USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 836 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 Single : A 1 GLY N :NH3+ 134:sc= 0.00485 (180deg=0) USER MOD Single : A 2 SER OG : rot 31:sc= 0.0554 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 52:sc= 0.618 USER MOD Single : A 8 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000965) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 162:sc= 0.562 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=0.61) USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 13 ASN : amide:sc= -0.0729 X(o=-0.073,f=-0.53) USER MOD Single : A 16 THR OG1 : rot -160:sc= -0.368 USER MOD Single : A 22 ASN : amide:sc= -0.47 X(o=-0.47,f=-0.017) USER MOD Single : A 25 CYS SG : rot 19:sc= 0.905 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.00189 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 162:sc= 0.19 (180deg=0.095) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.0993 X(o=-0.099,f=-0.32) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 39:sc= 1.22 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.0136 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 146:sc= 0.01 (180deg=0) USER MOD Single : A 61 SER OG : rot -80:sc= 0.0322 USER MOD Single : A 67 SER OG : rot 180:sc= -0.185 USER MOD Single : A 75 LYS NZ :NH3+ -176:sc= 0.058 (180deg=0.0544) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.22) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.064 -11.037 -12.813 1.00 0.00 N ATOM 2 CA GLY A 1 -4.939 -10.048 -13.868 1.00 0.00 C ATOM 3 C GLY A 1 -6.271 -9.431 -14.246 1.00 0.00 C ATOM 4 O GLY A 1 -7.284 -10.126 -14.326 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.518 -11.885 -13.066 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.699 -10.643 -11.923 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.065 -11.293 -12.694 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.256 -9.262 -13.545 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.495 -10.514 -14.748 1.00 0.00 H new ATOM 8 N SER A 2 -6.271 -8.122 -14.478 1.00 0.00 N ATOM 9 CA SER A 2 -7.490 -7.411 -14.844 1.00 0.00 C ATOM 10 C SER A 2 -7.176 -6.233 -15.762 1.00 0.00 C ATOM 11 O SER A 2 -6.465 -5.305 -15.379 1.00 0.00 O ATOM 12 CB SER A 2 -8.213 -6.915 -13.590 1.00 0.00 C ATOM 13 OG SER A 2 -9.144 -7.877 -13.125 1.00 0.00 O ATOM 0 H SER A 2 -5.441 -7.533 -14.419 1.00 0.00 H new ATOM 0 HA SER A 2 -8.139 -8.104 -15.379 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.485 -6.701 -12.807 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.730 -5.981 -13.810 1.00 0.00 H new ATOM 0 HG SER A 2 -8.824 -8.776 -13.348 1.00 0.00 H new ATOM 19 N SER A 3 -7.713 -6.280 -16.978 1.00 0.00 N ATOM 20 CA SER A 3 -7.489 -5.220 -17.953 1.00 0.00 C ATOM 21 C SER A 3 -8.463 -5.341 -19.121 1.00 0.00 C ATOM 22 O SER A 3 -9.376 -4.530 -19.270 1.00 0.00 O ATOM 23 CB SER A 3 -6.049 -5.268 -18.468 1.00 0.00 C ATOM 24 OG SER A 3 -5.326 -4.115 -18.071 1.00 0.00 O ATOM 0 H SER A 3 -8.306 -7.041 -17.310 1.00 0.00 H new ATOM 0 HA SER A 3 -7.659 -4.264 -17.459 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.553 -6.161 -18.087 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.051 -5.343 -19.555 1.00 0.00 H new ATOM 0 HG SER A 3 -4.409 -4.171 -18.411 1.00 0.00 H new ATOM 30 N GLY A 4 -8.260 -6.362 -19.949 1.00 0.00 N ATOM 31 CA GLY A 4 -9.127 -6.572 -21.094 1.00 0.00 C ATOM 32 C GLY A 4 -8.351 -6.846 -22.367 1.00 0.00 C ATOM 33 O GLY A 4 -8.794 -7.615 -23.219 1.00 0.00 O ATOM 0 H GLY A 4 -7.511 -7.047 -19.847 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.794 -7.410 -20.892 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.754 -5.692 -21.237 1.00 0.00 H new ATOM 37 N SER A 5 -7.189 -6.213 -22.497 1.00 0.00 N ATOM 38 CA SER A 5 -6.351 -6.388 -23.678 1.00 0.00 C ATOM 39 C SER A 5 -5.013 -7.019 -23.306 1.00 0.00 C ATOM 40 O SER A 5 -4.752 -8.180 -23.620 1.00 0.00 O ATOM 41 CB SER A 5 -6.120 -5.043 -24.369 1.00 0.00 C ATOM 42 OG SER A 5 -6.100 -3.983 -23.428 1.00 0.00 O ATOM 0 H SER A 5 -6.807 -5.575 -21.799 1.00 0.00 H new ATOM 0 HA SER A 5 -6.869 -7.057 -24.365 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.176 -5.068 -24.914 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.907 -4.868 -25.103 1.00 0.00 H new ATOM 0 HG SER A 5 -5.949 -3.134 -23.894 1.00 0.00 H new ATOM 48 N SER A 6 -4.167 -6.243 -22.635 1.00 0.00 N ATOM 49 CA SER A 6 -2.853 -6.723 -22.223 1.00 0.00 C ATOM 50 C SER A 6 -2.143 -5.686 -21.357 1.00 0.00 C ATOM 51 O SER A 6 -1.680 -5.991 -20.258 1.00 0.00 O ATOM 52 CB SER A 6 -1.998 -7.050 -23.449 1.00 0.00 C ATOM 53 OG SER A 6 -1.966 -8.446 -23.691 1.00 0.00 O ATOM 0 H SER A 6 -4.368 -5.280 -22.365 1.00 0.00 H new ATOM 0 HA SER A 6 -2.993 -7.629 -21.634 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.398 -6.535 -24.323 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.984 -6.681 -23.298 1.00 0.00 H new ATOM 0 HG SER A 6 -2.882 -8.793 -23.725 1.00 0.00 H new ATOM 59 N GLY A 7 -2.062 -4.459 -21.861 1.00 0.00 N ATOM 60 CA GLY A 7 -1.408 -3.395 -21.121 1.00 0.00 C ATOM 61 C GLY A 7 0.030 -3.187 -21.554 1.00 0.00 C ATOM 62 O GLY A 7 0.931 -3.893 -21.100 1.00 0.00 O ATOM 0 H GLY A 7 -2.437 -4.182 -22.768 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.963 -2.467 -21.258 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.434 -3.628 -20.056 1.00 0.00 H new ATOM 66 N LYS A 8 0.247 -2.217 -22.435 1.00 0.00 N ATOM 67 CA LYS A 8 1.585 -1.918 -22.931 1.00 0.00 C ATOM 68 C LYS A 8 1.913 -0.439 -22.751 1.00 0.00 C ATOM 69 O LYS A 8 2.521 0.182 -23.623 1.00 0.00 O ATOM 70 CB LYS A 8 1.701 -2.300 -24.408 1.00 0.00 C ATOM 71 CG LYS A 8 1.471 -3.778 -24.673 1.00 0.00 C ATOM 72 CD LYS A 8 2.692 -4.607 -24.310 1.00 0.00 C ATOM 73 CE LYS A 8 2.962 -5.686 -25.347 1.00 0.00 C ATOM 74 NZ LYS A 8 1.854 -6.679 -25.415 1.00 0.00 N ATOM 0 H LYS A 8 -0.488 -1.624 -22.821 1.00 0.00 H new ATOM 0 HA LYS A 8 2.299 -2.504 -22.353 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.979 -1.720 -24.983 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.692 -2.024 -24.769 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.612 -4.122 -24.097 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.229 -3.926 -25.725 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.563 -3.957 -24.225 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.543 -5.068 -23.334 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.096 -5.224 -26.325 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.894 -6.197 -25.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.083 -7.407 -26.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.731 -7.126 -24.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.973 -6.198 -25.687 1.00 0.00 H new ATOM 88 N TYR A 9 1.509 0.118 -21.615 1.00 0.00 N ATOM 89 CA TYR A 9 1.760 1.524 -21.321 1.00 0.00 C ATOM 90 C TYR A 9 2.489 1.681 -19.989 1.00 0.00 C ATOM 91 O TYR A 9 2.174 1.002 -19.011 1.00 0.00 O ATOM 92 CB TYR A 9 0.444 2.303 -21.289 1.00 0.00 C ATOM 93 CG TYR A 9 -0.007 2.784 -22.650 1.00 0.00 C ATOM 94 CD1 TYR A 9 -0.251 1.885 -23.681 1.00 0.00 C ATOM 95 CD2 TYR A 9 -0.188 4.138 -22.905 1.00 0.00 C ATOM 96 CE1 TYR A 9 -0.663 2.320 -24.926 1.00 0.00 C ATOM 97 CE2 TYR A 9 -0.601 4.582 -24.146 1.00 0.00 C ATOM 98 CZ TYR A 9 -0.837 3.670 -25.153 1.00 0.00 C ATOM 99 OH TYR A 9 -1.247 4.108 -26.391 1.00 0.00 O ATOM 0 H TYR A 9 1.006 -0.383 -20.882 1.00 0.00 H new ATOM 0 HA TYR A 9 2.394 1.926 -22.111 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -0.333 1.670 -20.861 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.556 3.162 -20.628 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -0.116 0.828 -23.506 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -0.003 4.855 -22.119 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.848 1.608 -25.717 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -0.738 5.638 -24.327 1.00 0.00 H new ATOM 0 HH TYR A 9 -1.322 5.085 -26.384 1.00 0.00 H new ATOM 109 N THR A 10 3.465 2.582 -19.959 1.00 0.00 N ATOM 110 CA THR A 10 4.240 2.829 -18.750 1.00 0.00 C ATOM 111 C THR A 10 4.855 4.224 -18.767 1.00 0.00 C ATOM 112 O THR A 10 4.473 5.090 -17.979 1.00 0.00 O ATOM 113 CB THR A 10 5.362 1.788 -18.579 1.00 0.00 C ATOM 114 OG1 THR A 10 5.527 1.041 -19.790 1.00 0.00 O ATOM 115 CG2 THR A 10 5.050 0.840 -17.431 1.00 0.00 C ATOM 0 H THR A 10 3.738 3.153 -20.759 1.00 0.00 H new ATOM 0 HA THR A 10 3.550 2.749 -17.910 1.00 0.00 H new ATOM 0 HB THR A 10 6.287 2.318 -18.351 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.401 0.598 -19.785 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.856 0.114 -17.329 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.955 1.408 -16.506 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.115 0.318 -17.634 1.00 0.00 H new ATOM 123 N GLN A 11 5.808 4.435 -19.669 1.00 0.00 N ATOM 124 CA GLN A 11 6.476 5.726 -19.787 1.00 0.00 C ATOM 125 C GLN A 11 6.938 5.971 -21.219 1.00 0.00 C ATOM 126 O GLN A 11 6.358 6.782 -21.939 1.00 0.00 O ATOM 127 CB GLN A 11 7.670 5.796 -18.833 1.00 0.00 C ATOM 128 CG GLN A 11 7.378 6.550 -17.547 1.00 0.00 C ATOM 129 CD GLN A 11 7.486 5.671 -16.317 1.00 0.00 C ATOM 130 OE1 GLN A 11 6.552 4.944 -15.974 1.00 0.00 O ATOM 131 NE2 GLN A 11 8.630 5.731 -15.644 1.00 0.00 N ATOM 0 H GLN A 11 6.135 3.729 -20.329 1.00 0.00 H new ATOM 0 HA GLN A 11 5.760 6.503 -19.518 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.987 4.783 -18.586 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.505 6.276 -19.344 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.073 7.385 -17.454 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.375 6.974 -17.599 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.378 6.347 -15.963 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.760 5.161 -14.808 1.00 0.00 H new ATOM 140 N ASN A 12 7.988 5.264 -21.626 1.00 0.00 N ATOM 141 CA ASN A 12 8.529 5.405 -22.972 1.00 0.00 C ATOM 142 C ASN A 12 8.686 4.043 -23.641 1.00 0.00 C ATOM 143 O ASN A 12 8.192 3.822 -24.746 1.00 0.00 O ATOM 144 CB ASN A 12 9.880 6.123 -22.929 1.00 0.00 C ATOM 145 CG ASN A 12 9.734 7.632 -22.974 1.00 0.00 C ATOM 146 OD1 ASN A 12 8.797 8.193 -22.407 1.00 0.00 O ATOM 147 ND2 ASN A 12 10.664 8.295 -23.651 1.00 0.00 N ATOM 0 H ASN A 12 8.481 4.588 -21.042 1.00 0.00 H new ATOM 0 HA ASN A 12 7.828 5.999 -23.558 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.411 5.839 -22.020 1.00 0.00 H new ATOM 0 HB3 ASN A 12 10.490 5.794 -23.770 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.619 9.312 -23.717 1.00 0.00 H new ATOM 0 HD22 ASN A 12 11.423 7.787 -24.105 1.00 0.00 H new ATOM 154 N ASN A 13 9.378 3.132 -22.963 1.00 0.00 N ATOM 155 CA ASN A 13 9.600 1.791 -23.491 1.00 0.00 C ATOM 156 C ASN A 13 10.244 0.892 -22.440 1.00 0.00 C ATOM 157 O ASN A 13 11.016 -0.009 -22.767 1.00 0.00 O ATOM 158 CB ASN A 13 10.485 1.852 -24.737 1.00 0.00 C ATOM 159 CG ASN A 13 10.185 0.731 -25.714 1.00 0.00 C ATOM 160 OD1 ASN A 13 9.025 0.418 -25.980 1.00 0.00 O ATOM 161 ND2 ASN A 13 11.234 0.121 -26.254 1.00 0.00 N ATOM 0 H ASN A 13 9.794 3.299 -22.047 1.00 0.00 H new ATOM 0 HA ASN A 13 8.632 1.369 -23.761 1.00 0.00 H new ATOM 0 HB2 ASN A 13 10.342 2.812 -25.234 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.532 1.800 -24.439 1.00 0.00 H new ATOM 0 HD21 ASN A 13 11.095 -0.640 -26.918 1.00 0.00 H new ATOM 0 HD22 ASN A 13 12.179 0.414 -26.004 1.00 0.00 H new ATOM 168 N PHE A 14 9.920 1.144 -21.176 1.00 0.00 N ATOM 169 CA PHE A 14 10.467 0.358 -20.075 1.00 0.00 C ATOM 170 C PHE A 14 9.384 -0.503 -19.431 1.00 0.00 C ATOM 171 O PHE A 14 8.217 -0.112 -19.376 1.00 0.00 O ATOM 172 CB PHE A 14 11.094 1.278 -19.026 1.00 0.00 C ATOM 173 CG PHE A 14 12.251 2.081 -19.548 1.00 0.00 C ATOM 174 CD1 PHE A 14 13.255 1.475 -20.286 1.00 0.00 C ATOM 175 CD2 PHE A 14 12.334 3.442 -19.301 1.00 0.00 C ATOM 176 CE1 PHE A 14 14.321 2.212 -20.767 1.00 0.00 C ATOM 177 CE2 PHE A 14 13.398 4.184 -19.780 1.00 0.00 C ATOM 178 CZ PHE A 14 14.392 3.568 -20.515 1.00 0.00 C ATOM 0 H PHE A 14 9.282 1.886 -20.888 1.00 0.00 H new ATOM 0 HA PHE A 14 11.237 -0.299 -20.478 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.331 1.958 -18.648 1.00 0.00 H new ATOM 0 HB3 PHE A 14 11.431 0.677 -18.182 1.00 0.00 H new ATOM 0 HD1 PHE A 14 13.204 0.415 -20.488 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.559 3.929 -18.728 1.00 0.00 H new ATOM 0 HE1 PHE A 14 15.098 1.728 -21.340 1.00 0.00 H new ATOM 0 HE2 PHE A 14 13.452 5.244 -19.580 1.00 0.00 H new ATOM 0 HZ PHE A 14 15.223 4.146 -20.892 1.00 0.00 H new ATOM 188 N ILE A 15 9.779 -1.675 -18.946 1.00 0.00 N ATOM 189 CA ILE A 15 8.843 -2.590 -18.306 1.00 0.00 C ATOM 190 C ILE A 15 9.193 -2.795 -16.836 1.00 0.00 C ATOM 191 O ILE A 15 10.361 -2.959 -16.481 1.00 0.00 O ATOM 192 CB ILE A 15 8.821 -3.959 -19.012 1.00 0.00 C ATOM 193 CG1 ILE A 15 7.826 -4.896 -18.325 1.00 0.00 C ATOM 194 CG2 ILE A 15 10.214 -4.572 -19.022 1.00 0.00 C ATOM 195 CD1 ILE A 15 7.616 -6.200 -19.063 1.00 0.00 C ATOM 0 H ILE A 15 10.741 -2.013 -18.984 1.00 0.00 H new ATOM 0 HA ILE A 15 7.855 -2.135 -18.382 1.00 0.00 H new ATOM 0 HB ILE A 15 8.501 -3.814 -20.044 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.179 -5.111 -17.316 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.868 -4.386 -18.225 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.182 -5.539 -19.524 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.899 -3.910 -19.552 1.00 0.00 H new ATOM 0 HG23 ILE A 15 10.560 -4.707 -17.997 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.899 -6.815 -18.519 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.233 -5.995 -20.063 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.565 -6.732 -19.140 1.00 0.00 H new ATOM 207 N THR A 16 8.173 -2.786 -15.983 1.00 0.00 N ATOM 208 CA THR A 16 8.372 -2.972 -14.551 1.00 0.00 C ATOM 209 C THR A 16 8.990 -4.333 -14.254 1.00 0.00 C ATOM 210 O THR A 16 8.815 -5.285 -15.014 1.00 0.00 O ATOM 211 CB THR A 16 7.046 -2.843 -13.778 1.00 0.00 C ATOM 212 OG1 THR A 16 5.954 -2.719 -14.696 1.00 0.00 O ATOM 213 CG2 THR A 16 7.075 -1.637 -12.852 1.00 0.00 C ATOM 0 H THR A 16 7.200 -2.652 -16.259 1.00 0.00 H new ATOM 0 HA THR A 16 9.053 -2.187 -14.222 1.00 0.00 H new ATOM 0 HB THR A 16 6.914 -3.741 -13.175 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.182 -2.328 -14.236 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.128 -1.566 -12.317 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.889 -1.748 -12.136 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.229 -0.731 -13.439 1.00 0.00 H new ATOM 221 N GLY A 17 9.714 -4.419 -13.142 1.00 0.00 N ATOM 222 CA GLY A 17 10.347 -5.669 -12.764 1.00 0.00 C ATOM 223 C GLY A 17 9.350 -6.801 -12.612 1.00 0.00 C ATOM 224 O GLY A 17 9.376 -7.766 -13.375 1.00 0.00 O ATOM 0 H GLY A 17 9.873 -3.646 -12.496 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.088 -5.940 -13.517 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.883 -5.532 -11.825 1.00 0.00 H new ATOM 228 N VAL A 18 8.470 -6.684 -11.623 1.00 0.00 N ATOM 229 CA VAL A 18 7.460 -7.705 -11.373 1.00 0.00 C ATOM 230 C VAL A 18 6.673 -8.021 -12.640 1.00 0.00 C ATOM 231 O VAL A 18 6.388 -9.183 -12.933 1.00 0.00 O ATOM 232 CB VAL A 18 6.480 -7.268 -10.269 1.00 0.00 C ATOM 233 CG1 VAL A 18 5.430 -8.342 -10.030 1.00 0.00 C ATOM 234 CG2 VAL A 18 7.232 -6.951 -8.985 1.00 0.00 C ATOM 0 H VAL A 18 8.436 -5.892 -10.981 1.00 0.00 H new ATOM 0 HA VAL A 18 7.989 -8.599 -11.044 1.00 0.00 H new ATOM 0 HB VAL A 18 5.970 -6.363 -10.598 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.747 -8.015 -9.246 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.871 -8.516 -10.950 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.919 -9.267 -9.722 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.524 -6.644 -8.215 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.770 -7.838 -8.650 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.941 -6.144 -9.169 1.00 0.00 H new ATOM 244 N ARG A 19 6.324 -6.980 -13.388 1.00 0.00 N ATOM 245 CA ARG A 19 5.568 -7.146 -14.624 1.00 0.00 C ATOM 246 C ARG A 19 6.281 -8.106 -15.572 1.00 0.00 C ATOM 247 O ARG A 19 5.647 -8.769 -16.392 1.00 0.00 O ATOM 248 CB ARG A 19 5.365 -5.793 -15.308 1.00 0.00 C ATOM 249 CG ARG A 19 4.009 -5.165 -15.027 1.00 0.00 C ATOM 250 CD ARG A 19 3.275 -4.826 -16.314 1.00 0.00 C ATOM 251 NE ARG A 19 2.133 -3.947 -16.078 1.00 0.00 N ATOM 252 CZ ARG A 19 0.977 -4.363 -15.573 1.00 0.00 C ATOM 253 NH1 ARG A 19 0.810 -5.638 -15.253 1.00 0.00 N ATOM 254 NH2 ARG A 19 -0.015 -3.502 -15.386 1.00 0.00 N ATOM 0 H ARG A 19 6.552 -6.012 -13.160 1.00 0.00 H new ATOM 0 HA ARG A 19 4.595 -7.567 -14.372 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.148 -5.109 -14.980 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.482 -5.919 -16.384 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.405 -5.851 -14.432 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.142 -4.260 -14.433 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.964 -4.346 -17.009 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.933 -5.745 -16.789 1.00 0.00 H new ATOM 0 HE ARG A 19 2.228 -2.959 -16.314 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.570 -6.303 -15.394 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.079 -5.954 -14.865 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.110 -2.520 -15.630 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.902 -3.823 -14.998 1.00 0.00 H new ATOM 268 N ALA A 20 7.603 -8.173 -15.454 1.00 0.00 N ATOM 269 CA ALA A 20 8.401 -9.053 -16.299 1.00 0.00 C ATOM 270 C ALA A 20 8.581 -10.422 -15.652 1.00 0.00 C ATOM 271 O ALA A 20 8.431 -11.453 -16.307 1.00 0.00 O ATOM 272 CB ALA A 20 9.755 -8.421 -16.587 1.00 0.00 C ATOM 0 H ALA A 20 8.144 -7.629 -14.782 1.00 0.00 H new ATOM 0 HA ALA A 20 7.869 -9.193 -17.240 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.341 -9.088 -17.219 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.611 -7.470 -17.099 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.284 -8.252 -15.649 1.00 0.00 H new ATOM 278 N ILE A 21 8.903 -10.424 -14.362 1.00 0.00 N ATOM 279 CA ILE A 21 9.103 -11.667 -13.627 1.00 0.00 C ATOM 280 C ILE A 21 7.836 -12.516 -13.631 1.00 0.00 C ATOM 281 O ILE A 21 7.897 -13.738 -13.498 1.00 0.00 O ATOM 282 CB ILE A 21 9.523 -11.398 -12.170 1.00 0.00 C ATOM 283 CG1 ILE A 21 10.810 -10.570 -12.132 1.00 0.00 C ATOM 284 CG2 ILE A 21 9.708 -12.709 -11.422 1.00 0.00 C ATOM 285 CD1 ILE A 21 10.758 -9.417 -11.155 1.00 0.00 C ATOM 0 H ILE A 21 9.031 -9.579 -13.805 1.00 0.00 H new ATOM 0 HA ILE A 21 9.903 -12.208 -14.132 1.00 0.00 H new ATOM 0 HB ILE A 21 8.733 -10.830 -11.678 1.00 0.00 H new ATOM 0 HG12 ILE A 21 11.644 -11.221 -11.869 1.00 0.00 H new ATOM 0 HG13 ILE A 21 11.012 -10.181 -13.130 1.00 0.00 H new ATOM 0 HG21 ILE A 21 10.005 -12.502 -10.394 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.770 -13.265 -11.424 1.00 0.00 H new ATOM 0 HG23 ILE A 21 10.482 -13.301 -11.911 1.00 0.00 H new ATOM 0 HD11 ILE A 21 11.703 -8.875 -11.181 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.946 -8.744 -11.429 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.587 -9.800 -10.149 1.00 0.00 H new ATOM 297 N ASN A 22 6.691 -11.861 -13.786 1.00 0.00 N ATOM 298 CA ASN A 22 5.409 -12.557 -13.808 1.00 0.00 C ATOM 299 C ASN A 22 5.047 -12.985 -15.227 1.00 0.00 C ATOM 300 O ASN A 22 4.708 -14.143 -15.468 1.00 0.00 O ATOM 301 CB ASN A 22 4.308 -11.660 -13.237 1.00 0.00 C ATOM 302 CG ASN A 22 4.115 -11.859 -11.747 1.00 0.00 C ATOM 303 OD1 ASN A 22 3.174 -12.526 -11.315 1.00 0.00 O ATOM 304 ND2 ASN A 22 5.007 -11.280 -10.952 1.00 0.00 N ATOM 0 H ASN A 22 6.624 -10.849 -13.898 1.00 0.00 H new ATOM 0 HA ASN A 22 5.498 -13.450 -13.190 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.556 -10.617 -13.432 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.370 -11.867 -13.753 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.928 -11.379 -9.940 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.771 -10.736 -11.353 1.00 0.00 H new ATOM 311 N GLU A 23 5.123 -12.043 -16.161 1.00 0.00 N ATOM 312 CA GLU A 23 4.804 -12.323 -17.556 1.00 0.00 C ATOM 313 C GLU A 23 5.782 -13.335 -18.146 1.00 0.00 C ATOM 314 O GLU A 23 5.385 -14.413 -18.590 1.00 0.00 O ATOM 315 CB GLU A 23 4.830 -11.033 -18.378 1.00 0.00 C ATOM 316 CG GLU A 23 3.646 -10.119 -18.113 1.00 0.00 C ATOM 317 CD GLU A 23 2.394 -10.559 -18.847 1.00 0.00 C ATOM 318 OE1 GLU A 23 2.222 -10.161 -20.018 1.00 0.00 O ATOM 319 OE2 GLU A 23 1.585 -11.300 -18.250 1.00 0.00 O ATOM 0 H GLU A 23 5.403 -11.079 -15.977 1.00 0.00 H new ATOM 0 HA GLU A 23 3.801 -12.749 -17.593 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.751 -10.492 -18.161 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.852 -11.288 -19.438 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.445 -10.093 -17.042 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.901 -9.103 -18.414 1.00 0.00 H new ATOM 326 N PHE A 24 7.063 -12.980 -18.146 1.00 0.00 N ATOM 327 CA PHE A 24 8.098 -13.855 -18.682 1.00 0.00 C ATOM 328 C PHE A 24 8.301 -15.072 -17.784 1.00 0.00 C ATOM 329 O PHE A 24 8.901 -16.067 -18.194 1.00 0.00 O ATOM 330 CB PHE A 24 9.416 -13.091 -18.829 1.00 0.00 C ATOM 331 CG PHE A 24 9.364 -12.000 -19.860 1.00 0.00 C ATOM 332 CD1 PHE A 24 8.968 -10.719 -19.513 1.00 0.00 C ATOM 333 CD2 PHE A 24 9.713 -12.256 -21.176 1.00 0.00 C ATOM 334 CE1 PHE A 24 8.919 -9.713 -20.460 1.00 0.00 C ATOM 335 CE2 PHE A 24 9.666 -11.255 -22.128 1.00 0.00 C ATOM 336 CZ PHE A 24 9.270 -9.981 -21.769 1.00 0.00 C ATOM 0 H PHE A 24 7.408 -12.093 -17.781 1.00 0.00 H new ATOM 0 HA PHE A 24 7.774 -14.200 -19.664 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.685 -12.657 -17.866 1.00 0.00 H new ATOM 0 HB3 PHE A 24 10.206 -13.793 -19.094 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.694 -10.503 -18.491 1.00 0.00 H new ATOM 0 HD2 PHE A 24 10.026 -13.250 -21.461 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.607 -8.719 -20.177 1.00 0.00 H new ATOM 0 HE2 PHE A 24 9.938 -11.468 -23.151 1.00 0.00 H new ATOM 0 HZ PHE A 24 9.235 -9.196 -22.510 1.00 0.00 H new ATOM 346 N CYS A 25 7.797 -14.985 -16.558 1.00 0.00 N ATOM 347 CA CYS A 25 7.923 -16.078 -15.600 1.00 0.00 C ATOM 348 C CYS A 25 9.388 -16.427 -15.363 1.00 0.00 C ATOM 349 O CYS A 25 9.832 -17.534 -15.670 1.00 0.00 O ATOM 350 CB CYS A 25 7.167 -17.311 -16.099 1.00 0.00 C ATOM 351 SG CYS A 25 5.375 -17.220 -15.871 1.00 0.00 S ATOM 0 H CYS A 25 7.297 -14.169 -16.204 1.00 0.00 H new ATOM 0 HA CYS A 25 7.488 -15.752 -14.655 1.00 0.00 H new ATOM 0 HB2 CYS A 25 7.381 -17.451 -17.159 1.00 0.00 H new ATOM 0 HB3 CYS A 25 7.545 -18.191 -15.578 1.00 0.00 H new ATOM 0 HG CYS A 25 5.022 -15.981 -15.696 1.00 0.00 H new ATOM 357 N LEU A 26 10.136 -15.475 -14.816 1.00 0.00 N ATOM 358 CA LEU A 26 11.554 -15.681 -14.538 1.00 0.00 C ATOM 359 C LEU A 26 11.829 -15.625 -13.039 1.00 0.00 C ATOM 360 O LEU A 26 10.903 -15.587 -12.228 1.00 0.00 O ATOM 361 CB LEU A 26 12.393 -14.627 -15.262 1.00 0.00 C ATOM 362 CG LEU A 26 12.005 -14.340 -16.713 1.00 0.00 C ATOM 363 CD1 LEU A 26 12.642 -13.044 -17.190 1.00 0.00 C ATOM 364 CD2 LEU A 26 12.410 -15.498 -17.613 1.00 0.00 C ATOM 0 H LEU A 26 9.785 -14.553 -14.556 1.00 0.00 H new ATOM 0 HA LEU A 26 11.831 -16.670 -14.902 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.333 -13.695 -14.700 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.435 -14.945 -15.242 1.00 0.00 H new ATOM 0 HG LEU A 26 10.922 -14.229 -16.763 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.354 -12.856 -18.225 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.302 -12.219 -16.564 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.727 -13.126 -17.124 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.126 -15.276 -18.642 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.489 -15.642 -17.558 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.906 -16.407 -17.285 1.00 0.00 H new ATOM 376 N LYS A 27 13.107 -15.617 -12.678 1.00 0.00 N ATOM 377 CA LYS A 27 13.506 -15.561 -11.276 1.00 0.00 C ATOM 378 C LYS A 27 13.685 -14.118 -10.818 1.00 0.00 C ATOM 379 O LYS A 27 14.077 -13.252 -11.600 1.00 0.00 O ATOM 380 CB LYS A 27 14.807 -16.340 -11.064 1.00 0.00 C ATOM 381 CG LYS A 27 14.727 -17.790 -11.508 1.00 0.00 C ATOM 382 CD LYS A 27 15.988 -18.555 -11.143 1.00 0.00 C ATOM 383 CE LYS A 27 15.995 -19.946 -11.758 1.00 0.00 C ATOM 384 NZ LYS A 27 16.697 -20.933 -10.892 1.00 0.00 N ATOM 0 H LYS A 27 13.885 -15.649 -13.337 1.00 0.00 H new ATOM 0 HA LYS A 27 12.715 -16.017 -10.680 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.610 -15.845 -11.610 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.073 -16.306 -10.007 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.864 -18.267 -11.043 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.573 -17.833 -12.586 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.862 -18.001 -11.484 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.065 -18.635 -10.059 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.969 -20.274 -11.925 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.480 -19.909 -12.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.680 -21.868 -11.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.683 -20.634 -10.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.219 -20.988 -9.970 1.00 0.00 H new ATOM 398 N SER A 28 13.395 -13.865 -9.545 1.00 0.00 N ATOM 399 CA SER A 28 13.522 -12.525 -8.984 1.00 0.00 C ATOM 400 C SER A 28 14.972 -12.054 -9.026 1.00 0.00 C ATOM 401 O SER A 28 15.245 -10.855 -9.091 1.00 0.00 O ATOM 402 CB SER A 28 13.007 -12.503 -7.543 1.00 0.00 C ATOM 403 OG SER A 28 11.782 -13.204 -7.428 1.00 0.00 O ATOM 0 H SER A 28 13.071 -14.570 -8.883 1.00 0.00 H new ATOM 0 HA SER A 28 12.921 -11.845 -9.588 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.749 -12.950 -6.882 1.00 0.00 H new ATOM 0 HB3 SER A 28 12.871 -11.472 -7.218 1.00 0.00 H new ATOM 0 HG SER A 28 11.475 -13.176 -6.498 1.00 0.00 H new ATOM 409 N SER A 29 15.899 -13.006 -8.987 1.00 0.00 N ATOM 410 CA SER A 29 17.322 -12.689 -9.017 1.00 0.00 C ATOM 411 C SER A 29 17.801 -12.474 -10.449 1.00 0.00 C ATOM 412 O SER A 29 18.734 -11.710 -10.695 1.00 0.00 O ATOM 413 CB SER A 29 18.129 -13.810 -8.359 1.00 0.00 C ATOM 414 OG SER A 29 17.654 -14.081 -7.052 1.00 0.00 O ATOM 0 H SER A 29 15.690 -14.003 -8.935 1.00 0.00 H new ATOM 0 HA SER A 29 17.475 -11.765 -8.459 1.00 0.00 H new ATOM 0 HB2 SER A 29 18.066 -14.713 -8.967 1.00 0.00 H new ATOM 0 HB3 SER A 29 19.181 -13.528 -8.316 1.00 0.00 H new ATOM 0 HG SER A 29 18.185 -14.802 -6.654 1.00 0.00 H new ATOM 420 N ASP A 30 17.155 -13.154 -11.390 1.00 0.00 N ATOM 421 CA ASP A 30 17.513 -13.038 -12.799 1.00 0.00 C ATOM 422 C ASP A 30 17.440 -11.586 -13.261 1.00 0.00 C ATOM 423 O ASP A 30 18.370 -11.074 -13.886 1.00 0.00 O ATOM 424 CB ASP A 30 16.589 -13.905 -13.655 1.00 0.00 C ATOM 425 CG ASP A 30 17.058 -15.345 -13.737 1.00 0.00 C ATOM 426 OD1 ASP A 30 17.646 -15.835 -12.751 1.00 0.00 O ATOM 427 OD2 ASP A 30 16.836 -15.981 -14.788 1.00 0.00 O ATOM 0 H ASP A 30 16.381 -13.791 -11.203 1.00 0.00 H new ATOM 0 HA ASP A 30 18.539 -13.387 -12.917 1.00 0.00 H new ATOM 0 HB2 ASP A 30 15.582 -13.877 -13.240 1.00 0.00 H new ATOM 0 HB3 ASP A 30 16.531 -13.487 -14.660 1.00 0.00 H new ATOM 432 N LEU A 31 16.329 -10.927 -12.950 1.00 0.00 N ATOM 433 CA LEU A 31 16.134 -9.533 -13.334 1.00 0.00 C ATOM 434 C LEU A 31 17.268 -8.659 -12.809 1.00 0.00 C ATOM 435 O LEU A 31 17.793 -7.810 -13.527 1.00 0.00 O ATOM 436 CB LEU A 31 14.793 -9.021 -12.804 1.00 0.00 C ATOM 437 CG LEU A 31 13.576 -9.286 -13.690 1.00 0.00 C ATOM 438 CD1 LEU A 31 13.637 -8.437 -14.950 1.00 0.00 C ATOM 439 CD2 LEU A 31 13.485 -10.763 -14.044 1.00 0.00 C ATOM 0 H LEU A 31 15.550 -11.335 -12.433 1.00 0.00 H new ATOM 0 HA LEU A 31 16.133 -9.479 -14.423 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.613 -9.474 -11.829 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.875 -7.946 -12.645 1.00 0.00 H new ATOM 0 HG LEU A 31 12.680 -9.010 -13.134 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.762 -8.640 -15.568 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.652 -7.382 -14.677 1.00 0.00 H new ATOM 0 HD13 LEU A 31 14.540 -8.680 -15.509 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.613 -10.933 -14.675 1.00 0.00 H new ATOM 0 HD22 LEU A 31 14.385 -11.065 -14.580 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.392 -11.351 -13.131 1.00 0.00 H new ATOM 451 N GLU A 32 17.643 -8.876 -11.552 1.00 0.00 N ATOM 452 CA GLU A 32 18.717 -8.109 -10.932 1.00 0.00 C ATOM 453 C GLU A 32 19.993 -8.189 -11.764 1.00 0.00 C ATOM 454 O GLU A 32 20.805 -7.265 -11.762 1.00 0.00 O ATOM 455 CB GLU A 32 18.986 -8.620 -9.515 1.00 0.00 C ATOM 456 CG GLU A 32 17.751 -8.639 -8.629 1.00 0.00 C ATOM 457 CD GLU A 32 18.065 -8.308 -7.183 1.00 0.00 C ATOM 458 OE1 GLU A 32 18.539 -7.182 -6.922 1.00 0.00 O ATOM 459 OE2 GLU A 32 17.838 -9.174 -6.313 1.00 0.00 O ATOM 0 H GLU A 32 17.219 -9.576 -10.944 1.00 0.00 H new ATOM 0 HA GLU A 32 18.402 -7.067 -10.881 1.00 0.00 H new ATOM 0 HB2 GLU A 32 19.396 -9.628 -9.573 1.00 0.00 H new ATOM 0 HB3 GLU A 32 19.747 -7.993 -9.050 1.00 0.00 H new ATOM 0 HG2 GLU A 32 17.023 -7.924 -9.012 1.00 0.00 H new ATOM 0 HG3 GLU A 32 17.287 -9.624 -8.680 1.00 0.00 H new ATOM 466 N GLN A 33 20.161 -9.300 -12.474 1.00 0.00 N ATOM 467 CA GLN A 33 21.339 -9.501 -13.309 1.00 0.00 C ATOM 468 C GLN A 33 21.356 -8.515 -14.472 1.00 0.00 C ATOM 469 O GLN A 33 22.416 -8.042 -14.884 1.00 0.00 O ATOM 470 CB GLN A 33 21.374 -10.935 -13.841 1.00 0.00 C ATOM 471 CG GLN A 33 22.779 -11.448 -14.114 1.00 0.00 C ATOM 472 CD GLN A 33 22.799 -12.911 -14.511 1.00 0.00 C ATOM 473 OE1 GLN A 33 22.833 -13.798 -13.657 1.00 0.00 O ATOM 474 NE2 GLN A 33 22.777 -13.172 -15.813 1.00 0.00 N ATOM 0 H GLN A 33 19.497 -10.074 -12.488 1.00 0.00 H new ATOM 0 HA GLN A 33 22.223 -9.327 -12.695 1.00 0.00 H new ATOM 0 HB2 GLN A 33 20.889 -11.593 -13.120 1.00 0.00 H new ATOM 0 HB3 GLN A 33 20.792 -10.987 -14.761 1.00 0.00 H new ATOM 0 HG2 GLN A 33 23.231 -10.854 -14.908 1.00 0.00 H new ATOM 0 HG3 GLN A 33 23.392 -11.309 -13.224 1.00 0.00 H new ATOM 0 HE21 GLN A 33 22.749 -12.406 -16.486 1.00 0.00 H new ATOM 0 HE22 GLN A 33 22.788 -14.138 -16.140 1.00 0.00 H new ATOM 483 N LEU A 34 20.176 -8.208 -14.999 1.00 0.00 N ATOM 484 CA LEU A 34 20.054 -7.278 -16.116 1.00 0.00 C ATOM 485 C LEU A 34 20.492 -5.875 -15.706 1.00 0.00 C ATOM 486 O LEU A 34 20.895 -5.649 -14.565 1.00 0.00 O ATOM 487 CB LEU A 34 18.612 -7.246 -16.625 1.00 0.00 C ATOM 488 CG LEU A 34 18.031 -8.585 -17.079 1.00 0.00 C ATOM 489 CD1 LEU A 34 16.511 -8.542 -17.062 1.00 0.00 C ATOM 490 CD2 LEU A 34 18.540 -8.943 -18.468 1.00 0.00 C ATOM 0 H LEU A 34 19.289 -8.590 -14.670 1.00 0.00 H new ATOM 0 HA LEU A 34 20.707 -7.624 -16.917 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.977 -6.847 -15.834 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.558 -6.547 -17.460 1.00 0.00 H new ATOM 0 HG LEU A 34 18.360 -9.356 -16.382 1.00 0.00 H new ATOM 0 HD11 LEU A 34 16.116 -9.504 -17.388 1.00 0.00 H new ATOM 0 HD12 LEU A 34 16.164 -8.332 -16.050 1.00 0.00 H new ATOM 0 HD13 LEU A 34 16.162 -7.759 -17.735 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.116 -9.899 -18.775 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.241 -8.169 -19.175 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.627 -9.017 -18.449 1.00 0.00 H new ATOM 502 N ARG A 35 20.407 -4.937 -16.643 1.00 0.00 N ATOM 503 CA ARG A 35 20.793 -3.556 -16.379 1.00 0.00 C ATOM 504 C ARG A 35 19.721 -2.838 -15.565 1.00 0.00 C ATOM 505 O ARG A 35 18.566 -2.748 -15.981 1.00 0.00 O ATOM 506 CB ARG A 35 21.036 -2.811 -17.693 1.00 0.00 C ATOM 507 CG ARG A 35 21.367 -1.340 -17.507 1.00 0.00 C ATOM 508 CD ARG A 35 21.702 -0.672 -18.832 1.00 0.00 C ATOM 509 NE ARG A 35 22.935 0.106 -18.756 1.00 0.00 N ATOM 510 CZ ARG A 35 23.280 1.025 -19.651 1.00 0.00 C ATOM 511 NH1 ARG A 35 22.489 1.279 -20.684 1.00 0.00 N ATOM 512 NH2 ARG A 35 24.419 1.692 -19.514 1.00 0.00 N ATOM 0 H ARG A 35 20.074 -5.108 -17.592 1.00 0.00 H new ATOM 0 HA ARG A 35 21.717 -3.568 -15.801 1.00 0.00 H new ATOM 0 HB2 ARG A 35 21.853 -3.294 -18.229 1.00 0.00 H new ATOM 0 HB3 ARG A 35 20.149 -2.899 -18.320 1.00 0.00 H new ATOM 0 HG2 ARG A 35 20.521 -0.831 -17.046 1.00 0.00 H new ATOM 0 HG3 ARG A 35 22.211 -1.239 -16.824 1.00 0.00 H new ATOM 0 HD2 ARG A 35 21.800 -1.432 -19.607 1.00 0.00 H new ATOM 0 HD3 ARG A 35 20.880 -0.020 -19.128 1.00 0.00 H new ATOM 0 HE ARG A 35 23.566 -0.065 -17.973 1.00 0.00 H new ATOM 0 HH11 ARG A 35 21.613 0.768 -20.793 1.00 0.00 H new ATOM 0 HH12 ARG A 35 22.756 1.985 -21.370 1.00 0.00 H new ATOM 0 HH21 ARG A 35 25.031 1.499 -18.721 1.00 0.00 H new ATOM 0 HH22 ARG A 35 24.683 2.397 -20.202 1.00 0.00 H new ATOM 526 N LYS A 36 20.111 -2.328 -14.401 1.00 0.00 N ATOM 527 CA LYS A 36 19.185 -1.617 -13.528 1.00 0.00 C ATOM 528 C LYS A 36 18.883 -0.225 -14.073 1.00 0.00 C ATOM 529 O LYS A 36 19.664 0.708 -13.884 1.00 0.00 O ATOM 530 CB LYS A 36 19.764 -1.509 -12.116 1.00 0.00 C ATOM 531 CG LYS A 36 20.035 -2.855 -11.465 1.00 0.00 C ATOM 532 CD LYS A 36 18.789 -3.414 -10.800 1.00 0.00 C ATOM 533 CE LYS A 36 19.137 -4.263 -9.587 1.00 0.00 C ATOM 534 NZ LYS A 36 17.921 -4.694 -8.844 1.00 0.00 N ATOM 0 H LYS A 36 21.063 -2.394 -14.041 1.00 0.00 H new ATOM 0 HA LYS A 36 18.254 -2.183 -13.490 1.00 0.00 H new ATOM 0 HB2 LYS A 36 20.693 -0.940 -12.156 1.00 0.00 H new ATOM 0 HB3 LYS A 36 19.072 -0.945 -11.491 1.00 0.00 H new ATOM 0 HG2 LYS A 36 20.394 -3.558 -12.217 1.00 0.00 H new ATOM 0 HG3 LYS A 36 20.827 -2.749 -10.724 1.00 0.00 H new ATOM 0 HD2 LYS A 36 18.138 -2.594 -10.497 1.00 0.00 H new ATOM 0 HD3 LYS A 36 18.231 -4.015 -11.518 1.00 0.00 H new ATOM 0 HE2 LYS A 36 19.697 -5.141 -9.907 1.00 0.00 H new ATOM 0 HE3 LYS A 36 19.787 -3.696 -8.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.158 -5.497 -8.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.570 -3.904 -8.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.185 -4.982 -9.520 1.00 0.00 H new ATOM 548 N ILE A 37 17.747 -0.092 -14.748 1.00 0.00 N ATOM 549 CA ILE A 37 17.342 1.187 -15.318 1.00 0.00 C ATOM 550 C ILE A 37 16.838 2.136 -14.236 1.00 0.00 C ATOM 551 O ILE A 37 15.680 2.064 -13.823 1.00 0.00 O ATOM 552 CB ILE A 37 16.241 1.007 -16.380 1.00 0.00 C ATOM 553 CG1 ILE A 37 16.634 -0.089 -17.373 1.00 0.00 C ATOM 554 CG2 ILE A 37 15.986 2.320 -17.106 1.00 0.00 C ATOM 555 CD1 ILE A 37 17.942 0.179 -18.083 1.00 0.00 C ATOM 0 H ILE A 37 17.090 -0.855 -14.914 1.00 0.00 H new ATOM 0 HA ILE A 37 18.226 1.615 -15.791 1.00 0.00 H new ATOM 0 HB ILE A 37 15.320 0.705 -15.880 1.00 0.00 H new ATOM 0 HG12 ILE A 37 16.706 -1.039 -16.843 1.00 0.00 H new ATOM 0 HG13 ILE A 37 15.843 -0.196 -18.115 1.00 0.00 H new ATOM 0 HG21 ILE A 37 15.206 2.177 -17.853 1.00 0.00 H new ATOM 0 HG22 ILE A 37 15.667 3.076 -16.389 1.00 0.00 H new ATOM 0 HG23 ILE A 37 16.902 2.648 -17.597 1.00 0.00 H new ATOM 0 HD11 ILE A 37 18.157 -0.639 -18.771 1.00 0.00 H new ATOM 0 HD12 ILE A 37 17.869 1.113 -18.641 1.00 0.00 H new ATOM 0 HD13 ILE A 37 18.745 0.257 -17.350 1.00 0.00 H new ATOM 567 N ARG A 38 17.715 3.025 -13.781 1.00 0.00 N ATOM 568 CA ARG A 38 17.359 3.989 -12.747 1.00 0.00 C ATOM 569 C ARG A 38 16.807 5.271 -13.366 1.00 0.00 C ATOM 570 O ARG A 38 17.302 5.740 -14.390 1.00 0.00 O ATOM 571 CB ARG A 38 18.577 4.312 -11.880 1.00 0.00 C ATOM 572 CG ARG A 38 18.504 3.720 -10.482 1.00 0.00 C ATOM 573 CD ARG A 38 19.473 4.409 -9.534 1.00 0.00 C ATOM 574 NE ARG A 38 19.714 3.619 -8.329 1.00 0.00 N ATOM 575 CZ ARG A 38 20.351 4.085 -7.261 1.00 0.00 C ATOM 576 NH1 ARG A 38 20.809 5.330 -7.248 1.00 0.00 N ATOM 577 NH2 ARG A 38 20.532 3.306 -6.202 1.00 0.00 N ATOM 0 H ARG A 38 18.677 3.098 -14.112 1.00 0.00 H new ATOM 0 HA ARG A 38 16.584 3.545 -12.122 1.00 0.00 H new ATOM 0 HB2 ARG A 38 19.474 3.941 -12.376 1.00 0.00 H new ATOM 0 HB3 ARG A 38 18.680 5.394 -11.802 1.00 0.00 H new ATOM 0 HG2 ARG A 38 17.488 3.815 -10.098 1.00 0.00 H new ATOM 0 HG3 ARG A 38 18.730 2.655 -10.525 1.00 0.00 H new ATOM 0 HD2 ARG A 38 20.418 4.585 -10.047 1.00 0.00 H new ATOM 0 HD3 ARG A 38 19.075 5.385 -9.255 1.00 0.00 H new ATOM 0 HE ARG A 38 19.375 2.657 -8.307 1.00 0.00 H new ATOM 0 HH11 ARG A 38 20.672 5.932 -8.060 1.00 0.00 H new ATOM 0 HH12 ARG A 38 21.298 5.685 -6.426 1.00 0.00 H new ATOM 0 HH21 ARG A 38 20.182 2.348 -6.208 1.00 0.00 H new ATOM 0 HH22 ARG A 38 21.021 3.665 -5.382 1.00 0.00 H new ATOM 591 N ARG A 39 15.780 5.830 -12.736 1.00 0.00 N ATOM 592 CA ARG A 39 15.160 7.056 -13.225 1.00 0.00 C ATOM 593 C ARG A 39 14.717 7.942 -12.064 1.00 0.00 C ATOM 594 O ARG A 39 15.199 9.064 -11.908 1.00 0.00 O ATOM 595 CB ARG A 39 13.960 6.726 -14.115 1.00 0.00 C ATOM 596 CG ARG A 39 14.302 6.648 -15.593 1.00 0.00 C ATOM 597 CD ARG A 39 13.056 6.751 -16.459 1.00 0.00 C ATOM 598 NE ARG A 39 12.769 8.130 -16.844 1.00 0.00 N ATOM 599 CZ ARG A 39 13.419 8.774 -17.807 1.00 0.00 C ATOM 600 NH1 ARG A 39 14.387 8.167 -18.480 1.00 0.00 N ATOM 601 NH2 ARG A 39 13.101 10.029 -18.100 1.00 0.00 N ATOM 0 H ARG A 39 15.359 5.454 -11.886 1.00 0.00 H new ATOM 0 HA ARG A 39 15.901 7.599 -13.812 1.00 0.00 H new ATOM 0 HB2 ARG A 39 13.534 5.774 -13.798 1.00 0.00 H new ATOM 0 HB3 ARG A 39 13.190 7.484 -13.968 1.00 0.00 H new ATOM 0 HG2 ARG A 39 14.993 7.451 -15.851 1.00 0.00 H new ATOM 0 HG3 ARG A 39 14.814 5.708 -15.800 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.186 6.144 -17.355 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.203 6.341 -15.918 1.00 0.00 H new ATOM 0 HE ARG A 39 12.029 8.626 -16.346 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.635 7.203 -18.259 1.00 0.00 H new ATOM 0 HH12 ARG A 39 14.884 8.665 -19.219 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.357 10.500 -17.585 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.601 10.522 -18.840 1.00 0.00 H new ATOM 615 N ARG A 40 13.797 7.430 -11.253 1.00 0.00 N ATOM 616 CA ARG A 40 13.288 8.176 -10.108 1.00 0.00 C ATOM 617 C ARG A 40 14.433 8.682 -9.236 1.00 0.00 C ATOM 618 O ARG A 40 15.229 7.896 -8.722 1.00 0.00 O ATOM 619 CB ARG A 40 12.350 7.298 -9.277 1.00 0.00 C ATOM 620 CG ARG A 40 10.969 7.131 -9.891 1.00 0.00 C ATOM 621 CD ARG A 40 10.217 8.451 -9.938 1.00 0.00 C ATOM 622 NE ARG A 40 8.777 8.267 -9.780 1.00 0.00 N ATOM 623 CZ ARG A 40 7.922 9.269 -9.611 1.00 0.00 C ATOM 624 NH1 ARG A 40 8.360 10.520 -9.580 1.00 0.00 N ATOM 625 NH2 ARG A 40 6.625 9.021 -9.474 1.00 0.00 N ATOM 0 H ARG A 40 13.389 6.502 -11.367 1.00 0.00 H new ATOM 0 HA ARG A 40 12.733 9.036 -10.484 1.00 0.00 H new ATOM 0 HB2 ARG A 40 12.803 6.315 -9.150 1.00 0.00 H new ATOM 0 HB3 ARG A 40 12.246 7.732 -8.282 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.064 6.729 -10.900 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.397 6.406 -9.312 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.587 9.107 -9.150 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.417 8.948 -10.887 1.00 0.00 H new ATOM 0 HE ARG A 40 8.408 7.316 -9.801 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.356 10.715 -9.686 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.701 11.288 -9.450 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.284 8.060 -9.498 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.969 9.792 -9.344 1.00 0.00 H new ATOM 639 N SER A 41 14.510 9.999 -9.075 1.00 0.00 N ATOM 640 CA SER A 41 15.561 10.610 -8.269 1.00 0.00 C ATOM 641 C SER A 41 15.251 10.477 -6.782 1.00 0.00 C ATOM 642 O SER A 41 14.111 10.248 -6.377 1.00 0.00 O ATOM 643 CB SER A 41 15.722 12.086 -8.638 1.00 0.00 C ATOM 644 OG SER A 41 15.129 12.924 -7.661 1.00 0.00 O ATOM 0 H SER A 41 13.858 10.663 -9.492 1.00 0.00 H new ATOM 0 HA SER A 41 16.495 10.087 -8.476 1.00 0.00 H new ATOM 0 HB2 SER A 41 16.781 12.327 -8.734 1.00 0.00 H new ATOM 0 HB3 SER A 41 15.263 12.273 -9.609 1.00 0.00 H new ATOM 0 HG SER A 41 15.247 13.862 -7.919 1.00 0.00 H new ATOM 650 N PRO A 42 16.290 10.623 -5.946 1.00 0.00 N ATOM 651 CA PRO A 42 16.156 10.524 -4.490 1.00 0.00 C ATOM 652 C PRO A 42 15.388 11.701 -3.897 1.00 0.00 C ATOM 653 O PRO A 42 15.923 12.803 -3.768 1.00 0.00 O ATOM 654 CB PRO A 42 17.605 10.530 -3.999 1.00 0.00 C ATOM 655 CG PRO A 42 18.365 11.239 -5.067 1.00 0.00 C ATOM 656 CD PRO A 42 17.677 10.898 -6.360 1.00 0.00 C ATOM 0 HA PRO A 42 15.594 9.639 -4.192 1.00 0.00 H new ATOM 0 HB2 PRO A 42 17.696 11.043 -3.041 1.00 0.00 H new ATOM 0 HB3 PRO A 42 17.978 9.516 -3.854 1.00 0.00 H new ATOM 0 HG2 PRO A 42 18.365 12.316 -4.897 1.00 0.00 H new ATOM 0 HG3 PRO A 42 19.407 10.919 -5.083 1.00 0.00 H new ATOM 0 HD2 PRO A 42 17.728 11.722 -7.072 1.00 0.00 H new ATOM 0 HD3 PRO A 42 18.132 10.032 -6.841 1.00 0.00 H new ATOM 664 N HIS A 43 14.131 11.461 -3.538 1.00 0.00 N ATOM 665 CA HIS A 43 13.289 12.501 -2.958 1.00 0.00 C ATOM 666 C HIS A 43 12.503 11.962 -1.767 1.00 0.00 C ATOM 667 O HIS A 43 12.681 12.417 -0.638 1.00 0.00 O ATOM 668 CB HIS A 43 12.328 13.055 -4.010 1.00 0.00 C ATOM 669 CG HIS A 43 12.210 14.548 -3.987 1.00 0.00 C ATOM 670 ND1 HIS A 43 13.302 15.390 -3.990 1.00 0.00 N ATOM 671 CD2 HIS A 43 11.119 15.349 -3.961 1.00 0.00 C ATOM 672 CE1 HIS A 43 12.889 16.644 -3.966 1.00 0.00 C ATOM 673 NE2 HIS A 43 11.568 16.647 -3.948 1.00 0.00 N ATOM 0 H HIS A 43 13.673 10.555 -3.639 1.00 0.00 H new ATOM 0 HA HIS A 43 13.936 13.306 -2.609 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.664 12.741 -4.998 1.00 0.00 H new ATOM 0 HB3 HIS A 43 11.341 12.618 -3.855 1.00 0.00 H new ATOM 0 HD2 HIS A 43 10.088 15.027 -3.952 1.00 0.00 H new ATOM 0 HE1 HIS A 43 13.523 17.518 -3.962 1.00 0.00 H new ATOM 0 HE2 HIS A 43 10.977 17.478 -3.928 1.00 0.00 H new ATOM 681 N GLU A 44 11.633 10.992 -2.028 1.00 0.00 N ATOM 682 CA GLU A 44 10.818 10.393 -0.977 1.00 0.00 C ATOM 683 C GLU A 44 11.604 9.326 -0.221 1.00 0.00 C ATOM 684 O GLU A 44 11.400 9.120 0.975 1.00 0.00 O ATOM 685 CB GLU A 44 9.548 9.781 -1.572 1.00 0.00 C ATOM 686 CG GLU A 44 8.463 10.802 -1.872 1.00 0.00 C ATOM 687 CD GLU A 44 7.077 10.190 -1.897 1.00 0.00 C ATOM 688 OE1 GLU A 44 6.976 8.946 -1.853 1.00 0.00 O ATOM 689 OE2 GLU A 44 6.092 10.955 -1.961 1.00 0.00 O ATOM 0 H GLU A 44 11.474 10.604 -2.958 1.00 0.00 H new ATOM 0 HA GLU A 44 10.539 11.180 -0.276 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.805 9.255 -2.492 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.154 9.038 -0.879 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.494 11.591 -1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.667 11.271 -2.835 1.00 0.00 H new ATOM 696 N ASP A 45 12.504 8.650 -0.928 1.00 0.00 N ATOM 697 CA ASP A 45 13.321 7.604 -0.325 1.00 0.00 C ATOM 698 C ASP A 45 12.450 6.581 0.396 1.00 0.00 C ATOM 699 O ASP A 45 12.571 6.389 1.607 1.00 0.00 O ATOM 700 CB ASP A 45 14.329 8.214 0.651 1.00 0.00 C ATOM 701 CG ASP A 45 15.440 7.249 1.014 1.00 0.00 C ATOM 702 OD1 ASP A 45 16.059 6.681 0.090 1.00 0.00 O ATOM 703 OD2 ASP A 45 15.692 7.062 2.223 1.00 0.00 O ATOM 0 H ASP A 45 12.686 8.808 -1.919 1.00 0.00 H new ATOM 0 HA ASP A 45 13.862 7.095 -1.123 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.761 9.111 0.209 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.810 8.524 1.558 1.00 0.00 H new ATOM 708 N THR A 46 11.569 5.927 -0.354 1.00 0.00 N ATOM 709 CA THR A 46 10.676 4.925 0.213 1.00 0.00 C ATOM 710 C THR A 46 9.888 4.209 -0.878 1.00 0.00 C ATOM 711 O THR A 46 9.671 3.000 -0.807 1.00 0.00 O ATOM 712 CB THR A 46 9.688 5.556 1.214 1.00 0.00 C ATOM 713 OG1 THR A 46 8.737 4.577 1.646 1.00 0.00 O ATOM 714 CG2 THR A 46 8.961 6.735 0.586 1.00 0.00 C ATOM 0 H THR A 46 11.455 6.074 -1.357 1.00 0.00 H new ATOM 0 HA THR A 46 11.303 4.203 0.737 1.00 0.00 H new ATOM 0 HB THR A 46 10.254 5.915 2.073 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.114 4.985 2.283 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.269 7.164 1.311 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.686 7.491 0.285 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.406 6.396 -0.289 1.00 0.00 H new ATOM 722 N GLU A 47 9.462 4.964 -1.886 1.00 0.00 N ATOM 723 CA GLU A 47 8.697 4.400 -2.992 1.00 0.00 C ATOM 724 C GLU A 47 9.430 4.597 -4.316 1.00 0.00 C ATOM 725 O GLU A 47 9.387 5.677 -4.906 1.00 0.00 O ATOM 726 CB GLU A 47 7.311 5.042 -3.063 1.00 0.00 C ATOM 727 CG GLU A 47 6.512 4.632 -4.288 1.00 0.00 C ATOM 728 CD GLU A 47 5.043 4.993 -4.175 1.00 0.00 C ATOM 729 OE1 GLU A 47 4.428 4.656 -3.141 1.00 0.00 O ATOM 730 OE2 GLU A 47 4.509 5.611 -5.119 1.00 0.00 O ATOM 0 H GLU A 47 9.634 5.967 -1.959 1.00 0.00 H new ATOM 0 HA GLU A 47 8.584 3.331 -2.814 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.750 4.775 -2.168 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.422 6.126 -3.058 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.934 5.114 -5.170 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.607 3.556 -4.436 1.00 0.00 H new ATOM 737 N SER A 48 10.102 3.547 -4.777 1.00 0.00 N ATOM 738 CA SER A 48 10.847 3.605 -6.028 1.00 0.00 C ATOM 739 C SER A 48 11.279 2.210 -6.469 1.00 0.00 C ATOM 740 O SER A 48 11.884 1.463 -5.699 1.00 0.00 O ATOM 741 CB SER A 48 12.074 4.506 -5.874 1.00 0.00 C ATOM 742 OG SER A 48 11.745 5.862 -6.123 1.00 0.00 O ATOM 0 H SER A 48 10.145 2.645 -4.302 1.00 0.00 H new ATOM 0 HA SER A 48 10.192 4.022 -6.793 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.479 4.406 -4.867 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.854 4.185 -6.564 1.00 0.00 H new ATOM 0 HG SER A 48 10.861 6.058 -5.749 1.00 0.00 H new ATOM 748 N PHE A 49 10.964 1.865 -7.713 1.00 0.00 N ATOM 749 CA PHE A 49 11.318 0.559 -8.257 1.00 0.00 C ATOM 750 C PHE A 49 12.216 0.706 -9.482 1.00 0.00 C ATOM 751 O PHE A 49 12.241 1.755 -10.127 1.00 0.00 O ATOM 752 CB PHE A 49 10.055 -0.222 -8.628 1.00 0.00 C ATOM 753 CG PHE A 49 9.110 0.548 -9.506 1.00 0.00 C ATOM 754 CD1 PHE A 49 8.128 1.353 -8.951 1.00 0.00 C ATOM 755 CD2 PHE A 49 9.204 0.466 -10.886 1.00 0.00 C ATOM 756 CE1 PHE A 49 7.258 2.062 -9.756 1.00 0.00 C ATOM 757 CE2 PHE A 49 8.336 1.173 -11.696 1.00 0.00 C ATOM 758 CZ PHE A 49 7.361 1.972 -11.130 1.00 0.00 C ATOM 0 H PHE A 49 10.464 2.471 -8.363 1.00 0.00 H new ATOM 0 HA PHE A 49 11.865 0.010 -7.490 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.343 -1.142 -9.137 1.00 0.00 H new ATOM 0 HB3 PHE A 49 9.535 -0.512 -7.715 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.042 1.427 -7.877 1.00 0.00 H new ATOM 0 HD2 PHE A 49 9.964 -0.157 -11.333 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.497 2.687 -9.311 1.00 0.00 H new ATOM 0 HE2 PHE A 49 8.420 1.101 -12.770 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.681 2.525 -11.761 1.00 0.00 H new ATOM 768 N THR A 50 12.955 -0.354 -9.797 1.00 0.00 N ATOM 769 CA THR A 50 13.857 -0.344 -10.942 1.00 0.00 C ATOM 770 C THR A 50 13.230 -1.047 -12.141 1.00 0.00 C ATOM 771 O THR A 50 12.965 -2.248 -12.100 1.00 0.00 O ATOM 772 CB THR A 50 15.198 -1.023 -10.606 1.00 0.00 C ATOM 773 OG1 THR A 50 15.392 -1.050 -9.188 1.00 0.00 O ATOM 774 CG2 THR A 50 16.355 -0.290 -11.268 1.00 0.00 C ATOM 0 H THR A 50 12.946 -1.230 -9.275 1.00 0.00 H new ATOM 0 HA THR A 50 14.040 0.701 -11.192 1.00 0.00 H new ATOM 0 HB THR A 50 15.169 -2.044 -10.987 1.00 0.00 H new ATOM 0 HG1 THR A 50 16.246 -1.485 -8.983 1.00 0.00 H new ATOM 0 HG21 THR A 50 17.292 -0.787 -11.017 1.00 0.00 H new ATOM 0 HG22 THR A 50 16.219 -0.297 -12.349 1.00 0.00 H new ATOM 0 HG23 THR A 50 16.384 0.740 -10.913 1.00 0.00 H new ATOM 782 N VAL A 51 12.996 -0.291 -13.208 1.00 0.00 N ATOM 783 CA VAL A 51 12.403 -0.842 -14.421 1.00 0.00 C ATOM 784 C VAL A 51 13.451 -1.546 -15.275 1.00 0.00 C ATOM 785 O VAL A 51 14.628 -1.595 -14.917 1.00 0.00 O ATOM 786 CB VAL A 51 11.724 0.255 -15.262 1.00 0.00 C ATOM 787 CG1 VAL A 51 10.601 0.914 -14.475 1.00 0.00 C ATOM 788 CG2 VAL A 51 12.745 1.287 -15.715 1.00 0.00 C ATOM 0 H VAL A 51 13.208 0.705 -13.258 1.00 0.00 H new ATOM 0 HA VAL A 51 11.651 -1.565 -14.105 1.00 0.00 H new ATOM 0 HB VAL A 51 11.291 -0.208 -16.149 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.133 1.686 -15.086 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.857 0.164 -14.206 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.007 1.364 -13.569 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.248 2.055 -16.308 1.00 0.00 H new ATOM 0 HG22 VAL A 51 13.210 1.747 -14.843 1.00 0.00 H new ATOM 0 HG23 VAL A 51 13.510 0.800 -16.320 1.00 0.00 H new ATOM 798 N TYR A 52 13.016 -2.091 -16.405 1.00 0.00 N ATOM 799 CA TYR A 52 13.916 -2.795 -17.311 1.00 0.00 C ATOM 800 C TYR A 52 13.541 -2.532 -18.766 1.00 0.00 C ATOM 801 O TYR A 52 12.565 -1.837 -19.052 1.00 0.00 O ATOM 802 CB TYR A 52 13.885 -4.298 -17.028 1.00 0.00 C ATOM 803 CG TYR A 52 14.286 -4.656 -15.615 1.00 0.00 C ATOM 804 CD1 TYR A 52 15.588 -4.462 -15.171 1.00 0.00 C ATOM 805 CD2 TYR A 52 13.363 -5.190 -14.724 1.00 0.00 C ATOM 806 CE1 TYR A 52 15.960 -4.788 -13.881 1.00 0.00 C ATOM 807 CE2 TYR A 52 13.725 -5.518 -13.432 1.00 0.00 C ATOM 808 CZ TYR A 52 15.024 -5.316 -13.015 1.00 0.00 C ATOM 809 OH TYR A 52 15.389 -5.643 -11.729 1.00 0.00 O ATOM 0 H TYR A 52 12.045 -2.059 -16.716 1.00 0.00 H new ATOM 0 HA TYR A 52 14.926 -2.421 -17.142 1.00 0.00 H new ATOM 0 HB2 TYR A 52 12.880 -4.674 -17.218 1.00 0.00 H new ATOM 0 HB3 TYR A 52 14.552 -4.804 -17.726 1.00 0.00 H new ATOM 0 HD1 TYR A 52 16.323 -4.049 -15.846 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.345 -5.351 -15.047 1.00 0.00 H new ATOM 0 HE1 TYR A 52 16.977 -4.631 -13.552 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.995 -5.931 -12.752 1.00 0.00 H new ATOM 0 HH TYR A 52 14.613 -6.001 -11.250 1.00 0.00 H new ATOM 819 N LEU A 53 14.322 -3.093 -19.682 1.00 0.00 N ATOM 820 CA LEU A 53 14.073 -2.921 -21.109 1.00 0.00 C ATOM 821 C LEU A 53 13.400 -4.157 -21.697 1.00 0.00 C ATOM 822 O LEU A 53 13.934 -5.264 -21.618 1.00 0.00 O ATOM 823 CB LEU A 53 15.384 -2.642 -21.846 1.00 0.00 C ATOM 824 CG LEU A 53 15.495 -1.277 -22.526 1.00 0.00 C ATOM 825 CD1 LEU A 53 16.841 -0.638 -22.223 1.00 0.00 C ATOM 826 CD2 LEU A 53 15.291 -1.411 -24.028 1.00 0.00 C ATOM 0 H LEU A 53 15.133 -3.671 -19.462 1.00 0.00 H new ATOM 0 HA LEU A 53 13.404 -2.070 -21.236 1.00 0.00 H new ATOM 0 HB2 LEU A 53 16.205 -2.739 -21.135 1.00 0.00 H new ATOM 0 HB3 LEU A 53 15.524 -3.415 -22.602 1.00 0.00 H new ATOM 0 HG LEU A 53 14.712 -0.630 -22.130 1.00 0.00 H new ATOM 0 HD11 LEU A 53 16.902 0.333 -22.715 1.00 0.00 H new ATOM 0 HD12 LEU A 53 16.947 -0.506 -21.146 1.00 0.00 H new ATOM 0 HD13 LEU A 53 17.640 -1.282 -22.590 1.00 0.00 H new ATOM 0 HD21 LEU A 53 15.373 -0.430 -24.495 1.00 0.00 H new ATOM 0 HD22 LEU A 53 16.051 -2.074 -24.441 1.00 0.00 H new ATOM 0 HD23 LEU A 53 14.302 -1.825 -24.225 1.00 0.00 H new ATOM 838 N ARG A 54 12.225 -3.960 -22.287 1.00 0.00 N ATOM 839 CA ARG A 54 11.479 -5.059 -22.889 1.00 0.00 C ATOM 840 C ARG A 54 12.343 -5.817 -23.894 1.00 0.00 C ATOM 841 O ARG A 54 12.142 -7.008 -24.126 1.00 0.00 O ATOM 842 CB ARG A 54 10.220 -4.531 -23.580 1.00 0.00 C ATOM 843 CG ARG A 54 8.928 -5.048 -22.969 1.00 0.00 C ATOM 844 CD ARG A 54 7.820 -4.010 -23.050 1.00 0.00 C ATOM 845 NE ARG A 54 7.041 -4.136 -24.279 1.00 0.00 N ATOM 846 CZ ARG A 54 6.125 -3.254 -24.661 1.00 0.00 C ATOM 847 NH1 ARG A 54 5.874 -2.187 -23.915 1.00 0.00 N ATOM 848 NH2 ARG A 54 5.457 -3.437 -25.793 1.00 0.00 N ATOM 0 H ARG A 54 11.770 -3.050 -22.361 1.00 0.00 H new ATOM 0 HA ARG A 54 11.189 -5.746 -22.094 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.222 -3.442 -23.537 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.250 -4.809 -24.634 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.617 -5.955 -23.487 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.099 -5.318 -21.927 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.159 -4.117 -22.190 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.254 -3.012 -22.997 1.00 0.00 H new ATOM 0 HE ARG A 54 7.210 -4.945 -24.876 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.385 -2.042 -23.044 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.170 -1.512 -24.212 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.647 -4.256 -26.371 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.754 -2.759 -26.085 1.00 0.00 H new ATOM 862 N SER A 55 13.304 -5.116 -24.487 1.00 0.00 N ATOM 863 CA SER A 55 14.196 -5.721 -25.469 1.00 0.00 C ATOM 864 C SER A 55 15.200 -6.649 -24.793 1.00 0.00 C ATOM 865 O SER A 55 15.620 -7.653 -25.368 1.00 0.00 O ATOM 866 CB SER A 55 14.936 -4.636 -26.255 1.00 0.00 C ATOM 867 OG SER A 55 16.227 -4.408 -25.717 1.00 0.00 O ATOM 0 H SER A 55 13.485 -4.129 -24.305 1.00 0.00 H new ATOM 0 HA SER A 55 13.591 -6.310 -26.158 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.021 -4.934 -27.300 1.00 0.00 H new ATOM 0 HB3 SER A 55 14.361 -3.710 -26.233 1.00 0.00 H new ATOM 0 HG SER A 55 16.680 -3.712 -26.237 1.00 0.00 H new ATOM 873 N ASP A 56 15.581 -6.305 -23.567 1.00 0.00 N ATOM 874 CA ASP A 56 16.535 -7.107 -22.810 1.00 0.00 C ATOM 875 C ASP A 56 15.850 -8.314 -22.177 1.00 0.00 C ATOM 876 O ASP A 56 16.324 -9.444 -22.295 1.00 0.00 O ATOM 877 CB ASP A 56 17.202 -6.257 -21.727 1.00 0.00 C ATOM 878 CG ASP A 56 18.576 -5.766 -22.141 1.00 0.00 C ATOM 879 OD1 ASP A 56 18.758 -5.452 -23.335 1.00 0.00 O ATOM 880 OD2 ASP A 56 19.469 -5.698 -21.270 1.00 0.00 O ATOM 0 H ASP A 56 15.244 -5.477 -23.077 1.00 0.00 H new ATOM 0 HA ASP A 56 17.298 -7.466 -23.500 1.00 0.00 H new ATOM 0 HB2 ASP A 56 16.567 -5.401 -21.499 1.00 0.00 H new ATOM 0 HB3 ASP A 56 17.289 -6.843 -20.812 1.00 0.00 H new ATOM 885 N VAL A 57 14.731 -8.066 -21.502 1.00 0.00 N ATOM 886 CA VAL A 57 13.980 -9.132 -20.850 1.00 0.00 C ATOM 887 C VAL A 57 13.571 -10.207 -21.850 1.00 0.00 C ATOM 888 O VAL A 57 13.384 -11.368 -21.485 1.00 0.00 O ATOM 889 CB VAL A 57 12.718 -8.585 -20.156 1.00 0.00 C ATOM 890 CG1 VAL A 57 12.006 -9.692 -19.394 1.00 0.00 C ATOM 891 CG2 VAL A 57 13.077 -7.434 -19.229 1.00 0.00 C ATOM 0 H VAL A 57 14.325 -7.137 -21.393 1.00 0.00 H new ATOM 0 HA VAL A 57 14.638 -9.570 -20.099 1.00 0.00 H new ATOM 0 HB VAL A 57 12.038 -8.208 -20.920 1.00 0.00 H new ATOM 0 HG11 VAL A 57 11.117 -9.287 -18.910 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.714 -10.481 -20.087 1.00 0.00 H new ATOM 0 HG13 VAL A 57 12.676 -10.102 -18.638 1.00 0.00 H new ATOM 0 HG21 VAL A 57 12.174 -7.060 -18.747 1.00 0.00 H new ATOM 0 HG22 VAL A 57 13.776 -7.783 -18.469 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.539 -6.633 -19.806 1.00 0.00 H new ATOM 901 N GLU A 58 13.435 -9.813 -23.112 1.00 0.00 N ATOM 902 CA GLU A 58 13.048 -10.745 -24.165 1.00 0.00 C ATOM 903 C GLU A 58 14.028 -11.913 -24.245 1.00 0.00 C ATOM 904 O GLU A 58 13.623 -13.074 -24.282 1.00 0.00 O ATOM 905 CB GLU A 58 12.982 -10.026 -25.514 1.00 0.00 C ATOM 906 CG GLU A 58 12.341 -10.855 -26.615 1.00 0.00 C ATOM 907 CD GLU A 58 12.095 -10.055 -27.879 1.00 0.00 C ATOM 908 OE1 GLU A 58 13.024 -9.950 -28.706 1.00 0.00 O ATOM 909 OE2 GLU A 58 10.971 -9.534 -28.041 1.00 0.00 O ATOM 0 H GLU A 58 13.587 -8.856 -23.430 1.00 0.00 H new ATOM 0 HA GLU A 58 12.061 -11.138 -23.923 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.421 -9.099 -25.395 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.991 -9.750 -25.819 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.984 -11.704 -26.846 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.395 -11.260 -26.256 1.00 0.00 H new ATOM 916 N ALA A 59 15.318 -11.594 -24.273 1.00 0.00 N ATOM 917 CA ALA A 59 16.355 -12.615 -24.348 1.00 0.00 C ATOM 918 C ALA A 59 16.455 -13.393 -23.040 1.00 0.00 C ATOM 919 O ALA A 59 16.730 -14.593 -23.039 1.00 0.00 O ATOM 920 CB ALA A 59 17.695 -11.982 -24.691 1.00 0.00 C ATOM 0 H ALA A 59 15.669 -10.637 -24.245 1.00 0.00 H new ATOM 0 HA ALA A 59 16.084 -13.316 -25.138 1.00 0.00 H new ATOM 0 HB1 ALA A 59 18.460 -12.756 -24.744 1.00 0.00 H new ATOM 0 HB2 ALA A 59 17.623 -11.477 -25.654 1.00 0.00 H new ATOM 0 HB3 ALA A 59 17.963 -11.259 -23.921 1.00 0.00 H new ATOM 926 N LYS A 60 16.229 -12.703 -21.928 1.00 0.00 N ATOM 927 CA LYS A 60 16.293 -13.329 -20.612 1.00 0.00 C ATOM 928 C LYS A 60 15.342 -14.518 -20.529 1.00 0.00 C ATOM 929 O LYS A 60 15.562 -15.448 -19.753 1.00 0.00 O ATOM 930 CB LYS A 60 15.949 -12.310 -19.523 1.00 0.00 C ATOM 931 CG LYS A 60 15.969 -12.890 -18.120 1.00 0.00 C ATOM 932 CD LYS A 60 17.352 -13.395 -17.744 1.00 0.00 C ATOM 933 CE LYS A 60 18.360 -12.259 -17.674 1.00 0.00 C ATOM 934 NZ LYS A 60 19.461 -12.552 -16.714 1.00 0.00 N ATOM 0 H LYS A 60 16.000 -11.709 -21.911 1.00 0.00 H new ATOM 0 HA LYS A 60 17.310 -13.688 -20.457 1.00 0.00 H new ATOM 0 HB2 LYS A 60 16.656 -11.482 -19.575 1.00 0.00 H new ATOM 0 HB3 LYS A 60 14.960 -11.897 -19.723 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.652 -12.129 -17.406 1.00 0.00 H new ATOM 0 HG3 LYS A 60 15.252 -13.708 -18.053 1.00 0.00 H new ATOM 0 HD2 LYS A 60 17.306 -13.902 -16.780 1.00 0.00 H new ATOM 0 HD3 LYS A 60 17.683 -14.132 -18.476 1.00 0.00 H new ATOM 0 HE2 LYS A 60 18.779 -12.084 -18.665 1.00 0.00 H new ATOM 0 HE3 LYS A 60 17.853 -11.341 -17.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 20.347 -12.134 -17.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 19.229 -12.145 -15.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 19.577 -13.581 -16.622 1.00 0.00 H new ATOM 948 N SER A 61 14.284 -14.482 -21.334 1.00 0.00 N ATOM 949 CA SER A 61 13.298 -15.556 -21.349 1.00 0.00 C ATOM 950 C SER A 61 13.768 -16.712 -22.228 1.00 0.00 C ATOM 951 O SER A 61 13.376 -17.862 -22.023 1.00 0.00 O ATOM 952 CB SER A 61 11.951 -15.033 -21.851 1.00 0.00 C ATOM 953 OG SER A 61 11.721 -15.424 -23.194 1.00 0.00 O ATOM 0 H SER A 61 14.088 -13.721 -21.984 1.00 0.00 H new ATOM 0 HA SER A 61 13.180 -15.922 -20.329 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.150 -15.413 -21.216 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.929 -13.946 -21.776 1.00 0.00 H new ATOM 0 HG SER A 61 12.217 -14.832 -23.797 1.00 0.00 H new ATOM 959 N LEU A 62 14.609 -16.398 -23.207 1.00 0.00 N ATOM 960 CA LEU A 62 15.133 -17.410 -24.118 1.00 0.00 C ATOM 961 C LEU A 62 16.337 -18.122 -23.508 1.00 0.00 C ATOM 962 O LEU A 62 16.552 -19.309 -23.745 1.00 0.00 O ATOM 963 CB LEU A 62 15.527 -16.769 -25.450 1.00 0.00 C ATOM 964 CG LEU A 62 14.523 -15.778 -26.041 1.00 0.00 C ATOM 965 CD1 LEU A 62 14.985 -15.303 -27.410 1.00 0.00 C ATOM 966 CD2 LEU A 62 13.141 -16.409 -26.132 1.00 0.00 C ATOM 0 H LEU A 62 14.943 -15.452 -23.390 1.00 0.00 H new ATOM 0 HA LEU A 62 14.349 -18.147 -24.293 1.00 0.00 H new ATOM 0 HB2 LEU A 62 16.479 -16.255 -25.315 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.694 -17.563 -26.177 1.00 0.00 H new ATOM 0 HG LEU A 62 14.463 -14.913 -25.380 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.258 -14.599 -27.815 1.00 0.00 H new ATOM 0 HD12 LEU A 62 15.954 -14.812 -27.317 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.075 -16.158 -28.081 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.440 -15.690 -26.555 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.185 -17.291 -26.771 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.807 -16.699 -25.136 1.00 0.00 H new ATOM 978 N GLU A 63 17.115 -17.387 -22.720 1.00 0.00 N ATOM 979 CA GLU A 63 18.296 -17.949 -22.074 1.00 0.00 C ATOM 980 C GLU A 63 17.900 -18.863 -20.917 1.00 0.00 C ATOM 981 O GLU A 63 18.646 -19.767 -20.543 1.00 0.00 O ATOM 982 CB GLU A 63 19.209 -16.831 -21.567 1.00 0.00 C ATOM 983 CG GLU A 63 18.683 -16.134 -20.324 1.00 0.00 C ATOM 984 CD GLU A 63 19.388 -16.586 -19.059 1.00 0.00 C ATOM 985 OE1 GLU A 63 19.120 -17.716 -18.602 1.00 0.00 O ATOM 986 OE2 GLU A 63 20.208 -15.808 -18.527 1.00 0.00 O ATOM 0 H GLU A 63 16.949 -16.402 -22.513 1.00 0.00 H new ATOM 0 HA GLU A 63 18.836 -18.541 -22.813 1.00 0.00 H new ATOM 0 HB2 GLU A 63 20.193 -17.247 -21.351 1.00 0.00 H new ATOM 0 HB3 GLU A 63 19.341 -16.094 -22.359 1.00 0.00 H new ATOM 0 HG2 GLU A 63 18.804 -15.057 -20.438 1.00 0.00 H new ATOM 0 HG3 GLU A 63 17.614 -16.327 -20.229 1.00 0.00 H new ATOM 993 N VAL A 64 16.721 -18.618 -20.354 1.00 0.00 N ATOM 994 CA VAL A 64 16.225 -19.417 -19.240 1.00 0.00 C ATOM 995 C VAL A 64 15.391 -20.593 -19.736 1.00 0.00 C ATOM 996 O VAL A 64 15.831 -21.741 -19.692 1.00 0.00 O ATOM 997 CB VAL A 64 15.375 -18.569 -18.276 1.00 0.00 C ATOM 998 CG1 VAL A 64 14.822 -19.432 -17.152 1.00 0.00 C ATOM 999 CG2 VAL A 64 16.195 -17.415 -17.718 1.00 0.00 C ATOM 0 H VAL A 64 16.092 -17.872 -20.651 1.00 0.00 H new ATOM 0 HA VAL A 64 17.098 -19.794 -18.707 1.00 0.00 H new ATOM 0 HB VAL A 64 14.534 -18.153 -18.831 1.00 0.00 H new ATOM 0 HG11 VAL A 64 14.224 -18.816 -16.481 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.198 -20.221 -17.572 1.00 0.00 H new ATOM 0 HG13 VAL A 64 15.647 -19.878 -16.597 1.00 0.00 H new ATOM 0 HG21 VAL A 64 15.579 -16.826 -17.039 1.00 0.00 H new ATOM 0 HG22 VAL A 64 17.056 -17.808 -17.178 1.00 0.00 H new ATOM 0 HG23 VAL A 64 16.538 -16.783 -18.537 1.00 0.00 H new ATOM 1009 N TRP A 65 14.185 -20.298 -20.207 1.00 0.00 N ATOM 1010 CA TRP A 65 13.288 -21.331 -20.713 1.00 0.00 C ATOM 1011 C TRP A 65 13.917 -22.069 -21.889 1.00 0.00 C ATOM 1012 O TRP A 65 13.588 -23.224 -22.156 1.00 0.00 O ATOM 1013 CB TRP A 65 11.954 -20.715 -21.135 1.00 0.00 C ATOM 1014 CG TRP A 65 11.018 -20.481 -19.988 1.00 0.00 C ATOM 1015 CD1 TRP A 65 10.837 -19.314 -19.302 1.00 0.00 C ATOM 1016 CD2 TRP A 65 10.136 -21.440 -19.392 1.00 0.00 C ATOM 1017 NE1 TRP A 65 9.896 -19.489 -18.316 1.00 0.00 N ATOM 1018 CE2 TRP A 65 9.451 -20.784 -18.351 1.00 0.00 C ATOM 1019 CE3 TRP A 65 9.859 -22.787 -19.638 1.00 0.00 C ATOM 1020 CZ2 TRP A 65 8.507 -21.432 -17.558 1.00 0.00 C ATOM 1021 CZ3 TRP A 65 8.922 -23.429 -18.850 1.00 0.00 C ATOM 1022 CH2 TRP A 65 8.255 -22.751 -17.821 1.00 0.00 C ATOM 0 H TRP A 65 13.805 -19.352 -20.249 1.00 0.00 H new ATOM 0 HA TRP A 65 13.111 -22.048 -19.912 1.00 0.00 H new ATOM 0 HB2 TRP A 65 12.143 -19.767 -21.639 1.00 0.00 H new ATOM 0 HB3 TRP A 65 11.472 -21.371 -21.860 1.00 0.00 H new ATOM 0 HD1 TRP A 65 11.357 -18.389 -19.505 1.00 0.00 H new ATOM 0 HE1 TRP A 65 9.580 -18.771 -17.664 1.00 0.00 H new ATOM 0 HE3 TRP A 65 10.368 -23.317 -20.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 7.992 -20.912 -16.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 8.700 -24.470 -19.031 1.00 0.00 H new ATOM 0 HH2 TRP A 65 7.527 -23.280 -17.223 1.00 0.00 H new ATOM 1033 N GLY A 66 14.823 -21.395 -22.590 1.00 0.00 N ATOM 1034 CA GLY A 66 15.483 -22.004 -23.730 1.00 0.00 C ATOM 1035 C GLY A 66 15.017 -21.421 -25.049 1.00 0.00 C ATOM 1036 O GLY A 66 15.819 -21.204 -25.958 1.00 0.00 O ATOM 0 H GLY A 66 15.112 -20.438 -22.389 1.00 0.00 H new ATOM 0 HA2 GLY A 66 16.561 -21.869 -23.637 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.295 -23.078 -23.724 1.00 0.00 H new ATOM 1040 N SER A 67 13.716 -21.167 -25.156 1.00 0.00 N ATOM 1041 CA SER A 67 13.144 -20.611 -26.376 1.00 0.00 C ATOM 1042 C SER A 67 11.847 -19.864 -26.076 1.00 0.00 C ATOM 1043 O SER A 67 11.213 -20.061 -25.040 1.00 0.00 O ATOM 1044 CB SER A 67 12.882 -21.722 -27.394 1.00 0.00 C ATOM 1045 OG SER A 67 13.435 -22.953 -26.961 1.00 0.00 O ATOM 0 H SER A 67 13.039 -21.338 -24.412 1.00 0.00 H new ATOM 0 HA SER A 67 13.861 -19.905 -26.796 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.808 -21.835 -27.545 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.312 -21.446 -28.357 1.00 0.00 H new ATOM 0 HG SER A 67 13.252 -23.647 -27.629 1.00 0.00 H new ATOM 1051 N PRO A 68 11.443 -18.986 -27.006 1.00 0.00 N ATOM 1052 CA PRO A 68 10.219 -18.191 -26.865 1.00 0.00 C ATOM 1053 C PRO A 68 8.959 -19.042 -26.981 1.00 0.00 C ATOM 1054 O PRO A 68 7.885 -18.639 -26.538 1.00 0.00 O ATOM 1055 CB PRO A 68 10.304 -17.200 -28.028 1.00 0.00 C ATOM 1056 CG PRO A 68 11.159 -17.878 -29.042 1.00 0.00 C ATOM 1057 CD PRO A 68 12.150 -18.700 -28.266 1.00 0.00 C ATOM 0 HA PRO A 68 10.152 -17.716 -25.886 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.316 -16.976 -28.430 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.742 -16.254 -27.710 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.560 -18.508 -29.699 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.667 -17.149 -29.674 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.415 -19.615 -28.795 1.00 0.00 H new ATOM 0 HD3 PRO A 68 13.077 -18.153 -28.092 1.00 0.00 H new ATOM 1065 N GLU A 69 9.100 -20.221 -27.579 1.00 0.00 N ATOM 1066 CA GLU A 69 7.972 -21.128 -27.753 1.00 0.00 C ATOM 1067 C GLU A 69 7.580 -21.771 -26.426 1.00 0.00 C ATOM 1068 O GLU A 69 6.417 -22.107 -26.206 1.00 0.00 O ATOM 1069 CB GLU A 69 8.314 -22.213 -28.777 1.00 0.00 C ATOM 1070 CG GLU A 69 8.035 -21.805 -30.213 1.00 0.00 C ATOM 1071 CD GLU A 69 7.806 -22.995 -31.124 1.00 0.00 C ATOM 1072 OE1 GLU A 69 8.424 -24.054 -30.885 1.00 0.00 O ATOM 1073 OE2 GLU A 69 7.009 -22.868 -32.077 1.00 0.00 O ATOM 0 H GLU A 69 9.983 -20.570 -27.951 1.00 0.00 H new ATOM 0 HA GLU A 69 7.126 -20.547 -28.119 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.368 -22.472 -28.680 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.742 -23.112 -28.546 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.158 -21.158 -30.239 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.874 -21.220 -30.590 1.00 0.00 H new ATOM 1080 N ALA A 70 8.561 -21.938 -25.545 1.00 0.00 N ATOM 1081 CA ALA A 70 8.320 -22.539 -24.239 1.00 0.00 C ATOM 1082 C ALA A 70 7.487 -21.616 -23.355 1.00 0.00 C ATOM 1083 O ALA A 70 6.517 -22.047 -22.731 1.00 0.00 O ATOM 1084 CB ALA A 70 9.640 -22.873 -23.560 1.00 0.00 C ATOM 0 H ALA A 70 9.530 -21.666 -25.712 1.00 0.00 H new ATOM 0 HA ALA A 70 7.758 -23.461 -24.389 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.445 -23.321 -22.586 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.199 -23.576 -24.177 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.223 -21.961 -23.430 1.00 0.00 H new ATOM 1090 N LEU A 71 7.872 -20.346 -23.307 1.00 0.00 N ATOM 1091 CA LEU A 71 7.160 -19.362 -22.498 1.00 0.00 C ATOM 1092 C LEU A 71 5.774 -19.086 -23.072 1.00 0.00 C ATOM 1093 O LEU A 71 4.808 -18.912 -22.330 1.00 0.00 O ATOM 1094 CB LEU A 71 7.961 -18.061 -22.422 1.00 0.00 C ATOM 1095 CG LEU A 71 7.224 -16.851 -21.845 1.00 0.00 C ATOM 1096 CD1 LEU A 71 6.830 -17.107 -20.398 1.00 0.00 C ATOM 1097 CD2 LEU A 71 8.085 -15.601 -21.953 1.00 0.00 C ATOM 0 H LEU A 71 8.672 -19.973 -23.818 1.00 0.00 H new ATOM 0 HA LEU A 71 7.043 -19.769 -21.494 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.851 -18.241 -21.819 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.302 -17.809 -23.426 1.00 0.00 H new ATOM 0 HG LEU A 71 6.315 -16.692 -22.425 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.307 -16.236 -20.004 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.175 -17.977 -20.348 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.725 -17.292 -19.804 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.545 -14.750 -21.538 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.012 -15.748 -21.398 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.316 -15.408 -23.001 1.00 0.00 H new ATOM 1109 N ALA A 72 5.685 -19.049 -24.398 1.00 0.00 N ATOM 1110 CA ALA A 72 4.416 -18.798 -25.071 1.00 0.00 C ATOM 1111 C ALA A 72 3.355 -19.802 -24.633 1.00 0.00 C ATOM 1112 O ALA A 72 2.159 -19.517 -24.684 1.00 0.00 O ATOM 1113 CB ALA A 72 4.601 -18.847 -26.580 1.00 0.00 C ATOM 0 H ALA A 72 6.476 -19.190 -25.027 1.00 0.00 H new ATOM 0 HA ALA A 72 4.074 -17.802 -24.790 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.646 -18.658 -27.070 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.321 -18.087 -26.883 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.969 -19.831 -26.870 1.00 0.00 H new ATOM 1119 N ARG A 73 3.801 -20.979 -24.205 1.00 0.00 N ATOM 1120 CA ARG A 73 2.889 -22.026 -23.761 1.00 0.00 C ATOM 1121 C ARG A 73 2.030 -21.540 -22.597 1.00 0.00 C ATOM 1122 O ARG A 73 0.859 -21.903 -22.484 1.00 0.00 O ATOM 1123 CB ARG A 73 3.673 -23.272 -23.345 1.00 0.00 C ATOM 1124 CG ARG A 73 4.515 -23.863 -24.464 1.00 0.00 C ATOM 1125 CD ARG A 73 3.941 -25.183 -24.955 1.00 0.00 C ATOM 1126 NE ARG A 73 4.532 -25.598 -26.224 1.00 0.00 N ATOM 1127 CZ ARG A 73 4.201 -26.718 -26.857 1.00 0.00 C ATOM 1128 NH1 ARG A 73 3.288 -27.530 -26.342 1.00 0.00 N ATOM 1129 NH2 ARG A 73 4.783 -27.027 -28.009 1.00 0.00 N ATOM 0 H ARG A 73 4.788 -21.231 -24.156 1.00 0.00 H new ATOM 0 HA ARG A 73 2.233 -22.279 -24.594 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.323 -23.019 -22.507 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.974 -24.029 -22.989 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.568 -23.157 -25.293 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.535 -24.017 -24.111 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.114 -25.955 -24.205 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.861 -25.088 -25.072 1.00 0.00 H new ATOM 0 HE ARG A 73 5.237 -24.995 -26.648 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.838 -27.295 -25.457 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.036 -28.389 -26.830 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.485 -26.404 -28.409 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.528 -27.887 -28.494 1.00 0.00 H new ATOM 1143 N GLU A 74 2.620 -20.719 -21.734 1.00 0.00 N ATOM 1144 CA GLU A 74 1.908 -20.185 -20.579 1.00 0.00 C ATOM 1145 C GLU A 74 1.203 -18.879 -20.930 1.00 0.00 C ATOM 1146 O GLU A 74 0.173 -18.539 -20.346 1.00 0.00 O ATOM 1147 CB GLU A 74 2.876 -19.959 -19.416 1.00 0.00 C ATOM 1148 CG GLU A 74 2.987 -21.148 -18.476 1.00 0.00 C ATOM 1149 CD GLU A 74 1.816 -21.245 -17.517 1.00 0.00 C ATOM 1150 OE1 GLU A 74 1.820 -20.517 -16.502 1.00 0.00 O ATOM 1151 OE2 GLU A 74 0.897 -22.048 -17.781 1.00 0.00 O ATOM 0 H GLU A 74 3.589 -20.409 -21.813 1.00 0.00 H new ATOM 0 HA GLU A 74 1.155 -20.914 -20.279 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.864 -19.729 -19.816 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.551 -19.087 -18.848 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.049 -22.065 -19.062 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.913 -21.071 -17.906 1.00 0.00 H new ATOM 1158 N LYS A 75 1.765 -18.149 -21.887 1.00 0.00 N ATOM 1159 CA LYS A 75 1.192 -16.879 -22.318 1.00 0.00 C ATOM 1160 C LYS A 75 -0.144 -17.096 -23.023 1.00 0.00 C ATOM 1161 O LYS A 75 -1.074 -16.305 -22.870 1.00 0.00 O ATOM 1162 CB LYS A 75 2.160 -16.149 -23.251 1.00 0.00 C ATOM 1163 CG LYS A 75 3.531 -15.912 -22.641 1.00 0.00 C ATOM 1164 CD LYS A 75 4.037 -14.510 -22.934 1.00 0.00 C ATOM 1165 CE LYS A 75 3.622 -13.530 -21.847 1.00 0.00 C ATOM 1166 NZ LYS A 75 2.893 -12.357 -22.406 1.00 0.00 N ATOM 0 H LYS A 75 2.618 -18.415 -22.380 1.00 0.00 H new ATOM 0 HA LYS A 75 1.021 -16.268 -21.432 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.275 -16.728 -24.167 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.726 -15.190 -23.532 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.482 -16.064 -21.563 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.237 -16.644 -23.034 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.124 -14.524 -23.017 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.648 -14.175 -23.896 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.988 -14.040 -21.122 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.507 -13.186 -21.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.687 -11.681 -21.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.481 -11.895 -23.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.001 -12.675 -22.836 1.00 0.00 H new ATOM 1180 N LYS A 76 -0.232 -18.175 -23.794 1.00 0.00 N ATOM 1181 CA LYS A 76 -1.454 -18.499 -24.520 1.00 0.00 C ATOM 1182 C LYS A 76 -2.550 -18.956 -23.564 1.00 0.00 C ATOM 1183 O LYS A 76 -3.731 -18.676 -23.777 1.00 0.00 O ATOM 1184 CB LYS A 76 -1.180 -19.589 -25.559 1.00 0.00 C ATOM 1185 CG LYS A 76 -2.412 -20.001 -26.347 1.00 0.00 C ATOM 1186 CD LYS A 76 -2.291 -19.616 -27.812 1.00 0.00 C ATOM 1187 CE LYS A 76 -2.427 -18.113 -28.007 1.00 0.00 C ATOM 1188 NZ LYS A 76 -3.441 -17.778 -29.044 1.00 0.00 N ATOM 0 H LYS A 76 0.529 -18.840 -23.932 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.795 -17.598 -25.029 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.417 -19.235 -26.252 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.771 -20.465 -25.055 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.555 -21.078 -26.264 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.295 -19.528 -25.917 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.327 -19.948 -28.198 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.060 -20.130 -28.389 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.707 -17.648 -27.062 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.462 -17.695 -28.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.504 -16.745 -29.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.161 -18.200 -29.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.367 -18.154 -28.758 1.00 0.00 H new ATOM 1202 N LEU A 77 -2.153 -19.660 -22.510 1.00 0.00 N ATOM 1203 CA LEU A 77 -3.103 -20.156 -21.519 1.00 0.00 C ATOM 1204 C LEU A 77 -3.856 -19.003 -20.863 1.00 0.00 C ATOM 1205 O LEU A 77 -5.085 -18.941 -20.916 1.00 0.00 O ATOM 1206 CB LEU A 77 -2.375 -20.977 -20.453 1.00 0.00 C ATOM 1207 CG LEU A 77 -2.038 -22.419 -20.831 1.00 0.00 C ATOM 1208 CD1 LEU A 77 -1.219 -23.081 -19.734 1.00 0.00 C ATOM 1209 CD2 LEU A 77 -3.309 -23.211 -21.102 1.00 0.00 C ATOM 0 H LEU A 77 -1.180 -19.900 -22.319 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.825 -20.793 -22.030 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.448 -20.463 -20.198 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.989 -20.993 -19.553 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.441 -22.405 -21.743 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.989 -24.107 -20.021 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.291 -22.528 -19.589 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.789 -23.083 -18.805 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.049 -24.235 -21.370 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.932 -23.216 -20.208 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.857 -22.749 -21.923 1.00 0.00 H new ATOM 1221 N ARG A 78 -3.112 -18.090 -20.247 1.00 0.00 N ATOM 1222 CA ARG A 78 -3.709 -16.939 -19.582 1.00 0.00 C ATOM 1223 C ARG A 78 -4.499 -16.088 -20.572 1.00 0.00 C ATOM 1224 O ARG A 78 -5.481 -15.442 -20.207 1.00 0.00 O ATOM 1225 CB ARG A 78 -2.626 -16.090 -18.914 1.00 0.00 C ATOM 1226 CG ARG A 78 -1.675 -15.431 -19.900 1.00 0.00 C ATOM 1227 CD ARG A 78 -0.711 -14.488 -19.198 1.00 0.00 C ATOM 1228 NE ARG A 78 -0.402 -13.316 -20.012 1.00 0.00 N ATOM 1229 CZ ARG A 78 -1.216 -12.274 -20.140 1.00 0.00 C ATOM 1230 NH1 ARG A 78 -2.382 -12.258 -19.508 1.00 0.00 N ATOM 1231 NH2 ARG A 78 -0.864 -11.244 -20.899 1.00 0.00 N ATOM 0 H ARG A 78 -2.094 -18.126 -20.195 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.394 -17.308 -18.819 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.102 -15.318 -18.310 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.052 -16.718 -18.233 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.113 -16.198 -20.433 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.247 -14.879 -20.646 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.143 -14.167 -18.250 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.211 -15.020 -18.964 1.00 0.00 H new ATOM 0 HE ARG A 78 0.488 -13.296 -20.510 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.655 -13.047 -18.922 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.005 -11.457 -19.608 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.033 -11.252 -21.385 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.490 -10.445 -20.996 1.00 0.00 H new ATOM 1245 N LYS A 79 -4.063 -16.093 -21.827 1.00 0.00 N ATOM 1246 CA LYS A 79 -4.729 -15.323 -22.872 1.00 0.00 C ATOM 1247 C LYS A 79 -6.084 -15.932 -23.216 1.00 0.00 C ATOM 1248 O LYS A 79 -7.124 -15.304 -23.020 1.00 0.00 O ATOM 1249 CB LYS A 79 -3.852 -15.261 -24.125 1.00 0.00 C ATOM 1250 CG LYS A 79 -4.327 -14.245 -25.149 1.00 0.00 C ATOM 1251 CD LYS A 79 -3.297 -14.038 -26.247 1.00 0.00 C ATOM 1252 CE LYS A 79 -3.958 -13.857 -27.605 1.00 0.00 C ATOM 1253 NZ LYS A 79 -3.083 -13.115 -28.554 1.00 0.00 N ATOM 0 H LYS A 79 -3.251 -16.622 -22.146 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.890 -14.312 -22.498 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.830 -15.019 -23.832 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.825 -16.247 -24.589 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -5.266 -14.581 -25.588 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.529 -13.295 -24.654 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.690 -13.162 -26.017 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.623 -14.894 -26.281 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.201 -14.834 -28.023 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.898 -13.320 -27.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.570 -13.013 -29.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.871 -12.173 -28.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.196 -13.640 -28.691 1.00 0.00 H new ATOM 1267 N GLU A 80 -6.064 -17.158 -23.729 1.00 0.00 N ATOM 1268 CA GLU A 80 -7.293 -17.850 -24.100 1.00 0.00 C ATOM 1269 C GLU A 80 -8.261 -17.910 -22.921 1.00 0.00 C ATOM 1270 O GLU A 80 -9.478 -17.870 -23.101 1.00 0.00 O ATOM 1271 CB GLU A 80 -6.980 -19.266 -24.588 1.00 0.00 C ATOM 1272 CG GLU A 80 -6.022 -19.305 -25.767 1.00 0.00 C ATOM 1273 CD GLU A 80 -6.714 -19.651 -27.071 1.00 0.00 C ATOM 1274 OE1 GLU A 80 -7.930 -19.385 -27.184 1.00 0.00 O ATOM 1275 OE2 GLU A 80 -6.042 -20.186 -27.977 1.00 0.00 O ATOM 0 H GLU A 80 -5.211 -17.692 -23.897 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.765 -17.290 -24.908 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.553 -19.839 -23.765 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.911 -19.758 -24.870 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.534 -18.335 -25.866 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.239 -20.038 -25.570 1.00 0.00 H new ATOM 1282 N ALA A 81 -7.710 -18.005 -21.716 1.00 0.00 N ATOM 1283 CA ALA A 81 -8.523 -18.068 -20.507 1.00 0.00 C ATOM 1284 C ALA A 81 -9.491 -16.892 -20.435 1.00 0.00 C ATOM 1285 O ALA A 81 -10.680 -17.071 -20.172 1.00 0.00 O ATOM 1286 CB ALA A 81 -7.634 -18.099 -19.274 1.00 0.00 C ATOM 0 H ALA A 81 -6.704 -18.040 -21.550 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.110 -18.986 -20.541 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.255 -18.146 -18.379 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.987 -18.976 -19.314 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.022 -17.198 -19.244 1.00 0.00 H new ATOM 1292 N GLU A 82 -8.974 -15.690 -20.669 1.00 0.00 N ATOM 1293 CA GLU A 82 -9.794 -14.485 -20.628 1.00 0.00 C ATOM 1294 C GLU A 82 -10.808 -14.479 -21.768 1.00 0.00 C ATOM 1295 O GLU A 82 -11.910 -13.947 -21.629 1.00 0.00 O ATOM 1296 CB GLU A 82 -8.911 -13.238 -20.709 1.00 0.00 C ATOM 1297 CG GLU A 82 -8.006 -13.054 -19.502 1.00 0.00 C ATOM 1298 CD GLU A 82 -8.041 -11.640 -18.957 1.00 0.00 C ATOM 1299 OE1 GLU A 82 -9.002 -11.305 -18.235 1.00 0.00 O ATOM 1300 OE2 GLU A 82 -7.105 -10.867 -19.253 1.00 0.00 O ATOM 0 H GLU A 82 -7.992 -15.525 -20.889 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.336 -14.476 -19.682 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.297 -13.296 -21.608 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.547 -12.359 -20.813 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -8.306 -13.749 -18.718 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.983 -13.308 -19.778 1.00 0.00 H new ATOM 1307 N ILE A 83 -10.427 -15.072 -22.894 1.00 0.00 N ATOM 1308 CA ILE A 83 -11.303 -15.135 -24.058 1.00 0.00 C ATOM 1309 C ILE A 83 -12.504 -16.038 -23.794 1.00 0.00 C ATOM 1310 O ILE A 83 -13.637 -15.692 -24.125 1.00 0.00 O ATOM 1311 CB ILE A 83 -10.552 -15.648 -25.300 1.00 0.00 C ATOM 1312 CG1 ILE A 83 -9.354 -14.747 -25.607 1.00 0.00 C ATOM 1313 CG2 ILE A 83 -11.491 -15.717 -26.496 1.00 0.00 C ATOM 1314 CD1 ILE A 83 -8.425 -15.315 -26.657 1.00 0.00 C ATOM 0 H ILE A 83 -9.518 -15.516 -23.025 1.00 0.00 H new ATOM 0 HA ILE A 83 -11.650 -14.119 -24.247 1.00 0.00 H new ATOM 0 HB ILE A 83 -10.183 -16.653 -25.094 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.717 -13.775 -25.942 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -8.792 -14.578 -24.689 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -10.945 -16.081 -27.366 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -12.314 -16.396 -26.273 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -11.887 -14.723 -26.706 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.599 -14.624 -26.824 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -8.033 -16.273 -26.316 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.973 -15.458 -27.589 1.00 0.00 H new ATOM 1326 N GLU A 84 -12.246 -17.196 -23.195 1.00 0.00 N ATOM 1327 CA GLU A 84 -13.306 -18.148 -22.886 1.00 0.00 C ATOM 1328 C GLU A 84 -14.289 -17.559 -21.878 1.00 0.00 C ATOM 1329 O GLU A 84 -15.479 -17.875 -21.899 1.00 0.00 O ATOM 1330 CB GLU A 84 -12.712 -19.447 -22.336 1.00 0.00 C ATOM 1331 CG GLU A 84 -11.670 -20.074 -23.247 1.00 0.00 C ATOM 1332 CD GLU A 84 -11.918 -21.550 -23.488 1.00 0.00 C ATOM 1333 OE1 GLU A 84 -12.791 -21.876 -24.320 1.00 0.00 O ATOM 1334 OE2 GLU A 84 -11.241 -22.379 -22.844 1.00 0.00 O ATOM 0 H GLU A 84 -11.313 -17.497 -22.914 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.844 -18.365 -23.809 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.260 -19.247 -21.365 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.517 -20.163 -22.172 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.665 -19.549 -24.202 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.682 -19.943 -22.807 1.00 0.00 H new ATOM 1341 N TYR A 85 -13.784 -16.702 -20.999 1.00 0.00 N ATOM 1342 CA TYR A 85 -14.616 -16.071 -19.981 1.00 0.00 C ATOM 1343 C TYR A 85 -15.483 -14.974 -20.590 1.00 0.00 C ATOM 1344 O TYR A 85 -16.711 -15.032 -20.529 1.00 0.00 O ATOM 1345 CB TYR A 85 -13.743 -15.488 -18.868 1.00 0.00 C ATOM 1346 CG TYR A 85 -14.511 -14.646 -17.875 1.00 0.00 C ATOM 1347 CD1 TYR A 85 -15.294 -15.236 -16.892 1.00 0.00 C ATOM 1348 CD2 TYR A 85 -14.452 -13.258 -17.920 1.00 0.00 C ATOM 1349 CE1 TYR A 85 -15.998 -14.470 -15.983 1.00 0.00 C ATOM 1350 CE2 TYR A 85 -15.152 -12.484 -17.015 1.00 0.00 C ATOM 1351 CZ TYR A 85 -15.923 -13.094 -16.048 1.00 0.00 C ATOM 1352 OH TYR A 85 -16.622 -12.328 -15.144 1.00 0.00 O ATOM 0 H TYR A 85 -12.802 -16.428 -20.970 1.00 0.00 H new ATOM 0 HA TYR A 85 -15.270 -16.834 -19.558 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -13.253 -16.304 -18.337 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -12.956 -14.880 -19.315 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -15.354 -16.313 -16.837 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -13.849 -12.777 -18.675 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -16.604 -14.946 -15.226 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -15.096 -11.407 -17.065 1.00 0.00 H new ATOM 0 HH TYR A 85 -16.461 -11.379 -15.326 1.00 0.00 H new ATOM 1362 N ARG A 86 -14.834 -13.975 -21.179 1.00 0.00 N ATOM 1363 CA ARG A 86 -15.544 -12.863 -21.800 1.00 0.00 C ATOM 1364 C ARG A 86 -16.479 -13.360 -22.899 1.00 0.00 C ATOM 1365 O ARG A 86 -17.482 -12.720 -23.210 1.00 0.00 O ATOM 1366 CB ARG A 86 -14.551 -11.854 -22.378 1.00 0.00 C ATOM 1367 CG ARG A 86 -13.749 -12.393 -23.551 1.00 0.00 C ATOM 1368 CD ARG A 86 -14.300 -11.896 -24.878 1.00 0.00 C ATOM 1369 NE ARG A 86 -13.922 -10.511 -25.144 1.00 0.00 N ATOM 1370 CZ ARG A 86 -12.712 -10.145 -25.554 1.00 0.00 C ATOM 1371 NH1 ARG A 86 -11.769 -11.058 -25.746 1.00 0.00 N ATOM 1372 NH2 ARG A 86 -12.444 -8.865 -25.775 1.00 0.00 N ATOM 0 H ARG A 86 -13.818 -13.913 -21.239 1.00 0.00 H new ATOM 0 HA ARG A 86 -16.142 -12.373 -21.032 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -15.094 -10.965 -22.698 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -13.864 -11.542 -21.592 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.707 -12.088 -23.451 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.765 -13.483 -23.534 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.934 -12.533 -25.684 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -15.387 -11.981 -24.874 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.625 -9.785 -25.008 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.972 -12.044 -25.579 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.841 -10.774 -26.061 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.167 -8.160 -25.630 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.515 -8.585 -26.090 1.00 0.00 H new ATOM 1386 N GLU A 87 -16.140 -14.506 -23.483 1.00 0.00 N ATOM 1387 CA GLU A 87 -16.948 -15.087 -24.548 1.00 0.00 C ATOM 1388 C GLU A 87 -18.379 -15.329 -24.075 1.00 0.00 C ATOM 1389 O GLU A 87 -19.318 -14.693 -24.554 1.00 0.00 O ATOM 1390 CB GLU A 87 -16.329 -16.402 -25.028 1.00 0.00 C ATOM 1391 CG GLU A 87 -15.494 -16.256 -26.289 1.00 0.00 C ATOM 1392 CD GLU A 87 -16.079 -17.010 -27.467 1.00 0.00 C ATOM 1393 OE1 GLU A 87 -16.899 -16.418 -28.200 1.00 0.00 O ATOM 1394 OE2 GLU A 87 -15.718 -18.190 -27.656 1.00 0.00 O ATOM 0 H GLU A 87 -15.313 -15.049 -23.236 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.972 -14.380 -25.378 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.704 -16.811 -24.234 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -17.125 -17.123 -25.211 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -15.410 -15.200 -26.544 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -14.484 -16.619 -26.096 1.00 0.00 H new ATOM 1401 N ARG A 88 -18.536 -16.253 -23.133 1.00 0.00 N ATOM 1402 CA ARG A 88 -19.852 -16.580 -22.596 1.00 0.00 C ATOM 1403 C ARG A 88 -20.516 -15.346 -21.993 1.00 0.00 C ATOM 1404 O ARG A 88 -21.743 -15.250 -21.940 1.00 0.00 O ATOM 1405 CB ARG A 88 -19.735 -17.679 -21.538 1.00 0.00 C ATOM 1406 CG ARG A 88 -18.769 -17.342 -20.414 1.00 0.00 C ATOM 1407 CD ARG A 88 -19.066 -18.153 -19.162 1.00 0.00 C ATOM 1408 NE ARG A 88 -19.012 -17.334 -17.954 1.00 0.00 N ATOM 1409 CZ ARG A 88 -18.893 -17.837 -16.731 1.00 0.00 C ATOM 1410 NH1 ARG A 88 -18.814 -19.149 -16.554 1.00 0.00 N ATOM 1411 NH2 ARG A 88 -18.851 -17.027 -15.680 1.00 0.00 N ATOM 0 H ARG A 88 -17.769 -16.788 -22.726 1.00 0.00 H new ATOM 0 HA ARG A 88 -20.473 -16.940 -23.417 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -20.721 -17.869 -21.114 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -19.411 -18.602 -22.019 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -17.747 -17.536 -20.741 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -18.834 -16.279 -20.184 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -20.054 -18.606 -19.249 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -18.348 -18.969 -19.079 1.00 0.00 H new ATOM 0 HE ARG A 88 -19.069 -16.321 -18.055 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -18.845 -19.775 -17.359 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -18.723 -19.532 -15.613 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -18.910 -16.017 -15.812 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -18.760 -17.414 -14.741 1.00 0.00 H new ATOM 1425 N LEU A 89 -19.697 -14.404 -21.537 1.00 0.00 N ATOM 1426 CA LEU A 89 -20.204 -13.175 -20.937 1.00 0.00 C ATOM 1427 C LEU A 89 -21.206 -12.490 -21.861 1.00 0.00 C ATOM 1428 O LEU A 89 -22.173 -11.880 -21.403 1.00 0.00 O ATOM 1429 CB LEU A 89 -19.049 -12.222 -20.623 1.00 0.00 C ATOM 1430 CG LEU A 89 -18.894 -11.814 -19.158 1.00 0.00 C ATOM 1431 CD1 LEU A 89 -18.159 -12.893 -18.378 1.00 0.00 C ATOM 1432 CD2 LEU A 89 -18.164 -10.483 -19.049 1.00 0.00 C ATOM 0 H LEU A 89 -18.680 -14.468 -21.571 1.00 0.00 H new ATOM 0 HA LEU A 89 -20.713 -13.437 -20.010 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -18.120 -12.689 -20.949 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -19.178 -11.319 -21.219 1.00 0.00 H new ATOM 0 HG LEU A 89 -19.888 -11.696 -18.727 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -18.058 -12.585 -17.337 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -18.722 -13.825 -18.427 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -17.169 -13.044 -18.809 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -18.063 -10.208 -17.999 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -17.175 -10.573 -19.498 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -18.731 -9.713 -19.572 1.00 0.00 H new ATOM 1444 N PHE A 90 -20.970 -12.597 -23.164 1.00 0.00 N ATOM 1445 CA PHE A 90 -21.853 -11.989 -24.153 1.00 0.00 C ATOM 1446 C PHE A 90 -23.205 -12.695 -24.182 1.00 0.00 C ATOM 1447 O PHE A 90 -24.246 -12.059 -24.346 1.00 0.00 O ATOM 1448 CB PHE A 90 -21.209 -12.038 -25.541 1.00 0.00 C ATOM 1449 CG PHE A 90 -20.825 -10.687 -26.071 1.00 0.00 C ATOM 1450 CD1 PHE A 90 -19.576 -10.151 -25.800 1.00 0.00 C ATOM 1451 CD2 PHE A 90 -21.712 -9.952 -26.840 1.00 0.00 C ATOM 1452 CE1 PHE A 90 -19.218 -8.908 -26.287 1.00 0.00 C ATOM 1453 CE2 PHE A 90 -21.360 -8.708 -27.330 1.00 0.00 C ATOM 1454 CZ PHE A 90 -20.113 -8.185 -27.052 1.00 0.00 C ATOM 0 H PHE A 90 -20.175 -13.099 -23.560 1.00 0.00 H new ATOM 0 HA PHE A 90 -22.013 -10.948 -23.870 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -20.321 -12.669 -25.499 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -21.902 -12.509 -26.238 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -18.874 -10.712 -25.201 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -22.690 -10.355 -27.059 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -18.241 -8.503 -26.070 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -22.060 -8.146 -27.930 1.00 0.00 H new ATOM 0 HZ PHE A 90 -19.837 -7.212 -27.432 1.00 0.00 H new ATOM 1464 N ARG A 91 -23.181 -14.014 -24.023 1.00 0.00 N ATOM 1465 CA ARG A 91 -24.404 -14.808 -24.032 1.00 0.00 C ATOM 1466 C ARG A 91 -25.234 -14.542 -22.780 1.00 0.00 C ATOM 1467 O ARG A 91 -26.463 -14.532 -22.829 1.00 0.00 O ATOM 1468 CB ARG A 91 -24.070 -16.297 -24.129 1.00 0.00 C ATOM 1469 CG ARG A 91 -24.317 -16.888 -25.508 1.00 0.00 C ATOM 1470 CD ARG A 91 -23.041 -16.924 -26.335 1.00 0.00 C ATOM 1471 NE ARG A 91 -23.305 -17.256 -27.733 1.00 0.00 N ATOM 1472 CZ ARG A 91 -22.357 -17.338 -28.660 1.00 0.00 C ATOM 1473 NH1 ARG A 91 -21.090 -17.114 -28.339 1.00 0.00 N ATOM 1474 NH2 ARG A 91 -22.676 -17.645 -29.911 1.00 0.00 N ATOM 0 H ARG A 91 -22.328 -14.556 -23.886 1.00 0.00 H new ATOM 0 HA ARG A 91 -24.990 -14.517 -24.904 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -23.023 -16.444 -23.862 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -24.665 -16.843 -23.397 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -24.715 -17.898 -25.406 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -25.072 -16.299 -26.028 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -22.546 -15.955 -26.280 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -22.355 -17.657 -25.911 1.00 0.00 H new ATOM 0 HE ARG A 91 -24.270 -17.435 -28.012 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -20.841 -16.878 -27.378 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -20.364 -17.178 -29.053 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -23.650 -17.818 -30.161 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -21.948 -17.708 -30.622 1.00 0.00 H new ATOM 1488 N ASN A 92 -24.553 -14.328 -21.659 1.00 0.00 N ATOM 1489 CA ASN A 92 -25.227 -14.064 -20.393 1.00 0.00 C ATOM 1490 C ASN A 92 -25.909 -12.699 -20.415 1.00 0.00 C ATOM 1491 O ASN A 92 -26.895 -12.476 -19.712 1.00 0.00 O ATOM 1492 CB ASN A 92 -24.228 -14.129 -19.236 1.00 0.00 C ATOM 1493 CG ASN A 92 -24.913 -14.178 -17.883 1.00 0.00 C ATOM 1494 OD1 ASN A 92 -24.840 -13.228 -17.104 1.00 0.00 O ATOM 1495 ND2 ASN A 92 -25.582 -15.289 -17.599 1.00 0.00 N ATOM 0 H ASN A 92 -23.535 -14.332 -21.602 1.00 0.00 H new ATOM 0 HA ASN A 92 -25.989 -14.830 -20.249 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -23.597 -15.010 -19.353 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -23.572 -13.260 -19.277 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -26.063 -15.380 -16.704 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -25.615 -16.051 -18.276 1.00 0.00 H new ATOM 1502 N GLN A 93 -25.377 -11.791 -21.226 1.00 0.00 N ATOM 1503 CA GLN A 93 -25.935 -10.448 -21.339 1.00 0.00 C ATOM 1504 C GLN A 93 -27.259 -10.471 -22.096 1.00 0.00 C ATOM 1505 O GLN A 93 -28.191 -9.739 -21.761 1.00 0.00 O ATOM 1506 CB GLN A 93 -24.946 -9.520 -22.047 1.00 0.00 C ATOM 1507 CG GLN A 93 -25.123 -8.054 -21.686 1.00 0.00 C ATOM 1508 CD GLN A 93 -24.710 -7.749 -20.260 1.00 0.00 C ATOM 1509 OE1 GLN A 93 -25.539 -7.736 -19.350 1.00 0.00 O ATOM 1510 NE2 GLN A 93 -23.421 -7.503 -20.057 1.00 0.00 N ATOM 0 H GLN A 93 -24.561 -11.960 -21.814 1.00 0.00 H new ATOM 0 HA GLN A 93 -26.119 -10.072 -20.332 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -23.930 -9.827 -21.798 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -25.059 -9.636 -23.125 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -24.534 -7.442 -22.369 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -26.167 -7.773 -21.826 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -22.768 -7.524 -20.840 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -23.084 -7.293 -19.118 1.00 0.00 H new ATOM 1519 N LYS A 94 -27.336 -11.315 -23.118 1.00 0.00 N ATOM 1520 CA LYS A 94 -28.546 -11.435 -23.923 1.00 0.00 C ATOM 1521 C LYS A 94 -28.405 -12.549 -24.956 1.00 0.00 C ATOM 1522 O LYS A 94 -27.400 -12.629 -25.662 1.00 0.00 O ATOM 1523 CB LYS A 94 -28.850 -10.109 -24.625 1.00 0.00 C ATOM 1524 CG LYS A 94 -30.327 -9.894 -24.906 1.00 0.00 C ATOM 1525 CD LYS A 94 -30.542 -9.128 -26.201 1.00 0.00 C ATOM 1526 CE LYS A 94 -31.594 -8.041 -26.036 1.00 0.00 C ATOM 1527 NZ LYS A 94 -32.976 -8.586 -26.143 1.00 0.00 N ATOM 0 H LYS A 94 -26.574 -11.927 -23.409 1.00 0.00 H new ATOM 0 HA LYS A 94 -29.372 -11.684 -23.257 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -28.483 -9.289 -24.008 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -28.301 -10.071 -25.566 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -30.831 -10.858 -24.965 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -30.780 -9.347 -24.079 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -29.601 -8.680 -26.521 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -30.850 -9.818 -26.987 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -31.468 -7.558 -25.067 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -31.446 -7.274 -26.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -33.663 -7.815 -26.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -33.105 -9.025 -27.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -33.126 -9.300 -25.402 1.00 0.00 H new ATOM 1541 N ILE A 95 -29.419 -13.404 -25.040 1.00 0.00 N ATOM 1542 CA ILE A 95 -29.408 -14.510 -25.988 1.00 0.00 C ATOM 1543 C ILE A 95 -29.175 -14.013 -27.411 1.00 0.00 C ATOM 1544 O ILE A 95 -28.648 -14.738 -28.256 1.00 0.00 O ATOM 1545 CB ILE A 95 -30.727 -15.303 -25.944 1.00 0.00 C ATOM 1546 CG1 ILE A 95 -30.633 -16.543 -26.835 1.00 0.00 C ATOM 1547 CG2 ILE A 95 -31.890 -14.421 -26.375 1.00 0.00 C ATOM 1548 CD1 ILE A 95 -31.202 -17.791 -26.197 1.00 0.00 C ATOM 0 H ILE A 95 -30.258 -13.351 -24.463 1.00 0.00 H new ATOM 0 HA ILE A 95 -28.588 -15.167 -25.696 1.00 0.00 H new ATOM 0 HB ILE A 95 -30.904 -15.629 -24.919 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -31.160 -16.350 -27.769 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -29.588 -16.719 -27.089 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -32.815 -14.996 -26.339 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -31.967 -13.566 -25.703 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -31.722 -14.068 -27.393 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -31.101 -18.630 -26.886 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -30.659 -18.009 -25.277 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -32.256 -17.634 -25.968 1.00 0.00 H new ATOM 1560 N LEU A 96 -29.568 -12.770 -27.669 1.00 0.00 N ATOM 1561 CA LEU A 96 -29.400 -12.173 -28.989 1.00 0.00 C ATOM 1562 C LEU A 96 -30.152 -12.974 -30.048 1.00 0.00 C ATOM 1563 O LEU A 96 -29.634 -13.220 -31.138 1.00 0.00 O ATOM 1564 CB LEU A 96 -27.916 -12.096 -29.351 1.00 0.00 C ATOM 1565 CG LEU A 96 -27.492 -10.891 -30.192 1.00 0.00 C ATOM 1566 CD1 LEU A 96 -26.170 -10.330 -29.694 1.00 0.00 C ATOM 1567 CD2 LEU A 96 -27.391 -11.276 -31.661 1.00 0.00 C ATOM 0 H LEU A 96 -30.005 -12.156 -26.981 1.00 0.00 H new ATOM 0 HA LEU A 96 -29.813 -11.165 -28.960 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -27.337 -12.091 -28.427 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -27.647 -13.004 -29.891 1.00 0.00 H new ATOM 0 HG LEU A 96 -28.252 -10.116 -30.091 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -25.885 -9.473 -30.305 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -26.276 -10.016 -28.656 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -25.400 -11.098 -29.764 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -27.088 -10.407 -32.245 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -26.652 -12.068 -31.780 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -28.361 -11.629 -32.012 1.00 0.00 H new ATOM 1579 N ARG A 97 -31.376 -13.376 -29.721 1.00 0.00 N ATOM 1580 CA ARG A 97 -32.199 -14.147 -30.644 1.00 0.00 C ATOM 1581 C ARG A 97 -33.682 -13.875 -30.408 1.00 0.00 C ATOM 1582 O ARG A 97 -34.148 -13.872 -29.269 1.00 0.00 O ATOM 1583 CB ARG A 97 -31.913 -15.642 -30.489 1.00 0.00 C ATOM 1584 CG ARG A 97 -31.957 -16.410 -31.800 1.00 0.00 C ATOM 1585 CD ARG A 97 -31.445 -17.832 -31.630 1.00 0.00 C ATOM 1586 NE ARG A 97 -30.216 -18.065 -32.383 1.00 0.00 N ATOM 1587 CZ ARG A 97 -29.615 -19.247 -32.460 1.00 0.00 C ATOM 1588 NH1 ARG A 97 -30.127 -20.297 -31.834 1.00 0.00 N ATOM 1589 NH2 ARG A 97 -28.499 -19.380 -33.166 1.00 0.00 N ATOM 0 H ARG A 97 -31.819 -13.180 -28.823 1.00 0.00 H new ATOM 0 HA ARG A 97 -31.948 -13.839 -31.659 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -30.930 -15.770 -30.036 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -32.640 -16.073 -29.801 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -32.980 -16.433 -32.175 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -31.355 -15.892 -32.547 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -31.265 -18.029 -30.573 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -32.211 -18.535 -31.959 1.00 0.00 H new ATOM 0 HE ARG A 97 -29.796 -17.277 -32.877 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -30.985 -20.199 -31.291 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -29.663 -21.203 -31.895 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -28.102 -18.574 -33.650 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -28.038 -20.288 -33.225 1.00 0.00 H new ATOM 1603 N GLU A 98 -34.416 -13.647 -31.492 1.00 0.00 N ATOM 1604 CA GLU A 98 -35.846 -13.372 -31.402 1.00 0.00 C ATOM 1605 C GLU A 98 -36.589 -13.956 -32.600 1.00 0.00 C ATOM 1606 O GLU A 98 -36.384 -13.533 -33.738 1.00 0.00 O ATOM 1607 CB GLU A 98 -36.094 -11.865 -31.320 1.00 0.00 C ATOM 1608 CG GLU A 98 -35.256 -11.167 -30.261 1.00 0.00 C ATOM 1609 CD GLU A 98 -35.401 -9.658 -30.304 1.00 0.00 C ATOM 1610 OE1 GLU A 98 -35.695 -9.120 -31.391 1.00 0.00 O ATOM 1611 OE2 GLU A 98 -35.220 -9.015 -29.248 1.00 0.00 O ATOM 0 H GLU A 98 -34.045 -13.647 -32.442 1.00 0.00 H new ATOM 0 HA GLU A 98 -36.224 -13.845 -30.496 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -35.884 -11.417 -32.291 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -37.149 -11.690 -31.110 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -35.548 -11.528 -29.275 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -34.208 -11.432 -30.400 1.00 0.00 H new ATOM 1618 N TYR A 99 -37.451 -14.932 -32.335 1.00 0.00 N ATOM 1619 CA TYR A 99 -38.222 -15.577 -33.391 1.00 0.00 C ATOM 1620 C TYR A 99 -37.302 -16.241 -34.410 1.00 0.00 C ATOM 1621 O TYR A 99 -36.080 -16.118 -34.332 1.00 0.00 O ATOM 1622 CB TYR A 99 -39.123 -14.557 -34.089 1.00 0.00 C ATOM 1623 CG TYR A 99 -39.956 -13.730 -33.135 1.00 0.00 C ATOM 1624 CD1 TYR A 99 -41.119 -14.242 -32.575 1.00 0.00 C ATOM 1625 CD2 TYR A 99 -39.577 -12.438 -32.793 1.00 0.00 C ATOM 1626 CE1 TYR A 99 -41.883 -13.490 -31.703 1.00 0.00 C ATOM 1627 CE2 TYR A 99 -40.334 -11.679 -31.921 1.00 0.00 C ATOM 1628 CZ TYR A 99 -41.486 -12.210 -31.379 1.00 0.00 C ATOM 1629 OH TYR A 99 -42.244 -11.458 -30.510 1.00 0.00 O ATOM 0 H TYR A 99 -37.633 -15.293 -31.399 1.00 0.00 H new ATOM 0 HA TYR A 99 -38.843 -16.347 -32.933 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -38.505 -13.890 -34.690 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -39.787 -15.082 -34.776 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -41.432 -15.245 -32.825 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -38.676 -12.020 -33.216 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -42.786 -13.903 -31.278 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -40.026 -10.676 -31.665 1.00 0.00 H new ATOM 0 HH TYR A 99 -41.826 -10.580 -30.386 1.00 0.00 H new ATOM 1639 N ARG A 100 -37.899 -16.944 -35.367 1.00 0.00 N ATOM 1640 CA ARG A 100 -37.134 -17.629 -36.402 1.00 0.00 C ATOM 1641 C ARG A 100 -37.941 -17.735 -37.693 1.00 0.00 C ATOM 1642 O ARG A 100 -38.980 -18.394 -37.735 1.00 0.00 O ATOM 1643 CB ARG A 100 -36.727 -19.025 -35.926 1.00 0.00 C ATOM 1644 CG ARG A 100 -37.856 -19.795 -35.260 1.00 0.00 C ATOM 1645 CD ARG A 100 -37.882 -19.556 -33.759 1.00 0.00 C ATOM 1646 NE ARG A 100 -37.296 -20.670 -33.017 1.00 0.00 N ATOM 1647 CZ ARG A 100 -37.872 -21.861 -32.904 1.00 0.00 C ATOM 1648 NH1 ARG A 100 -39.043 -22.093 -33.482 1.00 0.00 N ATOM 1649 NH2 ARG A 100 -37.277 -22.825 -32.213 1.00 0.00 N ATOM 0 H ARG A 100 -38.910 -17.054 -35.447 1.00 0.00 H new ATOM 0 HA ARG A 100 -36.236 -17.045 -36.602 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -36.361 -19.598 -36.778 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -35.898 -18.933 -35.224 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -38.809 -19.494 -35.694 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -37.738 -20.860 -35.458 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -37.337 -18.640 -33.528 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -38.911 -19.405 -33.434 1.00 0.00 H new ATOM 0 HE ARG A 100 -36.395 -20.525 -32.561 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -39.504 -21.355 -34.015 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -39.483 -23.009 -33.393 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -36.376 -22.652 -31.768 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -37.721 -23.739 -32.127 1.00 0.00 H new ATOM 1663 N ASP A 101 -37.456 -17.083 -38.743 1.00 0.00 N ATOM 1664 CA ASP A 101 -38.131 -17.104 -40.036 1.00 0.00 C ATOM 1665 C ASP A 101 -39.567 -16.605 -39.907 1.00 0.00 C ATOM 1666 O ASP A 101 -40.502 -17.248 -40.385 1.00 0.00 O ATOM 1667 CB ASP A 101 -38.119 -18.518 -40.618 1.00 0.00 C ATOM 1668 CG ASP A 101 -36.812 -19.241 -40.358 1.00 0.00 C ATOM 1669 OD1 ASP A 101 -35.825 -18.954 -41.068 1.00 0.00 O ATOM 1670 OD2 ASP A 101 -36.776 -20.093 -39.446 1.00 0.00 O ATOM 0 H ASP A 101 -36.597 -16.533 -38.725 1.00 0.00 H new ATOM 0 HA ASP A 101 -37.593 -16.438 -40.710 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -38.940 -19.092 -40.188 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -38.295 -18.467 -41.693 1.00 0.00 H new TER 1675 ASP A 101