USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 691 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 91 THR OG1 : rot -62:sc= 0.417 USER MOD Set 1.2: A 92 GLN : amide:sc= -0.024 X(o=0.39,f=0.37) USER MOD Set 2.1: A 59 SER OG : rot -21:sc= -0.381! USER MOD Set 2.2: A 82 HIS : no HD1:sc= -3.87! C(o=-4.2!,f=-8.8!) USER MOD Set 3.1: A 43 ASN :FLIP amide:sc= -0.957 F(o=-3.7!,f=-0.96) USER MOD Set 3.2: A 79 CYS SG : rot -130:sc= 0 USER MOD Set 4.1: A 42 TYR OH : rot 56:sc= 0 USER MOD Set 4.2: A 58 ASN : amide:sc= -0.0667 K(o=-0.067,f=-3.8!) USER MOD Set 5.1: A 30 ASN : amide:sc= 0.16 K(o=0.94,f=-3.5!) USER MOD Set 5.2: A 32 GLN : amide:sc= 0.782 K(o=0.94,f=-2.5) USER MOD Single : A 13 SER OG : rot 180:sc= -0.0117 USER MOD Single : A 14 GLN : amide:sc= -1.48! X(o=-1.5!,f=-1.6) USER MOD Single : A 15 ASN : amide:sc= -0.607 K(o=-0.61,f=-3.4!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -160:sc= -1! USER MOD Single : A 27 HIS : no HE2:sc= 0.863 K(o=0.86,f=-2.6!) USER MOD Single : A 28 LYS NZ :NH3+ 146:sc= -2.6! (180deg=-4.41!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.279 USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= -0.0192 (180deg=-0.194) USER MOD Single : A 38 LYS NZ :NH3+ 142:sc= -1.09 (180deg=-2.89!) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.044 F(o=-1.4,f=-0.044) USER MOD Single : A 45 MET CE :methyl -149:sc= -0.279 (180deg=-2.58!) USER MOD Single : A 55 LYS NZ :NH3+ -139:sc= -0.42 (180deg=-3.82!) USER MOD Single : A 62 GLN : amide:sc= 0.799 K(o=0.8,f=-0.15) USER MOD Single : A 66 LYS NZ :NH3+ -169:sc= -0.0262 (180deg=-0.158) USER MOD Single : A 67 MET CE :methyl 139:sc= -1.41 (180deg=-4.11!) USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= 0.745 (180deg=0.527) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -170:sc= 1.24 (180deg=0.91) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.148) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot -102:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 89 N GLU A 7 16.757 -6.337 -0.878 1.00 61.53 N ATOM 90 CA GLU A 7 15.710 -6.234 0.145 1.00 30.12 C ATOM 91 C GLU A 7 14.969 -4.891 0.068 1.00 13.54 C ATOM 92 O GLU A 7 15.509 -3.850 0.447 1.00 33.34 O ATOM 93 CB GLU A 7 16.317 -6.417 1.543 1.00 43.02 C ATOM 94 CG GLU A 7 16.866 -7.814 1.800 1.00 33.31 C ATOM 95 CD GLU A 7 17.489 -7.952 3.180 1.00 60.23 C ATOM 96 OE1 GLU A 7 16.735 -7.989 4.174 1.00 60.41 O ATOM 97 OE2 GLU A 7 18.731 -8.024 3.279 1.00 10.11 O ATOM 0 HA GLU A 7 14.986 -7.026 -0.044 1.00 30.12 H new ATOM 0 HB2 GLU A 7 17.119 -5.692 1.678 1.00 43.02 H new ATOM 0 HB3 GLU A 7 15.556 -6.193 2.291 1.00 43.02 H new ATOM 0 HG2 GLU A 7 16.062 -8.542 1.694 1.00 33.31 H new ATOM 0 HG3 GLU A 7 17.613 -8.052 1.043 1.00 33.31 H new ATOM 104 N VAL A 8 13.732 -4.923 -0.422 1.00 43.03 N ATOM 105 CA VAL A 8 12.901 -3.717 -0.537 1.00 10.41 C ATOM 106 C VAL A 8 11.711 -3.747 0.444 1.00 43.45 C ATOM 107 O VAL A 8 11.213 -4.817 0.810 1.00 34.52 O ATOM 108 CB VAL A 8 12.368 -3.539 -1.983 1.00 20.01 C ATOM 109 CG1 VAL A 8 13.525 -3.418 -2.977 1.00 60.33 C ATOM 110 CG2 VAL A 8 11.441 -4.693 -2.372 1.00 1.44 C ATOM 0 H VAL A 8 13.276 -5.775 -0.749 1.00 43.03 H new ATOM 0 HA VAL A 8 13.541 -2.872 -0.283 1.00 10.41 H new ATOM 0 HB VAL A 8 11.790 -2.615 -2.016 1.00 20.01 H new ATOM 0 HG11 VAL A 8 13.128 -3.294 -3.984 1.00 60.33 H new ATOM 0 HG12 VAL A 8 14.137 -2.554 -2.719 1.00 60.33 H new ATOM 0 HG13 VAL A 8 14.136 -4.320 -2.936 1.00 60.33 H new ATOM 0 HG21 VAL A 8 11.081 -4.544 -3.390 1.00 1.44 H new ATOM 0 HG22 VAL A 8 11.988 -5.634 -2.315 1.00 1.44 H new ATOM 0 HG23 VAL A 8 10.592 -4.724 -1.689 1.00 1.44 H new ATOM 120 N VAL A 9 11.267 -2.563 0.866 1.00 61.41 N ATOM 121 CA VAL A 9 10.136 -2.429 1.793 1.00 33.11 C ATOM 122 C VAL A 9 9.093 -1.429 1.268 1.00 61.52 C ATOM 123 O VAL A 9 9.441 -0.398 0.686 1.00 11.34 O ATOM 124 CB VAL A 9 10.603 -1.977 3.204 1.00 4.03 C ATOM 125 CG1 VAL A 9 11.496 -3.036 3.847 1.00 64.51 C ATOM 126 CG2 VAL A 9 11.323 -0.631 3.135 1.00 32.42 C ATOM 0 H VAL A 9 11.676 -1.674 0.579 1.00 61.41 H new ATOM 0 HA VAL A 9 9.680 -3.416 1.868 1.00 33.11 H new ATOM 0 HB VAL A 9 9.718 -1.856 3.828 1.00 4.03 H new ATOM 0 HG11 VAL A 9 11.810 -2.697 4.834 1.00 64.51 H new ATOM 0 HG12 VAL A 9 10.942 -3.969 3.944 1.00 64.51 H new ATOM 0 HG13 VAL A 9 12.375 -3.199 3.223 1.00 64.51 H new ATOM 0 HG21 VAL A 9 11.640 -0.336 4.135 1.00 32.42 H new ATOM 0 HG22 VAL A 9 12.196 -0.718 2.488 1.00 32.42 H new ATOM 0 HG23 VAL A 9 10.647 0.123 2.732 1.00 32.42 H new ATOM 136 N ALA A 10 7.820 -1.742 1.471 1.00 23.22 N ATOM 137 CA ALA A 10 6.727 -0.857 1.062 1.00 51.13 C ATOM 138 C ALA A 10 6.358 0.128 2.184 1.00 52.54 C ATOM 139 O ALA A 10 5.900 -0.277 3.253 1.00 42.51 O ATOM 140 CB ALA A 10 5.508 -1.679 0.656 1.00 2.42 C ATOM 0 H ALA A 10 7.514 -2.606 1.919 1.00 23.22 H new ATOM 0 HA ALA A 10 7.065 -0.276 0.204 1.00 51.13 H new ATOM 0 HB1 ALA A 10 4.702 -1.010 0.354 1.00 2.42 H new ATOM 0 HB2 ALA A 10 5.770 -2.331 -0.177 1.00 2.42 H new ATOM 0 HB3 ALA A 10 5.180 -2.284 1.501 1.00 2.42 H new ATOM 146 N ILE A 11 6.572 1.420 1.936 1.00 24.12 N ATOM 147 CA ILE A 11 6.241 2.468 2.911 1.00 2.51 C ATOM 148 C ILE A 11 4.864 3.083 2.616 1.00 71.11 C ATOM 149 O ILE A 11 4.676 3.754 1.600 1.00 50.12 O ATOM 150 CB ILE A 11 7.304 3.596 2.907 1.00 40.02 C ATOM 151 CG1 ILE A 11 8.719 3.012 3.091 1.00 51.51 C ATOM 152 CG2 ILE A 11 7.001 4.634 3.989 1.00 52.25 C ATOM 153 CD1 ILE A 11 8.917 2.256 4.389 1.00 51.15 C ATOM 0 H ILE A 11 6.974 1.770 1.067 1.00 24.12 H new ATOM 0 HA ILE A 11 6.224 1.994 3.892 1.00 2.51 H new ATOM 0 HB ILE A 11 7.264 4.096 1.939 1.00 40.02 H new ATOM 0 HG12 ILE A 11 8.935 2.343 2.258 1.00 51.51 H new ATOM 0 HG13 ILE A 11 9.444 3.825 3.043 1.00 51.51 H new ATOM 0 HG21 ILE A 11 7.761 5.415 3.967 1.00 52.25 H new ATOM 0 HG22 ILE A 11 6.021 5.075 3.806 1.00 52.25 H new ATOM 0 HG23 ILE A 11 7.005 4.152 4.967 1.00 52.25 H new ATOM 0 HD11 ILE A 11 9.938 1.879 4.438 1.00 51.15 H new ATOM 0 HD12 ILE A 11 8.736 2.925 5.231 1.00 51.15 H new ATOM 0 HD13 ILE A 11 8.219 1.420 4.433 1.00 51.15 H new ATOM 165 N ILE A 12 3.900 2.843 3.503 1.00 71.44 N ATOM 166 CA ILE A 12 2.537 3.356 3.330 1.00 14.24 C ATOM 167 C ILE A 12 2.309 4.628 4.163 1.00 12.31 C ATOM 168 O ILE A 12 2.337 4.593 5.397 1.00 31.52 O ATOM 169 CB ILE A 12 1.461 2.299 3.723 1.00 4.51 C ATOM 170 CG1 ILE A 12 1.548 1.035 2.841 1.00 3.21 C ATOM 171 CG2 ILE A 12 0.064 2.910 3.628 1.00 41.03 C ATOM 172 CD1 ILE A 12 2.766 0.173 3.094 1.00 22.24 C ATOM 0 H ILE A 12 4.036 2.295 4.352 1.00 71.44 H new ATOM 0 HA ILE A 12 2.432 3.589 2.270 1.00 14.24 H new ATOM 0 HB ILE A 12 1.656 1.998 4.752 1.00 4.51 H new ATOM 0 HG12 ILE A 12 0.653 0.433 3.002 1.00 3.21 H new ATOM 0 HG13 ILE A 12 1.544 1.338 1.794 1.00 3.21 H new ATOM 0 HG21 ILE A 12 -0.680 2.163 3.905 1.00 41.03 H new ATOM 0 HG22 ILE A 12 -0.008 3.761 4.305 1.00 41.03 H new ATOM 0 HG23 ILE A 12 -0.119 3.243 2.606 1.00 41.03 H new ATOM 0 HD11 ILE A 12 2.744 -0.692 2.431 1.00 22.24 H new ATOM 0 HD12 ILE A 12 3.669 0.754 2.904 1.00 22.24 H new ATOM 0 HD13 ILE A 12 2.764 -0.165 4.130 1.00 22.24 H new ATOM 184 N SER A 13 2.091 5.751 3.485 1.00 1.22 N ATOM 185 CA SER A 13 1.794 7.024 4.158 1.00 1.23 C ATOM 186 C SER A 13 0.359 7.483 3.870 1.00 0.13 C ATOM 187 O SER A 13 -0.127 7.362 2.748 1.00 52.34 O ATOM 188 CB SER A 13 2.779 8.111 3.713 1.00 72.04 C ATOM 189 OG SER A 13 4.106 7.800 4.112 1.00 1.13 O ATOM 0 H SER A 13 2.113 5.811 2.467 1.00 1.22 H new ATOM 0 HA SER A 13 1.898 6.861 5.231 1.00 1.23 H new ATOM 0 HB2 SER A 13 2.739 8.219 2.629 1.00 72.04 H new ATOM 0 HB3 SER A 13 2.484 9.069 4.140 1.00 72.04 H new ATOM 0 HG SER A 13 4.712 8.510 3.813 1.00 1.13 H new ATOM 195 N GLN A 14 -0.311 8.013 4.887 1.00 75.53 N ATOM 196 CA GLN A 14 -1.685 8.506 4.749 1.00 12.03 C ATOM 197 C GLN A 14 -1.820 9.936 5.296 1.00 2.50 C ATOM 198 O GLN A 14 -1.292 10.249 6.361 1.00 74.34 O ATOM 199 CB GLN A 14 -2.651 7.581 5.496 1.00 33.02 C ATOM 200 CG GLN A 14 -4.106 8.020 5.418 1.00 61.21 C ATOM 201 CD GLN A 14 -5.023 7.184 6.292 1.00 63.32 C ATOM 202 OE1 GLN A 14 -4.625 6.676 7.337 1.00 60.31 O ATOM 203 NE2 GLN A 14 -6.257 7.036 5.871 1.00 12.23 N ATOM 0 H GLN A 14 0.075 8.115 5.826 1.00 75.53 H new ATOM 0 HA GLN A 14 -1.933 8.517 3.688 1.00 12.03 H new ATOM 0 HB2 GLN A 14 -2.563 6.574 5.089 1.00 33.02 H new ATOM 0 HB3 GLN A 14 -2.353 7.529 6.543 1.00 33.02 H new ATOM 0 HG2 GLN A 14 -4.181 9.066 5.717 1.00 61.21 H new ATOM 0 HG3 GLN A 14 -4.444 7.959 4.383 1.00 61.21 H new ATOM 0 HE21 GLN A 14 -6.554 7.472 4.998 1.00 12.23 H new ATOM 0 HE22 GLN A 14 -6.919 6.485 6.417 1.00 12.23 H new ATOM 212 N ASN A 15 -2.511 10.802 4.553 1.00 14.01 N ATOM 213 CA ASN A 15 -2.775 12.188 4.983 1.00 64.04 C ATOM 214 C ASN A 15 -1.485 12.980 5.291 1.00 54.11 C ATOM 215 O ASN A 15 -1.548 14.087 5.826 1.00 75.11 O ATOM 216 CB ASN A 15 -3.703 12.195 6.211 1.00 72.14 C ATOM 217 CG ASN A 15 -5.111 11.718 5.891 1.00 23.04 C ATOM 218 OD1 ASN A 15 -5.331 10.948 4.962 1.00 3.41 O ATOM 219 ND2 ASN A 15 -6.076 12.163 6.670 1.00 30.10 N ATOM 0 H ASN A 15 -2.904 10.570 3.641 1.00 14.01 H new ATOM 0 HA ASN A 15 -3.262 12.689 4.146 1.00 64.04 H new ATOM 0 HB2 ASN A 15 -3.276 11.558 6.986 1.00 72.14 H new ATOM 0 HB3 ASN A 15 -3.751 13.205 6.618 1.00 72.14 H new ATOM 0 HD21 ASN A 15 -7.039 11.868 6.509 1.00 30.10 H new ATOM 0 HD22 ASN A 15 -5.860 12.803 7.435 1.00 30.10 H new ATOM 226 N GLY A 16 -0.325 12.421 4.941 1.00 30.02 N ATOM 227 CA GLY A 16 0.949 13.098 5.187 1.00 12.14 C ATOM 228 C GLY A 16 1.813 12.424 6.258 1.00 63.22 C ATOM 229 O GLY A 16 2.958 12.826 6.480 1.00 73.44 O ATOM 0 H GLY A 16 -0.241 11.510 4.490 1.00 30.02 H new ATOM 0 HA2 GLY A 16 1.512 13.142 4.255 1.00 12.14 H new ATOM 0 HA3 GLY A 16 0.751 14.127 5.488 1.00 12.14 H new ATOM 233 N LYS A 17 1.270 11.407 6.925 1.00 12.43 N ATOM 234 CA LYS A 17 2.006 10.670 7.966 1.00 61.03 C ATOM 235 C LYS A 17 2.299 9.221 7.534 1.00 43.24 C ATOM 236 O LYS A 17 1.491 8.596 6.848 1.00 32.25 O ATOM 237 CB LYS A 17 1.197 10.653 9.275 1.00 53.30 C ATOM 238 CG LYS A 17 -0.151 9.940 9.151 1.00 53.13 C ATOM 239 CD LYS A 17 -0.869 9.809 10.491 1.00 54.42 C ATOM 240 CE LYS A 17 -1.228 11.163 11.091 1.00 71.53 C ATOM 241 NZ LYS A 17 -1.965 11.019 12.372 1.00 41.11 N ATOM 0 H LYS A 17 0.321 11.069 6.767 1.00 12.43 H new ATOM 0 HA LYS A 17 2.955 11.183 8.121 1.00 61.03 H new ATOM 0 HB2 LYS A 17 1.787 10.165 10.051 1.00 53.30 H new ATOM 0 HB3 LYS A 17 1.028 11.679 9.601 1.00 53.30 H new ATOM 0 HG2 LYS A 17 -0.786 10.488 8.455 1.00 53.13 H new ATOM 0 HG3 LYS A 17 0.004 8.948 8.727 1.00 53.13 H new ATOM 0 HD2 LYS A 17 -1.777 9.221 10.358 1.00 54.42 H new ATOM 0 HD3 LYS A 17 -0.235 9.262 11.188 1.00 54.42 H new ATOM 0 HE2 LYS A 17 -0.318 11.740 11.258 1.00 71.53 H new ATOM 0 HE3 LYS A 17 -1.836 11.725 10.382 1.00 71.53 H new ATOM 0 HZ1 LYS A 17 -2.192 11.961 12.750 1.00 41.11 H new ATOM 0 HZ2 LYS A 17 -2.846 10.490 12.208 1.00 41.11 H new ATOM 0 HZ3 LYS A 17 -1.374 10.505 13.056 1.00 41.11 H new ATOM 255 N VAL A 18 3.450 8.689 7.936 1.00 63.00 N ATOM 256 CA VAL A 18 3.767 7.275 7.697 1.00 34.44 C ATOM 257 C VAL A 18 2.975 6.385 8.670 1.00 13.32 C ATOM 258 O VAL A 18 3.114 6.509 9.890 1.00 1.54 O ATOM 259 CB VAL A 18 5.281 6.993 7.862 1.00 75.41 C ATOM 260 CG1 VAL A 18 5.605 5.538 7.527 1.00 30.25 C ATOM 261 CG2 VAL A 18 6.112 7.946 7.001 1.00 12.21 C ATOM 0 H VAL A 18 4.178 9.208 8.426 1.00 63.00 H new ATOM 0 HA VAL A 18 3.486 7.045 6.669 1.00 34.44 H new ATOM 0 HB VAL A 18 5.542 7.166 8.906 1.00 75.41 H new ATOM 0 HG11 VAL A 18 6.674 5.366 7.651 1.00 30.25 H new ATOM 0 HG12 VAL A 18 5.051 4.879 8.196 1.00 30.25 H new ATOM 0 HG13 VAL A 18 5.321 5.330 6.495 1.00 30.25 H new ATOM 0 HG21 VAL A 18 7.171 7.727 7.135 1.00 12.21 H new ATOM 0 HG22 VAL A 18 5.844 7.816 5.952 1.00 12.21 H new ATOM 0 HG23 VAL A 18 5.913 8.975 7.301 1.00 12.21 H new ATOM 271 N ILE A 19 2.134 5.498 8.135 1.00 62.51 N ATOM 272 CA ILE A 19 1.234 4.698 8.978 1.00 64.22 C ATOM 273 C ILE A 19 1.633 3.213 9.064 1.00 44.44 C ATOM 274 O ILE A 19 1.211 2.513 9.990 1.00 63.13 O ATOM 275 CB ILE A 19 -0.236 4.795 8.494 1.00 64.11 C ATOM 276 CG1 ILE A 19 -0.394 4.188 7.089 1.00 75.14 C ATOM 277 CG2 ILE A 19 -0.706 6.251 8.510 1.00 22.13 C ATOM 278 CD1 ILE A 19 -1.826 4.158 6.595 1.00 3.22 C ATOM 0 H ILE A 19 2.055 5.314 7.135 1.00 62.51 H new ATOM 0 HA ILE A 19 1.326 5.128 9.975 1.00 64.22 H new ATOM 0 HB ILE A 19 -0.860 4.221 9.179 1.00 64.11 H new ATOM 0 HG12 ILE A 19 0.211 4.760 6.386 1.00 75.14 H new ATOM 0 HG13 ILE A 19 -0.000 3.172 7.096 1.00 75.14 H new ATOM 0 HG21 ILE A 19 -1.740 6.303 8.168 1.00 22.13 H new ATOM 0 HG22 ILE A 19 -0.639 6.644 9.525 1.00 22.13 H new ATOM 0 HG23 ILE A 19 -0.074 6.844 7.849 1.00 22.13 H new ATOM 0 HD11 ILE A 19 -1.858 3.717 5.599 1.00 3.22 H new ATOM 0 HD12 ILE A 19 -2.433 3.561 7.276 1.00 3.22 H new ATOM 0 HD13 ILE A 19 -2.218 5.174 6.555 1.00 3.22 H new ATOM 290 N ARG A 20 2.438 2.725 8.116 1.00 53.03 N ATOM 291 CA ARG A 20 2.807 1.299 8.101 1.00 22.02 C ATOM 292 C ARG A 20 3.945 0.988 7.108 1.00 61.11 C ATOM 293 O ARG A 20 3.995 1.542 6.009 1.00 31.40 O ATOM 294 CB ARG A 20 1.572 0.448 7.751 1.00 40.30 C ATOM 295 CG ARG A 20 1.831 -1.054 7.756 1.00 3.55 C ATOM 296 CD ARG A 20 2.157 -1.580 9.150 1.00 63.41 C ATOM 297 NE ARG A 20 2.553 -2.989 9.120 1.00 72.32 N ATOM 298 CZ ARG A 20 2.057 -3.914 9.897 1.00 22.41 C ATOM 299 NH1 ARG A 20 1.129 -3.635 10.753 1.00 71.41 N ATOM 300 NH2 ARG A 20 2.493 -5.128 9.809 1.00 1.13 N ATOM 0 H ARG A 20 2.842 3.280 7.361 1.00 53.03 H new ATOM 0 HA ARG A 20 3.171 1.051 9.098 1.00 22.02 H new ATOM 0 HB2 ARG A 20 0.777 0.671 8.462 1.00 40.30 H new ATOM 0 HB3 ARG A 20 1.210 0.740 6.765 1.00 40.30 H new ATOM 0 HG2 ARG A 20 0.954 -1.573 7.370 1.00 3.55 H new ATOM 0 HG3 ARG A 20 2.657 -1.280 7.082 1.00 3.55 H new ATOM 0 HD2 ARG A 20 2.961 -0.986 9.584 1.00 63.41 H new ATOM 0 HD3 ARG A 20 1.287 -1.460 9.796 1.00 63.41 H new ATOM 0 HE ARG A 20 3.266 -3.268 8.446 1.00 72.32 H new ATOM 0 HH11 ARG A 20 0.774 -2.682 10.828 1.00 71.41 H new ATOM 0 HH12 ARG A 20 0.751 -4.368 11.353 1.00 71.41 H new ATOM 0 HH21 ARG A 20 3.222 -5.360 9.134 1.00 1.13 H new ATOM 0 HH22 ARG A 20 2.108 -5.853 10.414 1.00 1.13 H new ATOM 314 N GLU A 21 4.854 0.090 7.507 1.00 23.31 N ATOM 315 CA GLU A 21 5.924 -0.398 6.622 1.00 72.43 C ATOM 316 C GLU A 21 5.872 -1.935 6.507 1.00 2.45 C ATOM 317 O GLU A 21 5.781 -2.636 7.518 1.00 13.14 O ATOM 318 CB GLU A 21 7.314 0.017 7.146 1.00 0.30 C ATOM 319 CG GLU A 21 7.446 1.486 7.555 1.00 62.13 C ATOM 320 CD GLU A 21 6.834 1.783 8.918 1.00 55.10 C ATOM 321 OE1 GLU A 21 7.223 1.120 9.905 1.00 43.43 O ATOM 322 OE2 GLU A 21 5.983 2.686 9.016 1.00 50.11 O ATOM 0 H GLU A 21 4.871 -0.317 8.442 1.00 23.31 H new ATOM 0 HA GLU A 21 5.765 0.050 5.641 1.00 72.43 H new ATOM 0 HB2 GLU A 21 7.561 -0.606 8.005 1.00 0.30 H new ATOM 0 HB3 GLU A 21 8.054 -0.196 6.374 1.00 0.30 H new ATOM 0 HG2 GLU A 21 8.501 1.760 7.569 1.00 62.13 H new ATOM 0 HG3 GLU A 21 6.965 2.111 6.803 1.00 62.13 H new ATOM 329 N ILE A 22 5.914 -2.464 5.281 1.00 10.10 N ATOM 330 CA ILE A 22 5.919 -3.927 5.068 1.00 53.21 C ATOM 331 C ILE A 22 7.169 -4.386 4.295 1.00 61.05 C ATOM 332 O ILE A 22 7.444 -3.890 3.201 1.00 43.14 O ATOM 333 CB ILE A 22 4.662 -4.427 4.290 1.00 23.13 C ATOM 334 CG1 ILE A 22 3.362 -4.160 5.073 1.00 63.14 C ATOM 335 CG2 ILE A 22 4.783 -5.917 3.966 1.00 61.01 C ATOM 336 CD1 ILE A 22 2.885 -2.726 5.004 1.00 13.10 C ATOM 0 H ILE A 22 5.945 -1.913 4.423 1.00 10.10 H new ATOM 0 HA ILE A 22 5.916 -4.360 6.068 1.00 53.21 H new ATOM 0 HB ILE A 22 4.614 -3.864 3.358 1.00 23.13 H new ATOM 0 HG12 ILE A 22 2.578 -4.812 4.688 1.00 63.14 H new ATOM 0 HG13 ILE A 22 3.517 -4.431 6.117 1.00 63.14 H new ATOM 0 HG21 ILE A 22 3.896 -6.245 3.424 1.00 61.01 H new ATOM 0 HG22 ILE A 22 5.667 -6.085 3.351 1.00 61.01 H new ATOM 0 HG23 ILE A 22 4.872 -6.485 4.892 1.00 61.01 H new ATOM 0 HD11 ILE A 22 1.966 -2.620 5.580 1.00 13.10 H new ATOM 0 HD12 ILE A 22 3.650 -2.068 5.417 1.00 13.10 H new ATOM 0 HD13 ILE A 22 2.696 -2.455 3.965 1.00 13.10 H new ATOM 348 N PRO A 23 7.950 -5.334 4.853 1.00 24.43 N ATOM 349 CA PRO A 23 9.080 -5.950 4.135 1.00 65.11 C ATOM 350 C PRO A 23 8.607 -6.930 3.042 1.00 65.11 C ATOM 351 O PRO A 23 7.901 -7.900 3.326 1.00 34.21 O ATOM 352 CB PRO A 23 9.844 -6.687 5.244 1.00 54.41 C ATOM 353 CG PRO A 23 8.812 -6.995 6.278 1.00 65.31 C ATOM 354 CD PRO A 23 7.812 -5.864 6.227 1.00 40.32 C ATOM 0 HA PRO A 23 9.687 -5.215 3.607 1.00 65.11 H new ATOM 0 HB2 PRO A 23 10.309 -7.597 4.866 1.00 54.41 H new ATOM 0 HB3 PRO A 23 10.642 -6.068 5.654 1.00 54.41 H new ATOM 0 HG2 PRO A 23 8.329 -7.951 6.073 1.00 65.31 H new ATOM 0 HG3 PRO A 23 9.263 -7.071 7.267 1.00 65.31 H new ATOM 0 HD2 PRO A 23 6.799 -6.217 6.420 1.00 40.32 H new ATOM 0 HD3 PRO A 23 8.032 -5.101 6.974 1.00 40.32 H new ATOM 362 N LEU A 24 8.996 -6.669 1.793 1.00 31.12 N ATOM 363 CA LEU A 24 8.553 -7.487 0.656 1.00 32.03 C ATOM 364 C LEU A 24 9.549 -8.615 0.342 1.00 31.30 C ATOM 365 O LEU A 24 9.209 -9.797 0.389 1.00 12.50 O ATOM 366 CB LEU A 24 8.368 -6.597 -0.584 1.00 55.13 C ATOM 367 CG LEU A 24 7.368 -5.437 -0.426 1.00 51.42 C ATOM 368 CD1 LEU A 24 7.300 -4.604 -1.705 1.00 30.14 C ATOM 369 CD2 LEU A 24 5.984 -5.965 -0.051 1.00 62.54 C ATOM 0 H LEU A 24 9.616 -5.899 1.540 1.00 31.12 H new ATOM 0 HA LEU A 24 7.603 -7.947 0.927 1.00 32.03 H new ATOM 0 HB2 LEU A 24 9.338 -6.182 -0.860 1.00 55.13 H new ATOM 0 HB3 LEU A 24 8.042 -7.224 -1.414 1.00 55.13 H new ATOM 0 HG LEU A 24 7.718 -4.793 0.381 1.00 51.42 H new ATOM 0 HD11 LEU A 24 6.588 -3.790 -1.572 1.00 30.14 H new ATOM 0 HD12 LEU A 24 8.285 -4.192 -1.924 1.00 30.14 H new ATOM 0 HD13 LEU A 24 6.979 -5.235 -2.534 1.00 30.14 H new ATOM 0 HD21 LEU A 24 5.292 -5.129 0.056 1.00 62.54 H new ATOM 0 HD22 LEU A 24 5.626 -6.635 -0.833 1.00 62.54 H new ATOM 0 HD23 LEU A 24 6.045 -6.508 0.892 1.00 62.54 H new ATOM 381 N THR A 25 10.780 -8.236 0.022 1.00 55.05 N ATOM 382 CA THR A 25 11.816 -9.195 -0.383 1.00 23.01 C ATOM 383 C THR A 25 12.075 -10.264 0.692 1.00 45.35 C ATOM 384 O THR A 25 12.319 -9.943 1.858 1.00 23.22 O ATOM 385 CB THR A 25 13.143 -8.471 -0.692 1.00 72.40 C ATOM 386 OG1 THR A 25 12.914 -7.391 -1.609 1.00 75.30 O ATOM 387 CG2 THR A 25 14.173 -9.424 -1.285 1.00 4.50 C ATOM 0 H THR A 25 11.093 -7.265 0.034 1.00 55.05 H new ATOM 0 HA THR A 25 11.442 -9.689 -1.280 1.00 23.01 H new ATOM 0 HB THR A 25 13.533 -8.082 0.249 1.00 72.40 H new ATOM 0 HG1 THR A 25 13.758 -7.145 -2.042 1.00 75.30 H new ATOM 0 HG21 THR A 25 15.095 -8.881 -1.491 1.00 4.50 H new ATOM 0 HG22 THR A 25 14.375 -10.228 -0.577 1.00 4.50 H new ATOM 0 HG23 THR A 25 13.786 -9.846 -2.212 1.00 4.50 H new ATOM 395 N GLY A 26 12.025 -11.532 0.288 1.00 43.43 N ATOM 396 CA GLY A 26 12.268 -12.637 1.216 1.00 72.51 C ATOM 397 C GLY A 26 11.086 -12.942 2.142 1.00 2.52 C ATOM 398 O GLY A 26 11.165 -13.840 2.986 1.00 10.41 O ATOM 0 H GLY A 26 11.820 -11.820 -0.669 1.00 43.43 H new ATOM 0 HA2 GLY A 26 12.509 -13.533 0.644 1.00 72.51 H new ATOM 0 HA3 GLY A 26 13.142 -12.402 1.824 1.00 72.51 H new ATOM 402 N HIS A 27 9.991 -12.200 1.984 1.00 53.05 N ATOM 403 CA HIS A 27 8.800 -12.373 2.823 1.00 32.22 C ATOM 404 C HIS A 27 7.886 -13.487 2.285 1.00 51.15 C ATOM 405 O HIS A 27 7.193 -13.305 1.291 1.00 5.05 O ATOM 406 CB HIS A 27 8.029 -11.045 2.901 1.00 71.31 C ATOM 407 CG HIS A 27 6.674 -11.146 3.535 1.00 14.34 C ATOM 408 ND1 HIS A 27 5.500 -11.110 2.812 1.00 32.11 N ATOM 409 CD2 HIS A 27 6.308 -11.262 4.833 1.00 72.40 C ATOM 410 CE1 HIS A 27 4.475 -11.200 3.637 1.00 40.33 C ATOM 411 NE2 HIS A 27 4.934 -11.293 4.868 1.00 10.32 N ATOM 0 H HIS A 27 9.901 -11.468 1.279 1.00 53.05 H new ATOM 0 HA HIS A 27 9.125 -12.668 3.821 1.00 32.22 H new ATOM 0 HB2 HIS A 27 8.626 -10.326 3.463 1.00 71.31 H new ATOM 0 HB3 HIS A 27 7.915 -10.646 1.893 1.00 71.31 H new ATOM 0 HD1 HIS A 27 5.435 -11.027 1.798 1.00 32.11 H new ATOM 0 HD2 HIS A 27 6.972 -11.319 5.683 1.00 72.40 H new ATOM 0 HE1 HIS A 27 3.434 -11.198 3.351 1.00 40.33 H new ATOM 420 N LYS A 28 7.893 -14.641 2.947 1.00 11.03 N ATOM 421 CA LYS A 28 6.985 -15.734 2.584 1.00 21.13 C ATOM 422 C LYS A 28 5.622 -15.569 3.278 1.00 14.23 C ATOM 423 O LYS A 28 5.550 -15.222 4.461 1.00 14.53 O ATOM 424 CB LYS A 28 7.604 -17.096 2.939 1.00 50.53 C ATOM 425 CG LYS A 28 7.941 -17.267 4.419 1.00 62.23 C ATOM 426 CD LYS A 28 8.509 -18.656 4.733 1.00 70.35 C ATOM 427 CE LYS A 28 7.436 -19.751 4.743 1.00 3.33 C ATOM 428 NZ LYS A 28 6.764 -19.921 3.424 1.00 43.42 N ATOM 0 H LYS A 28 8.511 -14.846 3.732 1.00 11.03 H new ATOM 0 HA LYS A 28 6.828 -15.695 1.506 1.00 21.13 H new ATOM 0 HB2 LYS A 28 6.912 -17.885 2.642 1.00 50.53 H new ATOM 0 HB3 LYS A 28 8.513 -17.232 2.353 1.00 50.53 H new ATOM 0 HG2 LYS A 28 8.664 -16.507 4.714 1.00 62.23 H new ATOM 0 HG3 LYS A 28 7.043 -17.102 5.015 1.00 62.23 H new ATOM 0 HD2 LYS A 28 9.270 -18.907 3.994 1.00 70.35 H new ATOM 0 HD3 LYS A 28 9.003 -18.630 5.704 1.00 70.35 H new ATOM 0 HE2 LYS A 28 7.892 -20.696 5.036 1.00 3.33 H new ATOM 0 HE3 LYS A 28 6.687 -19.511 5.498 1.00 3.33 H new ATOM 0 HZ1 LYS A 28 6.522 -20.923 3.284 1.00 43.42 H new ATOM 0 HZ2 LYS A 28 5.896 -19.349 3.400 1.00 43.42 H new ATOM 0 HZ3 LYS A 28 7.404 -19.610 2.666 1.00 43.42 H new ATOM 442 N GLY A 29 4.546 -15.814 2.536 1.00 34.23 N ATOM 443 CA GLY A 29 3.200 -15.689 3.091 1.00 50.41 C ATOM 444 C GLY A 29 2.437 -14.474 2.573 1.00 51.33 C ATOM 445 O GLY A 29 2.960 -13.680 1.788 1.00 65.43 O ATOM 0 H GLY A 29 4.577 -16.098 1.557 1.00 34.23 H new ATOM 0 HA2 GLY A 29 2.634 -16.590 2.856 1.00 50.41 H new ATOM 0 HA3 GLY A 29 3.268 -15.629 4.177 1.00 50.41 H new ATOM 449 N ASN A 30 1.195 -14.321 3.027 1.00 4.40 N ATOM 450 CA ASN A 30 0.339 -13.212 2.595 1.00 62.42 C ATOM 451 C ASN A 30 -0.051 -12.320 3.788 1.00 31.12 C ATOM 452 O ASN A 30 -0.338 -12.813 4.879 1.00 32.42 O ATOM 453 CB ASN A 30 -0.919 -13.762 1.912 1.00 33.33 C ATOM 454 CG ASN A 30 -1.778 -12.667 1.300 1.00 13.32 C ATOM 455 OD1 ASN A 30 -2.613 -12.071 1.973 1.00 14.03 O ATOM 456 ND2 ASN A 30 -1.597 -12.409 0.017 1.00 22.02 N ATOM 0 H ASN A 30 0.755 -14.952 3.697 1.00 4.40 H new ATOM 0 HA ASN A 30 0.897 -12.602 1.884 1.00 62.42 H new ATOM 0 HB2 ASN A 30 -0.627 -14.467 1.134 1.00 33.33 H new ATOM 0 HB3 ASN A 30 -1.510 -14.318 2.640 1.00 33.33 H new ATOM 0 HD21 ASN A 30 -2.161 -11.695 -0.444 1.00 22.02 H new ATOM 0 HD22 ASN A 30 -0.893 -12.924 -0.512 1.00 22.02 H new ATOM 463 N GLU A 31 -0.054 -11.009 3.566 1.00 61.33 N ATOM 464 CA GLU A 31 -0.392 -10.033 4.610 1.00 61.45 C ATOM 465 C GLU A 31 -1.270 -8.911 4.037 1.00 50.52 C ATOM 466 O GLU A 31 -0.893 -8.254 3.067 1.00 10.34 O ATOM 467 CB GLU A 31 0.895 -9.440 5.212 1.00 62.14 C ATOM 468 CG GLU A 31 0.663 -8.413 6.320 1.00 14.31 C ATOM 469 CD GLU A 31 0.057 -9.019 7.580 1.00 10.03 C ATOM 470 OE1 GLU A 31 -1.185 -9.069 7.687 1.00 30.30 O ATOM 471 OE2 GLU A 31 0.827 -9.447 8.468 1.00 74.21 O ATOM 0 H GLU A 31 0.176 -10.590 2.665 1.00 61.33 H new ATOM 0 HA GLU A 31 -0.951 -10.544 5.394 1.00 61.45 H new ATOM 0 HB2 GLU A 31 1.503 -10.253 5.609 1.00 62.14 H new ATOM 0 HB3 GLU A 31 1.471 -8.971 4.414 1.00 62.14 H new ATOM 0 HG2 GLU A 31 1.612 -7.939 6.572 1.00 14.31 H new ATOM 0 HG3 GLU A 31 0.004 -7.629 5.948 1.00 14.31 H new ATOM 478 N GLN A 32 -2.439 -8.688 4.635 1.00 72.23 N ATOM 479 CA GLN A 32 -3.393 -7.690 4.125 1.00 14.34 C ATOM 480 C GLN A 32 -3.910 -6.767 5.238 1.00 70.31 C ATOM 481 O GLN A 32 -4.039 -7.178 6.394 1.00 73.23 O ATOM 482 CB GLN A 32 -4.578 -8.385 3.438 1.00 44.52 C ATOM 483 CG GLN A 32 -4.170 -9.285 2.279 1.00 44.14 C ATOM 484 CD GLN A 32 -5.354 -9.949 1.601 1.00 22.15 C ATOM 485 OE1 GLN A 32 -6.447 -9.401 1.550 1.00 3.45 O ATOM 486 NE2 GLN A 32 -5.149 -11.140 1.085 1.00 32.51 N ATOM 0 H GLN A 32 -2.753 -9.181 5.471 1.00 72.23 H new ATOM 0 HA GLN A 32 -2.859 -7.075 3.400 1.00 14.34 H new ATOM 0 HB2 GLN A 32 -5.117 -8.979 4.176 1.00 44.52 H new ATOM 0 HB3 GLN A 32 -5.270 -7.627 3.072 1.00 44.52 H new ATOM 0 HG2 GLN A 32 -3.621 -8.696 1.544 1.00 44.14 H new ATOM 0 HG3 GLN A 32 -3.489 -10.054 2.645 1.00 44.14 H new ATOM 0 HE21 GLN A 32 -4.226 -11.569 1.144 1.00 32.51 H new ATOM 0 HE22 GLN A 32 -5.913 -11.635 0.625 1.00 32.51 H new ATOM 495 N PHE A 33 -4.214 -5.521 4.873 1.00 24.45 N ATOM 496 CA PHE A 33 -4.710 -4.522 5.828 1.00 45.14 C ATOM 497 C PHE A 33 -5.548 -3.443 5.120 1.00 2.22 C ATOM 498 O PHE A 33 -5.292 -3.101 3.961 1.00 11.31 O ATOM 499 CB PHE A 33 -3.537 -3.873 6.586 1.00 40.14 C ATOM 500 CG PHE A 33 -2.492 -3.240 5.694 1.00 3.34 C ATOM 501 CD1 PHE A 33 -1.518 -4.016 5.082 1.00 34.32 C ATOM 502 CD2 PHE A 33 -2.486 -1.868 5.469 1.00 22.53 C ATOM 503 CE1 PHE A 33 -0.566 -3.442 4.263 1.00 24.41 C ATOM 504 CE2 PHE A 33 -1.530 -1.289 4.652 1.00 31.55 C ATOM 505 CZ PHE A 33 -0.571 -2.077 4.048 1.00 62.31 C ATOM 0 H PHE A 33 -4.126 -5.175 3.917 1.00 24.45 H new ATOM 0 HA PHE A 33 -5.353 -5.034 6.544 1.00 45.14 H new ATOM 0 HB2 PHE A 33 -3.932 -3.112 7.259 1.00 40.14 H new ATOM 0 HB3 PHE A 33 -3.058 -4.630 7.206 1.00 40.14 H new ATOM 0 HD1 PHE A 33 -1.504 -5.083 5.248 1.00 34.32 H new ATOM 0 HD2 PHE A 33 -3.236 -1.247 5.937 1.00 22.53 H new ATOM 0 HE1 PHE A 33 0.183 -4.060 3.790 1.00 24.41 H new ATOM 0 HE2 PHE A 33 -1.535 -0.222 4.487 1.00 31.55 H new ATOM 0 HZ PHE A 33 0.174 -1.627 3.408 1.00 62.31 H new ATOM 515 N THR A 34 -6.550 -2.912 5.820 1.00 1.24 N ATOM 516 CA THR A 34 -7.426 -1.869 5.259 1.00 51.11 C ATOM 517 C THR A 34 -7.039 -0.473 5.770 1.00 71.41 C ATOM 518 O THR A 34 -6.768 -0.287 6.955 1.00 42.24 O ATOM 519 CB THR A 34 -8.914 -2.124 5.608 1.00 11.32 C ATOM 520 OG1 THR A 34 -9.309 -3.437 5.178 1.00 61.01 O ATOM 521 CG2 THR A 34 -9.818 -1.080 4.952 1.00 70.13 C ATOM 0 H THR A 34 -6.780 -3.183 6.776 1.00 1.24 H new ATOM 0 HA THR A 34 -7.295 -1.911 4.178 1.00 51.11 H new ATOM 0 HB THR A 34 -9.021 -2.049 6.690 1.00 11.32 H new ATOM 0 HG1 THR A 34 -10.250 -3.586 5.406 1.00 61.01 H new ATOM 0 HG21 THR A 34 -10.857 -1.282 5.213 1.00 70.13 H new ATOM 0 HG22 THR A 34 -9.542 -0.086 5.305 1.00 70.13 H new ATOM 0 HG23 THR A 34 -9.701 -1.126 3.869 1.00 70.13 H new ATOM 529 N ILE A 35 -7.022 0.506 4.868 1.00 34.34 N ATOM 530 CA ILE A 35 -6.702 1.895 5.219 1.00 55.24 C ATOM 531 C ILE A 35 -7.920 2.816 5.034 1.00 64.45 C ATOM 532 O ILE A 35 -8.263 3.188 3.912 1.00 71.44 O ATOM 533 CB ILE A 35 -5.536 2.427 4.345 1.00 11.52 C ATOM 534 CG1 ILE A 35 -4.327 1.481 4.429 1.00 22.03 C ATOM 535 CG2 ILE A 35 -5.143 3.846 4.767 1.00 70.14 C ATOM 536 CD1 ILE A 35 -3.211 1.837 3.473 1.00 34.43 C ATOM 0 H ILE A 35 -7.228 0.364 3.879 1.00 34.34 H new ATOM 0 HA ILE A 35 -6.408 1.900 6.269 1.00 55.24 H new ATOM 0 HB ILE A 35 -5.874 2.464 3.309 1.00 11.52 H new ATOM 0 HG12 ILE A 35 -3.939 1.491 5.447 1.00 22.03 H new ATOM 0 HG13 ILE A 35 -4.658 0.463 4.224 1.00 22.03 H new ATOM 0 HG21 ILE A 35 -4.324 4.198 4.140 1.00 70.14 H new ATOM 0 HG22 ILE A 35 -5.999 4.510 4.652 1.00 70.14 H new ATOM 0 HG23 ILE A 35 -4.826 3.841 5.810 1.00 70.14 H new ATOM 0 HD11 ILE A 35 -2.392 1.127 3.589 1.00 34.43 H new ATOM 0 HD12 ILE A 35 -3.583 1.799 2.449 1.00 34.43 H new ATOM 0 HD13 ILE A 35 -2.852 2.843 3.691 1.00 34.43 H new ATOM 548 N LYS A 36 -8.581 3.173 6.132 1.00 4.33 N ATOM 549 CA LYS A 36 -9.739 4.072 6.078 1.00 55.34 C ATOM 550 C LYS A 36 -9.299 5.532 5.871 1.00 35.22 C ATOM 551 O LYS A 36 -8.750 6.161 6.780 1.00 70.51 O ATOM 552 CB LYS A 36 -10.579 3.944 7.359 1.00 51.35 C ATOM 553 CG LYS A 36 -11.237 2.577 7.529 1.00 11.34 C ATOM 554 CD LYS A 36 -12.026 2.486 8.836 1.00 62.41 C ATOM 555 CE LYS A 36 -12.753 1.151 8.973 1.00 31.05 C ATOM 556 NZ LYS A 36 -13.780 0.961 7.917 1.00 51.41 N ATOM 0 H LYS A 36 -8.338 2.856 7.071 1.00 4.33 H new ATOM 0 HA LYS A 36 -10.352 3.779 5.225 1.00 55.34 H new ATOM 0 HB2 LYS A 36 -9.942 4.140 8.221 1.00 51.35 H new ATOM 0 HB3 LYS A 36 -11.353 4.711 7.353 1.00 51.35 H new ATOM 0 HG2 LYS A 36 -11.904 2.387 6.688 1.00 11.34 H new ATOM 0 HG3 LYS A 36 -10.472 1.801 7.511 1.00 11.34 H new ATOM 0 HD2 LYS A 36 -11.348 2.618 9.679 1.00 62.41 H new ATOM 0 HD3 LYS A 36 -12.750 3.299 8.880 1.00 62.41 H new ATOM 0 HE2 LYS A 36 -12.029 0.338 8.924 1.00 31.05 H new ATOM 0 HE3 LYS A 36 -13.227 1.096 9.953 1.00 31.05 H new ATOM 0 HZ1 LYS A 36 -14.393 0.160 8.169 1.00 51.41 H new ATOM 0 HZ2 LYS A 36 -14.355 1.824 7.833 1.00 51.41 H new ATOM 0 HZ3 LYS A 36 -13.312 0.767 7.009 1.00 51.41 H new ATOM 570 N GLY A 37 -9.523 6.053 4.663 1.00 12.10 N ATOM 571 CA GLY A 37 -9.134 7.424 4.342 1.00 0.31 C ATOM 572 C GLY A 37 -10.215 8.451 4.659 1.00 12.43 C ATOM 573 O GLY A 37 -10.809 8.427 5.737 1.00 54.34 O ATOM 0 H GLY A 37 -9.969 5.549 3.897 1.00 12.10 H new ATOM 0 HA2 GLY A 37 -8.230 7.676 4.896 1.00 0.31 H new ATOM 0 HA3 GLY A 37 -8.886 7.485 3.282 1.00 0.31 H new ATOM 577 N LYS A 38 -10.469 9.363 3.721 1.00 54.34 N ATOM 578 CA LYS A 38 -11.482 10.404 3.914 1.00 12.20 C ATOM 579 C LYS A 38 -12.898 9.823 3.747 1.00 31.01 C ATOM 580 O LYS A 38 -13.266 9.375 2.660 1.00 32.13 O ATOM 581 CB LYS A 38 -11.264 11.556 2.920 1.00 34.33 C ATOM 582 CG LYS A 38 -9.809 12.014 2.796 1.00 45.12 C ATOM 583 CD LYS A 38 -9.196 12.470 4.130 1.00 2.03 C ATOM 584 CE LYS A 38 -9.772 13.795 4.633 1.00 14.34 C ATOM 585 NZ LYS A 38 -11.132 13.647 5.224 1.00 51.35 N ATOM 0 H LYS A 38 -9.989 9.403 2.822 1.00 54.34 H new ATOM 0 HA LYS A 38 -11.383 10.791 4.928 1.00 12.20 H new ATOM 0 HB2 LYS A 38 -11.620 11.245 1.938 1.00 34.33 H new ATOM 0 HB3 LYS A 38 -11.875 12.405 3.226 1.00 34.33 H new ATOM 0 HG2 LYS A 38 -9.212 11.197 2.391 1.00 45.12 H new ATOM 0 HG3 LYS A 38 -9.754 12.834 2.080 1.00 45.12 H new ATOM 0 HD2 LYS A 38 -9.363 11.699 4.882 1.00 2.03 H new ATOM 0 HD3 LYS A 38 -8.117 12.571 4.012 1.00 2.03 H new ATOM 0 HE2 LYS A 38 -9.100 14.217 5.380 1.00 14.34 H new ATOM 0 HE3 LYS A 38 -9.815 14.504 3.806 1.00 14.34 H new ATOM 0 HZ1 LYS A 38 -11.221 14.272 6.050 1.00 51.35 H new ATOM 0 HZ2 LYS A 38 -11.848 13.905 4.516 1.00 51.35 H new ATOM 0 HZ3 LYS A 38 -11.277 12.660 5.519 1.00 51.35 H new ATOM 599 N GLY A 39 -13.679 9.829 4.824 1.00 33.41 N ATOM 600 CA GLY A 39 -15.029 9.267 4.786 1.00 54.14 C ATOM 601 C GLY A 39 -15.042 7.741 4.696 1.00 51.43 C ATOM 602 O GLY A 39 -14.281 7.062 5.390 1.00 71.02 O ATOM 0 H GLY A 39 -13.405 10.213 5.728 1.00 33.41 H new ATOM 0 HA2 GLY A 39 -15.570 9.577 5.680 1.00 54.14 H new ATOM 0 HA3 GLY A 39 -15.564 9.680 3.931 1.00 54.14 H new ATOM 606 N ALA A 40 -15.911 7.197 3.843 1.00 3.21 N ATOM 607 CA ALA A 40 -15.983 5.746 3.616 1.00 60.51 C ATOM 608 C ALA A 40 -14.946 5.292 2.577 1.00 53.44 C ATOM 609 O ALA A 40 -14.892 4.120 2.200 1.00 74.24 O ATOM 610 CB ALA A 40 -17.390 5.351 3.175 1.00 63.13 C ATOM 0 H ALA A 40 -16.579 7.739 3.294 1.00 3.21 H new ATOM 0 HA ALA A 40 -15.754 5.244 4.556 1.00 60.51 H new ATOM 0 HB1 ALA A 40 -17.431 4.274 3.010 1.00 63.13 H new ATOM 0 HB2 ALA A 40 -18.105 5.627 3.950 1.00 63.13 H new ATOM 0 HB3 ALA A 40 -17.640 5.870 2.250 1.00 63.13 H new ATOM 616 N GLN A 41 -14.123 6.229 2.118 1.00 4.11 N ATOM 617 CA GLN A 41 -13.081 5.939 1.133 1.00 13.42 C ATOM 618 C GLN A 41 -11.913 5.150 1.752 1.00 65.35 C ATOM 619 O GLN A 41 -10.899 5.724 2.161 1.00 20.02 O ATOM 620 CB GLN A 41 -12.573 7.243 0.508 1.00 22.23 C ATOM 621 CG GLN A 41 -13.579 7.923 -0.418 1.00 24.00 C ATOM 622 CD GLN A 41 -13.094 9.271 -0.929 1.00 0.22 C ATOM 623 OE1 GLN A 41 -12.388 10.006 -0.094 1.00 50.24 O flip ATOM 624 NE2 GLN A 41 -13.381 9.665 -2.056 1.00 33.23 N flip ATOM 0 H GLN A 41 -14.157 7.205 2.414 1.00 4.11 H new ATOM 0 HA GLN A 41 -13.521 5.314 0.356 1.00 13.42 H new ATOM 0 HB2 GLN A 41 -12.304 7.935 1.306 1.00 22.23 H new ATOM 0 HB3 GLN A 41 -11.662 7.034 -0.053 1.00 22.23 H new ATOM 0 HG2 GLN A 41 -13.783 7.270 -1.267 1.00 24.00 H new ATOM 0 HG3 GLN A 41 -14.521 8.059 0.114 1.00 24.00 H new ATOM 0 HE21 GLN A 41 -13.929 9.072 -2.679 1.00 33.23 H new ATOM 0 HE22 GLN A 41 -13.071 10.585 -2.369 1.00 33.23 H new ATOM 633 N TYR A 42 -12.073 3.832 1.827 1.00 2.22 N ATOM 634 CA TYR A 42 -11.033 2.946 2.366 1.00 61.31 C ATOM 635 C TYR A 42 -10.075 2.466 1.260 1.00 54.14 C ATOM 636 O TYR A 42 -10.369 2.587 0.068 1.00 12.23 O ATOM 637 CB TYR A 42 -11.675 1.734 3.060 1.00 50.20 C ATOM 638 CG TYR A 42 -12.427 0.822 2.107 1.00 74.32 C ATOM 639 CD1 TYR A 42 -13.707 1.143 1.672 1.00 45.11 C ATOM 640 CD2 TYR A 42 -11.849 -0.355 1.633 1.00 34.34 C ATOM 641 CE1 TYR A 42 -14.387 0.326 0.793 1.00 63.32 C ATOM 642 CE2 TYR A 42 -12.528 -1.178 0.757 1.00 14.24 C ATOM 643 CZ TYR A 42 -13.796 -0.832 0.340 1.00 51.24 C ATOM 644 OH TYR A 42 -14.476 -1.642 -0.541 1.00 41.50 O ATOM 0 H TYR A 42 -12.916 3.347 1.521 1.00 2.22 H new ATOM 0 HA TYR A 42 -10.455 3.516 3.093 1.00 61.31 H new ATOM 0 HB2 TYR A 42 -10.898 1.159 3.564 1.00 50.20 H new ATOM 0 HB3 TYR A 42 -12.361 2.087 3.830 1.00 50.20 H new ATOM 0 HD1 TYR A 42 -14.177 2.048 2.028 1.00 45.11 H new ATOM 0 HD2 TYR A 42 -10.855 -0.627 1.956 1.00 34.34 H new ATOM 0 HE1 TYR A 42 -15.379 0.594 0.461 1.00 63.32 H new ATOM 0 HE2 TYR A 42 -12.069 -2.088 0.400 1.00 14.24 H new ATOM 0 HH TYR A 42 -14.738 -1.121 -1.329 1.00 41.50 H new ATOM 654 N ASN A 43 -8.936 1.913 1.666 1.00 44.01 N ATOM 655 CA ASN A 43 -7.946 1.375 0.726 1.00 24.11 C ATOM 656 C ASN A 43 -7.492 -0.024 1.185 1.00 21.20 C ATOM 657 O ASN A 43 -6.812 -0.154 2.201 1.00 15.13 O ATOM 658 CB ASN A 43 -6.740 2.330 0.650 1.00 3.42 C ATOM 659 CG ASN A 43 -5.892 2.132 -0.595 1.00 40.21 C ATOM 660 OD1 ASN A 43 -6.524 1.856 -1.715 1.00 74.43 O flip ATOM 661 ND2 ASN A 43 -4.677 2.280 -0.564 1.00 51.32 N flip ATOM 0 H ASN A 43 -8.670 1.823 2.647 1.00 44.01 H new ATOM 0 HA ASN A 43 -8.394 1.287 -0.264 1.00 24.11 H new ATOM 0 HB2 ASN A 43 -7.098 3.359 0.677 1.00 3.42 H new ATOM 0 HB3 ASN A 43 -6.116 2.187 1.532 1.00 3.42 H new ATOM 0 HD21 ASN A 43 -4.212 2.494 0.318 1.00 51.32 H new ATOM 0 HD22 ASN A 43 -4.130 2.190 -1.420 1.00 51.32 H new ATOM 668 N LEU A 44 -7.878 -1.068 0.451 1.00 43.02 N ATOM 669 CA LEU A 44 -7.558 -2.446 0.854 1.00 10.20 C ATOM 670 C LEU A 44 -6.283 -2.957 0.162 1.00 41.33 C ATOM 671 O LEU A 44 -6.294 -3.324 -1.022 1.00 4.04 O ATOM 672 CB LEU A 44 -8.750 -3.379 0.576 1.00 60.13 C ATOM 673 CG LEU A 44 -8.556 -4.853 0.985 1.00 61.34 C ATOM 674 CD1 LEU A 44 -8.119 -4.969 2.444 1.00 1.10 C ATOM 675 CD2 LEU A 44 -9.843 -5.643 0.749 1.00 34.15 C ATOM 0 H LEU A 44 -8.407 -0.992 -0.418 1.00 43.02 H new ATOM 0 HA LEU A 44 -7.365 -2.444 1.927 1.00 10.20 H new ATOM 0 HB2 LEU A 44 -9.623 -2.988 1.099 1.00 60.13 H new ATOM 0 HB3 LEU A 44 -8.974 -3.344 -0.490 1.00 60.13 H new ATOM 0 HG LEU A 44 -7.765 -5.274 0.364 1.00 61.34 H new ATOM 0 HD11 LEU A 44 -7.990 -6.020 2.703 1.00 1.10 H new ATOM 0 HD12 LEU A 44 -7.175 -4.443 2.584 1.00 1.10 H new ATOM 0 HD13 LEU A 44 -8.880 -4.527 3.088 1.00 1.10 H new ATOM 0 HD21 LEU A 44 -9.691 -6.682 1.042 1.00 34.15 H new ATOM 0 HD22 LEU A 44 -10.649 -5.212 1.344 1.00 34.15 H new ATOM 0 HD23 LEU A 44 -10.108 -5.599 -0.307 1.00 34.15 H new ATOM 687 N MET A 45 -5.192 -2.990 0.927 1.00 64.10 N ATOM 688 CA MET A 45 -3.874 -3.361 0.406 1.00 32.12 C ATOM 689 C MET A 45 -3.583 -4.858 0.605 1.00 62.22 C ATOM 690 O MET A 45 -3.925 -5.438 1.637 1.00 12.34 O ATOM 691 CB MET A 45 -2.793 -2.523 1.100 1.00 11.31 C ATOM 692 CG MET A 45 -3.039 -1.022 1.010 1.00 0.41 C ATOM 693 SD MET A 45 -3.040 -0.423 -0.689 1.00 12.14 S ATOM 694 CE MET A 45 -1.327 -0.678 -1.139 1.00 12.21 C ATOM 0 H MET A 45 -5.195 -2.762 1.921 1.00 64.10 H new ATOM 0 HA MET A 45 -3.868 -3.162 -0.666 1.00 32.12 H new ATOM 0 HB2 MET A 45 -2.738 -2.812 2.149 1.00 11.31 H new ATOM 0 HB3 MET A 45 -1.825 -2.752 0.655 1.00 11.31 H new ATOM 0 HG2 MET A 45 -3.996 -0.785 1.476 1.00 0.41 H new ATOM 0 HG3 MET A 45 -2.270 -0.497 1.577 1.00 0.41 H new ATOM 0 HE1 MET A 45 -1.024 0.079 -1.862 1.00 12.21 H new ATOM 0 HE2 MET A 45 -0.702 -0.601 -0.249 1.00 12.21 H new ATOM 0 HE3 MET A 45 -1.210 -1.668 -1.580 1.00 12.21 H new ATOM 704 N GLU A 46 -2.938 -5.471 -0.386 1.00 1.42 N ATOM 705 CA GLU A 46 -2.598 -6.898 -0.335 1.00 75.32 C ATOM 706 C GLU A 46 -1.102 -7.136 -0.601 1.00 62.20 C ATOM 707 O GLU A 46 -0.582 -6.783 -1.661 1.00 2.32 O ATOM 708 CB GLU A 46 -3.441 -7.679 -1.355 1.00 21.32 C ATOM 709 CG GLU A 46 -3.040 -9.149 -1.506 1.00 60.12 C ATOM 710 CD GLU A 46 -3.949 -9.919 -2.455 1.00 4.11 C ATOM 711 OE1 GLU A 46 -4.296 -9.383 -3.527 1.00 74.12 O ATOM 712 OE2 GLU A 46 -4.349 -11.054 -2.119 1.00 5.32 O ATOM 0 H GLU A 46 -2.637 -5.001 -1.240 1.00 1.42 H new ATOM 0 HA GLU A 46 -2.820 -7.255 0.671 1.00 75.32 H new ATOM 0 HB2 GLU A 46 -4.489 -7.628 -1.058 1.00 21.32 H new ATOM 0 HB3 GLU A 46 -3.361 -7.190 -2.326 1.00 21.32 H new ATOM 0 HG2 GLU A 46 -2.014 -9.205 -1.869 1.00 60.12 H new ATOM 0 HG3 GLU A 46 -3.058 -9.627 -0.527 1.00 60.12 H new ATOM 719 N VAL A 47 -0.418 -7.726 0.376 1.00 54.11 N ATOM 720 CA VAL A 47 0.988 -8.113 0.224 1.00 32.25 C ATOM 721 C VAL A 47 1.114 -9.635 0.053 1.00 4.15 C ATOM 722 O VAL A 47 0.936 -10.395 1.007 1.00 22.13 O ATOM 723 CB VAL A 47 1.833 -7.675 1.449 1.00 52.12 C ATOM 724 CG1 VAL A 47 3.304 -8.047 1.259 1.00 70.54 C ATOM 725 CG2 VAL A 47 1.676 -6.177 1.709 1.00 23.44 C ATOM 0 H VAL A 47 -0.815 -7.949 1.289 1.00 54.11 H new ATOM 0 HA VAL A 47 1.366 -7.608 -0.665 1.00 32.25 H new ATOM 0 HB VAL A 47 1.463 -8.210 2.324 1.00 52.12 H new ATOM 0 HG11 VAL A 47 3.875 -7.729 2.131 1.00 70.54 H new ATOM 0 HG12 VAL A 47 3.394 -9.127 1.140 1.00 70.54 H new ATOM 0 HG13 VAL A 47 3.693 -7.550 0.370 1.00 70.54 H new ATOM 0 HG21 VAL A 47 2.277 -5.893 2.572 1.00 23.44 H new ATOM 0 HG22 VAL A 47 2.010 -5.619 0.834 1.00 23.44 H new ATOM 0 HG23 VAL A 47 0.628 -5.950 1.906 1.00 23.44 H new ATOM 735 N ASP A 48 1.424 -10.078 -1.158 1.00 21.03 N ATOM 736 CA ASP A 48 1.542 -11.507 -1.455 1.00 52.20 C ATOM 737 C ASP A 48 3.007 -11.893 -1.712 1.00 30.20 C ATOM 738 O ASP A 48 3.553 -11.635 -2.781 1.00 44.34 O ATOM 739 CB ASP A 48 0.665 -11.856 -2.661 1.00 2.12 C ATOM 740 CG ASP A 48 0.674 -13.340 -2.977 1.00 41.12 C ATOM 741 OD1 ASP A 48 0.084 -14.119 -2.197 1.00 23.13 O ATOM 742 OD2 ASP A 48 1.268 -13.734 -4.007 1.00 31.25 O ATOM 0 H ASP A 48 1.600 -9.468 -1.957 1.00 21.03 H new ATOM 0 HA ASP A 48 1.198 -12.077 -0.592 1.00 52.20 H new ATOM 0 HB2 ASP A 48 -0.359 -11.536 -2.466 1.00 2.12 H new ATOM 0 HB3 ASP A 48 1.013 -11.300 -3.532 1.00 2.12 H new ATOM 747 N GLY A 49 3.649 -12.492 -0.716 1.00 1.34 N ATOM 748 CA GLY A 49 5.060 -12.836 -0.838 1.00 25.21 C ATOM 749 C GLY A 49 5.967 -11.606 -0.929 1.00 43.42 C ATOM 750 O GLY A 49 6.124 -10.873 0.048 1.00 53.32 O ATOM 0 H GLY A 49 3.222 -12.747 0.174 1.00 1.34 H new ATOM 0 HA2 GLY A 49 5.358 -13.438 0.021 1.00 25.21 H new ATOM 0 HA3 GLY A 49 5.203 -13.453 -1.725 1.00 25.21 H new ATOM 754 N GLU A 50 6.544 -11.375 -2.111 1.00 44.44 N ATOM 755 CA GLU A 50 7.483 -10.260 -2.325 1.00 55.03 C ATOM 756 C GLU A 50 6.858 -9.142 -3.183 1.00 75.13 C ATOM 757 O GLU A 50 7.567 -8.304 -3.743 1.00 34.34 O ATOM 758 CB GLU A 50 8.758 -10.786 -3.007 1.00 42.51 C ATOM 759 CG GLU A 50 9.479 -11.878 -2.217 1.00 63.23 C ATOM 760 CD GLU A 50 10.680 -12.446 -2.958 1.00 34.34 C ATOM 761 OE1 GLU A 50 10.478 -13.247 -3.899 1.00 41.32 O ATOM 762 OE2 GLU A 50 11.826 -12.090 -2.615 1.00 72.11 O ATOM 0 H GLU A 50 6.379 -11.945 -2.940 1.00 44.44 H new ATOM 0 HA GLU A 50 7.727 -9.835 -1.352 1.00 55.03 H new ATOM 0 HB2 GLU A 50 8.497 -11.176 -3.991 1.00 42.51 H new ATOM 0 HB3 GLU A 50 9.443 -9.953 -3.165 1.00 42.51 H new ATOM 0 HG2 GLU A 50 9.807 -11.472 -1.260 1.00 63.23 H new ATOM 0 HG3 GLU A 50 8.779 -12.684 -1.998 1.00 63.23 H new ATOM 769 N ARG A 51 5.528 -9.120 -3.270 1.00 73.33 N ATOM 770 CA ARG A 51 4.816 -8.143 -4.109 1.00 30.04 C ATOM 771 C ARG A 51 3.596 -7.553 -3.377 1.00 12.35 C ATOM 772 O ARG A 51 2.947 -8.235 -2.581 1.00 24.45 O ATOM 773 CB ARG A 51 4.373 -8.819 -5.417 1.00 71.04 C ATOM 774 CG ARG A 51 3.553 -10.080 -5.180 1.00 0.20 C ATOM 775 CD ARG A 51 3.189 -10.805 -6.467 1.00 22.21 C ATOM 776 NE ARG A 51 2.393 -12.001 -6.197 1.00 34.40 N ATOM 777 CZ ARG A 51 1.789 -12.710 -7.108 1.00 51.31 C ATOM 778 NH1 ARG A 51 1.860 -12.383 -8.360 1.00 73.04 N ATOM 779 NH2 ARG A 51 1.113 -13.750 -6.755 1.00 3.13 N ATOM 0 H ARG A 51 4.917 -9.767 -2.771 1.00 73.33 H new ATOM 0 HA ARG A 51 5.496 -7.321 -4.331 1.00 30.04 H new ATOM 0 HB2 ARG A 51 3.785 -8.114 -6.004 1.00 71.04 H new ATOM 0 HB3 ARG A 51 5.254 -9.069 -6.008 1.00 71.04 H new ATOM 0 HG2 ARG A 51 4.115 -10.756 -4.536 1.00 0.20 H new ATOM 0 HG3 ARG A 51 2.639 -9.817 -4.647 1.00 0.20 H new ATOM 0 HD2 ARG A 51 2.631 -10.134 -7.119 1.00 22.21 H new ATOM 0 HD3 ARG A 51 4.098 -11.084 -6.999 1.00 22.21 H new ATOM 0 HE ARG A 51 2.304 -12.302 -5.226 1.00 34.40 H new ATOM 0 HH11 ARG A 51 2.394 -11.561 -8.643 1.00 73.04 H new ATOM 0 HH12 ARG A 51 1.382 -12.947 -9.062 1.00 73.04 H new ATOM 0 HH21 ARG A 51 1.055 -14.011 -5.771 1.00 3.13 H new ATOM 0 HH22 ARG A 51 0.636 -14.312 -7.460 1.00 3.13 H new ATOM 793 N ILE A 52 3.285 -6.287 -3.655 1.00 42.41 N ATOM 794 CA ILE A 52 2.142 -5.610 -3.023 1.00 3.35 C ATOM 795 C ILE A 52 1.271 -4.870 -4.061 1.00 33.40 C ATOM 796 O ILE A 52 1.784 -4.303 -5.028 1.00 2.40 O ATOM 797 CB ILE A 52 2.625 -4.602 -1.941 1.00 53.03 C ATOM 798 CG1 ILE A 52 1.425 -3.902 -1.269 1.00 13.34 C ATOM 799 CG2 ILE A 52 3.585 -3.577 -2.550 1.00 52.35 C ATOM 800 CD1 ILE A 52 1.811 -2.943 -0.161 1.00 74.14 C ATOM 0 H ILE A 52 3.805 -5.706 -4.312 1.00 42.41 H new ATOM 0 HA ILE A 52 1.535 -6.383 -2.552 1.00 3.35 H new ATOM 0 HB ILE A 52 3.163 -5.157 -1.173 1.00 53.03 H new ATOM 0 HG12 ILE A 52 0.864 -3.357 -2.028 1.00 13.34 H new ATOM 0 HG13 ILE A 52 0.756 -4.661 -0.862 1.00 13.34 H new ATOM 0 HG21 ILE A 52 3.912 -2.881 -1.778 1.00 52.35 H new ATOM 0 HG22 ILE A 52 4.452 -4.092 -2.965 1.00 52.35 H new ATOM 0 HG23 ILE A 52 3.076 -3.028 -3.342 1.00 52.35 H new ATOM 0 HD11 ILE A 52 0.912 -2.492 0.260 1.00 74.14 H new ATOM 0 HD12 ILE A 52 2.345 -3.485 0.620 1.00 74.14 H new ATOM 0 HD13 ILE A 52 2.454 -2.161 -0.564 1.00 74.14 H new ATOM 812 N ARG A 53 -0.049 -4.893 -3.856 1.00 3.14 N ATOM 813 CA ARG A 53 -0.989 -4.182 -4.737 1.00 14.13 C ATOM 814 C ARG A 53 -2.346 -3.961 -4.050 1.00 64.53 C ATOM 815 O ARG A 53 -2.622 -4.537 -2.998 1.00 44.24 O ATOM 816 CB ARG A 53 -1.171 -4.951 -6.057 1.00 35.00 C ATOM 817 CG ARG A 53 -1.771 -6.352 -5.907 1.00 32.03 C ATOM 818 CD ARG A 53 -3.296 -6.344 -5.925 1.00 61.44 C ATOM 819 NE ARG A 53 -3.855 -7.671 -5.692 1.00 62.53 N ATOM 820 CZ ARG A 53 -4.489 -8.376 -6.588 1.00 52.23 C ATOM 821 NH1 ARG A 53 -4.604 -7.951 -7.807 1.00 20.42 N ATOM 822 NH2 ARG A 53 -4.978 -9.525 -6.264 1.00 51.34 N ATOM 0 H ARG A 53 -0.494 -5.396 -3.088 1.00 3.14 H new ATOM 0 HA ARG A 53 -0.566 -3.202 -4.956 1.00 14.13 H new ATOM 0 HB2 ARG A 53 -1.811 -4.366 -6.717 1.00 35.00 H new ATOM 0 HB3 ARG A 53 -0.201 -5.037 -6.548 1.00 35.00 H new ATOM 0 HG2 ARG A 53 -1.406 -6.988 -6.714 1.00 32.03 H new ATOM 0 HG3 ARG A 53 -1.425 -6.793 -4.972 1.00 32.03 H new ATOM 0 HD2 ARG A 53 -3.663 -5.657 -5.162 1.00 61.44 H new ATOM 0 HD3 ARG A 53 -3.645 -5.968 -6.887 1.00 61.44 H new ATOM 0 HE ARG A 53 -3.742 -8.076 -4.763 1.00 62.53 H new ATOM 0 HH11 ARG A 53 -4.196 -7.055 -8.075 1.00 20.42 H new ATOM 0 HH12 ARG A 53 -5.102 -8.512 -8.498 1.00 20.42 H new ATOM 0 HH21 ARG A 53 -4.868 -9.876 -5.313 1.00 51.34 H new ATOM 0 HH22 ARG A 53 -5.475 -10.082 -6.959 1.00 51.34 H new ATOM 836 N ILE A 54 -3.190 -3.133 -4.659 1.00 75.13 N ATOM 837 CA ILE A 54 -4.550 -2.893 -4.156 1.00 21.42 C ATOM 838 C ILE A 54 -5.556 -3.863 -4.798 1.00 73.21 C ATOM 839 O ILE A 54 -5.657 -3.936 -6.026 1.00 63.21 O ATOM 840 CB ILE A 54 -5.008 -1.444 -4.455 1.00 61.04 C ATOM 841 CG1 ILE A 54 -4.018 -0.431 -3.862 1.00 12.12 C ATOM 842 CG2 ILE A 54 -6.416 -1.203 -3.907 1.00 0.24 C ATOM 843 CD1 ILE A 54 -4.304 1.003 -4.259 1.00 24.00 C ATOM 0 H ILE A 54 -2.960 -2.612 -5.505 1.00 75.13 H new ATOM 0 HA ILE A 54 -4.522 -3.053 -3.078 1.00 21.42 H new ATOM 0 HB ILE A 54 -5.031 -1.307 -5.536 1.00 61.04 H new ATOM 0 HG12 ILE A 54 -4.039 -0.509 -2.775 1.00 12.12 H new ATOM 0 HG13 ILE A 54 -3.009 -0.693 -4.181 1.00 12.12 H new ATOM 0 HG21 ILE A 54 -6.722 -0.180 -4.126 1.00 0.24 H new ATOM 0 HG22 ILE A 54 -7.113 -1.898 -4.376 1.00 0.24 H new ATOM 0 HG23 ILE A 54 -6.418 -1.359 -2.828 1.00 0.24 H new ATOM 0 HD11 ILE A 54 -3.564 1.661 -3.803 1.00 24.00 H new ATOM 0 HD12 ILE A 54 -4.254 1.097 -5.344 1.00 24.00 H new ATOM 0 HD13 ILE A 54 -5.300 1.284 -3.916 1.00 24.00 H new ATOM 855 N LYS A 55 -6.298 -4.605 -3.971 1.00 44.14 N ATOM 856 CA LYS A 55 -7.330 -5.524 -4.487 1.00 65.20 C ATOM 857 C LYS A 55 -8.718 -4.860 -4.499 1.00 43.31 C ATOM 858 O LYS A 55 -9.542 -5.133 -5.374 1.00 0.12 O ATOM 859 CB LYS A 55 -7.381 -6.829 -3.669 1.00 33.43 C ATOM 860 CG LYS A 55 -7.703 -6.633 -2.190 1.00 21.32 C ATOM 861 CD LYS A 55 -8.179 -7.929 -1.514 1.00 13.01 C ATOM 862 CE LYS A 55 -7.105 -9.017 -1.461 1.00 11.13 C ATOM 863 NZ LYS A 55 -6.908 -9.705 -2.767 1.00 65.21 N ATOM 0 H LYS A 55 -6.210 -4.592 -2.955 1.00 44.14 H new ATOM 0 HA LYS A 55 -7.053 -5.768 -5.513 1.00 65.20 H new ATOM 0 HB2 LYS A 55 -8.130 -7.489 -4.107 1.00 33.43 H new ATOM 0 HB3 LYS A 55 -6.420 -7.336 -3.755 1.00 33.43 H new ATOM 0 HG2 LYS A 55 -6.817 -6.263 -1.675 1.00 21.32 H new ATOM 0 HG3 LYS A 55 -8.474 -5.869 -2.087 1.00 21.32 H new ATOM 0 HD2 LYS A 55 -8.506 -7.702 -0.499 1.00 13.01 H new ATOM 0 HD3 LYS A 55 -9.047 -8.312 -2.050 1.00 13.01 H new ATOM 0 HE2 LYS A 55 -6.161 -8.573 -1.145 1.00 11.13 H new ATOM 0 HE3 LYS A 55 -7.379 -9.754 -0.706 1.00 11.13 H new ATOM 0 HZ1 LYS A 55 -6.786 -10.725 -2.607 1.00 65.21 H new ATOM 0 HZ2 LYS A 55 -7.739 -9.546 -3.372 1.00 65.21 H new ATOM 0 HZ3 LYS A 55 -6.061 -9.325 -3.235 1.00 65.21 H new ATOM 877 N GLU A 56 -8.969 -3.983 -3.527 1.00 30.45 N ATOM 878 CA GLU A 56 -10.257 -3.281 -3.417 1.00 2.30 C ATOM 879 C GLU A 56 -10.051 -1.839 -2.927 1.00 52.24 C ATOM 880 O GLU A 56 -9.241 -1.587 -2.033 1.00 24.01 O ATOM 881 CB GLU A 56 -11.192 -4.040 -2.463 1.00 42.33 C ATOM 882 CG GLU A 56 -12.596 -3.449 -2.355 1.00 12.13 C ATOM 883 CD GLU A 56 -13.369 -3.498 -3.667 1.00 13.15 C ATOM 884 OE1 GLU A 56 -13.890 -4.581 -4.016 1.00 21.15 O ATOM 885 OE2 GLU A 56 -13.459 -2.454 -4.353 1.00 72.43 O ATOM 0 H GLU A 56 -8.297 -3.738 -2.800 1.00 30.45 H new ATOM 0 HA GLU A 56 -10.715 -3.243 -4.405 1.00 2.30 H new ATOM 0 HB2 GLU A 56 -11.271 -5.074 -2.797 1.00 42.33 H new ATOM 0 HB3 GLU A 56 -10.741 -4.059 -1.471 1.00 42.33 H new ATOM 0 HG2 GLU A 56 -13.154 -3.991 -1.591 1.00 12.13 H new ATOM 0 HG3 GLU A 56 -12.523 -2.414 -2.022 1.00 12.13 H new ATOM 892 N ASP A 57 -10.804 -0.901 -3.500 1.00 13.03 N ATOM 893 CA ASP A 57 -10.605 0.526 -3.222 1.00 72.30 C ATOM 894 C ASP A 57 -11.764 1.386 -3.759 1.00 12.03 C ATOM 895 O ASP A 57 -12.338 1.093 -4.811 1.00 74.01 O ATOM 896 CB ASP A 57 -9.278 0.981 -3.839 1.00 41.12 C ATOM 897 CG ASP A 57 -9.103 2.484 -3.827 1.00 50.11 C ATOM 898 OD1 ASP A 57 -8.692 3.031 -2.787 1.00 10.00 O ATOM 899 OD2 ASP A 57 -9.401 3.123 -4.853 1.00 61.21 O ATOM 0 H ASP A 57 -11.557 -1.100 -4.159 1.00 13.03 H new ATOM 0 HA ASP A 57 -10.579 0.661 -2.141 1.00 72.30 H new ATOM 0 HB2 ASP A 57 -8.454 0.521 -3.294 1.00 41.12 H new ATOM 0 HB3 ASP A 57 -9.220 0.623 -4.867 1.00 41.12 H new ATOM 904 N ASN A 58 -12.083 2.461 -3.033 1.00 41.35 N ATOM 905 CA ASN A 58 -13.179 3.368 -3.411 1.00 21.23 C ATOM 906 C ASN A 58 -12.655 4.738 -3.889 1.00 15.41 C ATOM 907 O ASN A 58 -13.077 5.785 -3.393 1.00 31.45 O ATOM 908 CB ASN A 58 -14.140 3.559 -2.228 1.00 53.30 C ATOM 909 CG ASN A 58 -14.955 2.315 -1.924 1.00 33.12 C ATOM 910 OD1 ASN A 58 -14.533 1.193 -2.185 1.00 70.23 O ATOM 911 ND2 ASN A 58 -16.133 2.503 -1.365 1.00 44.54 N ATOM 0 H ASN A 58 -11.598 2.728 -2.176 1.00 41.35 H new ATOM 0 HA ASN A 58 -13.711 2.908 -4.244 1.00 21.23 H new ATOM 0 HB2 ASN A 58 -13.568 3.838 -1.343 1.00 53.30 H new ATOM 0 HB3 ASN A 58 -14.816 4.386 -2.445 1.00 53.30 H new ATOM 0 HD21 ASN A 58 -16.723 1.703 -1.137 1.00 44.54 H new ATOM 0 HD22 ASN A 58 -16.455 3.449 -1.160 1.00 44.54 H new ATOM 918 N SER A 59 -11.713 4.731 -4.828 1.00 43.10 N ATOM 919 CA SER A 59 -11.256 5.970 -5.479 1.00 34.24 C ATOM 920 C SER A 59 -11.787 6.040 -6.915 1.00 72.40 C ATOM 921 O SER A 59 -11.494 5.158 -7.717 1.00 42.00 O ATOM 922 CB SER A 59 -9.722 6.047 -5.509 1.00 62.10 C ATOM 923 OG SER A 59 -9.169 5.933 -4.207 1.00 41.43 O ATOM 0 H SER A 59 -11.248 3.886 -5.160 1.00 43.10 H new ATOM 0 HA SER A 59 -11.641 6.810 -4.900 1.00 34.24 H new ATOM 0 HB2 SER A 59 -9.329 5.252 -6.143 1.00 62.10 H new ATOM 0 HB3 SER A 59 -9.413 6.992 -5.955 1.00 62.10 H new ATOM 0 HG SER A 59 -9.850 6.163 -3.541 1.00 41.43 H new ATOM 929 N PRO A 60 -12.549 7.094 -7.274 1.00 40.23 N ATOM 930 CA PRO A 60 -13.155 7.214 -8.619 1.00 51.11 C ATOM 931 C PRO A 60 -12.113 7.114 -9.748 1.00 64.50 C ATOM 932 O PRO A 60 -12.407 6.640 -10.848 1.00 61.24 O ATOM 933 CB PRO A 60 -13.812 8.609 -8.596 1.00 71.13 C ATOM 934 CG PRO A 60 -13.181 9.320 -7.442 1.00 21.12 C ATOM 935 CD PRO A 60 -12.864 8.256 -6.428 1.00 5.13 C ATOM 0 HA PRO A 60 -13.858 6.406 -8.822 1.00 51.11 H new ATOM 0 HB2 PRO A 60 -13.637 9.142 -9.530 1.00 71.13 H new ATOM 0 HB3 PRO A 60 -14.892 8.534 -8.469 1.00 71.13 H new ATOM 0 HG2 PRO A 60 -12.278 9.845 -7.753 1.00 21.12 H new ATOM 0 HG3 PRO A 60 -13.857 10.067 -7.026 1.00 21.12 H new ATOM 0 HD2 PRO A 60 -12.023 8.537 -5.795 1.00 5.13 H new ATOM 0 HD3 PRO A 60 -13.709 8.060 -5.768 1.00 5.13 H new ATOM 943 N ASP A 61 -10.898 7.567 -9.453 1.00 75.51 N ATOM 944 CA ASP A 61 -9.788 7.524 -10.405 1.00 14.51 C ATOM 945 C ASP A 61 -9.261 6.087 -10.603 1.00 5.54 C ATOM 946 O ASP A 61 -8.860 5.708 -11.704 1.00 12.43 O ATOM 947 CB ASP A 61 -8.660 8.428 -9.897 1.00 72.34 C ATOM 948 CG ASP A 61 -9.186 9.762 -9.392 1.00 4.21 C ATOM 949 OD1 ASP A 61 -9.618 9.824 -8.219 1.00 14.01 O ATOM 950 OD2 ASP A 61 -9.182 10.744 -10.161 1.00 10.12 O ATOM 0 H ASP A 61 -10.654 7.974 -8.550 1.00 75.51 H new ATOM 0 HA ASP A 61 -10.149 7.877 -11.371 1.00 14.51 H new ATOM 0 HB2 ASP A 61 -8.123 7.922 -9.094 1.00 72.34 H new ATOM 0 HB3 ASP A 61 -7.944 8.601 -10.700 1.00 72.34 H new ATOM 955 N GLN A 62 -9.253 5.304 -9.516 1.00 51.34 N ATOM 956 CA GLN A 62 -8.778 3.904 -9.535 1.00 4.11 C ATOM 957 C GLN A 62 -7.309 3.771 -9.986 1.00 73.31 C ATOM 958 O GLN A 62 -6.859 2.674 -10.321 1.00 45.44 O ATOM 959 CB GLN A 62 -9.688 3.036 -10.426 1.00 35.35 C ATOM 960 CG GLN A 62 -11.071 2.768 -9.830 1.00 62.35 C ATOM 961 CD GLN A 62 -11.021 1.876 -8.594 1.00 73.03 C ATOM 962 OE1 GLN A 62 -11.100 0.656 -8.691 1.00 42.31 O ATOM 963 NE2 GLN A 62 -10.893 2.472 -7.427 1.00 1.33 N ATOM 0 H GLN A 62 -9.573 5.617 -8.599 1.00 51.34 H new ATOM 0 HA GLN A 62 -8.827 3.547 -8.506 1.00 4.11 H new ATOM 0 HB2 GLN A 62 -9.809 3.527 -11.392 1.00 35.35 H new ATOM 0 HB3 GLN A 62 -9.193 2.083 -10.613 1.00 35.35 H new ATOM 0 HG2 GLN A 62 -11.539 3.717 -9.568 1.00 62.35 H new ATOM 0 HG3 GLN A 62 -11.702 2.299 -10.585 1.00 62.35 H new ATOM 0 HE21 GLN A 62 -10.830 3.489 -7.378 1.00 1.33 H new ATOM 0 HE22 GLN A 62 -10.857 1.917 -6.572 1.00 1.33 H new ATOM 972 N VAL A 63 -6.556 4.874 -9.967 1.00 34.31 N ATOM 973 CA VAL A 63 -5.145 4.863 -10.390 1.00 20.24 C ATOM 974 C VAL A 63 -4.314 3.819 -9.612 1.00 14.51 C ATOM 975 O VAL A 63 -3.618 2.996 -10.209 1.00 54.23 O ATOM 976 CB VAL A 63 -4.494 6.261 -10.219 1.00 24.20 C ATOM 977 CG1 VAL A 63 -3.026 6.241 -10.654 1.00 40.15 C ATOM 978 CG2 VAL A 63 -5.273 7.318 -11.004 1.00 72.03 C ATOM 0 H VAL A 63 -6.895 5.787 -9.664 1.00 34.31 H new ATOM 0 HA VAL A 63 -5.145 4.591 -11.445 1.00 20.24 H new ATOM 0 HB VAL A 63 -4.529 6.521 -9.161 1.00 24.20 H new ATOM 0 HG11 VAL A 63 -2.594 7.233 -10.524 1.00 40.15 H new ATOM 0 HG12 VAL A 63 -2.476 5.523 -10.045 1.00 40.15 H new ATOM 0 HG13 VAL A 63 -2.961 5.952 -11.703 1.00 40.15 H new ATOM 0 HG21 VAL A 63 -4.801 8.291 -10.871 1.00 72.03 H new ATOM 0 HG22 VAL A 63 -5.275 7.057 -12.062 1.00 72.03 H new ATOM 0 HG23 VAL A 63 -6.299 7.360 -10.639 1.00 72.03 H new ATOM 988 N GLY A 64 -4.398 3.862 -8.281 1.00 22.31 N ATOM 989 CA GLY A 64 -3.668 2.910 -7.444 1.00 21.34 C ATOM 990 C GLY A 64 -3.998 1.451 -7.760 1.00 32.13 C ATOM 991 O GLY A 64 -3.115 0.591 -7.750 1.00 15.55 O ATOM 0 H GLY A 64 -4.959 4.539 -7.764 1.00 22.31 H new ATOM 0 HA2 GLY A 64 -2.597 3.069 -7.573 1.00 21.34 H new ATOM 0 HA3 GLY A 64 -3.896 3.108 -6.397 1.00 21.34 H new ATOM 995 N VAL A 65 -5.269 1.174 -8.046 1.00 12.05 N ATOM 996 CA VAL A 65 -5.715 -0.183 -8.384 1.00 24.44 C ATOM 997 C VAL A 65 -5.135 -0.642 -9.733 1.00 21.20 C ATOM 998 O VAL A 65 -4.666 -1.773 -9.870 1.00 55.30 O ATOM 999 CB VAL A 65 -7.263 -0.267 -8.442 1.00 13.24 C ATOM 1000 CG1 VAL A 65 -7.733 -1.701 -8.688 1.00 21.14 C ATOM 1001 CG2 VAL A 65 -7.878 0.293 -7.161 1.00 74.42 C ATOM 0 H VAL A 65 -6.013 1.872 -8.051 1.00 12.05 H new ATOM 0 HA VAL A 65 -5.350 -0.842 -7.596 1.00 24.44 H new ATOM 0 HB VAL A 65 -7.601 0.340 -9.282 1.00 13.24 H new ATOM 0 HG11 VAL A 65 -8.822 -1.726 -8.723 1.00 21.14 H new ATOM 0 HG12 VAL A 65 -7.331 -2.058 -9.636 1.00 21.14 H new ATOM 0 HG13 VAL A 65 -7.381 -2.343 -7.880 1.00 21.14 H new ATOM 0 HG21 VAL A 65 -8.964 0.226 -7.219 1.00 74.42 H new ATOM 0 HG22 VAL A 65 -7.524 -0.283 -6.306 1.00 74.42 H new ATOM 0 HG23 VAL A 65 -7.585 1.336 -7.042 1.00 74.42 H new ATOM 1011 N LYS A 66 -5.165 0.254 -10.717 1.00 21.11 N ATOM 1012 CA LYS A 66 -4.655 -0.037 -12.065 1.00 34.21 C ATOM 1013 C LYS A 66 -3.138 -0.303 -12.066 1.00 74.33 C ATOM 1014 O LYS A 66 -2.624 -0.995 -12.945 1.00 42.54 O ATOM 1015 CB LYS A 66 -4.988 1.124 -13.011 1.00 44.34 C ATOM 1016 CG LYS A 66 -6.488 1.354 -13.189 1.00 1.34 C ATOM 1017 CD LYS A 66 -6.786 2.536 -14.111 1.00 20.10 C ATOM 1018 CE LYS A 66 -8.286 2.768 -14.264 1.00 23.44 C ATOM 1019 NZ LYS A 66 -8.988 1.591 -14.851 1.00 73.13 N ATOM 0 H LYS A 66 -5.539 1.197 -10.609 1.00 21.11 H new ATOM 0 HA LYS A 66 -5.145 -0.946 -12.413 1.00 34.21 H new ATOM 0 HB2 LYS A 66 -4.531 2.037 -12.628 1.00 44.34 H new ATOM 0 HB3 LYS A 66 -4.540 0.928 -13.985 1.00 44.34 H new ATOM 0 HG2 LYS A 66 -6.946 0.453 -13.597 1.00 1.34 H new ATOM 0 HG3 LYS A 66 -6.945 1.531 -12.215 1.00 1.34 H new ATOM 0 HD2 LYS A 66 -6.317 3.436 -13.712 1.00 20.10 H new ATOM 0 HD3 LYS A 66 -6.344 2.354 -15.091 1.00 20.10 H new ATOM 0 HE2 LYS A 66 -8.717 2.995 -13.289 1.00 23.44 H new ATOM 0 HE3 LYS A 66 -8.453 3.640 -14.897 1.00 23.44 H new ATOM 0 HZ1 LYS A 66 -9.960 1.859 -15.107 1.00 73.13 H new ATOM 0 HZ2 LYS A 66 -8.481 1.273 -15.702 1.00 73.13 H new ATOM 0 HZ3 LYS A 66 -9.014 0.819 -14.154 1.00 73.13 H new ATOM 1033 N MET A 67 -2.429 0.278 -11.094 1.00 21.12 N ATOM 1034 CA MET A 67 -0.974 0.083 -10.952 1.00 15.12 C ATOM 1035 C MET A 67 -0.575 -1.405 -10.972 1.00 73.54 C ATOM 1036 O MET A 67 0.485 -1.764 -11.485 1.00 70.12 O ATOM 1037 CB MET A 67 -0.478 0.731 -9.648 1.00 43.42 C ATOM 1038 CG MET A 67 -0.448 2.259 -9.659 1.00 12.40 C ATOM 1039 SD MET A 67 0.961 2.934 -10.569 1.00 14.21 S ATOM 1040 CE MET A 67 0.402 2.831 -12.272 1.00 2.33 C ATOM 0 H MET A 67 -2.837 0.891 -10.388 1.00 21.12 H new ATOM 0 HA MET A 67 -0.503 0.562 -11.810 1.00 15.12 H new ATOM 0 HB2 MET A 67 -1.117 0.401 -8.829 1.00 43.42 H new ATOM 0 HB3 MET A 67 0.526 0.364 -9.436 1.00 43.42 H new ATOM 0 HG2 MET A 67 -1.371 2.631 -10.102 1.00 12.40 H new ATOM 0 HG3 MET A 67 -0.418 2.623 -8.632 1.00 12.40 H new ATOM 0 HE1 MET A 67 0.696 3.734 -12.807 1.00 2.33 H new ATOM 0 HE2 MET A 67 0.854 1.963 -12.751 1.00 2.33 H new ATOM 0 HE3 MET A 67 -0.683 2.734 -12.293 1.00 2.33 H new ATOM 1050 N GLY A 68 -1.422 -2.260 -10.405 1.00 65.10 N ATOM 1051 CA GLY A 68 -1.148 -3.695 -10.387 1.00 70.11 C ATOM 1052 C GLY A 68 -0.092 -4.104 -9.361 1.00 61.24 C ATOM 1053 O GLY A 68 0.183 -3.370 -8.408 1.00 73.02 O ATOM 0 H GLY A 68 -2.296 -1.988 -9.956 1.00 65.10 H new ATOM 0 HA2 GLY A 68 -2.074 -4.230 -10.176 1.00 70.11 H new ATOM 0 HA3 GLY A 68 -0.819 -4.006 -11.378 1.00 70.11 H new ATOM 1057 N TRP A 69 0.502 -5.281 -9.560 1.00 24.51 N ATOM 1058 CA TRP A 69 1.508 -5.821 -8.632 1.00 33.14 C ATOM 1059 C TRP A 69 2.835 -5.039 -8.701 1.00 40.22 C ATOM 1060 O TRP A 69 3.524 -5.054 -9.723 1.00 33.31 O ATOM 1061 CB TRP A 69 1.781 -7.305 -8.933 1.00 53.12 C ATOM 1062 CG TRP A 69 0.578 -8.199 -8.801 1.00 52.23 C ATOM 1063 CD1 TRP A 69 -0.265 -8.596 -9.800 1.00 32.34 C ATOM 1064 CD2 TRP A 69 0.097 -8.820 -7.600 1.00 4.53 C ATOM 1065 NE1 TRP A 69 -1.241 -9.417 -9.295 1.00 12.22 N ATOM 1066 CE2 TRP A 69 -1.040 -9.572 -7.949 1.00 50.52 C ATOM 1067 CE3 TRP A 69 0.515 -8.811 -6.267 1.00 32.40 C ATOM 1068 CZ2 TRP A 69 -1.762 -10.308 -7.013 1.00 21.12 C ATOM 1069 CZ3 TRP A 69 -0.202 -9.543 -5.338 1.00 45.12 C ATOM 1070 CH2 TRP A 69 -1.329 -10.284 -5.714 1.00 32.21 C ATOM 0 H TRP A 69 0.306 -5.885 -10.358 1.00 24.51 H new ATOM 0 HA TRP A 69 1.099 -5.717 -7.627 1.00 33.14 H new ATOM 0 HB2 TRP A 69 2.173 -7.391 -9.947 1.00 53.12 H new ATOM 0 HB3 TRP A 69 2.559 -7.662 -8.259 1.00 53.12 H new ATOM 0 HD1 TRP A 69 -0.176 -8.306 -10.836 1.00 32.34 H new ATOM 0 HE1 TRP A 69 -1.994 -9.843 -9.835 1.00 12.22 H new ATOM 0 HE3 TRP A 69 1.383 -8.242 -5.967 1.00 32.40 H new ATOM 0 HZ2 TRP A 69 -2.633 -10.878 -7.301 1.00 21.12 H new ATOM 0 HZ3 TRP A 69 0.113 -9.543 -4.305 1.00 45.12 H new ATOM 0 HH2 TRP A 69 -1.867 -10.847 -4.966 1.00 32.21 H new ATOM 1081 N LYS A 70 3.190 -4.366 -7.608 1.00 61.42 N ATOM 1082 CA LYS A 70 4.480 -3.667 -7.504 1.00 15.31 C ATOM 1083 C LYS A 70 5.444 -4.441 -6.584 1.00 73.11 C ATOM 1084 O LYS A 70 5.007 -5.133 -5.661 1.00 73.35 O ATOM 1085 CB LYS A 70 4.266 -2.241 -6.967 1.00 3.10 C ATOM 1086 CG LYS A 70 3.382 -1.365 -7.858 1.00 25.13 C ATOM 1087 CD LYS A 70 3.959 -1.209 -9.265 1.00 22.23 C ATOM 1088 CE LYS A 70 3.086 -0.321 -10.148 1.00 53.33 C ATOM 1089 NZ LYS A 70 3.012 1.076 -9.635 1.00 1.11 N ATOM 0 H LYS A 70 2.604 -4.287 -6.777 1.00 61.42 H new ATOM 0 HA LYS A 70 4.924 -3.609 -8.498 1.00 15.31 H new ATOM 0 HB2 LYS A 70 3.818 -2.301 -5.975 1.00 3.10 H new ATOM 0 HB3 LYS A 70 5.236 -1.759 -6.850 1.00 3.10 H new ATOM 0 HG2 LYS A 70 2.386 -1.803 -7.922 1.00 25.13 H new ATOM 0 HG3 LYS A 70 3.270 -0.382 -7.402 1.00 25.13 H new ATOM 0 HD2 LYS A 70 4.960 -0.783 -9.201 1.00 22.23 H new ATOM 0 HD3 LYS A 70 4.059 -2.191 -9.726 1.00 22.23 H new ATOM 0 HE2 LYS A 70 3.485 -0.314 -11.162 1.00 53.33 H new ATOM 0 HE3 LYS A 70 2.081 -0.741 -10.204 1.00 53.33 H new ATOM 0 HZ1 LYS A 70 2.294 1.605 -10.170 1.00 1.11 H new ATOM 0 HZ2 LYS A 70 2.753 1.063 -8.628 1.00 1.11 H new ATOM 0 HZ3 LYS A 70 3.937 1.537 -9.748 1.00 1.11 H new ATOM 1103 N SER A 71 6.754 -4.326 -6.831 1.00 70.44 N ATOM 1104 CA SER A 71 7.750 -5.074 -6.032 1.00 15.14 C ATOM 1105 C SER A 71 9.162 -4.467 -6.103 1.00 64.12 C ATOM 1106 O SER A 71 9.958 -4.642 -5.184 1.00 41.32 O ATOM 1107 CB SER A 71 7.819 -6.537 -6.493 1.00 41.32 C ATOM 1108 OG SER A 71 8.346 -6.642 -7.810 1.00 31.24 O ATOM 0 H SER A 71 7.151 -3.736 -7.562 1.00 70.44 H new ATOM 0 HA SER A 71 7.412 -5.012 -4.998 1.00 15.14 H new ATOM 0 HB2 SER A 71 8.441 -7.108 -5.804 1.00 41.32 H new ATOM 0 HB3 SER A 71 6.822 -6.977 -6.462 1.00 41.32 H new ATOM 0 HG SER A 71 8.379 -7.585 -8.075 1.00 31.24 H new ATOM 1114 N LYS A 72 9.481 -3.772 -7.193 1.00 33.20 N ATOM 1115 CA LYS A 72 10.838 -3.241 -7.391 1.00 35.23 C ATOM 1116 C LYS A 72 11.057 -1.914 -6.651 1.00 42.02 C ATOM 1117 O LYS A 72 10.112 -1.168 -6.380 1.00 62.11 O ATOM 1118 CB LYS A 72 11.108 -3.036 -8.885 1.00 11.20 C ATOM 1119 CG LYS A 72 10.882 -4.286 -9.728 1.00 64.23 C ATOM 1120 CD LYS A 72 11.117 -4.021 -11.212 1.00 43.11 C ATOM 1121 CE LYS A 72 10.276 -2.855 -11.725 1.00 74.45 C ATOM 1122 NZ LYS A 72 8.818 -3.077 -11.526 1.00 11.22 N ATOM 0 H LYS A 72 8.829 -3.562 -7.949 1.00 33.20 H new ATOM 0 HA LYS A 72 11.532 -3.973 -6.979 1.00 35.23 H new ATOM 0 HB2 LYS A 72 10.464 -2.238 -9.255 1.00 11.20 H new ATOM 0 HB3 LYS A 72 12.137 -2.702 -9.016 1.00 11.20 H new ATOM 0 HG2 LYS A 72 11.551 -5.078 -9.390 1.00 64.23 H new ATOM 0 HG3 LYS A 72 9.863 -4.645 -9.580 1.00 64.23 H new ATOM 0 HD2 LYS A 72 12.173 -3.808 -11.379 1.00 43.11 H new ATOM 0 HD3 LYS A 72 10.879 -4.919 -11.783 1.00 43.11 H new ATOM 0 HE2 LYS A 72 10.575 -1.941 -11.212 1.00 74.45 H new ATOM 0 HE3 LYS A 72 10.477 -2.705 -12.786 1.00 74.45 H new ATOM 0 HZ1 LYS A 72 8.283 -2.346 -12.037 1.00 11.22 H new ATOM 0 HZ2 LYS A 72 8.557 -4.015 -11.890 1.00 11.22 H new ATOM 0 HZ3 LYS A 72 8.594 -3.025 -10.512 1.00 11.22 H new ATOM 1136 N ALA A 73 12.319 -1.612 -6.350 1.00 31.43 N ATOM 1137 CA ALA A 73 12.678 -0.359 -5.686 1.00 51.31 C ATOM 1138 C ALA A 73 12.400 0.840 -6.604 1.00 54.44 C ATOM 1139 O ALA A 73 13.070 1.029 -7.624 1.00 32.01 O ATOM 1140 CB ALA A 73 14.144 -0.382 -5.259 1.00 45.52 C ATOM 0 H ALA A 73 13.112 -2.219 -6.556 1.00 31.43 H new ATOM 0 HA ALA A 73 12.061 -0.254 -4.793 1.00 51.31 H new ATOM 0 HB1 ALA A 73 14.394 0.558 -4.767 1.00 45.52 H new ATOM 0 HB2 ALA A 73 14.309 -1.209 -4.568 1.00 45.52 H new ATOM 0 HB3 ALA A 73 14.777 -0.511 -6.137 1.00 45.52 H new ATOM 1146 N GLY A 74 11.402 1.638 -6.244 1.00 44.22 N ATOM 1147 CA GLY A 74 10.971 2.749 -7.084 1.00 24.31 C ATOM 1148 C GLY A 74 9.500 2.635 -7.471 1.00 14.20 C ATOM 1149 O GLY A 74 8.852 3.634 -7.790 1.00 63.14 O ATOM 0 H GLY A 74 10.876 1.537 -5.376 1.00 44.22 H new ATOM 0 HA2 GLY A 74 11.135 3.688 -6.556 1.00 24.31 H new ATOM 0 HA3 GLY A 74 11.582 2.780 -7.986 1.00 24.31 H new ATOM 1153 N ASP A 75 8.974 1.407 -7.448 1.00 40.53 N ATOM 1154 CA ASP A 75 7.555 1.165 -7.729 1.00 54.31 C ATOM 1155 C ASP A 75 6.667 1.804 -6.646 1.00 34.30 C ATOM 1156 O ASP A 75 6.889 1.608 -5.449 1.00 34.41 O ATOM 1157 CB ASP A 75 7.272 -0.344 -7.824 1.00 42.10 C ATOM 1158 CG ASP A 75 7.928 -1.016 -9.024 1.00 74.31 C ATOM 1159 OD1 ASP A 75 8.523 -0.317 -9.875 1.00 43.32 O ATOM 1160 OD2 ASP A 75 7.833 -2.259 -9.128 1.00 42.24 O ATOM 0 H ASP A 75 9.509 0.565 -7.238 1.00 40.53 H new ATOM 0 HA ASP A 75 7.317 1.626 -8.688 1.00 54.31 H new ATOM 0 HB2 ASP A 75 7.621 -0.828 -6.912 1.00 42.10 H new ATOM 0 HB3 ASP A 75 6.194 -0.500 -7.876 1.00 42.10 H new ATOM 1165 N THR A 76 5.673 2.580 -7.067 1.00 32.25 N ATOM 1166 CA THR A 76 4.802 3.302 -6.127 1.00 34.22 C ATOM 1167 C THR A 76 3.305 3.073 -6.397 1.00 54.51 C ATOM 1168 O THR A 76 2.905 2.579 -7.458 1.00 43.21 O ATOM 1169 CB THR A 76 5.087 4.826 -6.154 1.00 3.03 C ATOM 1170 OG1 THR A 76 4.988 5.323 -7.499 1.00 11.43 O ATOM 1171 CG2 THR A 76 6.471 5.145 -5.591 1.00 45.14 C ATOM 0 H THR A 76 5.446 2.729 -8.050 1.00 32.25 H new ATOM 0 HA THR A 76 5.035 2.896 -5.143 1.00 34.22 H new ATOM 0 HB THR A 76 4.342 5.315 -5.527 1.00 3.03 H new ATOM 0 HG1 THR A 76 5.168 6.286 -7.506 1.00 11.43 H new ATOM 0 HG21 THR A 76 6.638 6.222 -5.625 1.00 45.14 H new ATOM 0 HG22 THR A 76 6.532 4.800 -4.559 1.00 45.14 H new ATOM 0 HG23 THR A 76 7.231 4.641 -6.187 1.00 45.14 H new ATOM 1179 N ILE A 77 2.492 3.426 -5.403 1.00 20.35 N ATOM 1180 CA ILE A 77 1.028 3.369 -5.483 1.00 62.54 C ATOM 1181 C ILE A 77 0.430 4.730 -5.068 1.00 10.11 C ATOM 1182 O ILE A 77 0.733 5.235 -3.985 1.00 42.42 O ATOM 1183 CB ILE A 77 0.457 2.266 -4.551 1.00 44.24 C ATOM 1184 CG1 ILE A 77 1.017 0.878 -4.922 1.00 73.10 C ATOM 1185 CG2 ILE A 77 -1.068 2.258 -4.594 1.00 13.21 C ATOM 1186 CD1 ILE A 77 0.593 0.381 -6.289 1.00 15.33 C ATOM 0 H ILE A 77 2.834 3.765 -4.504 1.00 20.35 H new ATOM 0 HA ILE A 77 0.758 3.135 -6.513 1.00 62.54 H new ATOM 0 HB ILE A 77 0.772 2.495 -3.533 1.00 44.24 H new ATOM 0 HG12 ILE A 77 2.106 0.916 -4.883 1.00 73.10 H new ATOM 0 HG13 ILE A 77 0.696 0.157 -4.170 1.00 73.10 H new ATOM 0 HG21 ILE A 77 -1.447 1.478 -3.934 1.00 13.21 H new ATOM 0 HG22 ILE A 77 -1.446 3.226 -4.266 1.00 13.21 H new ATOM 0 HG23 ILE A 77 -1.402 2.065 -5.613 1.00 13.21 H new ATOM 0 HD11 ILE A 77 1.030 -0.601 -6.471 1.00 15.33 H new ATOM 0 HD12 ILE A 77 -0.494 0.307 -6.328 1.00 15.33 H new ATOM 0 HD13 ILE A 77 0.937 1.078 -7.053 1.00 15.33 H new ATOM 1198 N VAL A 78 -0.406 5.322 -5.925 1.00 1.23 N ATOM 1199 CA VAL A 78 -0.962 6.661 -5.660 1.00 45.32 C ATOM 1200 C VAL A 78 -2.498 6.640 -5.523 1.00 3.53 C ATOM 1201 O VAL A 78 -3.214 6.300 -6.468 1.00 10.43 O ATOM 1202 CB VAL A 78 -0.570 7.660 -6.781 1.00 54.40 C ATOM 1203 CG1 VAL A 78 -1.086 9.066 -6.469 1.00 22.30 C ATOM 1204 CG2 VAL A 78 0.945 7.666 -6.998 1.00 21.31 C ATOM 0 H VAL A 78 -0.714 4.903 -6.803 1.00 1.23 H new ATOM 0 HA VAL A 78 -0.535 6.986 -4.711 1.00 45.32 H new ATOM 0 HB VAL A 78 -1.042 7.331 -7.707 1.00 54.40 H new ATOM 0 HG11 VAL A 78 -0.797 9.746 -7.271 1.00 22.30 H new ATOM 0 HG12 VAL A 78 -2.173 9.045 -6.385 1.00 22.30 H new ATOM 0 HG13 VAL A 78 -0.656 9.411 -5.529 1.00 22.30 H new ATOM 0 HG21 VAL A 78 1.197 8.373 -7.788 1.00 21.31 H new ATOM 0 HG22 VAL A 78 1.444 7.961 -6.075 1.00 21.31 H new ATOM 0 HG23 VAL A 78 1.275 6.668 -7.286 1.00 21.31 H new ATOM 1214 N CYS A 79 -2.992 7.012 -4.341 1.00 51.02 N ATOM 1215 CA CYS A 79 -4.437 7.154 -4.101 1.00 51.24 C ATOM 1216 C CYS A 79 -4.782 8.602 -3.703 1.00 40.45 C ATOM 1217 O CYS A 79 -4.943 8.916 -2.521 1.00 71.42 O ATOM 1218 CB CYS A 79 -4.906 6.175 -3.012 1.00 43.54 C ATOM 1219 SG CYS A 79 -4.660 4.429 -3.424 1.00 50.14 S ATOM 0 H CYS A 79 -2.413 7.222 -3.528 1.00 51.02 H new ATOM 0 HA CYS A 79 -4.959 6.916 -5.028 1.00 51.24 H new ATOM 0 HB2 CYS A 79 -4.374 6.396 -2.087 1.00 43.54 H new ATOM 0 HB3 CYS A 79 -5.965 6.345 -2.819 1.00 43.54 H new ATOM 0 HG CYS A 79 -5.765 3.775 -3.220 1.00 50.14 H new ATOM 1225 N LEU A 80 -4.890 9.475 -4.710 1.00 45.13 N ATOM 1226 CA LEU A 80 -5.091 10.922 -4.497 1.00 33.21 C ATOM 1227 C LEU A 80 -6.285 11.252 -3.566 1.00 71.43 C ATOM 1228 O LEU A 80 -6.087 11.861 -2.512 1.00 3.24 O ATOM 1229 CB LEU A 80 -5.251 11.640 -5.850 1.00 10.22 C ATOM 1230 CG LEU A 80 -3.978 11.713 -6.709 1.00 71.22 C ATOM 1231 CD1 LEU A 80 -4.263 12.401 -8.041 1.00 60.42 C ATOM 1232 CD2 LEU A 80 -2.856 12.433 -5.957 1.00 33.54 C ATOM 0 H LEU A 80 -4.842 9.206 -5.693 1.00 45.13 H new ATOM 0 HA LEU A 80 -4.199 11.286 -3.987 1.00 33.21 H new ATOM 0 HB2 LEU A 80 -6.027 11.132 -6.423 1.00 10.22 H new ATOM 0 HB3 LEU A 80 -5.603 12.655 -5.665 1.00 10.22 H new ATOM 0 HG LEU A 80 -3.650 10.694 -6.916 1.00 71.22 H new ATOM 0 HD11 LEU A 80 -3.348 12.442 -8.633 1.00 60.42 H new ATOM 0 HD12 LEU A 80 -5.023 11.840 -8.585 1.00 60.42 H new ATOM 0 HD13 LEU A 80 -4.622 13.414 -7.858 1.00 60.42 H new ATOM 0 HD21 LEU A 80 -1.965 12.473 -6.584 1.00 33.54 H new ATOM 0 HD22 LEU A 80 -3.174 13.447 -5.713 1.00 33.54 H new ATOM 0 HD23 LEU A 80 -2.629 11.893 -5.038 1.00 33.54 H new ATOM 1244 N PRO A 81 -7.535 10.848 -3.913 1.00 74.13 N ATOM 1245 CA PRO A 81 -8.724 11.206 -3.109 1.00 23.32 C ATOM 1246 C PRO A 81 -8.729 10.547 -1.716 1.00 63.24 C ATOM 1247 O PRO A 81 -9.552 10.873 -0.862 1.00 74.10 O ATOM 1248 CB PRO A 81 -9.899 10.705 -3.963 1.00 54.25 C ATOM 1249 CG PRO A 81 -9.325 9.636 -4.828 1.00 52.14 C ATOM 1250 CD PRO A 81 -7.893 10.021 -5.085 1.00 63.51 C ATOM 0 HA PRO A 81 -8.762 12.275 -2.899 1.00 23.32 H new ATOM 0 HB2 PRO A 81 -10.703 10.316 -3.338 1.00 54.25 H new ATOM 0 HB3 PRO A 81 -10.322 11.511 -4.562 1.00 54.25 H new ATOM 0 HG2 PRO A 81 -9.384 8.665 -4.336 1.00 52.14 H new ATOM 0 HG3 PRO A 81 -9.879 9.554 -5.763 1.00 52.14 H new ATOM 0 HD2 PRO A 81 -7.251 9.144 -5.167 1.00 63.51 H new ATOM 0 HD3 PRO A 81 -7.790 10.579 -6.015 1.00 63.51 H new ATOM 1258 N HIS A 82 -7.801 9.614 -1.495 1.00 32.52 N ATOM 1259 CA HIS A 82 -7.665 8.945 -0.194 1.00 74.13 C ATOM 1260 C HIS A 82 -6.452 9.478 0.585 1.00 4.33 C ATOM 1261 O HIS A 82 -6.296 9.178 1.770 1.00 22.54 O ATOM 1262 CB HIS A 82 -7.528 7.429 -0.386 1.00 14.11 C ATOM 1263 CG HIS A 82 -8.750 6.774 -0.956 1.00 34.43 C ATOM 1264 ND1 HIS A 82 -8.954 5.413 -0.936 1.00 52.04 N ATOM 1265 CD2 HIS A 82 -9.842 7.300 -1.558 1.00 40.10 C ATOM 1266 CE1 HIS A 82 -10.109 5.133 -1.496 1.00 52.02 C ATOM 1267 NE2 HIS A 82 -10.672 6.260 -1.884 1.00 2.42 N ATOM 0 H HIS A 82 -7.131 9.303 -2.198 1.00 32.52 H new ATOM 0 HA HIS A 82 -8.565 9.158 0.383 1.00 74.13 H new ATOM 0 HB2 HIS A 82 -6.682 7.231 -1.044 1.00 14.11 H new ATOM 0 HB3 HIS A 82 -7.298 6.971 0.576 1.00 14.11 H new ATOM 0 HD2 HIS A 82 -10.025 8.347 -1.747 1.00 40.10 H new ATOM 0 HE1 HIS A 82 -10.527 4.145 -1.618 1.00 52.02 H new ATOM 0 HE2 HIS A 82 -11.576 6.344 -2.350 1.00 2.42 H new ATOM 1276 N LYS A 83 -5.603 10.260 -0.091 1.00 20.41 N ATOM 1277 CA LYS A 83 -4.363 10.790 0.503 1.00 21.01 C ATOM 1278 C LYS A 83 -3.418 9.666 0.966 1.00 11.04 C ATOM 1279 O LYS A 83 -2.594 9.857 1.864 1.00 71.12 O ATOM 1280 CB LYS A 83 -4.679 11.752 1.660 1.00 11.52 C ATOM 1281 CG LYS A 83 -5.116 13.134 1.191 1.00 30.24 C ATOM 1282 CD LYS A 83 -5.502 14.040 2.357 1.00 13.54 C ATOM 1283 CE LYS A 83 -5.648 15.494 1.917 1.00 13.41 C ATOM 1284 NZ LYS A 83 -6.533 15.637 0.728 1.00 11.34 N ATOM 0 H LYS A 83 -5.751 10.544 -1.059 1.00 20.41 H new ATOM 0 HA LYS A 83 -3.843 11.347 -0.277 1.00 21.01 H new ATOM 0 HB2 LYS A 83 -5.466 11.320 2.278 1.00 11.52 H new ATOM 0 HB3 LYS A 83 -3.796 11.852 2.292 1.00 11.52 H new ATOM 0 HG2 LYS A 83 -4.308 13.597 0.625 1.00 30.24 H new ATOM 0 HG3 LYS A 83 -5.964 13.035 0.513 1.00 30.24 H new ATOM 0 HD2 LYS A 83 -6.441 13.695 2.791 1.00 13.54 H new ATOM 0 HD3 LYS A 83 -4.745 13.970 3.138 1.00 13.54 H new ATOM 0 HE2 LYS A 83 -6.052 16.082 2.741 1.00 13.41 H new ATOM 0 HE3 LYS A 83 -4.664 15.902 1.686 1.00 13.41 H new ATOM 0 HZ1 LYS A 83 -6.725 16.645 0.558 1.00 11.34 H new ATOM 0 HZ2 LYS A 83 -6.064 15.229 -0.105 1.00 11.34 H new ATOM 0 HZ3 LYS A 83 -7.429 15.138 0.900 1.00 11.34 H new ATOM 1298 N VAL A 84 -3.526 8.505 0.316 1.00 25.52 N ATOM 1299 CA VAL A 84 -2.663 7.359 0.617 1.00 33.04 C ATOM 1300 C VAL A 84 -1.584 7.189 -0.466 1.00 74.24 C ATOM 1301 O VAL A 84 -1.894 7.081 -1.656 1.00 43.13 O ATOM 1302 CB VAL A 84 -3.482 6.044 0.733 1.00 55.51 C ATOM 1303 CG1 VAL A 84 -2.573 4.854 1.050 1.00 75.33 C ATOM 1304 CG2 VAL A 84 -4.580 6.183 1.789 1.00 14.32 C ATOM 0 H VAL A 84 -4.205 8.333 -0.425 1.00 25.52 H new ATOM 0 HA VAL A 84 -2.187 7.560 1.576 1.00 33.04 H new ATOM 0 HB VAL A 84 -3.955 5.857 -0.231 1.00 55.51 H new ATOM 0 HG11 VAL A 84 -3.173 3.947 1.125 1.00 75.33 H new ATOM 0 HG12 VAL A 84 -1.837 4.737 0.255 1.00 75.33 H new ATOM 0 HG13 VAL A 84 -2.061 5.029 1.996 1.00 75.33 H new ATOM 0 HG21 VAL A 84 -5.142 5.251 1.855 1.00 14.32 H new ATOM 0 HG22 VAL A 84 -4.129 6.403 2.756 1.00 14.32 H new ATOM 0 HG23 VAL A 84 -5.253 6.994 1.510 1.00 14.32 H new ATOM 1314 N PHE A 85 -0.321 7.175 -0.050 1.00 2.53 N ATOM 1315 CA PHE A 85 0.804 7.017 -0.975 1.00 55.41 C ATOM 1316 C PHE A 85 1.768 5.924 -0.492 1.00 20.02 C ATOM 1317 O PHE A 85 2.365 6.031 0.582 1.00 51.31 O ATOM 1318 CB PHE A 85 1.553 8.349 -1.130 1.00 1.21 C ATOM 1319 CG PHE A 85 2.738 8.279 -2.064 1.00 44.02 C ATOM 1320 CD1 PHE A 85 2.550 8.168 -3.434 1.00 50.43 C ATOM 1321 CD2 PHE A 85 4.038 8.314 -1.574 1.00 70.03 C ATOM 1322 CE1 PHE A 85 3.630 8.093 -4.293 1.00 52.01 C ATOM 1323 CE2 PHE A 85 5.121 8.239 -2.430 1.00 41.01 C ATOM 1324 CZ PHE A 85 4.916 8.130 -3.791 1.00 52.24 C ATOM 0 H PHE A 85 -0.047 7.272 0.928 1.00 2.53 H new ATOM 0 HA PHE A 85 0.406 6.715 -1.944 1.00 55.41 H new ATOM 0 HB2 PHE A 85 0.858 9.105 -1.496 1.00 1.21 H new ATOM 0 HB3 PHE A 85 1.895 8.679 -0.149 1.00 1.21 H new ATOM 0 HD1 PHE A 85 1.547 8.140 -3.834 1.00 50.43 H new ATOM 0 HD2 PHE A 85 4.204 8.401 -0.510 1.00 70.03 H new ATOM 0 HE1 PHE A 85 3.468 8.005 -5.357 1.00 52.01 H new ATOM 0 HE2 PHE A 85 6.126 8.266 -2.035 1.00 41.01 H new ATOM 0 HZ PHE A 85 5.760 8.074 -4.462 1.00 52.24 H new ATOM 1334 N VAL A 86 1.915 4.876 -1.296 1.00 24.42 N ATOM 1335 CA VAL A 86 2.819 3.769 -0.974 1.00 13.55 C ATOM 1336 C VAL A 86 4.060 3.797 -1.876 1.00 32.42 C ATOM 1337 O VAL A 86 3.944 3.802 -3.098 1.00 33.44 O ATOM 1338 CB VAL A 86 2.108 2.404 -1.142 1.00 14.42 C ATOM 1339 CG1 VAL A 86 3.003 1.257 -0.673 1.00 0.23 C ATOM 1340 CG2 VAL A 86 0.769 2.400 -0.404 1.00 22.20 C ATOM 0 H VAL A 86 1.419 4.767 -2.180 1.00 24.42 H new ATOM 0 HA VAL A 86 3.123 3.891 0.066 1.00 13.55 H new ATOM 0 HB VAL A 86 1.908 2.252 -2.203 1.00 14.42 H new ATOM 0 HG11 VAL A 86 2.479 0.310 -0.802 1.00 0.23 H new ATOM 0 HG12 VAL A 86 3.920 1.247 -1.262 1.00 0.23 H new ATOM 0 HG13 VAL A 86 3.249 1.395 0.380 1.00 0.23 H new ATOM 0 HG21 VAL A 86 0.285 1.432 -0.534 1.00 22.20 H new ATOM 0 HG22 VAL A 86 0.938 2.581 0.657 1.00 22.20 H new ATOM 0 HG23 VAL A 86 0.128 3.184 -0.808 1.00 22.20 H new ATOM 1350 N GLU A 87 5.244 3.823 -1.276 1.00 73.23 N ATOM 1351 CA GLU A 87 6.496 3.830 -2.045 1.00 41.12 C ATOM 1352 C GLU A 87 7.415 2.670 -1.638 1.00 31.33 C ATOM 1353 O GLU A 87 7.709 2.478 -0.458 1.00 52.43 O ATOM 1354 CB GLU A 87 7.220 5.175 -1.869 1.00 10.15 C ATOM 1355 CG GLU A 87 7.621 5.491 -0.429 1.00 51.13 C ATOM 1356 CD GLU A 87 8.275 6.858 -0.284 1.00 33.20 C ATOM 1357 OE1 GLU A 87 9.437 7.022 -0.718 1.00 1.40 O ATOM 1358 OE2 GLU A 87 7.627 7.779 0.257 1.00 52.15 O ATOM 0 H GLU A 87 5.370 3.840 -0.264 1.00 73.23 H new ATOM 0 HA GLU A 87 6.243 3.697 -3.097 1.00 41.12 H new ATOM 0 HB2 GLU A 87 8.115 5.176 -2.491 1.00 10.15 H new ATOM 0 HB3 GLU A 87 6.574 5.972 -2.237 1.00 10.15 H new ATOM 0 HG2 GLU A 87 6.737 5.447 0.207 1.00 51.13 H new ATOM 0 HG3 GLU A 87 8.309 4.725 -0.072 1.00 51.13 H new ATOM 1365 N ILE A 88 7.851 1.884 -2.619 1.00 64.31 N ATOM 1366 CA ILE A 88 8.766 0.769 -2.359 1.00 23.22 C ATOM 1367 C ILE A 88 10.230 1.226 -2.450 1.00 21.24 C ATOM 1368 O ILE A 88 10.719 1.584 -3.522 1.00 42.10 O ATOM 1369 CB ILE A 88 8.519 -0.398 -3.345 1.00 11.33 C ATOM 1370 CG1 ILE A 88 7.053 -0.859 -3.267 1.00 0.32 C ATOM 1371 CG2 ILE A 88 9.473 -1.561 -3.059 1.00 11.42 C ATOM 1372 CD1 ILE A 88 6.706 -1.960 -4.247 1.00 14.53 C ATOM 0 H ILE A 88 7.589 1.995 -3.598 1.00 64.31 H new ATOM 0 HA ILE A 88 8.570 0.416 -1.346 1.00 23.22 H new ATOM 0 HB ILE A 88 8.716 -0.045 -4.357 1.00 11.33 H new ATOM 0 HG12 ILE A 88 6.845 -1.207 -2.255 1.00 0.32 H new ATOM 0 HG13 ILE A 88 6.403 -0.004 -3.450 1.00 0.32 H new ATOM 0 HG21 ILE A 88 9.282 -2.370 -3.764 1.00 11.42 H new ATOM 0 HG22 ILE A 88 10.503 -1.222 -3.167 1.00 11.42 H new ATOM 0 HG23 ILE A 88 9.314 -1.920 -2.042 1.00 11.42 H new ATOM 0 HD11 ILE A 88 5.657 -2.232 -4.132 1.00 14.53 H new ATOM 0 HD12 ILE A 88 6.881 -1.610 -5.264 1.00 14.53 H new ATOM 0 HD13 ILE A 88 7.330 -2.832 -4.051 1.00 14.53 H new ATOM 1384 N LYS A 89 10.920 1.216 -1.315 1.00 35.30 N ATOM 1385 CA LYS A 89 12.322 1.643 -1.249 1.00 73.44 C ATOM 1386 C LYS A 89 13.238 0.483 -0.834 1.00 54.02 C ATOM 1387 O LYS A 89 12.812 -0.441 -0.138 1.00 71.52 O ATOM 1388 CB LYS A 89 12.468 2.815 -0.266 1.00 71.40 C ATOM 1389 CG LYS A 89 11.991 2.495 1.149 1.00 70.11 C ATOM 1390 CD LYS A 89 12.059 3.713 2.068 1.00 23.14 C ATOM 1391 CE LYS A 89 13.477 4.255 2.194 1.00 64.12 C ATOM 1392 NZ LYS A 89 13.541 5.422 3.107 1.00 2.04 N ATOM 0 H LYS A 89 10.533 0.916 -0.420 1.00 35.30 H new ATOM 0 HA LYS A 89 12.626 1.969 -2.244 1.00 73.44 H new ATOM 0 HB2 LYS A 89 13.515 3.116 -0.227 1.00 71.40 H new ATOM 0 HB3 LYS A 89 11.905 3.668 -0.645 1.00 71.40 H new ATOM 0 HG2 LYS A 89 10.966 2.127 1.111 1.00 70.11 H new ATOM 0 HG3 LYS A 89 12.602 1.694 1.564 1.00 70.11 H new ATOM 0 HD2 LYS A 89 11.405 4.495 1.682 1.00 23.14 H new ATOM 0 HD3 LYS A 89 11.685 3.443 3.056 1.00 23.14 H new ATOM 0 HE2 LYS A 89 14.135 3.468 2.563 1.00 64.12 H new ATOM 0 HE3 LYS A 89 13.845 4.543 1.209 1.00 64.12 H new ATOM 0 HZ1 LYS A 89 14.522 5.763 3.167 1.00 2.04 H new ATOM 0 HZ2 LYS A 89 12.932 6.182 2.742 1.00 2.04 H new ATOM 0 HZ3 LYS A 89 13.214 5.141 4.053 1.00 2.04 H new ATOM 1406 N SER A 90 14.495 0.530 -1.260 1.00 24.14 N ATOM 1407 CA SER A 90 15.448 -0.549 -0.965 1.00 3.11 C ATOM 1408 C SER A 90 16.191 -0.313 0.356 1.00 20.54 C ATOM 1409 O SER A 90 16.814 0.732 0.555 1.00 4.34 O ATOM 1410 CB SER A 90 16.467 -0.694 -2.107 1.00 43.04 C ATOM 1411 OG SER A 90 17.413 -1.715 -1.828 1.00 62.14 O ATOM 0 H SER A 90 14.883 1.297 -1.809 1.00 24.14 H new ATOM 0 HA SER A 90 14.870 -1.468 -0.870 1.00 3.11 H new ATOM 0 HB2 SER A 90 15.945 -0.923 -3.036 1.00 43.04 H new ATOM 0 HB3 SER A 90 16.985 0.253 -2.258 1.00 43.04 H new ATOM 0 HG SER A 90 18.257 -1.309 -1.539 1.00 62.14 H new ATOM 1417 N THR A 91 16.120 -1.297 1.257 1.00 62.33 N ATOM 1418 CA THR A 91 16.873 -1.250 2.520 1.00 22.21 C ATOM 1419 C THR A 91 18.379 -1.325 2.250 1.00 60.00 C ATOM 1420 O THR A 91 19.194 -0.816 3.022 1.00 11.53 O ATOM 1421 CB THR A 91 16.486 -2.407 3.479 1.00 71.11 C ATOM 1422 OG1 THR A 91 16.912 -3.668 2.941 1.00 65.42 O ATOM 1423 CG2 THR A 91 14.981 -2.446 3.715 1.00 25.53 C ATOM 0 H THR A 91 15.551 -2.135 1.139 1.00 62.33 H new ATOM 0 HA THR A 91 16.619 -0.304 2.997 1.00 22.21 H new ATOM 0 HB THR A 91 16.987 -2.227 4.430 1.00 71.11 H new ATOM 0 HG1 THR A 91 16.452 -3.834 2.092 1.00 65.42 H new ATOM 0 HG21 THR A 91 14.740 -3.267 4.391 1.00 25.53 H new ATOM 0 HG22 THR A 91 14.658 -1.504 4.158 1.00 25.53 H new ATOM 0 HG23 THR A 91 14.468 -2.595 2.765 1.00 25.53 H new ATOM 1431 N GLN A 92 18.736 -1.977 1.146 1.00 31.34 N ATOM 1432 CA GLN A 92 20.122 -2.029 0.686 1.00 51.34 C ATOM 1433 C GLN A 92 20.453 -0.755 -0.100 1.00 21.32 C ATOM 1434 O GLN A 92 19.757 -0.430 -1.064 1.00 54.34 O ATOM 1435 CB GLN A 92 20.341 -3.267 -0.198 1.00 3.30 C ATOM 1436 CG GLN A 92 19.959 -4.585 0.477 1.00 3.34 C ATOM 1437 CD GLN A 92 20.757 -4.849 1.741 1.00 25.43 C ATOM 1438 OE1 GLN A 92 20.361 -4.459 2.835 1.00 33.14 O ATOM 1439 NE2 GLN A 92 21.888 -5.506 1.605 1.00 51.53 N ATOM 0 H GLN A 92 18.079 -2.480 0.549 1.00 31.34 H new ATOM 0 HA GLN A 92 20.782 -2.097 1.551 1.00 51.34 H new ATOM 0 HB2 GLN A 92 19.758 -3.156 -1.113 1.00 3.30 H new ATOM 0 HB3 GLN A 92 21.390 -3.311 -0.492 1.00 3.30 H new ATOM 0 HG2 GLN A 92 18.896 -4.569 0.720 1.00 3.34 H new ATOM 0 HG3 GLN A 92 20.114 -5.406 -0.224 1.00 3.34 H new ATOM 0 HE21 GLN A 92 22.189 -5.817 0.681 1.00 51.53 H new ATOM 0 HE22 GLN A 92 22.464 -5.705 2.423 1.00 51.53 H new