USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 828 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 69 SER OG : rot 176:sc= 0.755 USER MOD Set 1.2: A 76 ASN : amide:sc= 0.876 K(o=1.6,f=-0.28) USER MOD Set 2.1: A 42 MET CE :methyl -122:sc= -0.263 (180deg=-0.149) USER MOD Set 2.2: A 56 ASN : amide:sc= -2.17 K(o=-2.4,f=-5.9!) USER MOD Set 3.1: A 27 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 82 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 13 GLN : amide:sc= 0.23 K(o=0.25,f=-4.9!) USER MOD Set 4.2: A 115 THR OG1 : rot -76:sc= 0.0213 USER MOD Single : A 10 GLN : amide:sc= -0.713 K(o=-0.71,f=-1.6) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 24:sc= 0.242 USER MOD Single : A 32 MET CE :methyl -143:sc= -0.584 (180deg=-1.38) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.00183 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.41 K(o=-1.4,f=-6!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.0794 K(o=-0.079,f=-1.5) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.605 USER MOD Single : A 84 SER OG : rot 180:sc= -0.228 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 87 THR OG1 : rot -69:sc= 0.339 USER MOD Single : A 93 THR OG1 : rot -26:sc= 0.557 USER MOD Single : A 94 TYR OH : rot -35:sc= 0.869 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.0523 USER MOD Single : A 98 LYS NZ :NH3+ -158:sc= -0.86 (180deg=-1.62!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= -1.17 USER MOD Single : A 110 LYS NZ :NH3+ 148:sc= 0.691 (180deg=0.194) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 82:sc= 1.1 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -7.389 26.283 -4.709 1.00 0.00 N ATOM 67 CA GLU A 8 -6.926 25.900 -3.380 1.00 0.00 C ATOM 68 C GLU A 8 -6.256 24.530 -3.411 1.00 0.00 C ATOM 69 O GLU A 8 -6.180 23.887 -4.459 1.00 0.00 O ATOM 70 CB GLU A 8 -8.095 25.886 -2.393 1.00 0.00 C ATOM 71 CG GLU A 8 -9.190 24.900 -2.760 1.00 0.00 C ATOM 72 CD GLU A 8 -10.488 25.167 -2.023 1.00 0.00 C ATOM 73 OE1 GLU A 8 -10.739 26.338 -1.668 1.00 0.00 O ATOM 74 OE2 GLU A 8 -11.253 24.205 -1.801 1.00 0.00 O ATOM 0 HA GLU A 8 -6.192 26.637 -3.053 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.718 25.644 -1.400 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.523 26.887 -2.336 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.370 24.947 -3.834 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.852 23.888 -2.537 1.00 0.00 H new ATOM 81 N LEU A 9 -5.771 24.089 -2.255 1.00 0.00 N ATOM 82 CA LEU A 9 -5.106 22.795 -2.148 1.00 0.00 C ATOM 83 C LEU A 9 -5.971 21.688 -2.744 1.00 0.00 C ATOM 84 O LEU A 9 -7.199 21.749 -2.688 1.00 0.00 O ATOM 85 CB LEU A 9 -4.792 22.480 -0.685 1.00 0.00 C ATOM 86 CG LEU A 9 -4.425 21.029 -0.374 1.00 0.00 C ATOM 87 CD1 LEU A 9 -3.471 20.960 0.808 1.00 0.00 C ATOM 88 CD2 LEU A 9 -5.678 20.210 -0.099 1.00 0.00 C ATOM 0 H LEU A 9 -5.826 24.608 -1.379 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.174 22.846 -2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.968 23.118 -0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.658 22.752 -0.082 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.922 20.607 -1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.222 19.919 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.561 21.512 0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.946 21.400 1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.398 19.180 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.208 20.632 0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.326 20.231 -0.975 1.00 0.00 H new ATOM 100 N GLN A 10 -5.321 20.677 -3.311 1.00 0.00 N ATOM 101 CA GLN A 10 -6.030 19.555 -3.915 1.00 0.00 C ATOM 102 C GLN A 10 -5.257 18.255 -3.723 1.00 0.00 C ATOM 103 O GLN A 10 -4.026 18.242 -3.755 1.00 0.00 O ATOM 104 CB GLN A 10 -6.259 19.812 -5.405 1.00 0.00 C ATOM 105 CG GLN A 10 -6.460 18.543 -6.217 1.00 0.00 C ATOM 106 CD GLN A 10 -7.769 17.847 -5.898 1.00 0.00 C ATOM 107 OE1 GLN A 10 -8.683 18.448 -5.332 1.00 0.00 O ATOM 108 NE2 GLN A 10 -7.866 16.573 -6.260 1.00 0.00 N ATOM 0 H GLN A 10 -4.305 20.612 -3.365 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.995 19.458 -3.418 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.133 20.452 -5.525 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.406 20.359 -5.806 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.432 18.787 -7.279 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.633 17.859 -6.026 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.084 16.114 -6.727 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -8.723 16.053 -6.071 1.00 0.00 H new ATOM 117 N VAL A 11 -5.987 17.162 -3.525 1.00 0.00 N ATOM 118 CA VAL A 11 -5.369 15.855 -3.329 1.00 0.00 C ATOM 119 C VAL A 11 -5.004 15.215 -4.663 1.00 0.00 C ATOM 120 O VAL A 11 -5.879 14.868 -5.457 1.00 0.00 O ATOM 121 CB VAL A 11 -6.300 14.905 -2.554 1.00 0.00 C ATOM 122 CG1 VAL A 11 -5.764 13.482 -2.593 1.00 0.00 C ATOM 123 CG2 VAL A 11 -6.471 15.380 -1.118 1.00 0.00 C ATOM 0 H VAL A 11 -7.007 17.155 -3.496 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.462 16.017 -2.747 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.279 14.912 -3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.435 12.825 -2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.699 13.146 -3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.773 13.454 -2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.132 14.697 -0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.499 15.404 -0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.904 16.380 -1.115 1.00 0.00 H new ATOM 133 N ILE A 12 -3.706 15.061 -4.904 1.00 0.00 N ATOM 134 CA ILE A 12 -3.225 14.460 -6.142 1.00 0.00 C ATOM 135 C ILE A 12 -3.008 12.960 -5.977 1.00 0.00 C ATOM 136 O ILE A 12 -2.117 12.529 -5.245 1.00 0.00 O ATOM 137 CB ILE A 12 -1.909 15.110 -6.608 1.00 0.00 C ATOM 138 CG1 ILE A 12 -2.138 16.581 -6.961 1.00 0.00 C ATOM 139 CG2 ILE A 12 -1.340 14.356 -7.801 1.00 0.00 C ATOM 140 CD1 ILE A 12 -3.003 16.781 -8.186 1.00 0.00 C ATOM 0 H ILE A 12 -2.969 15.344 -4.258 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.993 14.632 -6.896 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.187 15.060 -5.793 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.603 17.082 -6.112 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.173 17.061 -7.125 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.410 14.827 -8.119 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.145 13.322 -7.518 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.057 14.379 -8.621 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.123 17.847 -8.377 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.529 16.309 -9.047 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.981 16.330 -8.018 1.00 0.00 H new ATOM 152 N GLN A 13 -3.827 12.170 -6.663 1.00 0.00 N ATOM 153 CA GLN A 13 -3.724 10.717 -6.593 1.00 0.00 C ATOM 154 C GLN A 13 -3.421 10.126 -7.966 1.00 0.00 C ATOM 155 O GLN A 13 -4.321 9.754 -8.720 1.00 0.00 O ATOM 156 CB GLN A 13 -5.018 10.118 -6.040 1.00 0.00 C ATOM 157 CG GLN A 13 -5.026 9.978 -4.526 1.00 0.00 C ATOM 158 CD GLN A 13 -5.875 8.814 -4.053 1.00 0.00 C ATOM 159 OE1 GLN A 13 -6.616 8.214 -4.832 1.00 0.00 O ATOM 160 NE2 GLN A 13 -5.771 8.489 -2.770 1.00 0.00 N ATOM 0 H GLN A 13 -4.569 12.511 -7.274 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.902 10.468 -5.922 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.857 10.744 -6.343 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.175 9.137 -6.488 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.004 9.845 -4.172 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.400 10.900 -4.081 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.144 9.014 -2.160 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.318 7.714 -2.394 1.00 0.00 H new ATOM 169 N PRO A 14 -2.126 10.037 -8.300 1.00 0.00 N ATOM 170 CA PRO A 14 -1.675 9.492 -9.584 1.00 0.00 C ATOM 171 C PRO A 14 -1.906 7.989 -9.689 1.00 0.00 C ATOM 172 O PRO A 14 -2.242 7.476 -10.756 1.00 0.00 O ATOM 173 CB PRO A 14 -0.177 9.805 -9.596 1.00 0.00 C ATOM 174 CG PRO A 14 0.202 9.901 -8.159 1.00 0.00 C ATOM 175 CD PRO A 14 -1.000 10.462 -7.450 1.00 0.00 C ATOM 0 HA PRO A 14 -2.221 9.922 -10.424 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.387 9.022 -10.103 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.028 10.737 -10.123 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.469 8.923 -7.760 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.070 10.547 -8.027 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.090 10.068 -6.438 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.947 11.547 -7.366 1.00 0.00 H new ATOM 183 N GLU A 15 -1.723 7.288 -8.574 1.00 0.00 N ATOM 184 CA GLU A 15 -1.912 5.842 -8.542 1.00 0.00 C ATOM 185 C GLU A 15 -3.361 5.489 -8.220 1.00 0.00 C ATOM 186 O GLU A 15 -3.733 5.342 -7.056 1.00 0.00 O ATOM 187 CB GLU A 15 -0.980 5.206 -7.508 1.00 0.00 C ATOM 188 CG GLU A 15 0.453 5.056 -7.992 1.00 0.00 C ATOM 189 CD GLU A 15 1.264 4.110 -7.128 1.00 0.00 C ATOM 190 OE1 GLU A 15 0.918 3.947 -5.939 1.00 0.00 O ATOM 191 OE2 GLU A 15 2.245 3.533 -7.641 1.00 0.00 O ATOM 0 H GLU A 15 -1.444 7.697 -7.682 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.671 5.449 -9.530 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.987 5.813 -6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.368 4.224 -7.237 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.449 4.691 -9.019 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.933 6.034 -8.003 1.00 0.00 H new ATOM 198 N LYS A 16 -4.177 5.356 -9.261 1.00 0.00 N ATOM 199 CA LYS A 16 -5.585 5.020 -9.092 1.00 0.00 C ATOM 200 C LYS A 16 -5.745 3.718 -8.314 1.00 0.00 C ATOM 201 O LYS A 16 -6.818 3.428 -7.785 1.00 0.00 O ATOM 202 CB LYS A 16 -6.269 4.899 -10.456 1.00 0.00 C ATOM 203 CG LYS A 16 -5.646 3.847 -11.357 1.00 0.00 C ATOM 204 CD LYS A 16 -6.654 3.297 -12.352 1.00 0.00 C ATOM 205 CE LYS A 16 -6.140 2.033 -13.025 1.00 0.00 C ATOM 206 NZ LYS A 16 -6.854 1.755 -14.302 1.00 0.00 N ATOM 0 H LYS A 16 -3.886 5.476 -10.231 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.058 5.822 -8.525 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.322 4.659 -10.305 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.231 5.865 -10.959 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.802 4.280 -11.894 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.252 3.033 -10.749 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.592 3.082 -11.840 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.869 4.052 -13.109 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.072 2.134 -13.220 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.262 1.187 -12.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.475 0.886 -14.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.869 1.633 -14.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.717 2.551 -14.957 1.00 0.00 H new ATOM 220 N SER A 17 -4.670 2.939 -8.247 1.00 0.00 N ATOM 221 CA SER A 17 -4.692 1.667 -7.534 1.00 0.00 C ATOM 222 C SER A 17 -3.289 1.076 -7.434 1.00 0.00 C ATOM 223 O SER A 17 -2.511 1.128 -8.387 1.00 0.00 O ATOM 224 CB SER A 17 -5.624 0.679 -8.240 1.00 0.00 C ATOM 225 OG SER A 17 -4.976 0.061 -9.338 1.00 0.00 O ATOM 0 H SER A 17 -3.774 3.166 -8.677 1.00 0.00 H new ATOM 0 HA SER A 17 -5.063 1.850 -6.526 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.954 -0.082 -7.533 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.516 1.200 -8.587 1.00 0.00 H new ATOM 0 HG SER A 17 -5.592 -0.566 -9.771 1.00 0.00 H new ATOM 231 N VAL A 18 -2.972 0.514 -6.272 1.00 0.00 N ATOM 232 CA VAL A 18 -1.663 -0.088 -6.046 1.00 0.00 C ATOM 233 C VAL A 18 -1.729 -1.606 -6.166 1.00 0.00 C ATOM 234 O VAL A 18 -2.800 -2.202 -6.057 1.00 0.00 O ATOM 235 CB VAL A 18 -1.108 0.283 -4.658 1.00 0.00 C ATOM 236 CG1 VAL A 18 0.187 -0.468 -4.383 1.00 0.00 C ATOM 237 CG2 VAL A 18 -0.895 1.785 -4.553 1.00 0.00 C ATOM 0 H VAL A 18 -3.603 0.463 -5.473 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.996 0.305 -6.813 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.838 -0.010 -3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.565 -0.193 -3.398 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.001 -1.541 -4.413 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.926 -0.208 -5.141 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.503 2.029 -3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.185 2.106 -5.315 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.845 2.299 -4.703 1.00 0.00 H new ATOM 247 N SER A 19 -0.575 -2.227 -6.391 1.00 0.00 N ATOM 248 CA SER A 19 -0.501 -3.676 -6.529 1.00 0.00 C ATOM 249 C SER A 19 0.679 -4.238 -5.742 1.00 0.00 C ATOM 250 O SER A 19 1.828 -3.856 -5.967 1.00 0.00 O ATOM 251 CB SER A 19 -0.375 -4.063 -8.004 1.00 0.00 C ATOM 252 OG SER A 19 -0.965 -5.328 -8.252 1.00 0.00 O ATOM 0 H SER A 19 0.321 -1.749 -6.481 1.00 0.00 H new ATOM 0 HA SER A 19 -1.420 -4.102 -6.126 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.856 -3.306 -8.624 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.677 -4.087 -8.288 1.00 0.00 H new ATOM 0 HG SER A 19 -0.873 -5.551 -9.202 1.00 0.00 H new ATOM 258 N VAL A 20 0.387 -5.147 -4.818 1.00 0.00 N ATOM 259 CA VAL A 20 1.422 -5.764 -3.997 1.00 0.00 C ATOM 260 C VAL A 20 1.087 -7.219 -3.690 1.00 0.00 C ATOM 261 O VAL A 20 0.094 -7.754 -4.180 1.00 0.00 O ATOM 262 CB VAL A 20 1.616 -5.002 -2.672 1.00 0.00 C ATOM 263 CG1 VAL A 20 2.583 -3.843 -2.859 1.00 0.00 C ATOM 264 CG2 VAL A 20 0.278 -4.510 -2.141 1.00 0.00 C ATOM 0 H VAL A 20 -0.559 -5.473 -4.619 1.00 0.00 H new ATOM 0 HA VAL A 20 2.348 -5.722 -4.571 1.00 0.00 H new ATOM 0 HB VAL A 20 2.044 -5.686 -1.939 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.707 -3.317 -1.913 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.548 -4.225 -3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.187 -3.156 -3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.433 -3.974 -1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.179 -3.842 -2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.380 -5.362 -1.967 1.00 0.00 H new ATOM 274 N ALA A 21 1.922 -7.853 -2.874 1.00 0.00 N ATOM 275 CA ALA A 21 1.713 -9.246 -2.499 1.00 0.00 C ATOM 276 C ALA A 21 1.763 -9.420 -0.985 1.00 0.00 C ATOM 277 O ALA A 21 2.543 -8.759 -0.300 1.00 0.00 O ATOM 278 CB ALA A 21 2.751 -10.134 -3.169 1.00 0.00 C ATOM 0 H ALA A 21 2.750 -7.424 -2.460 1.00 0.00 H new ATOM 0 HA ALA A 21 0.722 -9.544 -2.840 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.583 -11.172 -2.880 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.666 -10.040 -4.252 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.749 -9.827 -2.856 1.00 0.00 H new ATOM 284 N ALA A 22 0.926 -10.313 -0.468 1.00 0.00 N ATOM 285 CA ALA A 22 0.876 -10.575 0.965 1.00 0.00 C ATOM 286 C ALA A 22 2.279 -10.658 1.557 1.00 0.00 C ATOM 287 O ALA A 22 3.013 -11.613 1.306 1.00 0.00 O ATOM 288 CB ALA A 22 0.108 -11.859 1.241 1.00 0.00 C ATOM 0 H ALA A 22 0.273 -10.868 -1.021 1.00 0.00 H new ATOM 0 HA ALA A 22 0.357 -9.744 1.443 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.079 -12.042 2.315 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.909 -11.763 0.862 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.603 -12.693 0.744 1.00 0.00 H new ATOM 294 N GLY A 23 2.645 -9.651 2.344 1.00 0.00 N ATOM 295 CA GLY A 23 3.959 -9.630 2.959 1.00 0.00 C ATOM 296 C GLY A 23 4.894 -8.639 2.295 1.00 0.00 C ATOM 297 O GLY A 23 6.080 -8.583 2.617 1.00 0.00 O ATOM 0 H GLY A 23 2.055 -8.849 2.567 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.859 -9.379 4.015 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.396 -10.627 2.909 1.00 0.00 H new ATOM 301 N GLU A 24 4.359 -7.856 1.363 1.00 0.00 N ATOM 302 CA GLU A 24 5.155 -6.864 0.650 1.00 0.00 C ATOM 303 C GLU A 24 4.822 -5.453 1.128 1.00 0.00 C ATOM 304 O GLU A 24 3.972 -5.266 1.998 1.00 0.00 O ATOM 305 CB GLU A 24 4.917 -6.973 -0.857 1.00 0.00 C ATOM 306 CG GLU A 24 5.290 -8.328 -1.435 1.00 0.00 C ATOM 307 CD GLU A 24 6.756 -8.662 -1.239 1.00 0.00 C ATOM 308 OE1 GLU A 24 7.609 -7.812 -1.569 1.00 0.00 O ATOM 309 OE2 GLU A 24 7.051 -9.775 -0.755 1.00 0.00 O ATOM 0 H GLU A 24 3.378 -7.890 1.084 1.00 0.00 H new ATOM 0 HA GLU A 24 6.206 -7.061 0.859 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.866 -6.775 -1.066 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.494 -6.200 -1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.680 -9.100 -0.966 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.057 -8.341 -2.500 1.00 0.00 H new ATOM 316 N SER A 25 5.497 -4.464 0.551 1.00 0.00 N ATOM 317 CA SER A 25 5.277 -3.071 0.920 1.00 0.00 C ATOM 318 C SER A 25 4.463 -2.348 -0.149 1.00 0.00 C ATOM 319 O SER A 25 4.801 -2.386 -1.332 1.00 0.00 O ATOM 320 CB SER A 25 6.614 -2.358 1.128 1.00 0.00 C ATOM 321 OG SER A 25 7.394 -2.382 -0.055 1.00 0.00 O ATOM 0 H SER A 25 6.201 -4.602 -0.174 1.00 0.00 H new ATOM 0 HA SER A 25 4.715 -3.053 1.854 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.436 -1.326 1.429 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.163 -2.837 1.939 1.00 0.00 H new ATOM 0 HG SER A 25 6.807 -2.489 -0.832 1.00 0.00 H new ATOM 327 N ALA A 26 3.390 -1.691 0.276 1.00 0.00 N ATOM 328 CA ALA A 26 2.529 -0.957 -0.643 1.00 0.00 C ATOM 329 C ALA A 26 2.707 0.548 -0.480 1.00 0.00 C ATOM 330 O ALA A 26 2.644 1.075 0.631 1.00 0.00 O ATOM 331 CB ALA A 26 1.073 -1.344 -0.426 1.00 0.00 C ATOM 0 H ALA A 26 3.096 -1.652 1.252 1.00 0.00 H new ATOM 0 HA ALA A 26 2.817 -1.222 -1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.442 -0.788 -1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.951 -2.413 -0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.783 -1.109 0.598 1.00 0.00 H new ATOM 337 N THR A 27 2.933 1.237 -1.595 1.00 0.00 N ATOM 338 CA THR A 27 3.123 2.682 -1.575 1.00 0.00 C ATOM 339 C THR A 27 1.862 3.409 -2.030 1.00 0.00 C ATOM 340 O THR A 27 1.452 3.296 -3.186 1.00 0.00 O ATOM 341 CB THR A 27 4.299 3.106 -2.474 1.00 0.00 C ATOM 342 OG1 THR A 27 5.394 2.198 -2.309 1.00 0.00 O ATOM 343 CG2 THR A 27 4.752 4.520 -2.142 1.00 0.00 C ATOM 0 H THR A 27 2.989 0.817 -2.523 1.00 0.00 H new ATOM 0 HA THR A 27 3.346 2.957 -0.544 1.00 0.00 H new ATOM 0 HB THR A 27 3.962 3.083 -3.510 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.137 2.474 -2.885 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.584 4.797 -2.790 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.925 5.213 -2.297 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.073 4.564 -1.101 1.00 0.00 H new ATOM 351 N LEU A 28 1.252 4.154 -1.115 1.00 0.00 N ATOM 352 CA LEU A 28 0.037 4.901 -1.423 1.00 0.00 C ATOM 353 C LEU A 28 0.366 6.340 -1.807 1.00 0.00 C ATOM 354 O LEU A 28 0.217 7.258 -0.999 1.00 0.00 O ATOM 355 CB LEU A 28 -0.913 4.884 -0.225 1.00 0.00 C ATOM 356 CG LEU A 28 -1.295 3.504 0.310 1.00 0.00 C ATOM 357 CD1 LEU A 28 -2.044 3.630 1.627 1.00 0.00 C ATOM 358 CD2 LEU A 28 -2.133 2.750 -0.712 1.00 0.00 C ATOM 0 H LEU A 28 1.578 4.257 -0.154 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.451 4.421 -2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.454 5.451 0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.827 5.409 -0.504 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.380 2.939 0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.307 2.637 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.410 4.130 2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.952 4.213 1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.396 1.770 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.043 3.312 -0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.561 2.627 -1.632 1.00 0.00 H new ATOM 370 N ARG A 29 0.811 6.531 -3.045 1.00 0.00 N ATOM 371 CA ARG A 29 1.159 7.859 -3.536 1.00 0.00 C ATOM 372 C ARG A 29 0.146 8.896 -3.061 1.00 0.00 C ATOM 373 O ARG A 29 -1.058 8.637 -3.031 1.00 0.00 O ATOM 374 CB ARG A 29 1.227 7.859 -5.064 1.00 0.00 C ATOM 375 CG ARG A 29 2.474 7.189 -5.618 1.00 0.00 C ATOM 376 CD ARG A 29 3.634 8.167 -5.718 1.00 0.00 C ATOM 377 NE ARG A 29 3.424 9.160 -6.768 1.00 0.00 N ATOM 378 CZ ARG A 29 4.352 10.027 -7.156 1.00 0.00 C ATOM 379 NH1 ARG A 29 5.548 10.023 -6.583 1.00 0.00 N ATOM 380 NH2 ARG A 29 4.086 10.900 -8.119 1.00 0.00 N ATOM 0 H ARG A 29 0.939 5.783 -3.726 1.00 0.00 H new ATOM 0 HA ARG A 29 2.138 8.123 -3.136 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.347 7.352 -5.458 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.189 8.888 -5.421 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.755 6.354 -4.977 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.259 6.776 -6.603 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.765 8.673 -4.762 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.555 7.618 -5.917 1.00 0.00 H new ATOM 0 HE ARG A 29 2.514 9.189 -7.229 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.757 9.353 -5.843 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.259 10.690 -6.883 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.168 10.906 -8.563 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.800 11.565 -8.416 1.00 0.00 H new ATOM 394 N CYS A 30 0.641 10.072 -2.690 1.00 0.00 N ATOM 395 CA CYS A 30 -0.219 11.150 -2.216 1.00 0.00 C ATOM 396 C CYS A 30 0.554 12.462 -2.125 1.00 0.00 C ATOM 397 O CYS A 30 1.634 12.519 -1.538 1.00 0.00 O ATOM 398 CB CYS A 30 -0.808 10.796 -0.849 1.00 0.00 C ATOM 399 SG CYS A 30 -1.896 12.081 -0.153 1.00 0.00 S ATOM 0 H CYS A 30 1.634 10.303 -2.709 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.031 11.276 -2.932 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.371 9.867 -0.937 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.008 10.609 -0.151 1.00 0.00 H new ATOM 404 N ALA A 31 -0.008 13.515 -2.710 1.00 0.00 N ATOM 405 CA ALA A 31 0.626 14.828 -2.693 1.00 0.00 C ATOM 406 C ALA A 31 -0.396 15.934 -2.929 1.00 0.00 C ATOM 407 O ALA A 31 -1.318 15.780 -3.730 1.00 0.00 O ATOM 408 CB ALA A 31 1.730 14.894 -3.738 1.00 0.00 C ATOM 0 H ALA A 31 -0.901 13.484 -3.202 1.00 0.00 H new ATOM 0 HA ALA A 31 1.065 14.980 -1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.195 15.880 -3.714 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.481 14.134 -3.523 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.306 14.716 -4.726 1.00 0.00 H new ATOM 414 N MET A 32 -0.227 17.049 -2.226 1.00 0.00 N ATOM 415 CA MET A 32 -1.136 18.182 -2.360 1.00 0.00 C ATOM 416 C MET A 32 -0.535 19.257 -3.261 1.00 0.00 C ATOM 417 O MET A 32 0.685 19.371 -3.380 1.00 0.00 O ATOM 418 CB MET A 32 -1.455 18.773 -0.986 1.00 0.00 C ATOM 419 CG MET A 32 -1.782 17.724 0.065 1.00 0.00 C ATOM 420 SD MET A 32 -3.348 16.888 -0.252 1.00 0.00 S ATOM 421 CE MET A 32 -2.989 15.249 0.374 1.00 0.00 C ATOM 0 H MET A 32 0.530 17.192 -1.558 1.00 0.00 H new ATOM 0 HA MET A 32 -2.059 17.823 -2.816 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.604 19.363 -0.646 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.299 19.457 -1.080 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.981 16.986 0.098 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.819 18.198 1.046 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.470 14.504 -0.260 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.911 15.086 0.371 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.367 15.158 1.392 1.00 0.00 H new ATOM 431 N THR A 33 -1.400 20.043 -3.895 1.00 0.00 N ATOM 432 CA THR A 33 -0.955 21.107 -4.786 1.00 0.00 C ATOM 433 C THR A 33 -0.522 22.338 -3.999 1.00 0.00 C ATOM 434 O THR A 33 -0.131 23.351 -4.578 1.00 0.00 O ATOM 435 CB THR A 33 -2.063 21.509 -5.778 1.00 0.00 C ATOM 436 OG1 THR A 33 -2.956 22.444 -5.162 1.00 0.00 O ATOM 437 CG2 THR A 33 -2.842 20.288 -6.244 1.00 0.00 C ATOM 0 H THR A 33 -2.413 19.962 -3.808 1.00 0.00 H new ATOM 0 HA THR A 33 -0.103 20.717 -5.343 1.00 0.00 H new ATOM 0 HB THR A 33 -1.593 21.973 -6.645 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.656 22.696 -5.799 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.619 20.597 -6.944 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.165 19.591 -6.738 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.301 19.800 -5.385 1.00 0.00 H new ATOM 445 N SER A 34 -0.593 22.244 -2.675 1.00 0.00 N ATOM 446 CA SER A 34 -0.211 23.352 -1.808 1.00 0.00 C ATOM 447 C SER A 34 -0.197 22.918 -0.345 1.00 0.00 C ATOM 448 O SER A 34 -0.526 21.776 -0.021 1.00 0.00 O ATOM 449 CB SER A 34 -1.172 24.528 -1.994 1.00 0.00 C ATOM 450 OG SER A 34 -0.552 25.753 -1.645 1.00 0.00 O ATOM 0 H SER A 34 -0.912 21.411 -2.179 1.00 0.00 H new ATOM 0 HA SER A 34 0.795 23.667 -2.085 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.506 24.568 -3.031 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.059 24.378 -1.379 1.00 0.00 H new ATOM 0 HG SER A 34 -1.186 26.489 -1.774 1.00 0.00 H new ATOM 456 N LEU A 35 0.185 23.837 0.534 1.00 0.00 N ATOM 457 CA LEU A 35 0.242 23.551 1.964 1.00 0.00 C ATOM 458 C LEU A 35 -0.870 24.280 2.710 1.00 0.00 C ATOM 459 O LEU A 35 -1.051 24.091 3.913 1.00 0.00 O ATOM 460 CB LEU A 35 1.604 23.957 2.531 1.00 0.00 C ATOM 461 CG LEU A 35 2.826 23.357 1.836 1.00 0.00 C ATOM 462 CD1 LEU A 35 4.029 24.277 1.983 1.00 0.00 C ATOM 463 CD2 LEU A 35 3.136 21.978 2.399 1.00 0.00 C ATOM 0 H LEU A 35 0.460 24.787 0.283 1.00 0.00 H new ATOM 0 HA LEU A 35 0.103 22.479 2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.684 25.043 2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.635 23.676 3.584 1.00 0.00 H new ATOM 0 HG LEU A 35 2.601 23.252 0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.890 23.834 1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.805 25.244 1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.255 24.414 3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.009 21.566 1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.340 22.058 3.467 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.281 21.320 2.242 1.00 0.00 H new ATOM 475 N ILE A 36 -1.614 25.112 1.988 1.00 0.00 N ATOM 476 CA ILE A 36 -2.710 25.867 2.581 1.00 0.00 C ATOM 477 C ILE A 36 -4.058 25.378 2.062 1.00 0.00 C ATOM 478 O ILE A 36 -4.235 25.116 0.872 1.00 0.00 O ATOM 479 CB ILE A 36 -2.578 27.374 2.292 1.00 0.00 C ATOM 480 CG1 ILE A 36 -1.264 27.911 2.863 1.00 0.00 C ATOM 481 CG2 ILE A 36 -3.763 28.130 2.873 1.00 0.00 C ATOM 482 CD1 ILE A 36 -0.999 27.471 4.286 1.00 0.00 C ATOM 0 H ILE A 36 -1.477 25.280 0.991 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.657 25.706 3.658 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.571 27.523 1.212 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.440 27.581 2.230 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.279 29.000 2.825 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.655 29.194 2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.685 27.762 2.424 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.799 27.977 3.952 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.051 27.889 4.625 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.803 27.824 4.932 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.952 26.383 4.328 1.00 0.00 H new ATOM 494 N PRO A 37 -5.033 25.252 2.974 1.00 0.00 N ATOM 495 CA PRO A 37 -4.834 25.560 4.393 1.00 0.00 C ATOM 496 C PRO A 37 -3.924 24.549 5.083 1.00 0.00 C ATOM 497 O PRO A 37 -3.944 23.361 4.763 1.00 0.00 O ATOM 498 CB PRO A 37 -6.249 25.489 4.974 1.00 0.00 C ATOM 499 CG PRO A 37 -6.989 24.576 4.058 1.00 0.00 C ATOM 500 CD PRO A 37 -6.406 24.799 2.690 1.00 0.00 C ATOM 0 HA PRO A 37 -4.348 26.525 4.536 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.239 25.104 5.994 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.712 26.475 5.010 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.874 23.537 4.366 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.057 24.795 4.068 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.413 23.885 2.096 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.968 25.547 2.131 1.00 0.00 H new ATOM 508 N VAL A 38 -3.127 25.029 6.033 1.00 0.00 N ATOM 509 CA VAL A 38 -2.211 24.167 6.770 1.00 0.00 C ATOM 510 C VAL A 38 -2.961 23.040 7.471 1.00 0.00 C ATOM 511 O VAL A 38 -4.127 23.188 7.835 1.00 0.00 O ATOM 512 CB VAL A 38 -1.410 24.964 7.816 1.00 0.00 C ATOM 513 CG1 VAL A 38 -2.301 25.362 8.983 1.00 0.00 C ATOM 514 CG2 VAL A 38 -0.214 24.157 8.299 1.00 0.00 C ATOM 0 H VAL A 38 -3.098 26.010 6.310 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.521 23.742 6.041 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.039 25.875 7.346 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.717 25.924 9.712 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.121 25.981 8.620 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.704 24.466 9.455 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.341 24.735 9.038 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.561 23.228 8.751 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.436 23.929 7.454 1.00 0.00 H new ATOM 524 N GLY A 39 -2.282 21.912 7.658 1.00 0.00 N ATOM 525 CA GLY A 39 -2.900 20.775 8.316 1.00 0.00 C ATOM 526 C GLY A 39 -2.131 19.488 8.093 1.00 0.00 C ATOM 527 O GLY A 39 -1.460 19.309 7.076 1.00 0.00 O ATOM 0 H GLY A 39 -1.316 21.765 7.366 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.970 20.972 9.386 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.918 20.655 7.947 1.00 0.00 H new ATOM 531 N PRO A 40 -2.221 18.565 9.062 1.00 0.00 N ATOM 532 CA PRO A 40 -1.534 17.272 8.990 1.00 0.00 C ATOM 533 C PRO A 40 -2.130 16.357 7.926 1.00 0.00 C ATOM 534 O PRO A 40 -2.946 16.787 7.110 1.00 0.00 O ATOM 535 CB PRO A 40 -1.746 16.680 10.385 1.00 0.00 C ATOM 536 CG PRO A 40 -2.991 17.326 10.886 1.00 0.00 C ATOM 537 CD PRO A 40 -3.002 18.712 10.301 1.00 0.00 C ATOM 0 HA PRO A 40 -0.485 17.382 8.714 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.852 15.596 10.343 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.899 16.892 11.038 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.873 16.765 10.577 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.001 17.362 11.975 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.017 19.055 10.098 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.550 19.437 10.977 1.00 0.00 H new ATOM 545 N ILE A 41 -1.718 15.094 7.941 1.00 0.00 N ATOM 546 CA ILE A 41 -2.214 14.118 6.978 1.00 0.00 C ATOM 547 C ILE A 41 -2.684 12.846 7.677 1.00 0.00 C ATOM 548 O ILE A 41 -2.051 12.374 8.621 1.00 0.00 O ATOM 549 CB ILE A 41 -1.135 13.752 5.942 1.00 0.00 C ATOM 550 CG1 ILE A 41 -0.603 15.014 5.260 1.00 0.00 C ATOM 551 CG2 ILE A 41 -1.697 12.783 4.912 1.00 0.00 C ATOM 552 CD1 ILE A 41 -1.590 15.647 4.305 1.00 0.00 C ATOM 0 H ILE A 41 -1.042 14.722 8.609 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.057 14.581 6.465 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.308 13.264 6.457 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.331 15.742 6.024 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.309 14.766 4.716 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.923 12.534 4.187 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.032 11.874 5.412 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.540 13.246 4.399 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.145 16.536 3.859 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.844 14.935 3.520 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.493 15.926 4.847 1.00 0.00 H new ATOM 564 N MET A 42 -3.797 12.296 7.205 1.00 0.00 N ATOM 565 CA MET A 42 -4.351 11.076 7.782 1.00 0.00 C ATOM 566 C MET A 42 -4.910 10.165 6.695 1.00 0.00 C ATOM 567 O MET A 42 -5.651 10.611 5.819 1.00 0.00 O ATOM 568 CB MET A 42 -5.448 11.417 8.792 1.00 0.00 C ATOM 569 CG MET A 42 -4.918 12.009 10.088 1.00 0.00 C ATOM 570 SD MET A 42 -6.115 11.918 11.434 1.00 0.00 S ATOM 571 CE MET A 42 -5.699 13.396 12.357 1.00 0.00 C ATOM 0 H MET A 42 -4.334 12.675 6.425 1.00 0.00 H new ATOM 0 HA MET A 42 -3.546 10.548 8.294 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.143 12.123 8.337 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.015 10.514 9.020 1.00 0.00 H new ATOM 0 HG2 MET A 42 -4.009 11.482 10.379 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.643 13.050 9.921 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.437 13.125 13.380 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.851 13.893 11.885 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.555 14.071 12.368 1.00 0.00 H new ATOM 581 N TRP A 43 -4.551 8.888 6.757 1.00 0.00 N ATOM 582 CA TRP A 43 -5.018 7.914 5.776 1.00 0.00 C ATOM 583 C TRP A 43 -6.183 7.101 6.328 1.00 0.00 C ATOM 584 O TRP A 43 -6.233 6.801 7.521 1.00 0.00 O ATOM 585 CB TRP A 43 -3.876 6.981 5.370 1.00 0.00 C ATOM 586 CG TRP A 43 -2.905 7.610 4.417 1.00 0.00 C ATOM 587 CD1 TRP A 43 -1.780 8.315 4.739 1.00 0.00 C ATOM 588 CD2 TRP A 43 -2.975 7.594 2.987 1.00 0.00 C ATOM 589 NE1 TRP A 43 -1.146 8.737 3.596 1.00 0.00 N ATOM 590 CE2 TRP A 43 -1.858 8.306 2.508 1.00 0.00 C ATOM 591 CE3 TRP A 43 -3.870 7.044 2.065 1.00 0.00 C ATOM 592 CZ2 TRP A 43 -1.617 8.484 1.148 1.00 0.00 C ATOM 593 CZ3 TRP A 43 -3.629 7.221 0.716 1.00 0.00 C ATOM 594 CH2 TRP A 43 -2.510 7.935 0.268 1.00 0.00 C ATOM 0 H TRP A 43 -3.938 8.502 7.476 1.00 0.00 H new ATOM 0 HA TRP A 43 -5.364 8.458 4.897 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.341 6.662 6.265 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.294 6.084 4.912 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.439 8.512 5.745 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.285 9.283 3.563 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.734 6.491 2.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.756 9.036 0.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.315 6.802 -0.005 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.349 8.055 -0.793 1.00 0.00 H new ATOM 605 N PHE A 44 -7.119 6.747 5.454 1.00 0.00 N ATOM 606 CA PHE A 44 -8.285 5.969 5.855 1.00 0.00 C ATOM 607 C PHE A 44 -8.730 5.037 4.732 1.00 0.00 C ATOM 608 O PHE A 44 -8.831 5.446 3.575 1.00 0.00 O ATOM 609 CB PHE A 44 -9.436 6.899 6.247 1.00 0.00 C ATOM 610 CG PHE A 44 -9.131 7.758 7.441 1.00 0.00 C ATOM 611 CD1 PHE A 44 -8.543 9.003 7.283 1.00 0.00 C ATOM 612 CD2 PHE A 44 -9.434 7.322 8.720 1.00 0.00 C ATOM 613 CE1 PHE A 44 -8.261 9.795 8.380 1.00 0.00 C ATOM 614 CE2 PHE A 44 -9.155 8.110 9.821 1.00 0.00 C ATOM 615 CZ PHE A 44 -8.569 9.349 9.651 1.00 0.00 C ATOM 0 H PHE A 44 -7.093 6.987 4.463 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.007 5.363 6.717 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.679 7.541 5.400 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.322 6.300 6.457 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -8.303 9.358 6.292 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -9.894 6.355 8.859 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -7.800 10.762 8.244 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -9.395 7.757 10.813 1.00 0.00 H new ATOM 0 HZ PHE A 44 -8.352 9.968 10.509 1.00 0.00 H new ATOM 625 N ARG A 45 -8.994 3.783 5.081 1.00 0.00 N ATOM 626 CA ARG A 45 -9.426 2.792 4.103 1.00 0.00 C ATOM 627 C ARG A 45 -10.881 2.395 4.338 1.00 0.00 C ATOM 628 O ARG A 45 -11.200 1.716 5.313 1.00 0.00 O ATOM 629 CB ARG A 45 -8.531 1.553 4.170 1.00 0.00 C ATOM 630 CG ARG A 45 -8.755 0.577 3.027 1.00 0.00 C ATOM 631 CD ARG A 45 -8.479 -0.856 3.456 1.00 0.00 C ATOM 632 NE ARG A 45 -9.056 -1.157 4.763 1.00 0.00 N ATOM 633 CZ ARG A 45 -10.338 -1.447 4.951 1.00 0.00 C ATOM 634 NH1 ARG A 45 -11.173 -1.475 3.921 1.00 0.00 N ATOM 635 NH2 ARG A 45 -10.788 -1.710 6.171 1.00 0.00 N ATOM 0 H ARG A 45 -8.916 3.429 6.034 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.344 3.237 3.112 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.488 1.868 4.168 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.707 1.039 5.115 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.782 0.660 2.672 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.107 0.839 2.191 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.887 -1.542 2.713 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.402 -1.024 3.488 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.440 -1.144 5.576 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.831 -1.273 2.981 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.157 -1.698 4.068 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.149 -1.690 6.966 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.773 -1.933 6.314 1.00 0.00 H new ATOM 649 N GLY A 46 -11.759 2.824 3.436 1.00 0.00 N ATOM 650 CA GLY A 46 -13.169 2.504 3.563 1.00 0.00 C ATOM 651 C GLY A 46 -14.019 3.728 3.839 1.00 0.00 C ATOM 652 O GLY A 46 -15.046 3.640 4.511 1.00 0.00 O ATOM 0 H GLY A 46 -11.519 3.387 2.620 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.514 2.025 2.646 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.303 1.783 4.369 1.00 0.00 H new ATOM 656 N ALA A 47 -13.588 4.874 3.322 1.00 0.00 N ATOM 657 CA ALA A 47 -14.317 6.122 3.516 1.00 0.00 C ATOM 658 C ALA A 47 -15.823 5.890 3.471 1.00 0.00 C ATOM 659 O ALA A 47 -16.313 5.077 2.688 1.00 0.00 O ATOM 660 CB ALA A 47 -13.906 7.142 2.465 1.00 0.00 C ATOM 0 H ALA A 47 -12.738 4.964 2.766 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.065 6.512 4.502 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.458 8.069 2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.837 7.338 2.547 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -14.128 6.751 1.472 1.00 0.00 H new ATOM 690 N ARG A 51 -14.690 3.677 7.505 1.00 0.00 N ATOM 691 CA ARG A 51 -13.274 3.569 7.176 1.00 0.00 C ATOM 692 C ARG A 51 -12.475 3.065 8.374 1.00 0.00 C ATOM 693 O ARG A 51 -13.033 2.804 9.439 1.00 0.00 O ATOM 694 CB ARG A 51 -12.729 4.924 6.721 1.00 0.00 C ATOM 695 CG ARG A 51 -12.740 5.983 7.811 1.00 0.00 C ATOM 696 CD ARG A 51 -13.932 6.916 7.670 1.00 0.00 C ATOM 697 NE ARG A 51 -13.692 7.965 6.682 1.00 0.00 N ATOM 698 CZ ARG A 51 -14.349 9.119 6.661 1.00 0.00 C ATOM 699 NH1 ARG A 51 -15.280 9.372 7.570 1.00 0.00 N ATOM 700 NH2 ARG A 51 -14.074 10.024 5.730 1.00 0.00 N ATOM 0 HA ARG A 51 -13.170 2.851 6.362 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.708 4.794 6.363 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -13.320 5.278 5.876 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.768 5.501 8.788 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.817 6.561 7.767 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.811 6.340 7.381 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -14.152 7.371 8.636 1.00 0.00 H new ATOM 0 HE ARG A 51 -12.981 7.802 5.969 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.493 8.680 8.288 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -15.783 10.259 7.552 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.357 9.834 5.030 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -14.579 10.910 5.715 1.00 0.00 H new ATOM 714 N GLU A 52 -11.165 2.929 8.191 1.00 0.00 N ATOM 715 CA GLU A 52 -10.290 2.454 9.257 1.00 0.00 C ATOM 716 C GLU A 52 -8.957 3.197 9.238 1.00 0.00 C ATOM 717 O GLU A 52 -8.105 2.945 8.385 1.00 0.00 O ATOM 718 CB GLU A 52 -10.050 0.949 9.118 1.00 0.00 C ATOM 719 CG GLU A 52 -9.244 0.353 10.259 1.00 0.00 C ATOM 720 CD GLU A 52 -9.409 -1.150 10.367 1.00 0.00 C ATOM 721 OE1 GLU A 52 -10.378 -1.596 11.017 1.00 0.00 O ATOM 722 OE2 GLU A 52 -8.569 -1.881 9.802 1.00 0.00 O ATOM 0 H GLU A 52 -10.687 3.141 7.315 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.782 2.649 10.210 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.012 0.440 9.060 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.531 0.758 8.179 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.190 0.590 10.116 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.551 0.817 11.197 1.00 0.00 H new ATOM 729 N LEU A 53 -8.784 4.113 10.184 1.00 0.00 N ATOM 730 CA LEU A 53 -7.555 4.894 10.278 1.00 0.00 C ATOM 731 C LEU A 53 -6.337 4.033 9.959 1.00 0.00 C ATOM 732 O LEU A 53 -6.088 3.024 10.621 1.00 0.00 O ATOM 733 CB LEU A 53 -7.416 5.497 11.677 1.00 0.00 C ATOM 734 CG LEU A 53 -6.214 6.416 11.895 1.00 0.00 C ATOM 735 CD1 LEU A 53 -6.318 7.650 11.012 1.00 0.00 C ATOM 736 CD2 LEU A 53 -6.105 6.814 13.359 1.00 0.00 C ATOM 0 H LEU A 53 -9.479 4.334 10.897 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.609 5.700 9.546 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.323 6.059 11.900 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.360 4.682 12.398 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.311 5.872 11.619 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.454 8.292 11.181 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.346 7.347 9.965 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.229 8.196 11.256 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.244 7.468 13.495 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.011 7.339 13.662 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.982 5.920 13.971 1.00 0.00 H new ATOM 748 N ILE A 54 -5.582 4.438 8.945 1.00 0.00 N ATOM 749 CA ILE A 54 -4.388 3.705 8.541 1.00 0.00 C ATOM 750 C ILE A 54 -3.128 4.358 9.098 1.00 0.00 C ATOM 751 O ILE A 54 -2.214 3.675 9.562 1.00 0.00 O ATOM 752 CB ILE A 54 -4.272 3.617 7.008 1.00 0.00 C ATOM 753 CG1 ILE A 54 -5.476 2.873 6.426 1.00 0.00 C ATOM 754 CG2 ILE A 54 -2.975 2.928 6.613 1.00 0.00 C ATOM 755 CD1 ILE A 54 -5.638 1.470 6.968 1.00 0.00 C ATOM 0 H ILE A 54 -5.775 5.270 8.387 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.484 2.698 8.948 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.261 4.628 6.601 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.381 3.442 6.637 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.374 2.826 5.342 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.908 2.874 5.526 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.129 3.495 7.001 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.957 1.920 7.028 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.511 1.002 6.512 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.749 0.885 6.734 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.771 1.511 8.049 1.00 0.00 H new ATOM 767 N TYR A 55 -3.085 5.685 9.051 1.00 0.00 N ATOM 768 CA TYR A 55 -1.937 6.431 9.550 1.00 0.00 C ATOM 769 C TYR A 55 -2.369 7.776 10.127 1.00 0.00 C ATOM 770 O TYR A 55 -3.411 8.316 9.757 1.00 0.00 O ATOM 771 CB TYR A 55 -0.917 6.649 8.431 1.00 0.00 C ATOM 772 CG TYR A 55 0.339 7.358 8.885 1.00 0.00 C ATOM 773 CD1 TYR A 55 1.261 6.721 9.706 1.00 0.00 C ATOM 774 CD2 TYR A 55 0.602 8.665 8.493 1.00 0.00 C ATOM 775 CE1 TYR A 55 2.410 7.366 10.124 1.00 0.00 C ATOM 776 CE2 TYR A 55 1.749 9.316 8.905 1.00 0.00 C ATOM 777 CZ TYR A 55 2.649 8.663 9.720 1.00 0.00 C ATOM 778 OH TYR A 55 3.792 9.309 10.134 1.00 0.00 O ATOM 0 H TYR A 55 -3.833 6.266 8.672 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.475 5.846 10.345 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.645 5.683 8.006 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.383 7.228 7.634 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.077 5.705 10.023 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.102 9.180 7.856 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.116 6.857 10.763 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.940 10.331 8.590 1.00 0.00 H new ATOM 0 HH TYR A 55 3.809 10.215 9.761 1.00 0.00 H new ATOM 788 N ASN A 56 -1.560 8.310 11.037 1.00 0.00 N ATOM 789 CA ASN A 56 -1.858 9.592 11.666 1.00 0.00 C ATOM 790 C ASN A 56 -0.580 10.386 11.914 1.00 0.00 C ATOM 791 O ASN A 56 0.227 10.030 12.772 1.00 0.00 O ATOM 792 CB ASN A 56 -2.602 9.375 12.986 1.00 0.00 C ATOM 793 CG ASN A 56 -2.768 10.660 13.773 1.00 0.00 C ATOM 794 OD1 ASN A 56 -2.566 10.688 14.987 1.00 0.00 O ATOM 795 ND2 ASN A 56 -3.139 11.732 13.084 1.00 0.00 N ATOM 0 H ASN A 56 -0.694 7.875 11.355 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.493 10.163 10.988 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.584 8.948 12.781 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.059 8.649 13.591 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.268 12.625 13.560 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.295 11.663 12.078 1.00 0.00 H new ATOM 802 N GLN A 57 -0.403 11.464 11.157 1.00 0.00 N ATOM 803 CA GLN A 57 0.777 12.309 11.295 1.00 0.00 C ATOM 804 C GLN A 57 0.882 12.871 12.708 1.00 0.00 C ATOM 805 O GLN A 57 1.936 12.796 13.341 1.00 0.00 O ATOM 806 CB GLN A 57 0.733 13.452 10.280 1.00 0.00 C ATOM 807 CG GLN A 57 2.072 14.147 10.087 1.00 0.00 C ATOM 808 CD GLN A 57 2.054 15.143 8.945 1.00 0.00 C ATOM 809 OE1 GLN A 57 0.989 15.549 8.477 1.00 0.00 O ATOM 810 NE2 GLN A 57 3.235 15.543 8.489 1.00 0.00 N ATOM 0 H GLN A 57 -1.062 11.773 10.442 1.00 0.00 H new ATOM 0 HA GLN A 57 1.657 11.695 11.102 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.394 13.062 9.320 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.005 14.186 10.604 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.346 14.661 11.008 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.842 13.398 9.899 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.092 15.181 8.906 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.285 16.213 7.721 1.00 0.00 H new ATOM 819 N LYS A 58 -0.217 13.435 13.199 1.00 0.00 N ATOM 820 CA LYS A 58 -0.250 14.009 14.538 1.00 0.00 C ATOM 821 C LYS A 58 0.393 13.067 15.551 1.00 0.00 C ATOM 822 O LYS A 58 1.437 13.377 16.124 1.00 0.00 O ATOM 823 CB LYS A 58 -1.693 14.311 14.950 1.00 0.00 C ATOM 824 CG LYS A 58 -1.810 14.977 16.310 1.00 0.00 C ATOM 825 CD LYS A 58 -3.074 15.813 16.414 1.00 0.00 C ATOM 826 CE LYS A 58 -2.873 17.203 15.829 1.00 0.00 C ATOM 827 NZ LYS A 58 -4.145 17.976 15.785 1.00 0.00 N ATOM 0 H LYS A 58 -1.097 13.506 12.688 1.00 0.00 H new ATOM 0 HA LYS A 58 0.319 14.938 14.522 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.149 14.955 14.199 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.261 13.381 14.960 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.811 14.216 17.090 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.939 15.609 16.483 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.888 15.311 15.890 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.371 15.897 17.459 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.139 17.745 16.425 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.465 17.118 14.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.966 18.917 15.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.837 17.472 15.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.522 18.080 16.749 1.00 0.00 H new ATOM 841 N GLU A 59 -0.237 11.916 15.764 1.00 0.00 N ATOM 842 CA GLU A 59 0.275 10.929 16.708 1.00 0.00 C ATOM 843 C GLU A 59 -0.002 9.511 16.216 1.00 0.00 C ATOM 844 O GLU A 59 -0.551 9.314 15.132 1.00 0.00 O ATOM 845 CB GLU A 59 -0.355 11.134 18.087 1.00 0.00 C ATOM 846 CG GLU A 59 -1.866 10.975 18.096 1.00 0.00 C ATOM 847 CD GLU A 59 -2.447 11.002 19.496 1.00 0.00 C ATOM 848 OE1 GLU A 59 -2.667 12.111 20.026 1.00 0.00 O ATOM 849 OE2 GLU A 59 -2.682 9.913 20.061 1.00 0.00 O ATOM 0 H GLU A 59 -1.102 11.644 15.296 1.00 0.00 H new ATOM 0 HA GLU A 59 1.354 11.064 16.786 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.081 10.420 18.786 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.101 12.130 18.449 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.315 11.773 17.505 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.131 10.034 17.615 1.00 0.00 H new ATOM 856 N GLY A 60 0.384 8.526 17.021 1.00 0.00 N ATOM 857 CA GLY A 60 0.170 7.139 16.651 1.00 0.00 C ATOM 858 C GLY A 60 1.460 6.430 16.290 1.00 0.00 C ATOM 859 O GLY A 60 2.248 6.930 15.487 1.00 0.00 O ATOM 0 H GLY A 60 0.841 8.664 17.922 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.310 6.615 17.478 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.515 7.093 15.805 1.00 0.00 H new ATOM 863 N HIS A 61 1.677 5.261 16.884 1.00 0.00 N ATOM 864 CA HIS A 61 2.882 4.482 16.621 1.00 0.00 C ATOM 865 C HIS A 61 2.621 3.422 15.556 1.00 0.00 C ATOM 866 O HIS A 61 2.121 2.337 15.854 1.00 0.00 O ATOM 867 CB HIS A 61 3.377 3.818 17.907 1.00 0.00 C ATOM 868 CG HIS A 61 4.807 3.378 17.842 1.00 0.00 C ATOM 869 ND1 HIS A 61 5.255 2.402 16.976 1.00 0.00 N ATOM 870 CD2 HIS A 61 5.892 3.786 18.540 1.00 0.00 C ATOM 871 CE1 HIS A 61 6.553 2.229 17.146 1.00 0.00 C ATOM 872 NE2 HIS A 61 6.964 3.057 18.089 1.00 0.00 N ATOM 0 H HIS A 61 1.035 4.832 17.550 1.00 0.00 H new ATOM 0 HA HIS A 61 3.651 5.161 16.253 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.258 4.516 18.736 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.749 2.954 18.125 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.911 4.544 19.309 1.00 0.00 H new ATOM 0 HE1 HIS A 61 7.173 1.529 16.606 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.923 3.141 18.427 1.00 0.00 H new ATOM 881 N PHE A 62 2.963 3.743 14.312 1.00 0.00 N ATOM 882 CA PHE A 62 2.764 2.819 13.202 1.00 0.00 C ATOM 883 C PHE A 62 4.101 2.404 12.593 1.00 0.00 C ATOM 884 O PHE A 62 4.685 3.113 11.774 1.00 0.00 O ATOM 885 CB PHE A 62 1.880 3.459 12.130 1.00 0.00 C ATOM 886 CG PHE A 62 0.488 3.766 12.605 1.00 0.00 C ATOM 887 CD1 PHE A 62 -0.474 2.770 12.661 1.00 0.00 C ATOM 888 CD2 PHE A 62 0.143 5.049 12.997 1.00 0.00 C ATOM 889 CE1 PHE A 62 -1.755 3.050 13.098 1.00 0.00 C ATOM 890 CE2 PHE A 62 -1.136 5.335 13.435 1.00 0.00 C ATOM 891 CZ PHE A 62 -2.086 4.334 13.486 1.00 0.00 C ATOM 0 H PHE A 62 3.379 4.636 14.048 1.00 0.00 H new ATOM 0 HA PHE A 62 2.268 1.928 13.588 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.349 4.381 11.786 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.823 2.791 11.271 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.220 1.764 12.360 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.883 5.835 12.960 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.497 2.266 13.136 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.392 6.340 13.737 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.086 4.555 13.829 1.00 0.00 H new ATOM 901 N PRO A 63 4.598 1.228 13.004 1.00 0.00 N ATOM 902 CA PRO A 63 5.870 0.692 12.512 1.00 0.00 C ATOM 903 C PRO A 63 5.793 0.261 11.052 1.00 0.00 C ATOM 904 O PRO A 63 6.741 0.448 10.289 1.00 0.00 O ATOM 905 CB PRO A 63 6.117 -0.520 13.415 1.00 0.00 C ATOM 906 CG PRO A 63 4.761 -0.935 13.871 1.00 0.00 C ATOM 907 CD PRO A 63 3.955 0.330 13.978 1.00 0.00 C ATOM 0 HA PRO A 63 6.666 1.436 12.546 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.615 -1.323 12.872 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.757 -0.261 14.259 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.307 -1.629 13.163 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.812 -1.448 14.832 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.906 0.160 13.736 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.986 0.742 14.986 1.00 0.00 H new ATOM 915 N ARG A 64 4.658 -0.316 10.669 1.00 0.00 N ATOM 916 CA ARG A 64 4.458 -0.774 9.300 1.00 0.00 C ATOM 917 C ARG A 64 4.506 0.397 8.323 1.00 0.00 C ATOM 918 O ARG A 64 5.157 0.323 7.280 1.00 0.00 O ATOM 919 CB ARG A 64 3.119 -1.503 9.174 1.00 0.00 C ATOM 920 CG ARG A 64 2.058 -0.998 10.137 1.00 0.00 C ATOM 921 CD ARG A 64 2.016 -1.832 11.408 1.00 0.00 C ATOM 922 NE ARG A 64 1.300 -3.090 11.215 1.00 0.00 N ATOM 923 CZ ARG A 64 0.711 -3.760 12.199 1.00 0.00 C ATOM 924 NH1 ARG A 64 0.754 -3.294 13.440 1.00 0.00 N ATOM 925 NH2 ARG A 64 0.078 -4.897 11.944 1.00 0.00 N ATOM 0 H ARG A 64 3.863 -0.477 11.288 1.00 0.00 H new ATOM 0 HA ARG A 64 5.264 -1.465 9.053 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.752 -1.396 8.153 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.277 -2.568 9.346 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.261 0.043 10.390 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.083 -1.024 9.651 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.034 -2.041 11.738 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.535 -1.260 12.201 1.00 0.00 H new ATOM 0 HE ARG A 64 1.249 -3.476 10.272 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.240 -2.420 13.640 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.301 -3.810 14.194 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.043 -5.258 10.991 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.374 -5.410 12.701 1.00 0.00 H new ATOM 939 N VAL A 65 3.811 1.476 8.666 1.00 0.00 N ATOM 940 CA VAL A 65 3.774 2.663 7.820 1.00 0.00 C ATOM 941 C VAL A 65 5.104 3.407 7.858 1.00 0.00 C ATOM 942 O VAL A 65 5.541 3.868 8.913 1.00 0.00 O ATOM 943 CB VAL A 65 2.649 3.624 8.249 1.00 0.00 C ATOM 944 CG1 VAL A 65 2.682 4.893 7.412 1.00 0.00 C ATOM 945 CG2 VAL A 65 1.295 2.939 8.141 1.00 0.00 C ATOM 0 H VAL A 65 3.265 1.553 9.524 1.00 0.00 H new ATOM 0 HA VAL A 65 3.581 2.320 6.803 1.00 0.00 H new ATOM 0 HB VAL A 65 2.809 3.901 9.291 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.880 5.559 7.730 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.642 5.392 7.545 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.548 4.639 6.361 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.511 3.632 8.448 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.124 2.631 7.109 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.278 2.062 8.788 1.00 0.00 H new ATOM 955 N THR A 66 5.746 3.520 6.700 1.00 0.00 N ATOM 956 CA THR A 66 7.027 4.208 6.600 1.00 0.00 C ATOM 957 C THR A 66 6.962 5.350 5.592 1.00 0.00 C ATOM 958 O THR A 66 6.952 5.124 4.382 1.00 0.00 O ATOM 959 CB THR A 66 8.153 3.240 6.189 1.00 0.00 C ATOM 960 OG1 THR A 66 8.297 2.209 7.173 1.00 0.00 O ATOM 961 CG2 THR A 66 9.472 3.981 6.027 1.00 0.00 C ATOM 0 H THR A 66 5.400 3.144 5.818 1.00 0.00 H new ATOM 0 HA THR A 66 7.246 4.612 7.588 1.00 0.00 H new ATOM 0 HB THR A 66 7.886 2.793 5.232 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.013 1.597 6.903 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.252 3.277 5.737 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.368 4.745 5.257 1.00 0.00 H new ATOM 0 HG23 THR A 66 9.743 4.453 6.972 1.00 0.00 H new ATOM 969 N THR A 67 6.918 6.578 6.099 1.00 0.00 N ATOM 970 CA THR A 67 6.853 7.756 5.243 1.00 0.00 C ATOM 971 C THR A 67 7.977 7.750 4.214 1.00 0.00 C ATOM 972 O THR A 67 9.129 7.463 4.539 1.00 0.00 O ATOM 973 CB THR A 67 6.934 9.054 6.068 1.00 0.00 C ATOM 974 OG1 THR A 67 8.084 9.023 6.920 1.00 0.00 O ATOM 975 CG2 THR A 67 5.679 9.241 6.908 1.00 0.00 C ATOM 0 H THR A 67 6.926 6.783 7.098 1.00 0.00 H new ATOM 0 HA THR A 67 5.893 7.721 4.728 1.00 0.00 H new ATOM 0 HB THR A 67 7.018 9.892 5.377 1.00 0.00 H new ATOM 0 HG1 THR A 67 8.129 9.853 7.440 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.759 10.164 7.482 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.808 9.295 6.254 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.569 8.398 7.590 1.00 0.00 H new ATOM 983 N VAL A 68 7.635 8.070 2.969 1.00 0.00 N ATOM 984 CA VAL A 68 8.616 8.103 1.892 1.00 0.00 C ATOM 985 C VAL A 68 9.366 9.430 1.872 1.00 0.00 C ATOM 986 O VAL A 68 10.589 9.463 1.737 1.00 0.00 O ATOM 987 CB VAL A 68 7.952 7.881 0.520 1.00 0.00 C ATOM 988 CG1 VAL A 68 8.984 7.968 -0.594 1.00 0.00 C ATOM 989 CG2 VAL A 68 7.232 6.541 0.488 1.00 0.00 C ATOM 0 H VAL A 68 6.686 8.310 2.683 1.00 0.00 H new ATOM 0 HA VAL A 68 9.321 7.293 2.082 1.00 0.00 H new ATOM 0 HB VAL A 68 7.215 8.668 0.361 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.496 7.809 -1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.450 8.953 -0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.747 7.204 -0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.768 6.400 -0.488 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.948 5.739 0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.463 6.522 1.261 1.00 0.00 H new ATOM 999 N SER A 69 8.624 10.525 2.007 1.00 0.00 N ATOM 1000 CA SER A 69 9.217 11.857 2.001 1.00 0.00 C ATOM 1001 C SER A 69 9.467 12.346 3.425 1.00 0.00 C ATOM 1002 O SER A 69 8.946 11.782 4.386 1.00 0.00 O ATOM 1003 CB SER A 69 8.307 12.841 1.263 1.00 0.00 C ATOM 1004 OG SER A 69 7.191 13.198 2.059 1.00 0.00 O ATOM 0 H SER A 69 7.611 10.515 2.122 1.00 0.00 H new ATOM 0 HA SER A 69 10.174 11.800 1.482 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.871 13.736 1.000 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.964 12.394 0.330 1.00 0.00 H new ATOM 0 HG SER A 69 6.663 13.881 1.595 1.00 0.00 H new ATOM 1010 N GLU A 70 10.267 13.401 3.549 1.00 0.00 N ATOM 1011 CA GLU A 70 10.586 13.966 4.855 1.00 0.00 C ATOM 1012 C GLU A 70 9.541 14.997 5.272 1.00 0.00 C ATOM 1013 O GLU A 70 9.348 16.010 4.597 1.00 0.00 O ATOM 1014 CB GLU A 70 11.974 14.611 4.831 1.00 0.00 C ATOM 1015 CG GLU A 70 12.678 14.590 6.177 1.00 0.00 C ATOM 1016 CD GLU A 70 12.680 13.214 6.813 1.00 0.00 C ATOM 1017 OE1 GLU A 70 12.933 12.227 6.092 1.00 0.00 O ATOM 1018 OE2 GLU A 70 12.429 13.125 8.033 1.00 0.00 O ATOM 0 H GLU A 70 10.705 13.881 2.763 1.00 0.00 H new ATOM 0 HA GLU A 70 10.582 13.155 5.584 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.593 14.093 4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.880 15.644 4.496 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.706 14.929 6.050 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.190 15.296 6.849 1.00 0.00 H new ATOM 1025 N LEU A 71 8.869 14.732 6.387 1.00 0.00 N ATOM 1026 CA LEU A 71 7.843 15.636 6.894 1.00 0.00 C ATOM 1027 C LEU A 71 8.461 16.735 7.753 1.00 0.00 C ATOM 1028 O LEU A 71 8.170 17.918 7.573 1.00 0.00 O ATOM 1029 CB LEU A 71 6.808 14.858 7.709 1.00 0.00 C ATOM 1030 CG LEU A 71 6.219 13.618 7.036 1.00 0.00 C ATOM 1031 CD1 LEU A 71 5.375 12.826 8.022 1.00 0.00 C ATOM 1032 CD2 LEU A 71 5.393 14.012 5.820 1.00 0.00 C ATOM 0 H LEU A 71 9.016 13.899 6.957 1.00 0.00 H new ATOM 0 HA LEU A 71 7.350 16.101 6.041 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.269 14.553 8.648 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.990 15.534 7.960 1.00 0.00 H new ATOM 0 HG LEU A 71 7.041 12.985 6.702 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.964 11.947 7.525 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.995 12.512 8.861 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.560 13.451 8.387 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.982 13.117 5.354 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.578 14.666 6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.026 14.535 5.104 1.00 0.00 H new ATOM 1118 N ASN A 76 7.228 20.576 2.671 1.00 0.00 N ATOM 1119 CA ASN A 76 7.139 19.314 1.945 1.00 0.00 C ATOM 1120 C ASN A 76 5.688 18.981 1.610 1.00 0.00 C ATOM 1121 O ASN A 76 4.859 18.801 2.503 1.00 0.00 O ATOM 1122 CB ASN A 76 7.757 18.183 2.768 1.00 0.00 C ATOM 1123 CG ASN A 76 7.290 16.814 2.312 1.00 0.00 C ATOM 1124 OD1 ASN A 76 7.712 16.319 1.267 1.00 0.00 O ATOM 1125 ND2 ASN A 76 6.415 16.196 3.096 1.00 0.00 N ATOM 0 HA ASN A 76 7.694 19.420 1.013 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.843 18.236 2.695 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.501 18.320 3.819 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.065 15.273 2.841 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.093 16.645 3.953 1.00 0.00 H new ATOM 1132 N LEU A 77 5.388 18.899 0.319 1.00 0.00 N ATOM 1133 CA LEU A 77 4.037 18.586 -0.135 1.00 0.00 C ATOM 1134 C LEU A 77 3.830 17.078 -0.228 1.00 0.00 C ATOM 1135 O LEU A 77 2.748 16.571 0.068 1.00 0.00 O ATOM 1136 CB LEU A 77 3.772 19.234 -1.495 1.00 0.00 C ATOM 1137 CG LEU A 77 3.325 20.696 -1.467 1.00 0.00 C ATOM 1138 CD1 LEU A 77 3.445 21.318 -2.849 1.00 0.00 C ATOM 1139 CD2 LEU A 77 1.898 20.808 -0.951 1.00 0.00 C ATOM 0 H LEU A 77 6.062 19.045 -0.433 1.00 0.00 H new ATOM 0 HA LEU A 77 3.333 18.986 0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.682 19.165 -2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.008 18.651 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 77 3.979 21.243 -0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.122 22.358 -2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.483 21.272 -3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.816 20.770 -3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.597 21.856 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.230 20.246 -1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.843 20.402 0.059 1.00 0.00 H new ATOM 1151 N ASP A 78 4.874 16.367 -0.639 1.00 0.00 N ATOM 1152 CA ASP A 78 4.807 14.916 -0.768 1.00 0.00 C ATOM 1153 C ASP A 78 4.377 14.273 0.547 1.00 0.00 C ATOM 1154 O ASP A 78 4.977 14.515 1.594 1.00 0.00 O ATOM 1155 CB ASP A 78 6.164 14.358 -1.202 1.00 0.00 C ATOM 1156 CG ASP A 78 6.035 13.063 -1.980 1.00 0.00 C ATOM 1157 OD1 ASP A 78 4.991 12.866 -2.636 1.00 0.00 O ATOM 1158 OD2 ASP A 78 6.979 12.248 -1.933 1.00 0.00 O ATOM 0 H ASP A 78 5.777 16.772 -0.888 1.00 0.00 H new ATOM 0 HA ASP A 78 4.064 14.678 -1.529 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.678 15.098 -1.816 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.783 14.189 -0.321 1.00 0.00 H new ATOM 1163 N PHE A 79 3.333 13.453 0.484 1.00 0.00 N ATOM 1164 CA PHE A 79 2.820 12.776 1.670 1.00 0.00 C ATOM 1165 C PHE A 79 2.560 11.300 1.384 1.00 0.00 C ATOM 1166 O PHE A 79 1.585 10.725 1.870 1.00 0.00 O ATOM 1167 CB PHE A 79 1.533 13.449 2.151 1.00 0.00 C ATOM 1168 CG PHE A 79 1.751 14.821 2.723 1.00 0.00 C ATOM 1169 CD1 PHE A 79 2.483 14.992 3.887 1.00 0.00 C ATOM 1170 CD2 PHE A 79 1.224 15.939 2.097 1.00 0.00 C ATOM 1171 CE1 PHE A 79 2.684 16.252 4.416 1.00 0.00 C ATOM 1172 CE2 PHE A 79 1.422 17.202 2.622 1.00 0.00 C ATOM 1173 CZ PHE A 79 2.154 17.359 3.782 1.00 0.00 C ATOM 0 H PHE A 79 2.826 13.241 -0.375 1.00 0.00 H new ATOM 0 HA PHE A 79 3.574 12.848 2.454 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.835 13.519 1.317 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.064 12.819 2.907 1.00 0.00 H new ATOM 0 HD1 PHE A 79 2.901 14.130 4.386 1.00 0.00 H new ATOM 0 HD2 PHE A 79 0.652 15.822 1.188 1.00 0.00 H new ATOM 0 HE1 PHE A 79 3.255 16.372 5.325 1.00 0.00 H new ATOM 0 HE2 PHE A 79 1.005 18.065 2.125 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.312 18.345 4.193 1.00 0.00 H new ATOM 1183 N SER A 80 3.438 10.693 0.592 1.00 0.00 N ATOM 1184 CA SER A 80 3.301 9.286 0.237 1.00 0.00 C ATOM 1185 C SER A 80 3.869 8.391 1.335 1.00 0.00 C ATOM 1186 O SER A 80 4.965 8.631 1.842 1.00 0.00 O ATOM 1187 CB SER A 80 4.013 9.000 -1.087 1.00 0.00 C ATOM 1188 OG SER A 80 5.409 9.209 -0.971 1.00 0.00 O ATOM 0 H SER A 80 4.252 11.154 0.184 1.00 0.00 H new ATOM 0 HA SER A 80 2.239 9.067 0.126 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.820 7.972 -1.392 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.609 9.645 -1.867 1.00 0.00 H new ATOM 0 HG SER A 80 5.841 9.018 -1.830 1.00 0.00 H new ATOM 1194 N ILE A 81 3.114 7.359 1.698 1.00 0.00 N ATOM 1195 CA ILE A 81 3.542 6.428 2.734 1.00 0.00 C ATOM 1196 C ILE A 81 3.619 5.003 2.196 1.00 0.00 C ATOM 1197 O ILE A 81 2.991 4.674 1.189 1.00 0.00 O ATOM 1198 CB ILE A 81 2.589 6.456 3.944 1.00 0.00 C ATOM 1199 CG1 ILE A 81 1.142 6.267 3.486 1.00 0.00 C ATOM 1200 CG2 ILE A 81 2.743 7.763 4.708 1.00 0.00 C ATOM 1201 CD1 ILE A 81 0.243 5.679 4.552 1.00 0.00 C ATOM 0 H ILE A 81 2.204 7.147 1.290 1.00 0.00 H new ATOM 0 HA ILE A 81 4.534 6.747 3.054 1.00 0.00 H new ATOM 0 HB ILE A 81 2.848 5.634 4.612 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.739 7.231 3.173 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.128 5.617 2.611 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.063 7.769 5.560 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.770 7.859 5.062 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.506 8.599 4.050 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.768 5.573 4.158 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.622 4.701 4.848 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.227 6.339 5.419 1.00 0.00 H new ATOM 1213 N SER A 82 4.391 4.161 2.874 1.00 0.00 N ATOM 1214 CA SER A 82 4.552 2.771 2.463 1.00 0.00 C ATOM 1215 C SER A 82 4.200 1.822 3.606 1.00 0.00 C ATOM 1216 O SER A 82 4.819 1.859 4.670 1.00 0.00 O ATOM 1217 CB SER A 82 5.987 2.517 1.998 1.00 0.00 C ATOM 1218 OG SER A 82 6.030 1.504 1.008 1.00 0.00 O ATOM 0 H SER A 82 4.915 4.417 3.711 1.00 0.00 H new ATOM 0 HA SER A 82 3.870 2.582 1.634 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.412 3.438 1.599 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.602 2.225 2.849 1.00 0.00 H new ATOM 0 HG SER A 82 6.958 1.361 0.726 1.00 0.00 H new ATOM 1224 N ILE A 83 3.204 0.974 3.377 1.00 0.00 N ATOM 1225 CA ILE A 83 2.771 0.015 4.385 1.00 0.00 C ATOM 1226 C ILE A 83 3.417 -1.348 4.161 1.00 0.00 C ATOM 1227 O ILE A 83 2.976 -2.123 3.312 1.00 0.00 O ATOM 1228 CB ILE A 83 1.239 -0.149 4.385 1.00 0.00 C ATOM 1229 CG1 ILE A 83 0.558 1.215 4.516 1.00 0.00 C ATOM 1230 CG2 ILE A 83 0.805 -1.074 5.512 1.00 0.00 C ATOM 1231 CD1 ILE A 83 -0.940 1.165 4.311 1.00 0.00 C ATOM 0 H ILE A 83 2.681 0.931 2.502 1.00 0.00 H new ATOM 0 HA ILE A 83 3.086 0.409 5.351 1.00 0.00 H new ATOM 0 HB ILE A 83 0.936 -0.596 3.438 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.768 1.623 5.505 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.993 1.901 3.789 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.280 -1.180 5.499 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.267 -2.052 5.378 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.117 -0.654 6.468 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.356 2.167 4.418 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.158 0.787 3.312 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.387 0.505 5.054 1.00 0.00 H new ATOM 1243 N SER A 84 4.462 -1.634 4.930 1.00 0.00 N ATOM 1244 CA SER A 84 5.171 -2.904 4.814 1.00 0.00 C ATOM 1245 C SER A 84 4.373 -4.032 5.462 1.00 0.00 C ATOM 1246 O SER A 84 3.477 -3.789 6.268 1.00 0.00 O ATOM 1247 CB SER A 84 6.552 -2.802 5.465 1.00 0.00 C ATOM 1248 OG SER A 84 7.142 -4.082 5.611 1.00 0.00 O ATOM 0 H SER A 84 4.837 -1.005 5.640 1.00 0.00 H new ATOM 0 HA SER A 84 5.292 -3.130 3.755 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.198 -2.167 4.858 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.463 -2.325 6.441 1.00 0.00 H new ATOM 0 HG SER A 84 8.024 -3.990 6.028 1.00 0.00 H new ATOM 1254 N ASN A 85 4.708 -5.267 5.101 1.00 0.00 N ATOM 1255 CA ASN A 85 4.023 -6.434 5.646 1.00 0.00 C ATOM 1256 C ASN A 85 2.548 -6.430 5.256 1.00 0.00 C ATOM 1257 O ASN A 85 1.677 -6.696 6.085 1.00 0.00 O ATOM 1258 CB ASN A 85 4.160 -6.467 7.169 1.00 0.00 C ATOM 1259 CG ASN A 85 4.076 -7.874 7.727 1.00 0.00 C ATOM 1260 OD1 ASN A 85 4.955 -8.702 7.488 1.00 0.00 O ATOM 1261 ND2 ASN A 85 3.014 -8.151 8.475 1.00 0.00 N ATOM 0 H ASN A 85 5.449 -5.485 4.434 1.00 0.00 H new ATOM 0 HA ASN A 85 4.489 -7.326 5.227 1.00 0.00 H new ATOM 0 HB2 ASN A 85 5.113 -6.022 7.455 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.376 -5.855 7.615 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.902 -9.082 8.878 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.310 -7.433 8.647 1.00 0.00 H new ATOM 1268 N ILE A 86 2.277 -6.127 3.991 1.00 0.00 N ATOM 1269 CA ILE A 86 0.908 -6.091 3.492 1.00 0.00 C ATOM 1270 C ILE A 86 0.185 -7.404 3.773 1.00 0.00 C ATOM 1271 O ILE A 86 0.796 -8.473 3.779 1.00 0.00 O ATOM 1272 CB ILE A 86 0.868 -5.809 1.979 1.00 0.00 C ATOM 1273 CG1 ILE A 86 1.237 -4.351 1.699 1.00 0.00 C ATOM 1274 CG2 ILE A 86 -0.509 -6.129 1.416 1.00 0.00 C ATOM 1275 CD1 ILE A 86 0.154 -3.368 2.084 1.00 0.00 C ATOM 0 H ILE A 86 2.987 -5.903 3.293 1.00 0.00 H new ATOM 0 HA ILE A 86 0.402 -5.281 4.018 1.00 0.00 H new ATOM 0 HB ILE A 86 1.599 -6.450 1.486 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.149 -4.105 2.242 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.458 -4.238 0.638 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.521 -5.924 0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.736 -7.181 1.587 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.257 -5.511 1.912 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.485 -2.355 1.857 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.753 -3.588 1.522 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.051 -3.452 3.151 1.00 0.00 H new ATOM 1287 N THR A 87 -1.122 -7.316 4.003 1.00 0.00 N ATOM 1288 CA THR A 87 -1.929 -8.497 4.284 1.00 0.00 C ATOM 1289 C THR A 87 -3.171 -8.536 3.401 1.00 0.00 C ATOM 1290 O THR A 87 -3.689 -7.506 2.971 1.00 0.00 O ATOM 1291 CB THR A 87 -2.362 -8.543 5.761 1.00 0.00 C ATOM 1292 OG1 THR A 87 -3.068 -7.345 6.103 1.00 0.00 O ATOM 1293 CG2 THR A 87 -1.155 -8.704 6.674 1.00 0.00 C ATOM 0 H THR A 87 -1.644 -6.439 4.000 1.00 0.00 H new ATOM 0 HA THR A 87 -1.305 -9.365 4.069 1.00 0.00 H new ATOM 0 HB THR A 87 -3.019 -9.402 5.897 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.447 -6.587 6.098 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.486 -8.734 7.712 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.636 -9.632 6.431 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.477 -7.862 6.533 1.00 0.00 H new ATOM 1301 N PRO A 88 -3.662 -9.753 3.123 1.00 0.00 N ATOM 1302 CA PRO A 88 -4.850 -9.956 2.289 1.00 0.00 C ATOM 1303 C PRO A 88 -6.128 -9.490 2.979 1.00 0.00 C ATOM 1304 O PRO A 88 -7.222 -9.617 2.430 1.00 0.00 O ATOM 1305 CB PRO A 88 -4.880 -11.471 2.076 1.00 0.00 C ATOM 1306 CG PRO A 88 -4.153 -12.033 3.249 1.00 0.00 C ATOM 1307 CD PRO A 88 -3.095 -11.025 3.602 1.00 0.00 C ATOM 0 HA PRO A 88 -4.801 -9.383 1.363 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -5.903 -11.844 2.029 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.396 -11.749 1.140 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.831 -12.197 4.087 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.707 -12.998 3.006 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.905 -11.001 4.675 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.146 -11.251 3.115 1.00 0.00 H new ATOM 1315 N ALA A 89 -5.982 -8.948 4.183 1.00 0.00 N ATOM 1316 CA ALA A 89 -7.124 -8.461 4.946 1.00 0.00 C ATOM 1317 C ALA A 89 -7.092 -6.942 5.073 1.00 0.00 C ATOM 1318 O ALA A 89 -7.949 -6.345 5.725 1.00 0.00 O ATOM 1319 CB ALA A 89 -7.154 -9.107 6.323 1.00 0.00 C ATOM 0 H ALA A 89 -5.083 -8.835 4.651 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.032 -8.736 4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.012 -8.734 6.881 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.234 -10.189 6.216 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.238 -8.862 6.860 1.00 0.00 H new ATOM 1325 N ASP A 90 -6.098 -6.322 4.447 1.00 0.00 N ATOM 1326 CA ASP A 90 -5.954 -4.871 4.489 1.00 0.00 C ATOM 1327 C ASP A 90 -6.402 -4.242 3.174 1.00 0.00 C ATOM 1328 O ASP A 90 -6.690 -3.047 3.112 1.00 0.00 O ATOM 1329 CB ASP A 90 -4.502 -4.489 4.783 1.00 0.00 C ATOM 1330 CG ASP A 90 -4.210 -4.427 6.269 1.00 0.00 C ATOM 1331 OD1 ASP A 90 -5.023 -3.836 7.010 1.00 0.00 O ATOM 1332 OD2 ASP A 90 -3.167 -4.969 6.692 1.00 0.00 O ATOM 0 H ASP A 90 -5.380 -6.801 3.904 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.590 -4.491 5.288 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.837 -5.214 4.315 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.286 -3.520 4.332 1.00 0.00 H new ATOM 1337 N ALA A 91 -6.457 -5.054 2.124 1.00 0.00 N ATOM 1338 CA ALA A 91 -6.871 -4.577 0.810 1.00 0.00 C ATOM 1339 C ALA A 91 -8.138 -3.735 0.905 1.00 0.00 C ATOM 1340 O ALA A 91 -8.768 -3.660 1.960 1.00 0.00 O ATOM 1341 CB ALA A 91 -7.085 -5.751 -0.134 1.00 0.00 C ATOM 0 H ALA A 91 -6.220 -6.046 2.157 1.00 0.00 H new ATOM 0 HA ALA A 91 -6.076 -3.946 0.413 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.394 -5.380 -1.111 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.155 -6.311 -0.235 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.860 -6.404 0.268 1.00 0.00 H new ATOM 1347 N GLY A 92 -8.507 -3.101 -0.204 1.00 0.00 N ATOM 1348 CA GLY A 92 -9.697 -2.271 -0.223 1.00 0.00 C ATOM 1349 C GLY A 92 -9.497 -0.986 -1.002 1.00 0.00 C ATOM 1350 O GLY A 92 -9.346 -1.009 -2.224 1.00 0.00 O ATOM 0 H GLY A 92 -8.003 -3.148 -1.089 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.521 -2.833 -0.662 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.985 -2.030 0.801 1.00 0.00 H new ATOM 1354 N THR A 93 -9.496 0.139 -0.295 1.00 0.00 N ATOM 1355 CA THR A 93 -9.315 1.440 -0.928 1.00 0.00 C ATOM 1356 C THR A 93 -8.899 2.494 0.091 1.00 0.00 C ATOM 1357 O THR A 93 -9.678 2.863 0.971 1.00 0.00 O ATOM 1358 CB THR A 93 -10.602 1.904 -1.635 1.00 0.00 C ATOM 1359 OG1 THR A 93 -11.105 0.859 -2.475 1.00 0.00 O ATOM 1360 CG2 THR A 93 -10.343 3.151 -2.467 1.00 0.00 C ATOM 0 H THR A 93 -9.619 0.176 0.717 1.00 0.00 H new ATOM 0 HA THR A 93 -8.524 1.324 -1.669 1.00 0.00 H new ATOM 0 HB THR A 93 -11.343 2.143 -0.872 1.00 0.00 H new ATOM 0 HG1 THR A 93 -10.368 0.271 -2.743 1.00 0.00 H new ATOM 0 HG21 THR A 93 -11.266 3.460 -2.957 1.00 0.00 H new ATOM 0 HG22 THR A 93 -9.990 3.954 -1.819 1.00 0.00 H new ATOM 0 HG23 THR A 93 -9.587 2.934 -3.222 1.00 0.00 H new ATOM 1368 N TYR A 94 -7.668 2.978 -0.034 1.00 0.00 N ATOM 1369 CA TYR A 94 -7.148 3.990 0.878 1.00 0.00 C ATOM 1370 C TYR A 94 -7.337 5.390 0.303 1.00 0.00 C ATOM 1371 O TYR A 94 -6.847 5.698 -0.784 1.00 0.00 O ATOM 1372 CB TYR A 94 -5.666 3.738 1.161 1.00 0.00 C ATOM 1373 CG TYR A 94 -5.395 2.413 1.838 1.00 0.00 C ATOM 1374 CD1 TYR A 94 -5.733 1.215 1.222 1.00 0.00 C ATOM 1375 CD2 TYR A 94 -4.803 2.361 3.094 1.00 0.00 C ATOM 1376 CE1 TYR A 94 -5.488 0.002 1.837 1.00 0.00 C ATOM 1377 CE2 TYR A 94 -4.553 1.152 3.715 1.00 0.00 C ATOM 1378 CZ TYR A 94 -4.897 -0.024 3.083 1.00 0.00 C ATOM 1379 OH TYR A 94 -4.651 -1.229 3.699 1.00 0.00 O ATOM 0 H TYR A 94 -7.012 2.686 -0.758 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.706 3.922 1.812 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.114 3.776 0.222 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.283 4.542 1.789 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.195 1.232 0.246 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.534 3.280 3.593 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.758 -0.921 1.345 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.090 1.129 4.691 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.364 -1.863 3.474 1.00 0.00 H new ATOM 1389 N TYR A 95 -8.051 6.234 1.040 1.00 0.00 N ATOM 1390 CA TYR A 95 -8.307 7.601 0.604 1.00 0.00 C ATOM 1391 C TYR A 95 -7.471 8.594 1.405 1.00 0.00 C ATOM 1392 O TYR A 95 -7.679 8.773 2.606 1.00 0.00 O ATOM 1393 CB TYR A 95 -9.793 7.935 0.748 1.00 0.00 C ATOM 1394 CG TYR A 95 -10.708 6.898 0.138 1.00 0.00 C ATOM 1395 CD1 TYR A 95 -11.041 5.741 0.833 1.00 0.00 C ATOM 1396 CD2 TYR A 95 -11.242 7.075 -1.132 1.00 0.00 C ATOM 1397 CE1 TYR A 95 -11.876 4.791 0.279 1.00 0.00 C ATOM 1398 CE2 TYR A 95 -12.079 6.130 -1.694 1.00 0.00 C ATOM 1399 CZ TYR A 95 -12.393 4.990 -0.984 1.00 0.00 C ATOM 1400 OH TYR A 95 -13.227 4.046 -1.539 1.00 0.00 O ATOM 0 H TYR A 95 -8.463 5.995 1.942 1.00 0.00 H new ATOM 0 HA TYR A 95 -8.024 7.679 -0.446 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -10.032 8.041 1.806 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -9.987 8.900 0.279 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.640 5.582 1.823 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.999 7.967 -1.690 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -12.123 3.897 0.832 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.485 6.283 -2.683 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.504 4.339 -2.432 1.00 0.00 H new ATOM 1410 N CYS A 96 -6.523 9.239 0.732 1.00 0.00 N ATOM 1411 CA CYS A 96 -5.655 10.215 1.379 1.00 0.00 C ATOM 1412 C CYS A 96 -6.449 11.439 1.824 1.00 0.00 C ATOM 1413 O CYS A 96 -6.756 12.320 1.020 1.00 0.00 O ATOM 1414 CB CYS A 96 -4.532 10.638 0.429 1.00 0.00 C ATOM 1415 SG CYS A 96 -3.011 11.183 1.271 1.00 0.00 S ATOM 0 H CYS A 96 -6.337 9.103 -0.262 1.00 0.00 H new ATOM 0 HA CYS A 96 -5.218 9.748 2.262 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -4.291 9.802 -0.227 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -4.893 11.447 -0.206 1.00 0.00 H new ATOM 1420 N VAL A 97 -6.778 11.489 3.111 1.00 0.00 N ATOM 1421 CA VAL A 97 -7.535 12.605 3.664 1.00 0.00 C ATOM 1422 C VAL A 97 -6.606 13.722 4.128 1.00 0.00 C ATOM 1423 O VAL A 97 -5.689 13.495 4.917 1.00 0.00 O ATOM 1424 CB VAL A 97 -8.412 12.157 4.848 1.00 0.00 C ATOM 1425 CG1 VAL A 97 -9.139 13.347 5.455 1.00 0.00 C ATOM 1426 CG2 VAL A 97 -9.400 11.089 4.404 1.00 0.00 C ATOM 0 H VAL A 97 -6.532 10.769 3.790 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.178 12.978 2.866 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.766 11.727 5.614 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -9.754 13.011 6.290 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.411 14.076 5.811 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.775 13.809 4.700 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -10.012 10.784 5.253 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.042 11.491 3.620 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.855 10.226 4.021 1.00 0.00 H new ATOM 1436 N LYS A 98 -6.851 14.931 3.634 1.00 0.00 N ATOM 1437 CA LYS A 98 -6.039 16.086 3.998 1.00 0.00 C ATOM 1438 C LYS A 98 -6.707 16.893 5.107 1.00 0.00 C ATOM 1439 O LYS A 98 -7.553 17.747 4.843 1.00 0.00 O ATOM 1440 CB LYS A 98 -5.805 16.976 2.776 1.00 0.00 C ATOM 1441 CG LYS A 98 -5.251 18.348 3.120 1.00 0.00 C ATOM 1442 CD LYS A 98 -3.823 18.261 3.632 1.00 0.00 C ATOM 1443 CE LYS A 98 -3.517 19.375 4.621 1.00 0.00 C ATOM 1444 NZ LYS A 98 -3.139 20.640 3.933 1.00 0.00 N ATOM 0 H LYS A 98 -7.606 15.136 2.980 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.079 15.723 4.365 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.114 16.474 2.098 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.746 17.097 2.240 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.284 18.986 2.237 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.881 18.817 3.876 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.665 17.295 4.111 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.130 18.318 2.792 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.389 19.551 5.251 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.706 19.063 5.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.594 21.240 4.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.560 20.421 3.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.999 21.144 3.636 1.00 0.00 H new ATOM 1458 N PHE A 99 -6.320 16.617 6.348 1.00 0.00 N ATOM 1459 CA PHE A 99 -6.882 17.318 7.497 1.00 0.00 C ATOM 1460 C PHE A 99 -6.328 18.737 7.592 1.00 0.00 C ATOM 1461 O PHE A 99 -5.160 18.980 7.292 1.00 0.00 O ATOM 1462 CB PHE A 99 -6.577 16.553 8.787 1.00 0.00 C ATOM 1463 CG PHE A 99 -7.637 15.554 9.155 1.00 0.00 C ATOM 1464 CD1 PHE A 99 -7.745 14.354 8.472 1.00 0.00 C ATOM 1465 CD2 PHE A 99 -8.526 15.816 10.185 1.00 0.00 C ATOM 1466 CE1 PHE A 99 -8.718 13.432 8.809 1.00 0.00 C ATOM 1467 CE2 PHE A 99 -9.502 14.899 10.527 1.00 0.00 C ATOM 1468 CZ PHE A 99 -9.599 13.706 9.837 1.00 0.00 C ATOM 0 H PHE A 99 -5.620 15.914 6.584 1.00 0.00 H new ATOM 0 HA PHE A 99 -7.962 17.376 7.363 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.624 16.036 8.677 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.461 17.265 9.604 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.060 14.136 7.666 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.455 16.748 10.727 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -8.789 12.499 8.270 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.188 15.115 11.333 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.362 12.989 10.101 1.00 0.00 H new ATOM 1478 N ARG A 100 -7.177 19.670 8.011 1.00 0.00 N ATOM 1479 CA ARG A 100 -6.775 21.065 8.144 1.00 0.00 C ATOM 1480 C ARG A 100 -6.666 21.461 9.614 1.00 0.00 C ATOM 1481 O ARG A 100 -7.504 21.086 10.434 1.00 0.00 O ATOM 1482 CB ARG A 100 -7.776 21.976 7.432 1.00 0.00 C ATOM 1483 CG ARG A 100 -9.040 22.237 8.234 1.00 0.00 C ATOM 1484 CD ARG A 100 -10.140 22.826 7.364 1.00 0.00 C ATOM 1485 NE ARG A 100 -11.373 23.046 8.115 1.00 0.00 N ATOM 1486 CZ ARG A 100 -11.575 24.094 8.905 1.00 0.00 C ATOM 1487 NH1 ARG A 100 -10.631 25.014 9.046 1.00 0.00 N ATOM 1488 NH2 ARG A 100 -12.724 24.225 9.555 1.00 0.00 N ATOM 0 H ARG A 100 -8.148 19.485 8.264 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.795 21.181 7.681 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.294 22.928 7.210 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -8.048 21.526 6.477 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.388 21.306 8.681 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -8.818 22.920 9.054 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -9.800 23.771 6.940 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -10.339 22.155 6.528 1.00 0.00 H new ATOM 0 HE ARG A 100 -12.120 22.357 8.028 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -9.747 24.918 8.547 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -10.789 25.818 9.654 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -13.454 23.520 9.448 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -12.878 25.031 10.162 1.00 0.00 H new ATOM 1502 N LYS A 101 -5.627 22.222 9.940 1.00 0.00 N ATOM 1503 CA LYS A 101 -5.407 22.671 11.310 1.00 0.00 C ATOM 1504 C LYS A 101 -6.639 23.391 11.851 1.00 0.00 C ATOM 1505 O LYS A 101 -6.986 24.478 11.392 1.00 0.00 O ATOM 1506 CB LYS A 101 -4.192 23.599 11.375 1.00 0.00 C ATOM 1507 CG LYS A 101 -3.481 23.576 12.718 1.00 0.00 C ATOM 1508 CD LYS A 101 -2.422 24.662 12.806 1.00 0.00 C ATOM 1509 CE LYS A 101 -1.070 24.163 12.320 1.00 0.00 C ATOM 1510 NZ LYS A 101 -0.007 25.193 12.484 1.00 0.00 N ATOM 0 H LYS A 101 -4.924 22.541 9.274 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.220 21.793 11.928 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.486 23.315 10.595 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.512 24.619 11.160 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.209 23.710 13.518 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.017 22.601 12.869 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.730 25.521 12.210 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.335 25.004 13.837 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.794 23.265 12.873 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.143 23.881 11.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.899 24.814 12.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.257 26.041 11.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.081 25.444 13.489 1.00 0.00 H new ATOM 1524 N GLY A 102 -7.294 22.776 12.831 1.00 0.00 N ATOM 1525 CA GLY A 102 -8.479 23.374 13.419 1.00 0.00 C ATOM 1526 C GLY A 102 -8.440 23.368 14.934 1.00 0.00 C ATOM 1527 O GLY A 102 -7.377 23.209 15.534 1.00 0.00 O ATOM 0 H GLY A 102 -7.026 21.876 13.228 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.578 24.400 13.065 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.362 22.833 13.079 1.00 0.00 H new ATOM 1531 N SER A 103 -9.603 23.542 15.555 1.00 0.00 N ATOM 1532 CA SER A 103 -9.697 23.561 17.010 1.00 0.00 C ATOM 1533 C SER A 103 -11.065 23.069 17.473 1.00 0.00 C ATOM 1534 O SER A 103 -12.092 23.335 16.848 1.00 0.00 O ATOM 1535 CB SER A 103 -9.444 24.974 17.540 1.00 0.00 C ATOM 1536 OG SER A 103 -8.831 24.937 18.817 1.00 0.00 O ATOM 0 H SER A 103 -10.493 23.672 15.073 1.00 0.00 H new ATOM 0 HA SER A 103 -8.936 22.890 17.407 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.807 25.519 16.843 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.387 25.517 17.601 1.00 0.00 H new ATOM 0 HG SER A 103 -8.678 25.852 19.133 1.00 0.00 H new ATOM 1542 N PRO A 104 -11.080 22.334 18.594 1.00 0.00 N ATOM 1543 CA PRO A 104 -9.864 22.011 19.346 1.00 0.00 C ATOM 1544 C PRO A 104 -8.965 21.031 18.600 1.00 0.00 C ATOM 1545 O PRO A 104 -7.906 20.645 19.095 1.00 0.00 O ATOM 1546 CB PRO A 104 -10.399 21.373 20.630 1.00 0.00 C ATOM 1547 CG PRO A 104 -11.733 20.825 20.254 1.00 0.00 C ATOM 1548 CD PRO A 104 -12.287 21.761 19.215 1.00 0.00 C ATOM 0 HA PRO A 104 -9.245 22.892 19.517 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -9.735 20.586 20.988 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.484 22.107 21.431 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -11.642 19.813 19.859 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -12.391 20.771 21.121 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -12.902 21.234 18.486 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -12.914 22.533 19.662 1.00 0.00 H new ATOM 1556 N ASP A 105 -9.393 20.633 17.407 1.00 0.00 N ATOM 1557 CA ASP A 105 -8.625 19.700 16.591 1.00 0.00 C ATOM 1558 C ASP A 105 -8.781 20.018 15.108 1.00 0.00 C ATOM 1559 O ASP A 105 -9.446 20.986 14.737 1.00 0.00 O ATOM 1560 CB ASP A 105 -9.070 18.263 16.867 1.00 0.00 C ATOM 1561 CG ASP A 105 -10.386 17.925 16.193 1.00 0.00 C ATOM 1562 OD1 ASP A 105 -11.437 18.405 16.668 1.00 0.00 O ATOM 1563 OD2 ASP A 105 -10.364 17.182 15.190 1.00 0.00 O ATOM 0 H ASP A 105 -10.268 20.942 16.983 1.00 0.00 H new ATOM 0 HA ASP A 105 -7.573 19.804 16.857 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -8.300 17.574 16.520 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -9.168 18.116 17.943 1.00 0.00 H new ATOM 1568 N ASP A 106 -8.164 19.199 14.264 1.00 0.00 N ATOM 1569 CA ASP A 106 -8.235 19.393 12.820 1.00 0.00 C ATOM 1570 C ASP A 106 -9.633 19.079 12.297 1.00 0.00 C ATOM 1571 O ASP A 106 -10.518 18.687 13.058 1.00 0.00 O ATOM 1572 CB ASP A 106 -7.203 18.511 12.114 1.00 0.00 C ATOM 1573 CG ASP A 106 -7.161 17.105 12.679 1.00 0.00 C ATOM 1574 OD1 ASP A 106 -8.221 16.608 13.114 1.00 0.00 O ATOM 1575 OD2 ASP A 106 -6.069 16.500 12.684 1.00 0.00 O ATOM 0 H ASP A 106 -7.609 18.394 14.554 1.00 0.00 H new ATOM 0 HA ASP A 106 -8.014 20.439 12.608 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.435 18.465 11.050 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.217 18.966 12.206 1.00 0.00 H new ATOM 1580 N VAL A 107 -9.826 19.257 10.994 1.00 0.00 N ATOM 1581 CA VAL A 107 -11.116 18.993 10.369 1.00 0.00 C ATOM 1582 C VAL A 107 -10.942 18.482 8.943 1.00 0.00 C ATOM 1583 O VAL A 107 -10.209 19.069 8.149 1.00 0.00 O ATOM 1584 CB VAL A 107 -11.997 20.256 10.346 1.00 0.00 C ATOM 1585 CG1 VAL A 107 -13.176 20.068 9.404 1.00 0.00 C ATOM 1586 CG2 VAL A 107 -12.475 20.598 11.749 1.00 0.00 C ATOM 0 H VAL A 107 -9.105 19.583 10.351 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.607 18.227 10.969 1.00 0.00 H new ATOM 0 HB VAL A 107 -11.398 21.089 9.978 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -13.787 20.971 9.401 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -12.809 19.875 8.396 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -13.778 19.223 9.739 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -13.096 21.493 11.714 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -13.058 19.767 12.147 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -11.614 20.779 12.393 1.00 0.00 H new ATOM 1596 N GLU A 108 -11.623 17.385 8.627 1.00 0.00 N ATOM 1597 CA GLU A 108 -11.543 16.794 7.296 1.00 0.00 C ATOM 1598 C GLU A 108 -11.819 17.840 6.219 1.00 0.00 C ATOM 1599 O GLU A 108 -12.963 18.245 6.011 1.00 0.00 O ATOM 1600 CB GLU A 108 -12.537 15.638 7.166 1.00 0.00 C ATOM 1601 CG GLU A 108 -12.732 15.162 5.736 1.00 0.00 C ATOM 1602 CD GLU A 108 -13.181 13.715 5.660 1.00 0.00 C ATOM 1603 OE1 GLU A 108 -12.880 12.951 6.600 1.00 0.00 O ATOM 1604 OE2 GLU A 108 -13.833 13.348 4.660 1.00 0.00 O ATOM 0 H GLU A 108 -12.236 16.888 9.274 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.532 16.411 7.157 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.191 14.802 7.774 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.500 15.950 7.571 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.471 15.794 5.244 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.797 15.278 5.187 1.00 0.00 H new ATOM 1611 N PHE A 109 -10.763 18.273 5.539 1.00 0.00 N ATOM 1612 CA PHE A 109 -10.890 19.273 4.485 1.00 0.00 C ATOM 1613 C PHE A 109 -11.127 18.609 3.131 1.00 0.00 C ATOM 1614 O PHE A 109 -12.164 18.813 2.499 1.00 0.00 O ATOM 1615 CB PHE A 109 -9.635 20.145 4.425 1.00 0.00 C ATOM 1616 CG PHE A 109 -9.622 21.101 3.267 1.00 0.00 C ATOM 1617 CD1 PHE A 109 -10.385 22.257 3.297 1.00 0.00 C ATOM 1618 CD2 PHE A 109 -8.848 20.843 2.147 1.00 0.00 C ATOM 1619 CE1 PHE A 109 -10.376 23.137 2.232 1.00 0.00 C ATOM 1620 CE2 PHE A 109 -8.835 21.720 1.079 1.00 0.00 C ATOM 1621 CZ PHE A 109 -9.599 22.869 1.122 1.00 0.00 C ATOM 0 H PHE A 109 -9.810 17.947 5.699 1.00 0.00 H new ATOM 0 HA PHE A 109 -11.749 19.902 4.717 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -9.551 20.710 5.353 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -8.758 19.501 4.364 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -10.994 22.473 4.163 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -8.248 19.946 2.108 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -10.976 24.034 2.267 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -8.228 21.507 0.212 1.00 0.00 H new ATOM 0 HZ PHE A 109 -9.589 23.557 0.289 1.00 0.00 H new ATOM 1631 N LYS A 110 -10.157 17.814 2.692 1.00 0.00 N ATOM 1632 CA LYS A 110 -10.258 17.119 1.414 1.00 0.00 C ATOM 1633 C LYS A 110 -10.340 15.610 1.621 1.00 0.00 C ATOM 1634 O LYS A 110 -10.334 15.128 2.754 1.00 0.00 O ATOM 1635 CB LYS A 110 -9.056 17.459 0.529 1.00 0.00 C ATOM 1636 CG LYS A 110 -9.406 17.606 -0.941 1.00 0.00 C ATOM 1637 CD LYS A 110 -9.727 19.048 -1.296 1.00 0.00 C ATOM 1638 CE LYS A 110 -10.915 19.567 -0.500 1.00 0.00 C ATOM 1639 NZ LYS A 110 -11.354 20.910 -0.970 1.00 0.00 N ATOM 0 H LYS A 110 -9.292 17.635 3.202 1.00 0.00 H new ATOM 0 HA LYS A 110 -11.171 17.450 0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.607 18.387 0.882 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.303 16.679 0.638 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.573 17.257 -1.551 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -10.261 16.973 -1.177 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.856 19.674 -1.102 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -9.942 19.122 -2.362 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -11.744 18.864 -0.585 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -10.649 19.621 0.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -12.382 21.003 -0.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -10.869 21.646 -0.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -11.118 21.020 -1.977 1.00 0.00 H new ATOM 1653 N SER A 111 -10.414 14.869 0.520 1.00 0.00 N ATOM 1654 CA SER A 111 -10.500 13.415 0.581 1.00 0.00 C ATOM 1655 C SER A 111 -10.027 12.787 -0.727 1.00 0.00 C ATOM 1656 O SER A 111 -10.655 12.954 -1.771 1.00 0.00 O ATOM 1657 CB SER A 111 -11.935 12.979 0.879 1.00 0.00 C ATOM 1658 OG SER A 111 -12.021 11.573 1.028 1.00 0.00 O ATOM 0 H SER A 111 -10.416 15.252 -0.425 1.00 0.00 H new ATOM 0 HA SER A 111 -9.849 13.071 1.385 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.285 13.466 1.789 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.592 13.303 0.072 1.00 0.00 H new ATOM 0 HG SER A 111 -12.948 11.320 1.220 1.00 0.00 H new ATOM 1664 N GLY A 112 -8.912 12.065 -0.661 1.00 0.00 N ATOM 1665 CA GLY A 112 -8.373 11.423 -1.845 1.00 0.00 C ATOM 1666 C GLY A 112 -9.430 10.671 -2.629 1.00 0.00 C ATOM 1667 O GLY A 112 -10.478 10.318 -2.090 1.00 0.00 O ATOM 0 H GLY A 112 -8.373 11.914 0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.916 12.176 -2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.582 10.732 -1.552 1.00 0.00 H new ATOM 1671 N ALA A 113 -9.155 10.426 -3.906 1.00 0.00 N ATOM 1672 CA ALA A 113 -10.090 9.711 -4.766 1.00 0.00 C ATOM 1673 C ALA A 113 -10.306 8.284 -4.274 1.00 0.00 C ATOM 1674 O ALA A 113 -11.413 7.754 -4.344 1.00 0.00 O ATOM 1675 CB ALA A 113 -9.588 9.706 -6.202 1.00 0.00 C ATOM 0 H ALA A 113 -8.292 10.712 -4.368 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.048 10.229 -4.730 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -10.296 9.169 -6.833 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -9.491 10.732 -6.557 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -8.617 9.214 -6.246 1.00 0.00 H new ATOM 1681 N GLY A 114 -9.238 7.666 -3.776 1.00 0.00 N ATOM 1682 CA GLY A 114 -9.333 6.305 -3.281 1.00 0.00 C ATOM 1683 C GLY A 114 -8.387 5.361 -3.997 1.00 0.00 C ATOM 1684 O GLY A 114 -8.723 4.809 -5.045 1.00 0.00 O ATOM 0 H GLY A 114 -8.310 8.084 -3.707 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.114 6.294 -2.213 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.356 5.949 -3.400 1.00 0.00 H new ATOM 1688 N THR A 115 -7.199 5.174 -3.431 1.00 0.00 N ATOM 1689 CA THR A 115 -6.200 4.293 -4.023 1.00 0.00 C ATOM 1690 C THR A 115 -6.502 2.832 -3.709 1.00 0.00 C ATOM 1691 O THR A 115 -6.160 2.335 -2.636 1.00 0.00 O ATOM 1692 CB THR A 115 -4.784 4.632 -3.522 1.00 0.00 C ATOM 1693 OG1 THR A 115 -4.429 5.961 -3.919 1.00 0.00 O ATOM 1694 CG2 THR A 115 -3.765 3.645 -4.071 1.00 0.00 C ATOM 0 H THR A 115 -6.905 5.621 -2.563 1.00 0.00 H new ATOM 0 HA THR A 115 -6.242 4.447 -5.101 1.00 0.00 H new ATOM 0 HB THR A 115 -4.782 4.565 -2.434 1.00 0.00 H new ATOM 0 HG1 THR A 115 -4.196 5.967 -4.871 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.772 3.905 -3.703 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.021 2.637 -3.743 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.770 3.685 -5.160 1.00 0.00 H new ATOM 1702 N GLU A 116 -7.143 2.149 -4.652 1.00 0.00 N ATOM 1703 CA GLU A 116 -7.490 0.743 -4.475 1.00 0.00 C ATOM 1704 C GLU A 116 -6.234 -0.117 -4.367 1.00 0.00 C ATOM 1705 O GLU A 116 -5.326 -0.016 -5.193 1.00 0.00 O ATOM 1706 CB GLU A 116 -8.357 0.258 -5.638 1.00 0.00 C ATOM 1707 CG GLU A 116 -8.640 -1.234 -5.605 1.00 0.00 C ATOM 1708 CD GLU A 116 -9.412 -1.709 -6.821 1.00 0.00 C ATOM 1709 OE1 GLU A 116 -9.002 -1.375 -7.952 1.00 0.00 O ATOM 1710 OE2 GLU A 116 -10.426 -2.415 -6.641 1.00 0.00 O ATOM 0 H GLU A 116 -7.433 2.546 -5.546 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.055 0.648 -3.548 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.303 0.799 -5.625 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -7.862 0.505 -6.577 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.697 -1.777 -5.543 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -9.205 -1.473 -4.704 1.00 0.00 H new ATOM 1717 N LEU A 117 -6.191 -0.965 -3.345 1.00 0.00 N ATOM 1718 CA LEU A 117 -5.047 -1.844 -3.128 1.00 0.00 C ATOM 1719 C LEU A 117 -5.325 -3.243 -3.670 1.00 0.00 C ATOM 1720 O LEU A 117 -6.431 -3.764 -3.530 1.00 0.00 O ATOM 1721 CB LEU A 117 -4.712 -1.919 -1.638 1.00 0.00 C ATOM 1722 CG LEU A 117 -3.410 -2.637 -1.278 1.00 0.00 C ATOM 1723 CD1 LEU A 117 -2.209 -1.833 -1.750 1.00 0.00 C ATOM 1724 CD2 LEU A 117 -3.334 -2.882 0.222 1.00 0.00 C ATOM 0 H LEU A 117 -6.935 -1.062 -2.654 1.00 0.00 H new ATOM 0 HA LEU A 117 -4.194 -1.429 -3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -4.664 -0.903 -1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.533 -2.420 -1.126 1.00 0.00 H new ATOM 0 HG LEU A 117 -3.397 -3.602 -1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -1.292 -2.359 -1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -2.257 -1.709 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -2.216 -0.854 -1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.401 -3.394 0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -3.370 -1.928 0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -4.176 -3.500 0.533 1.00 0.00 H new ATOM 1736 N SER A 118 -4.313 -3.845 -4.286 1.00 0.00 N ATOM 1737 CA SER A 118 -4.449 -5.183 -4.849 1.00 0.00 C ATOM 1738 C SER A 118 -3.513 -6.165 -4.151 1.00 0.00 C ATOM 1739 O SER A 118 -2.417 -6.447 -4.636 1.00 0.00 O ATOM 1740 CB SER A 118 -4.154 -5.160 -6.350 1.00 0.00 C ATOM 1741 OG SER A 118 -4.482 -3.902 -6.915 1.00 0.00 O ATOM 0 H SER A 118 -3.390 -3.428 -4.408 1.00 0.00 H new ATOM 0 HA SER A 118 -5.476 -5.513 -4.692 1.00 0.00 H new ATOM 0 HB2 SER A 118 -3.099 -5.374 -6.520 1.00 0.00 H new ATOM 0 HB3 SER A 118 -4.723 -5.945 -6.848 1.00 0.00 H new ATOM 0 HG SER A 118 -3.749 -3.271 -6.757 1.00 0.00 H new ATOM 1747 N VAL A 119 -3.952 -6.681 -3.008 1.00 0.00 N ATOM 1748 CA VAL A 119 -3.155 -7.632 -2.242 1.00 0.00 C ATOM 1749 C VAL A 119 -3.115 -8.993 -2.927 1.00 0.00 C ATOM 1750 O VAL A 119 -4.119 -9.704 -2.978 1.00 0.00 O ATOM 1751 CB VAL A 119 -3.707 -7.804 -0.814 1.00 0.00 C ATOM 1752 CG1 VAL A 119 -5.127 -8.348 -0.852 1.00 0.00 C ATOM 1753 CG2 VAL A 119 -2.800 -8.714 0.000 1.00 0.00 C ATOM 0 H VAL A 119 -4.856 -6.457 -2.592 1.00 0.00 H new ATOM 0 HA VAL A 119 -2.145 -7.227 -2.187 1.00 0.00 H new ATOM 0 HB VAL A 119 -3.731 -6.827 -0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -5.500 -8.463 0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -5.768 -7.655 -1.397 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -5.132 -9.317 -1.352 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -3.204 -8.825 1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.742 -9.692 -0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -1.803 -8.278 0.056 1.00 0.00 H new ATOM 1763 N ARG A 120 -1.948 -9.350 -3.453 1.00 0.00 N ATOM 1764 CA ARG A 120 -1.776 -10.626 -4.136 1.00 0.00 C ATOM 1765 C ARG A 120 -1.251 -11.690 -3.177 1.00 0.00 C ATOM 1766 O ARG A 120 -0.156 -11.561 -2.630 1.00 0.00 O ATOM 1767 CB ARG A 120 -0.817 -10.472 -5.318 1.00 0.00 C ATOM 1768 CG ARG A 120 -1.396 -9.669 -6.472 1.00 0.00 C ATOM 1769 CD ARG A 120 -0.372 -9.464 -7.577 1.00 0.00 C ATOM 1770 NE ARG A 120 0.499 -8.322 -7.311 1.00 0.00 N ATOM 1771 CZ ARG A 120 1.484 -7.945 -8.119 1.00 0.00 C ATOM 1772 NH1 ARG A 120 1.721 -8.615 -9.238 1.00 0.00 N ATOM 1773 NH2 ARG A 120 2.233 -6.895 -7.808 1.00 0.00 N ATOM 0 H ARG A 120 -1.107 -8.773 -3.419 1.00 0.00 H new ATOM 0 HA ARG A 120 -2.750 -10.944 -4.507 1.00 0.00 H new ATOM 0 HB2 ARG A 120 0.097 -9.989 -4.973 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -0.537 -11.462 -5.679 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -2.268 -10.185 -6.874 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -1.738 -8.700 -6.107 1.00 0.00 H new ATOM 0 HD2 ARG A 120 0.233 -10.365 -7.682 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -0.887 -9.314 -8.526 1.00 0.00 H new ATOM 0 HE ARG A 120 0.342 -7.785 -6.458 1.00 0.00 H new ATOM 0 HH11 ARG A 120 1.146 -9.422 -9.481 1.00 0.00 H new ATOM 0 HH12 ARG A 120 2.478 -8.323 -9.856 1.00 0.00 H new ATOM 0 HH21 ARG A 120 2.053 -6.377 -6.948 1.00 0.00 H new ATOM 0 HH22 ARG A 120 2.989 -6.606 -8.429 1.00 0.00 H new ATOM 1787 N ALA A 121 -2.040 -12.741 -2.978 1.00 0.00 N ATOM 1788 CA ALA A 121 -1.654 -13.828 -2.086 1.00 0.00 C ATOM 1789 C ALA A 121 -0.241 -14.313 -2.391 1.00 0.00 C ATOM 1790 O ALA A 121 0.203 -14.282 -3.539 1.00 0.00 O ATOM 1791 CB ALA A 121 -2.644 -14.978 -2.197 1.00 0.00 C ATOM 0 H ALA A 121 -2.950 -12.863 -3.422 1.00 0.00 H new ATOM 0 HA ALA A 121 -1.667 -13.449 -1.064 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.344 -15.783 -1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -3.639 -14.629 -1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.659 -15.347 -3.222 1.00 0.00 H new ATOM 1797 N LYS A 122 0.462 -14.760 -1.356 1.00 0.00 N ATOM 1798 CA LYS A 122 1.826 -15.252 -1.512 1.00 0.00 C ATOM 1799 C LYS A 122 1.984 -16.010 -2.827 1.00 0.00 C ATOM 1800 O LYS A 122 1.094 -16.744 -3.258 1.00 0.00 O ATOM 1801 CB LYS A 122 2.199 -16.161 -0.339 1.00 0.00 C ATOM 1802 CG LYS A 122 2.607 -15.403 0.912 1.00 0.00 C ATOM 1803 CD LYS A 122 3.610 -16.190 1.739 1.00 0.00 C ATOM 1804 CE LYS A 122 4.508 -15.269 2.550 1.00 0.00 C ATOM 1805 NZ LYS A 122 5.518 -16.030 3.337 1.00 0.00 N ATOM 0 H LYS A 122 0.110 -14.792 -0.399 1.00 0.00 H new ATOM 0 HA LYS A 122 2.497 -14.393 -1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 122 1.350 -16.803 -0.104 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.018 -16.813 -0.642 1.00 0.00 H new ATOM 0 HG2 LYS A 122 3.039 -14.442 0.632 1.00 0.00 H new ATOM 0 HG3 LYS A 122 1.724 -15.191 1.515 1.00 0.00 H new ATOM 0 HD2 LYS A 122 3.080 -16.866 2.410 1.00 0.00 H new ATOM 0 HD3 LYS A 122 4.220 -16.808 1.081 1.00 0.00 H new ATOM 0 HE2 LYS A 122 5.017 -14.576 1.880 1.00 0.00 H new ATOM 0 HE3 LYS A 122 3.898 -14.669 3.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 6.110 -15.366 3.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 5.033 -16.673 3.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 6.117 -16.582 2.691 1.00 0.00 H new