 CA GLN A 106 103.365 10.092 11.924 1.00 0.00 C ATOM 1684 C GLN A 106 102.605 10.362 10.617 1.00 0.00 C ATOM 1685 O GLN A 106 101.855 11.312 10.515 1.00 0.00 O ATOM 1686 CB GLN A 106 104.668 10.892 11.987 1.00 0.00 C ATOM 1687 CG GLN A 106 105.344 10.624 13.332 1.00 0.00 C ATOM 1688 CD GLN A 106 106.696 11.332 13.379 1.00 0.00 C ATOM 1689 OE1 GLN A 106 107.072 12.014 12.447 1.00 0.00 O ATOM 1690 NE2 GLN A 106 107.447 11.202 14.438 1.00 0.00 N ATOM 0 H GLN A 106 104.805 8.529 11.772 1.00 0.00 H new ATOM 0 HA GLN A 106 102.690 10.354 12.739 1.00 0.00 H new ATOM 0 HB2 GLN A 106 105.328 10.604 11.169 1.00 0.00 H new ATOM 0 HB3 GLN A 106 104.464 11.957 11.872 1.00 0.00 H new ATOM 0 HG2 GLN A 106 104.710 10.977 14.145 1.00 0.00 H new ATOM 0 HG3 GLN A 106 105.479 9.552 13.475 1.00 0.00 H new ATOM 0 HE21 GLN A 106 107.131 10.629 15.220 1.00 0.00 H new ATOM 0 HE22 GLN A 106 108.350 11.673 14.484 1.00 0.00 H new ATOM 1699 N GLY A 107 102.778 9.524 9.624 1.00 0.00 N ATOM 1700 CA GLY A 107 102.050 9.729 8.345 1.00 0.00 C ATOM 1701 C GLY A 107 102.986 10.300 7.273 1.00 0.00 C ATOM 1702 O GLY A 107 102.569 10.542 6.157 1.00 0.00 O ATOM 0 H GLY A 107 103.392 8.710 9.649 1.00 0.00 H new ATOM 0 HA2 GLY A 107 101.632 8.782 8.003 1.00 0.00 H new ATOM 0 HA3 GLY A 107 101.212 10.408 8.503 1.00 0.00 H new ATOM 1706 N ASN A 108 104.244 10.510 7.579 1.00 0.00 N ATOM 1707 CA ASN A 108 105.169 11.052 6.541 1.00 0.00 C ATOM 1708 C ASN A 108 105.975 9.913 5.919 1.00 0.00 C ATOM 1709 O ASN A 108 106.996 9.494 6.432 1.00 0.00 O ATOM 1710 CB ASN A 108 106.087 12.031 7.274 1.00 0.00 C ATOM 1711 CG ASN A 108 106.705 13.008 6.273 1.00 0.00 C ATOM 1712 OD1 ASN A 108 107.276 12.603 5.279 1.00 0.00 O ATOM 1713 ND2 ASN A 108 106.611 14.290 6.497 1.00 0.00 N ATOM 0 H ASN A 108 104.664 10.331 8.491 1.00 0.00 H new ATOM 0 HA ASN A 108 104.633 11.546 5.731 1.00 0.00 H new ATOM 0 HB2 ASN A 108 105.522 12.578 8.029 1.00 0.00 H new ATOM 0 HB3 ASN A 108 106.873 11.486 7.797 1.00 0.00 H new ATOM 0 HD21 ASN A 108 107.017 14.954 5.838 1.00 0.00 H new ATOM 0 HD22 ASN A 108 106.132 14.628 7.331 1.00 0.00 H new ATOM 1720 N PHE A 109 105.509 9.414 4.808 1.00 0.00 N ATOM 1721 CA PHE A 109 106.214 8.302 4.116 1.00 0.00 C ATOM 1722 C PHE A 109 107.592 8.745 3.620 1.00 0.00 C ATOM 1723 O PHE A 109 108.550 7.999 3.686 1.00 0.00 O ATOM 1724 CB PHE A 109 105.330 7.974 2.903 1.00 0.00 C ATOM 1725 CG PHE A 109 103.964 7.431 3.304 1.00 0.00 C ATOM 1726 CD1 PHE A 109 103.709 6.926 4.594 1.00 0.00 C ATOM 1727 CD2 PHE A 109 102.943 7.423 2.347 1.00 0.00 C ATOM 1728 CE1 PHE A 109 102.446 6.427 4.914 1.00 0.00 C ATOM 1729 CE2 PHE A 109 101.677 6.924 2.669 1.00 0.00 C ATOM 1730 CZ PHE A 109 101.427 6.425 3.952 1.00 0.00 C ATOM 0 H PHE A 109 104.658 9.735 4.345 1.00 0.00 H new ATOM 0 HA PHE A 109 106.367 7.454 4.784 1.00 0.00 H new ATOM 0 HB2 PHE A 109 105.197 8.873 2.301 1.00 0.00 H new ATOM 0 HB3 PHE A 109 105.838 7.242 2.275 1.00 0.00 H new ATOM 0 HD1 PHE A 109 104.493 6.925 5.337 1.00 0.00 H new ATOM 0 HD2 PHE A 109 103.134 7.804 1.355 1.00 0.00 H new ATOM 0 HE1 PHE A 109 102.253 6.042 5.904 1.00 0.00 H new ATOM 0 HE2 PHE A 109 100.892 6.924 1.927 1.00 0.00 H new ATOM 0 HZ PHE A 109 100.450 6.039 4.201 1.00 0.00 H new ATOM 1740 N LYS A 110 107.693 9.935 3.084 1.00 0.00 N ATOM 1741 CA LYS A 110 109.007 10.396 2.538 1.00 0.00 C ATOM 1742 C LYS A 110 110.064 10.525 3.634 1.00 0.00 C ATOM 1743 O LYS A 110 111.169 10.034 3.490 1.00 0.00 O ATOM 1744 CB LYS A 110 108.725 11.765 1.912 1.00 0.00 C ATOM 1745 CG LYS A 110 110.027 12.352 1.358 1.00 0.00 C ATOM 1746 CD LYS A 110 109.795 13.780 0.860 1.00 0.00 C ATOM 1747 CE LYS A 110 111.110 14.326 0.302 1.00 0.00 C ATOM 1748 NZ LYS A 110 110.925 15.801 0.208 1.00 0.00 N1+ ATOM 0 H LYS A 110 106.928 10.604 3.001 1.00 0.00 H new ATOM 0 HA LYS A 110 109.403 9.680 1.818 1.00 0.00 H new ATOM 0 HB2 LYS A 110 107.989 11.667 1.114 1.00 0.00 H new ATOM 0 HB3 LYS A 110 108.299 12.437 2.657 1.00 0.00 H new ATOM 0 HG2 LYS A 110 110.794 12.350 2.133 1.00 0.00 H new ATOM 0 HG3 LYS A 110 110.396 11.730 0.542 1.00 0.00 H new ATOM 0 HD2 LYS A 110 109.024 13.791 0.089 1.00 0.00 H new ATOM 0 HD3 LYS A 110 109.440 14.411 1.675 1.00 0.00 H new ATOM 0 HE2 LYS A 110 111.946 14.077 0.955 1.00 0.00 H new ATOM 0 HE3 LYS A 110 111.330 13.896 -0.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 111.357 16.150 -0.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 109.909 16.024 0.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 111.380 16.261 1.023 1.00 0.00 H new ATOM 1762 N GLN A 111 109.758 11.196 4.711 1.00 0.00 N ATOM 1763 CA GLN A 111 110.785 11.358 5.778 1.00 0.00 C ATOM 1764 C GLN A 111 111.173 9.995 6.340 1.00 0.00 C ATOM 1765 O GLN A 111 112.311 9.775 6.705 1.00 0.00 O ATOM 1766 CB GLN A 111 110.150 12.231 6.856 1.00 0.00 C ATOM 1767 CG GLN A 111 110.052 13.676 6.372 1.00 0.00 C ATOM 1768 CD GLN A 111 109.375 14.518 7.456 1.00 0.00 C ATOM 1769 OE1 GLN A 111 109.104 14.032 8.537 1.00 0.00 O ATOM 1770 NE2 GLN A 111 109.088 15.765 7.214 1.00 0.00 N ATOM 0 H GLN A 111 108.855 11.633 4.897 1.00 0.00 H new ATOM 0 HA GLN A 111 111.695 11.818 5.394 1.00 0.00 H new ATOM 0 HB2 GLN A 111 109.157 11.854 7.102 1.00 0.00 H new ATOM 0 HB3 GLN A 111 110.744 12.185 7.769 1.00 0.00 H new ATOM 0 HG2 GLN A 111 111.045 14.069 6.155 1.00 0.00 H new ATOM 0 HG3 GLN A 111 109.481 13.725 5.445 1.00 0.00 H new ATOM 0 HE21 GLN A 111 109.315 16.174 6.308 1.00 0.00 H new ATOM 0 HE22 GLN A 111 108.636 16.333 7.931 1.00 0.00 H new ATOM 1779 N GLY A 112 110.250 9.076 6.419 1.00 0.00 N ATOM 1780 CA GLY A 112 110.601 7.735 6.960 1.00 0.00 C ATOM 1781 C GLY A 112 111.566 7.029 6.005 1.00 0.00 C ATOM 1782 O GLY A 112 112.572 6.482 6.412 1.00 0.00 O ATOM 0 H GLY A 112 109.277 9.195 6.135 1.00 0.00 H new ATOM 0 HA2 GLY A 112 111.058 7.838 7.944 1.00 0.00 H new ATOM 0 HA3 GLY A 112 109.699 7.137 7.089 1.00 0.00 H new ATOM 1786 N LEU A 113 111.258 7.024 4.736 1.00 0.00 N ATOM 1787 CA LEU A 113 112.140 6.337 3.746 1.00 0.00 C ATOM 1788 C LEU A 113 113.532 6.981 3.672 1.00 0.00 C ATOM 1789 O LEU A 113 114.536 6.296 3.654 1.00 0.00 O ATOM 1790 CB LEU A 113 111.399 6.489 2.415 1.00 0.00 C ATOM 1791 CG LEU A 113 110.152 5.598 2.433 1.00 0.00 C ATOM 1792 CD1 LEU A 113 109.273 5.893 1.213 1.00 0.00 C ATOM 1793 CD2 LEU A 113 110.584 4.130 2.413 1.00 0.00 C ATOM 0 H LEU A 113 110.430 7.468 4.340 1.00 0.00 H new ATOM 0 HA LEU A 113 112.319 5.296 4.017 1.00 0.00 H new ATOM 0 HB2 LEU A 113 111.116 7.530 2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 113 112.050 6.208 1.587 1.00 0.00 H new ATOM 0 HG LEU A 113 109.577 5.802 3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 113 108.390 5.254 1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 113 108.965 6.938 1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 113 109.838 5.697 0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 113 109.701 3.491 2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.162 3.933 1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 113 111.197 3.919 3.289 1.00 0.00 H new ATOM 1805 N VAL A 114 113.607 8.282 3.625 1.00 0.00 N ATOM 1806 CA VAL A 114 114.944 8.939 3.547 1.00 0.00 C ATOM 1807 C VAL A 114 115.736 8.727 4.847 1.00 0.00 C ATOM 1808 O VAL A 114 116.911 8.415 4.820 1.00 0.00 O ATOM 1809 CB VAL A 114 114.654 10.425 3.298 1.00 0.00 C ATOM 1810 CG1 VAL A 114 113.958 11.058 4.503 1.00 0.00 C ATOM 1811 CG2 VAL A 114 115.967 11.159 3.020 1.00 0.00 C ATOM 0 H VAL A 114 112.808 8.916 3.637 1.00 0.00 H new ATOM 0 HA VAL A 114 115.560 8.518 2.752 1.00 0.00 H new ATOM 0 HB VAL A 114 113.991 10.509 2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 114 113.764 12.111 4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 114 113.015 10.545 4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 114 114.598 10.970 5.381 1.00 0.00 H new ATOM 0 HG21 VAL A 114 115.763 12.215 2.843 1.00 0.00 H new ATOM 0 HG22 VAL A 114 116.630 11.057 3.879 1.00 0.00 H new ATOM 0 HG23 VAL A 114 116.445 10.729 2.140 1.00 0.00 H new ATOM 1821 N ASP A 115 115.108 8.899 5.982 1.00 0.00 N ATOM 1822 CA ASP A 115 115.831 8.718 7.272 1.00 0.00 C ATOM 1823 C ASP A 115 116.267 7.267 7.437 1.00 0.00 C ATOM 1824 O ASP A 115 117.331 6.989 7.953 1.00 0.00 O ATOM 1825 CB ASP A 115 114.831 9.122 8.357 1.00 0.00 C ATOM 1826 CG ASP A 115 114.887 10.636 8.561 1.00 0.00 C ATOM 1827 OD1 ASP A 115 115.979 11.178 8.520 1.00 0.00 O1- ATOM 1828 OD2 ASP A 115 113.838 11.227 8.766 1.00 0.00 O ATOM 0 H ASP A 115 114.125 9.157 6.069 1.00 0.00 H new ATOM 0 HA ASP A 115 116.738 9.320 7.323 1.00 0.00 H new ATOM 0 HB2 ASP A 115 113.824 8.820 8.070 1.00 0.00 H new ATOM 0 HB3 ASP A 115 115.064 8.609 9.290 1.00 0.00 H new ATOM 1833 N GLY A 116 115.459 6.339 7.012 1.00 0.00 N ATOM 1834 CA GLY A 116 115.843 4.912 7.156 1.00 0.00 C ATOM 1835 C GLY A 116 117.093 4.643 6.330 1.00 0.00 C ATOM 1836 O GLY A 116 118.006 3.971 6.768 1.00 0.00 O ATOM 0 H GLY A 116 114.554 6.507 6.573 1.00 0.00 H new ATOM 0 HA2 GLY A 116 116.028 4.677 8.204 1.00 0.00 H new ATOM 0 HA3 GLY A 116 115.028 4.269 6.824 1.00 0.00 H new ATOM 1840 N ILE A 117 117.148 5.166 5.138 1.00 0.00 N ATOM 1841 CA ILE A 117 118.347 4.933 4.296 1.00 0.00 C ATOM 1842 C ILE A 117 119.576 5.577 4.949 1.00 0.00 C ATOM 1843 O ILE A 117 120.636 4.988 5.004 1.00 0.00 O ATOM 1844 CB ILE A 117 118.030 5.588 2.951 1.00 0.00 C ATOM 1845 CG1 ILE A 117 116.887 4.831 2.275 1.00 0.00 C ATOM 1846 CG2 ILE A 117 119.265 5.515 2.051 1.00 0.00 C ATOM 1847 CD1 ILE A 117 116.418 5.611 1.045 1.00 0.00 C ATOM 0 H ILE A 117 116.419 5.740 4.715 1.00 0.00 H new ATOM 0 HA ILE A 117 118.573 3.873 4.176 1.00 0.00 H new ATOM 0 HB ILE A 117 117.744 6.627 3.113 1.00 0.00 H new ATOM 0 HG12 ILE A 117 117.219 3.835 1.983 1.00 0.00 H new ATOM 0 HG13 ILE A 117 116.060 4.700 2.973 1.00 0.00 H new ATOM 0 HG21 ILE A 117 119.044 5.981 1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 117 120.093 6.040 2.527 1.00 0.00 H new ATOM 0 HG23 ILE A 117 119.539 4.472 1.893 1.00 0.00 H new ATOM 0 HD11 ILE A 117 115.603 5.072 0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 117 116.070 6.598 1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 117 117.247 5.719 0.345 1.00 0.00 H new ATOM 1859 N GLU A 118 119.447 6.779 5.443 1.00 0.00 N ATOM 1860 CA GLU A 118 120.620 7.439 6.083 1.00 0.00 C ATOM 1861 C GLU A 118 121.147 6.578 7.234 1.00 0.00 C ATOM 1862 O GLU A 118 122.318 6.266 7.299 1.00 0.00 O ATOM 1863 CB GLU A 118 120.096 8.771 6.611 1.00 0.00 C ATOM 1864 CG GLU A 118 121.246 9.543 7.258 1.00 0.00 C ATOM 1865 CD GLU A 118 120.751 10.911 7.737 1.00 0.00 C ATOM 1866 OE1 GLU A 118 119.673 11.312 7.326 1.00 0.00 O ATOM 1867 OE2 GLU A 118 121.462 11.537 8.505 1.00 0.00 O1- ATOM 0 H GLU A 118 118.588 7.328 5.431 1.00 0.00 H new ATOM 0 HA GLU A 118 121.444 7.577 5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 118 119.664 9.353 5.797 1.00 0.00 H new ATOM 0 HB3 GLU A 118 119.302 8.601 7.338 1.00 0.00 H new ATOM 0 HG2 GLU A 118 121.648 8.977 8.099 1.00 0.00 H new ATOM 0 HG3 GLU A 118 122.058 9.671 6.542 1.00 0.00 H new ATOM 1874 N LYS A 119 120.288 6.180 8.137 1.00 0.00 N ATOM 1875 CA LYS A 119 120.748 5.329 9.272 1.00 0.00 C ATOM 1876 C LYS A 119 121.283 4.006 8.723 1.00 0.00 C ATOM 1877 O LYS A 119 122.327 3.532 9.129 1.00 0.00 O ATOM 1878 CB LYS A 119 119.503 5.107 10.137 1.00 0.00 C ATOM 1879 CG LYS A 119 119.114 6.421 10.821 1.00 0.00 C ATOM 1880 CD LYS A 119 117.814 6.237 11.610 1.00 0.00 C ATOM 1881 CE LYS A 119 117.375 7.589 12.176 1.00 0.00 C ATOM 1882 NZ LYS A 119 118.402 7.925 13.199 1.00 0.00 N1+ ATOM 0 H LYS A 119 119.293 6.407 8.137 1.00 0.00 H new ATOM 0 HA LYS A 119 121.551 5.787 9.850 1.00 0.00 H new ATOM 0 HB2 LYS A 119 118.679 4.748 9.521 1.00 0.00 H new ATOM 0 HB3 LYS A 119 119.700 4.339 10.886 1.00 0.00 H new ATOM 0 HG2 LYS A 119 119.912 6.742 11.490 1.00 0.00 H new ATOM 0 HG3 LYS A 119 118.988 7.205 10.075 1.00 0.00 H new ATOM 0 HD2 LYS A 119 117.036 5.830 10.964 1.00 0.00 H new ATOM 0 HD3 LYS A 119 117.963 5.522 12.419 1.00 0.00 H new ATOM 0 HE2 LYS A 119 117.331 8.349 11.396 1.00 0.00 H new ATOM 0 HE3 LYS A 119 116.381 7.528 12.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 117.991 8.568 13.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 118.722 7.054 13.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 119.212 8.388 12.739 1.00 0.00 H new ATOM 1896 N ALA A 120 120.595 3.428 7.776 1.00 0.00 N ATOM 1897 CA ALA A 120 121.075 2.157 7.163 1.00 0.00 C ATOM 1898 C ALA A 120 122.466 2.356 6.572 1.00 0.00 C ATOM 1899 O ALA A 120 123.347 1.544 6.751 1.00 0.00 O ATOM 1900 CB ALA A 120 120.074 1.848 6.049 1.00 0.00 C ATOM 0 H ALA A 120 119.717 3.784 7.399 1.00 0.00 H new ATOM 0 HA ALA A 120 121.141 1.349 7.892 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.361 0.923 5.549 1.00 0.00 H new ATOM 0 HB2 ALA A 120 119.077 1.736 6.476 1.00 0.00 H new ATOM 0 HB3 ALA A 120 120.070 2.665 5.327 1.00 0.00 H new ATOM 1906 N GLY A 121 122.670 3.429 5.862 1.00 0.00 N ATOM 1907 CA GLY A 121 124.005 3.670 5.255 1.00 0.00 C ATOM 1908 C GLY A 121 125.054 3.830 6.354 1.00 0.00 C ATOM 1909 O GLY A 121 126.138 3.294 6.262 1.00 0.00 O ATOM 0 H GLY A 121 121.971 4.148 5.677 1.00 0.00 H new ATOM 0 HA2 GLY A 121 124.273 2.839 4.603 1.00 0.00 H new ATOM 0 HA3 GLY A 121 123.976 4.566 4.635 1.00 0.00 H new ATOM 1913 N MET A 122 124.746 4.550 7.402 1.00 0.00 N ATOM 1914 CA MET A 122 125.744 4.712 8.498 1.00 0.00 C ATOM 1915 C MET A 122 125.982 3.363 9.181 1.00 0.00 C ATOM 1916 O MET A 122 127.107 2.960 9.421 1.00 0.00 O ATOM 1917 CB MET A 122 125.115 5.713 9.465 1.00 0.00 C ATOM 1918 CG MET A 122 125.086 7.093 8.806 1.00 0.00 C ATOM 1919 SD MET A 122 124.331 8.290 9.933 1.00 0.00 S ATOM 1920 CE MET A 122 124.159 9.634 8.734 1.00 0.00 C ATOM 0 H MET A 122 123.856 5.028 7.545 1.00 0.00 H new ATOM 0 HA MET A 122 126.712 5.062 8.138 1.00 0.00 H new ATOM 0 HB2 MET A 122 124.104 5.400 9.726 1.00 0.00 H new ATOM 0 HB3 MET A 122 125.687 5.751 10.392 1.00 0.00 H new ATOM 0 HG2 MET A 122 126.098 7.407 8.552 1.00 0.00 H new ATOM 0 HG3 MET A 122 124.522 7.050 7.874 1.00 0.00 H new ATOM 0 HE1 MET A 122 123.327 10.276 9.023 1.00 0.00 H new ATOM 0 HE2 MET A 122 125.078 10.220 8.710 1.00 0.00 H new ATOM 0 HE3 MET A 122 123.969 9.217 7.745 1.00 0.00 H new ATOM 1930 N ALA A 123 124.928 2.650 9.476 1.00 0.00 N ATOM 1931 CA ALA A 123 125.103 1.322 10.122 1.00 0.00 C ATOM 1932 C ALA A 123 125.845 0.410 9.158 1.00 0.00 C ATOM 1933 O ALA A 123 126.774 -0.283 9.521 1.00 0.00 O ATOM 1934 CB ALA A 123 123.687 0.797 10.390 1.00 0.00 C ATOM 0 H ALA A 123 123.963 2.928 9.299 1.00 0.00 H new ATOM 0 HA ALA A 123 125.676 1.373 11.048 1.00 0.00 H new ATOM 0 HB1 ALA A 123 123.746 -0.182 10.867 1.00 0.00 H new ATOM 0 HB2 ALA A 123 123.160 1.489 11.047 1.00 0.00 H new ATOM 0 HB3 ALA A 123 123.147 0.709 9.447 1.00 0.00 H new ATOM 1940 N LEU A 124 125.450 0.426 7.922 1.00 0.00 N ATOM 1941 CA LEU A 124 126.132 -0.415 6.913 1.00 0.00 C ATOM 1942 C LEU A 124 127.588 0.037 6.810 1.00 0.00 C ATOM 1943 O LEU A 124 128.489 -0.765 6.664 1.00 0.00 O ATOM 1944 CB LEU A 124 125.386 -0.138 5.608 1.00 0.00 C ATOM 1945 CG LEU A 124 124.055 -0.892 5.615 1.00 0.00 C ATOM 1946 CD1 LEU A 124 123.154 -0.363 4.496 1.00 0.00 C ATOM 1947 CD2 LEU A 124 124.317 -2.381 5.392 1.00 0.00 C ATOM 0 H LEU A 124 124.678 0.990 7.566 1.00 0.00 H new ATOM 0 HA LEU A 124 126.128 -1.477 7.156 1.00 0.00 H new ATOM 0 HB2 LEU A 124 125.210 0.932 5.497 1.00 0.00 H new ATOM 0 HB3 LEU A 124 125.990 -0.452 4.757 1.00 0.00 H new ATOM 0 HG LEU A 124 123.561 -0.744 6.575 1.00 0.00 H new ATOM 0 HD11 LEU A 124 122.207 -0.903 4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 124 122.967 0.700 4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 124 123.645 -0.508 3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 124 123.371 -2.922 5.396 1.00 0.00 H new ATOM 0 HD22 LEU A 124 124.812 -2.523 4.431 1.00 0.00 H new ATOM 0 HD23 LEU A 124 124.956 -2.761 6.189 1.00 0.00 H new ATOM 1959 N ALA A 125 127.823 1.324 6.860 1.00 0.00 N ATOM 1960 CA ALA A 125 129.217 1.832 6.736 1.00 0.00 C ATOM 1961 C ALA A 125 130.125 1.178 7.776 1.00 0.00 C ATOM 1962 O ALA A 125 131.283 0.920 7.518 1.00 0.00 O ATOM 1963 CB ALA A 125 129.122 3.342 6.965 1.00 0.00 C ATOM 0 H ALA A 125 127.109 2.042 6.981 1.00 0.00 H new ATOM 0 HA ALA A 125 129.648 1.600 5.762 1.00 0.00 H new ATOM 0 HB1 ALA A 125 130.115 3.785 6.888 1.00 0.00 H new ATOM 0 HB2 ALA A 125 128.469 3.784 6.213 1.00 0.00 H new ATOM 0 HB3 ALA A 125 128.715 3.535 7.957 1.00 0.00 H new ATOM 1969 N LYS A 126 129.616 0.898 8.944 1.00 0.00 N ATOM 1970 CA LYS A 126 130.471 0.249 9.978 1.00 0.00 C ATOM 1971 C LYS A 126 130.921 -1.134 9.490 1.00 0.00 C ATOM 1972 O LYS A 126 132.063 -1.520 9.651 1.00 0.00 O ATOM 1973 CB LYS A 126 129.570 0.135 11.208 1.00 0.00 C ATOM 1974 CG LYS A 126 129.164 1.538 11.678 1.00 0.00 C ATOM 1975 CD LYS A 126 130.400 2.296 12.178 1.00 0.00 C ATOM 1976 CE LYS A 126 129.998 3.696 12.648 1.00 0.00 C ATOM 1977 NZ LYS A 126 131.272 4.327 13.097 1.00 0.00 N1+ ATOM 0 H LYS A 126 128.654 1.088 9.226 1.00 0.00 H new ATOM 0 HA LYS A 126 131.378 0.813 10.194 1.00 0.00 H new ATOM 0 HB2 LYS A 126 128.682 -0.451 10.969 1.00 0.00 H new ATOM 0 HB3 LYS A 126 130.093 -0.391 12.007 1.00 0.00 H new ATOM 0 HG2 LYS A 126 128.697 2.085 10.859 1.00 0.00 H new ATOM 0 HG3 LYS A 126 128.424 1.465 12.475 1.00 0.00 H new ATOM 0 HD2 LYS A 126 130.867 1.748 12.997 1.00 0.00 H new ATOM 0 HD3 LYS A 126 131.140 2.369 11.381 1.00 0.00 H new ATOM 0 HE2 LYS A 126 129.536 4.267 11.842 1.00 0.00 H new ATOM 0 HE3 LYS A 126 129.273 3.648 13.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 131.081 5.292 13.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 131.685 3.765 13.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 131.940 4.365 12.301 1.00 0.00 H new ATOM 1991 N TYR A 127 130.032 -1.873 8.879 1.00 0.00 N ATOM 1992 CA TYR A 127 130.400 -3.228 8.358 1.00 0.00 C ATOM 1993 C TYR A 127 131.177 -3.098 7.046 1.00 0.00 C ATOM 1994 O TYR A 127 132.096 -3.847 6.774 1.00 0.00 O ATOM 1995 CB TYR A 127 129.070 -3.953 8.139 1.00 0.00 C ATOM 1996 CG TYR A 127 128.471 -4.294 9.481 1.00 0.00 C ATOM 1997 CD1 TYR A 127 127.764 -3.322 10.194 1.00 0.00 C ATOM 1998 CD2 TYR A 127 128.633 -5.579 10.017 1.00 0.00 C ATOM 1999 CE1 TYR A 127 127.216 -3.629 11.442 1.00 0.00 C ATOM 2000 CE2 TYR A 127 128.086 -5.887 11.271 1.00 0.00 C ATOM 2001 CZ TYR A 127 127.376 -4.911 11.985 1.00 0.00 C ATOM 2002 OH TYR A 127 126.839 -5.213 13.225 1.00 0.00 O ATOM 0 H TYR A 127 129.063 -1.598 8.717 1.00 0.00 H new ATOM 0 HA TYR A 127 131.042 -3.774 9.049 1.00 0.00 H new ATOM 0 HB2 TYR A 127 128.386 -3.322 7.571 1.00 0.00 H new ATOM 0 HB3 TYR A 127 129.227 -4.860 7.555 1.00 0.00 H new ATOM 0 HD1 TYR A 127 127.641 -2.332 9.780 1.00 0.00 H new ATOM 0 HD2 TYR A 127 129.178 -6.331 9.465 1.00 0.00 H new ATOM 0 HE1 TYR A 127 126.668 -2.877 11.990 1.00 0.00 H new ATOM 0 HE2 TYR A 127 128.212 -6.876 11.687 1.00 0.00 H new ATOM 0 HH TYR A 127 127.041 -6.145 13.451 1.00 0.00 H new ATOM 2012 N PHE A 128 130.814 -2.147 6.234 1.00 0.00 N ATOM 2013 CA PHE A 128 131.525 -1.947 4.943 1.00 0.00 C ATOM 2014 C PHE A 128 131.962 -0.482 4.820 1.00 0.00 C ATOM 2015 O PHE A 128 131.196 0.356 4.381 1.00 0.00 O ATOM 2016 CB PHE A 128 130.518 -2.321 3.859 1.00 0.00 C ATOM 2017 CG PHE A 128 130.529 -3.817 3.667 1.00 0.00 C ATOM 2018 CD1 PHE A 128 131.674 -4.446 3.165 1.00 0.00 C ATOM 2019 CD2 PHE A 128 129.398 -4.576 3.992 1.00 0.00 C ATOM 2020 CE1 PHE A 128 131.689 -5.832 2.984 1.00 0.00 C ATOM 2021 CE2 PHE A 128 129.413 -5.965 3.810 1.00 0.00 C ATOM 2022 CZ PHE A 128 130.559 -6.593 3.306 1.00 0.00 C ATOM 0 H PHE A 128 130.050 -1.495 6.411 1.00 0.00 H new ATOM 0 HA PHE A 128 132.426 -2.555 4.861 1.00 0.00 H new ATOM 0 HB2 PHE A 128 129.520 -1.986 4.142 1.00 0.00 H new ATOM 0 HB3 PHE A 128 130.769 -1.820 2.924 1.00 0.00 H new ATOM 0 HD1 PHE A 128 132.547 -3.860 2.917 1.00 0.00 H new ATOM 0 HD2 PHE A 128 128.515 -4.091 4.382 1.00 0.00 H new ATOM 0 HE1 PHE A 128 132.573 -6.316 2.596 1.00 0.00 H new ATOM 0 HE2 PHE A 128 128.541 -6.552 4.058 1.00 0.00 H new ATOM 0 HZ PHE A 128 130.571 -7.664 3.166 1.00 0.00 H new ATOM 2032 N PRO A 129 133.190 -0.218 5.218 1.00 0.00 N ATOM 2033 CA PRO A 129 133.728 1.163 5.154 1.00 0.00 C ATOM 2034 C PRO A 129 133.896 1.598 3.701 1.00 0.00 C ATOM 2035 O PRO A 129 134.251 0.815 2.843 1.00 0.00 O ATOM 2036 CB PRO A 129 135.076 1.061 5.867 1.00 0.00 C ATOM 2037 CG PRO A 129 135.469 -0.374 5.742 1.00 0.00 C ATOM 2038 CD PRO A 129 134.193 -1.163 5.751 1.00 0.00 C ATOM 0 HA PRO A 129 133.074 1.904 5.614 1.00 0.00 H new ATOM 0 HB2 PRO A 129 135.817 1.715 5.407 1.00 0.00 H new ATOM 0 HB3 PRO A 129 134.994 1.358 6.912 1.00 0.00 H new ATOM 0 HG2 PRO A 129 136.026 -0.546 4.821 1.00 0.00 H new ATOM 0 HG3 PRO A 129 136.117 -0.673 6.566 1.00 0.00 H new ATOM 0 HD2 PRO A 129 134.271 -2.056 5.131 1.00 0.00 H new ATOM 0 HD3 PRO A 129 133.935 -1.495 6.757 1.00 0.00 H new ATOM 2046 N TRP A 130 133.645 2.849 3.417 1.00 0.00 N ATOM 2047 CA TRP A 130 133.784 3.342 2.023 1.00 0.00 C ATOM 2048 C TRP A 130 135.244 3.447 1.619 1.00 0.00 C ATOM 2049 O TRP A 130 136.052 4.047 2.301 1.00 0.00 O ATOM 2050 CB TRP A 130 133.182 4.741 2.027 1.00 0.00 C ATOM 2051 CG TRP A 130 133.101 5.209 0.612 1.00 0.00 C ATOM 2052 CD1 TRP A 130 132.200 4.772 -0.295 1.00 0.00 C ATOM 2053 CD2 TRP A 130 133.942 6.177 -0.080 1.00 0.00 C ATOM 2054 NE1 TRP A 130 132.435 5.406 -1.501 1.00 0.00 N ATOM 2055 CE2 TRP A 130 133.496 6.284 -1.419 1.00 0.00 C ATOM 2056 CE3 TRP A 130 135.037 6.965 0.317 1.00 0.00 C ATOM 2057 CZ2 TRP A 130 134.111 7.140 -2.330 1.00 0.00 C ATOM 2058 CZ3 TRP A 130 135.659 7.830 -0.598 1.00 0.00 C ATOM 2059 CH2 TRP A 130 135.197 7.917 -1.919 1.00 0.00 C ATOM 0 H TRP A 130 133.349 3.550 4.096 1.00 0.00 H new ATOM 0 HA TRP A 130 133.295 2.663 1.324 1.00 0.00 H new ATOM 0 HB2 TRP A 130 132.192 4.729 2.482 1.00 0.00 H new ATOM 0 HB3 TRP A 130 133.797 5.419 2.619 1.00 0.00 H new ATOM 0 HD1 TRP A 130 131.423 4.046 -0.108 1.00 0.00 H new ATOM 0 HE1 TRP A 130 131.890 5.244 -2.348 1.00 0.00 H new ATOM 0 HE3 TRP A 130 135.402 6.905 1.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 133.751 7.202 -3.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 136.498 8.432 -0.282 1.00 0.00 H new ATOM 0 HH2 TRP A 130 135.680 8.584 -2.618 1.00 0.00 H new ATOM 2070 N LYS A 131 135.576 2.906 0.491 1.00 0.00 N ATOM 2071 CA LYS A 131 136.973 3.004 0.008 1.00 0.00 C ATOM 2072 C LYS A 131 137.017 3.960 -1.192 1.00 0.00 C ATOM 2073 O LYS A 131 136.036 4.155 -1.876 1.00 0.00 O ATOM 2074 CB LYS A 131 137.355 1.584 -0.407 1.00 0.00 C ATOM 2075 CG LYS A 131 137.284 0.642 0.801 1.00 0.00 C ATOM 2076 CD LYS A 131 137.665 -0.772 0.347 1.00 0.00 C ATOM 2077 CE LYS A 131 137.596 -1.754 1.522 1.00 0.00 C ATOM 2078 NZ LYS A 131 137.964 -3.080 0.936 1.00 0.00 N1+ ATOM 0 H LYS A 131 134.939 2.397 -0.122 1.00 0.00 H new ATOM 0 HA LYS A 131 137.661 3.390 0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 131 136.684 1.233 -1.191 1.00 0.00 H new ATOM 0 HB3 LYS A 131 138.362 1.578 -0.824 1.00 0.00 H new ATOM 0 HG2 LYS A 131 137.961 0.982 1.585 1.00 0.00 H new ATOM 0 HG3 LYS A 131 136.279 0.645 1.224 1.00 0.00 H new ATOM 0 HD2 LYS A 131 136.993 -1.098 -0.446 1.00 0.00 H new ATOM 0 HD3 LYS A 131 138.672 -0.767 -0.071 1.00 0.00 H new ATOM 0 HE2 LYS A 131 138.285 -1.468 2.317 1.00 0.00 H new ATOM 0 HE3 LYS A 131 136.598 -1.778 1.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 137.940 -3.807 1.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 137.287 -3.328 0.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 138.922 -3.028 0.534 1.00 0.00 H new ATOM 2092 N LYS A 132 138.126 4.593 -1.425 1.00 0.00 N ATOM 2093 CA LYS A 132 138.203 5.571 -2.552 1.00 0.00 C ATOM 2094 C LYS A 132 137.926 4.903 -3.893 1.00 0.00 C ATOM 2095 O LYS A 132 137.369 5.512 -4.789 1.00 0.00 O ATOM 2096 CB LYS A 132 139.624 6.112 -2.510 1.00 0.00 C ATOM 2097 CG LYS A 132 139.794 6.976 -1.265 1.00 0.00 C ATOM 2098 CD LYS A 132 141.229 7.492 -1.198 1.00 0.00 C ATOM 2099 CE LYS A 132 141.382 8.400 0.023 1.00 0.00 C ATOM 2100 NZ LYS A 132 142.786 8.894 -0.037 1.00 0.00 N1+ ATOM 0 H LYS A 132 138.986 4.480 -0.888 1.00 0.00 H new ATOM 0 HA LYS A 132 137.456 6.357 -2.447 1.00 0.00 H new ATOM 0 HB2 LYS A 132 140.339 5.289 -2.497 1.00 0.00 H new ATOM 0 HB3 LYS A 132 139.829 6.699 -3.405 1.00 0.00 H new ATOM 0 HG2 LYS A 132 139.096 7.813 -1.291 1.00 0.00 H new ATOM 0 HG3 LYS A 132 139.562 6.396 -0.372 1.00 0.00 H new ATOM 0 HD2 LYS A 132 141.926 6.656 -1.134 1.00 0.00 H new ATOM 0 HD3 LYS A 132 141.473 8.041 -2.107 1.00 0.00 H new ATOM 0 HE2 LYS A 132 140.671 9.226 -0.008 1.00 0.00 H new ATOM 0 HE3 LYS A 132 141.195 7.853 0.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 142.967 9.525 0.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 143.440 8.086 0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 142.933 9.416 -0.924 1.00 0.00 H new ATOM 2114 N ASP A 133 138.299 3.665 -4.045 1.00 0.00 N ATOM 2115 CA ASP A 133 138.035 2.986 -5.339 1.00 0.00 C ATOM 2116 C ASP A 133 136.648 2.321 -5.332 1.00 0.00 C ATOM 2117 O ASP A 133 136.308 1.587 -6.239 1.00 0.00 O ATOM 2118 CB ASP A 133 139.157 1.969 -5.493 1.00 0.00 C ATOM 2119 CG ASP A 133 140.485 2.710 -5.670 1.00 0.00 C ATOM 2120 OD1 ASP A 133 140.452 3.864 -6.074 1.00 0.00 O1- ATOM 2121 OD2 ASP A 133 141.512 2.113 -5.398 1.00 0.00 O ATOM 0 H ASP A 133 138.770 3.100 -3.338 1.00 0.00 H new ATOM 0 HA ASP A 133 138.021 3.682 -6.178 1.00 0.00 H new ATOM 0 HB2 ASP A 133 139.201 1.322 -4.617 1.00 0.00 H new ATOM 0 HB3 ASP A 133 138.967 1.327 -6.353 1.00 0.00 H new ATOM 2126 N ASP A 134 135.846 2.578 -4.307 1.00 0.00 N ATOM 2127 CA ASP A 134 134.484 1.982 -4.215 1.00 0.00 C ATOM 2128 C ASP A 134 133.760 2.024 -5.563 1.00 0.00 C ATOM 2129 O ASP A 134 133.815 2.992 -6.289 1.00 0.00 O ATOM 2130 CB ASP A 134 133.753 2.875 -3.215 1.00 0.00 C ATOM 2131 CG ASP A 134 132.355 2.314 -2.942 1.00 0.00 C ATOM 2132 OD1 ASP A 134 131.943 1.409 -3.647 1.00 0.00 O ATOM 2133 OD2 ASP A 134 131.725 2.790 -2.020 1.00 0.00 O1- ATOM 0 H ASP A 134 136.095 3.186 -3.527 1.00 0.00 H new ATOM 0 HA ASP A 134 134.523 0.934 -3.917 1.00 0.00 H new ATOM 0 HB2 ASP A 134 134.319 2.934 -2.285 1.00 0.00 H new ATOM 0 HB3 ASP A 134 133.677 3.889 -3.607 1.00 0.00 H new ATOM 2138 N ILE A 135 133.107 0.965 -5.901 1.00 0.00 N ATOM 2139 CA ILE A 135 132.398 0.908 -7.227 1.00 0.00 C ATOM 2140 C ILE A 135 130.870 0.994 -7.051 1.00 0.00 C ATOM 2141 O ILE A 135 130.282 0.304 -6.244 1.00 0.00 O ATOM 2142 CB ILE A 135 132.824 -0.430 -7.937 1.00 0.00 C ATOM 2143 CG1 ILE A 135 131.959 -1.637 -7.469 1.00 0.00 C ATOM 2144 CG2 ILE A 135 134.312 -0.746 -7.674 1.00 0.00 C ATOM 2145 CD1 ILE A 135 132.185 -1.923 -5.981 1.00 0.00 C ATOM 0 H ILE A 135 133.023 0.126 -5.328 1.00 0.00 H new ATOM 0 HA ILE A 135 132.680 1.763 -7.842 1.00 0.00 H new ATOM 0 HB ILE A 135 132.665 -0.280 -9.005 1.00 0.00 H new ATOM 0 HG12 ILE A 135 130.905 -1.426 -7.647 1.00 0.00 H new ATOM 0 HG13 ILE A 135 132.211 -2.520 -8.056 1.00 0.00 H new ATOM 0 HG21 ILE A 135 134.581 -1.676 -8.176 1.00 0.00 H new ATOM 0 HG22 ILE A 135 134.930 0.066 -8.058 1.00 0.00 H new ATOM 0 HG23 ILE A 135 134.478 -0.851 -6.602 1.00 0.00 H new ATOM 0 HD11 ILE A 135 131.571 -2.770 -5.676 1.00 0.00 H new ATOM 0 HD12 ILE A 135 133.236 -2.157 -5.811 1.00 0.00 H new ATOM 0 HD13 ILE A 135 131.909 -1.046 -5.396 1.00 0.00 H new ATOM 2157 N ASP A 136 130.231 1.822 -7.827 1.00 0.00 N ATOM 2158 CA ASP A 136 128.751 1.941 -7.739 1.00 0.00 C ATOM 2159 C ASP A 136 128.121 1.398 -9.028 1.00 0.00 C ATOM 2160 O ASP A 136 128.083 2.079 -10.034 1.00 0.00 O ATOM 2161 CB ASP A 136 128.496 3.445 -7.593 1.00 0.00 C ATOM 2162 CG ASP A 136 127.001 3.709 -7.376 1.00 0.00 C ATOM 2163 OD1 ASP A 136 126.225 2.774 -7.481 1.00 0.00 O1- ATOM 2164 OD2 ASP A 136 126.659 4.848 -7.106 1.00 0.00 O ATOM 0 H ASP A 136 130.673 2.424 -8.522 1.00 0.00 H new ATOM 0 HA ASP A 136 128.321 1.377 -6.911 1.00 0.00 H new ATOM 0 HB2 ASP A 136 129.068 3.839 -6.753 1.00 0.00 H new ATOM 0 HB3 ASP A 136 128.840 3.968 -8.485 1.00 0.00 H new ATOM 2169 N GLU A 137 127.634 0.180 -9.022 1.00 0.00 N ATOM 2170 CA GLU A 137 127.031 -0.367 -10.279 1.00 0.00 C ATOM 2171 C GLU A 137 125.508 -0.249 -10.268 1.00 0.00 C ATOM 2172 O GLU A 137 124.863 -0.385 -11.289 1.00 0.00 O ATOM 2173 CB GLU A 137 127.449 -1.828 -10.354 1.00 0.00 C ATOM 2174 CG GLU A 137 128.951 -1.926 -10.606 1.00 0.00 C ATOM 2175 CD GLU A 137 129.389 -3.397 -10.576 1.00 0.00 C ATOM 2176 OE1 GLU A 137 128.539 -4.262 -10.403 1.00 0.00 O1- ATOM 2177 OE2 GLU A 137 130.573 -3.636 -10.730 1.00 0.00 O ATOM 0 H GLU A 137 127.627 -0.448 -8.219 1.00 0.00 H new ATOM 0 HA GLU A 137 127.378 0.196 -11.145 1.00 0.00 H new ATOM 0 HB2 GLU A 137 127.193 -2.337 -9.424 1.00 0.00 H new ATOM 0 HB3 GLU A 137 126.904 -2.331 -11.153 1.00 0.00 H new ATOM 0 HG2 GLU A 137 129.197 -1.484 -11.571 1.00 0.00 H new ATOM 0 HG3 GLU A 137 129.494 -1.360 -9.849 1.00 0.00 H new ATOM 2184 N LEU A 138 124.925 -0.011 -9.127 1.00 0.00 N ATOM 2185 CA LEU A 138 123.442 0.102 -9.065 1.00 0.00 C ATOM 2186 C LEU A 138 123.011 1.572 -9.164 1.00 0.00 C ATOM 2187 O LEU A 138 123.677 2.441 -8.638 1.00 0.00 O ATOM 2188 CB LEU A 138 123.043 -0.472 -7.704 1.00 0.00 C ATOM 2189 CG LEU A 138 122.388 -1.842 -7.895 1.00 0.00 C ATOM 2190 CD1 LEU A 138 123.403 -2.804 -8.518 1.00 0.00 C ATOM 2191 CD2 LEU A 138 121.926 -2.388 -6.537 1.00 0.00 C ATOM 0 H LEU A 138 125.409 0.110 -8.237 1.00 0.00 H new ATOM 0 HA LEU A 138 122.964 -0.430 -9.888 1.00 0.00 H new ATOM 0 HB2 LEU A 138 123.922 -0.564 -7.065 1.00 0.00 H new ATOM 0 HB3 LEU A 138 122.353 0.205 -7.201 1.00 0.00 H new ATOM 0 HG LEU A 138 121.525 -1.745 -8.553 1.00 0.00 H new ATOM 0 HD11 LEU A 138 122.941 -3.781 -8.656 1.00 0.00 H new ATOM 0 HD12 LEU A 138 123.727 -2.416 -9.484 1.00 0.00 H new ATOM 0 HD13 LEU A 138 124.265 -2.900 -7.858 1.00 0.00 H new ATOM 0 HD21 LEU A 138 121.460 -3.363 -6.676 1.00 0.00 H new ATOM 0 HD22 LEU A 138 122.785 -2.488 -5.874 1.00 0.00 H new ATOM 0 HD23 LEU A 138 121.204 -1.701 -6.095 1.00 0.00 H new ATOM 2203 N PRO A 139 121.901 1.805 -9.822 1.00 0.00 N ATOM 2204 CA PRO A 139 121.387 3.186 -9.960 1.00 0.00 C ATOM 2205 C PRO A 139 120.828 3.651 -8.617 1.00 0.00 C ATOM 2206 O PRO A 139 120.658 2.852 -7.714 1.00 0.00 O ATOM 2207 CB PRO A 139 120.281 3.062 -11.001 1.00 0.00 C ATOM 2208 CG PRO A 139 119.829 1.640 -10.910 1.00 0.00 C ATOM 2209 CD PRO A 139 121.023 0.831 -10.494 1.00 0.00 C ATOM 0 HA PRO A 139 122.146 3.910 -10.255 1.00 0.00 H new ATOM 0 HB2 PRO A 139 119.463 3.751 -10.793 1.00 0.00 H new ATOM 0 HB3 PRO A 139 120.649 3.297 -12.000 1.00 0.00 H new ATOM 0 HG2 PRO A 139 119.021 1.537 -10.186 1.00 0.00 H new ATOM 0 HG3 PRO A 139 119.443 1.295 -11.869 1.00 0.00 H new ATOM 0 HD2 PRO A 139 120.741 0.020 -9.823 1.00 0.00 H new ATOM 0 HD3 PRO A 139 121.516 0.377 -11.354 1.00 0.00 H new ATOM 2217 N ASN A 140 120.511 4.906 -8.467 1.00 0.00 N ATOM 2218 CA ASN A 140 119.935 5.367 -7.172 1.00 0.00 C ATOM 2219 C ASN A 140 118.445 5.734 -7.348 1.00 0.00 C ATOM 2220 O ASN A 140 117.832 6.291 -6.459 1.00 0.00 O ATOM 2221 CB ASN A 140 120.772 6.586 -6.781 1.00 0.00 C ATOM 2222 CG ASN A 140 122.193 6.137 -6.425 1.00 0.00 C ATOM 2223 OD1 ASN A 140 122.447 5.686 -5.324 1.00 0.00 O ATOM 2224 ND2 ASN A 140 123.133 6.236 -7.323 1.00 0.00 N ATOM 0 H ASN A 140 120.624 5.628 -9.178 1.00 0.00 H new ATOM 0 HA ASN A 140 119.968 4.598 -6.401 1.00 0.00 H new ATOM 0 HB2 ASN A 140 120.800 7.300 -7.604 1.00 0.00 H new ATOM 0 HB3 ASN A 140 120.317 7.096 -5.932 1.00 0.00 H new ATOM 0 HD21 ASN A 140 124.082 5.935 -7.103 1.00 0.00 H new ATOM 0 HD22 ASN A 140 122.919 6.614 -8.246 1.00 0.00 H new ATOM 2231 N THR A 141 117.864 5.438 -8.492 1.00 0.00 N ATOM 2232 CA THR A 141 116.429 5.779 -8.729 1.00 0.00 C ATOM 2233 C THR A 141 115.505 4.956 -7.827 1.00 0.00 C ATOM 2234 O THR A 141 115.907 3.983 -7.222 1.00 0.00 O ATOM 2235 CB THR A 141 116.189 5.407 -10.193 1.00 0.00 C ATOM 2236 OG1 THR A 141 116.763 4.133 -10.457 1.00 0.00 O ATOM 2237 CG2 THR A 141 116.824 6.459 -11.103 1.00 0.00 C ATOM 0 H THR A 141 118.329 4.973 -9.272 1.00 0.00 H new ATOM 0 HA THR A 141 116.221 6.827 -8.511 1.00 0.00 H new ATOM 0 HB THR A 141 115.117 5.368 -10.387 1.00 0.00 H new ATOM 0 HG1 THR A 141 116.608 3.892 -11.394 1.00 0.00 H new ATOM 0 HG21 THR A 141 116.651 6.191 -12.145 1.00 0.00 H new ATOM 0 HG22 THR A 141 116.378 7.433 -10.900 1.00 0.00 H new ATOM 0 HG23 THR A 141 117.896 6.505 -10.913 1.00 0.00 H new ATOM 2245 N ILE A 142 114.261 5.348 -7.744 1.00 0.00 N ATOM 2246 CA ILE A 142 113.286 4.604 -6.893 1.00 0.00 C ATOM 2247 C ILE A 142 112.595 3.497 -7.711 1.00 0.00 C ATOM 2248 O ILE A 142 112.168 3.717 -8.826 1.00 0.00 O ATOM 2249 CB ILE A 142 112.270 5.664 -6.444 1.00 0.00 C ATOM 2250 CG1 ILE A 142 112.959 6.686 -5.529 1.00 0.00 C ATOM 2251 CG2 ILE A 142 111.118 5.000 -5.687 1.00 0.00 C ATOM 2252 CD1 ILE A 142 112.004 7.853 -5.261 1.00 0.00 C ATOM 0 H ILE A 142 113.876 6.157 -8.232 1.00 0.00 H new ATOM 0 HA ILE A 142 113.765 4.112 -6.046 1.00 0.00 H new ATOM 0 HB ILE A 142 111.875 6.170 -7.325 1.00 0.00 H new ATOM 0 HG12 ILE A 142 113.247 6.214 -4.590 1.00 0.00 H new ATOM 0 HG13 ILE A 142 113.874 7.050 -5.996 1.00 0.00 H new ATOM 0 HG21 ILE A 142 110.403 5.760 -5.373 1.00 0.00 H new ATOM 0 HG22 ILE A 142 110.621 4.281 -6.339 1.00 0.00 H new ATOM 0 HG23 ILE A 142 111.508 4.485 -4.810 1.00 0.00 H new ATOM 0 HD11 ILE A 142 112.491 8.580 -4.611 1.00 0.00 H new ATOM 0 HD12 ILE A 142 111.739 8.330 -6.204 1.00 0.00 H new ATOM 0 HD13 ILE A 142 111.102 7.481 -4.776 1.00 0.00 H new ATOM 2264 N SER A 143 112.450 2.321 -7.149 1.00 0.00 N ATOM 2265 CA SER A 143 111.749 1.216 -7.883 1.00 0.00 C ATOM 2266 C SER A 143 110.250 1.277 -7.592 1.00 0.00 C ATOM 2267 O SER A 143 109.836 1.488 -6.469 1.00 0.00 O ATOM 2268 CB SER A 143 112.330 -0.090 -7.339 1.00 0.00 C ATOM 2269 OG SER A 143 113.744 0.009 -7.267 1.00 0.00 O ATOM 0 H SER A 143 112.785 2.077 -6.217 1.00 0.00 H new ATOM 0 HA SER A 143 111.888 1.297 -8.961 1.00 0.00 H new ATOM 0 HB2 SER A 143 111.920 -0.298 -6.351 1.00 0.00 H new ATOM 0 HB3 SER A 143 112.046 -0.922 -7.984 1.00 0.00 H new ATOM 0 HG SER A 143 114.113 -0.828 -6.917 1.00 0.00 H new ATOM 2275 N LYS A 144 109.429 1.102 -8.592 1.00 0.00 N ATOM 2276 CA LYS A 144 107.961 1.161 -8.354 1.00 0.00 C ATOM 2277 C LYS A 144 107.255 -0.020 -9.029 1.00 0.00 C ATOM 2278 O LYS A 144 107.675 -0.496 -10.065 1.00 0.00 O ATOM 2279 CB LYS A 144 107.531 2.490 -8.971 1.00 0.00 C ATOM 2280 CG LYS A 144 108.178 3.632 -8.183 1.00 0.00 C ATOM 2281 CD LYS A 144 107.760 4.972 -8.780 1.00 0.00 C ATOM 2282 CE LYS A 144 108.386 6.110 -7.967 1.00 0.00 C ATOM 2283 NZ LYS A 144 107.893 7.376 -8.591 1.00 0.00 N1+ ATOM 0 H LYS A 144 109.710 0.922 -9.556 1.00 0.00 H new ATOM 0 HA LYS A 144 107.704 1.098 -7.297 1.00 0.00 H new ATOM 0 HB2 LYS A 144 107.833 2.535 -10.017 1.00 0.00 H new ATOM 0 HB3 LYS A 144 106.445 2.583 -8.948 1.00 0.00 H new ATOM 0 HG2 LYS A 144 107.878 3.580 -7.136 1.00 0.00 H new ATOM 0 HG3 LYS A 144 109.263 3.535 -8.208 1.00 0.00 H new ATOM 0 HD2 LYS A 144 108.080 5.035 -9.820 1.00 0.00 H new ATOM 0 HD3 LYS A 144 106.674 5.062 -8.775 1.00 0.00 H new ATOM 0 HE2 LYS A 144 108.091 6.050 -6.919 1.00 0.00 H new ATOM 0 HE3 LYS A 144 109.474 6.058 -7.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 108.365 8.189 -8.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 108.106 7.367 -9.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 106.865 7.454 -8.453 1.00 0.00 H new ATOM 2297 N GLY A 145 106.190 -0.502 -8.447 1.00 0.00 N ATOM 2298 CA GLY A 145 105.467 -1.659 -9.052 1.00 0.00 C ATOM 2299 C GLY A 145 104.384 -1.154 -10.008 1.00 0.00 C ATOM 2300 O GLY A 145 103.900 -1.952 -10.794 1.00 0.00 O ATOM 2301 OXT GLY A 145 104.057 0.019 -9.937 1.00 0.00 O ATOM 0 H GLY A 145 105.789 -0.145 -7.579 1.00 0.00 H new ATOM 0 HA2 GLY A 145 106.169 -2.297 -9.588 1.00 0.00 H new ATOM 0 HA3 GLY A 145 105.017 -2.268 -8.268 1.00 0.00 H new