USER MOD reduce.3.24.130724 H: found=0, std=0, add=931, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 928 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 39 TYR OH : rot 35:sc= 1.18 USER MOD Set 1.2: A 64 ASN :FLIP amide:sc= -2.94! C(o=-3.4!,f=-1.8!) USER MOD Set 2.1: A 3 CYS SG : rot -97:sc= -0.528 USER MOD Set 2.2: A 5 CYS SG : rot 14:sc= -6.31! USER MOD Set 2.3: A 14 CYS SG : rot -76:sc= 0.0135 USER MOD Set 2.4: A 15 CYS SG : rot 100:sc= -4.18! USER MOD Single : A 7 SER OG : rot 120:sc= -0.0467 USER MOD Single : A 9 LYS NZ :NH3+ -133:sc= 0.0846 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -112:sc= 1.9 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -20:sc= 0.0571 USER MOD Single : A 24 SER OG : rot 160:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.331 USER MOD Single : A 32 MET CE :methyl -113:sc= -1.19 (180deg=-3.21!) USER MOD Single : A 34 SER OG : rot -2:sc= 0.654 USER MOD Single : A 36 TYR OH : rot 180:sc= -0.0602 USER MOD Single : A 42 LYS NZ :NH3+ -169:sc= -0.0131 (180deg=-0.133) USER MOD Single : A 46 TYR OH : rot 37:sc= -0.492 USER MOD Single : A 50 THR OG1 : rot -75:sc= 1.69 USER MOD Single : A 51 THR OG1 : rot -161:sc= 1.25 USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 MET CE :methyl 159:sc= -4.16! (180deg=-5.28!) USER MOD Single : A 71 SER OG : rot -119:sc= 0.589 USER MOD Single : A 81 SER OG : rot 159:sc= 0.889 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0144 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0.0179 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0782 USER MOD Single : A 104 GLN :FLIP amide:sc= -0.0712 F(o=-1.9,f=-0.071) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HE2:sc= -1.04 K(o=-1,f=-4.3!) USER MOD Single : A 107 HIS : no HD1:sc= -2.05 X(o=-2,f=-1.9) USER MOD Single : A 110 SER OG : rot 20:sc= -1.26 USER MOD Single : A 111 GLN : amide:sc= -1.96! X(o=-2!,f=-1.5) USER MOD Single : A 114 LYS NZ :NH3+ 171:sc= 1.22 (180deg=1.07) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot -90:sc= -0.356 USER MOD ----------------------------------------------------------------- ATOM 34 N CYS A 3 -0.872 -4.636 -1.522 1.00 0.00 N ATOM 35 CA CYS A 3 -2.121 -5.224 -1.046 1.00 0.00 C ATOM 36 C CYS A 3 -1.881 -6.652 -0.582 1.00 0.00 C ATOM 37 O CYS A 3 -1.008 -7.335 -1.119 1.00 0.00 O ATOM 38 CB CYS A 3 -3.166 -5.231 -2.165 1.00 0.00 C ATOM 39 SG CYS A 3 -4.875 -5.471 -1.591 1.00 0.00 S ATOM 0 HA CYS A 3 -2.487 -4.624 -0.213 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.106 -4.288 -2.708 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.918 -6.022 -2.873 1.00 0.00 H new ATOM 0 HG CYS A 3 -5.199 -6.725 -1.706 1.00 0.00 H new ATOM 44 N VAL A 4 -2.652 -7.106 0.407 1.00 0.00 N ATOM 45 CA VAL A 4 -2.605 -8.504 0.830 1.00 0.00 C ATOM 46 C VAL A 4 -3.205 -9.398 -0.256 1.00 0.00 C ATOM 47 O VAL A 4 -4.351 -9.840 -0.181 1.00 0.00 O ATOM 48 CB VAL A 4 -3.316 -8.732 2.187 1.00 0.00 C ATOM 49 CG1 VAL A 4 -2.518 -8.080 3.311 1.00 0.00 C ATOM 50 CG2 VAL A 4 -4.744 -8.192 2.153 1.00 0.00 C ATOM 0 H VAL A 4 -3.313 -6.529 0.927 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.558 -8.770 0.976 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.371 -9.805 2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.026 -8.246 4.261 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.521 -8.519 3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.436 -7.009 3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.221 -8.365 3.118 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.724 -7.122 1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.308 -8.703 1.373 1.00 0.00 H new ATOM 60 N CYS A 5 -2.415 -9.605 -1.292 1.00 0.00 N ATOM 61 CA CYS A 5 -2.820 -10.357 -2.475 1.00 0.00 C ATOM 62 C CYS A 5 -1.597 -10.652 -3.328 1.00 0.00 C ATOM 63 O CYS A 5 -0.550 -10.030 -3.143 1.00 0.00 O ATOM 64 CB CYS A 5 -3.820 -9.558 -3.327 1.00 0.00 C ATOM 65 SG CYS A 5 -5.391 -9.156 -2.508 1.00 0.00 S ATOM 0 H CYS A 5 -1.459 -9.252 -1.341 1.00 0.00 H new ATOM 0 HA CYS A 5 -3.294 -11.280 -2.141 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -3.344 -8.629 -3.640 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -4.036 -10.126 -4.232 1.00 0.00 H new ATOM 0 HG CYS A 5 -5.278 -9.359 -1.229 1.00 0.00 H new ATOM 70 N GLY A 6 -1.726 -11.587 -4.265 1.00 0.00 N ATOM 71 CA GLY A 6 -0.719 -11.738 -5.302 1.00 0.00 C ATOM 72 C GLY A 6 -0.820 -10.602 -6.305 1.00 0.00 C ATOM 73 O GLY A 6 -0.971 -10.824 -7.509 1.00 0.00 O ATOM 0 H GLY A 6 -2.507 -12.241 -4.325 1.00 0.00 H new ATOM 0 HA2 GLY A 6 0.275 -11.749 -4.854 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -0.851 -12.693 -5.810 1.00 0.00 H new ATOM 77 N SER A 7 -0.748 -9.376 -5.793 1.00 0.00 N ATOM 78 CA SER A 7 -0.994 -8.176 -6.572 1.00 0.00 C ATOM 79 C SER A 7 -0.257 -7.004 -5.930 1.00 0.00 C ATOM 80 O SER A 7 -0.536 -6.648 -4.780 1.00 0.00 O ATOM 81 CB SER A 7 -2.501 -7.875 -6.612 1.00 0.00 C ATOM 82 OG SER A 7 -3.257 -9.026 -6.968 1.00 0.00 O ATOM 0 H SER A 7 -0.515 -9.191 -4.817 1.00 0.00 H new ATOM 0 HA SER A 7 -0.635 -8.326 -7.590 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.826 -7.513 -5.637 1.00 0.00 H new ATOM 0 HB3 SER A 7 -2.694 -7.077 -7.329 1.00 0.00 H new ATOM 0 HG SER A 7 -3.880 -9.245 -6.244 1.00 0.00 H new ATOM 88 N GLY A 8 0.675 -6.411 -6.667 1.00 0.00 N ATOM 89 CA GLY A 8 1.441 -5.291 -6.147 1.00 0.00 C ATOM 90 C GLY A 8 0.585 -4.059 -5.935 1.00 0.00 C ATOM 91 O GLY A 8 0.978 -3.136 -5.219 1.00 0.00 O ATOM 0 H GLY A 8 0.915 -6.686 -7.619 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.903 -5.577 -5.202 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.250 -5.054 -6.838 1.00 0.00 H new ATOM 95 N LYS A 9 -0.591 -4.055 -6.558 1.00 0.00 N ATOM 96 CA LYS A 9 -1.527 -2.936 -6.462 1.00 0.00 C ATOM 97 C LYS A 9 -1.948 -2.690 -5.014 1.00 0.00 C ATOM 98 O LYS A 9 -1.834 -3.574 -4.165 1.00 0.00 O ATOM 99 CB LYS A 9 -2.768 -3.210 -7.318 1.00 0.00 C ATOM 100 CG LYS A 9 -2.442 -3.740 -8.707 1.00 0.00 C ATOM 101 CD LYS A 9 -3.690 -3.895 -9.570 1.00 0.00 C ATOM 102 CE LYS A 9 -4.321 -2.548 -9.915 1.00 0.00 C ATOM 103 NZ LYS A 9 -5.474 -2.699 -10.844 1.00 0.00 N ATOM 0 H LYS A 9 -0.922 -4.824 -7.141 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.020 -2.044 -6.830 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.403 -3.930 -6.803 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.343 -2.289 -7.415 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.744 -3.062 -9.198 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.941 -4.704 -8.618 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.431 -4.420 -10.490 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.419 -4.512 -9.045 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.653 -2.057 -9.000 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.571 -1.901 -10.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.390 -2.008 -11.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.478 -3.661 -11.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.361 -2.534 -10.326 1.00 0.00 H new ATOM 117 N THR A 10 -2.466 -1.496 -4.755 1.00 0.00 N ATOM 118 CA THR A 10 -2.868 -1.091 -3.409 1.00 0.00 C ATOM 119 C THR A 10 -4.171 -1.775 -2.997 1.00 0.00 C ATOM 120 O THR A 10 -4.765 -2.523 -3.779 1.00 0.00 O ATOM 121 CB THR A 10 -3.073 0.441 -3.334 1.00 0.00 C ATOM 122 OG1 THR A 10 -4.204 0.821 -4.132 1.00 0.00 O ATOM 123 CG2 THR A 10 -1.839 1.182 -3.828 1.00 0.00 C ATOM 0 H THR A 10 -2.620 -0.782 -5.467 1.00 0.00 H new ATOM 0 HA THR A 10 -2.069 -1.390 -2.731 1.00 0.00 H new ATOM 0 HB THR A 10 -3.247 0.708 -2.292 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.899 1.341 -4.905 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.010 2.257 -3.765 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.982 0.914 -3.210 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.640 0.907 -4.864 1.00 0.00 H new ATOM 131 N TYR A 11 -4.608 -1.525 -1.765 1.00 0.00 N ATOM 132 CA TYR A 11 -5.927 -1.961 -1.318 1.00 0.00 C ATOM 133 C TYR A 11 -6.994 -1.437 -2.275 1.00 0.00 C ATOM 134 O TYR A 11 -7.789 -2.208 -2.819 1.00 0.00 O ATOM 135 CB TYR A 11 -6.199 -1.464 0.112 1.00 0.00 C ATOM 136 CG TYR A 11 -7.669 -1.483 0.510 1.00 0.00 C ATOM 137 CD1 TYR A 11 -8.334 -2.678 0.766 1.00 0.00 C ATOM 138 CD2 TYR A 11 -8.394 -0.299 0.615 1.00 0.00 C ATOM 139 CE1 TYR A 11 -9.674 -2.688 1.117 1.00 0.00 C ATOM 140 CE2 TYR A 11 -9.730 -0.303 0.962 1.00 0.00 C ATOM 141 CZ TYR A 11 -10.365 -1.498 1.212 1.00 0.00 C ATOM 142 OH TYR A 11 -11.702 -1.501 1.551 1.00 0.00 O ATOM 0 H TYR A 11 -4.068 -1.023 -1.060 1.00 0.00 H new ATOM 0 HA TYR A 11 -5.958 -3.051 -1.314 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -5.636 -2.081 0.812 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -5.821 -0.446 0.209 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -7.797 -3.612 0.690 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -7.901 0.642 0.421 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -10.176 -3.624 1.315 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -10.274 0.627 1.037 1.00 0.00 H new ATOM 0 HH TYR A 11 -12.036 -0.580 1.575 1.00 0.00 H new ATOM 152 N ASP A 12 -6.969 -0.127 -2.496 1.00 0.00 N ATOM 153 CA ASP A 12 -7.955 0.547 -3.336 1.00 0.00 C ATOM 154 C ASP A 12 -7.877 0.063 -4.781 1.00 0.00 C ATOM 155 O ASP A 12 -8.858 -0.434 -5.328 1.00 0.00 O ATOM 156 CB ASP A 12 -7.744 2.066 -3.287 1.00 0.00 C ATOM 157 CG ASP A 12 -8.025 2.656 -1.915 1.00 0.00 C ATOM 158 OD1 ASP A 12 -7.140 2.580 -1.033 1.00 0.00 O ATOM 159 OD2 ASP A 12 -9.133 3.199 -1.710 1.00 0.00 O ATOM 0 H ASP A 12 -6.267 0.497 -2.099 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.944 0.305 -2.947 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.717 2.295 -3.572 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.393 2.542 -4.022 1.00 0.00 H new ATOM 164 N ASP A 13 -6.694 0.179 -5.381 1.00 0.00 N ATOM 165 CA ASP A 13 -6.511 -0.140 -6.801 1.00 0.00 C ATOM 166 C ASP A 13 -6.722 -1.628 -7.076 1.00 0.00 C ATOM 167 O ASP A 13 -6.934 -2.031 -8.219 1.00 0.00 O ATOM 168 CB ASP A 13 -5.117 0.287 -7.286 1.00 0.00 C ATOM 169 CG ASP A 13 -4.902 1.793 -7.214 1.00 0.00 C ATOM 170 OD1 ASP A 13 -5.669 2.539 -7.858 1.00 0.00 O ATOM 171 OD2 ASP A 13 -3.972 2.239 -6.504 1.00 0.00 O ATOM 0 H ASP A 13 -5.846 0.491 -4.908 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.265 0.420 -7.354 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.359 -0.213 -6.683 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.977 -0.046 -8.314 1.00 0.00 H new ATOM 176 N CYS A 14 -6.644 -2.446 -6.032 1.00 0.00 N ATOM 177 CA CYS A 14 -6.870 -3.886 -6.169 1.00 0.00 C ATOM 178 C CYS A 14 -8.235 -4.294 -5.607 1.00 0.00 C ATOM 179 O CYS A 14 -9.173 -4.539 -6.359 1.00 0.00 O ATOM 180 CB CYS A 14 -5.739 -4.673 -5.487 1.00 0.00 C ATOM 181 SG CYS A 14 -6.133 -6.412 -5.104 1.00 0.00 S ATOM 0 H CYS A 14 -6.427 -2.141 -5.083 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.869 -4.127 -7.232 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.860 -4.649 -6.131 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.470 -4.165 -4.561 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.903 -6.462 -4.058 1.00 0.00 H new ATOM 186 N CYS A 15 -8.342 -4.372 -4.284 1.00 0.00 N ATOM 187 CA CYS A 15 -9.561 -4.864 -3.636 1.00 0.00 C ATOM 188 C CYS A 15 -10.710 -3.858 -3.683 1.00 0.00 C ATOM 189 O CYS A 15 -11.871 -4.250 -3.588 1.00 0.00 O ATOM 190 CB CYS A 15 -9.271 -5.271 -2.189 1.00 0.00 C ATOM 191 SG CYS A 15 -8.414 -6.868 -2.040 1.00 0.00 S ATOM 0 H CYS A 15 -7.601 -4.102 -3.637 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.884 -5.737 -4.202 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.665 -4.497 -1.717 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -10.211 -5.320 -1.639 1.00 0.00 H new ATOM 0 HG CYS A 15 -7.144 -6.663 -1.854 1.00 0.00 H new ATOM 196 N GLY A 16 -10.387 -2.574 -3.835 1.00 0.00 N ATOM 197 CA GLY A 16 -11.391 -1.524 -3.708 1.00 0.00 C ATOM 198 C GLY A 16 -12.615 -1.720 -4.598 1.00 0.00 C ATOM 199 O GLY A 16 -13.737 -1.772 -4.092 1.00 0.00 O ATOM 0 H GLY A 16 -9.446 -2.240 -4.044 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.716 -1.471 -2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.931 -0.565 -3.948 1.00 0.00 H new ATOM 203 N PRO A 17 -12.439 -1.871 -5.929 1.00 0.00 N ATOM 204 CA PRO A 17 -13.570 -2.032 -6.854 1.00 0.00 C ATOM 205 C PRO A 17 -14.372 -3.304 -6.577 1.00 0.00 C ATOM 206 O PRO A 17 -15.587 -3.350 -6.798 1.00 0.00 O ATOM 207 CB PRO A 17 -12.906 -2.088 -8.242 1.00 0.00 C ATOM 208 CG PRO A 17 -11.482 -2.449 -7.982 1.00 0.00 C ATOM 209 CD PRO A 17 -11.145 -1.862 -6.639 1.00 0.00 C ATOM 0 HA PRO A 17 -14.292 -1.221 -6.757 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -13.389 -2.828 -8.880 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -12.982 -1.128 -8.753 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.348 -3.531 -7.980 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.830 -2.048 -8.758 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.396 -2.457 -6.117 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -10.744 -0.853 -6.731 1.00 0.00 H new ATOM 217 N LEU A 18 -13.685 -4.326 -6.074 1.00 0.00 N ATOM 218 CA LEU A 18 -14.308 -5.616 -5.787 1.00 0.00 C ATOM 219 C LEU A 18 -15.159 -5.537 -4.522 1.00 0.00 C ATOM 220 O LEU A 18 -16.338 -5.893 -4.529 1.00 0.00 O ATOM 221 CB LEU A 18 -13.236 -6.713 -5.630 1.00 0.00 C ATOM 222 CG LEU A 18 -12.553 -7.184 -6.928 1.00 0.00 C ATOM 223 CD1 LEU A 18 -13.584 -7.726 -7.910 1.00 0.00 C ATOM 224 CD2 LEU A 18 -11.734 -6.066 -7.565 1.00 0.00 C ATOM 0 H LEU A 18 -12.690 -4.285 -5.855 1.00 0.00 H new ATOM 0 HA LEU A 18 -14.954 -5.871 -6.627 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.466 -6.346 -4.951 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.697 -7.577 -5.152 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.865 -7.989 -6.669 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.082 -8.054 -8.820 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -14.107 -8.570 -7.460 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -14.302 -6.943 -8.153 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.266 -6.433 -8.478 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.388 -5.227 -7.804 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.962 -5.738 -6.869 1.00 0.00 H new ATOM 236 N LEU A 19 -14.553 -5.046 -3.448 1.00 0.00 N ATOM 237 CA LEU A 19 -15.212 -4.954 -2.146 1.00 0.00 C ATOM 238 C LEU A 19 -16.313 -3.898 -2.161 1.00 0.00 C ATOM 239 O LEU A 19 -17.211 -3.919 -1.323 1.00 0.00 O ATOM 240 CB LEU A 19 -14.175 -4.646 -1.053 1.00 0.00 C ATOM 241 CG LEU A 19 -13.317 -5.848 -0.609 1.00 0.00 C ATOM 242 CD1 LEU A 19 -12.072 -5.387 0.145 1.00 0.00 C ATOM 243 CD2 LEU A 19 -14.137 -6.798 0.259 1.00 0.00 C ATOM 0 H LEU A 19 -13.593 -4.701 -3.452 1.00 0.00 H new ATOM 0 HA LEU A 19 -15.679 -5.914 -1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.512 -3.860 -1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -14.695 -4.249 -0.181 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.995 -6.379 -1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.486 -6.256 0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.470 -4.750 -0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.370 -4.826 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -13.516 -7.640 0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.490 -6.269 1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -14.992 -7.164 -0.310 1.00 0.00 H new ATOM 255 N ALA A 20 -16.227 -2.969 -3.105 1.00 0.00 N ATOM 256 CA ALA A 20 -17.251 -1.941 -3.270 1.00 0.00 C ATOM 257 C ALA A 20 -18.434 -2.470 -4.084 1.00 0.00 C ATOM 258 O ALA A 20 -19.478 -1.824 -4.162 1.00 0.00 O ATOM 259 CB ALA A 20 -16.655 -0.708 -3.940 1.00 0.00 C ATOM 0 H ALA A 20 -15.457 -2.905 -3.771 1.00 0.00 H new ATOM 0 HA ALA A 20 -17.618 -1.664 -2.282 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -17.428 0.052 -4.058 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -15.849 -0.312 -3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -16.262 -0.980 -4.919 1.00 0.00 H new ATOM 265 N ARG A 21 -18.255 -3.653 -4.687 1.00 0.00 N ATOM 266 CA ARG A 21 -19.261 -4.260 -5.570 1.00 0.00 C ATOM 267 C ARG A 21 -19.519 -3.393 -6.806 1.00 0.00 C ATOM 268 O ARG A 21 -20.440 -3.662 -7.579 1.00 0.00 O ATOM 269 CB ARG A 21 -20.585 -4.530 -4.824 1.00 0.00 C ATOM 270 CG ARG A 21 -20.563 -5.758 -3.911 1.00 0.00 C ATOM 271 CD ARG A 21 -19.667 -5.570 -2.694 1.00 0.00 C ATOM 272 NE ARG A 21 -20.064 -4.415 -1.883 1.00 0.00 N ATOM 273 CZ ARG A 21 -20.082 -4.409 -0.548 1.00 0.00 C ATOM 274 NH1 ARG A 21 -19.839 -5.522 0.127 1.00 0.00 N ATOM 275 NH2 ARG A 21 -20.368 -3.295 0.112 1.00 0.00 N ATOM 0 H ARG A 21 -17.411 -4.215 -4.577 1.00 0.00 H new ATOM 0 HA ARG A 21 -18.855 -5.216 -5.900 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -20.835 -3.654 -4.226 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -21.382 -4.653 -5.558 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -21.578 -5.977 -3.579 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -20.220 -6.622 -4.480 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -19.699 -6.470 -2.080 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -18.635 -5.444 -3.022 1.00 0.00 H new ATOM 0 HE ARG A 21 -20.344 -3.563 -2.369 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -19.637 -6.388 -0.373 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -19.854 -5.513 1.147 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -20.576 -2.438 -0.400 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -20.381 -3.295 1.132 1.00 0.00 H new ATOM 289 N THR A 22 -18.689 -2.374 -7.005 1.00 0.00 N ATOM 290 CA THR A 22 -18.839 -1.468 -8.138 1.00 0.00 C ATOM 291 C THR A 22 -18.258 -2.096 -9.406 1.00 0.00 C ATOM 292 O THR A 22 -18.549 -1.656 -10.520 1.00 0.00 O ATOM 293 CB THR A 22 -18.155 -0.103 -7.861 1.00 0.00 C ATOM 294 OG1 THR A 22 -18.365 0.805 -8.955 1.00 0.00 O ATOM 295 CG2 THR A 22 -16.658 -0.274 -7.625 1.00 0.00 C ATOM 0 H THR A 22 -17.903 -2.155 -6.394 1.00 0.00 H new ATOM 0 HA THR A 22 -19.905 -1.292 -8.284 1.00 0.00 H new ATOM 0 HB THR A 22 -18.608 0.310 -6.960 1.00 0.00 H new ATOM 0 HG1 THR A 22 -18.612 0.299 -9.757 1.00 0.00 H new ATOM 0 HG21 THR A 22 -16.206 0.699 -7.434 1.00 0.00 H new ATOM 0 HG22 THR A 22 -16.497 -0.924 -6.765 1.00 0.00 H new ATOM 0 HG23 THR A 22 -16.199 -0.720 -8.508 1.00 0.00 H new ATOM 303 N ARG A 23 -17.441 -3.131 -9.225 1.00 0.00 N ATOM 304 CA ARG A 23 -16.798 -3.817 -10.340 1.00 0.00 C ATOM 305 C ARG A 23 -16.535 -5.281 -9.993 1.00 0.00 C ATOM 306 O ARG A 23 -16.180 -5.605 -8.858 1.00 0.00 O ATOM 307 CB ARG A 23 -15.482 -3.111 -10.704 1.00 0.00 C ATOM 308 CG ARG A 23 -14.614 -3.886 -11.692 1.00 0.00 C ATOM 309 CD ARG A 23 -13.335 -3.135 -12.041 1.00 0.00 C ATOM 310 NE ARG A 23 -13.607 -1.915 -12.804 1.00 0.00 N ATOM 311 CZ ARG A 23 -13.488 -1.826 -14.131 1.00 0.00 C ATOM 312 NH1 ARG A 23 -13.146 -2.891 -14.847 1.00 0.00 N ATOM 313 NH2 ARG A 23 -13.727 -0.677 -14.746 1.00 0.00 N ATOM 0 H ARG A 23 -17.208 -3.514 -8.309 1.00 0.00 H new ATOM 0 HA ARG A 23 -17.467 -3.784 -11.200 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -15.711 -2.133 -11.127 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -14.910 -2.938 -9.792 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.360 -4.857 -11.267 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.183 -4.076 -12.602 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -12.803 -2.879 -11.125 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -12.679 -3.786 -12.619 1.00 0.00 H new ATOM 0 HE ARG A 23 -13.905 -1.085 -12.292 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.973 -3.783 -14.384 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.057 -2.817 -15.860 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.003 0.143 -14.206 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.635 -0.612 -15.760 1.00 0.00 H new ATOM 327 N SER A 24 -16.729 -6.158 -10.973 1.00 0.00 N ATOM 328 CA SER A 24 -16.426 -7.574 -10.816 1.00 0.00 C ATOM 329 C SER A 24 -15.049 -7.880 -11.410 1.00 0.00 C ATOM 330 O SER A 24 -14.584 -7.180 -12.313 1.00 0.00 O ATOM 331 CB SER A 24 -17.510 -8.429 -11.487 1.00 0.00 C ATOM 332 OG SER A 24 -17.664 -8.093 -12.855 1.00 0.00 O ATOM 0 H SER A 24 -17.098 -5.909 -11.891 1.00 0.00 H new ATOM 0 HA SER A 24 -16.409 -7.819 -9.754 1.00 0.00 H new ATOM 0 HB2 SER A 24 -17.250 -9.484 -11.397 1.00 0.00 H new ATOM 0 HB3 SER A 24 -18.458 -8.289 -10.968 1.00 0.00 H new ATOM 0 HG SER A 24 -18.102 -8.832 -13.326 1.00 0.00 H new ATOM 338 N ALA A 25 -14.402 -8.921 -10.894 1.00 0.00 N ATOM 339 CA ALA A 25 -13.050 -9.284 -11.318 1.00 0.00 C ATOM 340 C ALA A 25 -13.013 -9.753 -12.772 1.00 0.00 C ATOM 341 O ALA A 25 -11.990 -9.628 -13.445 1.00 0.00 O ATOM 342 CB ALA A 25 -12.492 -10.362 -10.400 1.00 0.00 C ATOM 0 H ALA A 25 -14.794 -9.532 -10.177 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.429 -8.391 -11.250 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.485 -10.628 -10.721 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.460 -9.988 -9.377 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -13.131 -11.244 -10.444 1.00 0.00 H new ATOM 348 N ALA A 26 -14.129 -10.316 -13.236 1.00 0.00 N ATOM 349 CA ALA A 26 -14.256 -10.805 -14.615 1.00 0.00 C ATOM 350 C ALA A 26 -13.268 -11.941 -14.919 1.00 0.00 C ATOM 351 O ALA A 26 -13.166 -12.395 -16.060 1.00 0.00 O ATOM 352 CB ALA A 26 -14.082 -9.657 -15.608 1.00 0.00 C ATOM 0 H ALA A 26 -14.969 -10.447 -12.672 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.260 -11.215 -14.723 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -14.179 -10.038 -16.625 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -14.847 -8.902 -15.429 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.095 -9.212 -15.480 1.00 0.00 H new ATOM 358 N SER A 27 -12.581 -12.425 -13.888 1.00 0.00 N ATOM 359 CA SER A 27 -11.593 -13.490 -14.036 1.00 0.00 C ATOM 360 C SER A 27 -11.523 -14.313 -12.747 1.00 0.00 C ATOM 361 O SER A 27 -11.542 -13.747 -11.652 1.00 0.00 O ATOM 362 CB SER A 27 -10.216 -12.893 -14.367 1.00 0.00 C ATOM 363 OG SER A 27 -9.233 -13.906 -14.505 1.00 0.00 O ATOM 0 H SER A 27 -12.692 -12.092 -12.930 1.00 0.00 H new ATOM 0 HA SER A 27 -11.892 -14.143 -14.856 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.280 -12.317 -15.290 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.919 -12.200 -13.579 1.00 0.00 H new ATOM 0 HG SER A 27 -8.368 -13.496 -14.717 1.00 0.00 H new ATOM 369 N PRO A 28 -11.441 -15.659 -12.855 1.00 0.00 N ATOM 370 CA PRO A 28 -11.435 -16.550 -11.685 1.00 0.00 C ATOM 371 C PRO A 28 -10.260 -16.260 -10.748 1.00 0.00 C ATOM 372 O PRO A 28 -10.426 -16.191 -9.528 1.00 0.00 O ATOM 373 CB PRO A 28 -11.324 -17.962 -12.295 1.00 0.00 C ATOM 374 CG PRO A 28 -10.801 -17.749 -13.678 1.00 0.00 C ATOM 375 CD PRO A 28 -11.339 -16.414 -14.120 1.00 0.00 C ATOM 0 HA PRO A 28 -12.325 -16.422 -11.069 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.652 -18.591 -11.712 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.293 -18.461 -12.313 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -9.711 -17.754 -13.689 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.130 -18.544 -14.347 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.671 -15.925 -14.829 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.308 -16.512 -14.610 1.00 0.00 H new ATOM 383 N GLU A 29 -9.079 -16.066 -11.332 1.00 0.00 N ATOM 384 CA GLU A 29 -7.872 -15.784 -10.558 1.00 0.00 C ATOM 385 C GLU A 29 -7.991 -14.427 -9.865 1.00 0.00 C ATOM 386 O GLU A 29 -7.664 -14.283 -8.685 1.00 0.00 O ATOM 387 CB GLU A 29 -6.635 -15.808 -11.467 1.00 0.00 C ATOM 388 CG GLU A 29 -6.694 -14.799 -12.608 1.00 0.00 C ATOM 389 CD GLU A 29 -5.428 -14.775 -13.442 1.00 0.00 C ATOM 390 OE1 GLU A 29 -4.416 -14.207 -12.979 1.00 0.00 O ATOM 391 OE2 GLU A 29 -5.440 -15.317 -14.566 1.00 0.00 O ATOM 0 H GLU A 29 -8.932 -16.099 -12.341 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.760 -16.557 -9.798 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.748 -15.611 -10.865 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.521 -16.809 -11.884 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.542 -15.035 -13.251 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.872 -13.805 -12.198 1.00 0.00 H new ATOM 398 N ALA A 30 -8.486 -13.440 -10.606 1.00 0.00 N ATOM 399 CA ALA A 30 -8.647 -12.090 -10.084 1.00 0.00 C ATOM 400 C ALA A 30 -9.714 -12.062 -8.994 1.00 0.00 C ATOM 401 O ALA A 30 -9.678 -11.222 -8.093 1.00 0.00 O ATOM 402 CB ALA A 30 -8.998 -11.123 -11.212 1.00 0.00 C ATOM 0 H ALA A 30 -8.784 -13.553 -11.575 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.702 -11.772 -9.642 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.115 -10.118 -10.806 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.199 -11.124 -11.954 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.930 -11.436 -11.682 1.00 0.00 H new ATOM 408 N LEU A 31 -10.652 -12.998 -9.081 1.00 0.00 N ATOM 409 CA LEU A 31 -11.762 -13.078 -8.138 1.00 0.00 C ATOM 410 C LEU A 31 -11.330 -13.774 -6.844 1.00 0.00 C ATOM 411 O LEU A 31 -11.696 -13.346 -5.749 1.00 0.00 O ATOM 412 CB LEU A 31 -12.948 -13.802 -8.810 1.00 0.00 C ATOM 413 CG LEU A 31 -14.261 -13.909 -8.002 1.00 0.00 C ATOM 414 CD1 LEU A 31 -14.236 -15.100 -7.055 1.00 0.00 C ATOM 415 CD2 LEU A 31 -14.550 -12.613 -7.243 1.00 0.00 C ATOM 0 H LEU A 31 -10.665 -13.719 -9.802 1.00 0.00 H new ATOM 0 HA LEU A 31 -12.080 -12.072 -7.864 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.169 -13.290 -9.747 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -12.626 -14.811 -9.066 1.00 0.00 H new ATOM 0 HG LEU A 31 -15.070 -14.069 -8.714 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -15.175 -15.145 -6.503 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -14.108 -16.018 -7.628 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.408 -14.991 -6.355 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.480 -12.718 -6.684 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -13.733 -12.406 -6.552 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -14.644 -11.790 -7.951 1.00 0.00 H new ATOM 427 N MET A 32 -10.544 -14.838 -6.960 1.00 0.00 N ATOM 428 CA MET A 32 -10.106 -15.575 -5.777 1.00 0.00 C ATOM 429 C MET A 32 -9.058 -14.777 -5.000 1.00 0.00 C ATOM 430 O MET A 32 -9.000 -14.852 -3.773 1.00 0.00 O ATOM 431 CB MET A 32 -9.578 -16.974 -6.152 1.00 0.00 C ATOM 432 CG MET A 32 -8.313 -16.984 -7.002 1.00 0.00 C ATOM 433 SD MET A 32 -6.838 -16.487 -6.089 1.00 0.00 S ATOM 434 CE MET A 32 -5.578 -16.696 -7.344 1.00 0.00 C ATOM 0 H MET A 32 -10.200 -15.207 -7.847 1.00 0.00 H new ATOM 0 HA MET A 32 -10.971 -15.716 -5.129 1.00 0.00 H new ATOM 0 HB2 MET A 32 -9.384 -17.530 -5.234 1.00 0.00 H new ATOM 0 HB3 MET A 32 -10.362 -17.509 -6.689 1.00 0.00 H new ATOM 0 HG2 MET A 32 -8.162 -17.985 -7.406 1.00 0.00 H new ATOM 0 HG3 MET A 32 -8.449 -16.315 -7.852 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.913 -17.512 -7.060 1.00 0.00 H new ATOM 0 HE2 MET A 32 -6.050 -16.929 -8.298 1.00 0.00 H new ATOM 0 HE3 MET A 32 -5.003 -15.775 -7.439 1.00 0.00 H new ATOM 444 N ARG A 33 -8.252 -13.986 -5.714 1.00 0.00 N ATOM 445 CA ARG A 33 -7.198 -13.196 -5.075 1.00 0.00 C ATOM 446 C ARG A 33 -7.779 -11.948 -4.400 1.00 0.00 C ATOM 447 O ARG A 33 -7.170 -11.389 -3.483 1.00 0.00 O ATOM 448 CB ARG A 33 -6.068 -12.864 -6.089 1.00 0.00 C ATOM 449 CG ARG A 33 -5.777 -11.378 -6.339 1.00 0.00 C ATOM 450 CD ARG A 33 -6.820 -10.729 -7.243 1.00 0.00 C ATOM 451 NE ARG A 33 -6.373 -9.440 -7.778 1.00 0.00 N ATOM 452 CZ ARG A 33 -7.164 -8.587 -8.437 1.00 0.00 C ATOM 453 NH1 ARG A 33 -8.461 -8.841 -8.582 1.00 0.00 N ATOM 454 NH2 ARG A 33 -6.656 -7.478 -8.955 1.00 0.00 N ATOM 0 H ARG A 33 -8.309 -13.876 -6.727 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.744 -13.792 -4.283 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.149 -13.336 -5.740 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.321 -13.326 -7.043 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.747 -10.850 -5.386 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.791 -11.274 -6.792 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.050 -11.402 -8.069 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.744 -10.586 -6.682 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.397 -9.177 -7.639 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.861 -9.693 -8.189 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.056 -8.184 -9.086 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.662 -7.275 -8.851 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.259 -6.827 -9.458 1.00 0.00 H new ATOM 468 N SER A 34 -8.951 -11.506 -4.858 1.00 0.00 N ATOM 469 CA SER A 34 -9.673 -10.425 -4.192 1.00 0.00 C ATOM 470 C SER A 34 -10.371 -10.962 -2.943 1.00 0.00 C ATOM 471 O SER A 34 -10.323 -10.343 -1.877 1.00 0.00 O ATOM 472 CB SER A 34 -10.681 -9.780 -5.151 1.00 0.00 C ATOM 473 OG SER A 34 -11.515 -10.753 -5.748 1.00 0.00 O ATOM 0 H SER A 34 -9.418 -11.879 -5.685 1.00 0.00 H new ATOM 0 HA SER A 34 -8.962 -9.656 -3.889 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.291 -9.058 -4.609 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.148 -9.229 -5.926 1.00 0.00 H new ATOM 0 HG SER A 34 -11.243 -11.645 -5.448 1.00 0.00 H new ATOM 479 N ARG A 35 -11.004 -12.128 -3.086 1.00 0.00 N ATOM 480 CA ARG A 35 -11.665 -12.795 -1.965 1.00 0.00 C ATOM 481 C ARG A 35 -10.647 -13.156 -0.880 1.00 0.00 C ATOM 482 O ARG A 35 -10.929 -13.029 0.310 1.00 0.00 O ATOM 483 CB ARG A 35 -12.418 -14.047 -2.450 1.00 0.00 C ATOM 484 CG ARG A 35 -13.630 -13.738 -3.321 1.00 0.00 C ATOM 485 CD ARG A 35 -14.359 -15.008 -3.753 1.00 0.00 C ATOM 486 NE ARG A 35 -15.277 -15.519 -2.730 1.00 0.00 N ATOM 487 CZ ARG A 35 -15.309 -16.786 -2.308 1.00 0.00 C ATOM 488 NH1 ARG A 35 -14.382 -17.653 -2.701 1.00 0.00 N ATOM 489 NH2 ARG A 35 -16.265 -17.185 -1.482 1.00 0.00 N ATOM 0 H ARG A 35 -11.072 -12.631 -3.971 1.00 0.00 H new ATOM 0 HA ARG A 35 -12.392 -12.108 -1.533 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.730 -14.678 -3.012 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.743 -14.623 -1.583 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.317 -13.094 -2.772 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -13.311 -13.184 -4.204 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -14.918 -14.806 -4.667 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.625 -15.778 -3.992 1.00 0.00 H new ATOM 0 HE ARG A 35 -15.936 -14.862 -2.312 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.637 -17.353 -3.330 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.415 -18.618 -2.373 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -16.976 -16.525 -1.168 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.290 -18.152 -1.160 1.00 0.00 H new ATOM 503 N TYR A 36 -9.458 -13.587 -1.302 1.00 0.00 N ATOM 504 CA TYR A 36 -8.358 -13.867 -0.375 1.00 0.00 C ATOM 505 C TYR A 36 -8.139 -12.679 0.560 1.00 0.00 C ATOM 506 O TYR A 36 -8.044 -12.834 1.780 1.00 0.00 O ATOM 507 CB TYR A 36 -7.067 -14.171 -1.159 1.00 0.00 C ATOM 508 CG TYR A 36 -5.803 -14.179 -0.306 1.00 0.00 C ATOM 509 CD1 TYR A 36 -5.397 -15.323 0.375 1.00 0.00 C ATOM 510 CD2 TYR A 36 -5.017 -13.034 -0.184 1.00 0.00 C ATOM 511 CE1 TYR A 36 -4.250 -15.324 1.151 1.00 0.00 C ATOM 512 CE2 TYR A 36 -3.872 -13.029 0.588 1.00 0.00 C ATOM 513 CZ TYR A 36 -3.492 -14.174 1.254 1.00 0.00 C ATOM 514 OH TYR A 36 -2.352 -14.168 2.028 1.00 0.00 O ATOM 0 H TYR A 36 -9.230 -13.751 -2.283 1.00 0.00 H new ATOM 0 HA TYR A 36 -8.619 -14.740 0.224 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.170 -15.142 -1.644 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.953 -13.430 -1.950 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -5.986 -16.225 0.297 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.309 -12.133 -0.703 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -3.949 -16.220 1.673 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.277 -12.131 0.669 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.936 -13.281 1.991 1.00 0.00 H new ATOM 524 N ALA A 37 -8.075 -11.492 -0.031 1.00 0.00 N ATOM 525 CA ALA A 37 -7.851 -10.268 0.722 1.00 0.00 C ATOM 526 C ALA A 37 -9.042 -9.953 1.616 1.00 0.00 C ATOM 527 O ALA A 37 -8.869 -9.516 2.746 1.00 0.00 O ATOM 528 CB ALA A 37 -7.576 -9.111 -0.224 1.00 0.00 C ATOM 0 H ALA A 37 -8.176 -11.353 -1.036 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.979 -10.414 1.360 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.410 -8.201 0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.689 -9.330 -0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.431 -8.971 -0.885 1.00 0.00 H new ATOM 534 N ALA A 38 -10.247 -10.189 1.103 1.00 0.00 N ATOM 535 CA ALA A 38 -11.471 -9.944 1.865 1.00 0.00 C ATOM 536 C ALA A 38 -11.457 -10.739 3.165 1.00 0.00 C ATOM 537 O ALA A 38 -11.818 -10.230 4.228 1.00 0.00 O ATOM 538 CB ALA A 38 -12.697 -10.301 1.034 1.00 0.00 C ATOM 0 H ALA A 38 -10.403 -10.550 0.162 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.519 -8.883 2.110 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.599 -10.113 1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.714 -9.691 0.131 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.656 -11.355 0.759 1.00 0.00 H new ATOM 544 N TYR A 39 -11.006 -11.983 3.066 1.00 0.00 N ATOM 545 CA TYR A 39 -10.903 -12.865 4.221 1.00 0.00 C ATOM 546 C TYR A 39 -9.801 -12.364 5.160 1.00 0.00 C ATOM 547 O TYR A 39 -9.933 -12.422 6.383 1.00 0.00 O ATOM 548 CB TYR A 39 -10.612 -14.304 3.752 1.00 0.00 C ATOM 549 CG TYR A 39 -11.469 -15.373 4.411 1.00 0.00 C ATOM 550 CD1 TYR A 39 -12.763 -15.095 4.841 1.00 0.00 C ATOM 551 CD2 TYR A 39 -10.988 -16.664 4.586 1.00 0.00 C ATOM 552 CE1 TYR A 39 -13.547 -16.072 5.425 1.00 0.00 C ATOM 553 CE2 TYR A 39 -11.766 -17.645 5.165 1.00 0.00 C ATOM 554 CZ TYR A 39 -13.043 -17.346 5.584 1.00 0.00 C ATOM 555 OH TYR A 39 -13.821 -18.325 6.154 1.00 0.00 O ATOM 0 H TYR A 39 -10.703 -12.407 2.189 1.00 0.00 H new ATOM 0 HA TYR A 39 -11.847 -12.864 4.767 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -10.757 -14.356 2.673 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -9.563 -14.529 3.944 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -13.161 -14.099 4.716 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -9.986 -16.904 4.263 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -14.549 -15.839 5.755 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -11.375 -18.644 5.289 1.00 0.00 H new ATOM 0 HH TYR A 39 -14.755 -18.197 5.887 1.00 0.00 H new ATOM 565 N ALA A 40 -8.718 -11.857 4.567 1.00 0.00 N ATOM 566 CA ALA A 40 -7.602 -11.294 5.330 1.00 0.00 C ATOM 567 C ALA A 40 -7.993 -9.954 5.958 1.00 0.00 C ATOM 568 O ALA A 40 -7.391 -9.513 6.939 1.00 0.00 O ATOM 569 CB ALA A 40 -6.378 -11.129 4.432 1.00 0.00 C ATOM 0 H ALA A 40 -8.590 -11.825 3.556 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.353 -11.985 6.136 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.556 -10.710 5.011 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.084 -12.101 4.035 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.620 -10.459 3.607 1.00 0.00 H new ATOM 575 N LEU A 41 -9.004 -9.312 5.377 1.00 0.00 N ATOM 576 CA LEU A 41 -9.550 -8.058 5.895 1.00 0.00 C ATOM 577 C LEU A 41 -10.752 -8.345 6.792 1.00 0.00 C ATOM 578 O LEU A 41 -11.583 -7.469 7.036 1.00 0.00 O ATOM 579 CB LEU A 41 -9.955 -7.132 4.739 1.00 0.00 C ATOM 580 CG LEU A 41 -8.799 -6.646 3.850 1.00 0.00 C ATOM 581 CD1 LEU A 41 -9.328 -5.799 2.696 1.00 0.00 C ATOM 582 CD2 LEU A 41 -7.775 -5.863 4.672 1.00 0.00 C ATOM 0 H LEU A 41 -9.469 -9.646 4.533 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.782 -7.557 6.484 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.678 -7.655 4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.463 -6.261 5.154 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.300 -7.520 3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.495 -5.464 2.078 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.012 -6.395 2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.856 -4.932 3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.966 -5.529 4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.258 -4.997 5.125 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.370 -6.504 5.455 1.00 0.00 H new ATOM 594 N LYS A 42 -10.821 -9.592 7.269 1.00 0.00 N ATOM 595 CA LYS A 42 -11.867 -10.078 8.182 1.00 0.00 C ATOM 596 C LYS A 42 -13.282 -9.702 7.723 1.00 0.00 C ATOM 597 O LYS A 42 -14.216 -9.663 8.529 1.00 0.00 O ATOM 598 CB LYS A 42 -11.624 -9.638 9.651 1.00 0.00 C ATOM 599 CG LYS A 42 -11.772 -8.138 9.950 1.00 0.00 C ATOM 600 CD LYS A 42 -10.445 -7.382 9.856 1.00 0.00 C ATOM 601 CE LYS A 42 -9.432 -7.872 10.881 1.00 0.00 C ATOM 602 NZ LYS A 42 -9.907 -7.672 12.276 1.00 0.00 N ATOM 0 H LYS A 42 -10.137 -10.309 7.027 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.798 -11.165 8.149 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.318 -10.184 10.290 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.618 -9.946 9.938 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.484 -7.701 9.250 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.188 -8.010 10.949 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.032 -7.499 8.854 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.624 -6.317 10.004 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.232 -8.930 10.715 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.489 -7.343 10.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.123 -7.843 12.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.250 -6.697 12.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.681 -8.337 12.478 1.00 0.00 H new ATOM 616 N ASP A 43 -13.452 -9.463 6.425 1.00 0.00 N ATOM 617 CA ASP A 43 -14.780 -9.235 5.860 1.00 0.00 C ATOM 618 C ASP A 43 -15.247 -10.513 5.175 1.00 0.00 C ATOM 619 O ASP A 43 -15.146 -10.663 3.955 1.00 0.00 O ATOM 620 CB ASP A 43 -14.790 -8.059 4.868 1.00 0.00 C ATOM 621 CG ASP A 43 -16.208 -7.617 4.500 1.00 0.00 C ATOM 622 OD1 ASP A 43 -16.893 -8.334 3.742 1.00 0.00 O ATOM 623 OD2 ASP A 43 -16.643 -6.540 4.970 1.00 0.00 O ATOM 0 H ASP A 43 -12.691 -9.422 5.747 1.00 0.00 H new ATOM 0 HA ASP A 43 -15.461 -8.971 6.669 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -14.251 -7.217 5.302 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -14.256 -8.347 3.963 1.00 0.00 H new ATOM 628 N PHE A 44 -15.707 -11.457 5.986 1.00 0.00 N ATOM 629 CA PHE A 44 -16.182 -12.742 5.484 1.00 0.00 C ATOM 630 C PHE A 44 -17.473 -12.559 4.690 1.00 0.00 C ATOM 631 O PHE A 44 -17.847 -13.411 3.884 1.00 0.00 O ATOM 632 CB PHE A 44 -16.400 -13.722 6.647 1.00 0.00 C ATOM 633 CG PHE A 44 -17.494 -13.310 7.604 1.00 0.00 C ATOM 634 CD1 PHE A 44 -17.253 -12.372 8.597 1.00 0.00 C ATOM 635 CD2 PHE A 44 -18.765 -13.862 7.508 1.00 0.00 C ATOM 636 CE1 PHE A 44 -18.250 -11.994 9.472 1.00 0.00 C ATOM 637 CE2 PHE A 44 -19.765 -13.485 8.382 1.00 0.00 C ATOM 638 CZ PHE A 44 -19.508 -12.551 9.364 1.00 0.00 C ATOM 0 H PHE A 44 -15.762 -11.357 7.000 1.00 0.00 H new ATOM 0 HA PHE A 44 -15.424 -13.157 4.819 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -16.639 -14.705 6.240 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -15.467 -13.825 7.201 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -16.271 -11.931 8.686 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -18.973 -14.594 6.742 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -18.046 -11.263 10.241 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -20.749 -13.922 8.297 1.00 0.00 H new ATOM 0 HZ PHE A 44 -20.290 -12.256 10.048 1.00 0.00 H new ATOM 648 N ASP A 45 -18.140 -11.429 4.914 1.00 0.00 N ATOM 649 CA ASP A 45 -19.400 -11.134 4.240 1.00 0.00 C ATOM 650 C ASP A 45 -19.201 -11.106 2.729 1.00 0.00 C ATOM 651 O ASP A 45 -19.976 -11.713 1.988 1.00 0.00 O ATOM 652 CB ASP A 45 -19.979 -9.799 4.732 1.00 0.00 C ATOM 653 CG ASP A 45 -21.281 -9.424 4.031 1.00 0.00 C ATOM 654 OD1 ASP A 45 -22.232 -10.238 4.045 1.00 0.00 O ATOM 655 OD2 ASP A 45 -21.363 -8.310 3.469 1.00 0.00 O ATOM 0 H ASP A 45 -17.828 -10.702 5.558 1.00 0.00 H new ATOM 0 HA ASP A 45 -20.111 -11.924 4.481 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -20.154 -9.858 5.806 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -19.245 -9.009 4.572 1.00 0.00 H new ATOM 660 N TYR A 46 -18.138 -10.435 2.276 1.00 0.00 N ATOM 661 CA TYR A 46 -17.841 -10.351 0.847 1.00 0.00 C ATOM 662 C TYR A 46 -17.553 -11.736 0.283 1.00 0.00 C ATOM 663 O TYR A 46 -17.907 -12.036 -0.859 1.00 0.00 O ATOM 664 CB TYR A 46 -16.661 -9.411 0.561 1.00 0.00 C ATOM 665 CG TYR A 46 -16.373 -9.260 -0.923 1.00 0.00 C ATOM 666 CD1 TYR A 46 -17.259 -8.579 -1.751 1.00 0.00 C ATOM 667 CD2 TYR A 46 -15.225 -9.802 -1.497 1.00 0.00 C ATOM 668 CE1 TYR A 46 -17.013 -8.444 -3.102 1.00 0.00 C ATOM 669 CE2 TYR A 46 -14.972 -9.667 -2.850 1.00 0.00 C ATOM 670 CZ TYR A 46 -15.869 -8.989 -3.646 1.00 0.00 C ATOM 671 OH TYR A 46 -15.623 -8.851 -4.994 1.00 0.00 O ATOM 0 H TYR A 46 -17.474 -9.946 2.876 1.00 0.00 H new ATOM 0 HA TYR A 46 -18.722 -9.937 0.356 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -16.873 -8.430 0.987 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -15.771 -9.791 1.062 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -18.155 -8.148 -1.329 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -14.521 -10.336 -0.876 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -17.713 -7.914 -3.731 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -14.076 -10.091 -3.280 1.00 0.00 H new ATOM 0 HH TYR A 46 -15.922 -7.967 -5.292 1.00 0.00 H new ATOM 681 N ILE A 47 -16.912 -12.577 1.090 1.00 0.00 N ATOM 682 CA ILE A 47 -16.653 -13.961 0.706 1.00 0.00 C ATOM 683 C ILE A 47 -17.965 -14.643 0.360 1.00 0.00 C ATOM 684 O ILE A 47 -18.090 -15.298 -0.677 1.00 0.00 O ATOM 685 CB ILE A 47 -15.961 -14.753 1.841 1.00 0.00 C ATOM 686 CG1 ILE A 47 -14.603 -14.125 2.178 1.00 0.00 C ATOM 687 CG2 ILE A 47 -15.806 -16.229 1.464 1.00 0.00 C ATOM 688 CD1 ILE A 47 -13.623 -14.129 1.026 1.00 0.00 C ATOM 0 H ILE A 47 -16.562 -12.324 2.014 1.00 0.00 H new ATOM 0 HA ILE A 47 -15.986 -13.947 -0.156 1.00 0.00 H new ATOM 0 HB ILE A 47 -16.591 -14.703 2.729 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -14.760 -13.097 2.505 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -14.163 -14.663 3.018 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -15.317 -16.763 2.279 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -16.789 -16.664 1.284 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -15.201 -16.312 0.561 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.687 -13.669 1.343 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -13.434 -15.156 0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -14.040 -13.566 0.191 1.00 0.00 H new ATOM 700 N VAL A 48 -18.939 -14.465 1.240 1.00 0.00 N ATOM 701 CA VAL A 48 -20.260 -15.040 1.060 1.00 0.00 C ATOM 702 C VAL A 48 -20.967 -14.390 -0.134 1.00 0.00 C ATOM 703 O VAL A 48 -21.669 -15.064 -0.886 1.00 0.00 O ATOM 704 CB VAL A 48 -21.112 -14.883 2.347 1.00 0.00 C ATOM 705 CG1 VAL A 48 -22.451 -15.598 2.218 1.00 0.00 C ATOM 706 CG2 VAL A 48 -20.350 -15.404 3.560 1.00 0.00 C ATOM 0 H VAL A 48 -18.835 -13.920 2.096 1.00 0.00 H new ATOM 0 HA VAL A 48 -20.144 -16.105 0.859 1.00 0.00 H new ATOM 0 HB VAL A 48 -21.310 -13.820 2.485 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -23.023 -15.468 3.137 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -23.009 -15.178 1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -22.281 -16.660 2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -20.963 -15.286 4.453 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -20.116 -16.459 3.417 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -19.425 -14.840 3.678 1.00 0.00 H new ATOM 716 N GLU A 49 -20.744 -13.084 -0.322 1.00 0.00 N ATOM 717 CA GLU A 49 -21.344 -12.343 -1.439 1.00 0.00 C ATOM 718 C GLU A 49 -20.876 -12.902 -2.782 1.00 0.00 C ATOM 719 O GLU A 49 -21.652 -12.981 -3.736 1.00 0.00 O ATOM 720 CB GLU A 49 -20.987 -10.849 -1.373 1.00 0.00 C ATOM 721 CG GLU A 49 -21.506 -10.128 -0.137 1.00 0.00 C ATOM 722 CD GLU A 49 -21.254 -8.629 -0.189 1.00 0.00 C ATOM 723 OE1 GLU A 49 -20.099 -8.202 0.011 1.00 0.00 O ATOM 724 OE2 GLU A 49 -22.218 -7.870 -0.430 1.00 0.00 O ATOM 0 H GLU A 49 -20.152 -12.518 0.285 1.00 0.00 H new ATOM 0 HA GLU A 49 -22.424 -12.459 -1.353 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -19.902 -10.746 -1.409 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -21.384 -10.354 -2.260 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -22.576 -10.310 -0.036 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -21.027 -10.543 0.750 1.00 0.00 H new ATOM 731 N THR A 50 -19.601 -13.274 -2.847 1.00 0.00 N ATOM 732 CA THR A 50 -19.001 -13.780 -4.080 1.00 0.00 C ATOM 733 C THR A 50 -19.022 -15.305 -4.131 1.00 0.00 C ATOM 734 O THR A 50 -18.289 -15.924 -4.907 1.00 0.00 O ATOM 735 CB THR A 50 -17.554 -13.266 -4.244 1.00 0.00 C ATOM 736 OG1 THR A 50 -16.879 -13.292 -2.977 1.00 0.00 O ATOM 737 CG2 THR A 50 -17.536 -11.850 -4.812 1.00 0.00 C ATOM 0 H THR A 50 -18.959 -13.234 -2.055 1.00 0.00 H new ATOM 0 HA THR A 50 -19.603 -13.404 -4.907 1.00 0.00 H new ATOM 0 HB THR A 50 -17.037 -13.922 -4.944 1.00 0.00 H new ATOM 0 HG1 THR A 50 -17.198 -12.550 -2.421 1.00 0.00 H new ATOM 0 HG21 THR A 50 -16.505 -11.513 -4.917 1.00 0.00 H new ATOM 0 HG22 THR A 50 -18.021 -11.843 -5.788 1.00 0.00 H new ATOM 0 HG23 THR A 50 -18.069 -11.180 -4.137 1.00 0.00 H new ATOM 745 N THR A 51 -19.865 -15.909 -3.306 1.00 0.00 N ATOM 746 CA THR A 51 -20.108 -17.337 -3.387 1.00 0.00 C ATOM 747 C THR A 51 -21.284 -17.583 -4.328 1.00 0.00 C ATOM 748 O THR A 51 -22.142 -16.712 -4.490 1.00 0.00 O ATOM 749 CB THR A 51 -20.413 -17.951 -2.005 1.00 0.00 C ATOM 750 OG1 THR A 51 -19.346 -17.640 -1.099 1.00 0.00 O ATOM 751 CG2 THR A 51 -20.572 -19.468 -2.099 1.00 0.00 C ATOM 0 H THR A 51 -20.391 -15.431 -2.574 1.00 0.00 H new ATOM 0 HA THR A 51 -19.205 -17.816 -3.765 1.00 0.00 H new ATOM 0 HB THR A 51 -21.350 -17.529 -1.641 1.00 0.00 H new ATOM 0 HG1 THR A 51 -19.373 -18.256 -0.338 1.00 0.00 H new ATOM 0 HG21 THR A 51 -20.786 -19.873 -1.110 1.00 0.00 H new ATOM 0 HG22 THR A 51 -21.393 -19.707 -2.775 1.00 0.00 H new ATOM 0 HG23 THR A 51 -19.650 -19.908 -2.479 1.00 0.00 H new ATOM 759 N ASP A 52 -21.306 -18.752 -4.955 1.00 0.00 N ATOM 760 CA ASP A 52 -22.373 -19.122 -5.879 1.00 0.00 C ATOM 761 C ASP A 52 -23.739 -18.928 -5.220 1.00 0.00 C ATOM 762 O ASP A 52 -23.935 -19.349 -4.081 1.00 0.00 O ATOM 763 CB ASP A 52 -22.210 -20.585 -6.290 1.00 0.00 C ATOM 764 CG ASP A 52 -23.092 -20.991 -7.462 1.00 0.00 C ATOM 765 OD1 ASP A 52 -24.298 -21.237 -7.246 1.00 0.00 O ATOM 766 OD2 ASP A 52 -22.577 -21.091 -8.593 1.00 0.00 O ATOM 0 H ASP A 52 -20.589 -19.468 -4.839 1.00 0.00 H new ATOM 0 HA ASP A 52 -22.312 -18.483 -6.760 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -21.167 -20.766 -6.551 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -22.440 -21.221 -5.436 1.00 0.00 H new ATOM 771 N PRO A 53 -24.689 -18.288 -5.930 1.00 0.00 N ATOM 772 CA PRO A 53 -26.056 -18.050 -5.446 1.00 0.00 C ATOM 773 C PRO A 53 -26.637 -19.260 -4.712 1.00 0.00 C ATOM 774 O PRO A 53 -27.428 -19.123 -3.775 1.00 0.00 O ATOM 775 CB PRO A 53 -26.859 -17.777 -6.740 1.00 0.00 C ATOM 776 CG PRO A 53 -25.870 -17.798 -7.873 1.00 0.00 C ATOM 777 CD PRO A 53 -24.496 -17.726 -7.266 1.00 0.00 C ATOM 0 HA PRO A 53 -26.089 -17.233 -4.725 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -27.630 -18.534 -6.885 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -27.365 -16.813 -6.686 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -25.982 -18.707 -8.465 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -26.038 -16.957 -8.546 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -23.771 -18.300 -7.843 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -24.129 -16.701 -7.222 1.00 0.00 H new ATOM 785 N GLU A 54 -26.231 -20.441 -5.154 1.00 0.00 N ATOM 786 CA GLU A 54 -26.736 -21.696 -4.619 1.00 0.00 C ATOM 787 C GLU A 54 -25.844 -22.222 -3.489 1.00 0.00 C ATOM 788 O GLU A 54 -26.340 -22.644 -2.443 1.00 0.00 O ATOM 789 CB GLU A 54 -26.830 -22.708 -5.761 1.00 0.00 C ATOM 790 CG GLU A 54 -27.772 -22.254 -6.872 1.00 0.00 C ATOM 791 CD GLU A 54 -27.803 -23.201 -8.057 1.00 0.00 C ATOM 792 OE1 GLU A 54 -28.316 -24.327 -7.908 1.00 0.00 O ATOM 793 OE2 GLU A 54 -27.333 -22.816 -9.149 1.00 0.00 O ATOM 0 H GLU A 54 -25.540 -20.556 -5.896 1.00 0.00 H new ATOM 0 HA GLU A 54 -27.724 -21.534 -4.189 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -25.836 -22.874 -6.177 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -27.174 -23.664 -5.367 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -28.779 -22.156 -6.467 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -27.469 -21.265 -7.214 1.00 0.00 H new ATOM 800 N ARG A 55 -24.527 -22.177 -3.693 1.00 0.00 N ATOM 801 CA ARG A 55 -23.576 -22.672 -2.689 1.00 0.00 C ATOM 802 C ARG A 55 -23.581 -21.769 -1.456 1.00 0.00 C ATOM 803 O ARG A 55 -23.225 -22.195 -0.359 1.00 0.00 O ATOM 804 CB ARG A 55 -22.151 -22.744 -3.261 1.00 0.00 C ATOM 805 CG ARG A 55 -22.032 -23.536 -4.558 1.00 0.00 C ATOM 806 CD ARG A 55 -22.394 -25.008 -4.393 1.00 0.00 C ATOM 807 NE ARG A 55 -22.459 -25.689 -5.690 1.00 0.00 N ATOM 808 CZ ARG A 55 -21.567 -26.582 -6.128 1.00 0.00 C ATOM 809 NH1 ARG A 55 -20.529 -26.925 -5.378 1.00 0.00 N ATOM 810 NH2 ARG A 55 -21.710 -27.128 -7.327 1.00 0.00 N ATOM 0 H ARG A 55 -24.093 -21.806 -4.538 1.00 0.00 H new ATOM 0 HA ARG A 55 -23.891 -23.676 -2.405 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -21.791 -21.730 -3.434 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -21.495 -23.192 -2.515 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -22.682 -23.090 -5.311 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -21.011 -23.458 -4.932 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -21.655 -25.498 -3.759 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -23.355 -25.094 -3.886 1.00 0.00 H new ATOM 0 HE ARG A 55 -23.243 -25.464 -6.303 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -20.405 -26.506 -4.456 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -19.854 -27.608 -5.723 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -22.501 -26.866 -7.915 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -21.029 -27.810 -7.661 1.00 0.00 H new ATOM 824 N ARG A 56 -23.996 -20.523 -1.653 1.00 0.00 N ATOM 825 CA ARG A 56 -24.017 -19.523 -0.590 1.00 0.00 C ATOM 826 C ARG A 56 -24.962 -19.941 0.535 1.00 0.00 C ATOM 827 O ARG A 56 -24.751 -19.595 1.699 1.00 0.00 O ATOM 828 CB ARG A 56 -24.429 -18.163 -1.171 1.00 0.00 C ATOM 829 CG ARG A 56 -24.474 -17.034 -0.149 1.00 0.00 C ATOM 830 CD ARG A 56 -24.676 -15.680 -0.817 1.00 0.00 C ATOM 831 NE ARG A 56 -24.748 -14.584 0.153 1.00 0.00 N ATOM 832 CZ ARG A 56 -25.597 -13.561 0.076 1.00 0.00 C ATOM 833 NH1 ARG A 56 -26.499 -13.508 -0.897 1.00 0.00 N ATOM 834 NH2 ARG A 56 -25.537 -12.587 0.973 1.00 0.00 N ATOM 0 H ARG A 56 -24.327 -20.177 -2.553 1.00 0.00 H new ATOM 0 HA ARG A 56 -23.017 -19.439 -0.166 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -23.731 -17.893 -1.963 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -25.412 -18.260 -1.632 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -25.283 -17.215 0.559 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -23.546 -17.023 0.423 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -23.856 -15.494 -1.511 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -25.593 -15.701 -1.406 1.00 0.00 H new ATOM 0 HE ARG A 56 -24.103 -14.606 0.943 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -26.545 -14.254 -1.591 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -27.146 -12.722 -0.950 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -24.842 -12.623 1.719 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -26.186 -11.802 0.917 1.00 0.00 H new ATOM 848 N ASP A 57 -25.989 -20.706 0.181 1.00 0.00 N ATOM 849 CA ASP A 57 -26.957 -21.203 1.158 1.00 0.00 C ATOM 850 C ASP A 57 -26.297 -22.200 2.113 1.00 0.00 C ATOM 851 O ASP A 57 -26.730 -22.366 3.254 1.00 0.00 O ATOM 852 CB ASP A 57 -28.142 -21.860 0.437 1.00 0.00 C ATOM 853 CG ASP A 57 -29.171 -22.442 1.396 1.00 0.00 C ATOM 854 OD1 ASP A 57 -29.746 -21.676 2.200 1.00 0.00 O ATOM 855 OD2 ASP A 57 -29.411 -23.670 1.348 1.00 0.00 O ATOM 0 H ASP A 57 -26.175 -20.998 -0.779 1.00 0.00 H new ATOM 0 HA ASP A 57 -27.323 -20.360 1.744 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -28.626 -21.122 -0.203 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -27.771 -22.652 -0.214 1.00 0.00 H new ATOM 860 N LEU A 58 -25.233 -22.844 1.638 1.00 0.00 N ATOM 861 CA LEU A 58 -24.507 -23.840 2.426 1.00 0.00 C ATOM 862 C LEU A 58 -23.607 -23.160 3.460 1.00 0.00 C ATOM 863 O LEU A 58 -23.168 -23.786 4.430 1.00 0.00 O ATOM 864 CB LEU A 58 -23.659 -24.733 1.504 1.00 0.00 C ATOM 865 CG LEU A 58 -24.418 -25.392 0.338 1.00 0.00 C ATOM 866 CD1 LEU A 58 -23.473 -26.239 -0.515 1.00 0.00 C ATOM 867 CD2 LEU A 58 -25.582 -26.233 0.856 1.00 0.00 C ATOM 0 H LEU A 58 -24.852 -22.693 0.704 1.00 0.00 H new ATOM 0 HA LEU A 58 -25.236 -24.458 2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -22.847 -24.133 1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -23.202 -25.518 2.107 1.00 0.00 H new ATOM 0 HG LEU A 58 -24.825 -24.601 -0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -24.031 -26.695 -1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -22.685 -25.606 -0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -23.029 -27.021 0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -26.104 -26.689 0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -25.202 -27.014 1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -26.272 -25.597 1.410 1.00 0.00 H new ATOM 879 N PHE A 59 -23.338 -21.876 3.242 1.00 0.00 N ATOM 880 CA PHE A 59 -22.457 -21.104 4.116 1.00 0.00 C ATOM 881 C PHE A 59 -23.177 -20.679 5.395 1.00 0.00 C ATOM 882 O PHE A 59 -24.406 -20.759 5.489 1.00 0.00 O ATOM 883 CB PHE A 59 -21.924 -19.864 3.373 1.00 0.00 C ATOM 884 CG PHE A 59 -20.795 -20.155 2.408 1.00 0.00 C ATOM 885 CD1 PHE A 59 -20.720 -21.370 1.736 1.00 0.00 C ATOM 886 CD2 PHE A 59 -19.802 -19.211 2.182 1.00 0.00 C ATOM 887 CE1 PHE A 59 -19.679 -21.634 0.864 1.00 0.00 C ATOM 888 CE2 PHE A 59 -18.761 -19.471 1.310 1.00 0.00 C ATOM 889 CZ PHE A 59 -18.699 -20.684 0.652 1.00 0.00 C ATOM 0 H PHE A 59 -23.721 -21.343 2.461 1.00 0.00 H new ATOM 0 HA PHE A 59 -21.619 -21.742 4.396 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -22.745 -19.402 2.825 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -21.581 -19.135 4.107 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -21.484 -22.117 1.897 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -19.843 -18.261 2.694 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -19.633 -22.582 0.349 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -17.997 -18.726 1.143 1.00 0.00 H new ATOM 0 HZ PHE A 59 -17.885 -20.889 -0.028 1.00 0.00 H new ATOM 899 N ASP A 60 -22.398 -20.241 6.378 1.00 0.00 N ATOM 900 CA ASP A 60 -22.930 -19.713 7.632 1.00 0.00 C ATOM 901 C ASP A 60 -22.001 -18.630 8.164 1.00 0.00 C ATOM 902 O ASP A 60 -20.784 -18.799 8.160 1.00 0.00 O ATOM 903 CB ASP A 60 -23.091 -20.821 8.680 1.00 0.00 C ATOM 904 CG ASP A 60 -23.572 -20.277 10.018 1.00 0.00 C ATOM 905 OD1 ASP A 60 -24.793 -20.072 10.177 1.00 0.00 O ATOM 906 OD2 ASP A 60 -22.733 -20.036 10.910 1.00 0.00 O ATOM 0 H ASP A 60 -21.379 -20.241 6.329 1.00 0.00 H new ATOM 0 HA ASP A 60 -23.915 -19.291 7.434 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -23.800 -21.564 8.315 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -22.137 -21.331 8.818 1.00 0.00 H new ATOM 911 N HIS A 61 -22.581 -17.529 8.629 1.00 0.00 N ATOM 912 CA HIS A 61 -21.808 -16.370 9.074 1.00 0.00 C ATOM 913 C HIS A 61 -20.835 -16.731 10.199 1.00 0.00 C ATOM 914 O HIS A 61 -19.659 -16.360 10.152 1.00 0.00 O ATOM 915 CB HIS A 61 -22.745 -15.245 9.532 1.00 0.00 C ATOM 916 CG HIS A 61 -23.616 -14.704 8.437 1.00 0.00 C ATOM 917 ND1 HIS A 61 -24.951 -15.021 8.308 1.00 0.00 N ATOM 918 CD2 HIS A 61 -23.334 -13.859 7.416 1.00 0.00 C ATOM 919 CE1 HIS A 61 -25.450 -14.399 7.256 1.00 0.00 C ATOM 920 NE2 HIS A 61 -24.490 -13.687 6.699 1.00 0.00 N ATOM 0 H HIS A 61 -23.591 -17.413 8.709 1.00 0.00 H new ATOM 0 HA HIS A 61 -21.220 -16.026 8.223 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -23.378 -15.617 10.338 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -22.148 -14.432 9.945 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -22.377 -13.405 7.206 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -26.471 -14.462 6.910 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -24.591 -13.103 5.869 1.00 0.00 H new ATOM 929 N ASP A 62 -21.322 -17.466 11.195 1.00 0.00 N ATOM 930 CA ASP A 62 -20.515 -17.808 12.367 1.00 0.00 C ATOM 931 C ASP A 62 -19.380 -18.748 11.987 1.00 0.00 C ATOM 932 O ASP A 62 -18.215 -18.485 12.295 1.00 0.00 O ATOM 933 CB ASP A 62 -21.381 -18.451 13.459 1.00 0.00 C ATOM 934 CG ASP A 62 -22.361 -17.474 14.086 1.00 0.00 C ATOM 935 OD1 ASP A 62 -23.443 -17.248 13.502 1.00 0.00 O ATOM 936 OD2 ASP A 62 -22.058 -16.931 15.172 1.00 0.00 O ATOM 0 H ASP A 62 -22.272 -17.837 11.216 1.00 0.00 H new ATOM 0 HA ASP A 62 -20.089 -16.884 12.757 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -21.933 -19.288 13.032 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -20.734 -18.859 14.236 1.00 0.00 H new ATOM 941 N VAL A 63 -19.725 -19.836 11.306 1.00 0.00 N ATOM 942 CA VAL A 63 -18.740 -20.835 10.899 1.00 0.00 C ATOM 943 C VAL A 63 -17.706 -20.225 9.952 1.00 0.00 C ATOM 944 O VAL A 63 -16.508 -20.509 10.055 1.00 0.00 O ATOM 945 CB VAL A 63 -19.414 -22.053 10.215 1.00 0.00 C ATOM 946 CG1 VAL A 63 -18.377 -23.102 9.812 1.00 0.00 C ATOM 947 CG2 VAL A 63 -20.473 -22.666 11.128 1.00 0.00 C ATOM 0 H VAL A 63 -20.681 -20.050 11.023 1.00 0.00 H new ATOM 0 HA VAL A 63 -18.239 -21.179 11.804 1.00 0.00 H new ATOM 0 HB VAL A 63 -19.904 -21.699 9.308 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -18.878 -23.944 9.335 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -17.665 -22.661 9.114 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -17.848 -23.450 10.699 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -20.934 -23.519 10.629 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -20.006 -22.997 12.056 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -21.236 -21.921 11.352 1.00 0.00 H new ATOM 957 N ASN A 64 -18.176 -19.378 9.040 1.00 0.00 N ATOM 958 CA ASN A 64 -17.301 -18.728 8.065 1.00 0.00 C ATOM 959 C ASN A 64 -16.290 -17.833 8.779 1.00 0.00 C ATOM 960 O ASN A 64 -15.085 -17.905 8.520 1.00 0.00 O ATOM 961 CB ASN A 64 -18.130 -17.905 7.064 1.00 0.00 C ATOM 962 CG ASN A 64 -17.325 -17.425 5.863 1.00 0.00 C ATOM 963 OD1 ASN A 64 -16.391 -18.241 5.398 1.00 0.00 O flip ATOM 964 ND2 ASN A 64 -17.565 -16.341 5.336 1.00 0.00 N flip ATOM 0 H ASN A 64 -19.160 -19.124 8.955 1.00 0.00 H new ATOM 0 HA ASN A 64 -16.760 -19.498 7.515 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -18.967 -18.509 6.713 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -18.553 -17.041 7.577 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -18.291 -15.737 5.720 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -17.038 -16.046 4.514 1.00 0.00 H new ATOM 971 N ARG A 65 -16.786 -17.011 9.703 1.00 0.00 N ATOM 972 CA ARG A 65 -15.929 -16.122 10.481 1.00 0.00 C ATOM 973 C ARG A 65 -14.909 -16.930 11.279 1.00 0.00 C ATOM 974 O ARG A 65 -13.712 -16.655 11.225 1.00 0.00 O ATOM 975 CB ARG A 65 -16.766 -15.243 11.427 1.00 0.00 C ATOM 976 CG ARG A 65 -15.928 -14.276 12.262 1.00 0.00 C ATOM 977 CD ARG A 65 -16.784 -13.328 13.094 1.00 0.00 C ATOM 978 NE ARG A 65 -17.580 -14.032 14.103 1.00 0.00 N ATOM 979 CZ ARG A 65 -17.493 -13.811 15.418 1.00 0.00 C ATOM 980 NH1 ARG A 65 -16.620 -12.931 15.897 1.00 0.00 N ATOM 981 NH2 ARG A 65 -18.278 -14.475 16.256 1.00 0.00 N ATOM 0 H ARG A 65 -17.778 -16.943 9.930 1.00 0.00 H new ATOM 0 HA ARG A 65 -15.398 -15.471 9.787 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -17.486 -14.673 10.839 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -17.339 -15.886 12.096 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -15.274 -14.845 12.923 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -15.285 -13.694 11.602 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -16.140 -12.600 13.587 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -17.449 -12.771 12.435 1.00 0.00 H new ATOM 0 HE ARG A 65 -18.244 -14.736 13.781 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -16.010 -12.419 15.260 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -16.560 -12.768 16.902 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.948 -15.155 15.897 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -18.211 -14.306 17.260 1.00 0.00 H new ATOM 995 N ALA A 66 -15.395 -17.955 11.975 1.00 0.00 N ATOM 996 CA ALA A 66 -14.569 -18.754 12.883 1.00 0.00 C ATOM 997 C ALA A 66 -13.257 -19.204 12.235 1.00 0.00 C ATOM 998 O ALA A 66 -12.212 -19.227 12.890 1.00 0.00 O ATOM 999 CB ALA A 66 -15.353 -19.963 13.374 1.00 0.00 C ATOM 0 H ALA A 66 -16.368 -18.256 11.927 1.00 0.00 H new ATOM 0 HA ALA A 66 -14.309 -18.117 13.729 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -14.730 -20.551 14.048 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -16.245 -19.628 13.903 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -15.646 -20.577 12.522 1.00 0.00 H new ATOM 1005 N TRP A 67 -13.313 -19.549 10.950 1.00 0.00 N ATOM 1006 CA TRP A 67 -12.128 -20.025 10.241 1.00 0.00 C ATOM 1007 C TRP A 67 -11.091 -18.911 10.094 1.00 0.00 C ATOM 1008 O TRP A 67 -9.930 -19.084 10.461 1.00 0.00 O ATOM 1009 CB TRP A 67 -12.497 -20.588 8.861 1.00 0.00 C ATOM 1010 CG TRP A 67 -11.306 -21.094 8.095 1.00 0.00 C ATOM 1011 CD1 TRP A 67 -10.715 -20.509 7.012 1.00 0.00 C ATOM 1012 CD2 TRP A 67 -10.548 -22.280 8.372 1.00 0.00 C ATOM 1013 NE1 TRP A 67 -9.644 -21.260 6.595 1.00 0.00 N ATOM 1014 CE2 TRP A 67 -9.521 -22.352 7.412 1.00 0.00 C ATOM 1015 CE3 TRP A 67 -10.640 -23.289 9.336 1.00 0.00 C ATOM 1016 CZ2 TRP A 67 -8.593 -23.390 7.388 1.00 0.00 C ATOM 1017 CZ3 TRP A 67 -9.718 -24.320 9.310 1.00 0.00 C ATOM 1018 CH2 TRP A 67 -8.706 -24.363 8.343 1.00 0.00 C ATOM 0 H TRP A 67 -14.160 -19.508 10.383 1.00 0.00 H new ATOM 0 HA TRP A 67 -11.692 -20.828 10.836 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -13.213 -21.400 8.986 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -12.993 -19.812 8.279 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -11.042 -19.589 6.550 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -9.038 -21.040 5.805 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -11.416 -23.264 10.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -7.812 -23.426 6.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -9.780 -25.106 10.049 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -8.001 -25.181 8.351 1.00 0.00 H new ATOM 1029 N MET A 68 -11.516 -17.757 9.578 1.00 0.00 N ATOM 1030 CA MET A 68 -10.590 -16.649 9.327 1.00 0.00 C ATOM 1031 C MET A 68 -10.033 -16.105 10.644 1.00 0.00 C ATOM 1032 O MET A 68 -8.995 -15.442 10.666 1.00 0.00 O ATOM 1033 CB MET A 68 -11.273 -15.523 8.537 1.00 0.00 C ATOM 1034 CG MET A 68 -12.302 -14.740 9.339 1.00 0.00 C ATOM 1035 SD MET A 68 -13.041 -13.392 8.401 1.00 0.00 S ATOM 1036 CE MET A 68 -14.041 -12.632 9.672 1.00 0.00 C ATOM 0 H MET A 68 -12.486 -17.565 9.327 1.00 0.00 H new ATOM 0 HA MET A 68 -9.765 -17.034 8.728 1.00 0.00 H new ATOM 0 HB2 MET A 68 -10.511 -14.834 8.173 1.00 0.00 H new ATOM 0 HB3 MET A 68 -11.760 -15.951 7.661 1.00 0.00 H new ATOM 0 HG2 MET A 68 -13.088 -15.418 9.673 1.00 0.00 H new ATOM 0 HG3 MET A 68 -11.828 -14.337 10.234 1.00 0.00 H new ATOM 0 HE1 MET A 68 -14.266 -11.603 9.391 1.00 0.00 H new ATOM 0 HE2 MET A 68 -14.971 -13.189 9.785 1.00 0.00 H new ATOM 0 HE3 MET A 68 -13.497 -12.640 10.616 1.00 0.00 H new ATOM 1046 N GLU A 69 -10.735 -16.389 11.739 1.00 0.00 N ATOM 1047 CA GLU A 69 -10.291 -15.983 13.070 1.00 0.00 C ATOM 1048 C GLU A 69 -9.046 -16.769 13.476 1.00 0.00 C ATOM 1049 O GLU A 69 -8.181 -16.260 14.191 1.00 0.00 O ATOM 1050 CB GLU A 69 -11.415 -16.199 14.094 1.00 0.00 C ATOM 1051 CG GLU A 69 -12.697 -15.441 13.766 1.00 0.00 C ATOM 1052 CD GLU A 69 -12.526 -13.931 13.806 1.00 0.00 C ATOM 1053 OE1 GLU A 69 -12.643 -13.345 14.903 1.00 0.00 O ATOM 1054 OE2 GLU A 69 -12.278 -13.325 12.741 1.00 0.00 O ATOM 0 H GLU A 69 -11.617 -16.901 11.730 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.040 -14.923 13.046 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.639 -17.264 14.155 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.062 -15.890 15.078 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.042 -15.735 12.775 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.474 -15.731 14.473 1.00 0.00 H new ATOM 1061 N GLU A 70 -8.960 -18.013 13.008 1.00 0.00 N ATOM 1062 CA GLU A 70 -7.814 -18.874 13.298 1.00 0.00 C ATOM 1063 C GLU A 70 -6.943 -19.055 12.053 1.00 0.00 C ATOM 1064 O GLU A 70 -6.036 -19.889 12.034 1.00 0.00 O ATOM 1065 CB GLU A 70 -8.290 -20.240 13.822 1.00 0.00 C ATOM 1066 CG GLU A 70 -9.107 -21.044 12.815 1.00 0.00 C ATOM 1067 CD GLU A 70 -9.561 -22.387 13.365 1.00 0.00 C ATOM 1068 OE1 GLU A 70 -8.727 -23.316 13.448 1.00 0.00 O ATOM 1069 OE2 GLU A 70 -10.751 -22.519 13.729 1.00 0.00 O ATOM 0 H GLU A 70 -9.673 -18.449 12.424 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.212 -18.394 14.070 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.420 -20.826 14.119 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.890 -20.084 14.718 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.981 -20.464 12.517 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.511 -21.207 11.917 1.00 0.00 H new ATOM 1076 N SER A 71 -7.216 -18.263 11.019 1.00 0.00 N ATOM 1077 CA SER A 71 -6.467 -18.339 9.768 1.00 0.00 C ATOM 1078 C SER A 71 -5.817 -16.992 9.446 1.00 0.00 C ATOM 1079 O SER A 71 -6.372 -16.177 8.707 1.00 0.00 O ATOM 1080 CB SER A 71 -7.387 -18.787 8.621 1.00 0.00 C ATOM 1081 OG SER A 71 -6.681 -18.875 7.393 1.00 0.00 O ATOM 0 H SER A 71 -7.954 -17.559 11.024 1.00 0.00 H new ATOM 0 HA SER A 71 -5.675 -19.079 9.883 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.824 -19.756 8.861 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.212 -18.082 8.518 1.00 0.00 H new ATOM 0 HG SER A 71 -7.075 -18.255 6.744 1.00 0.00 H new ATOM 1087 N ASP A 72 -4.645 -16.762 10.030 1.00 0.00 N ATOM 1088 CA ASP A 72 -3.876 -15.541 9.786 1.00 0.00 C ATOM 1089 C ASP A 72 -3.180 -15.635 8.431 1.00 0.00 C ATOM 1090 O ASP A 72 -2.229 -16.387 8.279 1.00 0.00 O ATOM 1091 CB ASP A 72 -2.844 -15.346 10.913 1.00 0.00 C ATOM 1092 CG ASP A 72 -1.954 -14.124 10.724 1.00 0.00 C ATOM 1093 OD1 ASP A 72 -2.454 -13.072 10.273 1.00 0.00 O ATOM 1094 OD2 ASP A 72 -0.746 -14.206 11.046 1.00 0.00 O ATOM 0 H ASP A 72 -4.202 -17.410 10.681 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.547 -14.682 9.774 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.370 -15.258 11.864 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.217 -16.235 10.977 1.00 0.00 H new ATOM 1099 N PHE A 73 -3.675 -14.897 7.441 1.00 0.00 N ATOM 1100 CA PHE A 73 -3.154 -14.990 6.072 1.00 0.00 C ATOM 1101 C PHE A 73 -1.835 -14.234 5.917 1.00 0.00 C ATOM 1102 O PHE A 73 -1.741 -13.050 6.252 1.00 0.00 O ATOM 1103 CB PHE A 73 -4.190 -14.468 5.069 1.00 0.00 C ATOM 1104 CG PHE A 73 -5.430 -15.323 5.009 1.00 0.00 C ATOM 1105 CD1 PHE A 73 -5.449 -16.483 4.246 1.00 0.00 C ATOM 1106 CD2 PHE A 73 -6.567 -14.978 5.723 1.00 0.00 C ATOM 1107 CE1 PHE A 73 -6.576 -17.277 4.196 1.00 0.00 C ATOM 1108 CE2 PHE A 73 -7.696 -15.772 5.678 1.00 0.00 C ATOM 1109 CZ PHE A 73 -7.699 -16.923 4.913 1.00 0.00 C ATOM 0 H PHE A 73 -4.436 -14.227 7.557 1.00 0.00 H new ATOM 0 HA PHE A 73 -2.958 -16.042 5.864 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.469 -13.450 5.340 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -3.738 -14.422 4.078 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.571 -16.767 3.685 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.570 -14.079 6.321 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.579 -18.175 3.596 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.575 -15.494 6.240 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.581 -17.545 4.877 1.00 0.00 H new ATOM 1119 N LEU A 74 -0.818 -14.930 5.401 1.00 0.00 N ATOM 1120 CA LEU A 74 0.515 -14.355 5.229 1.00 0.00 C ATOM 1121 C LEU A 74 0.819 -14.057 3.756 1.00 0.00 C ATOM 1122 O LEU A 74 1.174 -12.926 3.406 1.00 0.00 O ATOM 1123 CB LEU A 74 1.601 -15.293 5.799 1.00 0.00 C ATOM 1124 CG LEU A 74 1.777 -15.277 7.332 1.00 0.00 C ATOM 1125 CD1 LEU A 74 0.529 -15.765 8.047 1.00 0.00 C ATOM 1126 CD2 LEU A 74 2.979 -16.118 7.743 1.00 0.00 C ATOM 0 H LEU A 74 -0.896 -15.899 5.094 1.00 0.00 H new ATOM 0 HA LEU A 74 0.527 -13.415 5.781 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.369 -16.313 5.491 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.555 -15.031 5.342 1.00 0.00 H new ATOM 0 HG LEU A 74 1.949 -14.242 7.628 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.693 -15.739 9.124 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.312 -15.120 7.792 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.309 -16.787 7.738 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.086 -16.094 8.827 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.832 -17.147 7.416 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.880 -15.715 7.280 1.00 0.00 H new ATOM 1138 N GLU A 75 0.673 -15.066 2.900 1.00 0.00 N ATOM 1139 CA GLU A 75 1.113 -14.969 1.506 1.00 0.00 C ATOM 1140 C GLU A 75 0.174 -15.743 0.579 1.00 0.00 C ATOM 1141 O GLU A 75 -0.482 -16.695 1.000 1.00 0.00 O ATOM 1142 CB GLU A 75 2.544 -15.525 1.384 1.00 0.00 C ATOM 1143 CG GLU A 75 3.133 -15.468 -0.025 1.00 0.00 C ATOM 1144 CD GLU A 75 3.363 -14.047 -0.518 1.00 0.00 C ATOM 1145 OE1 GLU A 75 4.457 -13.499 -0.269 1.00 0.00 O ATOM 1146 OE2 GLU A 75 2.453 -13.472 -1.155 1.00 0.00 O ATOM 0 H GLU A 75 0.253 -15.962 3.146 1.00 0.00 H new ATOM 0 HA GLU A 75 1.096 -13.921 1.207 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.195 -14.968 2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.547 -16.561 1.723 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.079 -16.009 -0.039 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.462 -15.981 -0.714 1.00 0.00 H new ATOM 1153 N LEU A 76 0.123 -15.326 -0.683 1.00 0.00 N ATOM 1154 CA LEU A 76 -0.641 -16.026 -1.712 1.00 0.00 C ATOM 1155 C LEU A 76 0.285 -16.401 -2.871 1.00 0.00 C ATOM 1156 O LEU A 76 1.230 -15.671 -3.182 1.00 0.00 O ATOM 1157 CB LEU A 76 -1.799 -15.149 -2.215 1.00 0.00 C ATOM 1158 CG LEU A 76 -2.710 -15.801 -3.273 1.00 0.00 C ATOM 1159 CD1 LEU A 76 -3.406 -17.038 -2.708 1.00 0.00 C ATOM 1160 CD2 LEU A 76 -3.735 -14.801 -3.801 1.00 0.00 C ATOM 0 H LEU A 76 0.609 -14.495 -1.021 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.064 -16.934 -1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.411 -14.860 -1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.383 -14.232 -2.633 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.082 -16.116 -4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.043 -17.479 -3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.657 -17.766 -2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.015 -16.753 -1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.366 -15.286 -4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.354 -14.446 -2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.218 -13.957 -4.257 1.00 0.00 H new ATOM 1172 N ARG A 77 0.014 -17.535 -3.504 1.00 0.00 N ATOM 1173 CA ARG A 77 0.848 -18.040 -4.587 1.00 0.00 C ATOM 1174 C ARG A 77 -0.026 -18.608 -5.699 1.00 0.00 C ATOM 1175 O ARG A 77 -0.579 -19.701 -5.573 1.00 0.00 O ATOM 1176 CB ARG A 77 1.810 -19.113 -4.054 1.00 0.00 C ATOM 1177 CG ARG A 77 2.672 -19.771 -5.128 1.00 0.00 C ATOM 1178 CD ARG A 77 3.601 -20.822 -4.531 1.00 0.00 C ATOM 1179 NE ARG A 77 4.295 -21.598 -5.561 1.00 0.00 N ATOM 1180 CZ ARG A 77 5.016 -22.691 -5.310 1.00 0.00 C ATOM 1181 NH1 ARG A 77 5.196 -23.105 -4.060 1.00 0.00 N ATOM 1182 NH2 ARG A 77 5.575 -23.358 -6.310 1.00 0.00 N ATOM 0 H ARG A 77 -0.786 -18.128 -3.283 1.00 0.00 H new ATOM 0 HA ARG A 77 1.437 -17.219 -4.996 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.463 -18.661 -3.307 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.231 -19.884 -3.546 1.00 0.00 H new ATOM 0 HG2 ARG A 77 2.031 -20.234 -5.878 1.00 0.00 H new ATOM 0 HG3 ARG A 77 3.262 -19.010 -5.639 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.335 -20.333 -3.891 1.00 0.00 H new ATOM 0 HD3 ARG A 77 3.024 -21.496 -3.898 1.00 0.00 H new ATOM 0 HE ARG A 77 4.222 -21.283 -6.529 1.00 0.00 H new ATOM 0 HH11 ARG A 77 4.781 -22.586 -3.286 1.00 0.00 H new ATOM 0 HH12 ARG A 77 5.749 -23.942 -3.875 1.00 0.00 H new ATOM 0 HH21 ARG A 77 5.453 -23.035 -7.270 1.00 0.00 H new ATOM 0 HH22 ARG A 77 6.127 -24.194 -6.120 1.00 0.00 H new ATOM 1196 N VAL A 78 -0.168 -17.845 -6.772 1.00 0.00 N ATOM 1197 CA VAL A 78 -0.964 -18.260 -7.919 1.00 0.00 C ATOM 1198 C VAL A 78 -0.166 -19.234 -8.786 1.00 0.00 C ATOM 1199 O VAL A 78 0.960 -18.934 -9.187 1.00 0.00 O ATOM 1200 CB VAL A 78 -1.391 -17.036 -8.764 1.00 0.00 C ATOM 1201 CG1 VAL A 78 -2.259 -17.456 -9.950 1.00 0.00 C ATOM 1202 CG2 VAL A 78 -2.115 -16.010 -7.894 1.00 0.00 C ATOM 0 H VAL A 78 0.262 -16.926 -6.873 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.861 -18.757 -7.550 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.489 -16.572 -9.164 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.543 -16.574 -10.524 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.698 -18.139 -10.588 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.157 -17.955 -9.585 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.408 -15.156 -8.505 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.004 -16.466 -7.458 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.451 -15.675 -7.097 1.00 0.00 H new ATOM 1212 N LEU A 79 -0.743 -20.401 -9.059 1.00 0.00 N ATOM 1213 CA LEU A 79 -0.052 -21.439 -9.821 1.00 0.00 C ATOM 1214 C LEU A 79 -0.541 -21.471 -11.267 1.00 0.00 C ATOM 1215 O LEU A 79 0.258 -21.403 -12.205 1.00 0.00 O ATOM 1216 CB LEU A 79 -0.263 -22.807 -9.161 1.00 0.00 C ATOM 1217 CG LEU A 79 0.183 -22.899 -7.693 1.00 0.00 C ATOM 1218 CD1 LEU A 79 -0.072 -24.296 -7.141 1.00 0.00 C ATOM 1219 CD2 LEU A 79 1.656 -22.521 -7.547 1.00 0.00 C ATOM 0 H LEU A 79 -1.687 -20.652 -8.765 1.00 0.00 H new ATOM 0 HA LEU A 79 1.013 -21.207 -9.826 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.321 -23.062 -9.220 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.278 -23.558 -9.737 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.407 -22.189 -7.114 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.250 -24.341 -6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.137 -24.522 -7.201 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.487 -25.026 -7.726 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.948 -22.594 -6.499 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.267 -23.200 -8.142 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.806 -21.499 -7.895 1.00 0.00 H new ATOM 1231 N GLY A 80 -1.854 -21.571 -11.441 1.00 0.00 N ATOM 1232 CA GLY A 80 -2.435 -21.631 -12.773 1.00 0.00 C ATOM 1233 C GLY A 80 -3.868 -21.146 -12.782 1.00 0.00 C ATOM 1234 O GLY A 80 -4.522 -21.129 -11.741 1.00 0.00 O ATOM 0 H GLY A 80 -2.531 -21.612 -10.680 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.841 -21.024 -13.456 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.396 -22.656 -13.141 1.00 0.00 H new ATOM 1238 N SER A 81 -4.362 -20.765 -13.954 1.00 0.00 N ATOM 1239 CA SER A 81 -5.709 -20.219 -14.089 1.00 0.00 C ATOM 1240 C SER A 81 -6.250 -20.473 -15.496 1.00 0.00 C ATOM 1241 O SER A 81 -5.515 -20.367 -16.480 1.00 0.00 O ATOM 1242 CB SER A 81 -5.689 -18.716 -13.774 1.00 0.00 C ATOM 1243 OG SER A 81 -4.641 -18.058 -14.472 1.00 0.00 O ATOM 0 H SER A 81 -3.846 -20.825 -14.832 1.00 0.00 H new ATOM 0 HA SER A 81 -6.371 -20.718 -13.381 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.646 -18.272 -14.047 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.564 -18.568 -12.701 1.00 0.00 H new ATOM 0 HG SER A 81 -4.839 -17.100 -14.532 1.00 0.00 H new ATOM 1249 N SER A 82 -7.529 -20.832 -15.590 1.00 0.00 N ATOM 1250 CA SER A 82 -8.154 -21.115 -16.878 1.00 0.00 C ATOM 1251 C SER A 82 -9.643 -20.751 -16.861 1.00 0.00 C ATOM 1252 O SER A 82 -10.378 -21.140 -15.951 1.00 0.00 O ATOM 1253 CB SER A 82 -7.984 -22.600 -17.225 1.00 0.00 C ATOM 1254 OG SER A 82 -6.615 -22.982 -17.219 1.00 0.00 O ATOM 0 H SER A 82 -8.152 -20.933 -14.789 1.00 0.00 H new ATOM 0 HA SER A 82 -7.663 -20.505 -17.637 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.536 -23.208 -16.508 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.414 -22.797 -18.207 1.00 0.00 H new ATOM 0 HG SER A 82 -6.540 -23.933 -17.442 1.00 0.00 H new ATOM 1260 N GLU A 83 -10.073 -19.991 -17.866 1.00 0.00 N ATOM 1261 CA GLU A 83 -11.485 -19.670 -18.059 1.00 0.00 C ATOM 1262 C GLU A 83 -12.056 -20.558 -19.162 1.00 0.00 C ATOM 1263 O GLU A 83 -11.598 -20.507 -20.307 1.00 0.00 O ATOM 1264 CB GLU A 83 -11.648 -18.188 -18.433 1.00 0.00 C ATOM 1265 CG GLU A 83 -13.081 -17.784 -18.784 1.00 0.00 C ATOM 1266 CD GLU A 83 -13.186 -16.341 -19.256 1.00 0.00 C ATOM 1267 OE1 GLU A 83 -12.681 -16.040 -20.360 1.00 0.00 O ATOM 1268 OE2 GLU A 83 -13.758 -15.499 -18.525 1.00 0.00 O ATOM 0 H GLU A 83 -9.455 -19.582 -18.567 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.027 -19.851 -17.131 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.303 -17.575 -17.601 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.001 -17.966 -19.282 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.460 -18.445 -19.563 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.718 -17.923 -17.910 1.00 0.00 H new ATOM 1275 N LYS A 84 -13.035 -21.388 -18.817 1.00 0.00 N ATOM 1276 CA LYS A 84 -13.641 -22.301 -19.782 1.00 0.00 C ATOM 1277 C LYS A 84 -15.092 -21.892 -20.040 1.00 0.00 C ATOM 1278 O LYS A 84 -16.029 -22.531 -19.551 1.00 0.00 O ATOM 1279 CB LYS A 84 -13.572 -23.757 -19.278 1.00 0.00 C ATOM 1280 CG LYS A 84 -12.221 -24.156 -18.682 1.00 0.00 C ATOM 1281 CD LYS A 84 -11.072 -23.999 -19.676 1.00 0.00 C ATOM 1282 CE LYS A 84 -11.170 -24.980 -20.841 1.00 0.00 C ATOM 1283 NZ LYS A 84 -10.021 -24.838 -21.776 1.00 0.00 N ATOM 0 H LYS A 84 -13.426 -21.448 -17.877 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.083 -22.242 -20.717 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -14.346 -23.905 -18.525 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.802 -24.427 -20.107 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -12.021 -23.545 -17.802 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -12.268 -25.192 -18.347 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -11.067 -22.980 -20.063 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -10.125 -24.148 -19.158 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.203 -26.000 -20.457 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -12.102 -24.812 -21.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.121 -25.520 -22.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.004 -23.872 -22.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.134 -25.023 -21.266 1.00 0.00 H new ATOM 1297 N GLY A 85 -15.266 -20.798 -20.772 1.00 0.00 N ATOM 1298 CA GLY A 85 -16.596 -20.316 -21.100 1.00 0.00 C ATOM 1299 C GLY A 85 -17.310 -19.716 -19.902 1.00 0.00 C ATOM 1300 O GLY A 85 -16.886 -18.686 -19.373 1.00 0.00 O ATOM 0 H GLY A 85 -14.505 -20.232 -21.147 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.523 -19.566 -21.888 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.189 -21.139 -21.497 1.00 0.00 H new ATOM 1304 N SER A 86 -18.384 -20.368 -19.464 1.00 0.00 N ATOM 1305 CA SER A 86 -19.200 -19.873 -18.356 1.00 0.00 C ATOM 1306 C SER A 86 -18.773 -20.498 -17.025 1.00 0.00 C ATOM 1307 O SER A 86 -19.410 -20.285 -15.991 1.00 0.00 O ATOM 1308 CB SER A 86 -20.680 -20.159 -18.640 1.00 0.00 C ATOM 1309 OG SER A 86 -20.865 -21.491 -19.094 1.00 0.00 O ATOM 0 H SER A 86 -18.712 -21.248 -19.863 1.00 0.00 H new ATOM 0 HA SER A 86 -19.052 -18.796 -18.271 1.00 0.00 H new ATOM 0 HB2 SER A 86 -21.265 -19.995 -17.735 1.00 0.00 H new ATOM 0 HB3 SER A 86 -21.051 -19.461 -19.390 1.00 0.00 H new ATOM 0 HG SER A 86 -21.817 -21.649 -19.266 1.00 0.00 H new ATOM 1315 N ARG A 87 -17.689 -21.263 -17.057 1.00 0.00 N ATOM 1316 CA ARG A 87 -17.140 -21.886 -15.860 1.00 0.00 C ATOM 1317 C ARG A 87 -15.616 -21.867 -15.938 1.00 0.00 C ATOM 1318 O ARG A 87 -15.042 -22.068 -17.004 1.00 0.00 O ATOM 1319 CB ARG A 87 -17.693 -23.319 -15.725 1.00 0.00 C ATOM 1320 CG ARG A 87 -17.222 -24.094 -14.494 1.00 0.00 C ATOM 1321 CD ARG A 87 -15.881 -24.787 -14.719 1.00 0.00 C ATOM 1322 NE ARG A 87 -15.900 -25.645 -15.909 1.00 0.00 N ATOM 1323 CZ ARG A 87 -15.327 -26.848 -15.979 1.00 0.00 C ATOM 1324 NH1 ARG A 87 -14.727 -27.370 -14.914 1.00 0.00 N ATOM 1325 NH2 ARG A 87 -15.373 -27.537 -17.112 1.00 0.00 N ATOM 0 H ARG A 87 -17.168 -21.468 -17.909 1.00 0.00 H new ATOM 0 HA ARG A 87 -17.438 -21.332 -14.970 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -18.782 -23.269 -15.707 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -17.415 -23.882 -16.616 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -17.137 -23.411 -13.649 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -17.972 -24.839 -14.228 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -15.098 -24.036 -14.826 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -15.631 -25.386 -13.844 1.00 0.00 H new ATOM 0 HE ARG A 87 -16.383 -25.299 -16.738 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -14.703 -26.850 -14.037 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -14.291 -28.290 -14.974 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -15.846 -27.147 -17.927 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -14.936 -28.457 -17.168 1.00 0.00 H new ATOM 1339 N GLY A 88 -14.966 -21.609 -14.813 1.00 0.00 N ATOM 1340 CA GLY A 88 -13.520 -21.493 -14.793 1.00 0.00 C ATOM 1341 C GLY A 88 -12.913 -22.173 -13.590 1.00 0.00 C ATOM 1342 O GLY A 88 -13.632 -22.654 -12.711 1.00 0.00 O ATOM 0 H GLY A 88 -15.416 -21.477 -13.907 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -13.109 -21.931 -15.702 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -13.241 -20.439 -14.793 1.00 0.00 H new ATOM 1346 N THR A 89 -11.591 -22.217 -13.549 1.00 0.00 N ATOM 1347 CA THR A 89 -10.873 -22.886 -12.477 1.00 0.00 C ATOM 1348 C THR A 89 -9.496 -22.250 -12.284 1.00 0.00 C ATOM 1349 O THR A 89 -8.877 -21.794 -13.250 1.00 0.00 O ATOM 1350 CB THR A 89 -10.718 -24.395 -12.788 1.00 0.00 C ATOM 1351 OG1 THR A 89 -12.011 -24.989 -12.990 1.00 0.00 O ATOM 1352 CG2 THR A 89 -9.999 -25.124 -11.663 1.00 0.00 C ATOM 0 H THR A 89 -10.988 -21.792 -14.254 1.00 0.00 H new ATOM 0 HA THR A 89 -11.447 -22.775 -11.557 1.00 0.00 H new ATOM 0 HB THR A 89 -10.120 -24.488 -13.695 1.00 0.00 H new ATOM 0 HG1 THR A 89 -11.905 -25.943 -13.188 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.907 -26.181 -11.914 1.00 0.00 H new ATOM 0 HG22 THR A 89 -9.006 -24.696 -11.528 1.00 0.00 H new ATOM 0 HG23 THR A 89 -10.568 -25.019 -10.739 1.00 0.00 H new ATOM 1360 N VAL A 90 -9.032 -22.201 -11.036 1.00 0.00 N ATOM 1361 CA VAL A 90 -7.722 -21.640 -10.721 1.00 0.00 C ATOM 1362 C VAL A 90 -7.035 -22.447 -9.615 1.00 0.00 C ATOM 1363 O VAL A 90 -7.656 -22.813 -8.613 1.00 0.00 O ATOM 1364 CB VAL A 90 -7.828 -20.143 -10.314 1.00 0.00 C ATOM 1365 CG1 VAL A 90 -8.801 -19.953 -9.158 1.00 0.00 C ATOM 1366 CG2 VAL A 90 -6.456 -19.562 -9.966 1.00 0.00 C ATOM 0 H VAL A 90 -9.547 -22.545 -10.225 1.00 0.00 H new ATOM 0 HA VAL A 90 -7.114 -21.701 -11.624 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.215 -19.599 -11.175 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.853 -18.896 -8.896 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.790 -20.303 -9.454 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.457 -20.524 -8.295 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.565 -18.514 -9.686 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.026 -20.118 -9.133 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.798 -19.640 -10.831 1.00 0.00 H new ATOM 1376 N GLU A 91 -5.759 -22.744 -9.836 1.00 0.00 N ATOM 1377 CA GLU A 91 -4.929 -23.462 -8.874 1.00 0.00 C ATOM 1378 C GLU A 91 -4.052 -22.458 -8.130 1.00 0.00 C ATOM 1379 O GLU A 91 -3.331 -21.678 -8.764 1.00 0.00 O ATOM 1380 CB GLU A 91 -4.038 -24.472 -9.613 1.00 0.00 C ATOM 1381 CG GLU A 91 -3.215 -25.381 -8.699 1.00 0.00 C ATOM 1382 CD GLU A 91 -3.989 -26.580 -8.194 1.00 0.00 C ATOM 1383 OE1 GLU A 91 -4.433 -27.393 -9.030 1.00 0.00 O ATOM 1384 OE2 GLU A 91 -4.111 -26.735 -6.966 1.00 0.00 O ATOM 0 H GLU A 91 -5.268 -22.492 -10.694 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.564 -23.995 -8.166 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.667 -25.093 -10.251 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.359 -23.927 -10.268 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.334 -25.727 -9.240 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.859 -24.802 -7.847 1.00 0.00 H new ATOM 1391 N PHE A 92 -4.105 -22.464 -6.803 1.00 0.00 N ATOM 1392 CA PHE A 92 -3.328 -21.514 -6.011 1.00 0.00 C ATOM 1393 C PHE A 92 -2.879 -22.125 -4.687 1.00 0.00 C ATOM 1394 O PHE A 92 -3.269 -23.242 -4.335 1.00 0.00 O ATOM 1395 CB PHE A 92 -4.137 -20.229 -5.758 1.00 0.00 C ATOM 1396 CG PHE A 92 -5.364 -20.425 -4.898 1.00 0.00 C ATOM 1397 CD1 PHE A 92 -6.555 -20.872 -5.451 1.00 0.00 C ATOM 1398 CD2 PHE A 92 -5.324 -20.157 -3.535 1.00 0.00 C ATOM 1399 CE1 PHE A 92 -7.677 -21.048 -4.664 1.00 0.00 C ATOM 1400 CE2 PHE A 92 -6.444 -20.332 -2.746 1.00 0.00 C ATOM 1401 CZ PHE A 92 -7.622 -20.778 -3.311 1.00 0.00 C ATOM 0 H PHE A 92 -4.673 -23.110 -6.255 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.436 -21.261 -6.584 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.488 -19.493 -5.283 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.443 -19.812 -6.717 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.606 -21.085 -6.509 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.406 -19.807 -3.087 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -8.598 -21.397 -5.108 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.398 -20.120 -1.688 1.00 0.00 H new ATOM 0 HZ PHE A 92 -8.499 -20.915 -2.696 1.00 0.00 H new ATOM 1411 N ILE A 93 -2.038 -21.381 -3.976 1.00 0.00 N ATOM 1412 CA ILE A 93 -1.560 -21.762 -2.652 1.00 0.00 C ATOM 1413 C ILE A 93 -1.656 -20.563 -1.711 1.00 0.00 C ATOM 1414 O ILE A 93 -0.918 -19.586 -1.861 1.00 0.00 O ATOM 1415 CB ILE A 93 -0.088 -22.262 -2.686 1.00 0.00 C ATOM 1416 CG1 ILE A 93 0.031 -23.555 -3.506 1.00 0.00 C ATOM 1417 CG2 ILE A 93 0.445 -22.480 -1.267 1.00 0.00 C ATOM 1418 CD1 ILE A 93 1.458 -24.025 -3.713 1.00 0.00 C ATOM 0 H ILE A 93 -1.666 -20.490 -4.305 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.187 -22.580 -2.298 1.00 0.00 H new ATOM 0 HB ILE A 93 0.517 -21.493 -3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.531 -24.343 -3.006 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.434 -23.400 -4.479 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.476 -22.830 -1.315 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.406 -21.541 -0.715 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -0.167 -23.225 -0.759 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.457 -24.943 -4.301 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.021 -23.256 -4.242 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.923 -24.214 -2.745 1.00 0.00 H new ATOM 1430 N ALA A 94 -2.591 -20.625 -0.774 1.00 0.00 N ATOM 1431 CA ALA A 94 -2.730 -19.595 0.245 1.00 0.00 C ATOM 1432 C ALA A 94 -1.956 -20.000 1.496 1.00 0.00 C ATOM 1433 O ALA A 94 -2.302 -20.981 2.157 1.00 0.00 O ATOM 1434 CB ALA A 94 -4.203 -19.368 0.574 1.00 0.00 C ATOM 0 H ALA A 94 -3.269 -21.383 -0.699 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.319 -18.660 -0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -4.290 -18.595 1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.732 -19.052 -0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.640 -20.295 0.945 1.00 0.00 H new ATOM 1440 N ARG A 95 -0.899 -19.260 1.808 1.00 0.00 N ATOM 1441 CA ARG A 95 -0.084 -19.539 2.984 1.00 0.00 C ATOM 1442 C ARG A 95 -0.556 -18.689 4.155 1.00 0.00 C ATOM 1443 O ARG A 95 -0.511 -17.457 4.102 1.00 0.00 O ATOM 1444 CB ARG A 95 1.401 -19.255 2.710 1.00 0.00 C ATOM 1445 CG ARG A 95 2.307 -19.567 3.902 1.00 0.00 C ATOM 1446 CD ARG A 95 3.749 -19.141 3.656 1.00 0.00 C ATOM 1447 NE ARG A 95 4.618 -19.479 4.787 1.00 0.00 N ATOM 1448 CZ ARG A 95 5.565 -20.421 4.755 1.00 0.00 C ATOM 1449 NH1 ARG A 95 5.766 -21.138 3.656 1.00 0.00 N ATOM 1450 NH2 ARG A 95 6.312 -20.645 5.826 1.00 0.00 N ATOM 0 H ARG A 95 -0.585 -18.459 1.260 1.00 0.00 H new ATOM 0 HA ARG A 95 -0.194 -20.596 3.228 1.00 0.00 H new ATOM 0 HB2 ARG A 95 1.724 -19.845 1.853 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.519 -18.206 2.438 1.00 0.00 H new ATOM 0 HG2 ARG A 95 1.926 -19.059 4.788 1.00 0.00 H new ATOM 0 HG3 ARG A 95 2.276 -20.637 4.109 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.122 -19.626 2.754 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.785 -18.066 3.479 1.00 0.00 H new ATOM 0 HE ARG A 95 4.491 -18.961 5.656 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.195 -20.972 2.827 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.491 -21.855 3.640 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.164 -20.098 6.674 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.035 -21.364 5.802 1.00 0.00 H new ATOM 1464 N PHE A 96 -1.010 -19.352 5.206 1.00 0.00 N ATOM 1465 CA PHE A 96 -1.492 -18.674 6.398 1.00 0.00 C ATOM 1466 C PHE A 96 -0.875 -19.281 7.651 1.00 0.00 C ATOM 1467 O PHE A 96 0.002 -20.138 7.571 1.00 0.00 O ATOM 1468 CB PHE A 96 -3.032 -18.709 6.464 1.00 0.00 C ATOM 1469 CG PHE A 96 -3.658 -20.059 6.189 1.00 0.00 C ATOM 1470 CD1 PHE A 96 -3.308 -21.179 6.934 1.00 0.00 C ATOM 1471 CD2 PHE A 96 -4.608 -20.203 5.187 1.00 0.00 C ATOM 1472 CE1 PHE A 96 -3.888 -22.406 6.682 1.00 0.00 C ATOM 1473 CE2 PHE A 96 -5.191 -21.428 4.935 1.00 0.00 C ATOM 1474 CZ PHE A 96 -4.831 -22.532 5.683 1.00 0.00 C ATOM 0 H PHE A 96 -1.055 -20.370 5.257 1.00 0.00 H new ATOM 0 HA PHE A 96 -1.184 -17.630 6.344 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -3.345 -18.376 7.454 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -3.427 -17.990 5.746 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -2.573 -21.088 7.720 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.895 -19.345 4.597 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -3.603 -23.268 7.267 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -5.929 -21.524 4.152 1.00 0.00 H new ATOM 0 HZ PHE A 96 -5.287 -23.491 5.486 1.00 0.00 H new ATOM 1484 N ARG A 97 -1.323 -18.812 8.801 1.00 0.00 N ATOM 1485 CA ARG A 97 -0.839 -19.286 10.084 1.00 0.00 C ATOM 1486 C ARG A 97 -2.025 -19.782 10.905 1.00 0.00 C ATOM 1487 O ARG A 97 -2.953 -19.018 11.183 1.00 0.00 O ATOM 1488 CB ARG A 97 -0.103 -18.149 10.802 1.00 0.00 C ATOM 1489 CG ARG A 97 0.564 -18.559 12.106 1.00 0.00 C ATOM 1490 CD ARG A 97 1.390 -17.418 12.688 1.00 0.00 C ATOM 1491 NE ARG A 97 0.616 -16.177 12.788 1.00 0.00 N ATOM 1492 CZ ARG A 97 0.381 -15.529 13.926 1.00 0.00 C ATOM 1493 NH1 ARG A 97 0.869 -15.990 15.075 1.00 0.00 N ATOM 1494 NH2 ARG A 97 -0.335 -14.414 13.907 1.00 0.00 N ATOM 0 H ARG A 97 -2.037 -18.087 8.871 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.139 -20.110 9.948 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.655 -17.743 10.132 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.811 -17.346 11.007 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.196 -18.864 12.825 1.00 0.00 H new ATOM 0 HG3 ARG A 97 1.205 -19.423 11.933 1.00 0.00 H new ATOM 0 HD2 ARG A 97 1.753 -17.700 13.676 1.00 0.00 H new ATOM 0 HD3 ARG A 97 2.267 -17.249 12.063 1.00 0.00 H new ATOM 0 HE ARG A 97 0.232 -15.784 11.928 1.00 0.00 H new ATOM 0 HH11 ARG A 97 1.426 -16.844 15.086 1.00 0.00 H new ATOM 0 HH12 ARG A 97 0.686 -15.489 15.944 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -0.702 -14.058 13.024 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -0.519 -13.912 14.775 1.00 0.00 H new ATOM 1508 N ARG A 98 -2.001 -21.062 11.268 1.00 0.00 N ATOM 1509 CA ARG A 98 -3.136 -21.692 11.939 1.00 0.00 C ATOM 1510 C ARG A 98 -3.231 -21.238 13.394 1.00 0.00 C ATOM 1511 O ARG A 98 -2.209 -21.007 14.047 1.00 0.00 O ATOM 1512 CB ARG A 98 -3.018 -23.223 11.866 1.00 0.00 C ATOM 1513 CG ARG A 98 -4.223 -23.960 12.449 1.00 0.00 C ATOM 1514 CD ARG A 98 -4.103 -25.473 12.294 1.00 0.00 C ATOM 1515 NE ARG A 98 -2.981 -26.029 13.057 1.00 0.00 N ATOM 1516 CZ ARG A 98 -2.682 -27.330 13.103 1.00 0.00 C ATOM 1517 NH1 ARG A 98 -3.409 -28.212 12.425 1.00 0.00 N ATOM 1518 NH2 ARG A 98 -1.658 -27.749 13.832 1.00 0.00 N ATOM 0 H ARG A 98 -1.208 -21.684 11.109 1.00 0.00 H new ATOM 0 HA ARG A 98 -4.047 -21.384 11.426 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -2.891 -23.520 10.825 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -2.120 -23.535 12.399 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.322 -23.711 13.506 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.131 -23.617 11.954 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -5.030 -25.943 12.623 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -3.978 -25.718 11.239 1.00 0.00 H new ATOM 0 HE ARG A 98 -2.393 -25.383 13.584 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -4.201 -27.897 11.865 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -3.175 -29.204 12.465 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -1.098 -27.078 14.358 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -1.430 -28.742 13.867 1.00 0.00 H new ATOM 1553 N PRO A 102 2.176 -22.527 14.441 1.00 0.00 N ATOM 1554 CA PRO A 102 2.900 -22.698 13.175 1.00 0.00 C ATOM 1555 C PRO A 102 2.089 -22.282 11.947 1.00 0.00 C ATOM 1556 O PRO A 102 0.854 -22.205 11.983 1.00 0.00 O ATOM 1557 CB PRO A 102 3.195 -24.203 13.137 1.00 0.00 C ATOM 1558 CG PRO A 102 2.101 -24.816 13.941 1.00 0.00 C ATOM 1559 CD PRO A 102 1.796 -23.825 15.035 1.00 0.00 C ATOM 0 HA PRO A 102 3.787 -22.066 13.138 1.00 0.00 H new ATOM 0 HB2 PRO A 102 3.197 -24.582 12.115 1.00 0.00 H new ATOM 0 HB3 PRO A 102 4.174 -24.427 13.562 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.221 -25.004 13.326 1.00 0.00 H new ATOM 0 HG3 PRO A 102 2.410 -25.775 14.356 1.00 0.00 H new ATOM 0 HD2 PRO A 102 0.742 -23.846 15.313 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.368 -24.036 15.938 1.00 0.00 H new ATOM 1567 N GLU A 103 2.806 -22.018 10.860 1.00 0.00 N ATOM 1568 CA GLU A 103 2.193 -21.694 9.578 1.00 0.00 C ATOM 1569 C GLU A 103 1.623 -22.953 8.929 1.00 0.00 C ATOM 1570 O GLU A 103 1.931 -24.076 9.345 1.00 0.00 O ATOM 1571 CB GLU A 103 3.229 -21.060 8.641 1.00 0.00 C ATOM 1572 CG GLU A 103 3.842 -19.766 9.164 1.00 0.00 C ATOM 1573 CD GLU A 103 5.061 -19.352 8.357 1.00 0.00 C ATOM 1574 OE1 GLU A 103 6.151 -19.909 8.598 1.00 0.00 O ATOM 1575 OE2 GLU A 103 4.939 -18.498 7.457 1.00 0.00 O ATOM 0 H GLU A 103 3.826 -22.023 10.843 1.00 0.00 H new ATOM 0 HA GLU A 103 1.384 -20.985 9.753 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.028 -21.780 8.462 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.757 -20.861 7.679 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.097 -18.971 9.130 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.124 -19.894 10.209 1.00 0.00 H new ATOM 1582 N GLN A 104 0.805 -22.754 7.907 1.00 0.00 N ATOM 1583 CA GLN A 104 0.213 -23.844 7.149 1.00 0.00 C ATOM 1584 C GLN A 104 -0.190 -23.346 5.767 1.00 0.00 C ATOM 1585 O GLN A 104 -0.588 -22.189 5.605 1.00 0.00 O ATOM 1586 CB GLN A 104 -1.004 -24.419 7.885 1.00 0.00 C ATOM 1587 CG GLN A 104 -1.722 -25.530 7.122 1.00 0.00 C ATOM 1588 CD GLN A 104 -2.826 -26.193 7.927 1.00 0.00 C ATOM 1589 OE1 GLN A 104 -2.625 -26.323 9.231 1.00 0.00 O flip ATOM 1590 NE2 GLN A 104 -3.842 -26.616 7.374 1.00 0.00 N flip ATOM 0 H GLN A 104 0.532 -21.827 7.579 1.00 0.00 H new ATOM 0 HA GLN A 104 0.950 -24.640 7.043 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -0.682 -24.806 8.852 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -1.710 -23.613 8.083 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -2.146 -25.117 6.207 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -0.995 -26.285 6.824 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -3.962 -26.498 6.368 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.563 -27.085 7.922 1.00 0.00 H new ATOM 1599 N SER A 105 -0.076 -24.213 4.776 1.00 0.00 N ATOM 1600 CA SER A 105 -0.409 -23.863 3.408 1.00 0.00 C ATOM 1601 C SER A 105 -1.773 -24.425 3.018 1.00 0.00 C ATOM 1602 O SER A 105 -2.203 -25.470 3.520 1.00 0.00 O ATOM 1603 CB SER A 105 0.682 -24.381 2.465 1.00 0.00 C ATOM 1604 OG SER A 105 0.944 -25.756 2.696 1.00 0.00 O ATOM 0 H SER A 105 0.248 -25.173 4.896 1.00 0.00 H new ATOM 0 HA SER A 105 -0.464 -22.777 3.326 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.372 -24.235 1.430 1.00 0.00 H new ATOM 0 HB3 SER A 105 1.596 -23.804 2.609 1.00 0.00 H new ATOM 0 HG SER A 105 1.642 -26.064 2.081 1.00 0.00 H new ATOM 1610 N HIS A 106 -2.459 -23.706 2.141 1.00 0.00 N ATOM 1611 CA HIS A 106 -3.735 -24.143 1.598 1.00 0.00 C ATOM 1612 C HIS A 106 -3.602 -24.216 0.083 1.00 0.00 C ATOM 1613 O HIS A 106 -3.564 -23.189 -0.591 1.00 0.00 O ATOM 1614 CB HIS A 106 -4.842 -23.156 2.006 1.00 0.00 C ATOM 1615 CG HIS A 106 -6.217 -23.753 2.069 1.00 0.00 C ATOM 1616 ND1 HIS A 106 -7.221 -23.439 1.184 1.00 0.00 N ATOM 1617 CD2 HIS A 106 -6.760 -24.625 2.952 1.00 0.00 C ATOM 1618 CE1 HIS A 106 -8.321 -24.087 1.523 1.00 0.00 C ATOM 1619 NE2 HIS A 106 -8.070 -24.817 2.592 1.00 0.00 N ATOM 0 H HIS A 106 -2.145 -22.803 1.786 1.00 0.00 H new ATOM 0 HA HIS A 106 -4.004 -25.124 1.989 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -4.596 -22.738 2.982 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -4.852 -22.328 1.298 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -7.131 -22.805 0.390 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -6.254 -25.085 3.788 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -9.269 -24.029 1.009 1.00 0.00 H new ATOM 1628 N HIS A 107 -3.487 -25.429 -0.438 1.00 0.00 N ATOM 1629 CA HIS A 107 -3.243 -25.644 -1.861 1.00 0.00 C ATOM 1630 C HIS A 107 -4.357 -26.491 -2.449 1.00 0.00 C ATOM 1631 O HIS A 107 -4.518 -27.660 -2.082 1.00 0.00 O ATOM 1632 CB HIS A 107 -1.881 -26.332 -2.064 1.00 0.00 C ATOM 1633 CG HIS A 107 -1.517 -26.607 -3.499 1.00 0.00 C ATOM 1634 ND1 HIS A 107 -0.316 -27.172 -3.864 1.00 0.00 N ATOM 1635 CD2 HIS A 107 -2.188 -26.389 -4.657 1.00 0.00 C ATOM 1636 CE1 HIS A 107 -0.263 -27.279 -5.177 1.00 0.00 C ATOM 1637 NE2 HIS A 107 -1.388 -26.814 -5.684 1.00 0.00 N ATOM 0 H HIS A 107 -3.559 -26.288 0.107 1.00 0.00 H new ATOM 0 HA HIS A 107 -3.225 -24.682 -2.372 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -1.105 -25.707 -1.621 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -1.882 -27.275 -1.517 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -3.174 -25.959 -4.752 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.564 -27.681 -5.743 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -1.623 -26.777 -6.676 1.00 0.00 H new ATOM 1646 N GLU A 108 -5.128 -25.901 -3.355 1.00 0.00 N ATOM 1647 CA GLU A 108 -6.219 -26.612 -3.991 1.00 0.00 C ATOM 1648 C GLU A 108 -6.649 -25.956 -5.292 1.00 0.00 C ATOM 1649 O GLU A 108 -6.380 -24.777 -5.545 1.00 0.00 O ATOM 1650 CB GLU A 108 -7.425 -26.737 -3.042 1.00 0.00 C ATOM 1651 CG GLU A 108 -7.970 -25.410 -2.511 1.00 0.00 C ATOM 1652 CD GLU A 108 -7.069 -24.768 -1.467 1.00 0.00 C ATOM 1653 OE1 GLU A 108 -6.595 -25.491 -0.563 1.00 0.00 O ATOM 1654 OE2 GLU A 108 -6.847 -23.539 -1.530 1.00 0.00 O ATOM 0 H GLU A 108 -5.015 -24.935 -3.662 1.00 0.00 H new ATOM 0 HA GLU A 108 -5.847 -27.609 -4.227 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -8.227 -27.259 -3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -7.138 -27.360 -2.195 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -8.100 -24.719 -3.344 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -8.956 -25.577 -2.078 1.00 0.00 H new ATOM 1661 N ARG A 109 -7.320 -26.757 -6.110 1.00 0.00 N ATOM 1662 CA ARG A 109 -7.856 -26.313 -7.382 1.00 0.00 C ATOM 1663 C ARG A 109 -9.304 -25.881 -7.172 1.00 0.00 C ATOM 1664 O ARG A 109 -10.171 -26.716 -6.893 1.00 0.00 O ATOM 1665 CB ARG A 109 -7.775 -27.461 -8.403 1.00 0.00 C ATOM 1666 CG ARG A 109 -7.856 -27.016 -9.858 1.00 0.00 C ATOM 1667 CD ARG A 109 -7.901 -28.207 -10.814 1.00 0.00 C ATOM 1668 NE ARG A 109 -9.190 -28.907 -10.761 1.00 0.00 N ATOM 1669 CZ ARG A 109 -9.391 -30.092 -10.179 1.00 0.00 C ATOM 1670 NH1 ARG A 109 -8.376 -30.765 -9.644 1.00 0.00 N ATOM 1671 NH2 ARG A 109 -10.610 -30.615 -10.158 1.00 0.00 N ATOM 0 H ARG A 109 -7.507 -27.738 -5.904 1.00 0.00 H new ATOM 0 HA ARG A 109 -7.280 -25.471 -7.766 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -6.840 -28.000 -8.252 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -8.584 -28.165 -8.205 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -8.745 -26.401 -10.001 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -6.995 -26.392 -10.096 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -7.718 -27.862 -11.832 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -7.100 -28.903 -10.564 1.00 0.00 H new ATOM 0 HE ARG A 109 -9.991 -28.455 -11.201 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -7.433 -30.377 -9.676 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -8.540 -31.669 -9.202 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -11.388 -30.112 -10.585 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -10.769 -31.520 -9.715 1.00 0.00 H new ATOM 1685 N SER A 110 -9.563 -24.584 -7.279 1.00 0.00 N ATOM 1686 CA SER A 110 -10.882 -24.036 -6.986 1.00 0.00 C ATOM 1687 C SER A 110 -11.694 -23.818 -8.265 1.00 0.00 C ATOM 1688 O SER A 110 -11.183 -23.304 -9.265 1.00 0.00 O ATOM 1689 CB SER A 110 -10.732 -22.725 -6.209 1.00 0.00 C ATOM 1690 OG SER A 110 -9.815 -21.855 -6.850 1.00 0.00 O ATOM 0 H SER A 110 -8.874 -23.889 -7.568 1.00 0.00 H new ATOM 0 HA SER A 110 -11.427 -24.755 -6.375 1.00 0.00 H new ATOM 0 HB2 SER A 110 -11.703 -22.236 -6.123 1.00 0.00 H new ATOM 0 HB3 SER A 110 -10.390 -22.936 -5.196 1.00 0.00 H new ATOM 0 HG SER A 110 -9.714 -22.120 -7.788 1.00 0.00 H new ATOM 1696 N GLN A 111 -12.957 -24.242 -8.228 1.00 0.00 N ATOM 1697 CA GLN A 111 -13.881 -24.068 -9.346 1.00 0.00 C ATOM 1698 C GLN A 111 -14.760 -22.840 -9.121 1.00 0.00 C ATOM 1699 O GLN A 111 -15.278 -22.621 -8.019 1.00 0.00 O ATOM 1700 CB GLN A 111 -14.778 -25.306 -9.526 1.00 0.00 C ATOM 1701 CG GLN A 111 -14.058 -26.562 -10.011 1.00 0.00 C ATOM 1702 CD GLN A 111 -13.096 -27.140 -8.987 1.00 0.00 C ATOM 1703 OE1 GLN A 111 -13.478 -27.942 -8.136 1.00 0.00 O ATOM 1704 NE2 GLN A 111 -11.837 -26.754 -9.073 1.00 0.00 N ATOM 0 H GLN A 111 -13.367 -24.715 -7.423 1.00 0.00 H new ATOM 0 HA GLN A 111 -13.285 -23.933 -10.248 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -15.261 -25.527 -8.574 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -15.569 -25.062 -10.235 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -14.798 -27.319 -10.271 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -13.509 -26.328 -10.923 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -11.556 -26.087 -9.792 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -11.145 -27.123 -8.421 1.00 0.00 H new ATOM 1713 N PHE A 112 -14.937 -22.057 -10.177 1.00 0.00 N ATOM 1714 CA PHE A 112 -15.743 -20.841 -10.126 1.00 0.00 C ATOM 1715 C PHE A 112 -16.735 -20.822 -11.284 1.00 0.00 C ATOM 1716 O PHE A 112 -16.415 -21.250 -12.396 1.00 0.00 O ATOM 1717 CB PHE A 112 -14.848 -19.594 -10.182 1.00 0.00 C ATOM 1718 CG PHE A 112 -13.986 -19.418 -8.958 1.00 0.00 C ATOM 1719 CD1 PHE A 112 -14.452 -18.704 -7.864 1.00 0.00 C ATOM 1720 CD2 PHE A 112 -12.719 -19.975 -8.896 1.00 0.00 C ATOM 1721 CE1 PHE A 112 -13.671 -18.549 -6.735 1.00 0.00 C ATOM 1722 CE2 PHE A 112 -11.937 -19.823 -7.769 1.00 0.00 C ATOM 1723 CZ PHE A 112 -12.413 -19.110 -6.687 1.00 0.00 C ATOM 0 H PHE A 112 -14.527 -22.245 -11.092 1.00 0.00 H new ATOM 0 HA PHE A 112 -16.292 -20.831 -9.184 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -14.208 -19.655 -11.062 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -15.475 -18.711 -10.305 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -15.438 -18.264 -7.895 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -12.339 -20.534 -9.738 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -14.046 -17.989 -5.891 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -10.951 -20.263 -7.734 1.00 0.00 H new ATOM 0 HZ PHE A 112 -11.801 -18.992 -5.805 1.00 0.00 H new ATOM 1733 N ARG A 113 -17.934 -20.331 -11.013 1.00 0.00 N ATOM 1734 CA ARG A 113 -18.990 -20.238 -12.012 1.00 0.00 C ATOM 1735 C ARG A 113 -19.170 -18.790 -12.454 1.00 0.00 C ATOM 1736 O ARG A 113 -19.061 -17.868 -11.644 1.00 0.00 O ATOM 1737 CB ARG A 113 -20.290 -20.787 -11.425 1.00 0.00 C ATOM 1738 CG ARG A 113 -21.512 -20.635 -12.321 1.00 0.00 C ATOM 1739 CD ARG A 113 -22.717 -21.318 -11.694 1.00 0.00 C ATOM 1740 NE ARG A 113 -23.950 -21.102 -12.444 1.00 0.00 N ATOM 1741 CZ ARG A 113 -25.161 -21.323 -11.937 1.00 0.00 C ATOM 1742 NH1 ARG A 113 -25.291 -21.686 -10.663 1.00 0.00 N ATOM 1743 NH2 ARG A 113 -26.237 -21.153 -12.691 1.00 0.00 N ATOM 0 H ARG A 113 -18.204 -19.985 -10.092 1.00 0.00 H new ATOM 0 HA ARG A 113 -18.717 -20.829 -12.886 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -20.152 -21.844 -11.200 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -20.486 -20.282 -10.479 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -21.726 -19.578 -12.478 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -21.309 -21.068 -13.300 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -22.525 -22.389 -11.623 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -22.848 -20.949 -10.677 1.00 0.00 H new ATOM 0 HE ARG A 113 -23.881 -20.765 -13.404 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -24.463 -21.794 -10.077 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -26.218 -21.856 -10.273 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -26.138 -20.853 -13.661 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -27.164 -21.323 -12.302 1.00 0.00 H new ATOM 1757 N LYS A 114 -19.439 -18.597 -13.737 1.00 0.00 N ATOM 1758 CA LYS A 114 -19.601 -17.264 -14.298 1.00 0.00 C ATOM 1759 C LYS A 114 -21.080 -16.972 -14.535 1.00 0.00 C ATOM 1760 O LYS A 114 -21.696 -17.528 -15.448 1.00 0.00 O ATOM 1761 CB LYS A 114 -18.814 -17.153 -15.606 1.00 0.00 C ATOM 1762 CG LYS A 114 -18.512 -15.720 -16.021 1.00 0.00 C ATOM 1763 CD LYS A 114 -17.648 -15.668 -17.275 1.00 0.00 C ATOM 1764 CE LYS A 114 -17.044 -14.286 -17.481 1.00 0.00 C ATOM 1765 NZ LYS A 114 -16.254 -14.213 -18.739 1.00 0.00 N ATOM 0 H LYS A 114 -19.550 -19.353 -14.413 1.00 0.00 H new ATOM 0 HA LYS A 114 -19.213 -16.528 -13.593 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -17.875 -17.697 -15.502 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -19.378 -17.641 -16.401 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -19.446 -15.188 -16.200 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -18.003 -15.205 -15.206 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -16.850 -16.407 -17.199 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -18.249 -15.936 -18.144 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -17.840 -13.541 -17.507 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -16.404 -14.039 -16.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -15.986 -13.225 -18.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -15.395 -14.792 -18.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -16.827 -14.570 -19.530 1.00 0.00 H new ATOM 1779 N ALA A 115 -21.650 -16.118 -13.694 1.00 0.00 N ATOM 1780 CA ALA A 115 -23.048 -15.723 -13.810 1.00 0.00 C ATOM 1781 C ALA A 115 -23.149 -14.252 -14.200 1.00 0.00 C ATOM 1782 O ALA A 115 -22.661 -13.378 -13.482 1.00 0.00 O ATOM 1783 CB ALA A 115 -23.785 -15.984 -12.499 1.00 0.00 C ATOM 0 H ALA A 115 -21.158 -15.681 -12.915 1.00 0.00 H new ATOM 0 HA ALA A 115 -23.517 -16.321 -14.591 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -24.828 -15.684 -12.602 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -23.735 -17.046 -12.259 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -23.319 -15.409 -11.699 1.00 0.00 H new ATOM 1789 N ARG A 116 -23.764 -13.992 -15.355 1.00 0.00 N ATOM 1790 CA ARG A 116 -23.942 -12.628 -15.866 1.00 0.00 C ATOM 1791 C ARG A 116 -22.594 -11.928 -16.057 1.00 0.00 C ATOM 1792 O ARG A 116 -22.513 -10.697 -16.075 1.00 0.00 O ATOM 1793 CB ARG A 116 -24.862 -11.800 -14.942 1.00 0.00 C ATOM 1794 CG ARG A 116 -26.345 -12.161 -15.046 1.00 0.00 C ATOM 1795 CD ARG A 116 -26.625 -13.591 -14.600 1.00 0.00 C ATOM 1796 NE ARG A 116 -28.028 -13.963 -14.784 1.00 0.00 N ATOM 1797 CZ ARG A 116 -28.608 -15.001 -14.182 1.00 0.00 C ATOM 1798 NH1 ARG A 116 -27.932 -15.722 -13.294 1.00 0.00 N ATOM 1799 NH2 ARG A 116 -29.870 -15.304 -14.453 1.00 0.00 N ATOM 0 H ARG A 116 -24.151 -14.715 -15.961 1.00 0.00 H new ATOM 0 HA ARG A 116 -24.424 -12.704 -16.841 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -24.538 -11.935 -13.910 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -24.739 -10.743 -15.179 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -26.928 -11.472 -14.435 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -26.676 -12.033 -16.076 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -25.992 -14.276 -15.164 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -26.357 -13.701 -13.549 1.00 0.00 H new ATOM 0 HE ARG A 116 -28.597 -13.394 -15.411 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -26.966 -15.482 -13.071 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -28.379 -16.516 -12.835 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -30.397 -14.743 -15.122 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -30.314 -16.098 -13.992 1.00 0.00 H new ATOM 1813 N GLY A 117 -21.543 -12.722 -16.239 1.00 0.00 N ATOM 1814 CA GLY A 117 -20.209 -12.179 -16.430 1.00 0.00 C ATOM 1815 C GLY A 117 -19.422 -12.066 -15.136 1.00 0.00 C ATOM 1816 O GLY A 117 -18.208 -11.862 -15.163 1.00 0.00 O ATOM 0 H GLY A 117 -21.592 -13.741 -16.258 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -19.661 -12.813 -17.127 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -20.286 -11.193 -16.889 1.00 0.00 H new ATOM 1820 N ARG A 118 -20.101 -12.211 -13.998 1.00 0.00 N ATOM 1821 CA ARG A 118 -19.433 -12.153 -12.699 1.00 0.00 C ATOM 1822 C ARG A 118 -19.053 -13.563 -12.262 1.00 0.00 C ATOM 1823 O ARG A 118 -19.756 -14.523 -12.574 1.00 0.00 O ATOM 1824 CB ARG A 118 -20.321 -11.500 -11.619 1.00 0.00 C ATOM 1825 CG ARG A 118 -20.819 -10.090 -11.952 1.00 0.00 C ATOM 1826 CD ARG A 118 -22.010 -10.108 -12.905 1.00 0.00 C ATOM 1827 NE ARG A 118 -22.529 -8.762 -13.168 1.00 0.00 N ATOM 1828 CZ ARG A 118 -23.811 -8.413 -13.035 1.00 0.00 C ATOM 1829 NH1 ARG A 118 -24.701 -9.282 -12.566 1.00 0.00 N ATOM 1830 NH2 ARG A 118 -24.196 -7.183 -13.351 1.00 0.00 N ATOM 0 H ARG A 118 -21.108 -12.369 -13.950 1.00 0.00 H new ATOM 0 HA ARG A 118 -18.541 -11.536 -12.811 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -21.185 -12.142 -11.444 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -19.760 -11.459 -10.685 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -21.101 -9.579 -11.031 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -20.007 -9.516 -12.399 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -21.713 -10.571 -13.846 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -22.803 -10.725 -12.482 1.00 0.00 H new ATOM 0 HE ARG A 118 -21.869 -8.047 -13.472 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -24.406 -10.223 -12.305 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -25.678 -9.008 -12.467 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -23.513 -6.507 -13.694 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -25.175 -6.913 -13.251 1.00 0.00 H new ATOM 1844 N TRP A 119 -17.941 -13.686 -11.548 1.00 0.00 N ATOM 1845 CA TRP A 119 -17.467 -14.984 -11.077 1.00 0.00 C ATOM 1846 C TRP A 119 -17.851 -15.214 -9.621 1.00 0.00 C ATOM 1847 O TRP A 119 -17.713 -14.321 -8.781 1.00 0.00 O ATOM 1848 CB TRP A 119 -15.949 -15.091 -11.250 1.00 0.00 C ATOM 1849 CG TRP A 119 -15.531 -15.199 -12.685 1.00 0.00 C ATOM 1850 CD1 TRP A 119 -15.185 -14.183 -13.525 1.00 0.00 C ATOM 1851 CD2 TRP A 119 -15.437 -16.401 -13.452 1.00 0.00 C ATOM 1852 NE1 TRP A 119 -14.856 -14.684 -14.761 1.00 0.00 N ATOM 1853 CE2 TRP A 119 -15.008 -16.044 -14.741 1.00 0.00 C ATOM 1854 CE3 TRP A 119 -15.667 -17.746 -13.168 1.00 0.00 C ATOM 1855 CZ2 TRP A 119 -14.805 -16.984 -15.745 1.00 0.00 C ATOM 1856 CZ3 TRP A 119 -15.470 -18.678 -14.165 1.00 0.00 C ATOM 1857 CH2 TRP A 119 -15.041 -18.294 -15.441 1.00 0.00 C ATOM 0 H TRP A 119 -17.348 -12.900 -11.281 1.00 0.00 H new ATOM 0 HA TRP A 119 -17.946 -15.757 -11.678 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -15.475 -14.217 -10.804 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -15.587 -15.963 -10.705 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -15.171 -13.137 -13.258 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -14.549 -14.133 -15.562 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -15.993 -18.053 -12.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -14.473 -16.689 -16.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -15.650 -19.723 -13.958 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -14.894 -19.049 -16.200 1.00 0.00 H new ATOM 1868 N TYR A 120 -18.340 -16.417 -9.342 1.00 0.00 N ATOM 1869 CA TYR A 120 -18.734 -16.820 -7.998 1.00 0.00 C ATOM 1870 C TYR A 120 -18.101 -18.166 -7.657 1.00 0.00 C ATOM 1871 O TYR A 120 -17.878 -18.995 -8.542 1.00 0.00 O ATOM 1872 CB TYR A 120 -20.264 -16.926 -7.897 1.00 0.00 C ATOM 1873 CG TYR A 120 -20.996 -15.621 -8.155 1.00 0.00 C ATOM 1874 CD1 TYR A 120 -21.396 -15.264 -9.440 1.00 0.00 C ATOM 1875 CD2 TYR A 120 -21.287 -14.745 -7.114 1.00 0.00 C ATOM 1876 CE1 TYR A 120 -22.060 -14.076 -9.678 1.00 0.00 C ATOM 1877 CE2 TYR A 120 -21.951 -13.556 -7.345 1.00 0.00 C ATOM 1878 CZ TYR A 120 -22.335 -13.226 -8.628 1.00 0.00 C ATOM 1879 OH TYR A 120 -22.993 -12.038 -8.863 1.00 0.00 O ATOM 0 H TYR A 120 -18.475 -17.143 -10.045 1.00 0.00 H new ATOM 0 HA TYR A 120 -18.387 -16.066 -7.291 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -20.613 -17.673 -8.610 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -20.527 -17.287 -6.903 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -21.183 -15.927 -10.265 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -20.988 -14.999 -6.108 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -22.362 -13.815 -10.681 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -22.168 -12.888 -6.525 1.00 0.00 H new ATOM 0 HH TYR A 120 -23.110 -11.556 -8.018 1.00 0.00 H new ATOM 1889 N PHE A 121 -17.800 -18.374 -6.382 1.00 0.00 N ATOM 1890 CA PHE A 121 -17.222 -19.633 -5.922 1.00 0.00 C ATOM 1891 C PHE A 121 -18.262 -20.749 -5.946 1.00 0.00 C ATOM 1892 O PHE A 121 -19.311 -20.636 -5.314 1.00 0.00 O ATOM 1893 CB PHE A 121 -16.653 -19.474 -4.505 1.00 0.00 C ATOM 1894 CG PHE A 121 -16.317 -20.787 -3.835 1.00 0.00 C ATOM 1895 CD1 PHE A 121 -15.075 -21.379 -4.014 1.00 0.00 C ATOM 1896 CD2 PHE A 121 -17.252 -21.434 -3.034 1.00 0.00 C ATOM 1897 CE1 PHE A 121 -14.775 -22.586 -3.410 1.00 0.00 C ATOM 1898 CE2 PHE A 121 -16.957 -22.638 -2.429 1.00 0.00 C ATOM 1899 CZ PHE A 121 -15.716 -23.216 -2.617 1.00 0.00 C ATOM 0 H PHE A 121 -17.947 -17.685 -5.644 1.00 0.00 H new ATOM 0 HA PHE A 121 -16.412 -19.902 -6.600 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -15.754 -18.859 -4.551 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -17.376 -18.937 -3.891 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -14.335 -20.892 -4.632 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -18.224 -20.987 -2.883 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -13.805 -23.037 -3.558 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -17.694 -23.128 -1.810 1.00 0.00 H new ATOM 0 HZ PHE A 121 -15.482 -24.159 -2.145 1.00 0.00 H new ATOM 1909 N SER A 122 -17.958 -21.829 -6.655 1.00 0.00 N ATOM 1910 CA SER A 122 -18.854 -22.976 -6.726 1.00 0.00 C ATOM 1911 C SER A 122 -18.374 -24.094 -5.798 1.00 0.00 C ATOM 1912 O SER A 122 -19.100 -24.523 -4.898 1.00 0.00 O ATOM 1913 CB SER A 122 -18.946 -23.479 -8.170 1.00 0.00 C ATOM 1914 OG SER A 122 -19.356 -22.439 -9.042 1.00 0.00 O ATOM 0 H SER A 122 -17.096 -21.934 -7.190 1.00 0.00 H new ATOM 0 HA SER A 122 -19.846 -22.666 -6.398 1.00 0.00 H new ATOM 0 HB2 SER A 122 -17.977 -23.865 -8.488 1.00 0.00 H new ATOM 0 HB3 SER A 122 -19.653 -24.307 -8.227 1.00 0.00 H new ATOM 0 HG SER A 122 -20.334 -22.433 -9.107 1.00 0.00 H new ATOM 1920 N GLU A 123 -17.138 -24.545 -6.004 1.00 0.00 N ATOM 1921 CA GLU A 123 -16.593 -25.676 -5.253 1.00 0.00 C ATOM 1922 C GLU A 123 -15.078 -25.755 -5.419 1.00 0.00 C ATOM 1923 O GLU A 123 -14.474 -24.892 -6.055 1.00 0.00 O ATOM 1924 CB GLU A 123 -17.255 -26.980 -5.722 1.00 0.00 C ATOM 1925 CG GLU A 123 -17.218 -27.184 -7.234 1.00 0.00 C ATOM 1926 CD GLU A 123 -17.990 -28.416 -7.676 1.00 0.00 C ATOM 1927 OE1 GLU A 123 -19.240 -28.374 -7.677 1.00 0.00 O ATOM 1928 OE2 GLU A 123 -17.354 -29.435 -8.017 1.00 0.00 O ATOM 0 H GLU A 123 -16.494 -24.144 -6.686 1.00 0.00 H new ATOM 0 HA GLU A 123 -16.809 -25.530 -4.195 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -16.758 -27.822 -5.240 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -18.293 -26.989 -5.389 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -17.632 -26.304 -7.726 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -16.182 -27.273 -7.560 1.00 0.00 H new ATOM 1935 N GLY A 124 -14.471 -26.782 -4.835 1.00 0.00 N ATOM 1936 CA GLY A 124 -13.036 -26.976 -4.952 1.00 0.00 C ATOM 1937 C GLY A 124 -12.597 -28.304 -4.372 1.00 0.00 C ATOM 1938 O GLY A 124 -13.386 -28.988 -3.713 1.00 0.00 O ATOM 0 H GLY A 124 -14.951 -27.489 -4.278 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -12.747 -26.925 -6.002 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -12.517 -26.166 -4.439 1.00 0.00 H new ATOM 1942 N GLU A 125 -11.344 -28.676 -4.613 1.00 0.00 N ATOM 1943 CA GLU A 125 -10.792 -29.927 -4.097 1.00 0.00 C ATOM 1944 C GLU A 125 -9.323 -29.746 -3.729 1.00 0.00 C ATOM 1945 O GLU A 125 -8.577 -29.084 -4.456 1.00 0.00 O ATOM 1946 CB GLU A 125 -10.934 -31.052 -5.133 1.00 0.00 C ATOM 1947 CG GLU A 125 -10.226 -30.766 -6.454 1.00 0.00 C ATOM 1948 CD GLU A 125 -10.208 -31.962 -7.389 1.00 0.00 C ATOM 1949 OE1 GLU A 125 -11.228 -32.211 -8.066 1.00 0.00 O ATOM 1950 OE2 GLU A 125 -9.165 -32.646 -7.471 1.00 0.00 O ATOM 0 H GLU A 125 -10.687 -28.126 -5.166 1.00 0.00 H new ATOM 0 HA GLU A 125 -11.352 -30.202 -3.203 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -10.536 -31.975 -4.711 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -11.993 -31.222 -5.328 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.720 -29.931 -6.951 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -9.201 -30.455 -6.251 1.00 0.00 H new ATOM 1957 N ALA A 126 -8.920 -30.328 -2.600 1.00 0.00 N ATOM 1958 CA ALA A 126 -7.534 -30.267 -2.144 1.00 0.00 C ATOM 1959 C ALA A 126 -6.602 -30.875 -3.191 1.00 0.00 C ATOM 1960 O ALA A 126 -6.775 -32.031 -3.595 1.00 0.00 O ATOM 1961 CB ALA A 126 -7.383 -30.984 -0.807 1.00 0.00 C ATOM 0 H ALA A 126 -9.540 -30.851 -1.981 1.00 0.00 H new ATOM 0 HA ALA A 126 -7.258 -29.222 -2.005 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -6.345 -30.930 -0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -8.022 -30.507 -0.064 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -7.674 -32.028 -0.919 1.00 0.00 H new