USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 951 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 97 TYR OH : rot 85:sc= 0.133 USER MOD Set 1.2: A 99 HIS : no HD1:sc= 1.1 K(o=2.3,f=-17!) USER MOD Set 1.3: A 112 SER OG : rot 78:sc= 1.09 USER MOD Set 2.1: A 93 ASN : amide:sc= 0.437 K(o=0.39,f=-10!) USER MOD Set 2.2: A 98 HIS : no HD1:sc= -0.0501 K(o=0.39,f=-7.2!) USER MOD Set 3.1: A 67 LYS NZ :NH3+ -179:sc= 1.82 (180deg=1.68) USER MOD Set 3.2: A 69 CYS SG : rot -130:sc=-0.00635 USER MOD Set 4.1: A 50 SER OG : rot -110:sc= 1.13 USER MOD Set 4.2: A 60 THR OG1 : rot 17:sc= 1.86 USER MOD Set 5.1: A 41 LYS NZ :NH3+ 170:sc= 1.63 (180deg=0.201) USER MOD Set 5.2: A 48 THR OG1 : rot -120:sc= 1.06 USER MOD Set 6.1: A 46 ASN : amide:sc= 2.15 K(o=3.3,f=-0.29) USER MOD Set 6.2: A 64 THR OG1 : rot -49:sc= 1.15 USER MOD Set 7.1: A 38 SER OG : rot 180:sc= 0.945 USER MOD Set 7.2: A 51 GLN : amide:sc= 1.72 K(o=2.7,f=-4.1!) USER MOD Set 8.1: A 14 TYR OH : rot 30:sc= 0 USER MOD Set 8.2: A 18 MET CE :methyl -175:sc= 0 (180deg=-0.0119) USER MOD Set 9.1: A 12 LYS NZ :NH3+ 177:sc= 1.42 (180deg=0.118) USER MOD Set 9.2: A 13 ASN : amide:sc= 0.906 K(o=2.3,f=-13!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0347 USER MOD Single : A 5 LYS NZ :NH3+ -148:sc= 0.697 (180deg=-3.44!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 55:sc= 1.22 USER MOD Single : A 19 LYS NZ :NH3+ 179:sc= 0.781 (180deg=0.757) USER MOD Single : A 30 LYS NZ :NH3+ 162:sc= -0.003 (180deg=-0.209) USER MOD Single : A 33 ASN : amide:sc= -0.0145 K(o=-0.015,f=-0.83) USER MOD Single : A 35 LYS NZ :NH3+ 145:sc= 1.16 (180deg=-3.82!) USER MOD Single : A 42 GLN : amide:sc= 1.15 K(o=1.1,f=-0.8) USER MOD Single : A 45 GLN : amide:sc= 0.718 K(o=0.72,f=-0.62) USER MOD Single : A 52 GLN : amide:sc= 1.16 K(o=1.2,f=-2) USER MOD Single : A 53 TYR OH : rot 153:sc= 1.22 USER MOD Single : A 57 HIS : no HE2:sc= -0.594 X(o=-0.59,f=-0.21) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0198 USER MOD Single : A 61 ASN : amide:sc= 1.19 K(o=1.2,f=-0.12) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -44:sc= 0.995 USER MOD Single : A 77 LYS NZ :NH3+ -158:sc= 1.26 (180deg=0.984) USER MOD Single : A 78 LYS NZ :NH3+ -162:sc= 1.82 (180deg=1.64) USER MOD Single : A 80 LYS NZ :NH3+ -169:sc= 1.42 (180deg=0.408!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0.908 K(o=0.91,f=-6.3!) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -153:sc= 0.26! (180deg=-1.52!) USER MOD Single : A 94 SER OG : rot 180:sc= -0.0533 USER MOD Single : A 96 ASN : amide:sc= -0.0259 K(o=-0.026,f=-1.2) USER MOD Single : A 100 THR OG1 : rot 139:sc= 1.24 USER MOD Single : A 107 LYS NZ :NH3+ -179:sc= 0.244! (180deg=0.203!) USER MOD Single : A 113 THR OG1 : rot 10:sc= 0.548 USER MOD Single : A 118 SER OG : rot 116:sc= 1.24 USER MOD Single : A 119 TYR OH : rot 24:sc= 1.26 USER MOD Single : A 123 SER OG : rot 180:sc= -0.0316 USER MOD Single : A 124 LYS NZ :NH3+ 149:sc= 1.5 (180deg=-0.842!) USER MOD Single : A 125 LYS NZ :NH3+ -174:sc= 3.02 (180deg=2.82) USER MOD ----------------------------------------------------------------- ATOM 12 N PHE A 2 11.498 -8.972 -4.489 1.00 -0.73 N ATOM 13 CA PHE A 2 10.203 -8.629 -3.917 1.00 0.36 C ATOM 14 C PHE A 2 10.215 -8.854 -2.386 1.00 0.57 C ATOM 15 O PHE A 2 9.466 -9.626 -1.793 1.00 -0.57 O ATOM 16 CB PHE A 2 9.053 -9.423 -4.547 1.00 0.14 C ATOM 17 CG PHE A 2 8.674 -8.953 -5.934 1.00 -0.14 C ATOM 18 CD1 PHE A 2 7.885 -7.805 -6.102 1.00 -0.15 C ATOM 19 CD2 PHE A 2 9.073 -9.675 -7.065 1.00 -0.15 C ATOM 20 CE1 PHE A 2 7.499 -7.394 -7.378 1.00 -0.15 C ATOM 21 CE2 PHE A 2 8.686 -9.259 -8.341 1.00 -0.15 C ATOM 22 CZ PHE A 2 7.901 -8.118 -8.496 1.00 -0.15 C ATOM 0 HA PHE A 2 10.031 -7.575 -4.135 1.00 0.36 H new ATOM 0 HB2 PHE A 2 9.334 -10.475 -4.594 1.00 0.14 H new ATOM 0 HB3 PHE A 2 8.179 -9.355 -3.899 1.00 0.14 H new ATOM 0 HD1 PHE A 2 7.575 -7.236 -5.238 1.00 -0.15 H new ATOM 0 HD2 PHE A 2 9.683 -10.559 -6.950 1.00 -0.15 H new ATOM 0 HE1 PHE A 2 6.887 -6.512 -7.498 1.00 -0.15 H new ATOM 0 HE2 PHE A 2 8.996 -9.822 -9.209 1.00 -0.15 H new ATOM 0 HZ PHE A 2 7.605 -7.796 -9.483 1.00 -0.15 H new ATOM 32 N THR A 3 11.079 -8.030 -1.691 1.00 -0.73 N ATOM 33 CA THR A 3 10.882 -7.817 -0.258 1.00 0.36 C ATOM 34 C THR A 3 11.433 -6.425 0.130 1.00 0.57 C ATOM 35 O THR A 3 12.044 -5.703 -0.665 1.00 -0.57 O ATOM 36 CB THR A 3 11.390 -8.983 0.617 1.00 0.28 C ATOM 37 OG1 THR A 3 10.930 -8.854 1.964 1.00 -0.68 O ATOM 38 CG2 THR A 3 12.897 -9.106 0.636 1.00 0.00 C ATOM 0 H THR A 3 11.873 -7.537 -2.100 1.00 -0.73 H new ATOM 0 HA THR A 3 9.813 -7.816 -0.046 1.00 0.36 H new ATOM 0 HB THR A 3 10.982 -9.884 0.159 1.00 0.28 H new ATOM 0 HG1 THR A 3 11.264 -9.605 2.497 1.00 -0.68 H new ATOM 0 HG21 THR A 3 13.186 -9.945 1.269 1.00 0.00 H new ATOM 0 HG22 THR A 3 13.261 -9.274 -0.377 1.00 0.00 H new ATOM 0 HG23 THR A 3 13.332 -8.187 1.030 1.00 0.00 H new ATOM 46 N GLY A 4 11.132 -6.027 1.411 1.00 -0.73 N ATOM 47 CA GLY A 4 11.226 -4.649 1.847 1.00 0.36 C ATOM 48 C GLY A 4 12.656 -4.124 2.016 1.00 0.57 C ATOM 49 O GLY A 4 13.664 -4.750 1.674 1.00 -0.57 O ATOM 0 H GLY A 4 10.823 -6.670 2.140 1.00 -0.73 H new ATOM 0 HA2 GLY A 4 10.705 -4.018 1.126 1.00 0.36 H new ATOM 0 HA3 GLY A 4 10.702 -4.547 2.797 1.00 0.36 H new ATOM 53 N LYS A 5 12.807 -2.845 2.484 1.00 -0.73 N ATOM 54 CA LYS A 5 11.838 -1.766 2.256 1.00 0.36 C ATOM 55 C LYS A 5 12.000 -1.396 0.760 1.00 0.57 C ATOM 56 O LYS A 5 12.917 -1.801 0.038 1.00 -0.57 O ATOM 57 CB LYS A 5 12.174 -0.567 3.152 1.00 0.00 C ATOM 58 CG LYS A 5 11.268 -0.523 4.379 1.00 0.00 C ATOM 59 CD LYS A 5 11.906 0.291 5.503 1.00 0.00 C ATOM 60 CE LYS A 5 10.925 0.778 6.562 1.00 0.50 C ATOM 61 NZ LYS A 5 10.215 -0.319 7.212 1.00 -0.85 N ATOM 0 H LYS A 5 13.616 -2.551 3.031 1.00 -0.73 H new ATOM 0 HA LYS A 5 10.816 -2.063 2.491 1.00 0.36 H new ATOM 0 HB2 LYS A 5 13.216 -0.627 3.468 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.066 0.357 2.584 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.306 -0.086 4.110 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.071 -1.537 4.726 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.671 -0.317 5.986 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.411 1.154 5.069 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.464 1.354 7.314 1.00 0.50 H new ATOM 0 HE3 LYS A 5 10.203 1.452 6.101 1.00 0.50 H new ATOM 0 HZ1 LYS A 5 9.260 -0.005 7.479 1.00 -0.85 H new ATOM 0 HZ2 LYS A 5 10.144 -1.123 6.556 1.00 -0.85 H new ATOM 0 HZ3 LYS A 5 10.734 -0.612 8.064 1.00 -0.85 H new ATOM 75 N TYR A 6 11.005 -0.597 0.280 1.00 -0.73 N ATOM 76 CA TYR A 6 11.188 0.213 -0.919 1.00 0.36 C ATOM 77 C TYR A 6 10.771 1.633 -0.517 1.00 0.57 C ATOM 78 O TYR A 6 10.068 1.869 0.467 1.00 -0.57 O ATOM 79 CB TYR A 6 10.374 -0.295 -2.114 1.00 0.14 C ATOM 80 CG TYR A 6 11.037 -1.456 -2.817 1.00 -0.14 C ATOM 81 CD1 TYR A 6 12.018 -1.206 -3.784 1.00 -0.15 C ATOM 82 CD2 TYR A 6 10.678 -2.781 -2.540 1.00 -0.15 C ATOM 83 CE1 TYR A 6 12.651 -2.257 -4.442 1.00 -0.15 C ATOM 84 CE2 TYR A 6 11.297 -3.836 -3.216 1.00 -0.15 C ATOM 85 CZ TYR A 6 12.293 -3.564 -4.147 1.00 0.08 C ATOM 86 OH TYR A 6 12.972 -4.557 -4.786 1.00 -0.53 O ATOM 0 H TYR A 6 10.085 -0.510 0.712 1.00 -0.73 H new ATOM 0 HA TYR A 6 12.223 0.169 -1.258 1.00 0.36 H new ATOM 0 HB2 TYR A 6 9.385 -0.599 -1.772 1.00 0.14 H new ATOM 0 HB3 TYR A 6 10.230 0.520 -2.823 1.00 0.14 H new ATOM 0 HD1 TYR A 6 12.287 -0.187 -4.022 1.00 -0.15 H new ATOM 0 HD2 TYR A 6 9.919 -2.989 -1.800 1.00 -0.15 H new ATOM 0 HE1 TYR A 6 13.416 -2.056 -5.177 1.00 -0.15 H new ATOM 0 HE2 TYR A 6 11.004 -4.856 -3.016 1.00 -0.15 H new ATOM 0 HH TYR A 6 12.630 -5.428 -4.494 1.00 -0.53 H new ATOM 96 N GLU A 7 11.241 2.619 -1.336 1.00 -0.73 N ATOM 97 CA GLU A 7 11.060 4.031 -1.005 1.00 0.36 C ATOM 98 C GLU A 7 10.854 4.724 -2.351 1.00 0.57 C ATOM 99 O GLU A 7 11.407 4.330 -3.380 1.00 -0.57 O ATOM 100 CB GLU A 7 12.299 4.522 -0.252 1.00 0.00 C ATOM 101 CG GLU A 7 11.961 5.604 0.758 1.00 -0.11 C ATOM 102 CD GLU A 7 11.947 6.934 0.071 1.00 0.91 C ATOM 103 OE1 GLU A 7 13.050 7.523 -0.112 1.00 -0.90 O ATOM 104 OE2 GLU A 7 10.828 7.364 -0.337 1.00 -0.90 O ATOM 0 H GLU A 7 11.737 2.448 -2.211 1.00 -0.73 H new ATOM 0 HA GLU A 7 10.212 4.235 -0.351 1.00 0.36 H new ATOM 0 HB2 GLU A 7 12.768 3.682 0.260 1.00 0.00 H new ATOM 0 HB3 GLU A 7 13.027 4.907 -0.965 1.00 0.00 H new ATOM 0 HG2 GLU A 7 10.989 5.405 1.210 1.00 -0.11 H new ATOM 0 HG3 GLU A 7 12.694 5.606 1.565 1.00 -0.11 H new ATOM 111 N ILE A 8 9.969 5.769 -2.326 1.00 -0.73 N ATOM 112 CA ILE A 8 9.511 6.366 -3.571 1.00 0.36 C ATOM 113 C ILE A 8 10.621 7.266 -4.188 1.00 0.57 C ATOM 114 O ILE A 8 11.249 8.124 -3.568 1.00 -0.57 O ATOM 115 CB ILE A 8 8.115 7.029 -3.420 1.00 0.00 C ATOM 116 CG1 ILE A 8 7.016 6.170 -4.097 1.00 0.00 C ATOM 117 CG2 ILE A 8 8.045 8.436 -4.014 1.00 0.00 C ATOM 118 CD1 ILE A 8 6.733 4.854 -3.387 1.00 0.00 C ATOM 0 H ILE A 8 9.585 6.186 -1.478 1.00 -0.73 H new ATOM 0 HA ILE A 8 9.341 5.580 -4.307 1.00 0.36 H new ATOM 0 HB ILE A 8 7.947 7.100 -2.345 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.094 6.750 -4.146 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.315 5.960 -5.124 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.043 8.840 -3.874 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.769 9.079 -3.513 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.274 8.393 -5.079 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.953 4.312 -3.922 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.641 4.252 -3.362 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.402 5.054 -2.368 1.00 0.00 H new ATOM 130 N GLU A 9 10.842 7.000 -5.525 1.00 -0.73 N ATOM 131 CA GLU A 9 11.729 7.794 -6.377 1.00 0.36 C ATOM 132 C GLU A 9 10.871 8.925 -6.997 1.00 0.57 C ATOM 133 O GLU A 9 11.297 10.073 -7.118 1.00 -0.57 O ATOM 134 CB GLU A 9 12.358 6.865 -7.422 1.00 0.00 C ATOM 135 CG GLU A 9 13.537 7.469 -8.173 1.00 -0.11 C ATOM 136 CD GLU A 9 13.954 6.446 -9.200 1.00 0.91 C ATOM 137 OE1 GLU A 9 13.367 6.449 -10.323 1.00 -0.90 O ATOM 138 OE2 GLU A 9 14.884 5.632 -8.915 1.00 -0.90 O ATOM 0 H GLU A 9 10.398 6.224 -6.015 1.00 -0.73 H new ATOM 0 HA GLU A 9 12.552 8.253 -5.828 1.00 0.36 H new ATOM 0 HB2 GLU A 9 12.688 5.952 -6.927 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.592 6.578 -8.143 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.254 8.407 -8.651 1.00 -0.11 H new ATOM 0 HG3 GLU A 9 14.358 7.693 -7.492 1.00 -0.11 H new ATOM 145 N SER A 10 9.632 8.553 -7.477 1.00 -0.73 N ATOM 146 CA SER A 10 8.609 9.514 -7.909 1.00 0.36 C ATOM 147 C SER A 10 7.285 8.786 -8.234 1.00 0.57 C ATOM 148 O SER A 10 7.251 7.615 -8.614 1.00 -0.57 O ATOM 149 CB SER A 10 9.031 10.335 -9.140 1.00 0.28 C ATOM 150 OG SER A 10 9.772 11.495 -8.764 1.00 -0.68 O ATOM 0 H SER A 10 9.340 7.580 -7.565 1.00 -0.73 H new ATOM 0 HA SER A 10 8.476 10.203 -7.075 1.00 0.36 H new ATOM 0 HB2 SER A 10 9.635 9.715 -9.803 1.00 0.28 H new ATOM 0 HB3 SER A 10 8.145 10.633 -9.701 1.00 0.28 H new ATOM 0 HG SER A 10 10.537 11.230 -8.211 1.00 -0.68 H new ATOM 156 N GLU A 11 6.165 9.575 -8.108 1.00 -0.73 N ATOM 157 CA GLU A 11 4.826 9.200 -8.573 1.00 0.36 C ATOM 158 C GLU A 11 4.413 10.331 -9.530 1.00 0.57 C ATOM 159 O GLU A 11 4.440 11.506 -9.158 1.00 -0.57 O ATOM 160 CB GLU A 11 3.821 9.165 -7.419 1.00 0.00 C ATOM 161 CG GLU A 11 4.111 8.051 -6.421 1.00 -0.11 C ATOM 162 CD GLU A 11 2.930 7.583 -5.585 1.00 0.91 C ATOM 163 OE1 GLU A 11 1.797 8.022 -5.912 1.00 -0.90 O ATOM 164 OE2 GLU A 11 3.189 6.689 -4.723 1.00 -0.90 O ATOM 0 H GLU A 11 6.192 10.497 -7.672 1.00 -0.73 H new ATOM 0 HA GLU A 11 4.838 8.211 -9.031 1.00 0.36 H new ATOM 0 HB2 GLU A 11 3.835 10.124 -6.901 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.816 9.035 -7.821 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.507 7.195 -6.967 1.00 -0.11 H new ATOM 0 HG3 GLU A 11 4.897 8.390 -5.746 1.00 -0.11 H new ATOM 171 N LYS A 12 4.088 9.971 -10.825 1.00 -0.73 N ATOM 172 CA LYS A 12 4.000 11.022 -11.847 1.00 0.36 C ATOM 173 C LYS A 12 2.562 11.420 -12.243 1.00 0.57 C ATOM 174 O LYS A 12 2.343 12.302 -13.072 1.00 -0.57 O ATOM 175 CB LYS A 12 4.905 10.722 -13.059 1.00 0.00 C ATOM 176 CG LYS A 12 4.271 9.906 -14.200 1.00 0.00 C ATOM 177 CD LYS A 12 4.060 10.767 -15.459 1.00 0.00 C ATOM 178 CE LYS A 12 3.541 10.012 -16.679 1.00 0.50 C ATOM 179 NZ LYS A 12 2.189 9.513 -16.461 1.00 -0.85 N ATOM 0 H LYS A 12 3.899 9.022 -11.146 1.00 -0.73 H new ATOM 0 HA LYS A 12 4.392 11.920 -11.370 1.00 0.36 H new ATOM 0 HB2 LYS A 12 5.253 11.670 -13.469 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.785 10.186 -12.704 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.911 9.057 -14.441 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.314 9.500 -13.871 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.359 11.567 -15.220 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.007 11.240 -15.719 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.552 10.670 -17.548 1.00 0.50 H new ATOM 0 HE3 LYS A 12 4.206 9.178 -16.903 1.00 0.50 H new ATOM 0 HZ1 LYS A 12 1.846 9.049 -17.326 1.00 -0.85 H new ATOM 0 HZ2 LYS A 12 2.194 8.827 -15.679 1.00 -0.85 H new ATOM 0 HZ3 LYS A 12 1.561 10.306 -16.222 1.00 -0.85 H new ATOM 193 N ASN A 13 1.542 10.716 -11.628 1.00 -0.73 N ATOM 194 CA ASN A 13 0.170 10.831 -12.155 1.00 0.36 C ATOM 195 C ASN A 13 -0.896 10.652 -11.050 1.00 0.57 C ATOM 196 O ASN A 13 -2.082 10.420 -11.285 1.00 -0.57 O ATOM 197 CB ASN A 13 -0.062 9.817 -13.271 1.00 0.06 C ATOM 198 CG ASN A 13 -0.510 10.492 -14.539 1.00 0.57 C ATOM 199 OD1 ASN A 13 0.274 10.907 -15.389 1.00 -0.57 O ATOM 200 ND2 ASN A 13 -1.855 10.624 -14.684 1.00 -0.80 N ATOM 0 H ASN A 13 1.653 10.105 -10.819 1.00 -0.73 H new ATOM 0 HA ASN A 13 0.065 11.839 -12.555 1.00 0.36 H new ATOM 0 HB2 ASN A 13 0.857 9.262 -13.457 1.00 0.06 H new ATOM 0 HB3 ASN A 13 -0.814 9.093 -12.957 1.00 0.06 H new ATOM 0 HD21 ASN A 13 -2.236 11.077 -15.515 1.00 -0.80 H new ATOM 0 HD22 ASN A 13 -2.483 10.270 -13.962 1.00 -0.80 H new ATOM 207 N TYR A 14 -0.449 10.943 -9.777 1.00 -0.73 N ATOM 208 CA TYR A 14 -1.266 10.609 -8.595 1.00 0.36 C ATOM 209 C TYR A 14 -2.552 11.461 -8.593 1.00 0.57 C ATOM 210 O TYR A 14 -3.646 11.020 -8.238 1.00 -0.57 O ATOM 211 CB TYR A 14 -0.433 10.851 -7.327 1.00 0.14 C ATOM 212 CG TYR A 14 -1.173 10.820 -6.017 1.00 -0.14 C ATOM 213 CD1 TYR A 14 -1.761 9.631 -5.569 1.00 -0.15 C ATOM 214 CD2 TYR A 14 -1.242 11.959 -5.202 1.00 -0.15 C ATOM 215 CE1 TYR A 14 -2.396 9.576 -4.328 1.00 -0.15 C ATOM 216 CE2 TYR A 14 -1.884 11.907 -3.964 1.00 -0.15 C ATOM 217 CZ TYR A 14 -2.458 10.717 -3.538 1.00 0.08 C ATOM 218 OH TYR A 14 -3.076 10.690 -2.324 1.00 -0.53 O ATOM 0 H TYR A 14 0.443 11.392 -9.568 1.00 -0.73 H new ATOM 0 HA TYR A 14 -1.560 9.560 -8.623 1.00 0.36 H new ATOM 0 HB2 TYR A 14 0.356 10.100 -7.290 1.00 0.14 H new ATOM 0 HB3 TYR A 14 0.054 11.822 -7.420 1.00 0.14 H new ATOM 0 HD1 TYR A 14 -1.723 8.748 -6.190 1.00 -0.15 H new ATOM 0 HD2 TYR A 14 -0.795 12.884 -5.535 1.00 -0.15 H new ATOM 0 HE1 TYR A 14 -2.837 8.652 -3.984 1.00 -0.15 H new ATOM 0 HE2 TYR A 14 -1.934 12.788 -3.341 1.00 -0.15 H new ATOM 0 HH TYR A 14 -3.000 9.792 -1.938 1.00 -0.53 H new ATOM 228 N ASP A 15 -2.387 12.781 -8.968 1.00 -0.73 N ATOM 229 CA ASP A 15 -3.453 13.759 -8.729 1.00 0.36 C ATOM 230 C ASP A 15 -4.651 13.397 -9.640 1.00 0.57 C ATOM 231 O ASP A 15 -5.815 13.376 -9.245 1.00 -0.57 O ATOM 232 CB ASP A 15 -2.906 15.139 -9.034 1.00 -0.11 C ATOM 233 CG ASP A 15 -3.893 16.116 -8.461 1.00 0.91 C ATOM 234 OD1 ASP A 15 -4.921 16.401 -9.127 1.00 -0.90 O ATOM 235 OD2 ASP A 15 -3.610 16.575 -7.316 1.00 -0.90 O ATOM 0 H ASP A 15 -1.551 13.155 -9.417 1.00 -0.73 H new ATOM 0 HA ASP A 15 -3.794 13.748 -7.694 1.00 0.36 H new ATOM 0 HB2 ASP A 15 -1.920 15.274 -8.588 1.00 -0.11 H new ATOM 0 HB3 ASP A 15 -2.793 15.284 -10.108 1.00 -0.11 H new ATOM 240 N GLU A 16 -4.281 13.111 -10.938 1.00 -0.73 N ATOM 241 CA GLU A 16 -5.250 12.818 -11.994 1.00 0.36 C ATOM 242 C GLU A 16 -6.008 11.513 -11.665 1.00 0.57 C ATOM 243 O GLU A 16 -7.190 11.329 -11.957 1.00 -0.57 O ATOM 244 CB GLU A 16 -4.512 12.659 -13.337 1.00 0.00 C ATOM 245 CG GLU A 16 -4.666 13.862 -14.268 1.00 -0.11 C ATOM 246 CD GLU A 16 -5.982 13.687 -14.989 1.00 0.91 C ATOM 247 OE1 GLU A 16 -7.029 13.976 -14.345 1.00 -0.90 O ATOM 248 OE2 GLU A 16 -5.953 13.141 -16.129 1.00 -0.90 O ATOM 0 H GLU A 16 -3.310 13.084 -11.251 1.00 -0.73 H new ATOM 0 HA GLU A 16 -5.964 13.639 -12.063 1.00 0.36 H new ATOM 0 HB2 GLU A 16 -3.452 12.495 -13.142 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.885 11.769 -13.843 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.656 14.793 -13.702 1.00 -0.11 H new ATOM 0 HG3 GLU A 16 -3.840 13.911 -14.977 1.00 -0.11 H new ATOM 255 N PHE A 17 -5.242 10.518 -11.096 1.00 -0.73 N ATOM 256 CA PHE A 17 -5.783 9.180 -10.852 1.00 0.36 C ATOM 257 C PHE A 17 -6.834 9.253 -9.730 1.00 0.57 C ATOM 258 O PHE A 17 -7.866 8.580 -9.727 1.00 -0.57 O ATOM 259 CB PHE A 17 -4.648 8.229 -10.491 1.00 0.14 C ATOM 260 CG PHE A 17 -5.031 6.773 -10.463 1.00 -0.14 C ATOM 261 CD1 PHE A 17 -4.974 6.019 -11.639 1.00 -0.15 C ATOM 262 CD2 PHE A 17 -5.378 6.139 -9.264 1.00 -0.15 C ATOM 263 CE1 PHE A 17 -5.228 4.656 -11.622 1.00 -0.15 C ATOM 264 CE2 PHE A 17 -5.621 4.765 -9.247 1.00 -0.15 C ATOM 265 CZ PHE A 17 -5.545 4.030 -10.425 1.00 -0.15 C ATOM 0 H PHE A 17 -4.270 10.639 -10.812 1.00 -0.73 H new ATOM 0 HA PHE A 17 -6.268 8.800 -11.751 1.00 0.36 H new ATOM 0 HB2 PHE A 17 -3.838 8.364 -11.208 1.00 0.14 H new ATOM 0 HB3 PHE A 17 -4.257 8.507 -9.512 1.00 0.14 H new ATOM 0 HD1 PHE A 17 -4.729 6.504 -12.572 1.00 -0.15 H new ATOM 0 HD2 PHE A 17 -5.458 6.713 -8.353 1.00 -0.15 H new ATOM 0 HE1 PHE A 17 -5.179 4.084 -12.537 1.00 -0.15 H new ATOM 0 HE2 PHE A 17 -5.868 4.272 -8.318 1.00 -0.15 H new ATOM 0 HZ PHE A 17 -5.734 2.967 -10.408 1.00 -0.15 H new ATOM 275 N MET A 18 -6.537 10.100 -8.690 1.00 -0.73 N ATOM 276 CA MET A 18 -7.430 10.230 -7.545 1.00 0.36 C ATOM 277 C MET A 18 -8.754 10.933 -7.929 1.00 0.57 C ATOM 278 O MET A 18 -9.791 10.757 -7.284 1.00 -0.57 O ATOM 279 CB MET A 18 -6.747 10.988 -6.416 1.00 0.00 C ATOM 280 CG MET A 18 -5.598 10.215 -5.778 1.00 0.23 C ATOM 281 SD MET A 18 -6.155 8.888 -4.651 1.00 -0.46 S ATOM 282 CE MET A 18 -6.516 9.894 -3.192 1.00 0.23 C ATOM 0 H MET A 18 -5.699 10.680 -8.644 1.00 -0.73 H new ATOM 0 HA MET A 18 -7.670 9.223 -7.205 1.00 0.36 H new ATOM 0 HB2 MET A 18 -6.369 11.935 -6.801 1.00 0.00 H new ATOM 0 HB3 MET A 18 -7.485 11.227 -5.650 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.982 9.779 -6.564 1.00 0.23 H new ATOM 0 HG3 MET A 18 -4.965 10.909 -5.225 1.00 0.23 H new ATOM 0 HE1 MET A 18 -6.788 9.244 -2.360 1.00 0.23 H new ATOM 0 HE2 MET A 18 -5.634 10.476 -2.924 1.00 0.23 H new ATOM 0 HE3 MET A 18 -7.344 10.569 -3.411 1.00 0.23 H new ATOM 292 N LYS A 19 -8.698 11.774 -9.019 1.00 -0.73 N ATOM 293 CA LYS A 19 -9.911 12.371 -9.578 1.00 0.36 C ATOM 294 C LYS A 19 -10.784 11.291 -10.269 1.00 0.57 C ATOM 295 O LYS A 19 -11.999 11.430 -10.396 1.00 -0.57 O ATOM 296 CB LYS A 19 -9.628 13.491 -10.594 1.00 0.00 C ATOM 297 CG LYS A 19 -9.600 14.894 -9.973 1.00 0.00 C ATOM 298 CD LYS A 19 -8.299 15.185 -9.231 1.00 0.00 C ATOM 299 CE LYS A 19 -8.301 16.576 -8.614 1.00 0.50 C ATOM 300 NZ LYS A 19 -7.021 16.824 -7.956 1.00 -0.85 N ATOM 0 H LYS A 19 -7.836 12.033 -9.499 1.00 -0.73 H new ATOM 0 HA LYS A 19 -10.438 12.811 -8.731 1.00 0.36 H new ATOM 0 HB2 LYS A 19 -8.670 13.298 -11.077 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.389 13.463 -11.373 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.739 15.637 -10.758 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.438 14.998 -9.283 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.152 14.440 -8.449 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.459 15.094 -9.920 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.476 17.326 -9.385 1.00 0.50 H new ATOM 0 HE3 LYS A 19 -9.114 16.664 -7.894 1.00 0.50 H new ATOM 0 HZ1 LYS A 19 -7.019 17.781 -7.550 1.00 -0.85 H new ATOM 0 HZ2 LYS A 19 -6.879 16.126 -7.198 1.00 -0.85 H new ATOM 0 HZ3 LYS A 19 -6.252 16.741 -8.651 1.00 -0.85 H new ATOM 314 N ARG A 20 -10.110 10.218 -10.818 1.00 -0.73 N ATOM 315 CA ARG A 20 -10.854 9.088 -11.373 1.00 0.36 C ATOM 316 C ARG A 20 -11.489 8.215 -10.265 1.00 0.57 C ATOM 317 O ARG A 20 -12.512 7.561 -10.460 1.00 -0.57 O ATOM 318 CB ARG A 20 -9.989 8.158 -12.228 1.00 0.00 C ATOM 319 CG ARG A 20 -9.187 8.821 -13.341 1.00 0.00 C ATOM 320 CD ARG A 20 -10.038 9.526 -14.384 1.00 0.33 C ATOM 321 NE ARG A 20 -9.195 9.995 -15.484 1.00 -0.84 N ATOM 322 CZ ARG A 20 -8.547 11.179 -15.506 1.00 1.20 C ATOM 323 NH1 ARG A 20 -8.598 12.013 -14.477 1.00 -0.97 N ATOM 324 NH2 ARG A 20 -7.830 11.479 -16.583 1.00 -0.97 N ATOM 0 H ARG A 20 -9.095 10.137 -10.875 1.00 -0.73 H new ATOM 0 HA ARG A 20 -11.621 9.550 -11.995 1.00 0.36 H new ATOM 0 HB2 ARG A 20 -9.295 7.635 -11.570 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.636 7.403 -12.675 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.501 9.543 -12.899 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.578 8.064 -13.836 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.800 8.846 -14.764 1.00 0.33 H new ATOM 0 HD3 ARG A 20 -10.560 10.368 -13.930 1.00 0.33 H new ATOM 0 HE ARG A 20 -9.089 9.383 -16.293 1.00 -0.84 H new ATOM 0 HH11 ARG A 20 -9.135 11.765 -13.646 1.00 -0.97 H new ATOM 0 HH12 ARG A 20 -8.100 12.902 -14.516 1.00 -0.97 H new ATOM 0 HH21 ARG A 20 -7.781 10.823 -17.362 1.00 -0.97 H new ATOM 0 HH22 ARG A 20 -7.328 12.366 -16.631 1.00 -0.97 H new ATOM 338 N LEU A 21 -10.754 8.093 -9.101 1.00 -0.73 N ATOM 339 CA LEU A 21 -11.257 7.278 -7.993 1.00 0.36 C ATOM 340 C LEU A 21 -12.381 8.008 -7.207 1.00 0.57 C ATOM 341 O LEU A 21 -13.084 7.406 -6.392 1.00 -0.57 O ATOM 342 CB LEU A 21 -10.155 6.881 -7.006 1.00 0.00 C ATOM 343 CG LEU A 21 -9.054 5.963 -7.567 1.00 0.00 C ATOM 344 CD1 LEU A 21 -8.151 5.503 -6.422 1.00 0.00 C ATOM 345 CD2 LEU A 21 -9.606 4.737 -8.289 1.00 0.00 C ATOM 0 H LEU A 21 -9.852 8.539 -8.935 1.00 -0.73 H new ATOM 0 HA LEU A 21 -11.656 6.376 -8.456 1.00 0.36 H new ATOM 0 HB2 LEU A 21 -9.687 7.790 -6.628 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.618 6.383 -6.154 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.496 6.545 -8.301 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.369 4.852 -6.814 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.696 6.372 -5.946 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.744 4.957 -5.688 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.780 4.131 -8.661 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.206 4.147 -7.597 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.227 5.057 -9.126 1.00 0.00 H new ATOM 357 N ALA A 22 -12.453 9.356 -7.463 1.00 -0.73 N ATOM 358 CA ALA A 22 -13.487 10.279 -7.011 1.00 0.36 C ATOM 359 C ALA A 22 -13.238 10.837 -5.596 1.00 0.57 C ATOM 360 O ALA A 22 -14.151 11.122 -4.822 1.00 -0.57 O ATOM 361 CB ALA A 22 -14.902 9.739 -7.185 1.00 0.00 C ATOM 0 H ALA A 22 -11.741 9.827 -8.022 1.00 -0.73 H new ATOM 0 HA ALA A 22 -13.409 11.132 -7.685 1.00 0.36 H new ATOM 0 HB1 ALA A 22 -15.620 10.478 -6.828 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.086 9.534 -8.240 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -15.013 8.819 -6.612 1.00 0.00 H new ATOM 433 N ILE A 28 -6.682 15.027 -1.421 1.00 -0.73 N ATOM 434 CA ILE A 28 -5.503 14.709 -2.239 1.00 0.36 C ATOM 435 C ILE A 28 -4.397 15.723 -1.887 1.00 0.57 C ATOM 436 O ILE A 28 -3.200 15.439 -1.885 1.00 -0.57 O ATOM 437 CB ILE A 28 -5.841 14.791 -3.746 1.00 0.00 C ATOM 438 CG1 ILE A 28 -6.992 13.836 -4.115 1.00 0.00 C ATOM 439 CG2 ILE A 28 -4.613 14.488 -4.616 1.00 0.00 C ATOM 440 CD1 ILE A 28 -7.635 14.188 -5.448 1.00 0.00 C ATOM 0 HA ILE A 28 -5.171 13.692 -2.031 1.00 0.36 H new ATOM 0 HB ILE A 28 -6.160 15.814 -3.944 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.614 12.815 -4.156 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -7.749 13.864 -3.331 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.888 14.555 -5.669 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.826 15.211 -4.400 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.252 13.483 -4.398 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.440 13.484 -5.661 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.040 15.199 -5.401 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.887 14.133 -6.239 1.00 0.00 H new ATOM 452 N ASP A 29 -4.842 17.003 -1.627 1.00 -0.73 N ATOM 453 CA ASP A 29 -3.889 18.108 -1.532 1.00 0.36 C ATOM 454 C ASP A 29 -3.059 17.995 -0.228 1.00 0.57 C ATOM 455 O ASP A 29 -2.019 18.629 -0.058 1.00 -0.57 O ATOM 456 CB ASP A 29 -4.623 19.440 -1.609 1.00 -0.11 C ATOM 457 CG ASP A 29 -4.990 19.575 -3.071 1.00 0.91 C ATOM 458 OD1 ASP A 29 -5.899 18.811 -3.514 1.00 -0.90 O ATOM 459 OD2 ASP A 29 -4.276 20.363 -3.758 1.00 -0.90 O ATOM 0 H ASP A 29 -5.819 17.261 -1.489 1.00 -0.73 H new ATOM 0 HA ASP A 29 -3.197 18.055 -2.372 1.00 0.36 H new ATOM 0 HB2 ASP A 29 -5.509 19.444 -0.974 1.00 -0.11 H new ATOM 0 HB3 ASP A 29 -3.990 20.264 -1.279 1.00 -0.11 H new ATOM 464 N LYS A 30 -3.588 17.155 0.728 1.00 -0.73 N ATOM 465 CA LYS A 30 -2.898 16.764 1.953 1.00 0.36 C ATOM 466 C LYS A 30 -2.195 15.388 1.807 1.00 0.57 C ATOM 467 O LYS A 30 -1.941 14.657 2.767 1.00 -0.57 O ATOM 468 CB LYS A 30 -3.896 16.710 3.117 1.00 0.00 C ATOM 469 CG LYS A 30 -4.541 18.071 3.383 1.00 0.00 C ATOM 470 CD LYS A 30 -5.627 17.980 4.461 1.00 0.00 C ATOM 471 CE LYS A 30 -6.526 19.214 4.478 1.00 0.50 C ATOM 472 NZ LYS A 30 -7.411 19.190 3.327 1.00 -0.85 N ATOM 0 H LYS A 30 -4.516 16.742 0.642 1.00 -0.73 H new ATOM 0 HA LYS A 30 -2.131 17.512 2.153 1.00 0.36 H new ATOM 0 HB2 LYS A 30 -4.673 15.978 2.895 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.385 16.369 4.017 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.776 18.782 3.695 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.975 18.455 2.460 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.235 17.092 4.288 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.158 17.860 5.438 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.110 19.238 5.398 1.00 0.50 H new ATOM 0 HE3 LYS A 30 -5.918 20.119 4.463 1.00 0.50 H new ATOM 0 HZ1 LYS A 30 -8.208 19.838 3.489 1.00 -0.85 H new ATOM 0 HZ2 LYS A 30 -6.887 19.490 2.480 1.00 -0.85 H new ATOM 0 HZ3 LYS A 30 -7.772 18.225 3.187 1.00 -0.85 H new ATOM 486 N ALA A 31 -1.740 15.099 0.536 1.00 -0.73 N ATOM 487 CA ALA A 31 -1.088 13.825 0.256 1.00 0.36 C ATOM 488 C ALA A 31 -0.085 13.886 -0.910 1.00 0.57 C ATOM 489 O ALA A 31 0.582 12.905 -1.246 1.00 -0.57 O ATOM 490 CB ALA A 31 -2.124 12.738 0.004 1.00 0.00 C ATOM 0 H ALA A 31 -1.822 15.726 -0.264 1.00 -0.73 H new ATOM 0 HA ALA A 31 -0.508 13.582 1.147 1.00 0.36 H new ATOM 0 HB1 ALA A 31 -1.619 11.795 -0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.755 12.626 0.886 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.741 13.015 -0.851 1.00 0.00 H new ATOM 496 N ARG A 32 0.038 15.106 -1.546 1.00 -0.73 N ATOM 497 CA ARG A 32 1.084 15.287 -2.525 1.00 0.36 C ATOM 498 C ARG A 32 2.421 15.556 -1.811 1.00 0.57 C ATOM 499 O ARG A 32 2.504 16.123 -0.725 1.00 -0.57 O ATOM 500 CB ARG A 32 0.821 16.470 -3.454 1.00 0.00 C ATOM 501 CG ARG A 32 -0.487 16.355 -4.225 1.00 0.00 C ATOM 502 CD ARG A 32 -0.476 17.261 -5.448 1.00 0.33 C ATOM 503 NE ARG A 32 -1.826 17.581 -5.864 1.00 -0.84 N ATOM 504 CZ ARG A 32 -2.554 18.621 -5.452 1.00 1.20 C ATOM 505 NH1 ARG A 32 -2.099 19.502 -4.565 1.00 -0.97 N ATOM 506 NH2 ARG A 32 -3.778 18.773 -5.929 1.00 -0.97 N ATOM 0 H ARG A 32 -0.559 15.917 -1.384 1.00 -0.73 H new ATOM 0 HA ARG A 32 1.115 14.372 -3.117 1.00 0.36 H new ATOM 0 HB2 ARG A 32 0.808 17.388 -2.866 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.645 16.556 -4.162 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.642 15.321 -4.534 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.321 16.622 -3.576 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.067 18.179 -5.221 1.00 0.33 H new ATOM 0 HD3 ARG A 32 0.054 16.771 -6.264 1.00 0.33 H new ATOM 0 HE ARG A 32 -2.262 16.951 -6.537 1.00 -0.84 H new ATOM 0 HH11 ARG A 32 -1.163 19.396 -4.175 1.00 -0.97 H new ATOM 0 HH12 ARG A 32 -2.686 20.284 -4.275 1.00 -0.97 H new ATOM 0 HH21 ARG A 32 -4.151 18.101 -6.600 1.00 -0.97 H new ATOM 0 HH22 ARG A 32 -4.349 19.562 -5.626 1.00 -0.97 H new ATOM 520 N ASN A 33 3.530 15.167 -2.540 1.00 -0.73 N ATOM 521 CA ASN A 33 4.885 15.585 -2.170 1.00 0.36 C ATOM 522 C ASN A 33 5.366 14.941 -0.856 1.00 0.57 C ATOM 523 O ASN A 33 6.355 15.338 -0.245 1.00 -0.57 O ATOM 524 CB ASN A 33 5.086 17.098 -2.126 1.00 0.06 C ATOM 525 CG ASN A 33 4.708 17.756 -3.430 1.00 0.57 C ATOM 526 OD1 ASN A 33 4.404 17.158 -4.456 1.00 -0.57 O ATOM 527 ND2 ASN A 33 4.730 19.120 -3.395 1.00 -0.80 N ATOM 0 H ASN A 33 3.485 14.574 -3.369 1.00 -0.73 H new ATOM 0 HA ASN A 33 5.507 15.213 -2.984 1.00 0.36 H new ATOM 0 HB2 ASN A 33 4.486 17.520 -1.320 1.00 0.06 H new ATOM 0 HB3 ASN A 33 6.129 17.319 -1.897 1.00 0.06 H new ATOM 0 HD21 ASN A 33 4.491 19.655 -4.230 1.00 -0.80 H new ATOM 0 HD22 ASN A 33 4.985 19.604 -2.534 1.00 -0.80 H new ATOM 534 N LEU A 34 4.662 13.816 -0.489 1.00 -0.73 N ATOM 535 CA LEU A 34 5.106 12.963 0.587 1.00 0.36 C ATOM 536 C LEU A 34 5.999 11.869 -0.017 1.00 0.57 C ATOM 537 O LEU A 34 5.900 11.470 -1.176 1.00 -0.57 O ATOM 538 CB LEU A 34 3.936 12.294 1.316 1.00 0.00 C ATOM 539 CG LEU A 34 2.917 13.268 1.932 1.00 0.00 C ATOM 540 CD1 LEU A 34 1.831 12.468 2.646 1.00 0.00 C ATOM 541 CD2 LEU A 34 3.554 14.257 2.908 1.00 0.00 C ATOM 0 H LEU A 34 3.799 13.512 -0.939 1.00 -0.73 H new ATOM 0 HA LEU A 34 5.642 13.574 1.313 1.00 0.36 H new ATOM 0 HB2 LEU A 34 3.415 11.641 0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.335 11.659 2.107 1.00 0.00 H new ATOM 0 HG LEU A 34 2.493 13.856 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.105 13.152 3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.329 11.816 1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.282 11.863 3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.786 14.918 3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.025 13.710 3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.306 14.850 2.387 1.00 0.00 H new ATOM 553 N LYS A 35 6.887 11.331 0.887 1.00 -0.73 N ATOM 554 CA LYS A 35 7.588 10.097 0.585 1.00 0.36 C ATOM 555 C LYS A 35 6.767 8.991 1.258 1.00 0.57 C ATOM 556 O LYS A 35 6.696 8.856 2.477 1.00 -0.57 O ATOM 557 CB LYS A 35 9.033 10.140 1.085 1.00 0.00 C ATOM 558 CG LYS A 35 9.882 10.959 0.107 1.00 0.00 C ATOM 559 CD LYS A 35 11.388 10.876 0.378 1.00 0.00 C ATOM 560 CE LYS A 35 12.187 10.753 -0.920 1.00 0.50 C ATOM 561 NZ LYS A 35 12.082 9.393 -1.434 1.00 -0.85 N ATOM 0 H LYS A 35 7.108 11.741 1.795 1.00 -0.73 H new ATOM 0 HA LYS A 35 7.670 9.924 -0.488 1.00 0.36 H new ATOM 0 HB2 LYS A 35 9.073 10.584 2.080 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.431 9.129 1.171 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.685 10.614 -0.908 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.570 12.002 0.155 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.710 11.764 0.922 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.597 10.018 1.017 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.811 11.461 -1.658 1.00 0.50 H new ATOM 0 HE3 LYS A 35 13.232 11.005 -0.740 1.00 0.50 H new ATOM 0 HZ1 LYS A 35 12.067 9.415 -2.474 1.00 -0.85 H new ATOM 0 HZ2 LYS A 35 12.899 8.836 -1.111 1.00 -0.85 H new ATOM 0 HZ3 LYS A 35 11.205 8.957 -1.085 1.00 -0.85 H new ATOM 575 N ILE A 36 6.010 8.265 0.368 1.00 -0.73 N ATOM 576 CA ILE A 36 5.320 7.047 0.760 1.00 0.36 C ATOM 577 C ILE A 36 6.414 5.956 0.787 1.00 0.57 C ATOM 578 O ILE A 36 7.004 5.556 -0.214 1.00 -0.57 O ATOM 579 CB ILE A 36 4.210 6.713 -0.256 1.00 0.00 C ATOM 580 CG1 ILE A 36 3.151 7.832 -0.381 1.00 0.00 C ATOM 581 CG2 ILE A 36 3.551 5.371 0.061 1.00 0.00 C ATOM 582 CD1 ILE A 36 2.492 8.256 0.923 1.00 0.00 C ATOM 0 H ILE A 36 5.881 8.524 -0.610 1.00 -0.73 H new ATOM 0 HA ILE A 36 4.828 7.137 1.729 1.00 0.36 H new ATOM 0 HB ILE A 36 4.700 6.636 -1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.622 8.706 -0.831 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.374 7.498 -1.069 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.773 5.165 -0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.301 4.580 0.027 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.109 5.409 1.057 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.767 9.045 0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.985 7.401 1.369 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.252 8.627 1.611 1.00 0.00 H new ATOM 594 N ILE A 37 6.738 5.511 2.051 1.00 -0.73 N ATOM 595 CA ILE A 37 7.670 4.396 2.216 1.00 0.36 C ATOM 596 C ILE A 37 6.823 3.135 1.933 1.00 0.57 C ATOM 597 O ILE A 37 5.642 3.046 2.272 1.00 -0.57 O ATOM 598 CB ILE A 37 8.256 4.401 3.650 1.00 0.00 C ATOM 599 CG1 ILE A 37 9.482 5.328 3.808 1.00 0.00 C ATOM 600 CG2 ILE A 37 8.645 3.010 4.168 1.00 0.00 C ATOM 601 CD1 ILE A 37 9.255 6.773 3.396 1.00 0.00 C ATOM 0 H ILE A 37 6.372 5.904 2.918 1.00 -0.73 H new ATOM 0 HA ILE A 37 8.528 4.450 1.546 1.00 0.36 H new ATOM 0 HB ILE A 37 7.430 4.784 4.250 1.00 0.00 H new ATOM 0 HG12 ILE A 37 9.800 5.309 4.850 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.303 4.923 3.217 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.047 3.097 5.177 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.765 2.368 4.182 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.400 2.576 3.513 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.173 7.342 3.544 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.970 6.811 2.345 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.459 7.204 4.004 1.00 0.00 H new ATOM 613 N SER A 38 7.488 2.109 1.307 1.00 -0.73 N ATOM 614 CA SER A 38 6.825 0.865 0.927 1.00 0.36 C ATOM 615 C SER A 38 7.541 -0.345 1.543 1.00 0.57 C ATOM 616 O SER A 38 8.753 -0.376 1.756 1.00 -0.57 O ATOM 617 CB SER A 38 6.770 0.740 -0.592 1.00 0.28 C ATOM 618 OG SER A 38 6.080 1.855 -1.160 1.00 -0.68 O ATOM 0 H SER A 38 8.479 2.143 1.066 1.00 -0.73 H new ATOM 0 HA SER A 38 5.806 0.886 1.312 1.00 0.36 H new ATOM 0 HB2 SER A 38 7.781 0.686 -0.995 1.00 0.28 H new ATOM 0 HB3 SER A 38 6.267 -0.186 -0.869 1.00 0.28 H new ATOM 0 HG SER A 38 6.054 1.761 -2.135 1.00 -0.68 H new ATOM 624 N GLU A 39 6.725 -1.418 1.811 1.00 -0.73 N ATOM 625 CA GLU A 39 7.149 -2.530 2.660 1.00 0.36 C ATOM 626 C GLU A 39 6.538 -3.778 1.985 1.00 0.57 C ATOM 627 O GLU A 39 5.328 -4.009 1.968 1.00 -0.57 O ATOM 628 CB GLU A 39 6.558 -2.415 4.071 1.00 0.00 C ATOM 629 CG GLU A 39 6.699 -1.064 4.760 1.00 -0.11 C ATOM 630 CD GLU A 39 7.820 -0.948 5.745 1.00 0.91 C ATOM 631 OE1 GLU A 39 8.797 -1.743 5.668 1.00 -0.90 O ATOM 632 OE2 GLU A 39 7.751 0.003 6.586 1.00 -0.90 O ATOM 0 H GLU A 39 5.779 -1.514 1.442 1.00 -0.73 H new ATOM 0 HA GLU A 39 8.234 -2.558 2.759 1.00 0.36 H new ATOM 0 HB2 GLU A 39 5.498 -2.661 4.018 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.029 -3.170 4.701 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.833 -0.299 3.995 1.00 -0.11 H new ATOM 0 HG3 GLU A 39 5.764 -0.840 5.274 1.00 -0.11 H new ATOM 639 N VAL A 40 7.430 -4.540 1.272 1.00 -0.73 N ATOM 640 CA VAL A 40 6.993 -5.752 0.567 1.00 0.36 C ATOM 641 C VAL A 40 7.595 -6.933 1.349 1.00 0.57 C ATOM 642 O VAL A 40 8.640 -6.802 1.991 1.00 -0.57 O ATOM 643 CB VAL A 40 7.530 -5.721 -0.884 1.00 0.00 C ATOM 644 CG1 VAL A 40 7.063 -6.926 -1.702 1.00 0.00 C ATOM 645 CG2 VAL A 40 7.110 -4.431 -1.598 1.00 0.00 C ATOM 0 H VAL A 40 8.424 -4.329 1.183 1.00 -0.73 H new ATOM 0 HA VAL A 40 5.907 -5.834 0.514 1.00 0.36 H new ATOM 0 HB VAL A 40 8.617 -5.760 -0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.466 -6.858 -2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.416 -7.844 -1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.974 -6.936 -1.746 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.500 -4.435 -2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.022 -4.369 -1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.508 -3.571 -1.060 1.00 0.00 H new ATOM 655 N LYS A 41 6.969 -8.136 1.175 1.00 -0.73 N ATOM 656 CA LYS A 41 7.569 -9.408 1.576 1.00 0.36 C ATOM 657 C LYS A 41 6.807 -10.505 0.801 1.00 0.57 C ATOM 658 O LYS A 41 5.588 -10.650 0.885 1.00 -0.57 O ATOM 659 CB LYS A 41 7.456 -9.618 3.098 1.00 0.00 C ATOM 660 CG LYS A 41 7.962 -10.987 3.580 1.00 0.00 C ATOM 661 CD LYS A 41 6.829 -11.986 3.847 1.00 0.00 C ATOM 662 CE LYS A 41 6.160 -11.767 5.202 1.00 0.50 C ATOM 663 NZ LYS A 41 4.884 -12.475 5.254 1.00 -0.85 N ATOM 0 H LYS A 41 6.044 -8.231 0.755 1.00 -0.73 H new ATOM 0 HA LYS A 41 8.634 -9.433 1.345 1.00 0.36 H new ATOM 0 HB2 LYS A 41 8.019 -8.835 3.605 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.413 -9.503 3.394 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.636 -11.403 2.831 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.543 -10.853 4.493 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.081 -11.901 3.059 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.226 -13.000 3.802 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.813 -12.120 6.000 1.00 0.50 H new ATOM 0 HE3 LYS A 41 6.000 -10.702 5.369 1.00 0.50 H new ATOM 0 HZ1 LYS A 41 4.519 -12.462 6.228 1.00 -0.85 H new ATOM 0 HZ2 LYS A 41 4.202 -12.009 4.622 1.00 -0.85 H new ATOM 0 HZ3 LYS A 41 5.021 -13.460 4.949 1.00 -0.85 H new ATOM 677 N GLN A 42 7.594 -11.281 -0.005 1.00 -0.73 N ATOM 678 CA GLN A 42 7.117 -12.506 -0.651 1.00 0.36 C ATOM 679 C GLN A 42 7.289 -13.639 0.382 1.00 0.57 C ATOM 680 O GLN A 42 8.351 -13.795 0.989 1.00 -0.57 O ATOM 681 CB GLN A 42 7.972 -12.747 -1.899 1.00 0.00 C ATOM 682 CG GLN A 42 7.664 -14.047 -2.629 1.00 0.06 C ATOM 683 CD GLN A 42 8.371 -14.107 -3.969 1.00 0.57 C ATOM 684 OE1 GLN A 42 9.083 -13.222 -4.429 1.00 -0.57 O ATOM 685 NE2 GLN A 42 8.159 -15.263 -4.655 1.00 -0.80 N ATOM 0 H GLN A 42 8.568 -11.061 -0.213 1.00 -0.73 H new ATOM 0 HA GLN A 42 6.074 -12.448 -0.961 1.00 0.36 H new ATOM 0 HB2 GLN A 42 7.830 -11.915 -2.588 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.023 -12.746 -1.610 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.972 -14.893 -2.015 1.00 0.06 H new ATOM 0 HG3 GLN A 42 6.588 -14.136 -2.779 1.00 0.06 H new ATOM 0 HE21 GLN A 42 7.564 -15.990 -4.258 1.00 -0.80 H new ATOM 0 HE22 GLN A 42 8.596 -15.403 -5.566 1.00 -0.80 H new ATOM 694 N ASP A 43 6.188 -14.445 0.583 1.00 -0.73 N ATOM 695 CA ASP A 43 6.237 -15.597 1.492 1.00 0.36 C ATOM 696 C ASP A 43 6.703 -16.834 0.683 1.00 0.57 C ATOM 697 O ASP A 43 7.281 -17.794 1.186 1.00 -0.57 O ATOM 698 CB ASP A 43 4.863 -15.935 2.050 1.00 -0.11 C ATOM 699 CG ASP A 43 4.254 -14.795 2.822 1.00 0.91 C ATOM 700 OD1 ASP A 43 4.824 -14.484 3.910 1.00 -0.90 O ATOM 701 OD2 ASP A 43 3.214 -14.265 2.333 1.00 -0.90 O ATOM 0 H ASP A 43 5.286 -14.303 0.128 1.00 -0.73 H new ATOM 0 HA ASP A 43 6.910 -15.347 2.312 1.00 0.36 H new ATOM 0 HB2 ASP A 43 4.199 -16.209 1.230 1.00 -0.11 H new ATOM 0 HB3 ASP A 43 4.943 -16.807 2.700 1.00 -0.11 H new ATOM 706 N GLY A 44 6.225 -16.866 -0.616 1.00 -0.73 N ATOM 707 CA GLY A 44 6.602 -17.918 -1.539 1.00 0.36 C ATOM 708 C GLY A 44 5.812 -17.669 -2.821 1.00 0.57 C ATOM 709 O GLY A 44 6.125 -16.787 -3.620 1.00 -0.57 O ATOM 0 H GLY A 44 5.590 -16.170 -1.007 1.00 -0.73 H new ATOM 0 HA2 GLY A 44 7.674 -17.898 -1.733 1.00 0.36 H new ATOM 0 HA3 GLY A 44 6.371 -18.899 -1.125 1.00 0.36 H new ATOM 713 N GLN A 45 4.632 -18.376 -2.923 1.00 -0.73 N ATOM 714 CA GLN A 45 3.591 -17.978 -3.879 1.00 0.36 C ATOM 715 C GLN A 45 2.535 -17.069 -3.192 1.00 0.57 C ATOM 716 O GLN A 45 1.603 -16.550 -3.809 1.00 -0.57 O ATOM 717 CB GLN A 45 2.947 -19.219 -4.509 1.00 0.00 C ATOM 718 CG GLN A 45 2.028 -18.864 -5.680 1.00 0.06 C ATOM 719 CD GLN A 45 1.624 -20.056 -6.513 1.00 0.57 C ATOM 720 OE1 GLN A 45 2.102 -21.176 -6.403 1.00 -0.57 O ATOM 721 NE2 GLN A 45 0.684 -19.762 -7.459 1.00 -0.80 N ATOM 0 H GLN A 45 4.404 -19.197 -2.362 1.00 -0.73 H new ATOM 0 HA GLN A 45 4.049 -17.397 -4.679 1.00 0.36 H new ATOM 0 HB2 GLN A 45 3.729 -19.895 -4.855 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.376 -19.754 -3.751 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.131 -18.380 -5.293 1.00 0.06 H new ATOM 0 HG3 GLN A 45 2.531 -18.138 -6.319 1.00 0.06 H new ATOM 0 HE21 GLN A 45 0.305 -18.817 -7.525 1.00 -0.80 H new ATOM 0 HE22 GLN A 45 0.361 -20.487 -8.100 1.00 -0.80 H new ATOM 730 N ASN A 46 2.673 -16.922 -1.827 1.00 -0.73 N ATOM 731 CA ASN A 46 1.878 -15.935 -1.102 1.00 0.36 C ATOM 732 C ASN A 46 2.772 -14.694 -0.936 1.00 0.57 C ATOM 733 O ASN A 46 4.003 -14.762 -0.996 1.00 -0.57 O ATOM 734 CB ASN A 46 1.443 -16.508 0.227 1.00 0.06 C ATOM 735 CG ASN A 46 0.251 -15.757 0.724 1.00 0.57 C ATOM 736 OD1 ASN A 46 -0.879 -15.928 0.279 1.00 -0.57 O ATOM 737 ND2 ASN A 46 0.546 -14.831 1.671 1.00 -0.80 N ATOM 0 H ASN A 46 3.312 -17.468 -1.249 1.00 -0.73 H new ATOM 0 HA ASN A 46 0.967 -15.665 -1.636 1.00 0.36 H new ATOM 0 HB2 ASN A 46 1.201 -17.565 0.118 1.00 0.06 H new ATOM 0 HB3 ASN A 46 2.257 -16.440 0.949 1.00 0.06 H new ATOM 0 HD21 ASN A 46 -0.191 -14.235 2.048 1.00 -0.80 H new ATOM 0 HD22 ASN A 46 1.504 -14.731 2.006 1.00 -0.80 H new ATOM 744 N PHE A 47 2.085 -13.530 -0.737 1.00 -0.73 N ATOM 745 CA PHE A 47 2.724 -12.229 -0.614 1.00 0.36 C ATOM 746 C PHE A 47 2.030 -11.428 0.501 1.00 0.57 C ATOM 747 O PHE A 47 0.815 -11.450 0.703 1.00 -0.57 O ATOM 748 CB PHE A 47 2.577 -11.402 -1.902 1.00 0.14 C ATOM 749 CG PHE A 47 3.648 -11.625 -2.941 1.00 -0.14 C ATOM 750 CD1 PHE A 47 3.737 -12.826 -3.651 1.00 -0.15 C ATOM 751 CD2 PHE A 47 4.539 -10.593 -3.252 1.00 -0.15 C ATOM 752 CE1 PHE A 47 4.706 -13.001 -4.640 1.00 -0.15 C ATOM 753 CE2 PHE A 47 5.480 -10.756 -4.265 1.00 -0.15 C ATOM 754 CZ PHE A 47 5.574 -11.961 -4.953 1.00 -0.15 C ATOM 0 H PHE A 47 1.069 -13.492 -0.660 1.00 -0.73 H new ATOM 0 HA PHE A 47 3.779 -12.405 -0.403 1.00 0.36 H new ATOM 0 HB2 PHE A 47 1.609 -11.627 -2.349 1.00 0.14 H new ATOM 0 HB3 PHE A 47 2.568 -10.345 -1.636 1.00 0.14 H new ATOM 0 HD1 PHE A 47 3.048 -13.628 -3.432 1.00 -0.15 H new ATOM 0 HD2 PHE A 47 4.497 -9.664 -2.703 1.00 -0.15 H new ATOM 0 HE1 PHE A 47 4.782 -13.944 -5.162 1.00 -0.15 H new ATOM 0 HE2 PHE A 47 6.142 -9.941 -4.518 1.00 -0.15 H new ATOM 0 HZ PHE A 47 6.317 -12.088 -5.726 1.00 -0.15 H new ATOM 764 N THR A 48 2.882 -10.611 1.205 1.00 -0.73 N ATOM 765 CA THR A 48 2.423 -9.526 2.067 1.00 0.36 C ATOM 766 C THR A 48 2.933 -8.218 1.431 1.00 0.57 C ATOM 767 O THR A 48 4.052 -8.121 0.921 1.00 -0.57 O ATOM 768 CB THR A 48 3.017 -9.686 3.481 1.00 0.28 C ATOM 769 OG1 THR A 48 3.155 -11.076 3.856 1.00 -0.68 O ATOM 770 CG2 THR A 48 2.162 -9.005 4.541 1.00 0.00 C ATOM 0 H THR A 48 3.897 -10.706 1.174 1.00 -0.73 H new ATOM 0 HA THR A 48 1.337 -9.528 2.158 1.00 0.36 H new ATOM 0 HB THR A 48 3.998 -9.213 3.437 1.00 0.28 H new ATOM 0 HG1 THR A 48 2.625 -11.252 4.661 1.00 -0.68 H new ATOM 0 HG21 THR A 48 2.619 -9.144 5.521 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.090 -7.940 4.321 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.164 -9.443 4.540 1.00 0.00 H new ATOM 778 N TRP A 49 2.070 -7.151 1.501 1.00 -0.73 N ATOM 779 CA TRP A 49 2.376 -5.890 0.823 1.00 0.36 C ATOM 780 C TRP A 49 1.737 -4.760 1.640 1.00 0.57 C ATOM 781 O TRP A 49 0.554 -4.781 1.983 1.00 -0.57 O ATOM 782 CB TRP A 49 1.800 -5.876 -0.602 1.00 0.18 C ATOM 783 CG TRP A 49 2.511 -4.934 -1.532 1.00 -0.18 C ATOM 784 CD1 TRP A 49 2.509 -3.554 -1.480 1.00 -0.30 C ATOM 785 CD2 TRP A 49 3.285 -5.301 -2.680 1.00 0.00 C ATOM 786 NE1 TRP A 49 3.245 -3.078 -2.532 1.00 0.03 N ATOM 787 CE2 TRP A 49 3.727 -4.123 -3.285 1.00 -0.15 C ATOM 788 CE3 TRP A 49 3.631 -6.530 -3.277 1.00 -0.15 C ATOM 789 CZ2 TRP A 49 4.495 -4.113 -4.454 1.00 -0.15 C ATOM 790 CZ3 TRP A 49 4.396 -6.541 -4.447 1.00 -0.15 C ATOM 791 CH2 TRP A 49 4.823 -5.347 -5.019 1.00 -0.15 C ATOM 0 H TRP A 49 1.187 -7.158 2.011 1.00 -0.73 H new ATOM 0 HA TRP A 49 3.456 -5.765 0.749 1.00 0.36 H new ATOM 0 HB2 TRP A 49 1.848 -6.884 -1.014 1.00 0.18 H new ATOM 0 HB3 TRP A 49 0.746 -5.601 -0.556 1.00 0.18 H new ATOM 0 HD1 TRP A 49 2.011 -2.952 -0.735 1.00 -0.30 H new ATOM 0 HE1 TRP A 49 3.412 -2.091 -2.729 1.00 0.03 H new ATOM 0 HE3 TRP A 49 3.307 -7.459 -2.832 1.00 -0.15 H new ATOM 0 HZ2 TRP A 49 4.822 -3.186 -4.902 1.00 -0.15 H new ATOM 0 HZ3 TRP A 49 4.657 -7.482 -4.909 1.00 -0.15 H new ATOM 0 HH2 TRP A 49 5.420 -5.375 -5.918 1.00 -0.15 H new ATOM 802 N SER A 50 2.581 -3.714 1.922 1.00 -0.73 N ATOM 803 CA SER A 50 2.181 -2.605 2.775 1.00 0.36 C ATOM 804 C SER A 50 2.888 -1.328 2.303 1.00 0.57 C ATOM 805 O SER A 50 3.963 -1.324 1.700 1.00 -0.57 O ATOM 806 CB SER A 50 2.504 -2.873 4.252 1.00 0.28 C ATOM 807 OG SER A 50 1.748 -3.963 4.775 1.00 -0.68 O ATOM 0 H SER A 50 3.532 -3.641 1.560 1.00 -0.73 H new ATOM 0 HA SER A 50 1.100 -2.486 2.697 1.00 0.36 H new ATOM 0 HB2 SER A 50 3.568 -3.086 4.358 1.00 0.28 H new ATOM 0 HB3 SER A 50 2.299 -1.976 4.836 1.00 0.28 H new ATOM 0 HG SER A 50 1.092 -3.626 5.420 1.00 -0.68 H new ATOM 813 N GLN A 51 2.227 -0.162 2.615 1.00 -0.73 N ATOM 814 CA GLN A 51 2.822 1.146 2.356 1.00 0.36 C ATOM 815 C GLN A 51 2.518 2.058 3.552 1.00 0.57 C ATOM 816 O GLN A 51 1.489 1.936 4.218 1.00 -0.57 O ATOM 817 CB GLN A 51 2.311 1.799 1.069 1.00 0.00 C ATOM 818 CG GLN A 51 2.594 0.982 -0.189 1.00 0.06 C ATOM 819 CD GLN A 51 2.446 1.844 -1.423 1.00 0.57 C ATOM 820 OE1 GLN A 51 1.405 1.942 -2.066 1.00 -0.57 O ATOM 821 NE2 GLN A 51 3.554 2.553 -1.759 1.00 -0.80 N ATOM 0 H GLN A 51 1.299 -0.128 3.038 1.00 -0.73 H new ATOM 0 HA GLN A 51 3.894 1.003 2.223 1.00 0.36 H new ATOM 0 HB2 GLN A 51 1.236 1.957 1.155 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.770 2.782 0.964 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.602 0.571 -0.144 1.00 0.06 H new ATOM 0 HG3 GLN A 51 1.907 0.137 -0.244 1.00 0.06 H new ATOM 0 HE21 GLN A 51 4.408 2.455 -1.210 1.00 -0.80 H new ATOM 0 HE22 GLN A 51 3.532 3.183 -2.561 1.00 -0.80 H new ATOM 830 N GLN A 52 3.465 3.015 3.811 1.00 -0.73 N ATOM 831 CA GLN A 52 3.340 3.955 4.908 1.00 0.36 C ATOM 832 C GLN A 52 2.959 5.334 4.342 1.00 0.57 C ATOM 833 O GLN A 52 3.604 5.883 3.452 1.00 -0.57 O ATOM 834 CB GLN A 52 4.654 4.152 5.673 1.00 0.00 C ATOM 835 CG GLN A 52 5.367 2.870 6.078 1.00 0.06 C ATOM 836 CD GLN A 52 4.657 2.087 7.154 1.00 0.57 C ATOM 837 OE1 GLN A 52 3.561 2.383 7.615 1.00 -0.57 O ATOM 838 NE2 GLN A 52 5.355 1.001 7.584 1.00 -0.80 N ATOM 0 H GLN A 52 4.314 3.132 3.258 1.00 -0.73 H new ATOM 0 HA GLN A 52 2.588 3.548 5.584 1.00 0.36 H new ATOM 0 HB2 GLN A 52 5.329 4.745 5.056 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.449 4.734 6.571 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.482 2.237 5.198 1.00 0.06 H new ATOM 0 HG3 GLN A 52 6.370 3.118 6.425 1.00 0.06 H new ATOM 0 HE21 GLN A 52 6.265 0.786 7.177 1.00 -0.80 H new ATOM 0 HE22 GLN A 52 4.968 0.402 8.314 1.00 -0.80 H new ATOM 847 N TYR A 53 1.879 5.913 4.965 1.00 -0.73 N ATOM 848 CA TYR A 53 1.597 7.353 4.846 1.00 0.36 C ATOM 849 C TYR A 53 2.132 7.916 6.180 1.00 0.57 C ATOM 850 O TYR A 53 1.802 7.390 7.256 1.00 -0.57 O ATOM 851 CB TYR A 53 0.082 7.592 4.740 1.00 0.14 C ATOM 852 CG TYR A 53 -0.394 9.027 4.723 1.00 -0.14 C ATOM 853 CD1 TYR A 53 -0.511 9.748 5.921 1.00 -0.15 C ATOM 854 CD2 TYR A 53 -0.783 9.656 3.532 1.00 -0.15 C ATOM 855 CE1 TYR A 53 -0.995 11.058 5.930 1.00 -0.15 C ATOM 856 CE2 TYR A 53 -1.288 10.966 3.545 1.00 -0.15 C ATOM 857 CZ TYR A 53 -1.392 11.659 4.744 1.00 0.08 C ATOM 858 OH TYR A 53 -1.888 12.924 4.816 1.00 -0.53 O ATOM 0 H TYR A 53 1.211 5.400 5.540 1.00 -0.73 H new ATOM 0 HA TYR A 53 2.046 7.813 3.966 1.00 0.36 H new ATOM 0 HB2 TYR A 53 -0.273 7.108 3.830 1.00 0.14 H new ATOM 0 HB3 TYR A 53 -0.399 7.087 5.578 1.00 0.14 H new ATOM 0 HD1 TYR A 53 -0.222 9.282 6.852 1.00 -0.15 H new ATOM 0 HD2 TYR A 53 -0.693 9.127 2.595 1.00 -0.15 H new ATOM 0 HE1 TYR A 53 -1.060 11.603 6.860 1.00 -0.15 H new ATOM 0 HE2 TYR A 53 -1.596 11.435 2.622 1.00 -0.15 H new ATOM 0 HH TYR A 53 -1.724 13.388 3.969 1.00 -0.53 H new ATOM 868 N PRO A 54 2.967 9.005 6.149 1.00 -0.66 N ATOM 869 CA PRO A 54 3.525 9.580 7.375 1.00 0.36 C ATOM 870 C PRO A 54 2.429 10.412 8.081 1.00 0.57 C ATOM 871 O PRO A 54 2.186 11.586 7.816 1.00 -0.57 O ATOM 872 CB PRO A 54 4.701 10.431 6.898 1.00 0.00 C ATOM 873 CG PRO A 54 4.327 10.805 5.470 1.00 0.00 C ATOM 874 CD PRO A 54 3.602 9.569 4.966 1.00 0.30 C ATOM 0 HA PRO A 54 3.861 8.842 8.103 1.00 0.36 H new ATOM 0 HB2 PRO A 54 4.833 11.316 7.521 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.637 9.874 6.933 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.688 11.687 5.439 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.208 11.028 4.868 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.865 9.825 4.205 1.00 0.30 H new ATOM 0 HD3 PRO A 54 4.295 8.860 4.513 1.00 0.30 H new ATOM 882 N GLY A 55 1.669 9.677 8.973 1.00 -0.73 N ATOM 883 CA GLY A 55 0.544 10.251 9.691 1.00 0.36 C ATOM 884 C GLY A 55 -0.721 9.373 9.740 1.00 0.57 C ATOM 885 O GLY A 55 -1.847 9.857 9.868 1.00 -0.57 O ATOM 0 H GLY A 55 1.842 8.695 9.187 1.00 -0.73 H new ATOM 0 HA2 GLY A 55 0.857 10.466 10.713 1.00 0.36 H new ATOM 0 HA3 GLY A 55 0.287 11.204 9.229 1.00 0.36 H new ATOM 889 N GLY A 56 -0.510 8.007 9.777 1.00 -0.73 N ATOM 890 CA GLY A 56 -1.528 7.136 10.350 1.00 0.36 C ATOM 891 C GLY A 56 -2.626 6.729 9.367 1.00 0.57 C ATOM 892 O GLY A 56 -3.769 6.461 9.732 1.00 -0.57 O ATOM 0 H GLY A 56 0.323 7.534 9.427 1.00 -0.73 H new ATOM 0 HA2 GLY A 56 -1.047 6.236 10.734 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -1.986 7.641 11.201 1.00 0.36 H new ATOM 896 N HIS A 57 -2.203 6.565 8.070 1.00 -0.73 N ATOM 897 CA HIS A 57 -3.060 6.009 7.013 1.00 0.36 C ATOM 898 C HIS A 57 -2.174 5.116 6.137 1.00 0.57 C ATOM 899 O HIS A 57 -2.106 5.225 4.916 1.00 -0.57 O ATOM 900 CB HIS A 57 -3.756 7.096 6.173 1.00 0.17 C ATOM 901 CG HIS A 57 -4.504 8.065 7.029 1.00 -0.07 C ATOM 902 ND1 HIS A 57 -4.066 9.395 7.180 1.00 -0.59 N ATOM 903 CD2 HIS A 57 -5.580 7.813 7.926 1.00 0.20 C ATOM 904 CE1 HIS A 57 -4.799 9.909 8.242 1.00 0.30 C ATOM 905 NE2 HIS A 57 -5.749 8.959 8.694 1.00 -0.15 N ATOM 0 H HIS A 57 -1.268 6.817 7.751 1.00 -0.73 H new ATOM 0 HA HIS A 57 -3.869 5.437 7.467 1.00 0.36 H new ATOM 0 HB2 HIS A 57 -3.012 7.631 5.583 1.00 0.17 H new ATOM 0 HB3 HIS A 57 -4.443 6.627 5.469 1.00 0.17 H new ATOM 0 HD1 HIS A 57 -3.359 9.879 6.626 1.00 -0.59 H new ATOM 0 HD2 HIS A 57 -6.157 6.903 7.997 1.00 0.20 H new ATOM 0 HE1 HIS A 57 -4.664 10.894 8.664 1.00 0.30 H new ATOM 914 N SER A 58 -1.469 4.175 6.857 1.00 -0.73 N ATOM 915 CA SER A 58 -0.708 3.145 6.167 1.00 0.36 C ATOM 916 C SER A 58 -1.670 2.153 5.492 1.00 0.57 C ATOM 917 O SER A 58 -2.765 1.849 5.955 1.00 -0.57 O ATOM 918 CB SER A 58 0.216 2.404 7.139 1.00 0.28 C ATOM 919 OG SER A 58 -0.456 2.147 8.377 1.00 -0.68 O ATOM 0 H SER A 58 -1.430 4.133 7.875 1.00 -0.73 H new ATOM 0 HA SER A 58 -0.089 3.622 5.407 1.00 0.36 H new ATOM 0 HB2 SER A 58 0.542 1.464 6.694 1.00 0.28 H new ATOM 0 HB3 SER A 58 1.112 2.998 7.322 1.00 0.28 H new ATOM 0 HG SER A 58 0.148 1.672 8.985 1.00 -0.68 H new ATOM 925 N ILE A 59 -1.187 1.658 4.301 1.00 -0.73 N ATOM 926 CA ILE A 59 -1.899 0.637 3.546 1.00 0.36 C ATOM 927 C ILE A 59 -1.250 -0.696 3.963 1.00 0.57 C ATOM 928 O ILE A 59 -0.051 -0.782 4.245 1.00 -0.57 O ATOM 929 CB ILE A 59 -1.731 0.843 2.021 1.00 0.00 C ATOM 930 CG1 ILE A 59 -1.962 2.298 1.559 1.00 0.00 C ATOM 931 CG2 ILE A 59 -2.618 -0.133 1.240 1.00 0.00 C ATOM 932 CD1 ILE A 59 -3.322 2.887 1.906 1.00 0.00 C ATOM 0 H ILE A 59 -0.314 1.965 3.871 1.00 -0.73 H new ATOM 0 HA ILE A 59 -2.969 0.670 3.752 1.00 0.36 H new ATOM 0 HB ILE A 59 -0.685 0.627 1.801 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.189 2.928 2.000 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.831 2.343 0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.484 0.030 0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.339 -1.157 1.489 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.662 0.033 1.504 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.380 3.911 1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.107 2.289 1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.455 2.883 2.988 1.00 0.00 H new ATOM 944 N THR A 60 -2.068 -1.792 3.935 1.00 -0.73 N ATOM 945 CA THR A 60 -1.584 -3.159 4.179 1.00 0.36 C ATOM 946 C THR A 60 -2.564 -4.110 3.487 1.00 0.57 C ATOM 947 O THR A 60 -3.773 -3.884 3.455 1.00 -0.57 O ATOM 948 CB THR A 60 -1.444 -3.449 5.691 1.00 0.28 C ATOM 949 OG1 THR A 60 -0.246 -2.819 6.193 1.00 -0.68 O ATOM 950 CG2 THR A 60 -1.330 -4.927 6.043 1.00 0.00 C ATOM 0 H THR A 60 -3.068 -1.738 3.743 1.00 -0.73 H new ATOM 0 HA THR A 60 -0.583 -3.297 3.769 1.00 0.36 H new ATOM 0 HB THR A 60 -2.358 -3.060 6.139 1.00 0.28 H new ATOM 0 HG1 THR A 60 0.060 -2.142 5.554 1.00 -0.68 H new ATOM 0 HG21 THR A 60 -1.236 -5.038 7.123 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.222 -5.452 5.701 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.451 -5.350 5.557 1.00 0.00 H new ATOM 958 N ASN A 61 -2.004 -5.229 2.927 1.00 -0.73 N ATOM 959 CA ASN A 61 -2.778 -6.253 2.225 1.00 0.36 C ATOM 960 C ASN A 61 -1.919 -7.533 2.219 1.00 0.57 C ATOM 961 O ASN A 61 -0.696 -7.515 2.082 1.00 -0.57 O ATOM 962 CB ASN A 61 -3.088 -5.858 0.782 1.00 0.06 C ATOM 963 CG ASN A 61 -4.553 -5.587 0.522 1.00 0.57 C ATOM 964 OD1 ASN A 61 -5.206 -6.230 -0.295 1.00 -0.57 O ATOM 965 ND2 ASN A 61 -5.105 -4.527 1.170 1.00 -0.80 N ATOM 0 H ASN A 61 -1.004 -5.426 2.961 1.00 -0.73 H new ATOM 0 HA ASN A 61 -3.733 -6.392 2.732 1.00 0.36 H new ATOM 0 HB2 ASN A 61 -2.513 -4.967 0.528 1.00 0.06 H new ATOM 0 HB3 ASN A 61 -2.752 -6.654 0.118 1.00 0.06 H new ATOM 0 HD21 ASN A 61 -6.071 -4.259 0.979 1.00 -0.80 H new ATOM 0 HD22 ASN A 61 -4.554 -4.000 1.847 1.00 -0.80 H new ATOM 972 N THR A 62 -2.633 -8.699 2.362 1.00 -0.73 N ATOM 973 CA THR A 62 -2.015 -10.020 2.146 1.00 0.36 C ATOM 974 C THR A 62 -2.754 -10.621 0.949 1.00 0.57 C ATOM 975 O THR A 62 -3.964 -10.446 0.799 1.00 -0.57 O ATOM 976 CB THR A 62 -2.191 -10.889 3.401 1.00 0.28 C ATOM 977 OG1 THR A 62 -1.657 -10.205 4.546 1.00 -0.68 O ATOM 978 CG2 THR A 62 -1.477 -12.227 3.314 1.00 0.00 C ATOM 0 H THR A 62 -3.619 -8.734 2.622 1.00 -0.73 H new ATOM 0 HA THR A 62 -0.944 -9.954 1.956 1.00 0.36 H new ATOM 0 HB THR A 62 -3.263 -11.069 3.487 1.00 0.28 H new ATOM 0 HG1 THR A 62 -1.773 -10.762 5.344 1.00 -0.68 H new ATOM 0 HG21 THR A 62 -1.643 -12.789 4.233 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.866 -12.793 2.468 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.408 -12.061 3.179 1.00 0.00 H new ATOM 986 N PHE A 63 -2.002 -11.364 0.079 1.00 -0.73 N ATOM 987 CA PHE A 63 -2.597 -11.944 -1.121 1.00 0.36 C ATOM 988 C PHE A 63 -1.753 -13.137 -1.606 1.00 0.57 C ATOM 989 O PHE A 63 -0.553 -13.260 -1.363 1.00 -0.57 O ATOM 990 CB PHE A 63 -2.854 -10.922 -2.242 1.00 0.14 C ATOM 991 CG PHE A 63 -1.652 -10.167 -2.763 1.00 -0.14 C ATOM 992 CD1 PHE A 63 -0.782 -10.755 -3.691 1.00 -0.15 C ATOM 993 CD2 PHE A 63 -1.437 -8.834 -2.386 1.00 -0.15 C ATOM 994 CE1 PHE A 63 0.258 -10.016 -4.256 1.00 -0.15 C ATOM 995 CE2 PHE A 63 -0.392 -8.099 -2.949 1.00 -0.15 C ATOM 996 CZ PHE A 63 0.449 -8.688 -3.890 1.00 -0.15 C ATOM 0 H PHE A 63 -1.008 -11.560 0.200 1.00 -0.73 H new ATOM 0 HA PHE A 63 -3.587 -12.304 -0.843 1.00 0.36 H new ATOM 0 HB2 PHE A 63 -3.316 -11.445 -3.079 1.00 0.14 H new ATOM 0 HB3 PHE A 63 -3.581 -10.195 -1.879 1.00 0.14 H new ATOM 0 HD1 PHE A 63 -0.918 -11.789 -3.971 1.00 -0.15 H new ATOM 0 HD2 PHE A 63 -2.084 -8.372 -1.655 1.00 -0.15 H new ATOM 0 HE1 PHE A 63 0.916 -10.476 -4.979 1.00 -0.15 H new ATOM 0 HE2 PHE A 63 -0.236 -7.072 -2.654 1.00 -0.15 H new ATOM 0 HZ PHE A 63 1.248 -8.114 -4.335 1.00 -0.15 H new ATOM 1006 N THR A 64 -2.449 -14.053 -2.357 1.00 -0.73 N ATOM 1007 CA THR A 64 -1.810 -15.215 -2.976 1.00 0.36 C ATOM 1008 C THR A 64 -1.783 -14.961 -4.489 1.00 0.57 C ATOM 1009 O THR A 64 -2.730 -14.445 -5.080 1.00 -0.57 O ATOM 1010 CB THR A 64 -2.596 -16.507 -2.682 1.00 0.28 C ATOM 1011 OG1 THR A 64 -3.063 -16.551 -1.327 1.00 -0.68 O ATOM 1012 CG2 THR A 64 -1.780 -17.767 -2.940 1.00 0.00 C ATOM 0 H THR A 64 -3.451 -13.989 -2.535 1.00 -0.73 H new ATOM 0 HA THR A 64 -0.805 -15.346 -2.574 1.00 0.36 H new ATOM 0 HB THR A 64 -3.442 -16.484 -3.369 1.00 0.28 H new ATOM 0 HG1 THR A 64 -2.324 -16.338 -0.719 1.00 -0.68 H new ATOM 0 HG21 THR A 64 -2.386 -18.645 -2.716 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.474 -17.795 -3.986 1.00 0.00 H new ATOM 0 HG23 THR A 64 -0.895 -17.764 -2.303 1.00 0.00 H new ATOM 1020 N ILE A 65 -0.644 -15.372 -5.135 1.00 -0.73 N ATOM 1021 CA ILE A 65 -0.488 -15.235 -6.582 1.00 0.36 C ATOM 1022 C ILE A 65 -1.174 -16.427 -7.284 1.00 0.57 C ATOM 1023 O ILE A 65 -1.052 -17.589 -6.897 1.00 -0.57 O ATOM 1024 CB ILE A 65 1.018 -15.218 -6.946 1.00 0.00 C ATOM 1025 CG1 ILE A 65 1.723 -13.945 -6.445 1.00 0.00 C ATOM 1026 CG2 ILE A 65 1.311 -15.462 -8.427 1.00 0.00 C ATOM 1027 CD1 ILE A 65 1.346 -12.656 -7.156 1.00 0.00 C ATOM 0 H ILE A 65 0.157 -15.793 -4.664 1.00 -0.73 H new ATOM 0 HA ILE A 65 -0.947 -14.302 -6.910 1.00 0.36 H new ATOM 0 HB ILE A 65 1.437 -16.073 -6.415 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.508 -13.828 -5.383 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.800 -14.088 -6.539 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.388 -15.434 -8.594 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.924 -16.439 -8.718 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.830 -14.688 -9.025 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.902 -11.825 -6.722 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.588 -12.741 -8.215 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.277 -12.476 -7.041 1.00 0.00 H new ATOM 1039 N GLY A 66 -1.811 -16.082 -8.455 1.00 -0.73 N ATOM 1040 CA GLY A 66 -2.289 -17.080 -9.392 1.00 0.36 C ATOM 1041 C GLY A 66 -3.729 -17.531 -9.171 1.00 0.57 C ATOM 1042 O GLY A 66 -4.156 -18.572 -9.669 1.00 -0.57 O ATOM 0 H GLY A 66 -1.989 -15.119 -8.741 1.00 -0.73 H new ATOM 0 HA2 GLY A 66 -2.200 -16.681 -10.402 1.00 0.36 H new ATOM 0 HA3 GLY A 66 -1.638 -17.952 -9.335 1.00 0.36 H new ATOM 1046 N LYS A 67 -4.533 -16.651 -8.484 1.00 -0.73 N ATOM 1047 CA LYS A 67 -5.957 -16.899 -8.339 1.00 0.36 C ATOM 1048 C LYS A 67 -6.686 -15.552 -8.092 1.00 0.57 C ATOM 1049 O LYS A 67 -6.211 -14.466 -8.434 1.00 -0.57 O ATOM 1050 CB LYS A 67 -6.222 -17.996 -7.290 1.00 0.00 C ATOM 1051 CG LYS A 67 -5.859 -17.632 -5.838 1.00 0.00 C ATOM 1052 CD LYS A 67 -6.934 -18.152 -4.870 1.00 0.00 C ATOM 1053 CE LYS A 67 -6.698 -17.802 -3.406 1.00 0.50 C ATOM 1054 NZ LYS A 67 -7.326 -16.521 -3.103 1.00 -0.85 N ATOM 0 H LYS A 67 -4.202 -15.793 -8.043 1.00 -0.73 H new ATOM 0 HA LYS A 67 -6.377 -17.305 -9.259 1.00 0.36 H new ATOM 0 HB2 LYS A 67 -7.279 -18.260 -7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.661 -18.887 -7.573 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.891 -18.061 -5.580 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.765 -16.550 -5.740 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.901 -17.751 -5.174 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.995 -19.236 -4.965 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.109 -18.581 -2.764 1.00 0.50 H new ATOM 0 HE3 LYS A 67 -5.629 -17.752 -3.201 1.00 0.50 H new ATOM 0 HZ1 LYS A 67 -7.150 -16.275 -2.108 1.00 -0.85 H new ATOM 0 HZ2 LYS A 67 -6.926 -15.784 -3.718 1.00 -0.85 H new ATOM 0 HZ3 LYS A 67 -8.351 -16.589 -3.267 1.00 -0.85 H new ATOM 1068 N GLU A 68 -7.941 -15.649 -7.533 1.00 -0.73 N ATOM 1069 CA GLU A 68 -8.596 -14.471 -6.992 1.00 0.36 C ATOM 1070 C GLU A 68 -7.970 -14.119 -5.627 1.00 0.57 C ATOM 1071 O GLU A 68 -7.226 -14.880 -5.009 1.00 -0.57 O ATOM 1072 CB GLU A 68 -10.117 -14.684 -6.907 1.00 0.00 C ATOM 1073 CG GLU A 68 -10.599 -15.908 -6.116 1.00 -0.11 C ATOM 1074 CD GLU A 68 -10.539 -15.704 -4.613 1.00 0.91 C ATOM 1075 OE1 GLU A 68 -11.435 -14.960 -4.123 1.00 -0.90 O ATOM 1076 OE2 GLU A 68 -9.602 -16.288 -4.000 1.00 -0.90 O ATOM 0 H GLU A 68 -8.478 -16.513 -7.461 1.00 -0.73 H new ATOM 0 HA GLU A 68 -8.441 -13.623 -7.659 1.00 0.36 H new ATOM 0 HB2 GLU A 68 -10.561 -13.794 -6.460 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.507 -14.760 -7.922 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.624 -16.140 -6.405 1.00 -0.11 H new ATOM 0 HG3 GLU A 68 -9.989 -16.771 -6.385 1.00 -0.11 H new ATOM 1083 N CYS A 69 -8.329 -12.907 -5.116 1.00 -0.73 N ATOM 1084 CA CYS A 69 -8.424 -12.654 -3.677 1.00 0.36 C ATOM 1085 C CYS A 69 -9.530 -11.587 -3.538 1.00 0.57 C ATOM 1086 O CYS A 69 -9.949 -10.951 -4.508 1.00 -0.57 O ATOM 1087 CB CYS A 69 -7.122 -12.154 -3.023 1.00 0.23 C ATOM 1088 SG CYS A 69 -5.935 -13.487 -2.628 1.00 -0.41 S ATOM 0 H CYS A 69 -8.555 -12.098 -5.694 1.00 -0.73 H new ATOM 0 HA CYS A 69 -8.638 -13.588 -3.158 1.00 0.36 H new ATOM 0 HB2 CYS A 69 -6.642 -11.439 -3.691 1.00 0.23 H new ATOM 0 HB3 CYS A 69 -7.369 -11.617 -2.107 1.00 0.23 H new ATOM 0 HG CYS A 69 -5.539 -13.364 -1.396 1.00 -0.41 H new ATOM 1094 N ASP A 70 -10.009 -11.391 -2.267 1.00 -0.73 N ATOM 1095 CA ASP A 70 -10.847 -10.222 -1.958 1.00 0.36 C ATOM 1096 C ASP A 70 -9.882 -9.082 -1.568 1.00 0.57 C ATOM 1097 O ASP A 70 -8.905 -9.296 -0.851 1.00 -0.57 O ATOM 1098 CB ASP A 70 -11.830 -10.511 -0.838 1.00 -0.11 C ATOM 1099 CG ASP A 70 -13.144 -10.847 -1.505 1.00 0.91 C ATOM 1100 OD1 ASP A 70 -13.213 -11.939 -2.138 1.00 -0.90 O ATOM 1101 OD2 ASP A 70 -14.077 -10.006 -1.353 1.00 -0.90 O ATOM 0 H ASP A 70 -9.828 -12.012 -1.478 1.00 -0.73 H new ATOM 0 HA ASP A 70 -11.453 -9.949 -2.822 1.00 0.36 H new ATOM 0 HB2 ASP A 70 -11.484 -11.340 -0.221 1.00 -0.11 H new ATOM 0 HB3 ASP A 70 -11.937 -9.648 -0.181 1.00 -0.11 H new ATOM 1106 N ILE A 71 -10.174 -7.848 -2.105 1.00 -0.73 N ATOM 1107 CA ILE A 71 -9.254 -6.710 -2.036 1.00 0.36 C ATOM 1108 C ILE A 71 -10.102 -5.424 -1.835 1.00 0.57 C ATOM 1109 O ILE A 71 -11.182 -5.251 -2.403 1.00 -0.57 O ATOM 1110 CB ILE A 71 -8.428 -6.565 -3.351 1.00 0.00 C ATOM 1111 CG1 ILE A 71 -7.667 -7.837 -3.785 1.00 0.00 C ATOM 1112 CG2 ILE A 71 -7.450 -5.386 -3.275 1.00 0.00 C ATOM 1113 CD1 ILE A 71 -6.479 -8.222 -2.917 1.00 0.00 C ATOM 0 H ILE A 71 -11.049 -7.641 -2.587 1.00 -0.73 H new ATOM 0 HA ILE A 71 -8.557 -6.866 -1.213 1.00 0.36 H new ATOM 0 HB ILE A 71 -9.181 -6.380 -4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.369 -8.671 -3.799 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -7.317 -7.698 -4.808 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.892 -5.316 -4.209 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.006 -4.462 -3.114 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.757 -5.541 -2.448 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.019 -9.128 -3.311 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.749 -7.413 -2.920 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.817 -8.401 -1.896 1.00 0.00 H new ATOM 1125 N GLU A 72 -9.510 -4.462 -1.043 1.00 -0.73 N ATOM 1126 CA GLU A 72 -10.086 -3.125 -0.812 1.00 0.36 C ATOM 1127 C GLU A 72 -9.005 -2.260 -0.111 1.00 0.57 C ATOM 1128 O GLU A 72 -8.135 -2.767 0.598 1.00 -0.57 O ATOM 1129 CB GLU A 72 -11.327 -3.243 0.087 1.00 0.00 C ATOM 1130 CG GLU A 72 -12.106 -1.984 0.472 1.00 -0.11 C ATOM 1131 CD GLU A 72 -12.388 -0.864 -0.515 1.00 0.91 C ATOM 1132 OE1 GLU A 72 -11.451 -0.531 -1.294 1.00 -0.90 O ATOM 1133 OE2 GLU A 72 -13.495 -0.273 -0.390 1.00 -0.90 O ATOM 0 H GLU A 72 -8.625 -4.611 -0.559 1.00 -0.73 H new ATOM 0 HA GLU A 72 -10.386 -2.668 -1.755 1.00 0.36 H new ATOM 0 HB2 GLU A 72 -12.024 -3.919 -0.408 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.014 -3.728 1.012 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.073 -2.319 0.848 1.00 -0.11 H new ATOM 0 HG3 GLU A 72 -11.576 -1.534 1.311 1.00 -0.11 H new ATOM 1140 N THR A 73 -9.147 -0.899 -0.312 1.00 -0.73 N ATOM 1141 CA THR A 73 -8.990 0.075 0.779 1.00 0.36 C ATOM 1142 C THR A 73 -9.344 1.544 0.371 1.00 0.57 C ATOM 1143 O THR A 73 -8.928 2.496 1.040 1.00 -0.57 O ATOM 1144 CB THR A 73 -7.610 0.052 1.492 1.00 0.28 C ATOM 1145 OG1 THR A 73 -7.584 0.897 2.655 1.00 -0.68 O ATOM 1146 CG2 THR A 73 -6.455 0.455 0.589 1.00 0.00 C ATOM 0 H THR A 73 -9.367 -0.481 -1.216 1.00 -0.73 H new ATOM 0 HA THR A 73 -9.728 -0.273 1.501 1.00 0.36 H new ATOM 0 HB THR A 73 -7.477 -0.989 1.785 1.00 0.28 H new ATOM 0 HG1 THR A 73 -8.008 1.755 2.445 1.00 -0.68 H new ATOM 0 HG21 THR A 73 -5.522 0.417 1.152 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.397 -0.231 -0.256 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.616 1.469 0.223 1.00 0.00 H new ATOM 1154 N ILE A 74 -10.207 1.753 -0.682 1.00 -0.73 N ATOM 1155 CA ILE A 74 -10.524 3.093 -1.197 1.00 0.36 C ATOM 1156 C ILE A 74 -12.056 3.228 -1.470 1.00 0.57 C ATOM 1157 O ILE A 74 -12.530 3.789 -2.461 1.00 -0.57 O ATOM 1158 CB ILE A 74 -9.610 3.482 -2.401 1.00 0.00 C ATOM 1159 CG1 ILE A 74 -8.099 3.492 -2.048 1.00 0.00 C ATOM 1160 CG2 ILE A 74 -9.971 4.837 -3.035 1.00 0.00 C ATOM 1161 CD1 ILE A 74 -7.647 4.586 -1.085 1.00 0.00 C ATOM 0 H ILE A 74 -10.684 0.998 -1.175 1.00 -0.73 H new ATOM 0 HA ILE A 74 -10.293 3.833 -0.431 1.00 0.36 H new ATOM 0 HB ILE A 74 -9.800 2.692 -3.128 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.840 2.525 -1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.530 3.591 -2.973 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -9.295 5.042 -3.865 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -10.997 4.805 -3.402 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.877 5.625 -2.288 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.575 4.497 -0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.864 5.563 -1.517 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.179 4.481 -0.139 1.00 0.00 H new ATOM 1173 N GLY A 75 -12.850 2.864 -0.402 1.00 -0.73 N ATOM 1174 CA GLY A 75 -14.149 3.475 -0.175 1.00 0.36 C ATOM 1175 C GLY A 75 -15.391 2.670 -0.566 1.00 0.57 C ATOM 1176 O GLY A 75 -16.334 3.195 -1.158 1.00 -0.57 O ATOM 0 H GLY A 75 -12.590 2.159 0.287 1.00 -0.73 H new ATOM 0 HA2 GLY A 75 -14.226 3.716 0.885 1.00 0.36 H new ATOM 0 HA3 GLY A 75 -14.176 4.419 -0.720 1.00 0.36 H new ATOM 1180 N GLY A 76 -15.433 1.392 -0.071 1.00 -0.73 N ATOM 1181 CA GLY A 76 -16.578 0.518 -0.289 1.00 0.36 C ATOM 1182 C GLY A 76 -16.524 -0.309 -1.584 1.00 0.57 C ATOM 1183 O GLY A 76 -17.431 -1.067 -1.925 1.00 -0.57 O ATOM 0 H GLY A 76 -14.681 0.970 0.474 1.00 -0.73 H new ATOM 0 HA2 GLY A 76 -16.662 -0.164 0.557 1.00 0.36 H new ATOM 0 HA3 GLY A 76 -17.483 1.125 -0.300 1.00 0.36 H new ATOM 1187 N LYS A 77 -15.367 -0.177 -2.314 1.00 -0.73 N ATOM 1188 CA LYS A 77 -15.113 -0.935 -3.531 1.00 0.36 C ATOM 1189 C LYS A 77 -14.420 -2.255 -3.128 1.00 0.57 C ATOM 1190 O LYS A 77 -13.295 -2.579 -3.500 1.00 -0.57 O ATOM 1191 CB LYS A 77 -14.244 -0.131 -4.504 1.00 0.00 C ATOM 1192 CG LYS A 77 -14.920 1.109 -5.103 1.00 0.00 C ATOM 1193 CD LYS A 77 -15.162 2.222 -4.080 1.00 0.00 C ATOM 1194 CE LYS A 77 -15.118 3.625 -4.667 1.00 0.50 C ATOM 1195 NZ LYS A 77 -13.721 4.086 -4.788 1.00 -0.85 N ATOM 0 H LYS A 77 -14.610 0.457 -2.057 1.00 -0.73 H new ATOM 0 HA LYS A 77 -16.050 -1.147 -4.045 1.00 0.36 H new ATOM 0 HB2 LYS A 77 -13.338 0.182 -3.985 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -13.934 -0.787 -5.318 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -14.300 1.497 -5.911 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -15.873 0.817 -5.544 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -16.134 2.066 -3.612 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -14.413 2.146 -3.292 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.597 3.632 -5.646 1.00 0.50 H new ATOM 0 HE3 LYS A 77 -15.680 4.310 -4.032 1.00 0.50 H new ATOM 0 HZ1 LYS A 77 -13.700 5.125 -4.825 1.00 -0.85 H new ATOM 0 HZ2 LYS A 77 -13.175 3.757 -3.966 1.00 -0.85 H new ATOM 0 HZ3 LYS A 77 -13.302 3.701 -5.659 1.00 -0.85 H new ATOM 1209 N LYS A 78 -15.208 -3.056 -2.326 1.00 -0.73 N ATOM 1210 CA LYS A 78 -14.719 -4.299 -1.744 1.00 0.36 C ATOM 1211 C LYS A 78 -14.882 -5.404 -2.808 1.00 0.57 C ATOM 1212 O LYS A 78 -15.792 -6.237 -2.796 1.00 -0.57 O ATOM 1213 CB LYS A 78 -15.482 -4.595 -0.443 1.00 0.00 C ATOM 1214 CG LYS A 78 -14.727 -5.487 0.555 1.00 0.00 C ATOM 1215 CD LYS A 78 -14.484 -6.935 0.121 1.00 0.00 C ATOM 1216 CE LYS A 78 -15.767 -7.761 0.040 1.00 0.50 C ATOM 1217 NZ LYS A 78 -15.870 -8.393 -1.276 1.00 -0.85 N ATOM 0 H LYS A 78 -16.175 -2.837 -2.087 1.00 -0.73 H new ATOM 0 HA LYS A 78 -13.666 -4.236 -1.471 1.00 0.36 H new ATOM 0 HB2 LYS A 78 -15.722 -3.650 0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -16.429 -5.074 -0.694 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -13.762 -5.026 0.764 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -15.284 -5.499 1.492 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.995 -6.939 -0.853 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.798 -7.408 0.824 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -15.770 -8.522 0.820 1.00 0.50 H new ATOM 0 HE3 LYS A 78 -16.633 -7.122 0.215 1.00 0.50 H new ATOM 0 HZ1 LYS A 78 -16.852 -8.691 -1.442 1.00 -0.85 H new ATOM 0 HZ2 LYS A 78 -15.585 -7.714 -2.010 1.00 -0.85 H new ATOM 0 HZ3 LYS A 78 -15.245 -9.224 -1.312 1.00 -0.85 H new ATOM 1231 N PHE A 79 -13.928 -5.366 -3.797 1.00 -0.73 N ATOM 1232 CA PHE A 79 -13.937 -6.284 -4.921 1.00 0.36 C ATOM 1233 C PHE A 79 -13.424 -7.655 -4.464 1.00 0.57 C ATOM 1234 O PHE A 79 -12.508 -7.787 -3.652 1.00 -0.57 O ATOM 1235 CB PHE A 79 -12.981 -5.822 -6.034 1.00 0.14 C ATOM 1236 CG PHE A 79 -13.521 -4.730 -6.922 1.00 -0.14 C ATOM 1237 CD1 PHE A 79 -14.472 -5.033 -7.906 1.00 -0.15 C ATOM 1238 CD2 PHE A 79 -13.040 -3.421 -6.815 1.00 -0.15 C ATOM 1239 CE1 PHE A 79 -14.929 -4.043 -8.775 1.00 -0.15 C ATOM 1240 CE2 PHE A 79 -13.489 -2.437 -7.696 1.00 -0.15 C ATOM 1241 CZ PHE A 79 -14.432 -2.746 -8.674 1.00 -0.15 C ATOM 0 H PHE A 79 -13.156 -4.699 -3.811 1.00 -0.73 H new ATOM 0 HA PHE A 79 -14.961 -6.325 -5.292 1.00 0.36 H new ATOM 0 HB2 PHE A 79 -12.055 -5.473 -5.576 1.00 0.14 H new ATOM 0 HB3 PHE A 79 -12.726 -6.682 -6.654 1.00 0.14 H new ATOM 0 HD1 PHE A 79 -14.853 -6.040 -7.992 1.00 -0.15 H new ATOM 0 HD2 PHE A 79 -12.320 -3.172 -6.049 1.00 -0.15 H new ATOM 0 HE1 PHE A 79 -15.668 -4.282 -9.526 1.00 -0.15 H new ATOM 0 HE2 PHE A 79 -13.104 -1.431 -7.620 1.00 -0.15 H new ATOM 0 HZ PHE A 79 -14.777 -1.980 -9.353 1.00 -0.15 H new ATOM 1251 N LYS A 80 -13.994 -8.728 -5.129 1.00 -0.73 N ATOM 1252 CA LYS A 80 -13.163 -9.891 -5.382 1.00 0.36 C ATOM 1253 C LYS A 80 -12.455 -9.552 -6.709 1.00 0.57 C ATOM 1254 O LYS A 80 -13.074 -9.102 -7.673 1.00 -0.57 O ATOM 1255 CB LYS A 80 -14.040 -11.119 -5.503 1.00 0.00 C ATOM 1256 CG LYS A 80 -13.197 -12.363 -5.714 1.00 0.00 C ATOM 1257 CD LYS A 80 -14.057 -13.616 -5.682 1.00 0.00 C ATOM 1258 CE LYS A 80 -14.601 -14.028 -4.316 1.00 0.50 C ATOM 1259 NZ LYS A 80 -13.561 -14.063 -3.300 1.00 -0.85 N ATOM 0 H LYS A 80 -14.956 -8.781 -5.463 1.00 -0.73 H new ATOM 0 HA LYS A 80 -12.447 -10.108 -4.590 1.00 0.36 H new ATOM 0 HB2 LYS A 80 -14.643 -11.231 -4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -14.732 -10.997 -6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -12.679 -12.298 -6.671 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.431 -12.423 -4.940 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.901 -13.469 -6.356 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.471 -14.444 -6.081 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.381 -13.330 -4.012 1.00 0.50 H new ATOM 0 HE3 LYS A 80 -15.065 -15.011 -4.393 1.00 0.50 H new ATOM 0 HZ1 LYS A 80 -13.929 -14.522 -2.442 1.00 -0.85 H new ATOM 0 HZ2 LYS A 80 -12.745 -14.600 -3.657 1.00 -0.85 H new ATOM 0 HZ3 LYS A 80 -13.264 -13.092 -3.073 1.00 -0.85 H new ATOM 1273 N ALA A 81 -11.100 -9.715 -6.682 1.00 -0.73 N ATOM 1274 CA ALA A 81 -10.211 -9.278 -7.747 1.00 0.36 C ATOM 1275 C ALA A 81 -9.313 -10.458 -8.139 1.00 0.57 C ATOM 1276 O ALA A 81 -9.075 -11.394 -7.378 1.00 -0.57 O ATOM 1277 CB ALA A 81 -9.354 -8.116 -7.262 1.00 0.00 C ATOM 0 H ALA A 81 -10.612 -10.159 -5.904 1.00 -0.73 H new ATOM 0 HA ALA A 81 -10.792 -8.946 -8.607 1.00 0.36 H new ATOM 0 HB1 ALA A 81 -8.690 -7.794 -8.064 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.998 -7.287 -6.968 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.760 -8.435 -6.406 1.00 0.00 H new ATOM 1283 N THR A 82 -8.767 -10.368 -9.402 1.00 -0.73 N ATOM 1284 CA THR A 82 -7.755 -11.341 -9.842 1.00 0.36 C ATOM 1285 C THR A 82 -6.372 -10.816 -9.428 1.00 0.57 C ATOM 1286 O THR A 82 -6.087 -9.616 -9.467 1.00 -0.57 O ATOM 1287 CB THR A 82 -7.817 -11.516 -11.369 1.00 0.28 C ATOM 1288 OG1 THR A 82 -9.172 -11.740 -11.784 1.00 -0.68 O ATOM 1289 CG2 THR A 82 -6.995 -12.698 -11.867 1.00 0.00 C ATOM 0 H THR A 82 -9.011 -9.656 -10.091 1.00 -0.73 H new ATOM 0 HA THR A 82 -7.943 -12.310 -9.380 1.00 0.36 H new ATOM 0 HB THR A 82 -7.408 -10.598 -11.791 1.00 0.28 H new ATOM 0 HG1 THR A 82 -9.202 -11.849 -12.757 1.00 -0.68 H new ATOM 0 HG21 THR A 82 -7.079 -12.769 -12.951 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.950 -12.556 -11.593 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.367 -13.617 -11.414 1.00 0.00 H new ATOM 1297 N VAL A 83 -5.456 -11.781 -9.077 1.00 -0.73 N ATOM 1298 CA VAL A 83 -4.138 -11.425 -8.556 1.00 0.36 C ATOM 1299 C VAL A 83 -3.133 -12.522 -8.976 1.00 0.57 C ATOM 1300 O VAL A 83 -3.341 -13.733 -8.889 1.00 -0.57 O ATOM 1301 CB VAL A 83 -4.172 -11.121 -7.052 1.00 0.00 C ATOM 1302 CG1 VAL A 83 -4.807 -12.240 -6.233 1.00 0.00 C ATOM 1303 CG2 VAL A 83 -2.789 -10.782 -6.503 1.00 0.00 C ATOM 0 H VAL A 83 -5.625 -12.784 -9.153 1.00 -0.73 H new ATOM 0 HA VAL A 83 -3.797 -10.486 -8.993 1.00 0.36 H new ATOM 0 HB VAL A 83 -4.807 -10.241 -6.949 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.802 -11.967 -5.178 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.834 -12.394 -6.563 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.239 -13.160 -6.372 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.862 -10.574 -5.435 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.117 -11.625 -6.663 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.398 -9.904 -7.018 1.00 0.00 H new ATOM 1313 N GLN A 84 -1.983 -12.033 -9.567 1.00 -0.73 N ATOM 1314 CA GLN A 84 -1.321 -12.809 -10.619 1.00 0.36 C ATOM 1315 C GLN A 84 0.116 -12.271 -10.808 1.00 0.57 C ATOM 1316 O GLN A 84 0.490 -11.187 -10.359 1.00 -0.57 O ATOM 1317 CB GLN A 84 -2.217 -12.750 -11.878 1.00 0.00 C ATOM 1318 CG GLN A 84 -1.716 -13.432 -13.140 1.00 0.06 C ATOM 1319 CD GLN A 84 -1.494 -14.904 -12.901 1.00 0.57 C ATOM 1320 OE1 GLN A 84 -0.506 -15.320 -12.304 1.00 -0.57 O ATOM 1321 NE2 GLN A 84 -2.499 -15.732 -13.288 1.00 -0.80 N ATOM 0 H GLN A 84 -1.535 -11.148 -9.330 1.00 -0.73 H new ATOM 0 HA GLN A 84 -1.204 -13.863 -10.368 1.00 0.36 H new ATOM 0 HB2 GLN A 84 -3.182 -13.187 -11.622 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -2.395 -11.701 -12.113 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.439 -13.295 -13.944 1.00 0.06 H new ATOM 0 HG3 GLN A 84 -0.785 -12.967 -13.465 1.00 0.06 H new ATOM 0 HE21 GLN A 84 -3.308 -15.356 -13.783 1.00 -0.80 H new ATOM 0 HE22 GLN A 84 -2.445 -16.730 -13.084 1.00 -0.80 H new ATOM 1330 N MET A 85 0.953 -13.109 -11.502 1.00 -0.73 N ATOM 1331 CA MET A 85 2.321 -12.762 -11.901 1.00 0.36 C ATOM 1332 C MET A 85 2.291 -12.621 -13.446 1.00 0.57 C ATOM 1333 O MET A 85 2.320 -13.584 -14.212 1.00 -0.57 O ATOM 1334 CB MET A 85 3.270 -13.880 -11.441 1.00 0.00 C ATOM 1335 CG MET A 85 4.574 -13.364 -10.837 1.00 0.23 C ATOM 1336 SD MET A 85 5.789 -12.868 -12.095 1.00 -0.46 S ATOM 1337 CE MET A 85 7.050 -12.202 -10.974 1.00 0.23 C ATOM 0 H MET A 85 0.675 -14.047 -11.792 1.00 -0.73 H new ATOM 0 HA MET A 85 2.676 -11.835 -11.451 1.00 0.36 H new ATOM 0 HB2 MET A 85 2.758 -14.500 -10.705 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.502 -14.521 -12.291 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.358 -12.512 -10.192 1.00 0.23 H new ATOM 0 HG3 MET A 85 5.008 -14.139 -10.206 1.00 0.23 H new ATOM 0 HE1 MET A 85 7.897 -11.838 -11.555 1.00 0.23 H new ATOM 0 HE2 MET A 85 6.626 -11.381 -10.396 1.00 0.23 H new ATOM 0 HE3 MET A 85 7.385 -12.987 -10.296 1.00 0.23 H new ATOM 1347 N GLU A 86 2.119 -11.335 -13.917 1.00 -0.73 N ATOM 1348 CA GLU A 86 2.115 -11.013 -15.353 1.00 0.36 C ATOM 1349 C GLU A 86 3.571 -10.939 -15.913 1.00 0.57 C ATOM 1350 O GLU A 86 3.975 -10.023 -16.626 1.00 -0.57 O ATOM 1351 CB GLU A 86 1.314 -9.715 -15.632 1.00 0.00 C ATOM 1352 CG GLU A 86 -0.142 -9.996 -16.024 1.00 -0.11 C ATOM 1353 CD GLU A 86 -1.070 -8.792 -16.120 1.00 0.91 C ATOM 1354 OE1 GLU A 86 -0.581 -7.622 -16.130 1.00 -0.90 O ATOM 1355 OE2 GLU A 86 -2.313 -9.030 -16.147 1.00 -0.90 O ATOM 0 H GLU A 86 1.984 -10.526 -13.310 1.00 -0.73 H new ATOM 0 HA GLU A 86 1.608 -11.820 -15.883 1.00 0.36 H new ATOM 0 HB2 GLU A 86 1.332 -9.083 -14.744 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.801 -9.156 -16.431 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.143 -10.504 -16.989 1.00 -0.11 H new ATOM 0 HG3 GLU A 86 -0.562 -10.692 -15.297 1.00 -0.11 H new ATOM 1362 N GLY A 87 4.359 -12.055 -15.657 1.00 -0.73 N ATOM 1363 CA GLY A 87 5.504 -12.323 -16.521 1.00 0.36 C ATOM 1364 C GLY A 87 6.743 -11.478 -16.201 1.00 0.57 C ATOM 1365 O GLY A 87 7.362 -10.861 -17.064 1.00 -0.57 O ATOM 0 H GLY A 87 4.209 -12.723 -14.901 1.00 -0.73 H new ATOM 0 HA2 GLY A 87 5.767 -13.378 -16.441 1.00 0.36 H new ATOM 0 HA3 GLY A 87 5.214 -12.145 -17.556 1.00 0.36 H new ATOM 1369 N GLY A 88 7.165 -11.560 -14.890 1.00 -0.73 N ATOM 1370 CA GLY A 88 8.240 -10.712 -14.373 1.00 0.36 C ATOM 1371 C GLY A 88 7.706 -9.498 -13.595 1.00 0.57 C ATOM 1372 O GLY A 88 8.436 -8.714 -12.994 1.00 -0.57 O ATOM 0 H GLY A 88 6.768 -12.202 -14.204 1.00 -0.73 H new ATOM 0 HA2 GLY A 88 8.884 -11.303 -13.722 1.00 0.36 H new ATOM 0 HA3 GLY A 88 8.857 -10.366 -15.202 1.00 0.36 H new ATOM 1376 N LYS A 89 6.344 -9.372 -13.657 1.00 -0.73 N ATOM 1377 CA LYS A 89 5.547 -8.366 -12.994 1.00 0.36 C ATOM 1378 C LYS A 89 4.603 -9.137 -12.054 1.00 0.57 C ATOM 1379 O LYS A 89 3.960 -10.113 -12.443 1.00 -0.57 O ATOM 1380 CB LYS A 89 4.639 -7.626 -13.988 1.00 0.00 C ATOM 1381 CG LYS A 89 5.288 -7.189 -15.308 1.00 0.00 C ATOM 1382 CD LYS A 89 4.213 -6.620 -16.240 1.00 0.00 C ATOM 1383 CE LYS A 89 4.748 -6.035 -17.537 1.00 0.50 C ATOM 1384 NZ LYS A 89 5.264 -4.686 -17.313 1.00 -0.85 N ATOM 0 H LYS A 89 5.773 -10.016 -14.205 1.00 -0.73 H new ATOM 0 HA LYS A 89 6.201 -7.649 -12.498 1.00 0.36 H new ATOM 0 HB2 LYS A 89 3.791 -8.270 -14.221 1.00 0.00 H new ATOM 0 HB3 LYS A 89 4.241 -6.740 -13.493 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.055 -6.438 -15.118 1.00 0.00 H new ATOM 0 HG3 LYS A 89 5.783 -8.037 -15.781 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.502 -7.411 -16.479 1.00 0.00 H new ATOM 0 HD3 LYS A 89 3.661 -5.845 -15.707 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.539 -6.673 -17.932 1.00 0.50 H new ATOM 0 HE3 LYS A 89 3.956 -6.009 -18.285 1.00 0.50 H new ATOM 0 HZ1 LYS A 89 5.198 -4.138 -18.195 1.00 -0.85 H new ATOM 0 HZ2 LYS A 89 4.704 -4.219 -16.572 1.00 -0.85 H new ATOM 0 HZ3 LYS A 89 6.258 -4.740 -17.013 1.00 -0.85 H new ATOM 1398 N VAL A 90 4.461 -8.640 -10.788 1.00 -0.73 N ATOM 1399 CA VAL A 90 3.281 -8.983 -9.986 1.00 0.36 C ATOM 1400 C VAL A 90 2.162 -8.052 -10.497 1.00 0.57 C ATOM 1401 O VAL A 90 2.397 -6.965 -11.030 1.00 -0.57 O ATOM 1402 CB VAL A 90 3.581 -8.767 -8.493 1.00 0.00 C ATOM 1403 CG1 VAL A 90 2.351 -8.833 -7.589 1.00 0.00 C ATOM 1404 CG2 VAL A 90 4.621 -9.776 -8.006 1.00 0.00 C ATOM 0 H VAL A 90 5.131 -8.024 -10.328 1.00 -0.73 H new ATOM 0 HA VAL A 90 2.988 -10.028 -10.085 1.00 0.36 H new ATOM 0 HB VAL A 90 3.966 -7.750 -8.420 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.651 -8.670 -6.554 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.640 -8.062 -7.886 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.884 -9.813 -7.682 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.822 -9.609 -6.948 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.241 -10.788 -8.148 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.543 -9.651 -8.574 1.00 0.00 H new ATOM 1414 N VAL A 91 0.880 -8.492 -10.281 1.00 -0.73 N ATOM 1415 CA VAL A 91 -0.258 -7.711 -10.733 1.00 0.36 C ATOM 1416 C VAL A 91 -1.505 -8.016 -9.879 1.00 0.57 C ATOM 1417 O VAL A 91 -1.785 -9.151 -9.492 1.00 -0.57 O ATOM 1418 CB VAL A 91 -0.528 -7.926 -12.242 1.00 0.00 C ATOM 1419 CG1 VAL A 91 -0.913 -9.361 -12.569 1.00 0.00 C ATOM 1420 CG2 VAL A 91 -1.615 -7.011 -12.784 1.00 0.00 C ATOM 0 H VAL A 91 0.641 -9.363 -9.807 1.00 -0.73 H new ATOM 0 HA VAL A 91 -0.017 -6.656 -10.601 1.00 0.36 H new ATOM 0 HB VAL A 91 0.419 -7.684 -12.724 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.091 -9.455 -13.640 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.105 -10.031 -12.275 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.820 -9.627 -12.026 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.760 -7.208 -13.846 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.547 -7.197 -12.250 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.318 -5.971 -12.645 1.00 0.00 H new ATOM 1430 N VAL A 92 -2.312 -6.917 -9.655 1.00 -0.73 N ATOM 1431 CA VAL A 92 -3.729 -7.064 -9.325 1.00 0.36 C ATOM 1432 C VAL A 92 -4.511 -6.526 -10.542 1.00 0.57 C ATOM 1433 O VAL A 92 -4.197 -5.476 -11.111 1.00 -0.57 O ATOM 1434 CB VAL A 92 -4.104 -6.244 -8.071 1.00 0.00 C ATOM 1435 CG1 VAL A 92 -5.620 -6.157 -7.848 1.00 0.00 C ATOM 1436 CG2 VAL A 92 -3.445 -6.829 -6.824 1.00 0.00 C ATOM 0 H VAL A 92 -1.987 -5.951 -9.702 1.00 -0.73 H new ATOM 0 HA VAL A 92 -3.963 -8.107 -9.110 1.00 0.36 H new ATOM 0 HB VAL A 92 -3.735 -5.234 -8.248 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.823 -5.569 -6.953 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.088 -5.680 -8.709 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.028 -7.160 -7.723 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.723 -6.235 -5.953 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.779 -7.857 -6.684 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.362 -6.813 -6.943 1.00 0.00 H new ATOM 1446 N ASN A 93 -5.597 -7.286 -10.898 1.00 -0.73 N ATOM 1447 CA ASN A 93 -6.466 -6.952 -12.022 1.00 0.36 C ATOM 1448 C ASN A 93 -7.933 -7.045 -11.549 1.00 0.57 C ATOM 1449 O ASN A 93 -8.335 -7.924 -10.785 1.00 -0.57 O ATOM 1450 CB ASN A 93 -6.259 -7.916 -13.187 1.00 0.06 C ATOM 1451 CG ASN A 93 -5.054 -7.574 -14.026 1.00 0.57 C ATOM 1452 OD1 ASN A 93 -4.490 -6.488 -13.993 1.00 -0.57 O ATOM 1453 ND2 ASN A 93 -4.663 -8.579 -14.863 1.00 -0.80 N ATOM 0 H ASN A 93 -5.872 -8.135 -10.404 1.00 -0.73 H new ATOM 0 HA ASN A 93 -6.227 -5.945 -12.364 1.00 0.36 H new ATOM 0 HB2 ASN A 93 -6.149 -8.929 -12.799 1.00 0.06 H new ATOM 0 HB3 ASN A 93 -7.148 -7.911 -13.818 1.00 0.06 H new ATOM 0 HD21 ASN A 93 -3.873 -8.440 -15.493 1.00 -0.80 H new ATOM 0 HD22 ASN A 93 -5.161 -9.469 -14.859 1.00 -0.80 H new ATOM 1460 N SER A 94 -8.763 -6.102 -12.101 1.00 -0.73 N ATOM 1461 CA SER A 94 -10.196 -5.995 -11.803 1.00 0.36 C ATOM 1462 C SER A 94 -10.834 -5.272 -13.021 1.00 0.57 C ATOM 1463 O SER A 94 -10.117 -4.730 -13.874 1.00 -0.57 O ATOM 1464 CB SER A 94 -10.433 -5.249 -10.481 1.00 0.28 C ATOM 1465 OG SER A 94 -11.461 -5.884 -9.721 1.00 -0.68 O ATOM 0 H SER A 94 -8.436 -5.401 -12.766 1.00 -0.73 H new ATOM 0 HA SER A 94 -10.655 -6.974 -11.662 1.00 0.36 H new ATOM 0 HB2 SER A 94 -9.510 -5.222 -9.902 1.00 0.28 H new ATOM 0 HB3 SER A 94 -10.711 -4.215 -10.686 1.00 0.28 H new ATOM 0 HG SER A 94 -11.597 -5.396 -8.882 1.00 -0.68 H new ATOM 1471 N PRO A 95 -12.209 -5.204 -13.145 1.00 -0.66 N ATOM 1472 CA PRO A 95 -12.814 -5.039 -14.481 1.00 0.36 C ATOM 1473 C PRO A 95 -12.455 -3.791 -15.304 1.00 0.57 C ATOM 1474 O PRO A 95 -12.572 -3.765 -16.527 1.00 -0.57 O ATOM 1475 CB PRO A 95 -14.315 -5.050 -14.188 1.00 0.00 C ATOM 1476 CG PRO A 95 -14.429 -6.047 -13.048 1.00 0.00 C ATOM 1477 CD PRO A 95 -13.176 -5.791 -12.220 1.00 0.30 C ATOM 0 HA PRO A 95 -12.428 -5.831 -15.123 1.00 0.36 H new ATOM 0 HB2 PRO A 95 -14.678 -4.063 -13.900 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.894 -5.362 -15.057 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.335 -5.886 -12.464 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.464 -7.073 -13.415 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.385 -5.116 -11.390 1.00 0.30 H new ATOM 0 HD3 PRO A 95 -12.795 -6.717 -11.789 1.00 0.30 H new ATOM 1485 N ASN A 96 -12.109 -2.672 -14.588 1.00 -0.73 N ATOM 1486 CA ASN A 96 -11.635 -1.458 -15.252 1.00 0.36 C ATOM 1487 C ASN A 96 -10.466 -0.839 -14.460 1.00 0.57 C ATOM 1488 O ASN A 96 -10.259 0.370 -14.376 1.00 -0.57 O ATOM 1489 CB ASN A 96 -12.753 -0.476 -15.582 1.00 0.06 C ATOM 1490 CG ASN A 96 -13.505 0.013 -14.367 1.00 0.57 C ATOM 1491 OD1 ASN A 96 -13.156 -0.157 -13.202 1.00 -0.57 O ATOM 1492 ND2 ASN A 96 -14.632 0.724 -14.661 1.00 -0.80 N ATOM 0 H ASN A 96 -12.156 -2.607 -13.571 1.00 -0.73 H new ATOM 0 HA ASN A 96 -11.245 -1.739 -16.230 1.00 0.36 H new ATOM 0 HB2 ASN A 96 -12.330 0.381 -16.106 1.00 0.06 H new ATOM 0 HB3 ASN A 96 -13.455 -0.953 -16.266 1.00 0.06 H new ATOM 0 HD21 ASN A 96 -15.195 1.121 -13.909 1.00 -0.80 H new ATOM 0 HD22 ASN A 96 -14.911 0.858 -15.633 1.00 -0.80 H new ATOM 1499 N TYR A 97 -9.589 -1.790 -13.966 1.00 -0.73 N ATOM 1500 CA TYR A 97 -8.534 -1.459 -13.011 1.00 0.36 C ATOM 1501 C TYR A 97 -7.436 -2.538 -13.129 1.00 0.57 C ATOM 1502 O TYR A 97 -7.548 -3.654 -12.620 1.00 -0.57 O ATOM 1503 CB TYR A 97 -9.120 -1.442 -11.588 1.00 0.14 C ATOM 1504 CG TYR A 97 -8.191 -0.826 -10.572 1.00 -0.14 C ATOM 1505 CD1 TYR A 97 -7.182 -1.589 -9.970 1.00 -0.15 C ATOM 1506 CD2 TYR A 97 -8.312 0.528 -10.242 1.00 -0.15 C ATOM 1507 CE1 TYR A 97 -6.278 -0.990 -9.094 1.00 -0.15 C ATOM 1508 CE2 TYR A 97 -7.414 1.120 -9.356 1.00 -0.15 C ATOM 1509 CZ TYR A 97 -6.383 0.365 -8.815 1.00 0.08 C ATOM 1510 OH TYR A 97 -5.475 0.986 -8.007 1.00 -0.53 O ATOM 0 H TYR A 97 -9.617 -2.775 -14.230 1.00 -0.73 H new ATOM 0 HA TYR A 97 -8.113 -0.476 -13.220 1.00 0.36 H new ATOM 0 HB2 TYR A 97 -10.059 -0.889 -11.595 1.00 0.14 H new ATOM 0 HB3 TYR A 97 -9.354 -2.463 -11.286 1.00 0.14 H new ATOM 0 HD1 TYR A 97 -7.104 -2.644 -10.185 1.00 -0.15 H new ATOM 0 HD2 TYR A 97 -9.106 1.118 -10.676 1.00 -0.15 H new ATOM 0 HE1 TYR A 97 -5.498 -1.579 -8.634 1.00 -0.15 H new ATOM 0 HE2 TYR A 97 -7.520 2.162 -9.092 1.00 -0.15 H new ATOM 0 HH TYR A 97 -4.696 1.256 -8.537 1.00 -0.53 H new ATOM 1520 N HIS A 98 -6.374 -2.202 -13.938 1.00 -0.73 N ATOM 1521 CA HIS A 98 -5.163 -3.045 -14.030 1.00 0.36 C ATOM 1522 C HIS A 98 -4.102 -2.349 -13.153 1.00 0.57 C ATOM 1523 O HIS A 98 -4.009 -1.120 -13.088 1.00 -0.57 O ATOM 1524 CB HIS A 98 -4.684 -3.081 -15.492 1.00 0.17 C ATOM 1525 CG HIS A 98 -3.875 -4.266 -15.920 1.00 -0.07 C ATOM 1526 ND1 HIS A 98 -4.265 -5.046 -17.036 1.00 -0.59 N ATOM 1527 CD2 HIS A 98 -2.663 -4.801 -15.390 1.00 0.20 C ATOM 1528 CE1 HIS A 98 -3.309 -6.055 -17.140 1.00 0.30 C ATOM 1529 NE2 HIS A 98 -2.314 -5.885 -16.172 1.00 -0.15 N ATOM 0 H HIS A 98 -6.347 -1.365 -14.520 1.00 -0.73 H new ATOM 0 HA HIS A 98 -5.348 -4.068 -13.703 1.00 0.36 H new ATOM 0 HB2 HIS A 98 -5.561 -3.021 -16.136 1.00 0.17 H new ATOM 0 HB3 HIS A 98 -4.092 -2.184 -15.675 1.00 0.17 H new ATOM 0 HD2 HIS A 98 -2.119 -4.427 -14.535 1.00 0.20 H new ATOM 0 HE1 HIS A 98 -3.333 -6.855 -17.865 1.00 0.30 H new ATOM 0 HE2 HIS A 98 -1.478 -6.460 -16.063 1.00 -0.15 H new ATOM 1538 N HIS A 99 -3.228 -3.186 -12.493 1.00 -0.73 N ATOM 1539 CA HIS A 99 -2.254 -2.624 -11.551 1.00 0.36 C ATOM 1540 C HIS A 99 -1.058 -3.574 -11.449 1.00 0.57 C ATOM 1541 O HIS A 99 -1.079 -4.542 -10.682 1.00 -0.57 O ATOM 1542 CB HIS A 99 -2.901 -2.435 -10.173 1.00 0.17 C ATOM 1543 CG HIS A 99 -2.003 -1.767 -9.193 1.00 -0.07 C ATOM 1544 ND1 HIS A 99 -2.170 -0.410 -8.868 1.00 -0.59 N ATOM 1545 CD2 HIS A 99 -0.885 -2.286 -8.483 1.00 0.20 C ATOM 1546 CE1 HIS A 99 -1.123 -0.093 -8.014 1.00 0.30 C ATOM 1547 NE2 HIS A 99 -0.354 -1.233 -7.773 1.00 -0.15 N ATOM 0 H HIS A 99 -3.194 -4.199 -12.603 1.00 -0.73 H new ATOM 0 HA HIS A 99 -1.917 -1.651 -11.908 1.00 0.36 H new ATOM 0 HB2 HIS A 99 -3.811 -1.845 -10.283 1.00 0.17 H new ATOM 0 HB3 HIS A 99 -3.197 -3.408 -9.781 1.00 0.17 H new ATOM 0 HD2 HIS A 99 -0.524 -3.304 -8.498 1.00 0.20 H new ATOM 0 HE1 HIS A 99 -0.932 0.886 -7.599 1.00 0.30 H new ATOM 0 HE2 HIS A 99 0.467 -1.278 -7.169 1.00 -0.15 H new ATOM 1556 N THR A 100 -0.026 -3.338 -12.332 1.00 -0.73 N ATOM 1557 CA THR A 100 1.208 -4.132 -12.267 1.00 0.36 C ATOM 1558 C THR A 100 2.211 -3.522 -11.261 1.00 0.57 C ATOM 1559 O THR A 100 2.184 -2.339 -10.919 1.00 -0.57 O ATOM 1560 CB THR A 100 1.915 -4.316 -13.630 1.00 0.28 C ATOM 1561 OG1 THR A 100 2.314 -3.063 -14.187 1.00 -0.68 O ATOM 1562 CG2 THR A 100 1.019 -5.017 -14.643 1.00 0.00 C ATOM 0 H THR A 100 -0.042 -2.627 -13.063 1.00 -0.73 H new ATOM 0 HA THR A 100 0.887 -5.119 -11.935 1.00 0.36 H new ATOM 0 HB THR A 100 2.793 -4.931 -13.431 1.00 0.28 H new ATOM 0 HG1 THR A 100 3.208 -3.149 -14.580 1.00 -0.68 H new ATOM 0 HG21 THR A 100 1.553 -5.127 -15.587 1.00 0.00 H new ATOM 0 HG22 THR A 100 0.744 -6.002 -14.265 1.00 0.00 H new ATOM 0 HG23 THR A 100 0.118 -4.425 -14.803 1.00 0.00 H new ATOM 1570 N ALA A 101 3.160 -4.414 -10.815 1.00 -0.73 N ATOM 1571 CA ALA A 101 4.278 -4.080 -9.945 1.00 0.36 C ATOM 1572 C ALA A 101 5.460 -4.955 -10.383 1.00 0.57 C ATOM 1573 O ALA A 101 5.343 -6.171 -10.546 1.00 -0.57 O ATOM 1574 CB ALA A 101 3.944 -4.352 -8.489 1.00 0.00 C ATOM 0 H ALA A 101 3.142 -5.401 -11.073 1.00 -0.73 H new ATOM 0 HA ALA A 101 4.514 -3.019 -10.027 1.00 0.36 H new ATOM 0 HB1 ALA A 101 4.799 -4.092 -7.865 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.084 -3.751 -8.195 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.709 -5.409 -8.361 1.00 0.00 H new ATOM 1580 N GLU A 102 6.648 -4.305 -10.609 1.00 -0.73 N ATOM 1581 CA GLU A 102 7.659 -4.903 -11.477 1.00 0.36 C ATOM 1582 C GLU A 102 9.054 -4.326 -11.194 1.00 0.57 C ATOM 1583 O GLU A 102 9.243 -3.226 -10.678 1.00 -0.57 O ATOM 1584 CB GLU A 102 7.258 -4.806 -12.949 1.00 0.00 C ATOM 1585 CG GLU A 102 6.837 -3.411 -13.421 1.00 -0.11 C ATOM 1586 CD GLU A 102 6.193 -3.608 -14.768 1.00 0.91 C ATOM 1587 OE1 GLU A 102 6.948 -3.946 -15.728 1.00 -0.90 O ATOM 1588 OE2 GLU A 102 4.932 -3.514 -14.859 1.00 -0.90 O ATOM 0 H GLU A 102 6.901 -3.402 -10.208 1.00 -0.73 H new ATOM 0 HA GLU A 102 7.717 -5.967 -11.246 1.00 0.36 H new ATOM 0 HB2 GLU A 102 8.096 -5.141 -13.560 1.00 0.00 H new ATOM 0 HB3 GLU A 102 6.435 -5.497 -13.131 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.140 -2.955 -12.718 1.00 -0.11 H new ATOM 0 HG3 GLU A 102 7.698 -2.747 -13.493 1.00 -0.11 H new ATOM 1595 N ILE A 103 10.091 -5.173 -11.498 1.00 -0.73 N ATOM 1596 CA ILE A 103 11.454 -4.911 -11.049 1.00 0.36 C ATOM 1597 C ILE A 103 12.305 -4.491 -12.263 1.00 0.57 C ATOM 1598 O ILE A 103 12.257 -5.088 -13.336 1.00 -0.57 O ATOM 1599 CB ILE A 103 12.060 -6.183 -10.402 1.00 0.00 C ATOM 1600 CG1 ILE A 103 11.133 -6.797 -9.329 1.00 0.00 C ATOM 1601 CG2 ILE A 103 13.459 -5.920 -9.831 1.00 0.00 C ATOM 1602 CD1 ILE A 103 11.003 -5.958 -8.063 1.00 0.00 C ATOM 0 H ILE A 103 9.986 -6.026 -12.047 1.00 -0.73 H new ATOM 0 HA ILE A 103 11.444 -4.114 -10.306 1.00 0.36 H new ATOM 0 HB ILE A 103 12.157 -6.916 -11.203 1.00 0.00 H new ATOM 0 HG12 ILE A 103 10.142 -6.941 -9.760 1.00 0.00 H new ATOM 0 HG13 ILE A 103 11.510 -7.784 -9.061 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.849 -6.836 -9.387 1.00 0.00 H new ATOM 0 HG22 ILE A 103 14.123 -5.594 -10.631 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.401 -5.143 -9.069 1.00 0.00 H new ATOM 0 HD11 ILE A 103 10.336 -6.459 -7.362 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.985 -5.835 -7.605 1.00 0.00 H new ATOM 0 HD13 ILE A 103 10.596 -4.979 -8.316 1.00 0.00 H new ATOM 1614 N VAL A 104 13.165 -3.438 -12.027 1.00 -0.73 N ATOM 1615 CA VAL A 104 14.183 -3.047 -13.011 1.00 0.36 C ATOM 1616 C VAL A 104 15.548 -3.090 -12.272 1.00 0.57 C ATOM 1617 O VAL A 104 15.949 -4.096 -11.678 1.00 -0.57 O ATOM 1618 CB VAL A 104 13.790 -1.775 -13.800 1.00 0.00 C ATOM 1619 CG1 VAL A 104 14.753 -1.501 -14.967 1.00 0.00 C ATOM 1620 CG2 VAL A 104 12.379 -1.895 -14.400 1.00 0.00 C ATOM 0 H VAL A 104 13.157 -2.872 -11.178 1.00 -0.73 H new ATOM 0 HA VAL A 104 14.272 -3.741 -13.847 1.00 0.36 H new ATOM 0 HB VAL A 104 13.832 -0.960 -13.078 1.00 0.00 H new ATOM 0 HG11 VAL A 104 14.440 -0.599 -15.493 1.00 0.00 H new ATOM 0 HG12 VAL A 104 15.763 -1.363 -14.581 1.00 0.00 H new ATOM 0 HG13 VAL A 104 14.740 -2.346 -15.655 1.00 0.00 H new ATOM 0 HG21 VAL A 104 12.137 -0.984 -14.947 1.00 0.00 H new ATOM 0 HG22 VAL A 104 12.344 -2.746 -15.080 1.00 0.00 H new ATOM 0 HG23 VAL A 104 11.654 -2.041 -13.599 1.00 0.00 H new ATOM 1630 N ASP A 105 16.261 -1.933 -12.195 1.00 -0.73 N ATOM 1631 CA ASP A 105 17.607 -1.773 -11.614 1.00 0.36 C ATOM 1632 C ASP A 105 17.552 -1.719 -10.062 1.00 0.57 C ATOM 1633 O ASP A 105 18.219 -0.964 -9.351 1.00 -0.57 O ATOM 1634 CB ASP A 105 18.294 -0.527 -12.179 1.00 -0.11 C ATOM 1635 CG ASP A 105 17.472 0.686 -11.789 1.00 0.91 C ATOM 1636 OD1 ASP A 105 16.268 0.688 -12.173 1.00 -0.90 O ATOM 1637 OD2 ASP A 105 18.020 1.537 -11.024 1.00 -0.90 O ATOM 0 H ASP A 105 15.890 -1.053 -12.554 1.00 -0.73 H new ATOM 0 HA ASP A 105 18.196 -2.647 -11.892 1.00 0.36 H new ATOM 0 HB2 ASP A 105 19.307 -0.441 -11.787 1.00 -0.11 H new ATOM 0 HB3 ASP A 105 18.377 -0.597 -13.264 1.00 -0.11 H new ATOM 1642 N GLY A 106 16.671 -2.610 -9.488 1.00 -0.73 N ATOM 1643 CA GLY A 106 16.332 -2.534 -8.085 1.00 0.36 C ATOM 1644 C GLY A 106 15.523 -1.250 -7.797 1.00 0.57 C ATOM 1645 O GLY A 106 15.324 -0.828 -6.658 1.00 -0.57 O ATOM 0 H GLY A 106 16.209 -3.364 -9.996 1.00 -0.73 H new ATOM 0 HA2 GLY A 106 15.751 -3.410 -7.796 1.00 0.36 H new ATOM 0 HA3 GLY A 106 17.241 -2.542 -7.483 1.00 0.36 H new ATOM 1649 N LYS A 107 14.983 -0.662 -8.939 1.00 -0.73 N ATOM 1650 CA LYS A 107 13.699 0.011 -8.847 1.00 0.36 C ATOM 1651 C LYS A 107 12.661 -1.123 -8.745 1.00 0.57 C ATOM 1652 O LYS A 107 12.758 -2.148 -9.422 1.00 -0.57 O ATOM 1653 CB LYS A 107 13.326 0.814 -10.099 1.00 0.00 C ATOM 1654 CG LYS A 107 14.113 2.108 -10.299 1.00 0.00 C ATOM 1655 CD LYS A 107 13.810 2.717 -11.675 1.00 0.00 C ATOM 1656 CE LYS A 107 14.889 3.665 -12.179 1.00 0.50 C ATOM 1657 NZ LYS A 107 14.944 4.883 -11.384 1.00 -0.85 N ATOM 0 H LYS A 107 15.417 -0.659 -9.862 1.00 -0.73 H new ATOM 0 HA LYS A 107 13.733 0.707 -8.009 1.00 0.36 H new ATOM 0 HB2 LYS A 107 13.471 0.180 -10.974 1.00 0.00 H new ATOM 0 HB3 LYS A 107 12.264 1.056 -10.053 1.00 0.00 H new ATOM 0 HG2 LYS A 107 13.857 2.821 -9.515 1.00 0.00 H new ATOM 0 HG3 LYS A 107 15.181 1.908 -10.211 1.00 0.00 H new ATOM 0 HD2 LYS A 107 13.681 1.911 -12.398 1.00 0.00 H new ATOM 0 HD3 LYS A 107 12.863 3.254 -11.624 1.00 0.00 H new ATOM 0 HE2 LYS A 107 15.857 3.165 -12.148 1.00 0.50 H new ATOM 0 HE3 LYS A 107 14.694 3.918 -13.221 1.00 0.50 H new ATOM 0 HZ1 LYS A 107 15.678 5.513 -11.765 1.00 -0.85 H new ATOM 0 HZ2 LYS A 107 14.022 5.363 -11.420 1.00 -0.85 H new ATOM 0 HZ3 LYS A 107 15.171 4.644 -10.398 1.00 -0.85 H new ATOM 1671 N LEU A 108 11.640 -0.858 -7.868 1.00 -0.73 N ATOM 1672 CA LEU A 108 10.327 -1.499 -8.007 1.00 0.36 C ATOM 1673 C LEU A 108 9.542 -0.411 -8.760 1.00 0.57 C ATOM 1674 O LEU A 108 9.235 0.664 -8.241 1.00 -0.57 O ATOM 1675 CB LEU A 108 9.773 -1.797 -6.608 1.00 0.00 C ATOM 1676 CG LEU A 108 8.334 -2.318 -6.439 1.00 0.00 C ATOM 1677 CD1 LEU A 108 7.259 -1.259 -6.669 1.00 0.00 C ATOM 1678 CD2 LEU A 108 8.056 -3.551 -7.283 1.00 0.00 C ATOM 0 H LEU A 108 11.716 -0.216 -7.079 1.00 -0.73 H new ATOM 0 HA LEU A 108 10.304 -2.456 -8.528 1.00 0.36 H new ATOM 0 HB2 LEU A 108 10.437 -2.527 -6.146 1.00 0.00 H new ATOM 0 HB3 LEU A 108 9.855 -0.879 -6.026 1.00 0.00 H new ATOM 0 HG LEU A 108 8.273 -2.602 -5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 108 6.274 -1.705 -6.531 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.392 -0.445 -5.956 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.343 -0.870 -7.684 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.027 -3.876 -7.125 1.00 0.00 H new ATOM 0 HD22 LEU A 108 8.204 -3.312 -8.336 1.00 0.00 H new ATOM 0 HD23 LEU A 108 8.737 -4.351 -6.994 1.00 0.00 H new ATOM 1690 N VAL A 109 9.383 -0.663 -10.099 1.00 -0.73 N ATOM 1691 CA VAL A 109 8.499 0.161 -10.917 1.00 0.36 C ATOM 1692 C VAL A 109 7.085 -0.410 -10.686 1.00 0.57 C ATOM 1693 O VAL A 109 6.868 -1.595 -10.418 1.00 -0.57 O ATOM 1694 CB VAL A 109 8.912 0.101 -12.402 1.00 0.00 C ATOM 1695 CG1 VAL A 109 8.056 1.015 -13.283 1.00 0.00 C ATOM 1696 CG2 VAL A 109 10.392 0.465 -12.578 1.00 0.00 C ATOM 0 H VAL A 109 9.853 -1.416 -10.602 1.00 -0.73 H new ATOM 0 HA VAL A 109 8.546 1.215 -10.644 1.00 0.36 H new ATOM 0 HB VAL A 109 8.750 -0.928 -12.723 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.387 0.936 -14.319 1.00 0.00 H new ATOM 0 HG12 VAL A 109 7.011 0.714 -13.212 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.160 2.046 -12.946 1.00 0.00 H new ATOM 0 HG21 VAL A 109 10.656 0.415 -13.634 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.564 1.476 -12.209 1.00 0.00 H new ATOM 0 HG23 VAL A 109 11.009 -0.237 -12.016 1.00 0.00 H new ATOM 1706 N GLU A 110 6.069 0.494 -10.823 1.00 -0.73 N ATOM 1707 CA GLU A 110 4.688 0.129 -10.568 1.00 0.36 C ATOM 1708 C GLU A 110 3.848 0.971 -11.533 1.00 0.57 C ATOM 1709 O GLU A 110 4.130 2.138 -11.811 1.00 -0.57 O ATOM 1710 CB GLU A 110 4.326 0.400 -9.106 1.00 0.00 C ATOM 1711 CG GLU A 110 3.131 -0.419 -8.651 1.00 -0.11 C ATOM 1712 CD GLU A 110 2.676 -0.186 -7.232 1.00 0.91 C ATOM 1713 OE1 GLU A 110 3.077 0.840 -6.627 1.00 -0.90 O ATOM 1714 OE2 GLU A 110 1.816 -1.021 -6.808 1.00 -0.90 O ATOM 0 H GLU A 110 6.204 1.464 -11.107 1.00 -0.73 H new ATOM 0 HA GLU A 110 4.507 -0.934 -10.730 1.00 0.36 H new ATOM 0 HB2 GLU A 110 5.183 0.172 -8.473 1.00 0.00 H new ATOM 0 HB3 GLU A 110 4.108 1.460 -8.978 1.00 0.00 H new ATOM 0 HG2 GLU A 110 2.296 -0.210 -9.319 1.00 -0.11 H new ATOM 0 HG3 GLU A 110 3.374 -1.475 -8.766 1.00 -0.11 H new ATOM 1721 N VAL A 111 2.762 0.323 -12.069 1.00 -0.73 N ATOM 1722 CA VAL A 111 1.896 0.968 -13.043 1.00 0.36 C ATOM 1723 C VAL A 111 0.460 0.554 -12.690 1.00 0.57 C ATOM 1724 O VAL A 111 0.014 -0.573 -12.901 1.00 -0.57 O ATOM 1725 CB VAL A 111 2.243 0.603 -14.505 1.00 0.00 C ATOM 1726 CG1 VAL A 111 1.271 1.282 -15.480 1.00 0.00 C ATOM 1727 CG2 VAL A 111 3.669 1.013 -14.882 1.00 0.00 C ATOM 0 H VAL A 111 2.492 -0.631 -11.830 1.00 -0.73 H new ATOM 0 HA VAL A 111 2.027 2.049 -12.991 1.00 0.36 H new ATOM 0 HB VAL A 111 2.158 -0.481 -14.578 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.533 1.012 -16.503 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.254 0.953 -15.267 1.00 0.00 H new ATOM 0 HG13 VAL A 111 1.335 2.364 -15.363 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.866 0.736 -15.918 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.780 2.091 -14.768 1.00 0.00 H new ATOM 0 HG23 VAL A 111 4.378 0.504 -14.229 1.00 0.00 H new ATOM 1737 N SER A 112 -0.275 1.541 -12.061 1.00 -0.73 N ATOM 1738 CA SER A 112 -1.728 1.469 -12.081 1.00 0.36 C ATOM 1739 C SER A 112 -2.198 1.979 -13.455 1.00 0.57 C ATOM 1740 O SER A 112 -1.567 2.796 -14.130 1.00 -0.57 O ATOM 1741 CB SER A 112 -2.379 2.328 -10.991 1.00 0.28 C ATOM 1742 OG SER A 112 -3.270 1.548 -10.188 1.00 -0.68 O ATOM 0 H SER A 112 0.119 2.342 -11.567 1.00 -0.73 H new ATOM 0 HA SER A 112 -2.023 0.436 -11.897 1.00 0.36 H new ATOM 0 HB2 SER A 112 -1.607 2.769 -10.361 1.00 0.28 H new ATOM 0 HB3 SER A 112 -2.925 3.152 -11.450 1.00 0.28 H new ATOM 0 HG SER A 112 -2.752 1.012 -9.552 1.00 -0.68 H new ATOM 1748 N THR A 113 -3.407 1.488 -13.869 1.00 -0.73 N ATOM 1749 CA THR A 113 -4.040 1.902 -15.124 1.00 0.36 C ATOM 1750 C THR A 113 -5.544 1.700 -14.918 1.00 0.57 C ATOM 1751 O THR A 113 -6.062 0.592 -14.784 1.00 -0.57 O ATOM 1752 CB THR A 113 -3.511 1.127 -16.344 1.00 0.28 C ATOM 1753 OG1 THR A 113 -2.178 1.548 -16.669 1.00 -0.68 O ATOM 1754 CG2 THR A 113 -4.340 1.368 -17.602 1.00 0.00 C ATOM 0 H THR A 113 -3.948 0.805 -13.338 1.00 -0.73 H new ATOM 0 HA THR A 113 -3.806 2.943 -15.349 1.00 0.36 H new ATOM 0 HB THR A 113 -3.557 0.076 -16.060 1.00 0.28 H new ATOM 0 HG1 THR A 113 -1.832 2.121 -15.953 1.00 -0.68 H new ATOM 0 HG21 THR A 113 -3.920 0.796 -18.430 1.00 0.00 H new ATOM 0 HG22 THR A 113 -5.368 1.051 -17.427 1.00 0.00 H new ATOM 0 HG23 THR A 113 -4.325 2.429 -17.850 1.00 0.00 H new ATOM 1762 N VAL A 114 -6.218 2.894 -14.779 1.00 -0.73 N ATOM 1763 CA VAL A 114 -7.676 2.973 -14.767 1.00 0.36 C ATOM 1764 C VAL A 114 -8.085 3.173 -16.240 1.00 0.57 C ATOM 1765 O VAL A 114 -7.336 3.678 -17.080 1.00 -0.57 O ATOM 1766 CB VAL A 114 -8.096 4.134 -13.834 1.00 0.00 C ATOM 1767 CG1 VAL A 114 -9.245 5.002 -14.322 1.00 0.00 C ATOM 1768 CG2 VAL A 114 -8.445 3.601 -12.443 1.00 0.00 C ATOM 0 H VAL A 114 -5.752 3.796 -14.676 1.00 -0.73 H new ATOM 0 HA VAL A 114 -8.173 2.084 -14.379 1.00 0.36 H new ATOM 0 HB VAL A 114 -7.220 4.783 -13.816 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -9.450 5.781 -13.587 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -8.975 5.462 -15.273 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -10.134 4.386 -14.456 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -8.738 4.430 -11.799 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -9.270 2.893 -12.521 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -7.576 3.100 -12.017 1.00 0.00 H new ATOM 1778 N GLY A 115 -9.383 2.833 -16.532 1.00 -0.73 N ATOM 1779 CA GLY A 115 -9.961 3.174 -17.814 1.00 0.36 C ATOM 1780 C GLY A 115 -10.156 4.694 -17.884 1.00 0.57 C ATOM 1781 O GLY A 115 -11.128 5.259 -17.395 1.00 -0.57 O ATOM 0 H GLY A 115 -10.008 2.337 -15.896 1.00 -0.73 H new ATOM 0 HA2 GLY A 115 -9.310 2.840 -18.622 1.00 0.36 H new ATOM 0 HA3 GLY A 115 -10.916 2.665 -17.944 1.00 0.36 H new ATOM 1785 N GLY A 116 -9.082 5.364 -18.432 1.00 -0.73 N ATOM 1786 CA GLY A 116 -9.072 6.800 -18.608 1.00 0.36 C ATOM 1787 C GLY A 116 -7.952 7.575 -17.896 1.00 0.57 C ATOM 1788 O GLY A 116 -7.944 8.811 -17.909 1.00 -0.57 O ATOM 0 H GLY A 116 -8.230 4.901 -18.748 1.00 -0.73 H new ATOM 0 HA2 GLY A 116 -9.007 7.012 -19.675 1.00 0.36 H new ATOM 0 HA3 GLY A 116 -10.029 7.192 -18.263 1.00 0.36 H new ATOM 1792 N VAL A 117 -6.943 6.842 -17.311 1.00 -0.73 N ATOM 1793 CA VAL A 117 -5.619 7.393 -17.014 1.00 0.36 C ATOM 1794 C VAL A 117 -4.629 6.263 -16.612 1.00 0.57 C ATOM 1795 O VAL A 117 -4.985 5.259 -15.988 1.00 -0.57 O ATOM 1796 CB VAL A 117 -5.686 8.519 -15.963 1.00 0.00 C ATOM 1797 CG1 VAL A 117 -5.396 8.103 -14.532 1.00 0.00 C ATOM 1798 CG2 VAL A 117 -4.794 9.676 -16.394 1.00 0.00 C ATOM 0 H VAL A 117 -7.048 5.863 -17.044 1.00 -0.73 H new ATOM 0 HA VAL A 117 -5.235 7.853 -17.925 1.00 0.36 H new ATOM 0 HB VAL A 117 -6.730 8.831 -15.935 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -5.471 8.972 -13.878 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -6.119 7.350 -14.218 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -4.390 7.688 -14.470 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -4.843 10.470 -15.649 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -3.765 9.328 -16.485 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -5.134 10.059 -17.356 1.00 0.00 H new ATOM 1808 N SER A 118 -3.314 6.497 -16.958 1.00 -0.73 N ATOM 1809 CA SER A 118 -2.216 5.723 -16.375 1.00 0.36 C ATOM 1810 C SER A 118 -1.757 6.397 -15.066 1.00 0.57 C ATOM 1811 O SER A 118 -1.993 7.573 -14.785 1.00 -0.57 O ATOM 1812 CB SER A 118 -1.003 5.598 -17.309 1.00 0.28 C ATOM 1813 OG SER A 118 -0.536 6.884 -17.726 1.00 -0.68 O ATOM 0 H SER A 118 -3.019 7.208 -17.628 1.00 -0.73 H new ATOM 0 HA SER A 118 -2.599 4.718 -16.196 1.00 0.36 H new ATOM 0 HB2 SER A 118 -0.201 5.065 -16.798 1.00 0.28 H new ATOM 0 HB3 SER A 118 -1.273 5.005 -18.183 1.00 0.28 H new ATOM 0 HG SER A 118 0.372 7.028 -17.386 1.00 -0.68 H new ATOM 1819 N TYR A 119 -1.028 5.579 -14.238 1.00 -0.73 N ATOM 1820 CA TYR A 119 -0.454 6.047 -12.979 1.00 0.36 C ATOM 1821 C TYR A 119 0.766 5.169 -12.730 1.00 0.57 C ATOM 1822 O TYR A 119 0.714 4.090 -12.145 1.00 -0.57 O ATOM 1823 CB TYR A 119 -1.487 6.001 -11.860 1.00 0.14 C ATOM 1824 CG TYR A 119 -1.053 6.205 -10.426 1.00 -0.14 C ATOM 1825 CD1 TYR A 119 0.062 6.951 -10.035 1.00 -0.15 C ATOM 1826 CD2 TYR A 119 -1.861 5.641 -9.424 1.00 -0.15 C ATOM 1827 CE1 TYR A 119 0.365 7.097 -8.674 1.00 -0.15 C ATOM 1828 CE2 TYR A 119 -1.569 5.797 -8.074 1.00 -0.15 C ATOM 1829 CZ TYR A 119 -0.451 6.519 -7.708 1.00 0.08 C ATOM 1830 OH TYR A 119 -0.215 6.638 -6.373 1.00 -0.53 O ATOM 0 H TYR A 119 -0.838 4.598 -14.441 1.00 -0.73 H new ATOM 0 HA TYR A 119 -0.149 7.093 -13.020 1.00 0.36 H new ATOM 0 HB2 TYR A 119 -2.240 6.757 -12.082 1.00 0.14 H new ATOM 0 HB3 TYR A 119 -1.982 5.032 -11.915 1.00 0.14 H new ATOM 0 HD1 TYR A 119 0.690 7.415 -10.781 1.00 -0.15 H new ATOM 0 HD2 TYR A 119 -2.732 5.071 -9.711 1.00 -0.15 H new ATOM 0 HE1 TYR A 119 1.236 7.661 -8.375 1.00 -0.15 H new ATOM 0 HE2 TYR A 119 -2.208 5.359 -7.322 1.00 -0.15 H new ATOM 0 HH TYR A 119 0.319 7.442 -6.206 1.00 -0.53 H new ATOM 1840 N GLU A 120 1.882 5.666 -13.355 1.00 -0.73 N ATOM 1841 CA GLU A 120 3.194 5.089 -13.251 1.00 0.36 C ATOM 1842 C GLU A 120 3.857 5.677 -11.990 1.00 0.57 C ATOM 1843 O GLU A 120 3.686 6.829 -11.584 1.00 -0.57 O ATOM 1844 CB GLU A 120 4.082 5.370 -14.476 1.00 0.00 C ATOM 1845 CG GLU A 120 3.356 5.316 -15.827 1.00 -0.11 C ATOM 1846 CD GLU A 120 2.537 6.554 -16.139 1.00 0.91 C ATOM 1847 OE1 GLU A 120 2.368 7.400 -15.207 1.00 -0.90 O ATOM 1848 OE2 GLU A 120 2.100 6.697 -17.314 1.00 -0.90 O ATOM 0 H GLU A 120 1.855 6.496 -13.948 1.00 -0.73 H new ATOM 0 HA GLU A 120 3.088 4.006 -13.195 1.00 0.36 H new ATOM 0 HB2 GLU A 120 4.532 6.356 -14.361 1.00 0.00 H new ATOM 0 HB3 GLU A 120 4.897 4.647 -14.489 1.00 0.00 H new ATOM 0 HG2 GLU A 120 4.092 5.172 -16.618 1.00 -0.11 H new ATOM 0 HG3 GLU A 120 2.699 4.446 -15.840 1.00 -0.11 H new ATOM 1855 N ARG A 121 4.709 4.785 -11.394 1.00 -0.73 N ATOM 1856 CA ARG A 121 5.287 5.011 -10.085 1.00 0.36 C ATOM 1857 C ARG A 121 6.617 4.254 -10.082 1.00 0.57 C ATOM 1858 O ARG A 121 6.726 3.095 -10.483 1.00 -0.57 O ATOM 1859 CB ARG A 121 4.322 4.529 -8.997 1.00 0.00 C ATOM 1860 CG ARG A 121 4.984 4.354 -7.630 1.00 0.00 C ATOM 1861 CD ARG A 121 3.991 4.513 -6.492 1.00 0.33 C ATOM 1862 NE ARG A 121 3.306 3.305 -6.089 1.00 -0.84 N ATOM 1863 CZ ARG A 121 2.483 3.280 -5.031 1.00 1.20 C ATOM 1864 NH1 ARG A 121 2.221 4.349 -4.279 1.00 -0.97 N ATOM 1865 NH2 ARG A 121 1.922 2.119 -4.693 1.00 -0.97 N ATOM 0 H ARG A 121 4.994 3.906 -11.826 1.00 -0.73 H new ATOM 0 HA ARG A 121 5.462 6.066 -9.876 1.00 0.36 H new ATOM 0 HB2 ARG A 121 3.503 5.242 -8.907 1.00 0.00 H new ATOM 0 HB3 ARG A 121 3.885 3.579 -9.305 1.00 0.00 H new ATOM 0 HG2 ARG A 121 5.445 3.368 -7.574 1.00 0.00 H new ATOM 0 HG3 ARG A 121 5.784 5.086 -7.518 1.00 0.00 H new ATOM 0 HD2 ARG A 121 4.518 4.917 -5.627 1.00 0.33 H new ATOM 0 HD3 ARG A 121 3.245 5.252 -6.785 1.00 0.33 H new ATOM 0 HE ARG A 121 3.453 2.449 -6.624 1.00 -0.84 H new ATOM 0 HH11 ARG A 121 2.656 5.245 -4.498 1.00 -0.97 H new ATOM 0 HH12 ARG A 121 1.586 4.271 -3.485 1.00 -0.97 H new ATOM 0 HH21 ARG A 121 2.123 1.279 -5.235 1.00 -0.97 H new ATOM 0 HH22 ARG A 121 1.292 2.071 -3.892 1.00 -0.97 H new ATOM 1879 N VAL A 122 7.676 4.985 -9.613 1.00 -0.73 N ATOM 1880 CA VAL A 122 9.008 4.428 -9.513 1.00 0.36 C ATOM 1881 C VAL A 122 9.404 4.515 -8.026 1.00 0.57 C ATOM 1882 O VAL A 122 9.442 5.574 -7.396 1.00 -0.57 O ATOM 1883 CB VAL A 122 10.017 5.102 -10.469 1.00 0.00 C ATOM 1884 CG1 VAL A 122 9.870 4.538 -11.886 1.00 0.00 C ATOM 1885 CG2 VAL A 122 9.896 6.624 -10.554 1.00 0.00 C ATOM 0 H VAL A 122 7.604 5.955 -9.307 1.00 -0.73 H new ATOM 0 HA VAL A 122 9.020 3.389 -9.841 1.00 0.36 H new ATOM 0 HB VAL A 122 10.994 4.877 -10.042 1.00 0.00 H new ATOM 0 HG11 VAL A 122 10.588 5.023 -12.547 1.00 0.00 H new ATOM 0 HG12 VAL A 122 10.058 3.464 -11.872 1.00 0.00 H new ATOM 0 HG13 VAL A 122 8.859 4.724 -12.249 1.00 0.00 H new ATOM 0 HG21 VAL A 122 10.643 7.010 -11.248 1.00 0.00 H new ATOM 0 HG22 VAL A 122 8.900 6.891 -10.908 1.00 0.00 H new ATOM 0 HG23 VAL A 122 10.059 7.058 -9.567 1.00 0.00 H new ATOM 1895 N SER A 123 9.628 3.297 -7.424 1.00 -0.73 N ATOM 1896 CA SER A 123 10.231 3.171 -6.099 1.00 0.36 C ATOM 1897 C SER A 123 11.632 2.578 -6.271 1.00 0.57 C ATOM 1898 O SER A 123 11.922 1.840 -7.213 1.00 -0.57 O ATOM 1899 CB SER A 123 9.420 2.225 -5.212 1.00 0.28 C ATOM 1900 OG SER A 123 8.041 2.573 -5.192 1.00 -0.68 O ATOM 0 H SER A 123 9.391 2.404 -7.857 1.00 -0.73 H new ATOM 0 HA SER A 123 10.261 4.154 -5.629 1.00 0.36 H new ATOM 0 HB2 SER A 123 9.532 1.203 -5.573 1.00 0.28 H new ATOM 0 HB3 SER A 123 9.816 2.250 -4.197 1.00 0.28 H new ATOM 0 HG SER A 123 7.554 1.946 -4.617 1.00 -0.68 H new ATOM 1906 N LYS A 124 12.518 2.846 -5.260 1.00 -0.73 N ATOM 1907 CA LYS A 124 13.896 2.374 -5.255 1.00 0.36 C ATOM 1908 C LYS A 124 14.159 1.742 -3.876 1.00 0.57 C ATOM 1909 O LYS A 124 13.567 2.082 -2.848 1.00 -0.57 O ATOM 1910 CB LYS A 124 14.869 3.529 -5.531 1.00 0.00 C ATOM 1911 CG LYS A 124 15.789 3.311 -6.739 1.00 0.00 C ATOM 1912 CD LYS A 124 16.984 2.402 -6.442 1.00 0.00 C ATOM 1913 CE LYS A 124 18.002 2.391 -7.583 1.00 0.50 C ATOM 1914 NZ LYS A 124 17.568 1.503 -8.655 1.00 -0.85 N ATOM 0 H LYS A 124 12.273 3.397 -4.437 1.00 -0.73 H new ATOM 0 HA LYS A 124 14.052 1.637 -6.043 1.00 0.36 H new ATOM 0 HB2 LYS A 124 14.294 4.442 -5.688 1.00 0.00 H new ATOM 0 HB3 LYS A 124 15.484 3.688 -4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 124 15.208 2.879 -7.554 1.00 0.00 H new ATOM 0 HG3 LYS A 124 16.155 4.277 -7.085 1.00 0.00 H new ATOM 0 HD2 LYS A 124 17.472 2.735 -5.526 1.00 0.00 H new ATOM 0 HD3 LYS A 124 16.630 1.387 -6.264 1.00 0.00 H new ATOM 0 HE2 LYS A 124 18.131 3.401 -7.971 1.00 0.50 H new ATOM 0 HE3 LYS A 124 18.973 2.068 -7.207 1.00 0.50 H new ATOM 0 HZ1 LYS A 124 17.915 1.864 -9.567 1.00 -0.85 H new ATOM 0 HZ2 LYS A 124 17.950 0.549 -8.492 1.00 -0.85 H new ATOM 0 HZ3 LYS A 124 16.529 1.462 -8.672 1.00 -0.85 H new ATOM 1928 N LYS A 125 15.139 0.771 -3.856 1.00 -0.73 N ATOM 1929 CA LYS A 125 15.539 0.147 -2.600 1.00 0.36 C ATOM 1930 C LYS A 125 16.593 1.051 -1.916 1.00 0.57 C ATOM 1931 O LYS A 125 17.767 0.731 -1.744 1.00 -0.57 O ATOM 1932 CB LYS A 125 16.042 -1.290 -2.797 1.00 0.00 C ATOM 1933 CG LYS A 125 16.259 -1.993 -1.446 1.00 0.00 C ATOM 1934 CD LYS A 125 16.376 -3.515 -1.539 1.00 0.00 C ATOM 1935 CE LYS A 125 15.080 -4.240 -1.881 1.00 0.50 C ATOM 1936 NZ LYS A 125 14.062 -4.028 -0.853 1.00 -0.85 N ATOM 0 H LYS A 125 15.634 0.433 -4.681 1.00 -0.73 H new ATOM 0 HA LYS A 125 14.668 0.057 -1.951 1.00 0.36 H new ATOM 0 HB2 LYS A 125 15.321 -1.852 -3.391 1.00 0.00 H new ATOM 0 HB3 LYS A 125 16.977 -1.277 -3.358 1.00 0.00 H new ATOM 0 HG2 LYS A 125 17.165 -1.598 -0.986 1.00 0.00 H new ATOM 0 HG3 LYS A 125 15.430 -1.744 -0.783 1.00 0.00 H new ATOM 0 HD2 LYS A 125 17.123 -3.762 -2.294 1.00 0.00 H new ATOM 0 HD3 LYS A 125 16.747 -3.895 -0.587 1.00 0.00 H new ATOM 0 HE2 LYS A 125 14.707 -3.887 -2.843 1.00 0.50 H new ATOM 0 HE3 LYS A 125 15.275 -5.307 -1.987 1.00 0.50 H new ATOM 0 HZ1 LYS A 125 13.229 -4.615 -1.063 1.00 -0.85 H new ATOM 0 HZ2 LYS A 125 14.447 -4.293 0.076 1.00 -0.85 H new ATOM 0 HZ3 LYS A 125 13.785 -3.026 -0.840 1.00 -0.85 H new ATOM 1950 N LEU A 126 16.086 2.238 -1.431 1.00 -0.73 N ATOM 1951 CA LEU A 126 16.854 3.114 -0.540 1.00 0.36 C ATOM 1952 C LEU A 126 16.602 2.514 0.852 1.00 0.57 C ATOM 1953 O LEU A 126 15.719 2.863 1.630 1.00 -0.57 O ATOM 1954 CB LEU A 126 16.396 4.566 -0.625 1.00 0.00 C ATOM 1955 CG LEU A 126 16.527 5.173 -2.033 1.00 0.00 C ATOM 1956 CD1 LEU A 126 16.117 6.643 -1.999 1.00 0.00 C ATOM 1957 CD2 LEU A 126 17.935 5.027 -2.612 1.00 0.00 C ATOM 0 H LEU A 126 15.154 2.586 -1.654 1.00 -0.73 H new ATOM 0 HA LEU A 126 17.912 3.152 -0.800 1.00 0.36 H new ATOM 0 HB2 LEU A 126 15.355 4.629 -0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 126 16.980 5.164 0.075 1.00 0.00 H new ATOM 0 HG LEU A 126 15.860 4.616 -2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 126 16.211 7.070 -2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 126 15.083 6.725 -1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 126 16.764 7.185 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 126 17.968 5.473 -3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 126 18.650 5.534 -1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 126 18.193 3.970 -2.680 1.00 0.00 H new ATOM 1969 N ALA A 127 17.289 1.340 1.032 1.00 -0.73 N ATOM 1970 CA ALA A 127 17.059 0.342 2.066 1.00 0.36 C ATOM 1971 C ALA A 127 15.679 -0.324 1.938 1.00 0.66 C ATOM 1972 O ALA A 127 15.482 -1.531 2.023 1.00 -0.57 O ATOM 1973 CB ALA A 127 17.302 0.895 3.453 1.00 0.00 C ATOM 1974 OXT ALA A 127 14.645 0.531 1.753 1.00 -0.65 O ATOM 0 H ALA A 127 18.054 1.075 0.412 1.00 -0.73 H new ATOM 0 HA ALA A 127 17.796 -0.445 1.909 1.00 0.36 H new ATOM 0 HB1 ALA A 127 17.118 0.116 4.193 1.00 0.00 H new ATOM 0 HB2 ALA A 127 18.334 1.236 3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 127 16.629 1.733 3.634 1.00 0.00 H new