USER MOD reduce.3.24.130724 H: found=0, std=0, add=1073, rem=0, adj=24 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 34 HIS : no HD1:sc= 0.209 K(o=0.91,f=-10!) USER MOD Set 1.2: A 143 SER OG : rot -111:sc= 0.697 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0106 K(o=-0.011,f=-1.7!) USER MOD Single : A 27 THR OG1 : rot -170:sc= 0.13 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0158 USER MOD Single : A 48 MET CE :methyl 137:sc= -0.187 (180deg=-1.13) USER MOD Single : A 52 HIS : no HD1:sc= -0.457 X(o=-0.46,f=-0.0069) USER MOD Single : A 53 ASN : amide:sc= -1.65! C(o=-1.7!,f=-3.8!) USER MOD Single : A 55 LYS NZ :NH3+ 155:sc= -0.0598 (180deg=-0.943) USER MOD Single : A 56 MET CE :methyl 169:sc= -1.92 (180deg=-2.88) USER MOD Single : A 58 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.19) USER MOD Single : A 59 THR OG1 : rot -160:sc= -1.52! USER MOD Single : A 60 LYS NZ :NH3+ -155:sc= -0.0535 (180deg=-0.799) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 63 ASN : amide:sc= -5.44! C(o=-5.4!,f=-11!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0.281 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -123:sc=-0.00174 (180deg=-0.191) USER MOD Single : A 85 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.7!) USER MOD Single : A 89 SER OG : rot -170:sc= -0.126 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0547 USER MOD Single : A 98 ASN : amide:sc= -0.0285 K(o=-0.028,f=-2!) USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 103 GLN : amide:sc= -0.465 K(o=-0.46,f=-1.5) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 108 ASN : amide:sc= -0.0294 K(o=-0.029,f=-1.9!) USER MOD Single : A 110 LYS NZ :NH3+ -155:sc= -0.853 (180deg=-1.5!) USER MOD Single : A 111 GLN : amide:sc= -0.241 K(o=-0.24,f=-1.7!) USER MOD Single : A 119 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.454) USER MOD Single : A 122 MET CE :methyl -143:sc= -0.109 (180deg=-0.82) 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= -3.51 X(o=-3.5,f=-3.4!) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ -152:sc= -0.197 (180deg=-1.33!) USER MOD ----------------------------------------------------------------- ATOM 141 N THR A 9 105.682 13.591 -4.621 1.00 0.00 N ATOM 142 CA THR A 9 105.797 14.477 -5.814 1.00 0.00 C ATOM 143 C THR A 9 107.245 14.457 -6.333 1.00 0.00 C ATOM 144 O THR A 9 108.135 13.938 -5.688 1.00 0.00 O ATOM 145 CB THR A 9 105.392 15.872 -5.330 1.00 0.00 C ATOM 146 OG1 THR A 9 106.314 16.321 -4.348 1.00 0.00 O ATOM 147 CG2 THR A 9 103.983 15.823 -4.728 1.00 0.00 C ATOM 0 HA THR A 9 105.162 14.155 -6.639 1.00 0.00 H new ATOM 0 HB THR A 9 105.398 16.561 -6.175 1.00 0.00 H new ATOM 0 HG1 THR A 9 106.055 17.214 -4.040 1.00 0.00 H new ATOM 0 HG21 THR A 9 103.699 16.818 -4.385 1.00 0.00 H new ATOM 0 HG22 THR A 9 103.275 15.485 -5.485 1.00 0.00 H new ATOM 0 HG23 THR A 9 103.971 15.132 -3.885 1.00 0.00 H new ATOM 155 N ALA A 10 107.488 15.005 -7.497 1.00 0.00 N ATOM 156 CA ALA A 10 108.877 15.000 -8.054 1.00 0.00 C ATOM 157 C ALA A 10 109.847 15.603 -7.039 1.00 0.00 C ATOM 158 O ALA A 10 110.942 15.114 -6.842 1.00 0.00 O ATOM 159 CB ALA A 10 108.805 15.885 -9.298 1.00 0.00 C ATOM 0 H ALA A 10 106.787 15.455 -8.085 1.00 0.00 H new ATOM 0 HA ALA A 10 109.228 13.994 -8.283 1.00 0.00 H new ATOM 0 HB1 ALA A 10 109.788 15.934 -9.767 1.00 0.00 H new ATOM 0 HB2 ALA A 10 108.087 15.465 -10.002 1.00 0.00 H new ATOM 0 HB3 ALA A 10 108.489 16.888 -9.013 1.00 0.00 H new ATOM 165 N GLU A 11 109.437 16.645 -6.379 1.00 0.00 N ATOM 166 CA GLU A 11 110.312 17.276 -5.354 1.00 0.00 C ATOM 167 C GLU A 11 110.619 16.268 -4.244 1.00 0.00 C ATOM 168 O GLU A 11 111.743 16.146 -3.799 1.00 0.00 O ATOM 169 CB GLU A 11 109.483 18.440 -4.810 1.00 0.00 C ATOM 170 CG GLU A 11 110.311 19.232 -3.795 1.00 0.00 C ATOM 171 CD GLU A 11 109.518 20.453 -3.316 1.00 0.00 C ATOM 172 OE1 GLU A 11 108.325 20.504 -3.571 1.00 0.00 O ATOM 173 OE2 GLU A 11 110.119 21.320 -2.703 1.00 0.00 O1- ATOM 0 H GLU A 11 108.528 17.091 -6.505 1.00 0.00 H new ATOM 0 HA GLU A 11 111.269 17.607 -5.758 1.00 0.00 H new ATOM 0 HB2 GLU A 11 109.172 19.091 -5.627 1.00 0.00 H new ATOM 0 HB3 GLU A 11 108.575 18.064 -4.339 1.00 0.00 H new ATOM 0 HG2 GLU A 11 110.567 18.597 -2.946 1.00 0.00 H new ATOM 0 HG3 GLU A 11 111.249 19.552 -4.248 1.00 0.00 H new ATOM 180 N GLU A 12 109.631 15.543 -3.797 1.00 0.00 N ATOM 181 CA GLU A 12 109.860 14.540 -2.714 1.00 0.00 C ATOM 182 C GLU A 12 110.699 13.362 -3.224 1.00 0.00 C ATOM 183 O GLU A 12 111.643 12.938 -2.588 1.00 0.00 O ATOM 184 CB GLU A 12 108.455 14.078 -2.335 1.00 0.00 C ATOM 185 CG GLU A 12 107.701 15.256 -1.712 1.00 0.00 C ATOM 186 CD GLU A 12 106.238 14.880 -1.465 1.00 0.00 C ATOM 187 OE1 GLU A 12 105.870 13.752 -1.760 1.00 0.00 O ATOM 188 OE2 GLU A 12 105.504 15.729 -0.988 1.00 0.00 O1- ATOM 0 H GLU A 12 108.670 15.601 -4.135 1.00 0.00 H new ATOM 0 HA GLU A 12 110.409 14.957 -1.870 1.00 0.00 H new ATOM 0 HB2 GLU A 12 107.926 13.715 -3.216 1.00 0.00 H new ATOM 0 HB3 GLU A 12 108.508 13.248 -1.630 1.00 0.00 H new ATOM 0 HG2 GLU A 12 108.173 15.543 -0.772 1.00 0.00 H new ATOM 0 HG3 GLU A 12 107.755 16.121 -2.373 1.00 0.00 H new ATOM 195 N GLU A 13 110.373 12.843 -4.377 1.00 0.00 N ATOM 196 CA GLU A 13 111.162 11.710 -4.940 1.00 0.00 C ATOM 197 C GLU A 13 112.575 12.186 -5.285 1.00 0.00 C ATOM 198 O GLU A 13 113.538 11.456 -5.161 1.00 0.00 O ATOM 199 CB GLU A 13 110.405 11.290 -6.200 1.00 0.00 C ATOM 200 CG GLU A 13 109.048 10.693 -5.805 1.00 0.00 C ATOM 201 CD GLU A 13 108.250 10.327 -7.062 1.00 0.00 C ATOM 202 OE1 GLU A 13 108.790 10.455 -8.151 1.00 0.00 O ATOM 203 OE2 GLU A 13 107.107 9.927 -6.915 1.00 0.00 O1- ATOM 0 H GLU A 13 109.592 13.156 -4.954 1.00 0.00 H new ATOM 0 HA GLU A 13 111.267 10.881 -4.240 1.00 0.00 H new ATOM 0 HB2 GLU A 13 110.260 12.150 -6.854 1.00 0.00 H new ATOM 0 HB3 GLU A 13 110.987 10.558 -6.760 1.00 0.00 H new ATOM 0 HG2 GLU A 13 109.197 9.807 -5.188 1.00 0.00 H new ATOM 0 HG3 GLU A 13 108.487 11.409 -5.204 1.00 0.00 H new ATOM 210 N LYS A 14 112.712 13.408 -5.718 1.00 0.00 N ATOM 211 CA LYS A 14 114.066 13.926 -6.059 1.00 0.00 C ATOM 212 C LYS A 14 114.950 13.972 -4.810 1.00 0.00 C ATOM 213 O LYS A 14 116.095 13.568 -4.833 1.00 0.00 O ATOM 214 CB LYS A 14 113.826 15.339 -6.601 1.00 0.00 C ATOM 215 CG LYS A 14 115.161 15.967 -7.015 1.00 0.00 C ATOM 216 CD LYS A 14 114.914 17.356 -7.615 1.00 0.00 C ATOM 217 CE LYS A 14 116.250 17.973 -8.040 1.00 0.00 C ATOM 218 NZ LYS A 14 115.895 19.283 -8.659 1.00 0.00 N1+ ATOM 0 H LYS A 14 111.947 14.069 -5.850 1.00 0.00 H new ATOM 0 HA LYS A 14 114.578 13.293 -6.783 1.00 0.00 H new ATOM 0 HB2 LYS A 14 113.150 15.301 -7.455 1.00 0.00 H new ATOM 0 HB3 LYS A 14 113.344 15.954 -5.841 1.00 0.00 H new ATOM 0 HG2 LYS A 14 115.821 16.046 -6.151 1.00 0.00 H new ATOM 0 HG3 LYS A 14 115.664 15.330 -7.743 1.00 0.00 H new ATOM 0 HD2 LYS A 14 114.247 17.280 -8.474 1.00 0.00 H new ATOM 0 HD3 LYS A 14 114.421 17.997 -6.884 1.00 0.00 H new ATOM 0 HE2 LYS A 14 116.912 18.108 -7.184 1.00 0.00 H new ATOM 0 HE3 LYS A 14 116.773 17.331 -8.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 116.761 19.764 -8.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 115.271 19.123 -9.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 115.405 19.876 -7.959 1.00 0.00 H new ATOM 232 N ALA A 15 114.436 14.481 -3.721 1.00 0.00 N ATOM 233 CA ALA A 15 115.265 14.570 -2.486 1.00 0.00 C ATOM 234 C ALA A 15 115.640 13.181 -1.962 1.00 0.00 C ATOM 235 O ALA A 15 116.758 12.961 -1.540 1.00 0.00 O ATOM 236 CB ALA A 15 114.399 15.307 -1.467 1.00 0.00 C ATOM 0 H ALA A 15 113.484 14.837 -3.635 1.00 0.00 H new ATOM 0 HA ALA A 15 116.204 15.088 -2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 15 114.947 15.409 -0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 15 114.148 16.296 -1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 15 113.483 14.743 -1.292 1.00 0.00 H new ATOM 242 N ILE A 16 114.727 12.243 -1.966 1.00 0.00 N ATOM 243 CA ILE A 16 115.075 10.891 -1.441 1.00 0.00 C ATOM 244 C ILE A 16 116.082 10.195 -2.369 1.00 0.00 C ATOM 245 O ILE A 16 117.012 9.556 -1.920 1.00 0.00 O ATOM 246 CB ILE A 16 113.753 10.119 -1.335 1.00 0.00 C ATOM 247 CG1 ILE A 16 113.996 8.833 -0.545 1.00 0.00 C ATOM 248 CG2 ILE A 16 113.214 9.767 -2.724 1.00 0.00 C ATOM 249 CD1 ILE A 16 112.659 8.253 -0.074 1.00 0.00 C ATOM 0 H ILE A 16 113.771 12.353 -2.304 1.00 0.00 H new ATOM 0 HA ILE A 16 115.558 10.946 -0.465 1.00 0.00 H new ATOM 0 HB ILE A 16 113.017 10.744 -0.829 1.00 0.00 H new ATOM 0 HG12 ILE A 16 114.519 8.107 -1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 16 114.636 9.038 0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 16 112.277 9.220 -2.623 1.00 0.00 H new ATOM 0 HG22 ILE A 16 113.041 10.682 -3.290 1.00 0.00 H new ATOM 0 HG23 ILE A 16 113.940 9.147 -3.250 1.00 0.00 H new ATOM 0 HD11 ILE A 16 112.838 7.337 0.488 1.00 0.00 H new ATOM 0 HD12 ILE A 16 112.153 8.977 0.564 1.00 0.00 H new ATOM 0 HD13 ILE A 16 112.034 8.032 -0.939 1.00 0.00 H new ATOM 261 N VAL A 17 115.921 10.342 -3.658 1.00 0.00 N ATOM 262 CA VAL A 17 116.883 9.715 -4.607 1.00 0.00 C ATOM 263 C VAL A 17 118.258 10.347 -4.390 1.00 0.00 C ATOM 264 O VAL A 17 119.269 9.672 -4.416 1.00 0.00 O ATOM 265 CB VAL A 17 116.340 10.027 -6.002 1.00 0.00 C ATOM 266 CG1 VAL A 17 117.332 9.548 -7.069 1.00 0.00 C ATOM 267 CG2 VAL A 17 115.005 9.305 -6.193 1.00 0.00 C ATOM 0 H VAL A 17 115.164 10.870 -4.093 1.00 0.00 H new ATOM 0 HA VAL A 17 116.988 8.639 -4.469 1.00 0.00 H new ATOM 0 HB VAL A 17 116.199 11.103 -6.102 1.00 0.00 H new ATOM 0 HG11 VAL A 17 116.938 9.774 -8.060 1.00 0.00 H new ATOM 0 HG12 VAL A 17 118.286 10.057 -6.933 1.00 0.00 H new ATOM 0 HG13 VAL A 17 117.478 8.472 -6.973 1.00 0.00 H new ATOM 0 HG21 VAL A 17 114.612 9.523 -7.186 1.00 0.00 H new ATOM 0 HG22 VAL A 17 115.155 8.230 -6.090 1.00 0.00 H new ATOM 0 HG23 VAL A 17 114.296 9.646 -5.439 1.00 0.00 H new ATOM 277 N ASP A 18 118.310 11.636 -4.203 1.00 0.00 N ATOM 278 CA ASP A 18 119.631 12.287 -4.011 1.00 0.00 C ATOM 279 C ASP A 18 120.306 11.711 -2.765 1.00 0.00 C ATOM 280 O ASP A 18 121.493 11.460 -2.742 1.00 0.00 O ATOM 281 CB ASP A 18 119.350 13.779 -3.831 1.00 0.00 C ATOM 282 CG ASP A 18 120.672 14.537 -3.667 1.00 0.00 C ATOM 283 OD1 ASP A 18 121.706 13.890 -3.570 1.00 0.00 O1- ATOM 284 OD2 ASP A 18 120.633 15.755 -3.639 1.00 0.00 O ATOM 0 H ASP A 18 117.503 12.260 -4.175 1.00 0.00 H new ATOM 0 HA ASP A 18 120.297 12.117 -4.857 1.00 0.00 H new ATOM 0 HB2 ASP A 18 118.804 14.163 -4.693 1.00 0.00 H new ATOM 0 HB3 ASP A 18 118.718 13.937 -2.957 1.00 0.00 H new ATOM 289 N ALA A 19 119.547 11.492 -1.731 1.00 0.00 N ATOM 290 CA ALA A 19 120.128 10.922 -0.485 1.00 0.00 C ATOM 291 C ALA A 19 120.715 9.542 -0.785 1.00 0.00 C ATOM 292 O ALA A 19 121.738 9.160 -0.251 1.00 0.00 O ATOM 293 CB ALA A 19 118.950 10.820 0.478 1.00 0.00 C ATOM 0 H ALA A 19 118.546 11.684 -1.694 1.00 0.00 H new ATOM 0 HA ALA A 19 120.933 11.528 -0.070 1.00 0.00 H new ATOM 0 HB1 ALA A 19 119.291 10.407 1.427 1.00 0.00 H new ATOM 0 HB2 ALA A 19 118.529 11.812 0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 19 118.187 10.169 0.052 1.00 0.00 H new ATOM 299 N ILE A 20 120.082 8.800 -1.650 1.00 0.00 N ATOM 300 CA ILE A 20 120.606 7.454 -2.006 1.00 0.00 C ATOM 301 C ILE A 20 121.979 7.620 -2.664 1.00 0.00 C ATOM 302 O ILE A 20 122.902 6.875 -2.407 1.00 0.00 O ATOM 303 CB ILE A 20 119.596 6.871 -2.999 1.00 0.00 C ATOM 304 CG1 ILE A 20 118.265 6.606 -2.288 1.00 0.00 C ATOM 305 CG2 ILE A 20 120.135 5.559 -3.578 1.00 0.00 C ATOM 306 CD1 ILE A 20 118.485 5.649 -1.113 1.00 0.00 C ATOM 0 H ILE A 20 119.222 9.070 -2.127 1.00 0.00 H new ATOM 0 HA ILE A 20 120.725 6.802 -1.141 1.00 0.00 H new ATOM 0 HB ILE A 20 119.439 7.585 -3.807 1.00 0.00 H new ATOM 0 HG12 ILE A 20 117.841 7.544 -1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 20 117.547 6.178 -2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 20 119.413 5.149 -4.284 1.00 0.00 H new ATOM 0 HG22 ILE A 20 121.077 5.748 -4.092 1.00 0.00 H new ATOM 0 HG23 ILE A 20 120.299 4.845 -2.771 1.00 0.00 H new ATOM 0 HD11 ILE A 20 117.535 5.464 -0.611 1.00 0.00 H new ATOM 0 HD12 ILE A 20 118.890 4.707 -1.482 1.00 0.00 H new ATOM 0 HD13 ILE A 20 119.187 6.094 -0.408 1.00 0.00 H new ATOM 318 N ARG A 21 122.100 8.593 -3.522 1.00 0.00 N ATOM 319 CA ARG A 21 123.392 8.831 -4.222 1.00 0.00 C ATOM 320 C ARG A 21 124.502 9.094 -3.200 1.00 0.00 C ATOM 321 O ARG A 21 125.598 8.581 -3.318 1.00 0.00 O ATOM 322 CB ARG A 21 123.134 10.079 -5.072 1.00 0.00 C ATOM 323 CG ARG A 21 122.197 9.709 -6.226 1.00 0.00 C ATOM 324 CD ARG A 21 121.852 10.957 -7.044 1.00 0.00 C ATOM 325 NE ARG A 21 120.978 10.456 -8.141 1.00 0.00 N ATOM 326 CZ ARG A 21 120.774 11.187 -9.203 1.00 0.00 C ATOM 327 NH1 ARG A 21 119.823 12.078 -9.207 1.00 0.00 N1+ ATOM 328 NH2 ARG A 21 121.520 11.026 -10.264 1.00 0.00 N ATOM 0 H ARG A 21 121.352 9.240 -3.771 1.00 0.00 H new ATOM 0 HA ARG A 21 123.713 7.980 -4.822 1.00 0.00 H new ATOM 0 HB2 ARG A 21 122.689 10.865 -4.462 1.00 0.00 H new ATOM 0 HB3 ARG A 21 124.074 10.471 -5.461 1.00 0.00 H new ATOM 0 HG2 ARG A 21 122.671 8.965 -6.866 1.00 0.00 H new ATOM 0 HG3 ARG A 21 121.285 9.258 -5.834 1.00 0.00 H new ATOM 0 HD2 ARG A 21 121.338 11.701 -6.435 1.00 0.00 H new ATOM 0 HD3 ARG A 21 122.750 11.433 -7.438 1.00 0.00 H new ATOM 0 HE ARG A 21 120.538 9.539 -8.062 1.00 0.00 H new ATOM 0 HH11 ARG A 21 119.239 12.204 -8.381 1.00 0.00 H new ATOM 0 HH12 ARG A 21 119.663 12.650 -10.037 1.00 0.00 H new ATOM 0 HH21 ARG A 21 122.264 10.328 -10.263 1.00 0.00 H new ATOM 0 HH22 ARG A 21 121.359 11.598 -11.093 1.00 0.00 H new ATOM 342 N ASP A 22 124.230 9.875 -2.192 1.00 0.00 N ATOM 343 CA ASP A 22 125.274 10.148 -1.163 1.00 0.00 C ATOM 344 C ASP A 22 125.638 8.872 -0.393 1.00 0.00 C ATOM 345 O ASP A 22 126.792 8.635 -0.096 1.00 0.00 O ATOM 346 CB ASP A 22 124.652 11.171 -0.211 1.00 0.00 C ATOM 347 CG ASP A 22 124.864 12.586 -0.758 1.00 0.00 C ATOM 348 OD1 ASP A 22 125.741 12.754 -1.588 1.00 0.00 O ATOM 349 OD2 ASP A 22 124.149 13.478 -0.330 1.00 0.00 O1- ATOM 0 H ASP A 22 123.333 10.335 -2.036 1.00 0.00 H new ATOM 0 HA ASP A 22 126.193 10.514 -1.622 1.00 0.00 H new ATOM 0 HB2 ASP A 22 123.587 10.972 -0.095 1.00 0.00 H new ATOM 0 HB3 ASP A 22 125.103 11.082 0.778 1.00 0.00 H new ATOM 354 N ALA A 23 124.675 8.051 -0.054 1.00 0.00 N ATOM 355 CA ALA A 23 125.010 6.813 0.718 1.00 0.00 C ATOM 356 C ALA A 23 125.959 5.918 -0.088 1.00 0.00 C ATOM 357 O ALA A 23 126.901 5.361 0.444 1.00 0.00 O ATOM 358 CB ALA A 23 123.675 6.115 0.986 1.00 0.00 C ATOM 0 H ALA A 23 123.687 8.180 -0.273 1.00 0.00 H new ATOM 0 HA ALA A 23 125.524 7.042 1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 23 123.850 5.199 1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 23 123.028 6.777 1.561 1.00 0.00 H new ATOM 0 HB3 ALA A 23 123.195 5.872 0.038 1.00 0.00 H new ATOM 364 N GLU A 24 125.746 5.781 -1.380 1.00 0.00 N ATOM 365 CA GLU A 24 126.669 4.930 -2.202 1.00 0.00 C ATOM 366 C GLU A 24 128.100 5.466 -2.156 1.00 0.00 C ATOM 367 O GLU A 24 129.037 4.781 -2.516 1.00 0.00 O ATOM 368 CB GLU A 24 126.138 5.007 -3.631 1.00 0.00 C ATOM 369 CG GLU A 24 124.752 4.376 -3.695 1.00 0.00 C ATOM 370 CD GLU A 24 124.853 2.887 -3.365 1.00 0.00 C ATOM 371 OE1 GLU A 24 125.938 2.342 -3.494 1.00 0.00 O1- ATOM 372 OE2 GLU A 24 123.842 2.318 -2.987 1.00 0.00 O ATOM 0 H GLU A 24 124.981 6.217 -1.895 1.00 0.00 H new ATOM 0 HA GLU A 24 126.697 3.908 -1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 24 126.091 6.046 -3.957 1.00 0.00 H new ATOM 0 HB3 GLU A 24 126.816 4.490 -4.310 1.00 0.00 H new ATOM 0 HG2 GLU A 24 124.083 4.871 -2.991 1.00 0.00 H new ATOM 0 HG3 GLU A 24 124.325 4.511 -4.689 1.00 0.00 H new ATOM 379 N LYS A 25 128.286 6.669 -1.691 1.00 0.00 N ATOM 380 CA LYS A 25 129.661 7.205 -1.581 1.00 0.00 C ATOM 381 C LYS A 25 130.190 6.969 -0.157 1.00 0.00 C ATOM 382 O LYS A 25 131.300 7.338 0.173 1.00 0.00 O ATOM 383 CB LYS A 25 129.518 8.682 -1.901 1.00 0.00 C ATOM 384 CG LYS A 25 129.072 8.827 -3.354 1.00 0.00 C ATOM 385 CD LYS A 25 128.812 10.297 -3.652 1.00 0.00 C ATOM 386 CE LYS A 25 128.365 10.457 -5.106 1.00 0.00 C ATOM 387 NZ LYS A 25 128.086 11.911 -5.258 1.00 0.00 N1+ ATOM 0 H LYS A 25 127.545 7.299 -1.384 1.00 0.00 H new ATOM 0 HA LYS A 25 130.373 6.726 -2.253 1.00 0.00 H new ATOM 0 HB2 LYS A 25 128.790 9.144 -1.234 1.00 0.00 H new ATOM 0 HB3 LYS A 25 130.466 9.196 -1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 25 129.839 8.438 -4.023 1.00 0.00 H new ATOM 0 HG3 LYS A 25 128.169 8.242 -3.530 1.00 0.00 H new ATOM 0 HD2 LYS A 25 128.045 10.684 -2.981 1.00 0.00 H new ATOM 0 HD3 LYS A 25 129.716 10.880 -3.473 1.00 0.00 H new ATOM 0 HE2 LYS A 25 129.141 10.128 -5.797 1.00 0.00 H new ATOM 0 HE3 LYS A 25 127.478 9.860 -5.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 127.773 12.105 -6.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 127.339 12.193 -4.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 128.951 12.453 -5.058 1.00 0.00 H new ATOM 401 N ASN A 26 129.397 6.347 0.687 1.00 0.00 N ATOM 402 CA ASN A 26 129.834 6.060 2.079 1.00 0.00 C ATOM 403 C ASN A 26 129.991 4.545 2.287 1.00 0.00 C ATOM 404 O ASN A 26 130.625 4.103 3.224 1.00 0.00 O ATOM 405 CB ASN A 26 128.703 6.588 2.962 1.00 0.00 C ATOM 406 CG ASN A 26 128.712 8.118 2.953 1.00 0.00 C ATOM 407 OD1 ASN A 26 129.661 8.729 2.503 1.00 0.00 O ATOM 408 ND2 ASN A 26 127.695 8.766 3.453 1.00 0.00 N ATOM 0 H ASN A 26 128.456 6.025 0.461 1.00 0.00 H new ATOM 0 HA ASN A 26 130.794 6.521 2.309 1.00 0.00 H new ATOM 0 HB2 ASN A 26 127.744 6.218 2.600 1.00 0.00 H new ATOM 0 HB3 ASN A 26 128.822 6.220 3.981 1.00 0.00 H new ATOM 0 HD21 ASN A 26 127.697 9.786 3.466 1.00 0.00 H new ATOM 0 HD22 ASN A 26 126.899 8.252 3.831 1.00 0.00 H new ATOM 415 N THR A 27 129.430 3.746 1.413 1.00 0.00 N ATOM 416 CA THR A 27 129.563 2.264 1.559 1.00 0.00 C ATOM 417 C THR A 27 129.491 1.588 0.185 1.00 0.00 C ATOM 418 O THR A 27 128.948 2.128 -0.758 1.00 0.00 O ATOM 419 CB THR A 27 128.391 1.821 2.449 1.00 0.00 C ATOM 420 OG1 THR A 27 128.333 0.397 2.498 1.00 0.00 O ATOM 421 CG2 THR A 27 127.076 2.363 1.886 1.00 0.00 C ATOM 0 H THR A 27 128.887 4.055 0.607 1.00 0.00 H new ATOM 0 HA THR A 27 130.520 1.985 2.001 1.00 0.00 H new ATOM 0 HB THR A 27 128.543 2.213 3.455 1.00 0.00 H new ATOM 0 HG1 THR A 27 127.500 0.118 2.932 1.00 0.00 H new ATOM 0 HG21 THR A 27 126.250 2.045 2.522 1.00 0.00 H new ATOM 0 HG22 THR A 27 127.114 3.452 1.857 1.00 0.00 H new ATOM 0 HG23 THR A 27 126.926 1.979 0.877 1.00 0.00 H new ATOM 429 N SER A 28 130.017 0.398 0.079 1.00 0.00 N ATOM 430 CA SER A 28 129.963 -0.333 -1.217 1.00 0.00 C ATOM 431 C SER A 28 128.660 -1.139 -1.317 1.00 0.00 C ATOM 432 O SER A 28 128.351 -1.704 -2.347 1.00 0.00 O ATOM 433 CB SER A 28 131.176 -1.261 -1.203 1.00 0.00 C ATOM 434 OG SER A 28 130.961 -2.303 -0.260 1.00 0.00 O ATOM 0 H SER A 28 130.483 -0.100 0.837 1.00 0.00 H new ATOM 0 HA SER A 28 129.982 0.341 -2.073 1.00 0.00 H new ATOM 0 HB2 SER A 28 131.338 -1.681 -2.196 1.00 0.00 H new ATOM 0 HB3 SER A 28 132.074 -0.700 -0.944 1.00 0.00 H new ATOM 0 HG SER A 28 131.737 -2.901 -0.250 1.00 0.00 H new ATOM 440 N GLY A 29 127.890 -1.200 -0.257 1.00 0.00 N ATOM 441 CA GLY A 29 126.619 -1.963 -0.303 1.00 0.00 C ATOM 442 C GLY A 29 125.602 -1.186 -1.131 1.00 0.00 C ATOM 443 O GLY A 29 125.851 -0.067 -1.538 1.00 0.00 O ATOM 0 H GLY A 29 128.094 -0.751 0.636 1.00 0.00 H new ATOM 0 HA2 GLY A 29 126.787 -2.947 -0.740 1.00 0.00 H new ATOM 0 HA3 GLY A 29 126.239 -2.123 0.706 1.00 0.00 H new ATOM 447 N GLU A 30 124.469 -1.764 -1.402 1.00 0.00 N ATOM 448 CA GLU A 30 123.457 -1.038 -2.228 1.00 0.00 C ATOM 449 C GLU A 30 122.061 -1.095 -1.595 1.00 0.00 C ATOM 450 O GLU A 30 121.592 -2.133 -1.172 1.00 0.00 O ATOM 451 CB GLU A 30 123.472 -1.750 -3.579 1.00 0.00 C ATOM 452 CG GLU A 30 124.858 -1.610 -4.212 1.00 0.00 C ATOM 453 CD GLU A 30 125.132 -0.143 -4.537 1.00 0.00 C ATOM 454 OE1 GLU A 30 124.177 0.603 -4.656 1.00 0.00 O ATOM 455 OE2 GLU A 30 126.295 0.210 -4.658 1.00 0.00 O1- ATOM 0 H GLU A 30 124.197 -2.697 -1.094 1.00 0.00 H new ATOM 0 HA GLU A 30 123.696 0.022 -2.315 1.00 0.00 H new ATOM 0 HB2 GLU A 30 123.224 -2.803 -3.450 1.00 0.00 H new ATOM 0 HB3 GLU A 30 122.715 -1.322 -4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 30 125.619 -1.989 -3.530 1.00 0.00 H new ATOM 0 HG3 GLU A 30 124.916 -2.210 -5.120 1.00 0.00 H new ATOM 462 N ILE A 31 121.398 0.034 -1.547 1.00 0.00 N ATOM 463 CA ILE A 31 120.024 0.102 -0.963 1.00 0.00 C ATOM 464 C ILE A 31 119.012 0.536 -2.039 1.00 0.00 C ATOM 465 O ILE A 31 119.244 1.468 -2.780 1.00 0.00 O ATOM 466 CB ILE A 31 120.112 1.144 0.157 1.00 0.00 C ATOM 467 CG1 ILE A 31 121.019 0.614 1.273 1.00 0.00 C ATOM 468 CG2 ILE A 31 118.715 1.412 0.724 1.00 0.00 C ATOM 469 CD1 ILE A 31 121.313 1.732 2.278 1.00 0.00 C ATOM 0 H ILE A 31 121.757 0.924 -1.893 1.00 0.00 H new ATOM 0 HA ILE A 31 119.687 -0.863 -0.585 1.00 0.00 H new ATOM 0 HB ILE A 31 120.524 2.071 -0.243 1.00 0.00 H new ATOM 0 HG12 ILE A 31 120.538 -0.224 1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 31 121.951 0.239 0.850 1.00 0.00 H new ATOM 0 HG21 ILE A 31 118.782 2.153 1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 31 118.067 1.787 -0.068 1.00 0.00 H new ATOM 0 HG23 ILE A 31 118.301 0.486 1.124 1.00 0.00 H new ATOM 0 HD11 ILE A 31 121.958 1.350 3.069 1.00 0.00 H new ATOM 0 HD12 ILE A 31 121.812 2.557 1.769 1.00 0.00 H new ATOM 0 HD13 ILE A 31 120.378 2.086 2.712 1.00 0.00 H new ATOM 481 N ARG A 32 117.892 -0.131 -2.115 1.00 0.00 N ATOM 482 CA ARG A 32 116.858 0.244 -3.129 1.00 0.00 C ATOM 483 C ARG A 32 115.457 0.146 -2.516 1.00 0.00 C ATOM 484 O ARG A 32 115.240 -0.557 -1.548 1.00 0.00 O ATOM 485 CB ARG A 32 117.029 -0.761 -4.270 1.00 0.00 C ATOM 486 CG ARG A 32 116.066 -0.422 -5.410 1.00 0.00 C ATOM 487 CD ARG A 32 116.240 -1.445 -6.536 1.00 0.00 C ATOM 488 NE ARG A 32 115.440 -0.915 -7.676 1.00 0.00 N ATOM 489 CZ ARG A 32 115.140 -1.698 -8.677 1.00 0.00 C ATOM 490 NH1 ARG A 32 114.419 -2.764 -8.471 1.00 0.00 N1+ ATOM 491 NH2 ARG A 32 115.560 -1.417 -9.882 1.00 0.00 N ATOM 0 H ARG A 32 117.646 -0.921 -1.519 1.00 0.00 H new ATOM 0 HA ARG A 32 116.976 1.269 -3.480 1.00 0.00 H new ATOM 0 HB2 ARG A 32 118.057 -0.742 -4.632 1.00 0.00 H new ATOM 0 HB3 ARG A 32 116.837 -1.771 -3.908 1.00 0.00 H new ATOM 0 HG2 ARG A 32 115.038 -0.432 -5.049 1.00 0.00 H new ATOM 0 HG3 ARG A 32 116.263 0.583 -5.782 1.00 0.00 H new ATOM 0 HD2 ARG A 32 117.290 -1.554 -6.809 1.00 0.00 H new ATOM 0 HD3 ARG A 32 115.886 -2.430 -6.231 1.00 0.00 H new ATOM 0 HE ARG A 32 115.128 0.056 -7.674 1.00 0.00 H new ATOM 0 HH11 ARG A 32 114.091 -2.984 -7.531 1.00 0.00 H new ATOM 0 HH12 ARG A 32 114.182 -3.378 -9.250 1.00 0.00 H new ATOM 0 HH21 ARG A 32 116.125 -0.583 -10.044 1.00 0.00 H new ATOM 0 HH22 ARG A 32 115.323 -2.032 -10.661 1.00 0.00 H new ATOM 505 N VAL A 33 114.510 0.857 -3.062 1.00 0.00 N ATOM 506 CA VAL A 33 113.128 0.818 -2.498 1.00 0.00 C ATOM 507 C VAL A 33 112.115 0.419 -3.578 1.00 0.00 C ATOM 508 O VAL A 33 112.157 0.887 -4.696 1.00 0.00 O ATOM 509 CB VAL A 33 112.851 2.243 -1.989 1.00 0.00 C ATOM 510 CG1 VAL A 33 113.139 3.261 -3.096 1.00 0.00 C ATOM 511 CG2 VAL A 33 111.382 2.367 -1.555 1.00 0.00 C ATOM 0 H VAL A 33 114.631 1.463 -3.873 1.00 0.00 H new ATOM 0 HA VAL A 33 113.038 0.082 -1.699 1.00 0.00 H new ATOM 0 HB VAL A 33 113.500 2.443 -1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 33 112.940 4.267 -2.726 1.00 0.00 H new ATOM 0 HG12 VAL A 33 114.184 3.185 -3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 33 112.498 3.057 -3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 33 111.193 3.379 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 33 110.733 2.156 -2.405 1.00 0.00 H new ATOM 0 HG23 VAL A 33 111.177 1.654 -0.756 1.00 0.00 H new ATOM 521 N HIS A 34 111.186 -0.418 -3.219 1.00 0.00 N ATOM 522 CA HIS A 34 110.138 -0.841 -4.182 1.00 0.00 C ATOM 523 C HIS A 34 108.770 -0.474 -3.610 1.00 0.00 C ATOM 524 O HIS A 34 108.390 -0.899 -2.541 1.00 0.00 O ATOM 525 CB HIS A 34 110.297 -2.356 -4.311 1.00 0.00 C ATOM 526 CG HIS A 34 109.359 -2.869 -5.362 1.00 0.00 C ATOM 527 ND1 HIS A 34 109.710 -2.923 -6.695 1.00 0.00 N ATOM 528 CD2 HIS A 34 108.076 -3.346 -5.294 1.00 0.00 C ATOM 529 CE1 HIS A 34 108.661 -3.412 -7.377 1.00 0.00 C ATOM 530 NE2 HIS A 34 107.634 -3.689 -6.569 1.00 0.00 N ATOM 0 H HIS A 34 111.108 -0.831 -2.290 1.00 0.00 H new ATOM 0 HA HIS A 34 110.227 -0.358 -5.155 1.00 0.00 H new ATOM 0 HB2 HIS A 34 111.325 -2.603 -4.574 1.00 0.00 H new ATOM 0 HB3 HIS A 34 110.088 -2.837 -3.356 1.00 0.00 H new ATOM 0 HD2 HIS A 34 107.496 -3.441 -4.388 1.00 0.00 H new ATOM 0 HE1 HIS A 34 108.649 -3.563 -8.446 1.00 0.00 H new ATOM 0 HE2 HIS A 34 106.724 -4.069 -6.829 1.00 0.00 H new ATOM 538 N LEU A 35 108.042 0.346 -4.312 1.00 0.00 N ATOM 539 CA LEU A 35 106.709 0.792 -3.824 1.00 0.00 C ATOM 540 C LEU A 35 105.570 0.227 -4.674 1.00 0.00 C ATOM 541 O LEU A 35 105.592 0.261 -5.888 1.00 0.00 O ATOM 542 CB LEU A 35 106.734 2.310 -3.956 1.00 0.00 C ATOM 543 CG LEU A 35 105.448 2.881 -3.360 1.00 0.00 C ATOM 544 CD1 LEU A 35 105.360 2.520 -1.875 1.00 0.00 C ATOM 545 CD2 LEU A 35 105.450 4.394 -3.510 1.00 0.00 C ATOM 0 H LEU A 35 108.318 0.731 -5.215 1.00 0.00 H new ATOM 0 HA LEU A 35 106.533 0.449 -2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 35 107.603 2.719 -3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 35 106.823 2.596 -5.004 1.00 0.00 H new ATOM 0 HG LEU A 35 104.591 2.460 -3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 35 104.441 2.929 -1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.358 1.436 -1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 35 106.218 2.937 -1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.533 4.803 -3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.310 4.810 -2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 35 105.508 4.655 -4.567 1.00 0.00 H new ATOM 557 N GLU A 36 104.554 -0.249 -4.013 1.00 0.00 N ATOM 558 CA GLU A 36 103.350 -0.784 -4.709 1.00 0.00 C ATOM 559 C GLU A 36 102.140 -0.593 -3.789 1.00 0.00 C ATOM 560 O GLU A 36 102.279 -0.256 -2.629 1.00 0.00 O ATOM 561 CB GLU A 36 103.632 -2.258 -5.012 1.00 0.00 C ATOM 562 CG GLU A 36 102.394 -2.895 -5.655 1.00 0.00 C ATOM 563 CD GLU A 36 102.665 -4.372 -5.959 1.00 0.00 C ATOM 564 OE1 GLU A 36 103.823 -4.758 -5.947 1.00 0.00 O1- ATOM 565 OE2 GLU A 36 101.710 -5.091 -6.198 1.00 0.00 O ATOM 0 H GLU A 36 104.506 -0.291 -2.995 1.00 0.00 H new ATOM 0 HA GLU A 36 103.132 -0.269 -5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 36 104.488 -2.345 -5.681 1.00 0.00 H new ATOM 0 HB3 GLU A 36 103.890 -2.786 -4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 36 101.538 -2.804 -4.986 1.00 0.00 H new ATOM 0 HG3 GLU A 36 102.138 -2.367 -6.574 1.00 0.00 H new ATOM 572 N LYS A 37 100.952 -0.739 -4.306 1.00 0.00 N ATOM 573 CA LYS A 37 99.745 -0.497 -3.470 1.00 0.00 C ATOM 574 C LYS A 37 99.425 -1.666 -2.533 1.00 0.00 C ATOM 575 O LYS A 37 99.606 -1.571 -1.334 1.00 0.00 O ATOM 576 CB LYS A 37 98.619 -0.261 -4.471 1.00 0.00 C ATOM 577 CG LYS A 37 98.928 1.000 -5.277 1.00 0.00 C ATOM 578 CD LYS A 37 97.790 1.267 -6.258 1.00 0.00 C ATOM 579 CE LYS A 37 98.100 2.527 -7.068 1.00 0.00 C ATOM 580 NZ LYS A 37 96.939 2.676 -7.986 1.00 0.00 N1+ ATOM 0 H LYS A 37 100.766 -1.015 -5.270 1.00 0.00 H new ATOM 0 HA LYS A 37 99.895 0.352 -2.802 1.00 0.00 H new ATOM 0 HB2 LYS A 37 98.521 -1.119 -5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 37 97.668 -0.151 -3.950 1.00 0.00 H new ATOM 0 HG2 LYS A 37 99.053 1.851 -4.608 1.00 0.00 H new ATOM 0 HG3 LYS A 37 99.867 0.879 -5.817 1.00 0.00 H new ATOM 0 HD2 LYS A 37 97.664 0.415 -6.926 1.00 0.00 H new ATOM 0 HD3 LYS A 37 96.851 1.391 -5.718 1.00 0.00 H new ATOM 0 HE2 LYS A 37 98.209 3.398 -6.421 1.00 0.00 H new ATOM 0 HE3 LYS A 37 99.033 2.423 -7.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 97.072 3.520 -8.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 96.865 1.834 -8.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 96.067 2.779 -7.429 1.00 0.00 H new ATOM 594 N THR A 38 98.952 -2.761 -3.053 1.00 0.00 N ATOM 595 CA THR A 38 98.627 -3.919 -2.165 1.00 0.00 C ATOM 596 C THR A 38 98.987 -5.230 -2.865 1.00 0.00 C ATOM 597 O THR A 38 99.093 -5.296 -4.073 1.00 0.00 O ATOM 598 CB THR A 38 97.120 -3.821 -1.923 1.00 0.00 C ATOM 599 OG1 THR A 38 96.688 -4.945 -1.172 1.00 0.00 O ATOM 600 CG2 THR A 38 96.389 -3.788 -3.267 1.00 0.00 C ATOM 0 H THR A 38 98.776 -2.909 -4.047 1.00 0.00 H new ATOM 0 HA THR A 38 99.185 -3.899 -1.229 1.00 0.00 H new ATOM 0 HB THR A 38 96.898 -2.909 -1.369 1.00 0.00 H new ATOM 0 HG1 THR A 38 95.723 -4.882 -1.015 1.00 0.00 H new ATOM 0 HG21 THR A 38 95.315 -3.718 -3.095 1.00 0.00 H new ATOM 0 HG22 THR A 38 96.722 -2.923 -3.841 1.00 0.00 H new ATOM 0 HG23 THR A 38 96.609 -4.699 -3.823 1.00 0.00 H new ATOM 608 N SER A 39 99.188 -6.273 -2.105 1.00 0.00 N ATOM 609 CA SER A 39 99.553 -7.582 -2.706 1.00 0.00 C ATOM 610 C SER A 39 98.352 -8.524 -2.745 1.00 0.00 C ATOM 611 O SER A 39 97.359 -8.317 -2.077 1.00 0.00 O ATOM 612 CB SER A 39 100.633 -8.146 -1.786 1.00 0.00 C ATOM 613 OG SER A 39 100.137 -8.181 -0.455 1.00 0.00 O ATOM 0 H SER A 39 99.114 -6.271 -1.088 1.00 0.00 H new ATOM 0 HA SER A 39 99.894 -7.471 -3.735 1.00 0.00 H new ATOM 0 HB2 SER A 39 100.916 -9.148 -2.108 1.00 0.00 H new ATOM 0 HB3 SER A 39 101.530 -7.529 -1.837 1.00 0.00 H new ATOM 0 HG SER A 39 100.825 -8.544 0.141 1.00 0.00 H new ATOM 619 N GLU A 40 98.450 -9.571 -3.507 1.00 0.00 N ATOM 620 CA GLU A 40 97.333 -10.552 -3.580 1.00 0.00 C ATOM 621 C GLU A 40 97.713 -11.814 -2.799 1.00 0.00 C ATOM 622 O GLU A 40 96.866 -12.542 -2.321 1.00 0.00 O ATOM 623 CB GLU A 40 97.163 -10.860 -5.064 1.00 0.00 C ATOM 624 CG GLU A 40 96.700 -9.597 -5.802 1.00 0.00 C ATOM 625 CD GLU A 40 96.523 -9.904 -7.294 1.00 0.00 C ATOM 626 OE1 GLU A 40 96.905 -10.987 -7.713 1.00 0.00 O1- ATOM 627 OE2 GLU A 40 96.018 -9.045 -7.997 1.00 0.00 O ATOM 0 H GLU A 40 99.259 -9.793 -4.087 1.00 0.00 H new ATOM 0 HA GLU A 40 96.408 -10.170 -3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 40 98.105 -11.213 -5.483 1.00 0.00 H new ATOM 0 HB3 GLU A 40 96.435 -11.660 -5.199 1.00 0.00 H new ATOM 0 HG2 GLU A 40 95.760 -9.242 -5.380 1.00 0.00 H new ATOM 0 HG3 GLU A 40 97.430 -8.799 -5.670 1.00 0.00 H new ATOM 634 N ILE A 41 98.983 -12.064 -2.650 1.00 0.00 N ATOM 635 CA ILE A 41 99.433 -13.262 -1.885 1.00 0.00 C ATOM 636 C ILE A 41 100.114 -12.801 -0.580 1.00 0.00 C ATOM 637 O ILE A 41 99.510 -12.097 0.208 1.00 0.00 O ATOM 638 CB ILE A 41 100.382 -14.002 -2.837 1.00 0.00 C ATOM 639 CG1 ILE A 41 101.491 -13.047 -3.309 1.00 0.00 C ATOM 640 CG2 ILE A 41 99.595 -14.506 -4.043 1.00 0.00 C ATOM 641 CD1 ILE A 41 102.636 -13.852 -3.928 1.00 0.00 C ATOM 0 H ILE A 41 99.735 -11.487 -3.027 1.00 0.00 H new ATOM 0 HA ILE A 41 98.623 -13.924 -1.578 1.00 0.00 H new ATOM 0 HB ILE A 41 100.833 -14.846 -2.316 1.00 0.00 H new ATOM 0 HG12 ILE A 41 101.092 -12.343 -4.040 1.00 0.00 H new ATOM 0 HG13 ILE A 41 101.860 -12.459 -2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.266 -15.032 -4.721 1.00 0.00 H new ATOM 0 HG22 ILE A 41 98.812 -15.186 -3.708 1.00 0.00 H new ATOM 0 HG23 ILE A 41 99.144 -13.660 -4.562 1.00 0.00 H new ATOM 0 HD11 ILE A 41 103.420 -13.172 -4.261 1.00 0.00 H new ATOM 0 HD12 ILE A 41 103.042 -14.538 -3.184 1.00 0.00 H new ATOM 0 HD13 ILE A 41 102.262 -14.420 -4.780 1.00 0.00 H new ATOM 653 N ASP A 42 101.355 -13.151 -0.337 1.00 0.00 N ATOM 654 CA ASP A 42 102.021 -12.675 0.917 1.00 0.00 C ATOM 655 C ASP A 42 103.109 -11.660 0.566 1.00 0.00 C ATOM 656 O ASP A 42 103.799 -11.795 -0.421 1.00 0.00 O ATOM 657 CB ASP A 42 102.630 -13.910 1.579 1.00 0.00 C ATOM 658 CG ASP A 42 101.532 -14.773 2.204 1.00 0.00 C ATOM 659 OD1 ASP A 42 100.440 -14.265 2.390 1.00 0.00 O ATOM 660 OD2 ASP A 42 101.807 -15.928 2.488 1.00 0.00 O1- ATOM 0 H ASP A 42 101.929 -13.737 -0.943 1.00 0.00 H new ATOM 0 HA ASP A 42 101.316 -12.185 1.588 1.00 0.00 H new ATOM 0 HB2 ASP A 42 103.183 -14.491 0.841 1.00 0.00 H new ATOM 0 HB3 ASP A 42 103.343 -13.606 2.345 1.00 0.00 H new ATOM 665 N VAL A 43 103.253 -10.633 1.361 1.00 0.00 N ATOM 666 CA VAL A 43 104.288 -9.600 1.060 1.00 0.00 C ATOM 667 C VAL A 43 105.706 -10.193 1.139 1.00 0.00 C ATOM 668 O VAL A 43 106.536 -9.916 0.302 1.00 0.00 O ATOM 669 CB VAL A 43 104.098 -8.492 2.104 1.00 0.00 C ATOM 670 CG1 VAL A 43 105.197 -7.438 1.939 1.00 0.00 C ATOM 671 CG2 VAL A 43 102.736 -7.820 1.905 1.00 0.00 C ATOM 0 H VAL A 43 102.701 -10.465 2.202 1.00 0.00 H new ATOM 0 HA VAL A 43 104.175 -9.215 0.047 1.00 0.00 H new ATOM 0 HB VAL A 43 104.150 -8.931 3.100 1.00 0.00 H new ATOM 0 HG11 VAL A 43 105.061 -6.651 2.681 1.00 0.00 H new ATOM 0 HG12 VAL A 43 106.172 -7.904 2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 43 105.141 -7.007 0.939 1.00 0.00 H new ATOM 0 HG21 VAL A 43 102.606 -7.034 2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 43 102.687 -7.386 0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 43 101.945 -8.561 2.018 1.00 0.00 H new ATOM 681 N PHE A 44 105.995 -10.993 2.131 1.00 0.00 N ATOM 682 CA PHE A 44 107.371 -11.579 2.225 1.00 0.00 C ATOM 683 C PHE A 44 107.668 -12.441 0.990 1.00 0.00 C ATOM 684 O PHE A 44 108.707 -12.312 0.373 1.00 0.00 O ATOM 685 CB PHE A 44 107.365 -12.439 3.495 1.00 0.00 C ATOM 686 CG PHE A 44 108.705 -13.128 3.647 1.00 0.00 C ATOM 687 CD1 PHE A 44 109.823 -12.401 4.074 1.00 0.00 C ATOM 688 CD2 PHE A 44 108.831 -14.494 3.358 1.00 0.00 C ATOM 689 CE1 PHE A 44 111.063 -13.036 4.213 1.00 0.00 C ATOM 690 CE2 PHE A 44 110.073 -15.130 3.496 1.00 0.00 C ATOM 691 CZ PHE A 44 111.188 -14.399 3.923 1.00 0.00 C ATOM 0 H PHE A 44 105.350 -11.265 2.873 1.00 0.00 H new ATOM 0 HA PHE A 44 108.140 -10.807 2.266 1.00 0.00 H new ATOM 0 HB2 PHE A 44 107.163 -11.817 4.367 1.00 0.00 H new ATOM 0 HB3 PHE A 44 106.567 -13.180 3.441 1.00 0.00 H new ATOM 0 HD1 PHE A 44 109.729 -11.348 4.297 1.00 0.00 H new ATOM 0 HD2 PHE A 44 107.970 -15.057 3.029 1.00 0.00 H new ATOM 0 HE1 PHE A 44 111.923 -12.473 4.544 1.00 0.00 H new ATOM 0 HE2 PHE A 44 110.169 -16.182 3.273 1.00 0.00 H new ATOM 0 HZ PHE A 44 112.145 -14.888 4.029 1.00 0.00 H new ATOM 701 N ASP A 45 106.754 -13.286 0.595 1.00 0.00 N ATOM 702 CA ASP A 45 106.982 -14.111 -0.631 1.00 0.00 C ATOM 703 C ASP A 45 106.917 -13.186 -1.858 1.00 0.00 C ATOM 704 O ASP A 45 107.697 -13.308 -2.783 1.00 0.00 O ATOM 705 CB ASP A 45 105.827 -15.116 -0.640 1.00 0.00 C ATOM 706 CG ASP A 45 106.163 -16.324 0.239 1.00 0.00 C ATOM 707 OD1 ASP A 45 107.298 -16.425 0.675 1.00 0.00 O ATOM 708 OD2 ASP A 45 105.272 -17.126 0.470 1.00 0.00 O1- ATOM 0 H ASP A 45 105.862 -13.442 1.065 1.00 0.00 H new ATOM 0 HA ASP A 45 107.948 -14.616 -0.648 1.00 0.00 H new ATOM 0 HB2 ASP A 45 104.917 -14.637 -0.278 1.00 0.00 H new ATOM 0 HB3 ASP A 45 105.630 -15.444 -1.661 1.00 0.00 H new ATOM 713 N ARG A 46 106.002 -12.256 -1.860 1.00 0.00 N ATOM 714 CA ARG A 46 105.880 -11.308 -3.009 1.00 0.00 C ATOM 715 C ARG A 46 107.146 -10.452 -3.159 1.00 0.00 C ATOM 716 O ARG A 46 107.615 -10.222 -4.257 1.00 0.00 O ATOM 717 CB ARG A 46 104.683 -10.418 -2.673 1.00 0.00 C ATOM 718 CG ARG A 46 104.451 -9.444 -3.830 1.00 0.00 C ATOM 719 CD ARG A 46 103.187 -8.622 -3.579 1.00 0.00 C ATOM 720 NE ARG A 46 103.124 -7.677 -4.730 1.00 0.00 N ATOM 721 CZ ARG A 46 102.541 -8.034 -5.843 1.00 0.00 C ATOM 722 NH1 ARG A 46 103.211 -8.685 -6.754 1.00 0.00 N1+ ATOM 723 NH2 ARG A 46 101.293 -7.725 -6.056 1.00 0.00 N ATOM 0 H ARG A 46 105.327 -12.109 -1.110 1.00 0.00 H new ATOM 0 HA ARG A 46 105.750 -11.842 -3.950 1.00 0.00 H new ATOM 0 HB2 ARG A 46 103.794 -11.027 -2.509 1.00 0.00 H new ATOM 0 HB3 ARG A 46 104.868 -9.869 -1.750 1.00 0.00 H new ATOM 0 HG2 ARG A 46 105.310 -8.781 -3.936 1.00 0.00 H new ATOM 0 HG3 ARG A 46 104.356 -9.995 -4.766 1.00 0.00 H new ATOM 0 HD2 ARG A 46 102.302 -9.257 -3.537 1.00 0.00 H new ATOM 0 HD3 ARG A 46 103.242 -8.089 -2.630 1.00 0.00 H new ATOM 0 HE ARG A 46 103.538 -6.748 -4.648 1.00 0.00 H new ATOM 0 HH11 ARG A 46 104.192 -8.916 -6.598 1.00 0.00 H new ATOM 0 HH12 ARG A 46 102.754 -8.963 -7.622 1.00 0.00 H new ATOM 0 HH21 ARG A 46 100.770 -7.203 -5.353 1.00 0.00 H new ATOM 0 HH22 ARG A 46 100.840 -8.005 -6.926 1.00 0.00 H new ATOM 737 N ALA A 47 107.703 -9.978 -2.079 1.00 0.00 N ATOM 738 CA ALA A 47 108.936 -9.143 -2.177 1.00 0.00 C ATOM 739 C ALA A 47 110.121 -10.001 -2.636 1.00 0.00 C ATOM 740 O ALA A 47 110.927 -9.574 -3.432 1.00 0.00 O ATOM 741 CB ALA A 47 109.160 -8.589 -0.769 1.00 0.00 C ATOM 0 H ALA A 47 107.358 -10.132 -1.131 1.00 0.00 H new ATOM 0 HA ALA A 47 108.837 -8.339 -2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 47 110.052 -7.963 -0.762 1.00 0.00 H new ATOM 0 HB2 ALA A 47 108.297 -7.994 -0.471 1.00 0.00 H new ATOM 0 HB3 ALA A 47 109.291 -9.415 -0.070 1.00 0.00 H new ATOM 747 N MET A 48 110.221 -11.212 -2.159 1.00 0.00 N ATOM 748 CA MET A 48 111.344 -12.096 -2.598 1.00 0.00 C ATOM 749 C MET A 48 111.238 -12.367 -4.101 1.00 0.00 C ATOM 750 O MET A 48 112.222 -12.336 -4.814 1.00 0.00 O ATOM 751 CB MET A 48 111.159 -13.392 -1.807 1.00 0.00 C ATOM 752 CG MET A 48 112.294 -14.367 -2.133 1.00 0.00 C ATOM 753 SD MET A 48 112.106 -15.857 -1.128 1.00 0.00 S ATOM 754 CE MET A 48 110.623 -16.478 -1.954 1.00 0.00 C ATOM 0 H MET A 48 109.577 -11.628 -1.486 1.00 0.00 H new ATOM 0 HA MET A 48 112.321 -11.647 -2.421 1.00 0.00 H new ATOM 0 HB2 MET A 48 111.147 -13.178 -0.738 1.00 0.00 H new ATOM 0 HB3 MET A 48 110.198 -13.844 -2.052 1.00 0.00 H new ATOM 0 HG2 MET A 48 112.276 -14.624 -3.192 1.00 0.00 H new ATOM 0 HG3 MET A 48 113.259 -13.900 -1.935 1.00 0.00 H new ATOM 0 HE1 MET A 48 110.717 -17.552 -2.112 1.00 0.00 H new ATOM 0 HE2 MET A 48 109.750 -16.278 -1.333 1.00 0.00 H new ATOM 0 HE3 MET A 48 110.506 -15.979 -2.916 1.00 0.00 H new ATOM 764 N ASP A 49 110.057 -12.623 -4.595 1.00 0.00 N ATOM 765 CA ASP A 49 109.909 -12.879 -6.056 1.00 0.00 C ATOM 766 C ASP A 49 110.255 -11.615 -6.841 1.00 0.00 C ATOM 767 O ASP A 49 110.919 -11.660 -7.854 1.00 0.00 O ATOM 768 CB ASP A 49 108.449 -13.284 -6.257 1.00 0.00 C ATOM 769 CG ASP A 49 108.299 -14.782 -5.987 1.00 0.00 C ATOM 770 OD1 ASP A 49 109.292 -15.485 -6.095 1.00 0.00 O1- ATOM 771 OD2 ASP A 49 107.195 -15.203 -5.683 1.00 0.00 O ATOM 0 H ASP A 49 109.193 -12.666 -4.054 1.00 0.00 H new ATOM 0 HA ASP A 49 110.579 -13.661 -6.413 1.00 0.00 H new ATOM 0 HB2 ASP A 49 107.806 -12.715 -5.585 1.00 0.00 H new ATOM 0 HB3 ASP A 49 108.132 -13.052 -7.274 1.00 0.00 H new ATOM 776 N VAL A 50 109.831 -10.483 -6.356 1.00 0.00 N ATOM 777 CA VAL A 50 110.162 -9.202 -7.041 1.00 0.00 C ATOM 778 C VAL A 50 111.664 -8.912 -6.886 1.00 0.00 C ATOM 779 O VAL A 50 112.320 -8.520 -7.830 1.00 0.00 O ATOM 780 CB VAL A 50 109.287 -8.140 -6.357 1.00 0.00 C ATOM 781 CG1 VAL A 50 109.725 -6.737 -6.789 1.00 0.00 C ATOM 782 CG2 VAL A 50 107.827 -8.349 -6.773 1.00 0.00 C ATOM 0 H VAL A 50 109.267 -10.388 -5.511 1.00 0.00 H new ATOM 0 HA VAL A 50 109.965 -9.223 -8.113 1.00 0.00 H new ATOM 0 HB VAL A 50 109.392 -8.236 -5.276 1.00 0.00 H new ATOM 0 HG11 VAL A 50 109.098 -5.993 -6.298 1.00 0.00 H new ATOM 0 HG12 VAL A 50 110.766 -6.578 -6.507 1.00 0.00 H new ATOM 0 HG13 VAL A 50 109.623 -6.641 -7.870 1.00 0.00 H new ATOM 0 HG21 VAL A 50 107.200 -7.599 -6.291 1.00 0.00 H new ATOM 0 HG22 VAL A 50 107.740 -8.254 -7.855 1.00 0.00 H new ATOM 0 HG23 VAL A 50 107.501 -9.344 -6.469 1.00 0.00 H new ATOM 792 N PHE A 51 112.212 -9.101 -5.719 1.00 0.00 N ATOM 793 CA PHE A 51 113.668 -8.832 -5.539 1.00 0.00 C ATOM 794 C PHE A 51 114.456 -9.702 -6.521 1.00 0.00 C ATOM 795 O PHE A 51 115.345 -9.231 -7.202 1.00 0.00 O ATOM 796 CB PHE A 51 113.973 -9.241 -4.093 1.00 0.00 C ATOM 797 CG PHE A 51 115.350 -8.752 -3.696 1.00 0.00 C ATOM 798 CD1 PHE A 51 116.493 -9.233 -4.350 1.00 0.00 C ATOM 799 CD2 PHE A 51 115.480 -7.810 -2.669 1.00 0.00 C ATOM 800 CE1 PHE A 51 117.761 -8.768 -3.976 1.00 0.00 C ATOM 801 CE2 PHE A 51 116.748 -7.344 -2.298 1.00 0.00 C ATOM 802 CZ PHE A 51 117.885 -7.823 -2.953 1.00 0.00 C ATOM 0 H PHE A 51 111.721 -9.428 -4.887 1.00 0.00 H new ATOM 0 HA PHE A 51 113.937 -7.792 -5.724 1.00 0.00 H new ATOM 0 HB2 PHE A 51 113.222 -8.823 -3.422 1.00 0.00 H new ATOM 0 HB3 PHE A 51 113.921 -10.325 -3.994 1.00 0.00 H new ATOM 0 HD1 PHE A 51 116.396 -9.961 -5.142 1.00 0.00 H new ATOM 0 HD2 PHE A 51 114.601 -7.442 -2.161 1.00 0.00 H new ATOM 0 HE1 PHE A 51 118.642 -9.140 -4.478 1.00 0.00 H new ATOM 0 HE2 PHE A 51 116.846 -6.616 -1.507 1.00 0.00 H new ATOM 0 HZ PHE A 51 118.862 -7.462 -2.668 1.00 0.00 H new ATOM 812 N HIS A 52 114.138 -10.962 -6.610 1.00 0.00 N ATOM 813 CA HIS A 52 114.866 -11.844 -7.567 1.00 0.00 C ATOM 814 C HIS A 52 114.427 -11.520 -8.999 1.00 0.00 C ATOM 815 O HIS A 52 115.217 -11.565 -9.922 1.00 0.00 O ATOM 816 CB HIS A 52 114.479 -13.267 -7.171 1.00 0.00 C ATOM 817 CG HIS A 52 115.181 -13.640 -5.895 1.00 0.00 C ATOM 818 ND1 HIS A 52 116.037 -14.725 -5.818 1.00 0.00 N ATOM 819 CD2 HIS A 52 115.164 -13.084 -4.635 1.00 0.00 C ATOM 820 CE1 HIS A 52 116.496 -14.793 -4.556 1.00 0.00 C ATOM 821 NE2 HIS A 52 115.996 -13.817 -3.793 1.00 0.00 N ATOM 0 H HIS A 52 113.408 -11.420 -6.064 1.00 0.00 H new ATOM 0 HA HIS A 52 115.947 -11.708 -7.532 1.00 0.00 H new ATOM 0 HB2 HIS A 52 113.399 -13.338 -7.039 1.00 0.00 H new ATOM 0 HB3 HIS A 52 114.750 -13.963 -7.965 1.00 0.00 H new ATOM 0 HD2 HIS A 52 114.594 -12.214 -4.345 1.00 0.00 H new ATOM 0 HE1 HIS A 52 117.185 -15.545 -4.202 1.00 0.00 H new ATOM 0 HE2 HIS A 52 116.184 -13.646 -2.805 1.00 0.00 H new ATOM 829 N ASN A 53 113.183 -11.188 -9.196 1.00 0.00 N ATOM 830 CA ASN A 53 112.716 -10.853 -10.573 1.00 0.00 C ATOM 831 C ASN A 53 113.478 -9.630 -11.082 1.00 0.00 C ATOM 832 O ASN A 53 113.819 -9.536 -12.244 1.00 0.00 O ATOM 833 CB ASN A 53 111.231 -10.520 -10.431 1.00 0.00 C ATOM 834 CG ASN A 53 110.653 -10.199 -11.809 1.00 0.00 C ATOM 835 OD1 ASN A 53 111.377 -9.849 -12.719 1.00 0.00 O ATOM 836 ND2 ASN A 53 109.368 -10.311 -12.007 1.00 0.00 N ATOM 0 H ASN A 53 112.470 -11.134 -8.468 1.00 0.00 H new ATOM 0 HA ASN A 53 112.881 -11.670 -11.276 1.00 0.00 H new ATOM 0 HB2 ASN A 53 110.698 -11.361 -9.987 1.00 0.00 H new ATOM 0 HB3 ASN A 53 111.099 -9.670 -9.761 1.00 0.00 H new ATOM 0 HD21 ASN A 53 108.974 -10.105 -12.925 1.00 0.00 H new ATOM 0 HD22 ASN A 53 108.758 -10.605 -11.244 1.00 0.00 H new ATOM 843 N LEU A 54 113.746 -8.696 -10.215 1.00 0.00 N ATOM 844 CA LEU A 54 114.499 -7.478 -10.633 1.00 0.00 C ATOM 845 C LEU A 54 116.014 -7.753 -10.647 1.00 0.00 C ATOM 846 O LEU A 54 116.805 -6.867 -10.904 1.00 0.00 O ATOM 847 CB LEU A 54 114.151 -6.428 -9.581 1.00 0.00 C ATOM 848 CG LEU A 54 112.651 -6.137 -9.619 1.00 0.00 C ATOM 849 CD1 LEU A 54 112.299 -5.146 -8.509 1.00 0.00 C ATOM 850 CD2 LEU A 54 112.284 -5.536 -10.977 1.00 0.00 C ATOM 0 H LEU A 54 113.476 -8.722 -9.232 1.00 0.00 H new ATOM 0 HA LEU A 54 114.236 -7.156 -11.640 1.00 0.00 H new ATOM 0 HB2 LEU A 54 114.437 -6.783 -8.591 1.00 0.00 H new ATOM 0 HB3 LEU A 54 114.713 -5.513 -9.767 1.00 0.00 H new ATOM 0 HG LEU A 54 112.095 -7.062 -9.470 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.230 -4.937 -8.534 1.00 0.00 H new ATOM 0 HD12 LEU A 54 112.563 -5.574 -7.542 1.00 0.00 H new ATOM 0 HD13 LEU A 54 112.854 -4.220 -8.659 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.214 -5.328 -11.006 1.00 0.00 H new ATOM 0 HD22 LEU A 54 112.838 -4.609 -11.126 1.00 0.00 H new ATOM 0 HD23 LEU A 54 112.538 -6.242 -11.768 1.00 0.00 H new ATOM 862 N LYS A 55 116.415 -8.970 -10.378 1.00 0.00 N ATOM 863 CA LYS A 55 117.866 -9.326 -10.377 1.00 0.00 C ATOM 864 C LYS A 55 118.660 -8.451 -9.416 1.00 0.00 C ATOM 865 O LYS A 55 119.817 -8.155 -9.655 1.00 0.00 O ATOM 866 CB LYS A 55 118.355 -9.103 -11.806 1.00 0.00 C ATOM 867 CG LYS A 55 117.751 -10.150 -12.733 1.00 0.00 C ATOM 868 CD LYS A 55 118.234 -9.882 -14.157 1.00 0.00 C ATOM 869 CE LYS A 55 117.724 -10.981 -15.095 1.00 0.00 C ATOM 870 NZ LYS A 55 116.237 -10.871 -15.066 1.00 0.00 N1+ ATOM 0 H LYS A 55 115.788 -9.743 -10.156 1.00 0.00 H new ATOM 0 HA LYS A 55 118.005 -10.356 -10.049 1.00 0.00 H new ATOM 0 HB2 LYS A 55 118.077 -8.104 -12.142 1.00 0.00 H new ATOM 0 HB3 LYS A 55 119.443 -9.160 -11.840 1.00 0.00 H new ATOM 0 HG2 LYS A 55 118.046 -11.150 -12.416 1.00 0.00 H new ATOM 0 HG3 LYS A 55 116.663 -10.110 -12.690 1.00 0.00 H new ATOM 0 HD2 LYS A 55 117.877 -8.909 -14.494 1.00 0.00 H new ATOM 0 HD3 LYS A 55 119.323 -9.848 -14.181 1.00 0.00 H new ATOM 0 HE2 LYS A 55 118.108 -10.844 -16.106 1.00 0.00 H new ATOM 0 HE3 LYS A 55 118.051 -11.965 -14.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 115.843 -11.260 -15.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 115.865 -11.405 -14.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 115.965 -9.871 -14.976 1.00 0.00 H new ATOM 884 N MET A 56 118.072 -8.051 -8.325 1.00 0.00 N ATOM 885 CA MET A 56 118.839 -7.223 -7.357 1.00 0.00 C ATOM 886 C MET A 56 119.964 -8.069 -6.740 1.00 0.00 C ATOM 887 O MET A 56 120.885 -7.543 -6.145 1.00 0.00 O ATOM 888 CB MET A 56 117.834 -6.779 -6.296 1.00 0.00 C ATOM 889 CG MET A 56 116.961 -5.643 -6.832 1.00 0.00 C ATOM 890 SD MET A 56 115.758 -5.169 -5.564 1.00 0.00 S ATOM 891 CE MET A 56 116.920 -4.342 -4.446 1.00 0.00 C ATOM 0 H MET A 56 117.108 -8.258 -8.064 1.00 0.00 H new ATOM 0 HA MET A 56 119.307 -6.359 -7.828 1.00 0.00 H new ATOM 0 HB2 MET A 56 117.207 -7.622 -6.004 1.00 0.00 H new ATOM 0 HB3 MET A 56 118.362 -6.450 -5.401 1.00 0.00 H new ATOM 0 HG2 MET A 56 117.581 -4.787 -7.101 1.00 0.00 H new ATOM 0 HG3 MET A 56 116.446 -5.961 -7.739 1.00 0.00 H new ATOM 0 HE1 MET A 56 116.365 -3.798 -3.681 1.00 0.00 H new ATOM 0 HE2 MET A 56 117.559 -5.086 -3.970 1.00 0.00 H new ATOM 0 HE3 MET A 56 117.536 -3.644 -5.013 1.00 0.00 H new ATOM 901 N ASP A 57 119.915 -9.375 -6.900 1.00 0.00 N ATOM 902 CA ASP A 57 121.008 -10.235 -6.348 1.00 0.00 C ATOM 903 C ASP A 57 122.263 -10.131 -7.226 1.00 0.00 C ATOM 904 O ASP A 57 123.296 -10.693 -6.917 1.00 0.00 O ATOM 905 CB ASP A 57 120.461 -11.663 -6.367 1.00 0.00 C ATOM 906 CG ASP A 57 119.290 -11.790 -5.393 1.00 0.00 C ATOM 907 OD1 ASP A 57 119.376 -11.222 -4.317 1.00 0.00 O1- ATOM 908 OD2 ASP A 57 118.331 -12.461 -5.737 1.00 0.00 O ATOM 0 H ASP A 57 119.170 -9.876 -7.385 1.00 0.00 H new ATOM 0 HA ASP A 57 121.294 -9.928 -5.342 1.00 0.00 H new ATOM 0 HB2 ASP A 57 120.136 -11.923 -7.374 1.00 0.00 H new ATOM 0 HB3 ASP A 57 121.248 -12.366 -6.095 1.00 0.00 H new ATOM 913 N ASN A 58 122.190 -9.404 -8.306 1.00 0.00 N ATOM 914 CA ASN A 58 123.374 -9.243 -9.182 1.00 0.00 C ATOM 915 C ASN A 58 124.350 -8.249 -8.557 1.00 0.00 C ATOM 916 O ASN A 58 124.606 -7.190 -9.094 1.00 0.00 O ATOM 917 CB ASN A 58 122.820 -8.684 -10.488 1.00 0.00 C ATOM 918 CG ASN A 58 123.943 -8.630 -11.523 1.00 0.00 C ATOM 919 OD1 ASN A 58 124.559 -9.634 -11.821 1.00 0.00 O ATOM 920 ND2 ASN A 58 124.242 -7.490 -12.077 1.00 0.00 N ATOM 0 H ASN A 58 121.352 -8.912 -8.618 1.00 0.00 H new ATOM 0 HA ASN A 58 123.913 -10.179 -9.330 1.00 0.00 H new ATOM 0 HB2 ASN A 58 122.005 -9.311 -10.850 1.00 0.00 H new ATOM 0 HB3 ASN A 58 122.409 -7.688 -10.326 1.00 0.00 H new ATOM 0 HD21 ASN A 58 124.995 -7.438 -12.763 1.00 0.00 H new ATOM 0 HD22 ASN A 58 123.723 -6.649 -11.825 1.00 0.00 H new ATOM 927 N THR A 59 124.918 -8.597 -7.435 1.00 0.00 N ATOM 928 CA THR A 59 125.902 -7.690 -6.788 1.00 0.00 C ATOM 929 C THR A 59 127.115 -8.498 -6.333 1.00 0.00 C ATOM 930 O THR A 59 127.029 -9.680 -6.061 1.00 0.00 O ATOM 931 CB THR A 59 125.178 -7.059 -5.602 1.00 0.00 C ATOM 932 OG1 THR A 59 124.799 -8.069 -4.685 1.00 0.00 O ATOM 933 CG2 THR A 59 123.937 -6.327 -6.104 1.00 0.00 C ATOM 0 H THR A 59 124.742 -9.471 -6.940 1.00 0.00 H new ATOM 0 HA THR A 59 126.265 -6.919 -7.468 1.00 0.00 H new ATOM 0 HB THR A 59 125.840 -6.353 -5.101 1.00 0.00 H new ATOM 0 HG1 THR A 59 124.082 -7.734 -4.107 1.00 0.00 H new ATOM 0 HG21 THR A 59 123.416 -5.874 -5.261 1.00 0.00 H new ATOM 0 HG22 THR A 59 124.233 -5.549 -6.808 1.00 0.00 H new ATOM 0 HG23 THR A 59 123.274 -7.034 -6.603 1.00 0.00 H new ATOM 941 N LYS A 60 128.251 -7.868 -6.305 1.00 0.00 N ATOM 942 CA LYS A 60 129.509 -8.573 -5.928 1.00 0.00 C ATOM 943 C LYS A 60 129.507 -9.071 -4.478 1.00 0.00 C ATOM 944 O LYS A 60 129.862 -10.202 -4.209 1.00 0.00 O ATOM 945 CB LYS A 60 130.600 -7.517 -6.122 1.00 0.00 C ATOM 946 CG LYS A 60 131.976 -8.140 -5.897 1.00 0.00 C ATOM 947 CD LYS A 60 133.063 -7.102 -6.195 1.00 0.00 C ATOM 948 CE LYS A 60 134.445 -7.728 -5.988 1.00 0.00 C ATOM 949 NZ LYS A 60 134.550 -7.946 -4.518 1.00 0.00 N1+ ATOM 0 H LYS A 60 128.366 -6.880 -6.530 1.00 0.00 H new ATOM 0 HA LYS A 60 129.651 -9.469 -6.533 1.00 0.00 H new ATOM 0 HB2 LYS A 60 130.540 -7.101 -7.128 1.00 0.00 H new ATOM 0 HB3 LYS A 60 130.447 -6.692 -5.426 1.00 0.00 H new ATOM 0 HG2 LYS A 60 132.065 -8.490 -4.868 1.00 0.00 H new ATOM 0 HG3 LYS A 60 132.103 -9.010 -6.541 1.00 0.00 H new ATOM 0 HD2 LYS A 60 132.965 -6.743 -7.220 1.00 0.00 H new ATOM 0 HD3 LYS A 60 132.943 -6.238 -5.542 1.00 0.00 H new ATOM 0 HE2 LYS A 60 134.540 -8.666 -6.534 1.00 0.00 H new ATOM 0 HE3 LYS A 60 135.235 -7.069 -6.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 135.552 -7.960 -4.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 134.063 -7.176 -4.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 134.109 -8.854 -4.269 1.00 0.00 H new ATOM 963 N LEU A 61 129.127 -8.248 -3.540 1.00 0.00 N ATOM 964 CA LEU A 61 129.130 -8.700 -2.119 1.00 0.00 C ATOM 965 C LEU A 61 127.739 -9.185 -1.684 1.00 0.00 C ATOM 966 O LEU A 61 127.565 -9.599 -0.554 1.00 0.00 O ATOM 967 CB LEU A 61 129.559 -7.471 -1.311 1.00 0.00 C ATOM 968 CG LEU A 61 130.961 -7.019 -1.731 1.00 0.00 C ATOM 969 CD1 LEU A 61 131.292 -5.684 -1.057 1.00 0.00 C ATOM 970 CD2 LEU A 61 131.992 -8.063 -1.298 1.00 0.00 C ATOM 0 H LEU A 61 128.816 -7.289 -3.693 1.00 0.00 H new ATOM 0 HA LEU A 61 129.802 -9.545 -1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 61 128.847 -6.660 -1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 61 129.549 -7.706 -0.247 1.00 0.00 H new ATOM 0 HG LEU A 61 130.988 -6.904 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 61 132.290 -5.363 -1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 61 130.563 -4.933 -1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 61 131.259 -5.805 0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 61 132.988 -7.737 -1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 61 131.960 -8.179 -0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 61 131.764 -9.018 -1.772 1.00 0.00 H new ATOM 982 N GLN A 62 126.757 -9.128 -2.558 1.00 0.00 N ATOM 983 CA GLN A 62 125.373 -9.593 -2.208 1.00 0.00 C ATOM 984 C GLN A 62 124.789 -8.788 -1.049 1.00 0.00 C ATOM 985 O GLN A 62 124.207 -9.307 -0.121 1.00 0.00 O ATOM 986 CB GLN A 62 125.515 -11.072 -1.817 1.00 0.00 C ATOM 987 CG GLN A 62 125.866 -11.891 -3.056 1.00 0.00 C ATOM 988 CD GLN A 62 126.088 -13.350 -2.653 1.00 0.00 C ATOM 989 OE1 GLN A 62 125.268 -13.935 -1.974 1.00 0.00 O ATOM 990 NE2 GLN A 62 127.173 -13.962 -3.040 1.00 0.00 N ATOM 0 H GLN A 62 126.858 -8.775 -3.510 1.00 0.00 H new ATOM 0 HA GLN A 62 124.692 -9.457 -3.049 1.00 0.00 H new ATOM 0 HB2 GLN A 62 126.291 -11.187 -1.060 1.00 0.00 H new ATOM 0 HB3 GLN A 62 124.585 -11.435 -1.379 1.00 0.00 H new ATOM 0 HG2 GLN A 62 125.063 -11.823 -3.790 1.00 0.00 H new ATOM 0 HG3 GLN A 62 126.764 -11.492 -3.527 1.00 0.00 H new ATOM 0 HE21 GLN A 62 127.861 -13.469 -3.610 1.00 0.00 H new ATOM 0 HE22 GLN A 62 127.334 -14.933 -2.773 1.00 0.00 H new ATOM 999 N ASN A 63 124.954 -7.498 -1.137 1.00 0.00 N ATOM 1000 CA ASN A 63 124.443 -6.566 -0.097 1.00 0.00 C ATOM 1001 C ASN A 63 123.443 -5.571 -0.691 1.00 0.00 C ATOM 1002 O ASN A 63 123.541 -4.377 -0.488 1.00 0.00 O ATOM 1003 CB ASN A 63 125.689 -5.852 0.417 1.00 0.00 C ATOM 1004 CG ASN A 63 126.378 -6.753 1.438 1.00 0.00 C ATOM 1005 OD1 ASN A 63 126.032 -6.745 2.602 1.00 0.00 O ATOM 1006 ND2 ASN A 63 127.331 -7.548 1.046 1.00 0.00 N ATOM 0 H ASN A 63 125.436 -7.039 -1.910 1.00 0.00 H new ATOM 0 HA ASN A 63 123.907 -7.086 0.697 1.00 0.00 H new ATOM 0 HB2 ASN A 63 126.365 -5.629 -0.408 1.00 0.00 H new ATOM 0 HB3 ASN A 63 125.419 -4.900 0.874 1.00 0.00 H new ATOM 0 HD21 ASN A 63 127.788 -8.165 1.717 1.00 0.00 H new ATOM 0 HD22 ASN A 63 127.621 -7.554 0.068 1.00 0.00 H new ATOM 1013 N GLY A 64 122.461 -6.064 -1.393 1.00 0.00 N ATOM 1014 CA GLY A 64 121.423 -5.161 -1.969 1.00 0.00 C ATOM 1015 C GLY A 64 120.195 -5.193 -1.051 1.00 0.00 C ATOM 1016 O GLY A 64 119.833 -6.228 -0.527 1.00 0.00 O ATOM 0 H GLY A 64 122.331 -7.056 -1.594 1.00 0.00 H new ATOM 0 HA2 GLY A 64 121.808 -4.145 -2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 64 121.154 -5.484 -2.975 1.00 0.00 H new ATOM 1020 N VAL A 65 119.550 -4.074 -0.841 1.00 0.00 N ATOM 1021 CA VAL A 65 118.351 -4.077 0.053 1.00 0.00 C ATOM 1022 C VAL A 65 117.122 -3.550 -0.700 1.00 0.00 C ATOM 1023 O VAL A 65 117.175 -2.544 -1.369 1.00 0.00 O ATOM 1024 CB VAL A 65 118.713 -3.158 1.230 1.00 0.00 C ATOM 1025 CG1 VAL A 65 117.471 -2.872 2.091 1.00 0.00 C ATOM 1026 CG2 VAL A 65 119.761 -3.837 2.095 1.00 0.00 C ATOM 0 H VAL A 65 119.796 -3.170 -1.243 1.00 0.00 H new ATOM 0 HA VAL A 65 118.099 -5.081 0.396 1.00 0.00 H new ATOM 0 HB VAL A 65 119.099 -2.219 0.833 1.00 0.00 H new ATOM 0 HG11 VAL A 65 117.745 -2.220 2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 65 116.710 -2.384 1.482 1.00 0.00 H new ATOM 0 HG13 VAL A 65 117.076 -3.809 2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 65 120.020 -3.187 2.931 1.00 0.00 H new ATOM 0 HG22 VAL A 65 119.364 -4.778 2.476 1.00 0.00 H new ATOM 0 HG23 VAL A 65 120.652 -4.034 1.499 1.00 0.00 H new ATOM 1036 N LEU A 66 116.018 -4.227 -0.567 1.00 0.00 N ATOM 1037 CA LEU A 66 114.779 -3.775 -1.256 1.00 0.00 C ATOM 1038 C LEU A 66 113.709 -3.410 -0.222 1.00 0.00 C ATOM 1039 O LEU A 66 113.352 -4.208 0.623 1.00 0.00 O ATOM 1040 CB LEU A 66 114.334 -4.996 -2.058 1.00 0.00 C ATOM 1041 CG LEU A 66 113.145 -4.619 -2.943 1.00 0.00 C ATOM 1042 CD1 LEU A 66 113.560 -3.520 -3.923 1.00 0.00 C ATOM 1043 CD2 LEU A 66 112.677 -5.854 -3.719 1.00 0.00 C ATOM 0 H LEU A 66 115.920 -5.076 -0.010 1.00 0.00 H new ATOM 0 HA LEU A 66 114.939 -2.895 -1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 66 115.157 -5.361 -2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 66 114.057 -5.806 -1.384 1.00 0.00 H new ATOM 0 HG LEU A 66 112.330 -4.252 -2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 66 112.711 -3.254 -4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 66 113.889 -2.642 -3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 66 114.376 -3.880 -4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 66 111.829 -5.587 -4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 66 113.492 -6.223 -4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 66 112.376 -6.632 -3.017 1.00 0.00 H new ATOM 1055 N ILE A 67 113.194 -2.214 -0.285 1.00 0.00 N ATOM 1056 CA ILE A 67 112.148 -1.823 0.708 1.00 0.00 C ATOM 1057 C ILE A 67 110.764 -1.884 0.060 1.00 0.00 C ATOM 1058 O ILE A 67 110.397 -1.035 -0.726 1.00 0.00 O ATOM 1059 CB ILE A 67 112.496 -0.399 1.140 1.00 0.00 C ATOM 1060 CG1 ILE A 67 113.865 -0.394 1.820 1.00 0.00 C ATOM 1061 CG2 ILE A 67 111.440 0.113 2.121 1.00 0.00 C ATOM 1062 CD1 ILE A 67 114.306 1.049 2.073 1.00 0.00 C ATOM 0 H ILE A 67 113.445 -1.499 -0.968 1.00 0.00 H new ATOM 0 HA ILE A 67 112.124 -2.495 1.566 1.00 0.00 H new ATOM 0 HB ILE A 67 112.521 0.249 0.264 1.00 0.00 H new ATOM 0 HG12 ILE A 67 113.817 -0.941 2.762 1.00 0.00 H new ATOM 0 HG13 ILE A 67 114.596 -0.904 1.193 1.00 0.00 H new ATOM 0 HG21 ILE A 67 111.690 1.129 2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 67 110.463 0.110 1.638 1.00 0.00 H new ATOM 0 HG23 ILE A 67 111.413 -0.534 2.997 1.00 0.00 H new ATOM 0 HD11 ILE A 67 115.282 1.051 2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 67 114.371 1.581 1.124 1.00 0.00 H new ATOM 0 HD13 ILE A 67 113.580 1.544 2.718 1.00 0.00 H new ATOM 1074 N TYR A 68 109.996 -2.887 0.383 1.00 0.00 N ATOM 1075 CA TYR A 68 108.643 -3.009 -0.222 1.00 0.00 C ATOM 1076 C TYR A 68 107.602 -2.336 0.681 1.00 0.00 C ATOM 1077 O TYR A 68 107.460 -2.672 1.840 1.00 0.00 O ATOM 1078 CB TYR A 68 108.407 -4.517 -0.303 1.00 0.00 C ATOM 1079 CG TYR A 68 107.142 -4.797 -1.071 1.00 0.00 C ATOM 1080 CD1 TYR A 68 107.186 -4.945 -2.463 1.00 0.00 C ATOM 1081 CD2 TYR A 68 105.926 -4.913 -0.392 1.00 0.00 C ATOM 1082 CE1 TYR A 68 106.012 -5.211 -3.175 1.00 0.00 C ATOM 1083 CE2 TYR A 68 104.751 -5.177 -1.104 1.00 0.00 C ATOM 1084 CZ TYR A 68 104.794 -5.327 -2.496 1.00 0.00 C ATOM 1085 OH TYR A 68 103.637 -5.587 -3.197 1.00 0.00 O ATOM 0 H TYR A 68 110.248 -3.626 1.039 1.00 0.00 H new ATOM 0 HA TYR A 68 108.564 -2.527 -1.197 1.00 0.00 H new ATOM 0 HB2 TYR A 68 109.253 -5.001 -0.791 1.00 0.00 H new ATOM 0 HB3 TYR A 68 108.334 -4.937 0.700 1.00 0.00 H new ATOM 0 HD1 TYR A 68 108.126 -4.854 -2.986 1.00 0.00 H new ATOM 0 HD2 TYR A 68 105.893 -4.799 0.681 1.00 0.00 H new ATOM 0 HE1 TYR A 68 106.045 -5.327 -4.248 1.00 0.00 H new ATOM 0 HE2 TYR A 68 103.811 -5.265 -0.580 1.00 0.00 H new ATOM 0 HH TYR A 68 102.882 -5.638 -2.575 1.00 0.00 H new ATOM 1095 N VAL A 69 106.893 -1.370 0.162 1.00 0.00 N ATOM 1096 CA VAL A 69 105.882 -0.654 0.994 1.00 0.00 C ATOM 1097 C VAL A 69 104.483 -0.746 0.363 1.00 0.00 C ATOM 1098 O VAL A 69 104.282 -0.430 -0.791 1.00 0.00 O ATOM 1099 CB VAL A 69 106.372 0.803 1.020 1.00 0.00 C ATOM 1100 CG1 VAL A 69 105.307 1.725 1.638 1.00 0.00 C ATOM 1101 CG2 VAL A 69 107.646 0.895 1.858 1.00 0.00 C ATOM 0 H VAL A 69 106.970 -1.045 -0.802 1.00 0.00 H new ATOM 0 HA VAL A 69 105.791 -1.082 1.992 1.00 0.00 H new ATOM 0 HB VAL A 69 106.566 1.119 -0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 69 105.675 2.751 1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 69 104.393 1.672 1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 69 105.098 1.406 2.659 1.00 0.00 H new ATOM 0 HG21 VAL A 69 107.995 1.927 1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 69 107.437 0.563 2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 69 108.416 0.260 1.420 1.00 0.00 H new ATOM 1111 N ALA A 70 103.519 -1.128 1.153 1.00 0.00 N ATOM 1112 CA ALA A 70 102.115 -1.205 0.666 1.00 0.00 C ATOM 1113 C ALA A 70 101.389 0.070 1.083 1.00 0.00 C ATOM 1114 O ALA A 70 100.986 0.209 2.219 1.00 0.00 O ATOM 1115 CB ALA A 70 101.516 -2.411 1.392 1.00 0.00 C ATOM 0 H ALA A 70 103.647 -1.394 2.129 1.00 0.00 H new ATOM 0 HA ALA A 70 102.038 -1.305 -0.417 1.00 0.00 H new ATOM 0 HB1 ALA A 70 100.477 -2.539 1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 70 102.082 -3.307 1.137 1.00 0.00 H new ATOM 0 HB3 ALA A 70 101.562 -2.247 2.469 1.00 0.00 H new ATOM 1121 N VAL A 71 101.241 1.015 0.199 1.00 0.00 N ATOM 1122 CA VAL A 71 100.563 2.285 0.593 1.00 0.00 C ATOM 1123 C VAL A 71 99.076 2.035 0.869 1.00 0.00 C ATOM 1124 O VAL A 71 98.434 2.793 1.569 1.00 0.00 O ATOM 1125 CB VAL A 71 100.763 3.233 -0.585 1.00 0.00 C ATOM 1126 CG1 VAL A 71 102.261 3.431 -0.815 1.00 0.00 C ATOM 1127 CG2 VAL A 71 100.134 2.629 -1.840 1.00 0.00 C ATOM 0 H VAL A 71 101.556 0.967 -0.770 1.00 0.00 H new ATOM 0 HA VAL A 71 100.975 2.705 1.510 1.00 0.00 H new ATOM 0 HB VAL A 71 100.291 4.191 -0.370 1.00 0.00 H new ATOM 0 HG11 VAL A 71 102.414 4.108 -1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 71 102.713 3.857 0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 71 102.726 2.470 -1.034 1.00 0.00 H new ATOM 0 HG21 VAL A 71 100.277 3.307 -2.681 1.00 0.00 H new ATOM 0 HG22 VAL A 71 100.608 1.672 -2.060 1.00 0.00 H new ATOM 0 HG23 VAL A 71 99.067 2.476 -1.675 1.00 0.00 H new ATOM 1137 N GLU A 72 98.528 0.964 0.360 1.00 0.00 N ATOM 1138 CA GLU A 72 97.094 0.662 0.640 1.00 0.00 C ATOM 1139 C GLU A 72 96.935 0.239 2.103 1.00 0.00 C ATOM 1140 O GLU A 72 96.079 0.730 2.811 1.00 0.00 O ATOM 1141 CB GLU A 72 96.747 -0.498 -0.297 1.00 0.00 C ATOM 1142 CG GLU A 72 96.713 0.019 -1.736 1.00 0.00 C ATOM 1143 CD GLU A 72 95.550 1.002 -1.908 1.00 0.00 C ATOM 1144 OE1 GLU A 72 94.743 1.107 -0.997 1.00 0.00 O ATOM 1145 OE2 GLU A 72 95.484 1.635 -2.949 1.00 0.00 O1- ATOM 0 H GLU A 72 99.008 0.288 -0.234 1.00 0.00 H new ATOM 0 HA GLU A 72 96.443 1.521 0.479 1.00 0.00 H new ATOM 0 HB2 GLU A 72 97.485 -1.294 -0.200 1.00 0.00 H new ATOM 0 HB3 GLU A 72 95.781 -0.924 -0.027 1.00 0.00 H new ATOM 0 HG2 GLU A 72 97.655 0.511 -1.978 1.00 0.00 H new ATOM 0 HG3 GLU A 72 96.602 -0.815 -2.429 1.00 0.00 H new ATOM 1152 N ASP A 73 97.764 -0.657 2.566 1.00 0.00 N ATOM 1153 CA ASP A 73 97.668 -1.087 3.996 1.00 0.00 C ATOM 1154 C ASP A 73 98.690 -0.329 4.858 1.00 0.00 C ATOM 1155 O ASP A 73 98.817 -0.574 6.042 1.00 0.00 O ATOM 1156 CB ASP A 73 97.971 -2.588 3.986 1.00 0.00 C ATOM 1157 CG ASP A 73 96.846 -3.348 3.275 1.00 0.00 C ATOM 1158 OD1 ASP A 73 95.847 -2.728 2.942 1.00 0.00 O1- ATOM 1159 OD2 ASP A 73 97.005 -4.540 3.067 1.00 0.00 O ATOM 0 H ASP A 73 98.500 -1.109 2.023 1.00 0.00 H new ATOM 0 HA ASP A 73 96.687 -0.876 4.421 1.00 0.00 H new ATOM 0 HB2 ASP A 73 98.920 -2.772 3.482 1.00 0.00 H new ATOM 0 HB3 ASP A 73 98.077 -2.952 5.008 1.00 0.00 H new ATOM 1164 N LYS A 74 99.419 0.591 4.275 1.00 0.00 N ATOM 1165 CA LYS A 74 100.428 1.369 5.052 1.00 0.00 C ATOM 1166 C LYS A 74 101.407 0.431 5.778 1.00 0.00 C ATOM 1167 O LYS A 74 101.704 0.615 6.942 1.00 0.00 O ATOM 1168 CB LYS A 74 99.610 2.192 6.054 1.00 0.00 C ATOM 1169 CG LYS A 74 100.086 3.650 6.043 1.00 0.00 C ATOM 1170 CD LYS A 74 99.152 4.493 6.915 1.00 0.00 C ATOM 1171 CE LYS A 74 99.280 4.051 8.373 1.00 0.00 C ATOM 1172 NZ LYS A 74 98.353 4.941 9.125 1.00 0.00 N1+ ATOM 0 H LYS A 74 99.356 0.836 3.287 1.00 0.00 H new ATOM 0 HA LYS A 74 101.038 2.002 4.408 1.00 0.00 H new ATOM 0 HB2 LYS A 74 98.551 2.144 5.799 1.00 0.00 H new ATOM 0 HB3 LYS A 74 99.716 1.773 7.055 1.00 0.00 H new ATOM 0 HG2 LYS A 74 101.108 3.714 6.417 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.095 4.034 5.023 1.00 0.00 H new ATOM 0 HD2 LYS A 74 99.404 5.549 6.821 1.00 0.00 H new ATOM 0 HD3 LYS A 74 98.122 4.379 6.578 1.00 0.00 H new ATOM 0 HE2 LYS A 74 99.006 3.003 8.494 1.00 0.00 H new ATOM 0 HE3 LYS A 74 100.305 4.156 8.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 98.384 4.700 10.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 98.642 5.932 8.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 97.384 4.814 8.768 1.00 0.00 H new ATOM 1186 N THR A 75 101.916 -0.570 5.099 1.00 0.00 N ATOM 1187 CA THR A 75 102.881 -1.510 5.755 1.00 0.00 C ATOM 1188 C THR A 75 104.215 -1.524 4.991 1.00 0.00 C ATOM 1189 O THR A 75 104.254 -1.638 3.782 1.00 0.00 O ATOM 1190 CB THR A 75 102.215 -2.887 5.699 1.00 0.00 C ATOM 1191 OG1 THR A 75 100.964 -2.836 6.372 1.00 0.00 O ATOM 1192 CG2 THR A 75 103.119 -3.916 6.378 1.00 0.00 C ATOM 0 H THR A 75 101.706 -0.776 4.122 1.00 0.00 H new ATOM 0 HA THR A 75 103.104 -1.213 6.780 1.00 0.00 H new ATOM 0 HB THR A 75 102.056 -3.173 4.659 1.00 0.00 H new ATOM 0 HG1 THR A 75 100.536 -3.717 6.335 1.00 0.00 H new ATOM 0 HG21 THR A 75 102.646 -4.897 6.339 1.00 0.00 H new ATOM 0 HG22 THR A 75 104.078 -3.955 5.862 1.00 0.00 H new ATOM 0 HG23 THR A 75 103.278 -3.631 7.418 1.00 0.00 H new ATOM 1200 N PHE A 76 105.308 -1.416 5.702 1.00 0.00 N ATOM 1201 CA PHE A 76 106.656 -1.422 5.047 1.00 0.00 C ATOM 1202 C PHE A 76 107.430 -2.701 5.419 1.00 0.00 C ATOM 1203 O PHE A 76 107.399 -3.146 6.551 1.00 0.00 O ATOM 1204 CB PHE A 76 107.367 -0.182 5.607 1.00 0.00 C ATOM 1205 CG PHE A 76 107.557 -0.329 7.103 1.00 0.00 C ATOM 1206 CD1 PHE A 76 108.695 -0.976 7.595 1.00 0.00 C ATOM 1207 CD2 PHE A 76 106.595 0.169 7.990 1.00 0.00 C ATOM 1208 CE1 PHE A 76 108.872 -1.125 8.976 1.00 0.00 C ATOM 1209 CE2 PHE A 76 106.771 0.020 9.368 1.00 0.00 C ATOM 1210 CZ PHE A 76 107.910 -0.626 9.862 1.00 0.00 C ATOM 0 H PHE A 76 105.327 -1.323 6.718 1.00 0.00 H new ATOM 0 HA PHE A 76 106.587 -1.403 3.959 1.00 0.00 H new ATOM 0 HB2 PHE A 76 108.334 -0.055 5.119 1.00 0.00 H new ATOM 0 HB3 PHE A 76 106.782 0.712 5.392 1.00 0.00 H new ATOM 0 HD1 PHE A 76 109.437 -1.360 6.910 1.00 0.00 H new ATOM 0 HD2 PHE A 76 105.717 0.669 7.609 1.00 0.00 H new ATOM 0 HE1 PHE A 76 109.750 -1.625 9.357 1.00 0.00 H new ATOM 0 HE2 PHE A 76 106.028 0.403 10.052 1.00 0.00 H new ATOM 0 HZ PHE A 76 108.047 -0.740 10.927 1.00 0.00 H new ATOM 1220 N VAL A 77 108.124 -3.286 4.478 1.00 0.00 N ATOM 1221 CA VAL A 77 108.904 -4.530 4.771 1.00 0.00 C ATOM 1222 C VAL A 77 110.342 -4.368 4.242 1.00 0.00 C ATOM 1223 O VAL A 77 110.547 -3.823 3.176 1.00 0.00 O ATOM 1224 CB VAL A 77 108.155 -5.644 4.020 1.00 0.00 C ATOM 1225 CG1 VAL A 77 108.990 -6.930 3.993 1.00 0.00 C ATOM 1226 CG2 VAL A 77 106.827 -5.931 4.730 1.00 0.00 C ATOM 0 H VAL A 77 108.186 -2.956 3.515 1.00 0.00 H new ATOM 0 HA VAL A 77 108.981 -4.750 5.836 1.00 0.00 H new ATOM 0 HB VAL A 77 107.974 -5.314 2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 77 108.444 -7.707 3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 77 109.937 -6.738 3.488 1.00 0.00 H new ATOM 0 HG13 VAL A 77 109.183 -7.260 5.014 1.00 0.00 H new ATOM 0 HG21 VAL A 77 106.294 -6.720 4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 77 107.023 -6.250 5.754 1.00 0.00 H new ATOM 0 HG23 VAL A 77 106.218 -5.027 4.742 1.00 0.00 H new ATOM 1236 N ILE A 78 111.335 -4.836 4.958 1.00 0.00 N ATOM 1237 CA ILE A 78 112.733 -4.688 4.448 1.00 0.00 C ATOM 1238 C ILE A 78 113.384 -6.060 4.218 1.00 0.00 C ATOM 1239 O ILE A 78 113.420 -6.903 5.092 1.00 0.00 O ATOM 1240 CB ILE A 78 113.496 -3.916 5.528 1.00 0.00 C ATOM 1241 CG1 ILE A 78 112.857 -2.537 5.733 1.00 0.00 C ATOM 1242 CG2 ILE A 78 114.948 -3.731 5.078 1.00 0.00 C ATOM 1243 CD1 ILE A 78 113.467 -1.865 6.967 1.00 0.00 C ATOM 0 H ILE A 78 111.241 -5.306 5.858 1.00 0.00 H new ATOM 0 HA ILE A 78 112.747 -4.167 3.491 1.00 0.00 H new ATOM 0 HB ILE A 78 113.460 -4.474 6.464 1.00 0.00 H new ATOM 0 HG12 ILE A 78 113.018 -1.916 4.852 1.00 0.00 H new ATOM 0 HG13 ILE A 78 111.779 -2.640 5.858 1.00 0.00 H new ATOM 0 HG21 ILE A 78 115.498 -3.182 5.842 1.00 0.00 H new ATOM 0 HG22 ILE A 78 115.410 -4.707 4.929 1.00 0.00 H new ATOM 0 HG23 ILE A 78 114.971 -3.172 4.142 1.00 0.00 H new ATOM 0 HD11 ILE A 78 113.011 -0.885 7.110 1.00 0.00 H new ATOM 0 HD12 ILE A 78 113.283 -2.483 7.846 1.00 0.00 H new ATOM 0 HD13 ILE A 78 114.541 -1.748 6.824 1.00 0.00 H new ATOM 1255 N TYR A 79 113.920 -6.266 3.045 1.00 0.00 N ATOM 1256 CA TYR A 79 114.601 -7.560 2.732 1.00 0.00 C ATOM 1257 C TYR A 79 115.980 -7.300 2.125 1.00 0.00 C ATOM 1258 O TYR A 79 116.102 -6.747 1.050 1.00 0.00 O ATOM 1259 CB TYR A 79 113.709 -8.279 1.714 1.00 0.00 C ATOM 1260 CG TYR A 79 114.369 -9.588 1.322 1.00 0.00 C ATOM 1261 CD1 TYR A 79 114.747 -10.494 2.320 1.00 0.00 C ATOM 1262 CD2 TYR A 79 114.619 -9.886 -0.027 1.00 0.00 C ATOM 1263 CE1 TYR A 79 115.372 -11.698 1.974 1.00 0.00 C ATOM 1264 CE2 TYR A 79 115.242 -11.094 -0.370 1.00 0.00 C ATOM 1265 CZ TYR A 79 115.618 -11.999 0.630 1.00 0.00 C ATOM 1266 OH TYR A 79 116.234 -13.187 0.290 1.00 0.00 O ATOM 0 H TYR A 79 113.916 -5.589 2.282 1.00 0.00 H new ATOM 0 HA TYR A 79 114.744 -8.158 3.632 1.00 0.00 H new ATOM 0 HB2 TYR A 79 112.724 -8.466 2.142 1.00 0.00 H new ATOM 0 HB3 TYR A 79 113.561 -7.653 0.834 1.00 0.00 H new ATOM 0 HD1 TYR A 79 114.556 -10.264 3.358 1.00 0.00 H new ATOM 0 HD2 TYR A 79 114.332 -9.187 -0.798 1.00 0.00 H new ATOM 0 HE1 TYR A 79 115.665 -12.395 2.745 1.00 0.00 H new ATOM 0 HE2 TYR A 79 115.432 -11.327 -1.407 1.00 0.00 H new ATOM 0 HH TYR A 79 116.329 -13.239 -0.684 1.00 0.00 H new ATOM 1276 N GLY A 80 117.015 -7.716 2.797 1.00 0.00 N ATOM 1277 CA GLY A 80 118.380 -7.511 2.256 1.00 0.00 C ATOM 1278 C GLY A 80 118.906 -8.837 1.712 1.00 0.00 C ATOM 1279 O GLY A 80 118.344 -9.889 1.946 1.00 0.00 O ATOM 0 H GLY A 80 116.972 -8.190 3.699 1.00 0.00 H new ATOM 0 HA2 GLY A 80 118.362 -6.761 1.466 1.00 0.00 H new ATOM 0 HA3 GLY A 80 119.042 -7.136 3.037 1.00 0.00 H new ATOM 1283 N ASP A 81 119.980 -8.787 0.977 1.00 0.00 N ATOM 1284 CA ASP A 81 120.547 -10.038 0.398 1.00 0.00 C ATOM 1285 C ASP A 81 121.322 -10.824 1.455 1.00 0.00 C ATOM 1286 O ASP A 81 121.446 -10.412 2.592 1.00 0.00 O ATOM 1287 CB ASP A 81 121.482 -9.580 -0.715 1.00 0.00 C ATOM 1288 CG ASP A 81 120.660 -9.185 -1.939 1.00 0.00 C ATOM 1289 OD1 ASP A 81 119.563 -9.696 -2.072 1.00 0.00 O1- ATOM 1290 OD2 ASP A 81 121.149 -8.393 -2.727 1.00 0.00 O ATOM 0 H ASP A 81 120.491 -7.934 0.751 1.00 0.00 H new ATOM 0 HA ASP A 81 119.764 -10.700 0.028 1.00 0.00 H new ATOM 0 HB2 ASP A 81 122.080 -8.734 -0.377 1.00 0.00 H new ATOM 0 HB3 ASP A 81 122.177 -10.379 -0.973 1.00 0.00 H new ATOM 1295 N LYS A 82 121.837 -11.959 1.080 1.00 0.00 N ATOM 1296 CA LYS A 82 122.603 -12.798 2.042 1.00 0.00 C ATOM 1297 C LYS A 82 123.844 -12.039 2.534 1.00 0.00 C ATOM 1298 O LYS A 82 124.345 -12.280 3.613 1.00 0.00 O ATOM 1299 CB LYS A 82 123.008 -14.044 1.250 1.00 0.00 C ATOM 1300 CG LYS A 82 121.757 -14.836 0.844 1.00 0.00 C ATOM 1301 CD LYS A 82 122.171 -16.069 0.031 1.00 0.00 C ATOM 1302 CE LYS A 82 120.939 -16.921 -0.289 1.00 0.00 C ATOM 1303 NZ LYS A 82 120.229 -16.191 -1.377 1.00 0.00 N1+ ATOM 0 H LYS A 82 121.760 -12.346 0.139 1.00 0.00 H new ATOM 0 HA LYS A 82 122.018 -13.054 2.926 1.00 0.00 H new ATOM 0 HB2 LYS A 82 123.569 -13.754 0.362 1.00 0.00 H new ATOM 0 HB3 LYS A 82 123.666 -14.670 1.853 1.00 0.00 H new ATOM 0 HG2 LYS A 82 121.204 -15.142 1.732 1.00 0.00 H new ATOM 0 HG3 LYS A 82 121.091 -14.206 0.255 1.00 0.00 H new ATOM 0 HD2 LYS A 82 122.659 -15.759 -0.893 1.00 0.00 H new ATOM 0 HD3 LYS A 82 122.896 -16.659 0.592 1.00 0.00 H new ATOM 0 HE2 LYS A 82 121.226 -17.923 -0.609 1.00 0.00 H new ATOM 0 HE3 LYS A 82 120.302 -17.037 0.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 119.255 -15.984 -1.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 120.726 -15.300 -1.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 120.211 -16.779 -2.235 1.00 0.00 H new ATOM 1317 N GLY A 83 124.354 -11.137 1.738 1.00 0.00 N ATOM 1318 CA GLY A 83 125.574 -10.381 2.147 1.00 0.00 C ATOM 1319 C GLY A 83 125.299 -9.554 3.408 1.00 0.00 C ATOM 1320 O GLY A 83 125.979 -9.711 4.406 1.00 0.00 O ATOM 0 H GLY A 83 123.978 -10.891 0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 83 126.393 -11.075 2.333 1.00 0.00 H new ATOM 0 HA3 GLY A 83 125.890 -9.724 1.337 1.00 0.00 H new ATOM 1324 N ILE A 84 124.302 -8.701 3.404 1.00 0.00 N ATOM 1325 CA ILE A 84 124.014 -7.920 4.647 1.00 0.00 C ATOM 1326 C ILE A 84 123.544 -8.893 5.737 1.00 0.00 C ATOM 1327 O ILE A 84 123.929 -8.794 6.879 1.00 0.00 O ATOM 1328 CB ILE A 84 122.913 -6.920 4.280 1.00 0.00 C ATOM 1329 CG1 ILE A 84 123.461 -5.868 3.312 1.00 0.00 C ATOM 1330 CG2 ILE A 84 122.411 -6.213 5.539 1.00 0.00 C ATOM 1331 CD1 ILE A 84 122.325 -4.959 2.880 1.00 0.00 C ATOM 0 H ILE A 84 123.687 -8.515 2.612 1.00 0.00 H new ATOM 0 HA ILE A 84 124.889 -7.391 5.026 1.00 0.00 H new ATOM 0 HB ILE A 84 122.094 -7.464 3.809 1.00 0.00 H new ATOM 0 HG12 ILE A 84 124.247 -5.286 3.793 1.00 0.00 H new ATOM 0 HG13 ILE A 84 123.908 -6.351 2.443 1.00 0.00 H new ATOM 0 HG21 ILE A 84 121.628 -5.504 5.270 1.00 0.00 H new ATOM 0 HG22 ILE A 84 122.010 -6.950 6.235 1.00 0.00 H new ATOM 0 HG23 ILE A 84 123.237 -5.681 6.011 1.00 0.00 H new ATOM 0 HD11 ILE A 84 122.704 -4.205 2.190 1.00 0.00 H new ATOM 0 HD12 ILE A 84 121.555 -5.550 2.384 1.00 0.00 H new ATOM 0 HD13 ILE A 84 121.899 -4.468 3.755 1.00 0.00 H new ATOM 1343 N ASN A 85 122.674 -9.803 5.397 1.00 0.00 N ATOM 1344 CA ASN A 85 122.134 -10.742 6.422 1.00 0.00 C ATOM 1345 C ASN A 85 123.252 -11.585 7.036 1.00 0.00 C ATOM 1346 O ASN A 85 123.233 -11.892 8.211 1.00 0.00 O ATOM 1347 CB ASN A 85 121.147 -11.627 5.661 1.00 0.00 C ATOM 1348 CG ASN A 85 120.575 -12.694 6.596 1.00 0.00 C ATOM 1349 OD1 ASN A 85 120.934 -12.764 7.754 1.00 0.00 O ATOM 1350 ND2 ASN A 85 119.695 -13.539 6.132 1.00 0.00 N ATOM 0 H ASN A 85 122.313 -9.938 4.453 1.00 0.00 H new ATOM 0 HA ASN A 85 121.661 -10.213 7.250 1.00 0.00 H new ATOM 0 HB2 ASN A 85 120.340 -11.019 5.253 1.00 0.00 H new ATOM 0 HB3 ASN A 85 121.647 -12.101 4.817 1.00 0.00 H new ATOM 0 HD21 ASN A 85 119.308 -14.259 6.742 1.00 0.00 H new ATOM 0 HD22 ASN A 85 119.394 -13.479 5.159 1.00 0.00 H new ATOM 1357 N ASP A 86 124.224 -11.966 6.255 1.00 0.00 N ATOM 1358 CA ASP A 86 125.341 -12.787 6.800 1.00 0.00 C ATOM 1359 C ASP A 86 126.324 -11.933 7.609 1.00 0.00 C ATOM 1360 O ASP A 86 127.067 -12.442 8.424 1.00 0.00 O ATOM 1361 CB ASP A 86 126.052 -13.356 5.566 1.00 0.00 C ATOM 1362 CG ASP A 86 125.195 -14.454 4.925 1.00 0.00 C ATOM 1363 OD1 ASP A 86 124.240 -14.880 5.553 1.00 0.00 O ATOM 1364 OD2 ASP A 86 125.519 -14.858 3.820 1.00 0.00 O1- ATOM 0 H ASP A 86 124.293 -11.744 5.262 1.00 0.00 H new ATOM 0 HA ASP A 86 124.969 -13.559 7.473 1.00 0.00 H new ATOM 0 HB2 ASP A 86 126.237 -12.561 4.844 1.00 0.00 H new ATOM 0 HB3 ASP A 86 127.023 -13.761 5.850 1.00 0.00 H new ATOM 1369 N VAL A 87 126.360 -10.640 7.384 1.00 0.00 N ATOM 1370 CA VAL A 87 127.332 -9.793 8.142 1.00 0.00 C ATOM 1371 C VAL A 87 126.659 -8.993 9.271 1.00 0.00 C ATOM 1372 O VAL A 87 127.316 -8.604 10.217 1.00 0.00 O ATOM 1373 CB VAL A 87 127.946 -8.852 7.098 1.00 0.00 C ATOM 1374 CG1 VAL A 87 126.889 -7.872 6.585 1.00 0.00 C ATOM 1375 CG2 VAL A 87 129.097 -8.067 7.736 1.00 0.00 C ATOM 0 H VAL A 87 125.768 -10.142 6.719 1.00 0.00 H new ATOM 0 HA VAL A 87 128.081 -10.411 8.637 1.00 0.00 H new ATOM 0 HB VAL A 87 128.319 -9.444 6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 87 127.336 -7.209 5.844 1.00 0.00 H new ATOM 0 HG12 VAL A 87 126.070 -8.427 6.127 1.00 0.00 H new ATOM 0 HG13 VAL A 87 126.507 -7.281 7.417 1.00 0.00 H new ATOM 0 HG21 VAL A 87 129.535 -7.397 6.996 1.00 0.00 H new ATOM 0 HG22 VAL A 87 128.718 -7.483 8.575 1.00 0.00 H new ATOM 0 HG23 VAL A 87 129.858 -8.762 8.092 1.00 0.00 H new ATOM 1385 N VAL A 88 125.375 -8.734 9.197 1.00 0.00 N ATOM 1386 CA VAL A 88 124.734 -7.951 10.300 1.00 0.00 C ATOM 1387 C VAL A 88 123.641 -8.770 10.991 1.00 0.00 C ATOM 1388 O VAL A 88 123.221 -9.803 10.507 1.00 0.00 O ATOM 1389 CB VAL A 88 124.169 -6.679 9.668 1.00 0.00 C ATOM 1390 CG1 VAL A 88 125.289 -5.921 8.947 1.00 0.00 C ATOM 1391 CG2 VAL A 88 123.062 -7.028 8.680 1.00 0.00 C ATOM 0 H VAL A 88 124.756 -9.023 8.440 1.00 0.00 H new ATOM 0 HA VAL A 88 125.460 -7.701 11.074 1.00 0.00 H new ATOM 0 HB VAL A 88 123.752 -6.048 10.453 1.00 0.00 H new ATOM 0 HG11 VAL A 88 124.884 -5.015 8.497 1.00 0.00 H new ATOM 0 HG12 VAL A 88 126.067 -5.655 9.662 1.00 0.00 H new ATOM 0 HG13 VAL A 88 125.714 -6.554 8.168 1.00 0.00 H new ATOM 0 HG21 VAL A 88 122.668 -6.113 8.237 1.00 0.00 H new ATOM 0 HG22 VAL A 88 123.464 -7.668 7.894 1.00 0.00 H new ATOM 0 HG23 VAL A 88 122.261 -7.553 9.201 1.00 0.00 H new ATOM 1401 N SER A 89 123.222 -8.343 12.148 1.00 0.00 N ATOM 1402 CA SER A 89 122.199 -9.116 12.914 1.00 0.00 C ATOM 1403 C SER A 89 120.838 -8.410 12.950 1.00 0.00 C ATOM 1404 O SER A 89 120.672 -7.321 12.434 1.00 0.00 O ATOM 1405 CB SER A 89 122.785 -9.206 14.323 1.00 0.00 C ATOM 1406 OG SER A 89 122.475 -8.021 15.041 1.00 0.00 O ATOM 0 H SER A 89 123.544 -7.488 12.601 1.00 0.00 H new ATOM 0 HA SER A 89 122.008 -10.087 12.457 1.00 0.00 H new ATOM 0 HB2 SER A 89 122.380 -10.075 14.842 1.00 0.00 H new ATOM 0 HB3 SER A 89 123.865 -9.340 14.271 1.00 0.00 H new ATOM 0 HG SER A 89 122.978 -8.007 15.882 1.00 0.00 H new ATOM 1412 N ASP A 90 119.863 -9.023 13.574 1.00 0.00 N ATOM 1413 CA ASP A 90 118.518 -8.386 13.662 1.00 0.00 C ATOM 1414 C ASP A 90 118.632 -7.081 14.451 1.00 0.00 C ATOM 1415 O ASP A 90 117.980 -6.102 14.148 1.00 0.00 O ATOM 1416 CB ASP A 90 117.634 -9.399 14.395 1.00 0.00 C ATOM 1417 CG ASP A 90 117.076 -10.410 13.389 1.00 0.00 C ATOM 1418 OD1 ASP A 90 116.980 -10.066 12.222 1.00 0.00 O ATOM 1419 OD2 ASP A 90 116.762 -11.515 13.802 1.00 0.00 O1- ATOM 0 H ASP A 90 119.942 -9.935 14.024 1.00 0.00 H new ATOM 0 HA ASP A 90 118.101 -8.140 12.685 1.00 0.00 H new ATOM 0 HB2 ASP A 90 118.212 -9.914 15.162 1.00 0.00 H new ATOM 0 HB3 ASP A 90 116.817 -8.885 14.902 1.00 0.00 H new ATOM 1424 N ASP A 91 119.481 -7.048 15.448 1.00 0.00 N ATOM 1425 CA ASP A 91 119.658 -5.788 16.227 1.00 0.00 C ATOM 1426 C ASP A 91 120.167 -4.697 15.296 1.00 0.00 C ATOM 1427 O ASP A 91 119.768 -3.552 15.383 1.00 0.00 O ATOM 1428 CB ASP A 91 120.704 -6.101 17.303 1.00 0.00 C ATOM 1429 CG ASP A 91 120.036 -6.735 18.525 1.00 0.00 C ATOM 1430 OD1 ASP A 91 118.818 -6.810 18.546 1.00 0.00 O1- ATOM 1431 OD2 ASP A 91 120.758 -7.132 19.426 1.00 0.00 O ATOM 0 H ASP A 91 120.055 -7.834 15.753 1.00 0.00 H new ATOM 0 HA ASP A 91 118.726 -5.444 16.675 1.00 0.00 H new ATOM 0 HB2 ASP A 91 121.458 -6.777 16.901 1.00 0.00 H new ATOM 0 HB3 ASP A 91 121.220 -5.186 17.596 1.00 0.00 H new ATOM 1436 N PHE A 92 121.024 -5.047 14.383 1.00 0.00 N ATOM 1437 CA PHE A 92 121.525 -4.037 13.418 1.00 0.00 C ATOM 1438 C PHE A 92 120.373 -3.618 12.489 1.00 0.00 C ATOM 1439 O PHE A 92 120.354 -2.530 11.947 1.00 0.00 O ATOM 1440 CB PHE A 92 122.664 -4.732 12.666 1.00 0.00 C ATOM 1441 CG PHE A 92 123.195 -3.831 11.580 1.00 0.00 C ATOM 1442 CD1 PHE A 92 122.606 -3.863 10.315 1.00 0.00 C ATOM 1443 CD2 PHE A 92 124.277 -2.974 11.830 1.00 0.00 C ATOM 1444 CE1 PHE A 92 123.093 -3.045 9.295 1.00 0.00 C ATOM 1445 CE2 PHE A 92 124.765 -2.152 10.807 1.00 0.00 C ATOM 1446 CZ PHE A 92 124.172 -2.192 9.539 1.00 0.00 C ATOM 0 H PHE A 92 121.399 -5.988 14.264 1.00 0.00 H new ATOM 0 HA PHE A 92 121.888 -3.124 13.889 1.00 0.00 H new ATOM 0 HB2 PHE A 92 123.465 -4.989 13.360 1.00 0.00 H new ATOM 0 HB3 PHE A 92 122.307 -5.666 12.232 1.00 0.00 H new ATOM 0 HD1 PHE A 92 121.772 -4.522 10.125 1.00 0.00 H new ATOM 0 HD2 PHE A 92 124.732 -2.948 12.809 1.00 0.00 H new ATOM 0 HE1 PHE A 92 122.636 -3.071 8.317 1.00 0.00 H new ATOM 0 HE2 PHE A 92 125.596 -1.489 10.995 1.00 0.00 H new ATOM 0 HZ PHE A 92 124.550 -1.562 8.748 1.00 0.00 H new ATOM 1456 N TRP A 93 119.403 -4.488 12.325 1.00 0.00 N ATOM 1457 CA TRP A 93 118.227 -4.176 11.454 1.00 0.00 C ATOM 1458 C TRP A 93 117.140 -3.430 12.248 1.00 0.00 C ATOM 1459 O TRP A 93 116.309 -2.735 11.697 1.00 0.00 O ATOM 1460 CB TRP A 93 117.705 -5.549 11.017 1.00 0.00 C ATOM 1461 CG TRP A 93 118.281 -5.920 9.688 1.00 0.00 C ATOM 1462 CD1 TRP A 93 119.576 -6.242 9.466 1.00 0.00 C ATOM 1463 CD2 TRP A 93 117.606 -6.024 8.401 1.00 0.00 C ATOM 1464 NE1 TRP A 93 119.740 -6.534 8.125 1.00 0.00 N ATOM 1465 CE2 TRP A 93 118.555 -6.411 7.425 1.00 0.00 C ATOM 1466 CE3 TRP A 93 116.277 -5.819 7.988 1.00 0.00 C ATOM 1467 CZ2 TRP A 93 118.197 -6.590 6.087 1.00 0.00 C ATOM 1468 CZ3 TRP A 93 115.914 -5.998 6.645 1.00 0.00 C ATOM 1469 CH2 TRP A 93 116.872 -6.380 5.697 1.00 0.00 C ATOM 0 H TRP A 93 119.377 -5.409 12.762 1.00 0.00 H new ATOM 0 HA TRP A 93 118.497 -3.536 10.614 1.00 0.00 H new ATOM 0 HB2 TRP A 93 117.971 -6.301 11.760 1.00 0.00 H new ATOM 0 HB3 TRP A 93 116.617 -5.531 10.958 1.00 0.00 H new ATOM 0 HD1 TRP A 93 120.354 -6.267 10.214 1.00 0.00 H new ATOM 0 HE1 TRP A 93 120.628 -6.807 7.703 1.00 0.00 H new ATOM 0 HE3 TRP A 93 115.531 -5.522 8.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 118.938 -6.888 5.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 114.890 -5.840 6.340 1.00 0.00 H new ATOM 0 HH2 TRP A 93 116.586 -6.512 4.664 1.00 0.00 H new ATOM 1480 N ASP A 94 117.104 -3.634 13.538 1.00 0.00 N ATOM 1481 CA ASP A 94 116.033 -3.009 14.370 1.00 0.00 C ATOM 1482 C ASP A 94 116.043 -1.485 14.261 1.00 0.00 C ATOM 1483 O ASP A 94 114.995 -0.863 14.315 1.00 0.00 O ATOM 1484 CB ASP A 94 116.326 -3.443 15.810 1.00 0.00 C ATOM 1485 CG ASP A 94 115.724 -4.828 16.067 1.00 0.00 C ATOM 1486 OD1 ASP A 94 114.910 -5.261 15.268 1.00 0.00 O ATOM 1487 OD2 ASP A 94 116.093 -5.435 17.060 1.00 0.00 O1- ATOM 0 H ASP A 94 117.772 -4.208 14.053 1.00 0.00 H new ATOM 0 HA ASP A 94 115.046 -3.328 14.034 1.00 0.00 H new ATOM 0 HB2 ASP A 94 117.402 -3.467 15.981 1.00 0.00 H new ATOM 0 HB3 ASP A 94 115.908 -2.719 16.510 1.00 0.00 H new ATOM 1492 N THR A 95 117.187 -0.864 14.122 1.00 0.00 N ATOM 1493 CA THR A 95 117.176 0.627 14.027 1.00 0.00 C ATOM 1494 C THR A 95 116.526 1.029 12.701 1.00 0.00 C ATOM 1495 O THR A 95 115.876 2.049 12.584 1.00 0.00 O ATOM 1496 CB THR A 95 118.631 1.073 14.090 1.00 0.00 C ATOM 1497 OG1 THR A 95 119.368 0.419 13.067 1.00 0.00 O ATOM 1498 CG2 THR A 95 119.217 0.719 15.455 1.00 0.00 C ATOM 0 H THR A 95 118.103 -1.309 14.071 1.00 0.00 H new ATOM 0 HA THR A 95 116.608 1.094 14.831 1.00 0.00 H new ATOM 0 HB THR A 95 118.689 2.152 13.945 1.00 0.00 H new ATOM 0 HG1 THR A 95 120.304 0.705 13.104 1.00 0.00 H new ATOM 0 HG21 THR A 95 120.258 1.039 15.498 1.00 0.00 H new ATOM 0 HG22 THR A 95 118.650 1.224 16.237 1.00 0.00 H new ATOM 0 HG23 THR A 95 119.162 -0.359 15.606 1.00 0.00 H new ATOM 1506 N THR A 96 116.719 0.208 11.703 1.00 0.00 N ATOM 1507 CA THR A 96 116.154 0.479 10.349 1.00 0.00 C ATOM 1508 C THR A 96 114.629 0.576 10.405 1.00 0.00 C ATOM 1509 O THR A 96 114.015 1.487 9.880 1.00 0.00 O ATOM 1510 CB THR A 96 116.531 -0.776 9.549 1.00 0.00 C ATOM 1511 OG1 THR A 96 117.910 -1.062 9.753 1.00 0.00 O ATOM 1512 CG2 THR A 96 116.281 -0.526 8.063 1.00 0.00 C ATOM 0 H THR A 96 117.256 -0.657 11.771 1.00 0.00 H new ATOM 0 HA THR A 96 116.526 1.412 9.927 1.00 0.00 H new ATOM 0 HB THR A 96 115.926 -1.619 9.882 1.00 0.00 H new ATOM 0 HG1 THR A 96 118.156 -1.864 9.246 1.00 0.00 H new ATOM 0 HG21 THR A 96 116.548 -1.417 7.494 1.00 0.00 H new ATOM 0 HG22 THR A 96 115.227 -0.297 7.905 1.00 0.00 H new ATOM 0 HG23 THR A 96 116.889 0.314 7.728 1.00 0.00 H new ATOM 1520 N ARG A 97 114.029 -0.388 11.048 1.00 0.00 N ATOM 1521 CA ARG A 97 112.545 -0.434 11.176 1.00 0.00 C ATOM 1522 C ARG A 97 112.013 0.658 12.107 1.00 0.00 C ATOM 1523 O ARG A 97 110.953 1.206 11.872 1.00 0.00 O ATOM 1524 CB ARG A 97 112.264 -1.816 11.757 1.00 0.00 C ATOM 1525 CG ARG A 97 112.601 -2.876 10.710 1.00 0.00 C ATOM 1526 CD ARG A 97 112.398 -4.266 11.310 1.00 0.00 C ATOM 1527 NE ARG A 97 112.708 -5.210 10.206 1.00 0.00 N ATOM 1528 CZ ARG A 97 112.655 -6.493 10.422 1.00 0.00 C ATOM 1529 NH1 ARG A 97 111.515 -7.118 10.312 1.00 0.00 N ATOM 1530 NH2 ARG A 97 113.734 -7.148 10.753 1.00 0.00 N1+ ATOM 0 H ARG A 97 114.516 -1.162 11.500 1.00 0.00 H new ATOM 0 HA ARG A 97 112.053 -0.263 10.218 1.00 0.00 H new ATOM 0 HB2 ARG A 97 112.859 -1.974 12.657 1.00 0.00 H new ATOM 0 HB3 ARG A 97 111.217 -1.895 12.049 1.00 0.00 H new ATOM 0 HG2 ARG A 97 111.967 -2.751 9.833 1.00 0.00 H new ATOM 0 HG3 ARG A 97 113.632 -2.759 10.377 1.00 0.00 H new ATOM 0 HD2 ARG A 97 113.056 -4.427 12.164 1.00 0.00 H new ATOM 0 HD3 ARG A 97 111.376 -4.397 11.666 1.00 0.00 H new ATOM 0 HE ARG A 97 112.961 -4.855 9.284 1.00 0.00 H new ATOM 0 HH11 ARG A 97 110.673 -6.602 10.058 1.00 0.00 H new ATOM 0 HH12 ARG A 97 111.466 -8.123 10.480 1.00 0.00 H new ATOM 0 HH21 ARG A 97 114.622 -6.655 10.843 1.00 0.00 H new ATOM 0 HH22 ARG A 97 113.689 -8.153 10.922 1.00 0.00 H new ATOM 1544 N ASN A 98 112.704 0.965 13.174 1.00 0.00 N ATOM 1545 CA ASN A 98 112.175 2.005 14.105 1.00 0.00 C ATOM 1546 C ASN A 98 112.092 3.359 13.391 1.00 0.00 C ATOM 1547 O ASN A 98 111.110 4.066 13.507 1.00 0.00 O ATOM 1548 CB ASN A 98 113.154 2.045 15.279 1.00 0.00 C ATOM 1549 CG ASN A 98 112.939 0.810 16.158 1.00 0.00 C ATOM 1550 OD1 ASN A 98 111.962 0.106 16.004 1.00 0.00 O ATOM 1551 ND2 ASN A 98 113.811 0.518 17.088 1.00 0.00 N ATOM 0 H ASN A 98 113.597 0.549 13.438 1.00 0.00 H new ATOM 0 HA ASN A 98 111.167 1.777 14.450 1.00 0.00 H new ATOM 0 HB2 ASN A 98 114.180 2.070 14.911 1.00 0.00 H new ATOM 0 HB3 ASN A 98 113.002 2.953 15.863 1.00 0.00 H new ATOM 0 HD21 ASN A 98 113.669 -0.299 17.682 1.00 0.00 H new ATOM 0 HD22 ASN A 98 114.633 1.108 17.220 1.00 0.00 H new ATOM 1558 N ALA A 99 113.097 3.726 12.645 1.00 0.00 N ATOM 1559 CA ALA A 99 113.054 5.031 11.921 1.00 0.00 C ATOM 1560 C ALA A 99 111.931 5.043 10.882 1.00 0.00 C ATOM 1561 O ALA A 99 111.147 5.968 10.811 1.00 0.00 O ATOM 1562 CB ALA A 99 114.412 5.125 11.225 1.00 0.00 C ATOM 0 H ALA A 99 113.947 3.180 12.504 1.00 0.00 H new ATOM 0 HA ALA A 99 112.864 5.866 12.595 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.470 6.058 10.665 1.00 0.00 H new ATOM 0 HB2 ALA A 99 115.206 5.100 11.971 1.00 0.00 H new ATOM 0 HB3 ALA A 99 114.530 4.284 10.542 1.00 0.00 H new ATOM 1568 N ILE A 100 111.839 4.020 10.079 1.00 0.00 N ATOM 1569 CA ILE A 100 110.761 3.974 9.053 1.00 0.00 C ATOM 1570 C ILE A 100 109.395 3.832 9.732 1.00 0.00 C ATOM 1571 O ILE A 100 108.442 4.475 9.359 1.00 0.00 O ATOM 1572 CB ILE A 100 111.092 2.749 8.202 1.00 0.00 C ATOM 1573 CG1 ILE A 100 112.399 3.000 7.452 1.00 0.00 C ATOM 1574 CG2 ILE A 100 109.976 2.502 7.186 1.00 0.00 C ATOM 1575 CD1 ILE A 100 112.904 1.682 6.866 1.00 0.00 C ATOM 0 H ILE A 100 112.464 3.214 10.089 1.00 0.00 H new ATOM 0 HA ILE A 100 110.710 4.880 8.449 1.00 0.00 H new ATOM 0 HB ILE A 100 111.190 1.878 8.850 1.00 0.00 H new ATOM 0 HG12 ILE A 100 112.242 3.729 6.657 1.00 0.00 H new ATOM 0 HG13 ILE A 100 113.144 3.421 8.127 1.00 0.00 H new ATOM 0 HG21 ILE A 100 110.220 1.627 6.583 1.00 0.00 H new ATOM 0 HG22 ILE A 100 109.037 2.330 7.712 1.00 0.00 H new ATOM 0 HG23 ILE A 100 109.875 3.372 6.538 1.00 0.00 H new ATOM 0 HD11 ILE A 100 113.837 1.856 6.330 1.00 0.00 H new ATOM 0 HD12 ILE A 100 113.076 0.968 7.671 1.00 0.00 H new ATOM 0 HD13 ILE A 100 112.160 1.281 6.178 1.00 0.00 H new ATOM 1587 N GLN A 101 109.296 2.996 10.728 1.00 0.00 N ATOM 1588 CA GLN A 101 107.983 2.819 11.419 1.00 0.00 C ATOM 1589 C GLN A 101 107.559 4.119 12.117 1.00 0.00 C ATOM 1590 O GLN A 101 106.403 4.493 12.094 1.00 0.00 O ATOM 1591 CB GLN A 101 108.212 1.709 12.453 1.00 0.00 C ATOM 1592 CG GLN A 101 106.891 1.388 13.161 1.00 0.00 C ATOM 1593 CD GLN A 101 107.082 0.189 14.096 1.00 0.00 C ATOM 1594 OE1 GLN A 101 108.038 -0.551 13.968 1.00 0.00 O ATOM 1595 NE2 GLN A 101 106.204 -0.037 15.038 1.00 0.00 N ATOM 0 H GLN A 101 110.061 2.429 11.094 1.00 0.00 H new ATOM 0 HA GLN A 101 107.190 2.564 10.716 1.00 0.00 H new ATOM 0 HB2 GLN A 101 108.601 0.816 11.963 1.00 0.00 H new ATOM 0 HB3 GLN A 101 108.960 2.024 13.181 1.00 0.00 H new ATOM 0 HG2 GLN A 101 106.553 2.254 13.730 1.00 0.00 H new ATOM 0 HG3 GLN A 101 106.118 1.168 12.425 1.00 0.00 H new ATOM 0 HE21 GLN A 101 105.401 0.583 15.147 1.00 0.00 H new ATOM 0 HE22 GLN A 101 106.322 -0.833 15.664 1.00 0.00 H new ATOM 1604 N LEU A 102 108.474 4.801 12.755 1.00 0.00 N ATOM 1605 CA LEU A 102 108.100 6.059 13.470 1.00 0.00 C ATOM 1606 C LEU A 102 107.595 7.140 12.507 1.00 0.00 C ATOM 1607 O LEU A 102 106.619 7.821 12.781 1.00 0.00 O ATOM 1608 CB LEU A 102 109.382 6.527 14.162 1.00 0.00 C ATOM 1609 CG LEU A 102 109.606 5.706 15.434 1.00 0.00 C ATOM 1610 CD1 LEU A 102 110.971 6.049 16.030 1.00 0.00 C ATOM 1611 CD2 LEU A 102 108.511 6.032 16.452 1.00 0.00 C ATOM 0 H LEU A 102 109.459 4.544 12.812 1.00 0.00 H new ATOM 0 HA LEU A 102 107.286 5.878 14.172 1.00 0.00 H new ATOM 0 HB2 LEU A 102 110.232 6.414 13.490 1.00 0.00 H new ATOM 0 HB3 LEU A 102 109.309 7.586 14.409 1.00 0.00 H new ATOM 0 HG LEU A 102 109.572 4.644 15.190 1.00 0.00 H new ATOM 0 HD11 LEU A 102 111.130 5.464 16.936 1.00 0.00 H new ATOM 0 HD12 LEU A 102 111.753 5.817 15.307 1.00 0.00 H new ATOM 0 HD13 LEU A 102 111.005 7.111 16.273 1.00 0.00 H new ATOM 0 HD21 LEU A 102 108.671 5.447 17.358 1.00 0.00 H new ATOM 0 HD22 LEU A 102 108.545 7.094 16.695 1.00 0.00 H new ATOM 0 HD23 LEU A 102 107.537 5.787 16.029 1.00 0.00 H new ATOM 1623 N GLN A 103 108.237 7.302 11.382 1.00 0.00 N ATOM 1624 CA GLN A 103 107.763 8.348 10.429 1.00 0.00 C ATOM 1625 C GLN A 103 106.495 7.859 9.733 1.00 0.00 C ATOM 1626 O GLN A 103 105.557 8.602 9.526 1.00 0.00 O ATOM 1627 CB GLN A 103 108.912 8.581 9.458 1.00 0.00 C ATOM 1628 CG GLN A 103 110.112 9.132 10.230 1.00 0.00 C ATOM 1629 CD GLN A 103 109.725 10.463 10.877 1.00 0.00 C ATOM 1630 OE1 GLN A 103 109.160 11.322 10.230 1.00 0.00 O ATOM 1631 NE2 GLN A 103 110.000 10.669 12.136 1.00 0.00 N ATOM 0 H GLN A 103 109.053 6.768 11.084 1.00 0.00 H new ATOM 0 HA GLN A 103 107.502 9.285 10.920 1.00 0.00 H new ATOM 0 HB2 GLN A 103 109.180 7.649 8.961 1.00 0.00 H new ATOM 0 HB3 GLN A 103 108.611 9.282 8.680 1.00 0.00 H new ATOM 0 HG2 GLN A 103 110.426 8.420 10.994 1.00 0.00 H new ATOM 0 HG3 GLN A 103 110.958 9.273 9.558 1.00 0.00 H new ATOM 0 HE21 GLN A 103 110.474 9.948 12.679 1.00 0.00 H new ATOM 0 HE22 GLN A 103 109.741 11.551 12.577 1.00 0.00 H new ATOM 1640 N PHE A 104 106.452 6.600 9.397 1.00 0.00 N ATOM 1641 CA PHE A 104 105.231 6.057 8.746 1.00 0.00 C ATOM 1642 C PHE A 104 104.059 6.211 9.708 1.00 0.00 C ATOM 1643 O PHE A 104 102.956 6.548 9.325 1.00 0.00 O ATOM 1644 CB PHE A 104 105.524 4.579 8.487 1.00 0.00 C ATOM 1645 CG PHE A 104 105.989 4.405 7.059 1.00 0.00 C ATOM 1646 CD1 PHE A 104 107.270 4.826 6.679 1.00 0.00 C ATOM 1647 CD2 PHE A 104 105.134 3.825 6.113 1.00 0.00 C ATOM 1648 CE1 PHE A 104 107.695 4.664 5.354 1.00 0.00 C ATOM 1649 CE2 PHE A 104 105.559 3.663 4.788 1.00 0.00 C ATOM 1650 CZ PHE A 104 106.841 4.083 4.410 1.00 0.00 C ATOM 0 H PHE A 104 107.205 5.928 9.544 1.00 0.00 H new ATOM 0 HA PHE A 104 104.980 6.572 7.819 1.00 0.00 H new ATOM 0 HB2 PHE A 104 106.289 4.222 9.177 1.00 0.00 H new ATOM 0 HB3 PHE A 104 104.630 3.982 8.666 1.00 0.00 H new ATOM 0 HD1 PHE A 104 107.929 5.275 7.407 1.00 0.00 H new ATOM 0 HD2 PHE A 104 104.146 3.502 6.406 1.00 0.00 H new ATOM 0 HE1 PHE A 104 108.683 4.988 5.061 1.00 0.00 H new ATOM 0 HE2 PHE A 104 104.900 3.215 4.059 1.00 0.00 H new ATOM 0 HZ PHE A 104 107.170 3.958 3.389 1.00 0.00 H new ATOM 1660 N LYS A 105 104.301 5.962 10.964 1.00 0.00 N ATOM 1661 CA LYS A 105 103.223 6.083 11.973 1.00 0.00 C ATOM 1662 C LYS A 105 102.715 7.528 12.028 1.00 0.00 C ATOM 1663 O LYS A 105 101.544 7.768 12.248 1.00 0.00 O ATOM 1664 CB LYS A 105 103.881 5.673 13.283 1.00 0.00 C ATOM 1665 CG LYS A 105 102.823 5.554 14.366 1.00 0.00 C ATOM 1666 CD LYS A 105 103.476 5.008 15.626 1.00 0.00 C ATOM 1667 CE LYS A 105 102.421 4.862 16.717 1.00 0.00 C ATOM 1668 NZ LYS A 105 103.164 4.320 17.884 1.00 0.00 N1+ ATOM 0 H LYS A 105 105.208 5.678 11.334 1.00 0.00 H new ATOM 0 HA LYS A 105 102.355 5.463 11.747 1.00 0.00 H new ATOM 0 HB2 LYS A 105 104.399 4.722 13.160 1.00 0.00 H new ATOM 0 HB3 LYS A 105 104.631 6.409 13.572 1.00 0.00 H new ATOM 0 HG2 LYS A 105 102.374 6.527 14.564 1.00 0.00 H new ATOM 0 HG3 LYS A 105 102.020 4.893 14.039 1.00 0.00 H new ATOM 0 HD2 LYS A 105 103.939 4.043 15.421 1.00 0.00 H new ATOM 0 HD3 LYS A 105 104.269 5.678 15.958 1.00 0.00 H new ATOM 0 HE2 LYS A 105 101.958 5.820 16.952 1.00 0.00 H new ATOM 0 HE3 LYS A 105 101.621 4.189 16.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 102.510 4.189 18.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 103.589 3.405 17.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 103.914 4.986 18.158 1.00 0.00 H new ATOM 1682 N GLN A 106 103.569 8.498 11.800 1.00 0.00 N ATOM 1683 CA GLN A 106 103.098 9.917 11.800 1.00 0.00 C ATOM 1684 C GLN A 106 102.536 10.281 10.420 1.00 0.00 C ATOM 1685 O GLN A 106 101.823 11.253 10.267 1.00 0.00 O ATOM 1686 CB GLN A 106 104.341 10.761 12.091 1.00 0.00 C ATOM 1687 CG GLN A 106 104.815 10.501 13.521 1.00 0.00 C ATOM 1688 CD GLN A 106 106.059 11.345 13.804 1.00 0.00 C ATOM 1689 OE1 GLN A 106 106.435 12.179 13.004 1.00 0.00 O ATOM 1690 NE2 GLN A 106 106.722 11.158 14.911 1.00 0.00 N ATOM 0 H GLN A 106 104.564 8.369 11.615 1.00 0.00 H new ATOM 0 HA GLN A 106 102.310 10.083 12.535 1.00 0.00 H new ATOM 0 HB2 GLN A 106 105.133 10.515 11.384 1.00 0.00 H new ATOM 0 HB3 GLN A 106 104.114 11.819 11.959 1.00 0.00 H new ATOM 0 HG2 GLN A 106 104.024 10.750 14.229 1.00 0.00 H new ATOM 0 HG3 GLN A 106 105.041 9.443 13.654 1.00 0.00 H new ATOM 0 HE21 GLN A 106 106.406 10.458 15.582 1.00 0.00 H new ATOM 0 HE22 GLN A 106 107.556 11.712 15.106 1.00 0.00 H new ATOM 1699 N GLY A 107 102.848 9.507 9.412 1.00 0.00 N ATOM 1700 CA GLY A 107 102.328 9.810 8.048 1.00 0.00 C ATOM 1701 C GLY A 107 103.431 10.428 7.177 1.00 0.00 C ATOM 1702 O GLY A 107 103.172 10.896 6.085 1.00 0.00 O ATOM 0 H GLY A 107 103.440 8.679 9.476 1.00 0.00 H new ATOM 0 HA2 GLY A 107 101.958 8.897 7.582 1.00 0.00 H new ATOM 0 HA3 GLY A 107 101.484 10.497 8.118 1.00 0.00 H new ATOM 1706 N ASN A 108 104.659 10.411 7.625 1.00 0.00 N ATOM 1707 CA ASN A 108 105.761 10.976 6.793 1.00 0.00 C ATOM 1708 C ASN A 108 106.574 9.830 6.181 1.00 0.00 C ATOM 1709 O ASN A 108 107.638 9.476 6.652 1.00 0.00 O ATOM 1710 CB ASN A 108 106.609 11.818 7.752 1.00 0.00 C ATOM 1711 CG ASN A 108 105.840 13.091 8.115 1.00 0.00 C ATOM 1712 OD1 ASN A 108 104.956 13.506 7.393 1.00 0.00 O ATOM 1713 ND2 ASN A 108 106.137 13.733 9.213 1.00 0.00 N ATOM 0 H ASN A 108 104.945 10.032 8.528 1.00 0.00 H new ATOM 0 HA ASN A 108 105.397 11.585 5.965 1.00 0.00 H new ATOM 0 HB2 ASN A 108 106.837 11.247 8.652 1.00 0.00 H new ATOM 0 HB3 ASN A 108 107.561 12.074 7.287 1.00 0.00 H new ATOM 0 HD21 ASN A 108 105.627 14.580 9.462 1.00 0.00 H new ATOM 0 HD22 ASN A 108 106.879 13.387 9.821 1.00 0.00 H new ATOM 1720 N PHE A 109 106.062 9.253 5.124 1.00 0.00 N ATOM 1721 CA PHE A 109 106.769 8.125 4.448 1.00 0.00 C ATOM 1722 C PHE A 109 108.143 8.563 3.935 1.00 0.00 C ATOM 1723 O PHE A 109 109.116 7.845 4.062 1.00 0.00 O ATOM 1724 CB PHE A 109 105.885 7.762 3.247 1.00 0.00 C ATOM 1725 CG PHE A 109 104.487 7.395 3.695 1.00 0.00 C ATOM 1726 CD1 PHE A 109 104.286 6.654 4.866 1.00 0.00 C ATOM 1727 CD2 PHE A 109 103.386 7.796 2.925 1.00 0.00 C ATOM 1728 CE1 PHE A 109 102.989 6.318 5.268 1.00 0.00 C ATOM 1729 CE2 PHE A 109 102.089 7.457 3.327 1.00 0.00 C ATOM 1730 CZ PHE A 109 101.891 6.719 4.499 1.00 0.00 C ATOM 0 H PHE A 109 105.175 9.519 4.697 1.00 0.00 H new ATOM 0 HA PHE A 109 106.926 7.293 5.135 1.00 0.00 H new ATOM 0 HB2 PHE A 109 105.840 8.604 2.556 1.00 0.00 H new ATOM 0 HB3 PHE A 109 106.328 6.927 2.704 1.00 0.00 H new ATOM 0 HD1 PHE A 109 105.133 6.342 5.459 1.00 0.00 H new ATOM 0 HD2 PHE A 109 103.539 8.367 2.021 1.00 0.00 H new ATOM 0 HE1 PHE A 109 102.835 5.749 6.173 1.00 0.00 H new ATOM 0 HE2 PHE A 109 101.241 7.765 2.733 1.00 0.00 H new ATOM 0 HZ PHE A 109 100.890 6.459 4.810 1.00 0.00 H new ATOM 1740 N LYS A 110 108.230 9.716 3.331 1.00 0.00 N ATOM 1741 CA LYS A 110 109.543 10.173 2.779 1.00 0.00 C ATOM 1742 C LYS A 110 110.599 10.346 3.878 1.00 0.00 C ATOM 1743 O LYS A 110 111.711 9.874 3.751 1.00 0.00 O ATOM 1744 CB LYS A 110 109.240 11.522 2.128 1.00 0.00 C ATOM 1745 CG LYS A 110 110.523 12.136 1.558 1.00 0.00 C ATOM 1746 CD LYS A 110 110.202 13.522 0.985 1.00 0.00 C ATOM 1747 CE LYS A 110 111.472 14.163 0.415 1.00 0.00 C ATOM 1748 NZ LYS A 110 111.160 15.620 0.318 1.00 0.00 N1+ ATOM 0 H LYS A 110 107.453 10.362 3.195 1.00 0.00 H new ATOM 0 HA LYS A 110 109.953 9.443 2.081 1.00 0.00 H new ATOM 0 HB2 LYS A 110 108.506 11.393 1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 110 108.800 12.197 2.862 1.00 0.00 H new ATOM 0 HG2 LYS A 110 111.280 12.217 2.338 1.00 0.00 H new ATOM 0 HG3 LYS A 110 110.935 11.493 0.780 1.00 0.00 H new ATOM 0 HD2 LYS A 110 109.447 13.435 0.204 1.00 0.00 H new ATOM 0 HD3 LYS A 110 109.782 14.158 1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 110 112.329 13.985 1.064 1.00 0.00 H new ATOM 0 HE3 LYS A 110 111.720 13.747 -0.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 111.756 16.054 -0.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 110.158 15.745 0.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 111.349 16.077 1.233 1.00 0.00 H new ATOM 1762 N GLN A 111 110.280 11.035 4.942 1.00 0.00 N ATOM 1763 CA GLN A 111 111.301 11.244 6.013 1.00 0.00 C ATOM 1764 C GLN A 111 111.708 9.903 6.628 1.00 0.00 C ATOM 1765 O GLN A 111 112.860 9.687 6.952 1.00 0.00 O ATOM 1766 CB GLN A 111 110.635 12.160 7.049 1.00 0.00 C ATOM 1767 CG GLN A 111 111.589 12.385 8.228 1.00 0.00 C ATOM 1768 CD GLN A 111 110.987 13.411 9.194 1.00 0.00 C ATOM 1769 OE1 GLN A 111 110.117 14.176 8.825 1.00 0.00 O ATOM 1770 NE2 GLN A 111 111.418 13.458 10.427 1.00 0.00 N ATOM 0 H GLN A 111 109.368 11.458 5.116 1.00 0.00 H new ATOM 0 HA GLN A 111 112.215 11.694 5.626 1.00 0.00 H new ATOM 0 HB2 GLN A 111 110.375 13.115 6.591 1.00 0.00 H new ATOM 0 HB3 GLN A 111 109.706 11.712 7.401 1.00 0.00 H new ATOM 0 HG2 GLN A 111 111.768 11.444 8.748 1.00 0.00 H new ATOM 0 HG3 GLN A 111 112.554 12.737 7.864 1.00 0.00 H new ATOM 0 HE21 GLN A 111 112.148 12.816 10.737 1.00 0.00 H new ATOM 0 HE22 GLN A 111 111.024 14.136 11.079 1.00 0.00 H new ATOM 1779 N GLY A 112 110.782 9.000 6.794 1.00 0.00 N ATOM 1780 CA GLY A 112 111.131 7.678 7.385 1.00 0.00 C ATOM 1781 C GLY A 112 112.085 6.933 6.454 1.00 0.00 C ATOM 1782 O GLY A 112 113.108 6.427 6.871 1.00 0.00 O ATOM 0 H GLY A 112 109.800 9.120 6.546 1.00 0.00 H new ATOM 0 HA2 GLY A 112 111.595 7.817 8.362 1.00 0.00 H new ATOM 0 HA3 GLY A 112 110.227 7.089 7.542 1.00 0.00 H new ATOM 1786 N LEU A 113 111.756 6.855 5.194 1.00 0.00 N ATOM 1787 CA LEU A 113 112.643 6.135 4.236 1.00 0.00 C ATOM 1788 C LEU A 113 114.001 6.830 4.140 1.00 0.00 C ATOM 1789 O LEU A 113 115.033 6.189 4.126 1.00 0.00 O ATOM 1790 CB LEU A 113 111.918 6.207 2.893 1.00 0.00 C ATOM 1791 CG LEU A 113 110.659 5.339 2.935 1.00 0.00 C ATOM 1792 CD1 LEU A 113 109.803 5.635 1.704 1.00 0.00 C ATOM 1793 CD2 LEU A 113 111.049 3.858 2.937 1.00 0.00 C ATOM 0 H LEU A 113 110.912 7.258 4.786 1.00 0.00 H new ATOM 0 HA LEU A 113 112.832 5.108 4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 113 111.651 7.240 2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 113 112.578 5.868 2.095 1.00 0.00 H new ATOM 0 HG LEU A 113 110.095 5.563 3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 113 108.904 5.019 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 113 109.521 6.688 1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 113 110.372 5.410 0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 113 110.148 3.245 2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.614 3.629 2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 113 111.663 3.645 3.812 1.00 0.00 H new ATOM 1805 N VAL A 114 114.016 8.133 4.066 1.00 0.00 N ATOM 1806 CA VAL A 114 115.318 8.847 3.963 1.00 0.00 C ATOM 1807 C VAL A 114 116.118 8.670 5.256 1.00 0.00 C ATOM 1808 O VAL A 114 117.293 8.360 5.233 1.00 0.00 O ATOM 1809 CB VAL A 114 114.954 10.315 3.747 1.00 0.00 C ATOM 1810 CG1 VAL A 114 116.228 11.158 3.698 1.00 0.00 C ATOM 1811 CG2 VAL A 114 114.193 10.464 2.427 1.00 0.00 C ATOM 0 H VAL A 114 113.189 8.730 4.072 1.00 0.00 H new ATOM 0 HA VAL A 114 115.937 8.463 3.152 1.00 0.00 H new ATOM 0 HB VAL A 114 114.326 10.656 4.570 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.966 12.205 3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 114 116.769 11.054 4.638 1.00 0.00 H new ATOM 0 HG13 VAL A 114 116.858 10.817 2.877 1.00 0.00 H new ATOM 0 HG21 VAL A 114 113.933 11.511 2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.821 10.121 1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 114 113.282 9.866 2.462 1.00 0.00 H new ATOM 1821 N ASP A 115 115.491 8.862 6.384 1.00 0.00 N ATOM 1822 CA ASP A 115 116.225 8.707 7.670 1.00 0.00 C ATOM 1823 C ASP A 115 116.665 7.250 7.839 1.00 0.00 C ATOM 1824 O ASP A 115 117.760 6.974 8.288 1.00 0.00 O ATOM 1825 CB ASP A 115 115.222 9.115 8.751 1.00 0.00 C ATOM 1826 CG ASP A 115 115.246 10.638 8.928 1.00 0.00 C ATOM 1827 OD1 ASP A 115 116.160 11.265 8.418 1.00 0.00 O ATOM 1828 OD2 ASP A 115 114.344 11.151 9.570 1.00 0.00 O1- ATOM 0 H ASP A 115 114.507 9.118 6.470 1.00 0.00 H new ATOM 0 HA ASP A 115 117.128 9.316 7.719 1.00 0.00 H new ATOM 0 HB2 ASP A 115 114.220 8.787 8.474 1.00 0.00 H new ATOM 0 HB3 ASP A 115 115.469 8.626 9.693 1.00 0.00 H new ATOM 1833 N GLY A 116 115.829 6.313 7.479 1.00 0.00 N ATOM 1834 CA GLY A 116 116.219 4.882 7.615 1.00 0.00 C ATOM 1835 C GLY A 116 117.451 4.614 6.746 1.00 0.00 C ATOM 1836 O GLY A 116 118.372 3.930 7.149 1.00 0.00 O ATOM 0 H GLY A 116 114.897 6.477 7.098 1.00 0.00 H new ATOM 0 HA2 GLY A 116 116.436 4.649 8.657 1.00 0.00 H new ATOM 0 HA3 GLY A 116 115.395 4.237 7.309 1.00 0.00 H new ATOM 1840 N ILE A 117 117.474 5.153 5.556 1.00 0.00 N ATOM 1841 CA ILE A 117 118.648 4.939 4.660 1.00 0.00 C ATOM 1842 C ILE A 117 119.902 5.594 5.259 1.00 0.00 C ATOM 1843 O ILE A 117 120.967 5.009 5.262 1.00 0.00 O ATOM 1844 CB ILE A 117 118.246 5.587 3.330 1.00 0.00 C ATOM 1845 CG1 ILE A 117 117.116 4.768 2.705 1.00 0.00 C ATOM 1846 CG2 ILE A 117 119.438 5.609 2.366 1.00 0.00 C ATOM 1847 CD1 ILE A 117 116.499 5.543 1.540 1.00 0.00 C ATOM 0 H ILE A 117 116.731 5.732 5.166 1.00 0.00 H new ATOM 0 HA ILE A 117 118.895 3.885 4.530 1.00 0.00 H new ATOM 0 HB ILE A 117 117.920 6.611 3.514 1.00 0.00 H new ATOM 0 HG12 ILE A 117 117.500 3.810 2.354 1.00 0.00 H new ATOM 0 HG13 ILE A 117 116.354 4.551 3.454 1.00 0.00 H new ATOM 0 HG21 ILE A 117 119.137 6.072 1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 117 120.253 6.182 2.808 1.00 0.00 H new ATOM 0 HG23 ILE A 117 119.772 4.589 2.177 1.00 0.00 H new ATOM 0 HD11 ILE A 117 115.694 4.956 1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 117 116.100 6.490 1.904 1.00 0.00 H new ATOM 0 HD13 ILE A 117 117.263 5.737 0.787 1.00 0.00 H new ATOM 1859 N GLU A 118 119.794 6.800 5.761 1.00 0.00 N ATOM 1860 CA GLU A 118 120.999 7.462 6.348 1.00 0.00 C ATOM 1861 C GLU A 118 121.569 6.580 7.460 1.00 0.00 C ATOM 1862 O GLU A 118 122.752 6.304 7.506 1.00 0.00 O ATOM 1863 CB GLU A 118 120.499 8.789 6.920 1.00 0.00 C ATOM 1864 CG GLU A 118 120.068 9.716 5.778 1.00 0.00 C ATOM 1865 CD GLU A 118 119.505 11.021 6.352 1.00 0.00 C ATOM 1866 OE1 GLU A 118 119.671 11.251 7.540 1.00 0.00 O1- ATOM 1867 OE2 GLU A 118 118.927 11.777 5.589 1.00 0.00 O ATOM 0 H GLU A 118 118.935 7.348 5.790 1.00 0.00 H new ATOM 0 HA GLU A 118 121.788 7.619 5.613 1.00 0.00 H new ATOM 0 HB2 GLU A 118 119.661 8.612 7.594 1.00 0.00 H new ATOM 0 HB3 GLU A 118 121.286 9.262 7.508 1.00 0.00 H new ATOM 0 HG2 GLU A 118 120.918 9.930 5.131 1.00 0.00 H new ATOM 0 HG3 GLU A 118 119.315 9.224 5.163 1.00 0.00 H new ATOM 1874 N LYS A 119 120.730 6.127 8.347 1.00 0.00 N ATOM 1875 CA LYS A 119 121.209 5.248 9.448 1.00 0.00 C ATOM 1876 C LYS A 119 121.755 3.946 8.861 1.00 0.00 C ATOM 1877 O LYS A 119 122.786 3.451 9.271 1.00 0.00 O ATOM 1878 CB LYS A 119 119.975 4.987 10.308 1.00 0.00 C ATOM 1879 CG LYS A 119 119.566 6.281 11.010 1.00 0.00 C ATOM 1880 CD LYS A 119 118.315 6.031 11.853 1.00 0.00 C ATOM 1881 CE LYS A 119 117.959 7.309 12.618 1.00 0.00 C ATOM 1882 NZ LYS A 119 116.760 6.954 13.427 1.00 0.00 N1+ ATOM 0 H LYS A 119 119.730 6.328 8.357 1.00 0.00 H new ATOM 0 HA LYS A 119 122.013 5.697 10.031 1.00 0.00 H new ATOM 0 HB2 LYS A 119 119.156 4.622 9.688 1.00 0.00 H new ATOM 0 HB3 LYS A 119 120.188 4.212 11.044 1.00 0.00 H new ATOM 0 HG2 LYS A 119 120.379 6.636 11.643 1.00 0.00 H new ATOM 0 HG3 LYS A 119 119.371 7.061 10.274 1.00 0.00 H new ATOM 0 HD2 LYS A 119 117.484 5.733 11.213 1.00 0.00 H new ATOM 0 HD3 LYS A 119 118.490 5.212 12.551 1.00 0.00 H new ATOM 0 HE2 LYS A 119 118.783 7.630 13.255 1.00 0.00 H new ATOM 0 HE3 LYS A 119 117.745 8.131 11.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 116.637 7.650 14.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 115.917 6.956 12.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 116.887 6.008 13.839 1.00 0.00 H new ATOM 1896 N ALA A 120 121.078 3.396 7.890 1.00 0.00 N ATOM 1897 CA ALA A 120 121.562 2.142 7.251 1.00 0.00 C ATOM 1898 C ALA A 120 122.947 2.361 6.646 1.00 0.00 C ATOM 1899 O ALA A 120 123.820 1.523 6.740 1.00 0.00 O ATOM 1900 CB ALA A 120 120.547 1.858 6.144 1.00 0.00 C ATOM 0 H ALA A 120 120.206 3.765 7.511 1.00 0.00 H new ATOM 0 HA ALA A 120 121.647 1.320 7.961 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.828 0.946 5.618 1.00 0.00 H new ATOM 0 HB2 ALA A 120 119.556 1.734 6.582 1.00 0.00 H new ATOM 0 HB3 ALA A 120 120.532 2.691 5.442 1.00 0.00 H new ATOM 1906 N GLY A 121 123.144 3.483 6.010 1.00 0.00 N ATOM 1907 CA GLY A 121 124.461 3.766 5.377 1.00 0.00 C ATOM 1908 C GLY A 121 125.537 3.922 6.451 1.00 0.00 C ATOM 1909 O GLY A 121 126.618 3.381 6.336 1.00 0.00 O ATOM 0 H GLY A 121 122.446 4.219 5.902 1.00 0.00 H new ATOM 0 HA2 GLY A 121 124.728 2.956 4.698 1.00 0.00 H new ATOM 0 HA3 GLY A 121 124.398 4.675 4.779 1.00 0.00 H new ATOM 1913 N MET A 122 125.254 4.645 7.501 1.00 0.00 N ATOM 1914 CA MET A 122 126.273 4.807 8.576 1.00 0.00 C ATOM 1915 C MET A 122 126.533 3.451 9.244 1.00 0.00 C ATOM 1916 O MET A 122 127.666 3.042 9.440 1.00 0.00 O ATOM 1917 CB MET A 122 125.650 5.800 9.565 1.00 0.00 C ATOM 1918 CG MET A 122 125.539 7.184 8.915 1.00 0.00 C ATOM 1919 SD MET A 122 127.193 7.801 8.513 1.00 0.00 S ATOM 1920 CE MET A 122 127.718 8.156 10.209 1.00 0.00 C ATOM 0 H MET A 122 124.369 5.126 7.660 1.00 0.00 H new ATOM 0 HA MET A 122 127.232 5.167 8.202 1.00 0.00 H new ATOM 0 HB2 MET A 122 124.663 5.452 9.870 1.00 0.00 H new ATOM 0 HB3 MET A 122 126.260 5.860 10.466 1.00 0.00 H new ATOM 0 HG2 MET A 122 124.932 7.125 8.011 1.00 0.00 H new ATOM 0 HG3 MET A 122 125.036 7.875 9.591 1.00 0.00 H new ATOM 0 HE1 MET A 122 128.323 9.063 10.220 1.00 0.00 H new ATOM 0 HE2 MET A 122 126.840 8.298 10.839 1.00 0.00 H new ATOM 0 HE3 MET A 122 128.307 7.322 10.590 1.00 0.00 H new ATOM 1930 N ALA A 123 125.490 2.738 9.573 1.00 0.00 N ATOM 1931 CA ALA A 123 125.680 1.406 10.207 1.00 0.00 C ATOM 1932 C ALA A 123 126.386 0.477 9.219 1.00 0.00 C ATOM 1933 O ALA A 123 127.323 -0.207 9.562 1.00 0.00 O ATOM 1934 CB ALA A 123 124.271 0.914 10.545 1.00 0.00 C ATOM 0 H ALA A 123 124.520 3.020 9.430 1.00 0.00 H new ATOM 0 HA ALA A 123 126.298 1.441 11.104 1.00 0.00 H new ATOM 0 HB1 ALA A 123 124.332 -0.067 11.017 1.00 0.00 H new ATOM 0 HB2 ALA A 123 123.794 1.617 11.228 1.00 0.00 H new ATOM 0 HB3 ALA A 123 123.682 0.841 9.631 1.00 0.00 H new ATOM 1940 N LEU A 124 125.963 0.475 7.982 1.00 0.00 N ATOM 1941 CA LEU A 124 126.639 -0.382 6.968 1.00 0.00 C ATOM 1942 C LEU A 124 128.092 0.069 6.819 1.00 0.00 C ATOM 1943 O LEU A 124 128.984 -0.737 6.676 1.00 0.00 O ATOM 1944 CB LEU A 124 125.878 -0.152 5.661 1.00 0.00 C ATOM 1945 CG LEU A 124 124.574 -0.950 5.666 1.00 0.00 C ATOM 1946 CD1 LEU A 124 123.710 -0.519 4.479 1.00 0.00 C ATOM 1947 CD2 LEU A 124 124.889 -2.441 5.539 1.00 0.00 C ATOM 0 H LEU A 124 125.181 1.029 7.632 1.00 0.00 H new ATOM 0 HA LEU A 124 126.640 -1.435 7.248 1.00 0.00 H new ATOM 0 HB2 LEU A 124 125.664 0.910 5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 124 126.495 -0.453 4.814 1.00 0.00 H new ATOM 0 HG LEU A 124 124.040 -0.765 6.598 1.00 0.00 H new ATOM 0 HD11 LEU A 124 122.780 -1.087 4.481 1.00 0.00 H new ATOM 0 HD12 LEU A 124 123.486 0.545 4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 124 124.248 -0.707 3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 124 123.960 -3.011 5.543 1.00 0.00 H new ATOM 0 HD22 LEU A 124 125.422 -2.622 4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 124 125.510 -2.754 6.378 1.00 0.00 H new ATOM 1959 N ALA A 125 128.336 1.356 6.824 1.00 0.00 N ATOM 1960 CA ALA A 125 129.735 1.850 6.652 1.00 0.00 C ATOM 1961 C ALA A 125 130.660 1.199 7.676 1.00 0.00 C ATOM 1962 O ALA A 125 131.804 0.907 7.390 1.00 0.00 O ATOM 1963 CB ALA A 125 129.674 3.361 6.874 1.00 0.00 C ATOM 0 H ALA A 125 127.629 2.083 6.939 1.00 0.00 H new ATOM 0 HA ALA A 125 130.127 1.605 5.665 1.00 0.00 H new ATOM 0 HB1 ALA A 125 130.671 3.786 6.762 1.00 0.00 H new ATOM 0 HB2 ALA A 125 129.004 3.810 6.141 1.00 0.00 H new ATOM 0 HB3 ALA A 125 129.303 3.567 7.878 1.00 0.00 H new ATOM 1969 N LYS A 126 130.177 0.948 8.864 1.00 0.00 N ATOM 1970 CA LYS A 126 131.044 0.295 9.882 1.00 0.00 C ATOM 1971 C LYS A 126 131.443 -1.081 9.368 1.00 0.00 C ATOM 1972 O LYS A 126 132.582 -1.494 9.451 1.00 0.00 O ATOM 1973 CB LYS A 126 130.159 0.152 11.116 1.00 0.00 C ATOM 1974 CG LYS A 126 130.993 -0.373 12.284 1.00 0.00 C ATOM 1975 CD LYS A 126 130.109 -0.479 13.523 1.00 0.00 C ATOM 1976 CE LYS A 126 130.937 -0.979 14.705 1.00 0.00 C ATOM 1977 NZ LYS A 126 129.965 -1.080 15.828 1.00 0.00 N1+ ATOM 0 H LYS A 126 129.228 1.165 9.170 1.00 0.00 H new ATOM 0 HA LYS A 126 131.952 0.859 10.096 1.00 0.00 H new ATOM 0 HB2 LYS A 126 129.718 1.115 11.374 1.00 0.00 H new ATOM 0 HB3 LYS A 126 129.335 -0.530 10.908 1.00 0.00 H new ATOM 0 HG2 LYS A 126 131.413 -1.348 12.037 1.00 0.00 H new ATOM 0 HG3 LYS A 126 131.832 0.296 12.477 1.00 0.00 H new ATOM 0 HD2 LYS A 126 129.675 0.493 13.756 1.00 0.00 H new ATOM 0 HD3 LYS A 126 129.280 -1.161 13.333 1.00 0.00 H new ATOM 0 HE2 LYS A 126 131.394 -1.944 14.489 1.00 0.00 H new ATOM 0 HE3 LYS A 126 131.747 -0.289 14.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 130.454 -1.418 16.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 129.551 -0.144 16.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 129.210 -1.749 15.574 1.00 0.00 H new ATOM 1991 N TYR A 127 130.493 -1.789 8.822 1.00 0.00 N ATOM 1992 CA TYR A 127 130.788 -3.139 8.278 1.00 0.00 C ATOM 1993 C TYR A 127 131.595 -3.012 6.987 1.00 0.00 C ATOM 1994 O TYR A 127 132.565 -3.710 6.776 1.00 0.00 O ATOM 1995 CB TYR A 127 129.420 -3.772 8.019 1.00 0.00 C ATOM 1996 CG TYR A 127 128.815 -4.192 9.339 1.00 0.00 C ATOM 1997 CD1 TYR A 127 129.072 -5.472 9.841 1.00 0.00 C ATOM 1998 CD2 TYR A 127 128.012 -3.304 10.065 1.00 0.00 C ATOM 1999 CE1 TYR A 127 128.528 -5.866 11.068 1.00 0.00 C ATOM 2000 CE2 TYR A 127 127.465 -3.699 11.294 1.00 0.00 C ATOM 2001 CZ TYR A 127 127.724 -4.980 11.795 1.00 0.00 C ATOM 2002 OH TYR A 127 127.191 -5.370 13.007 1.00 0.00 O ATOM 0 H TYR A 127 129.523 -1.487 8.730 1.00 0.00 H new ATOM 0 HA TYR A 127 131.382 -3.747 8.960 1.00 0.00 H new ATOM 0 HB2 TYR A 127 128.766 -3.061 7.514 1.00 0.00 H new ATOM 0 HB3 TYR A 127 129.523 -4.634 7.360 1.00 0.00 H new ATOM 0 HD1 TYR A 127 129.691 -6.157 9.281 1.00 0.00 H new ATOM 0 HD2 TYR A 127 127.814 -2.315 9.678 1.00 0.00 H new ATOM 0 HE1 TYR A 127 128.728 -6.854 11.455 1.00 0.00 H new ATOM 0 HE2 TYR A 127 126.844 -3.015 11.854 1.00 0.00 H new ATOM 0 HH TYR A 127 126.659 -4.637 13.381 1.00 0.00 H new ATOM 2012 N PHE A 128 131.208 -2.110 6.129 1.00 0.00 N ATOM 2013 CA PHE A 128 131.947 -1.923 4.857 1.00 0.00 C ATOM 2014 C PHE A 128 132.318 -0.441 4.685 1.00 0.00 C ATOM 2015 O PHE A 128 131.517 0.347 4.221 1.00 0.00 O ATOM 2016 CB PHE A 128 130.999 -2.401 3.764 1.00 0.00 C ATOM 2017 CG PHE A 128 130.763 -3.879 3.951 1.00 0.00 C ATOM 2018 CD1 PHE A 128 131.827 -4.777 3.806 1.00 0.00 C ATOM 2019 CD2 PHE A 128 129.487 -4.352 4.283 1.00 0.00 C ATOM 2020 CE1 PHE A 128 131.617 -6.148 3.993 1.00 0.00 C ATOM 2021 CE2 PHE A 128 129.278 -5.723 4.472 1.00 0.00 C ATOM 2022 CZ PHE A 128 130.343 -6.622 4.326 1.00 0.00 C ATOM 0 H PHE A 128 130.407 -1.492 6.258 1.00 0.00 H new ATOM 0 HA PHE A 128 132.883 -2.481 4.827 1.00 0.00 H new ATOM 0 HB2 PHE A 128 130.056 -1.857 3.815 1.00 0.00 H new ATOM 0 HB3 PHE A 128 131.426 -2.207 2.780 1.00 0.00 H new ATOM 0 HD1 PHE A 128 132.810 -4.412 3.550 1.00 0.00 H new ATOM 0 HD2 PHE A 128 128.665 -3.660 4.393 1.00 0.00 H new ATOM 0 HE1 PHE A 128 132.438 -6.840 3.880 1.00 0.00 H new ATOM 0 HE2 PHE A 128 128.295 -6.088 4.731 1.00 0.00 H new ATOM 0 HZ PHE A 128 130.181 -7.680 4.470 1.00 0.00 H new ATOM 2032 N PRO A 129 133.536 -0.111 5.069 1.00 0.00 N ATOM 2033 CA PRO A 129 134.020 1.287 4.955 1.00 0.00 C ATOM 2034 C PRO A 129 134.137 1.689 3.487 1.00 0.00 C ATOM 2035 O PRO A 129 134.407 0.875 2.626 1.00 0.00 O ATOM 2036 CB PRO A 129 135.391 1.249 5.635 1.00 0.00 C ATOM 2037 CG PRO A 129 135.824 -0.175 5.530 1.00 0.00 C ATOM 2038 CD PRO A 129 134.577 -0.995 5.632 1.00 0.00 C ATOM 0 HA PRO A 129 133.351 2.016 5.412 1.00 0.00 H new ATOM 0 HB2 PRO A 129 136.097 1.916 5.140 1.00 0.00 H new ATOM 0 HB3 PRO A 129 135.327 1.568 6.675 1.00 0.00 H new ATOM 0 HG2 PRO A 129 136.335 -0.358 4.585 1.00 0.00 H new ATOM 0 HG3 PRO A 129 136.524 -0.429 6.326 1.00 0.00 H new ATOM 0 HD2 PRO A 129 134.661 -1.925 5.070 1.00 0.00 H new ATOM 0 HD3 PRO A 129 134.358 -1.266 6.665 1.00 0.00 H new ATOM 2046 N TRP A 130 133.929 2.942 3.196 1.00 0.00 N ATOM 2047 CA TRP A 130 134.020 3.406 1.787 1.00 0.00 C ATOM 2048 C TRP A 130 135.471 3.463 1.345 1.00 0.00 C ATOM 2049 O TRP A 130 136.320 4.006 2.027 1.00 0.00 O ATOM 2050 CB TRP A 130 133.437 4.816 1.786 1.00 0.00 C ATOM 2051 CG TRP A 130 133.327 5.304 0.373 1.00 0.00 C ATOM 2052 CD1 TRP A 130 132.334 4.977 -0.489 1.00 0.00 C ATOM 2053 CD2 TRP A 130 134.221 6.196 -0.356 1.00 0.00 C ATOM 2054 NE1 TRP A 130 132.555 5.625 -1.693 1.00 0.00 N ATOM 2055 CE2 TRP A 130 133.709 6.383 -1.662 1.00 0.00 C ATOM 2056 CE3 TRP A 130 135.415 6.855 -0.012 1.00 0.00 C ATOM 2057 CZ2 TRP A 130 134.356 7.199 -2.593 1.00 0.00 C ATOM 2058 CZ3 TRP A 130 136.070 7.675 -0.946 1.00 0.00 C ATOM 2059 CH2 TRP A 130 135.542 7.845 -2.234 1.00 0.00 C ATOM 0 H TRP A 130 133.699 3.666 3.877 1.00 0.00 H new ATOM 0 HA TRP A 130 133.491 2.736 1.110 1.00 0.00 H new ATOM 0 HB2 TRP A 130 132.456 4.817 2.261 1.00 0.00 H new ATOM 0 HB3 TRP A 130 134.072 5.485 2.366 1.00 0.00 H new ATOM 0 HD1 TRP A 130 131.506 4.319 -0.273 1.00 0.00 H new ATOM 0 HE1 TRP A 130 131.940 5.551 -2.504 1.00 0.00 H new ATOM 0 HE3 TRP A 130 135.831 6.730 0.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 133.943 7.330 -3.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 136.985 8.177 -0.670 1.00 0.00 H new ATOM 0 HH2 TRP A 130 136.052 8.475 -2.948 1.00 0.00 H new ATOM 2070 N LYS A 131 135.757 2.940 0.199 1.00 0.00 N ATOM 2071 CA LYS A 131 137.143 2.999 -0.310 1.00 0.00 C ATOM 2072 C LYS A 131 137.159 3.936 -1.511 1.00 0.00 C ATOM 2073 O LYS A 131 136.175 4.061 -2.214 1.00 0.00 O ATOM 2074 CB LYS A 131 137.486 1.569 -0.712 1.00 0.00 C ATOM 2075 CG LYS A 131 137.528 0.688 0.534 1.00 0.00 C ATOM 2076 CD LYS A 131 137.785 -0.760 0.121 1.00 0.00 C ATOM 2077 CE LYS A 131 137.857 -1.637 1.370 1.00 0.00 C ATOM 2078 NZ LYS A 131 138.095 -3.013 0.855 1.00 0.00 N1+ ATOM 0 H LYS A 131 135.088 2.471 -0.412 1.00 0.00 H new ATOM 0 HA LYS A 131 137.865 3.372 0.417 1.00 0.00 H new ATOM 0 HB2 LYS A 131 136.744 1.189 -1.414 1.00 0.00 H new ATOM 0 HB3 LYS A 131 138.449 1.544 -1.221 1.00 0.00 H new ATOM 0 HG2 LYS A 131 138.312 1.030 1.209 1.00 0.00 H new ATOM 0 HG3 LYS A 131 136.586 0.761 1.077 1.00 0.00 H new ATOM 0 HD2 LYS A 131 136.989 -1.109 -0.537 1.00 0.00 H new ATOM 0 HD3 LYS A 131 138.717 -0.830 -0.441 1.00 0.00 H new ATOM 0 HE2 LYS A 131 138.662 -1.318 2.032 1.00 0.00 H new ATOM 0 HE3 LYS A 131 136.932 -1.584 1.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 138.157 -3.677 1.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 137.309 -3.292 0.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 138.985 -3.034 0.318 1.00 0.00 H new ATOM 2092 N LYS A 132 138.233 4.632 -1.727 1.00 0.00 N ATOM 2093 CA LYS A 132 138.257 5.599 -2.858 1.00 0.00 C ATOM 2094 C LYS A 132 137.878 4.913 -4.171 1.00 0.00 C ATOM 2095 O LYS A 132 137.391 5.556 -5.083 1.00 0.00 O ATOM 2096 CB LYS A 132 139.683 6.138 -2.917 1.00 0.00 C ATOM 2097 CG LYS A 132 139.979 6.948 -1.652 1.00 0.00 C ATOM 2098 CD LYS A 132 141.399 7.512 -1.731 1.00 0.00 C ATOM 2099 CE LYS A 132 141.715 8.300 -0.456 1.00 0.00 C ATOM 2100 NZ LYS A 132 143.118 8.769 -0.632 1.00 0.00 N1+ ATOM 0 H LYS A 132 139.090 4.577 -1.177 1.00 0.00 H new ATOM 0 HA LYS A 132 137.534 6.402 -2.710 1.00 0.00 H new ATOM 0 HB2 LYS A 132 140.391 5.314 -3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 132 139.809 6.764 -3.800 1.00 0.00 H new ATOM 0 HG2 LYS A 132 139.259 7.760 -1.550 1.00 0.00 H new ATOM 0 HG3 LYS A 132 139.875 6.316 -0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 132 142.116 6.701 -1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 132 141.495 8.159 -2.603 1.00 0.00 H new ATOM 0 HE2 LYS A 132 141.031 9.139 -0.331 1.00 0.00 H new ATOM 0 HE3 LYS A 132 141.616 7.673 0.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 143.408 9.318 0.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 143.747 7.948 -0.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 143.180 9.369 -1.479 1.00 0.00 H new ATOM 2114 N ASP A 133 138.088 3.628 -4.287 1.00 0.00 N ATOM 2115 CA ASP A 133 137.718 2.959 -5.568 1.00 0.00 C ATOM 2116 C ASP A 133 136.315 2.354 -5.491 1.00 0.00 C ATOM 2117 O ASP A 133 135.914 1.601 -6.358 1.00 0.00 O ATOM 2118 CB ASP A 133 138.779 1.886 -5.821 1.00 0.00 C ATOM 2119 CG ASP A 133 138.837 0.907 -4.646 1.00 0.00 C ATOM 2120 OD1 ASP A 133 138.149 1.137 -3.665 1.00 0.00 O ATOM 2121 OD2 ASP A 133 139.570 -0.064 -4.749 1.00 0.00 O1- ATOM 0 H ASP A 133 138.490 3.025 -3.569 1.00 0.00 H new ATOM 0 HA ASP A 133 137.691 3.675 -6.389 1.00 0.00 H new ATOM 0 HB2 ASP A 133 138.549 1.348 -6.740 1.00 0.00 H new ATOM 0 HB3 ASP A 133 139.753 2.354 -5.961 1.00 0.00 H new ATOM 2126 N ASP A 134 135.563 2.666 -4.447 1.00 0.00 N ATOM 2127 CA ASP A 134 134.178 2.106 -4.295 1.00 0.00 C ATOM 2128 C ASP A 134 133.414 2.143 -5.626 1.00 0.00 C ATOM 2129 O ASP A 134 133.450 3.122 -6.347 1.00 0.00 O ATOM 2130 CB ASP A 134 133.481 3.023 -3.285 1.00 0.00 C ATOM 2131 CG ASP A 134 132.190 2.356 -2.800 1.00 0.00 C ATOM 2132 OD1 ASP A 134 132.288 1.347 -2.119 1.00 0.00 O1- ATOM 2133 OD2 ASP A 134 131.127 2.863 -3.119 1.00 0.00 O ATOM 0 H ASP A 134 135.856 3.288 -3.694 1.00 0.00 H new ATOM 0 HA ASP A 134 134.210 1.065 -3.972 1.00 0.00 H new ATOM 0 HB2 ASP A 134 134.141 3.220 -2.440 1.00 0.00 H new ATOM 0 HB3 ASP A 134 133.256 3.985 -3.745 1.00 0.00 H new ATOM 2138 N ILE A 135 132.766 1.076 -5.950 1.00 0.00 N ATOM 2139 CA ILE A 135 132.017 1.009 -7.246 1.00 0.00 C ATOM 2140 C ILE A 135 130.499 1.009 -6.970 1.00 0.00 C ATOM 2141 O ILE A 135 130.040 0.359 -6.048 1.00 0.00 O ATOM 2142 CB ILE A 135 132.480 -0.298 -7.966 1.00 0.00 C ATOM 2143 CG1 ILE A 135 131.724 -1.551 -7.444 1.00 0.00 C ATOM 2144 CG2 ILE A 135 133.996 -0.515 -7.796 1.00 0.00 C ATOM 2145 CD1 ILE A 135 132.065 -1.840 -5.979 1.00 0.00 C ATOM 0 H ILE A 135 132.714 0.233 -5.378 1.00 0.00 H new ATOM 0 HA ILE A 135 132.221 1.871 -7.881 1.00 0.00 H new ATOM 0 HB ILE A 135 132.246 -0.169 -9.023 1.00 0.00 H new ATOM 0 HG12 ILE A 135 130.650 -1.398 -7.546 1.00 0.00 H new ATOM 0 HG13 ILE A 135 131.982 -2.415 -8.056 1.00 0.00 H new ATOM 0 HG21 ILE A 135 134.292 -1.431 -8.307 1.00 0.00 H new ATOM 0 HG22 ILE A 135 134.535 0.330 -8.225 1.00 0.00 H new ATOM 0 HG23 ILE A 135 134.235 -0.597 -6.736 1.00 0.00 H new ATOM 0 HD11 ILE A 135 131.519 -2.723 -5.646 1.00 0.00 H new ATOM 0 HD12 ILE A 135 133.136 -2.018 -5.883 1.00 0.00 H new ATOM 0 HD13 ILE A 135 131.783 -0.985 -5.364 1.00 0.00 H new ATOM 2157 N ASP A 136 129.740 1.697 -7.763 1.00 0.00 N ATOM 2158 CA ASP A 136 128.260 1.722 -7.552 1.00 0.00 C ATOM 2159 C ASP A 136 127.575 0.715 -8.484 1.00 0.00 C ATOM 2160 O ASP A 136 127.251 1.004 -9.619 1.00 0.00 O ATOM 2161 CB ASP A 136 127.831 3.152 -7.895 1.00 0.00 C ATOM 2162 CG ASP A 136 128.254 3.496 -9.330 1.00 0.00 C ATOM 2163 OD1 ASP A 136 128.951 2.699 -9.940 1.00 0.00 O1- ATOM 2164 OD2 ASP A 136 127.884 4.559 -9.794 1.00 0.00 O ATOM 0 H ASP A 136 130.074 2.248 -8.554 1.00 0.00 H new ATOM 0 HA ASP A 136 127.984 1.450 -6.533 1.00 0.00 H new ATOM 0 HB2 ASP A 136 126.750 3.251 -7.792 1.00 0.00 H new ATOM 0 HB3 ASP A 136 128.284 3.854 -7.195 1.00 0.00 H new ATOM 2169 N GLU A 137 127.372 -0.475 -8.001 1.00 0.00 N ATOM 2170 CA GLU A 137 126.736 -1.548 -8.822 1.00 0.00 C ATOM 2171 C GLU A 137 125.266 -1.241 -9.142 1.00 0.00 C ATOM 2172 O GLU A 137 124.772 -1.586 -10.198 1.00 0.00 O ATOM 2173 CB GLU A 137 126.818 -2.785 -7.935 1.00 0.00 C ATOM 2174 CG GLU A 137 128.288 -3.167 -7.718 1.00 0.00 C ATOM 2175 CD GLU A 137 128.379 -4.330 -6.722 1.00 0.00 C ATOM 2176 OE1 GLU A 137 127.343 -4.775 -6.250 1.00 0.00 O ATOM 2177 OE2 GLU A 137 129.486 -4.758 -6.444 1.00 0.00 O1- ATOM 0 H GLU A 137 127.624 -0.759 -7.054 1.00 0.00 H new ATOM 0 HA GLU A 137 127.234 -1.660 -9.785 1.00 0.00 H new ATOM 0 HB2 GLU A 137 126.337 -2.590 -6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 137 126.281 -3.613 -8.398 1.00 0.00 H new ATOM 0 HG2 GLU A 137 128.744 -3.452 -8.666 1.00 0.00 H new ATOM 0 HG3 GLU A 137 128.845 -2.309 -7.342 1.00 0.00 H new ATOM 2184 N LEU A 138 124.552 -0.624 -8.239 1.00 0.00 N ATOM 2185 CA LEU A 138 123.117 -0.343 -8.504 1.00 0.00 C ATOM 2186 C LEU A 138 122.861 1.154 -8.738 1.00 0.00 C ATOM 2187 O LEU A 138 123.562 1.988 -8.204 1.00 0.00 O ATOM 2188 CB LEU A 138 122.373 -0.775 -7.241 1.00 0.00 C ATOM 2189 CG LEU A 138 122.061 -2.269 -7.298 1.00 0.00 C ATOM 2190 CD1 LEU A 138 123.271 -3.060 -6.796 1.00 0.00 C ATOM 2191 CD2 LEU A 138 120.854 -2.561 -6.402 1.00 0.00 C ATOM 0 H LEU A 138 124.900 -0.305 -7.335 1.00 0.00 H new ATOM 0 HA LEU A 138 122.789 -0.871 -9.400 1.00 0.00 H new ATOM 0 HB2 LEU A 138 122.978 -0.556 -6.361 1.00 0.00 H new ATOM 0 HB3 LEU A 138 121.448 -0.206 -7.142 1.00 0.00 H new ATOM 0 HG LEU A 138 121.838 -2.561 -8.324 1.00 0.00 H new ATOM 0 HD11 LEU A 138 123.050 -4.127 -6.836 1.00 0.00 H new ATOM 0 HD12 LEU A 138 124.134 -2.844 -7.426 1.00 0.00 H new ATOM 0 HD13 LEU A 138 123.492 -2.773 -5.768 1.00 0.00 H new ATOM 0 HD21 LEU A 138 120.624 -3.626 -6.437 1.00 0.00 H new ATOM 0 HD22 LEU A 138 121.084 -2.273 -5.376 1.00 0.00 H new ATOM 0 HD23 LEU A 138 119.993 -1.992 -6.754 1.00 0.00 H new ATOM 2203 N PRO A 139 121.826 1.444 -9.493 1.00 0.00 N ATOM 2204 CA PRO A 139 121.441 2.852 -9.742 1.00 0.00 C ATOM 2205 C PRO A 139 120.768 3.390 -8.475 1.00 0.00 C ATOM 2206 O PRO A 139 120.800 2.745 -7.445 1.00 0.00 O ATOM 2207 CB PRO A 139 120.454 2.756 -10.901 1.00 0.00 C ATOM 2208 CG PRO A 139 119.882 1.376 -10.809 1.00 0.00 C ATOM 2209 CD PRO A 139 120.926 0.502 -10.187 1.00 0.00 C ATOM 0 HA PRO A 139 122.271 3.518 -9.978 1.00 0.00 H new ATOM 0 HB2 PRO A 139 119.674 3.513 -10.819 1.00 0.00 H new ATOM 0 HB3 PRO A 139 120.952 2.914 -11.858 1.00 0.00 H new ATOM 0 HG2 PRO A 139 118.973 1.376 -10.208 1.00 0.00 H new ATOM 0 HG3 PRO A 139 119.610 1.006 -11.798 1.00 0.00 H new ATOM 0 HD2 PRO A 139 120.484 -0.211 -9.491 1.00 0.00 H new ATOM 0 HD3 PRO A 139 121.461 -0.077 -10.940 1.00 0.00 H new ATOM 2217 N ASN A 140 120.151 4.536 -8.520 1.00 0.00 N ATOM 2218 CA ASN A 140 119.471 5.057 -7.295 1.00 0.00 C ATOM 2219 C ASN A 140 117.992 5.338 -7.583 1.00 0.00 C ATOM 2220 O ASN A 140 117.279 5.858 -6.747 1.00 0.00 O ATOM 2221 CB ASN A 140 120.207 6.350 -6.957 1.00 0.00 C ATOM 2222 CG ASN A 140 121.695 6.051 -6.779 1.00 0.00 C ATOM 2223 OD1 ASN A 140 122.536 6.808 -7.221 1.00 0.00 O ATOM 2224 ND2 ASN A 140 122.058 4.968 -6.150 1.00 0.00 N ATOM 0 H ASN A 140 120.086 5.134 -9.344 1.00 0.00 H new ATOM 0 HA ASN A 140 119.500 4.343 -6.472 1.00 0.00 H new ATOM 0 HB2 ASN A 140 120.064 7.082 -7.752 1.00 0.00 H new ATOM 0 HB3 ASN A 140 119.800 6.786 -6.045 1.00 0.00 H new ATOM 0 HD21 ASN A 140 123.048 4.756 -6.029 1.00 0.00 H new ATOM 0 HD22 ASN A 140 121.352 4.333 -5.779 1.00 0.00 H new ATOM 2231 N THR A 141 117.524 5.012 -8.763 1.00 0.00 N ATOM 2232 CA THR A 141 116.094 5.279 -9.098 1.00 0.00 C ATOM 2233 C THR A 141 115.165 4.485 -8.168 1.00 0.00 C ATOM 2234 O THR A 141 115.602 3.651 -7.401 1.00 0.00 O ATOM 2235 CB THR A 141 115.927 4.813 -10.552 1.00 0.00 C ATOM 2236 OG1 THR A 141 116.183 3.417 -10.635 1.00 0.00 O ATOM 2237 CG2 THR A 141 116.905 5.562 -11.463 1.00 0.00 C ATOM 0 H THR A 141 118.070 4.574 -9.505 1.00 0.00 H new ATOM 0 HA THR A 141 115.837 6.331 -8.975 1.00 0.00 H new ATOM 0 HB THR A 141 114.907 5.022 -10.875 1.00 0.00 H new ATOM 0 HG1 THR A 141 116.075 3.119 -11.562 1.00 0.00 H new ATOM 0 HG21 THR A 141 116.777 5.223 -12.491 1.00 0.00 H new ATOM 0 HG22 THR A 141 116.708 6.632 -11.407 1.00 0.00 H new ATOM 0 HG23 THR A 141 117.927 5.364 -11.140 1.00 0.00 H new ATOM 2245 N ILE A 142 113.883 4.744 -8.236 1.00 0.00 N ATOM 2246 CA ILE A 142 112.915 4.013 -7.360 1.00 0.00 C ATOM 2247 C ILE A 142 112.183 2.941 -8.171 1.00 0.00 C ATOM 2248 O ILE A 142 111.806 3.158 -9.303 1.00 0.00 O ATOM 2249 CB ILE A 142 111.924 5.072 -6.873 1.00 0.00 C ATOM 2250 CG1 ILE A 142 112.657 6.112 -6.024 1.00 0.00 C ATOM 2251 CG2 ILE A 142 110.833 4.409 -6.023 1.00 0.00 C ATOM 2252 CD1 ILE A 142 111.739 7.315 -5.798 1.00 0.00 C ATOM 0 H ILE A 142 113.464 5.432 -8.862 1.00 0.00 H new ATOM 0 HA ILE A 142 113.414 3.513 -6.530 1.00 0.00 H new ATOM 0 HB ILE A 142 111.470 5.558 -7.737 1.00 0.00 H new ATOM 0 HG12 ILE A 142 112.949 5.678 -5.068 1.00 0.00 H new ATOM 0 HG13 ILE A 142 113.573 6.427 -6.524 1.00 0.00 H new ATOM 0 HG21 ILE A 142 110.130 5.167 -5.678 1.00 0.00 H new ATOM 0 HG22 ILE A 142 110.304 3.669 -6.623 1.00 0.00 H new ATOM 0 HG23 ILE A 142 111.289 3.919 -5.163 1.00 0.00 H new ATOM 0 HD11 ILE A 142 112.257 8.059 -5.193 1.00 0.00 H new ATOM 0 HD12 ILE A 142 111.469 7.752 -6.759 1.00 0.00 H new ATOM 0 HD13 ILE A 142 110.836 6.991 -5.280 1.00 0.00 H new ATOM 2264 N SER A 143 111.958 1.796 -7.590 1.00 0.00 N ATOM 2265 CA SER A 143 111.227 0.722 -8.319 1.00 0.00 C ATOM 2266 C SER A 143 109.743 0.766 -7.942 1.00 0.00 C ATOM 2267 O SER A 143 109.394 0.920 -6.788 1.00 0.00 O ATOM 2268 CB SER A 143 111.866 -0.581 -7.854 1.00 0.00 C ATOM 2269 OG SER A 143 111.110 -1.668 -8.357 1.00 0.00 O ATOM 0 H SER A 143 112.249 1.557 -6.642 1.00 0.00 H new ATOM 0 HA SER A 143 111.288 0.832 -9.402 1.00 0.00 H new ATOM 0 HB2 SER A 143 112.896 -0.643 -8.207 1.00 0.00 H new ATOM 0 HB3 SER A 143 111.899 -0.617 -6.765 1.00 0.00 H new ATOM 0 HG SER A 143 110.656 -2.122 -7.616 1.00 0.00 H new ATOM 2275 N LYS A 144 108.864 0.640 -8.902 1.00 0.00 N ATOM 2276 CA LYS A 144 107.406 0.689 -8.582 1.00 0.00 C ATOM 2277 C LYS A 144 106.657 -0.508 -9.176 1.00 0.00 C ATOM 2278 O LYS A 144 106.986 -1.000 -10.236 1.00 0.00 O ATOM 2279 CB LYS A 144 106.902 1.978 -9.225 1.00 0.00 C ATOM 2280 CG LYS A 144 107.529 3.184 -8.530 1.00 0.00 C ATOM 2281 CD LYS A 144 106.969 4.465 -9.149 1.00 0.00 C ATOM 2282 CE LYS A 144 107.639 5.677 -8.503 1.00 0.00 C ATOM 2283 NZ LYS A 144 107.321 5.564 -7.051 1.00 0.00 N1+ ATOM 0 H LYS A 144 109.090 0.506 -9.888 1.00 0.00 H new ATOM 0 HA LYS A 144 107.241 0.657 -7.505 1.00 0.00 H new ATOM 0 HB2 LYS A 144 107.152 1.988 -10.286 1.00 0.00 H new ATOM 0 HB3 LYS A 144 105.816 2.030 -9.153 1.00 0.00 H new ATOM 0 HG2 LYS A 144 107.313 3.157 -7.462 1.00 0.00 H new ATOM 0 HG3 LYS A 144 108.613 3.158 -8.637 1.00 0.00 H new ATOM 0 HD2 LYS A 144 107.145 4.469 -10.225 1.00 0.00 H new ATOM 0 HD3 LYS A 144 105.890 4.511 -9.002 1.00 0.00 H new ATOM 0 HE2 LYS A 144 108.716 5.670 -8.673 1.00 0.00 H new ATOM 0 HE3 LYS A 144 107.256 6.609 -8.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 107.306 6.512 -6.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 106.390 5.116 -6.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 108.045 4.984 -6.581 1.00 0.00 H new ATOM 2297 N GLY A 145 105.634 -0.964 -8.500 1.00 0.00 N ATOM 2298 CA GLY A 145 104.838 -2.113 -9.019 1.00 0.00 C ATOM 2299 C GLY A 145 103.805 -1.599 -10.025 1.00 0.00 C ATOM 2300 O GLY A 145 103.202 -2.418 -10.699 1.00 0.00 O ATOM 2301 OXT GLY A 145 103.634 -0.393 -10.105 1.00 0.00 O ATOM 0 H GLY A 145 105.316 -0.587 -7.607 1.00 0.00 H new ATOM 0 HA2 GLY A 145 105.496 -2.840 -9.495 1.00 0.00 H new ATOM 0 HA3 GLY A 145 104.338 -2.625 -8.197 1.00 0.00 H new