USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 715 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 ASN : amide:sc= 0.736 K(o=-2.3,f=-10!) USER MOD Set 1.2: A 16 HIS : no HD1:sc= -3.01! C(o=-2.3!,f=-3!) USER MOD Set 1.3: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 VAL N :NH3+ -143:sc= -0.104 (180deg=-1.29) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -19:sc= 0.155! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -160:sc= -1.11 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HE2:sc= -4.03! C(o=-4!,f=-8.8!) USER MOD Single : A 38 SER OG : rot 105:sc= 0.173 USER MOD Single : A 44 MET CE :methyl -126:sc= -0.835 (180deg=-5.47!) USER MOD Single : A 45 THR OG1 : rot 109:sc= 1.15 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 128:sc= 1.03! USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 65 ASN : amide:sc= -3.95! C(o=-3.9!,f=-2.9!) USER MOD Single : A 70 THR OG1 : rot 52:sc= -0.422 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 145:sc= -0.215 (180deg=-2.81!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -2.29 X(o=-2.3,f=-2!) USER MOD Single : A 85 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0259) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 30:sc= 0.885 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -0.003 15.602 24.051 1.00 0.00 N ATOM 2 CA VAL A 1 1.084 14.723 24.567 1.00 0.00 C ATOM 3 C VAL A 1 2.189 15.568 25.188 1.00 0.00 C ATOM 4 O VAL A 1 3.244 15.766 24.584 1.00 0.00 O ATOM 5 CB VAL A 1 1.664 13.859 23.453 1.00 0.00 C ATOM 6 CG1 VAL A 1 2.735 12.923 24.006 1.00 0.00 C ATOM 7 CG2 VAL A 1 0.561 13.061 22.764 1.00 0.00 C ATOM 0 H1 VAL A 1 -0.924 15.147 24.213 1.00 0.00 H new ATOM 0 H2 VAL A 1 0.024 16.515 24.548 1.00 0.00 H new ATOM 0 H3 VAL A 1 0.131 15.758 23.032 1.00 0.00 H new ATOM 0 HA VAL A 1 0.657 14.068 25.326 1.00 0.00 H new ATOM 0 HB VAL A 1 2.126 14.514 22.715 1.00 0.00 H new ATOM 0 HG11 VAL A 1 3.138 12.314 23.197 1.00 0.00 H new ATOM 0 HG12 VAL A 1 3.537 13.511 24.452 1.00 0.00 H new ATOM 0 HG13 VAL A 1 2.296 12.275 24.764 1.00 0.00 H new ATOM 0 HG21 VAL A 1 0.994 12.450 21.972 1.00 0.00 H new ATOM 0 HG22 VAL A 1 0.070 12.416 23.492 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -0.170 13.746 22.335 1.00 0.00 H new ATOM 19 N PRO A 2 1.962 16.079 26.410 1.00 0.00 N ATOM 20 CA PRO A 2 2.947 16.909 27.117 1.00 0.00 C ATOM 21 C PRO A 2 4.102 16.081 27.669 1.00 0.00 C ATOM 22 O PRO A 2 3.895 15.000 28.221 1.00 0.00 O ATOM 23 CB PRO A 2 2.149 17.543 28.248 1.00 0.00 C ATOM 24 CG PRO A 2 1.003 16.618 28.496 1.00 0.00 C ATOM 25 CD PRO A 2 0.732 15.889 27.201 1.00 0.00 C ATOM 0 HA PRO A 2 3.410 17.642 26.456 1.00 0.00 H new ATOM 0 HB2 PRO A 2 2.761 17.659 29.143 1.00 0.00 H new ATOM 0 HB3 PRO A 2 1.798 18.537 27.971 1.00 0.00 H new ATOM 0 HG2 PRO A 2 1.242 15.913 29.292 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.122 17.174 28.817 1.00 0.00 H new ATOM 0 HD2 PRO A 2 0.530 14.832 27.375 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -0.138 16.300 26.688 1.00 0.00 H new ATOM 33 N LYS A 3 5.319 16.594 27.515 1.00 0.00 N ATOM 34 CA LYS A 3 6.508 15.898 27.997 1.00 0.00 C ATOM 35 C LYS A 3 7.603 16.894 28.355 1.00 0.00 C ATOM 36 O LYS A 3 8.346 17.354 27.488 1.00 0.00 O ATOM 37 CB LYS A 3 7.013 14.933 26.929 1.00 0.00 C ATOM 38 CG LYS A 3 5.887 14.042 26.415 1.00 0.00 C ATOM 39 CD LYS A 3 6.404 13.033 25.394 1.00 0.00 C ATOM 40 CE LYS A 3 6.947 11.783 26.081 1.00 0.00 C ATOM 41 NZ LYS A 3 6.872 10.596 25.184 1.00 0.00 N ATOM 0 H LYS A 3 5.508 17.488 27.061 1.00 0.00 H new ATOM 0 HA LYS A 3 6.243 15.337 28.893 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.442 15.496 26.100 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.810 14.315 27.341 1.00 0.00 H new ATOM 0 HG2 LYS A 3 5.427 13.515 27.251 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.111 14.658 25.961 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.600 12.756 24.712 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.189 13.490 24.792 1.00 0.00 H new ATOM 0 HE2 LYS A 3 7.982 11.950 26.380 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.379 11.590 26.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.248 9.762 25.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.881 10.423 24.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.434 10.772 24.327 1.00 0.00 H new ATOM 55 N VAL A 4 7.702 17.219 29.640 1.00 0.00 N ATOM 56 CA VAL A 4 8.711 18.156 30.119 1.00 0.00 C ATOM 57 C VAL A 4 9.584 17.494 31.175 1.00 0.00 C ATOM 58 O VAL A 4 9.426 16.310 31.473 1.00 0.00 O ATOM 59 CB VAL A 4 8.041 19.394 30.708 1.00 0.00 C ATOM 60 CG1 VAL A 4 7.305 20.174 29.623 1.00 0.00 C ATOM 61 CG2 VAL A 4 7.086 19.000 31.830 1.00 0.00 C ATOM 0 H VAL A 4 7.094 16.846 30.369 1.00 0.00 H new ATOM 0 HA VAL A 4 9.336 18.455 29.277 1.00 0.00 H new ATOM 0 HB VAL A 4 8.814 20.039 31.126 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.834 21.053 30.063 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.013 20.487 28.856 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.541 19.540 29.174 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.617 19.895 32.239 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.318 18.334 31.437 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.640 18.489 32.617 1.00 0.00 H new ATOM 71 N THR A 5 10.502 18.266 31.741 1.00 0.00 N ATOM 72 CA THR A 5 11.401 17.758 32.769 1.00 0.00 C ATOM 73 C THR A 5 12.008 18.909 33.559 1.00 0.00 C ATOM 74 O THR A 5 12.412 19.923 32.989 1.00 0.00 O ATOM 75 CB THR A 5 12.509 16.926 32.133 1.00 0.00 C ATOM 76 OG1 THR A 5 12.682 17.303 30.776 1.00 0.00 O ATOM 77 CG2 THR A 5 12.190 15.436 32.226 1.00 0.00 C ATOM 0 H THR A 5 10.644 19.248 31.505 1.00 0.00 H new ATOM 0 HA THR A 5 10.828 17.128 33.449 1.00 0.00 H new ATOM 0 HB THR A 5 13.435 17.113 32.677 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.397 16.765 30.376 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.994 14.862 31.766 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.093 15.149 33.273 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.254 15.231 31.706 1.00 0.00 H new ATOM 85 N PHE A 6 12.072 18.742 34.874 1.00 0.00 N ATOM 86 CA PHE A 6 12.633 19.762 35.751 1.00 0.00 C ATOM 87 C PHE A 6 13.995 19.314 36.264 1.00 0.00 C ATOM 88 O PHE A 6 14.383 18.159 36.090 1.00 0.00 O ATOM 89 CB PHE A 6 11.689 20.015 36.922 1.00 0.00 C ATOM 90 CG PHE A 6 10.376 20.626 36.497 1.00 0.00 C ATOM 91 CD1 PHE A 6 9.466 19.880 35.763 1.00 0.00 C ATOM 92 CD2 PHE A 6 10.079 21.934 36.841 1.00 0.00 C ATOM 93 CE1 PHE A 6 8.262 20.443 35.375 1.00 0.00 C ATOM 94 CE2 PHE A 6 8.874 22.497 36.452 1.00 0.00 C ATOM 95 CZ PHE A 6 7.966 21.751 35.720 1.00 0.00 C ATOM 0 H PHE A 6 11.741 17.907 35.358 1.00 0.00 H new ATOM 0 HA PHE A 6 12.755 20.688 35.189 1.00 0.00 H new ATOM 0 HB2 PHE A 6 11.496 19.074 37.437 1.00 0.00 H new ATOM 0 HB3 PHE A 6 12.176 20.676 37.639 1.00 0.00 H new ATOM 0 HD1 PHE A 6 9.697 18.860 35.494 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.787 22.516 37.413 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.554 19.862 34.803 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.643 23.518 36.720 1.00 0.00 H new ATOM 0 HZ PHE A 6 7.026 22.189 35.418 1.00 0.00 H new ATOM 105 N THR A 7 14.720 20.230 36.896 1.00 0.00 N ATOM 106 CA THR A 7 16.042 19.918 37.429 1.00 0.00 C ATOM 107 C THR A 7 16.460 20.957 38.459 1.00 0.00 C ATOM 108 O THR A 7 16.853 22.070 38.111 1.00 0.00 O ATOM 109 CB THR A 7 17.062 19.868 36.296 1.00 0.00 C ATOM 110 OG1 THR A 7 16.635 18.953 35.299 1.00 0.00 O ATOM 111 CG2 THR A 7 18.436 19.464 36.822 1.00 0.00 C ATOM 0 H THR A 7 14.417 21.191 37.052 1.00 0.00 H new ATOM 0 HA THR A 7 16.000 18.943 37.915 1.00 0.00 H new ATOM 0 HB THR A 7 17.140 20.863 35.859 1.00 0.00 H new ATOM 0 HG1 THR A 7 15.964 18.347 35.677 1.00 0.00 H new ATOM 0 HG21 THR A 7 19.147 19.435 35.997 1.00 0.00 H new ATOM 0 HG22 THR A 7 18.770 20.190 37.563 1.00 0.00 H new ATOM 0 HG23 THR A 7 18.374 18.478 37.282 1.00 0.00 H new ATOM 119 N VAL A 8 16.374 20.585 39.730 1.00 0.00 N ATOM 120 CA VAL A 8 16.743 21.481 40.819 1.00 0.00 C ATOM 121 C VAL A 8 18.151 22.023 40.605 1.00 0.00 C ATOM 122 O VAL A 8 19.134 21.405 41.012 1.00 0.00 O ATOM 123 CB VAL A 8 16.664 20.737 42.148 1.00 0.00 C ATOM 124 CG1 VAL A 8 16.899 21.692 43.314 1.00 0.00 C ATOM 125 CG2 VAL A 8 15.312 20.044 42.287 1.00 0.00 C ATOM 0 H VAL A 8 16.051 19.666 40.033 1.00 0.00 H new ATOM 0 HA VAL A 8 16.047 22.320 40.837 1.00 0.00 H new ATOM 0 HB VAL A 8 17.446 19.978 42.166 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.838 21.142 44.253 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.887 22.144 43.221 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.140 22.474 43.302 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.270 19.517 43.240 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.516 20.788 42.248 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.183 19.331 41.472 1.00 0.00 H new ATOM 135 N GLU A 9 18.241 23.183 39.960 1.00 0.00 N ATOM 136 CA GLU A 9 19.529 23.812 39.686 1.00 0.00 C ATOM 137 C GLU A 9 20.272 24.096 40.982 1.00 0.00 C ATOM 138 O GLU A 9 19.687 24.073 42.065 1.00 0.00 O ATOM 139 CB GLU A 9 19.320 25.111 38.914 1.00 0.00 C ATOM 140 CG GLU A 9 19.625 24.923 37.433 1.00 0.00 C ATOM 141 CD GLU A 9 20.585 26.001 36.948 1.00 0.00 C ATOM 142 OE1 GLU A 9 20.402 27.177 37.330 1.00 0.00 O ATOM 143 OE2 GLU A 9 21.518 25.669 36.187 1.00 0.00 O ATOM 0 H GLU A 9 17.436 23.707 39.617 1.00 0.00 H new ATOM 0 HA GLU A 9 20.127 23.128 39.084 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.291 25.449 39.037 1.00 0.00 H new ATOM 0 HB3 GLU A 9 19.963 25.890 39.325 1.00 0.00 H new ATOM 0 HG2 GLU A 9 20.061 23.938 37.267 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.701 24.964 36.857 1.00 0.00 H new ATOM 150 N LYS A 10 21.568 24.367 40.865 1.00 0.00 N ATOM 151 CA LYS A 10 22.398 24.660 42.028 1.00 0.00 C ATOM 152 C LYS A 10 22.318 26.140 42.374 1.00 0.00 C ATOM 153 O LYS A 10 23.325 26.849 42.353 1.00 0.00 O ATOM 154 CB LYS A 10 23.846 24.266 41.750 1.00 0.00 C ATOM 155 CG LYS A 10 24.356 24.897 40.457 1.00 0.00 C ATOM 156 CD LYS A 10 25.829 25.280 40.572 1.00 0.00 C ATOM 157 CE LYS A 10 26.580 24.983 39.278 1.00 0.00 C ATOM 158 NZ LYS A 10 27.882 25.706 39.228 1.00 0.00 N ATOM 0 H LYS A 10 22.067 24.390 39.975 1.00 0.00 H new ATOM 0 HA LYS A 10 22.029 24.082 42.875 1.00 0.00 H new ATOM 0 HB2 LYS A 10 24.476 24.579 42.583 1.00 0.00 H new ATOM 0 HB3 LYS A 10 23.923 23.181 41.682 1.00 0.00 H new ATOM 0 HG2 LYS A 10 24.223 24.198 39.631 1.00 0.00 H new ATOM 0 HG3 LYS A 10 23.765 25.782 40.224 1.00 0.00 H new ATOM 0 HD2 LYS A 10 25.914 26.340 40.809 1.00 0.00 H new ATOM 0 HD3 LYS A 10 26.287 24.731 41.395 1.00 0.00 H new ATOM 0 HE2 LYS A 10 26.754 23.910 39.194 1.00 0.00 H new ATOM 0 HE3 LYS A 10 25.967 25.274 38.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 28.369 25.483 38.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 27.712 26.731 39.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 28.475 25.409 40.029 1.00 0.00 H new ATOM 172 N GLY A 11 21.114 26.602 42.694 1.00 0.00 N ATOM 173 CA GLY A 11 20.899 28.001 43.046 1.00 0.00 C ATOM 174 C GLY A 11 20.051 28.123 44.307 1.00 0.00 C ATOM 175 O GLY A 11 19.422 29.154 44.543 1.00 0.00 O ATOM 0 H GLY A 11 20.271 26.028 42.717 1.00 0.00 H new ATOM 0 HA2 GLY A 11 21.860 28.493 43.200 1.00 0.00 H new ATOM 0 HA3 GLY A 11 20.406 28.516 42.221 1.00 0.00 H new ATOM 179 N SER A 12 20.040 27.068 45.118 1.00 0.00 N ATOM 180 CA SER A 12 19.270 27.067 46.358 1.00 0.00 C ATOM 181 C SER A 12 20.051 27.779 47.456 1.00 0.00 C ATOM 182 O SER A 12 21.279 27.717 47.493 1.00 0.00 O ATOM 183 CB SER A 12 18.964 25.633 46.783 1.00 0.00 C ATOM 184 OG SER A 12 18.735 25.565 48.182 1.00 0.00 O ATOM 0 H SER A 12 20.554 26.205 44.939 1.00 0.00 H new ATOM 0 HA SER A 12 18.331 27.594 46.191 1.00 0.00 H new ATOM 0 HB2 SER A 12 18.088 25.268 46.247 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.796 24.983 46.513 1.00 0.00 H new ATOM 0 HG SER A 12 18.539 24.639 48.437 1.00 0.00 H new ATOM 190 N ASN A 13 19.336 28.456 48.349 1.00 0.00 N ATOM 191 CA ASN A 13 19.977 29.181 49.446 1.00 0.00 C ATOM 192 C ASN A 13 19.040 29.282 50.648 1.00 0.00 C ATOM 193 O ASN A 13 19.066 28.426 51.532 1.00 0.00 O ATOM 194 CB ASN A 13 20.419 30.580 48.992 1.00 0.00 C ATOM 195 CG ASN A 13 19.494 31.136 47.910 1.00 0.00 C ATOM 196 OD1 ASN A 13 18.305 31.353 48.146 1.00 0.00 O ATOM 197 ND2 ASN A 13 20.043 31.366 46.723 1.00 0.00 N ATOM 0 H ASN A 13 18.318 28.519 48.337 1.00 0.00 H new ATOM 0 HA ASN A 13 20.863 28.622 49.746 1.00 0.00 H new ATOM 0 HB2 ASN A 13 20.427 31.256 49.847 1.00 0.00 H new ATOM 0 HB3 ASN A 13 21.439 30.535 48.612 1.00 0.00 H new ATOM 0 HD21 ASN A 13 19.475 31.737 45.962 1.00 0.00 H new ATOM 0 HD22 ASN A 13 21.033 31.171 46.573 1.00 0.00 H new ATOM 204 N GLU A 14 18.217 30.327 50.684 1.00 0.00 N ATOM 205 CA GLU A 14 17.286 30.528 51.783 1.00 0.00 C ATOM 206 C GLU A 14 15.909 29.988 51.415 1.00 0.00 C ATOM 207 O GLU A 14 15.435 29.019 52.008 1.00 0.00 O ATOM 208 CB GLU A 14 17.201 32.016 52.112 1.00 0.00 C ATOM 209 CG GLU A 14 16.157 32.285 53.186 1.00 0.00 C ATOM 210 CD GLU A 14 16.819 32.843 54.439 1.00 0.00 C ATOM 211 OE1 GLU A 14 17.614 32.112 55.067 1.00 0.00 O ATOM 212 OE2 GLU A 14 16.544 34.009 54.791 1.00 0.00 O ATOM 0 H GLU A 14 18.178 31.047 49.962 1.00 0.00 H new ATOM 0 HA GLU A 14 17.644 29.987 52.659 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.174 32.372 52.450 1.00 0.00 H new ATOM 0 HB3 GLU A 14 16.952 32.576 51.211 1.00 0.00 H new ATOM 0 HG2 GLU A 14 15.415 32.991 52.813 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.627 31.363 53.426 1.00 0.00 H new ATOM 219 N LYS A 15 15.270 30.619 50.436 1.00 0.00 N ATOM 220 CA LYS A 15 13.944 30.198 49.991 1.00 0.00 C ATOM 221 C LYS A 15 13.828 30.303 48.475 1.00 0.00 C ATOM 222 O LYS A 15 12.863 30.860 47.953 1.00 0.00 O ATOM 223 CB LYS A 15 12.857 31.046 50.661 1.00 0.00 C ATOM 224 CG LYS A 15 13.299 32.496 50.860 1.00 0.00 C ATOM 225 CD LYS A 15 13.294 33.263 49.542 1.00 0.00 C ATOM 226 CE LYS A 15 11.875 33.451 49.015 1.00 0.00 C ATOM 227 NZ LYS A 15 11.538 34.895 48.875 1.00 0.00 N ATOM 0 H LYS A 15 15.647 31.423 49.935 1.00 0.00 H new ATOM 0 HA LYS A 15 13.804 29.157 50.280 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.953 31.023 50.052 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.601 30.610 51.627 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.634 32.987 51.571 1.00 0.00 H new ATOM 0 HG3 LYS A 15 14.300 32.517 51.292 1.00 0.00 H new ATOM 0 HD2 LYS A 15 13.763 34.236 49.684 1.00 0.00 H new ATOM 0 HD3 LYS A 15 13.890 32.726 48.804 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.775 32.956 48.049 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.167 32.974 49.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.567 34.992 48.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.611 35.360 49.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.200 35.343 48.210 1.00 0.00 H new ATOM 241 N HIS A 16 14.816 29.756 47.771 1.00 0.00 N ATOM 242 CA HIS A 16 14.825 29.777 46.310 1.00 0.00 C ATOM 243 C HIS A 16 15.087 28.376 45.768 1.00 0.00 C ATOM 244 O HIS A 16 16.175 27.827 45.936 1.00 0.00 O ATOM 245 CB HIS A 16 15.905 30.732 45.803 1.00 0.00 C ATOM 246 CG HIS A 16 15.532 32.174 45.948 1.00 0.00 C ATOM 247 ND1 HIS A 16 15.429 32.805 47.159 1.00 0.00 N ATOM 248 CD2 HIS A 16 15.235 33.128 45.029 1.00 0.00 C ATOM 249 CE1 HIS A 16 15.090 34.064 47.007 1.00 0.00 C ATOM 250 NE2 HIS A 16 14.961 34.300 45.711 1.00 0.00 N ATOM 0 H HIS A 16 15.622 29.292 48.189 1.00 0.00 H new ATOM 0 HA HIS A 16 13.851 30.121 45.961 1.00 0.00 H new ATOM 0 HB2 HIS A 16 16.830 30.546 46.348 1.00 0.00 H new ATOM 0 HB3 HIS A 16 16.105 30.519 44.753 1.00 0.00 H new ATOM 0 HD2 HIS A 16 15.216 32.996 43.957 1.00 0.00 H new ATOM 0 HE1 HIS A 16 14.942 34.782 47.800 1.00 0.00 H new ATOM 0 HE2 HIS A 16 14.704 35.192 45.288 1.00 0.00 H new ATOM 258 N LEU A 17 14.077 27.804 45.124 1.00 0.00 N ATOM 259 CA LEU A 17 14.181 26.464 44.558 1.00 0.00 C ATOM 260 C LEU A 17 14.483 26.544 43.068 1.00 0.00 C ATOM 261 O LEU A 17 13.584 26.432 42.234 1.00 0.00 O ATOM 262 CB LEU A 17 12.869 25.710 44.794 1.00 0.00 C ATOM 263 CG LEU A 17 13.047 24.190 44.741 1.00 0.00 C ATOM 264 CD1 LEU A 17 13.206 23.717 43.300 1.00 0.00 C ATOM 265 CD2 LEU A 17 14.233 23.738 45.592 1.00 0.00 C ATOM 0 H LEU A 17 13.171 28.250 44.980 1.00 0.00 H new ATOM 0 HA LEU A 17 14.996 25.929 45.046 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.462 25.991 45.765 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.140 26.013 44.043 1.00 0.00 H new ATOM 0 HG LEU A 17 12.148 23.735 45.157 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.331 22.634 43.284 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.319 23.988 42.728 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.082 24.190 42.856 1.00 0.00 H new ATOM 0 HD21 LEU A 17 14.331 22.654 45.532 1.00 0.00 H new ATOM 0 HD22 LEU A 17 15.145 24.206 45.222 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.069 24.031 46.629 1.00 0.00 H new ATOM 277 N ALA A 18 15.755 26.744 42.739 1.00 0.00 N ATOM 278 CA ALA A 18 16.181 26.847 41.346 1.00 0.00 C ATOM 279 C ALA A 18 15.890 25.551 40.600 1.00 0.00 C ATOM 280 O ALA A 18 16.222 24.465 41.072 1.00 0.00 O ATOM 281 CB ALA A 18 17.673 27.158 41.279 1.00 0.00 C ATOM 0 H ALA A 18 16.510 26.838 43.418 1.00 0.00 H new ATOM 0 HA ALA A 18 15.623 27.655 40.873 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.983 27.233 40.237 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.871 28.103 41.785 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.233 26.361 41.767 1.00 0.00 H new ATOM 287 N VAL A 19 15.274 25.675 39.428 1.00 0.00 N ATOM 288 CA VAL A 19 14.942 24.514 38.607 1.00 0.00 C ATOM 289 C VAL A 19 15.307 24.776 37.152 1.00 0.00 C ATOM 290 O VAL A 19 15.049 25.857 36.623 1.00 0.00 O ATOM 291 CB VAL A 19 13.453 24.201 38.718 1.00 0.00 C ATOM 292 CG1 VAL A 19 13.098 23.776 40.140 1.00 0.00 C ATOM 293 CG2 VAL A 19 12.622 25.409 38.296 1.00 0.00 C ATOM 0 H VAL A 19 14.994 26.569 39.025 1.00 0.00 H new ATOM 0 HA VAL A 19 15.513 23.658 38.967 1.00 0.00 H new ATOM 0 HB VAL A 19 13.224 23.373 38.047 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.032 23.557 40.199 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.667 22.885 40.406 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.342 24.582 40.832 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.562 25.169 38.381 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.856 26.255 38.942 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.854 25.667 37.263 1.00 0.00 H new ATOM 303 N LEU A 20 15.913 23.784 36.509 1.00 0.00 N ATOM 304 CA LEU A 20 16.319 23.912 35.113 1.00 0.00 C ATOM 305 C LEU A 20 15.201 23.455 34.183 1.00 0.00 C ATOM 306 O LEU A 20 15.267 22.369 33.606 1.00 0.00 O ATOM 307 CB LEU A 20 17.576 23.084 34.860 1.00 0.00 C ATOM 308 CG LEU A 20 18.541 23.817 33.932 1.00 0.00 C ATOM 309 CD1 LEU A 20 19.817 23.004 33.735 1.00 0.00 C ATOM 310 CD2 LEU A 20 17.876 24.106 32.589 1.00 0.00 C ATOM 0 H LEU A 20 16.134 22.882 36.931 1.00 0.00 H new ATOM 0 HA LEU A 20 16.531 24.962 34.909 1.00 0.00 H new ATOM 0 HB2 LEU A 20 18.070 22.870 35.807 1.00 0.00 H new ATOM 0 HB3 LEU A 20 17.301 22.126 34.420 1.00 0.00 H new ATOM 0 HG LEU A 20 18.808 24.767 34.395 1.00 0.00 H new ATOM 0 HD11 LEU A 20 20.493 23.543 33.071 1.00 0.00 H new ATOM 0 HD12 LEU A 20 20.302 22.850 34.699 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.569 22.038 33.295 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.579 24.629 31.940 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.579 23.168 32.121 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.995 24.728 32.746 1.00 0.00 H new ATOM 322 N VAL A 21 14.178 24.292 34.036 1.00 0.00 N ATOM 323 CA VAL A 21 13.049 23.974 33.168 1.00 0.00 C ATOM 324 C VAL A 21 13.448 24.143 31.707 1.00 0.00 C ATOM 325 O VAL A 21 13.399 25.247 31.165 1.00 0.00 O ATOM 326 CB VAL A 21 11.867 24.883 33.491 1.00 0.00 C ATOM 327 CG1 VAL A 21 10.607 24.393 32.784 1.00 0.00 C ATOM 328 CG2 VAL A 21 11.642 24.955 34.999 1.00 0.00 C ATOM 0 H VAL A 21 14.108 25.194 34.506 1.00 0.00 H new ATOM 0 HA VAL A 21 12.757 22.938 33.339 1.00 0.00 H new ATOM 0 HB VAL A 21 12.096 25.886 33.130 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.774 25.053 33.026 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.770 24.395 31.706 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.375 23.380 33.114 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.795 25.608 35.210 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.435 23.956 35.384 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.535 25.352 35.482 1.00 0.00 H new ATOM 338 N LYS A 22 13.848 23.044 31.075 1.00 0.00 N ATOM 339 CA LYS A 22 14.261 23.072 29.676 1.00 0.00 C ATOM 340 C LYS A 22 14.463 21.656 29.152 1.00 0.00 C ATOM 341 O LYS A 22 15.117 20.834 29.795 1.00 0.00 O ATOM 342 CB LYS A 22 15.556 23.868 29.534 1.00 0.00 C ATOM 343 CG LYS A 22 15.877 24.146 28.068 1.00 0.00 C ATOM 344 CD LYS A 22 17.022 25.146 27.933 1.00 0.00 C ATOM 345 CE LYS A 22 17.939 24.784 26.769 1.00 0.00 C ATOM 346 NZ LYS A 22 18.710 25.970 26.298 1.00 0.00 N ATOM 0 H LYS A 22 13.895 22.122 31.510 1.00 0.00 H new ATOM 0 HA LYS A 22 13.477 23.552 29.090 1.00 0.00 H new ATOM 0 HB2 LYS A 22 15.467 24.810 30.074 1.00 0.00 H new ATOM 0 HB3 LYS A 22 16.377 23.315 29.990 1.00 0.00 H new ATOM 0 HG2 LYS A 22 16.144 23.215 27.569 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.991 24.534 27.566 1.00 0.00 H new ATOM 0 HD2 LYS A 22 16.618 26.147 27.783 1.00 0.00 H new ATOM 0 HD3 LYS A 22 17.598 25.170 28.858 1.00 0.00 H new ATOM 0 HE2 LYS A 22 18.629 23.998 27.077 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.346 24.383 25.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 19.324 25.692 25.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 18.051 26.710 25.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 19.294 26.336 27.077 1.00 0.00 H new ATOM 360 N TYR A 23 13.901 21.376 27.981 1.00 0.00 N ATOM 361 CA TYR A 23 14.020 20.056 27.369 1.00 0.00 C ATOM 362 C TYR A 23 14.194 20.182 25.860 1.00 0.00 C ATOM 363 O TYR A 23 13.851 19.270 25.109 1.00 0.00 O ATOM 364 CB TYR A 23 12.781 19.223 27.683 1.00 0.00 C ATOM 365 CG TYR A 23 11.499 19.994 27.522 1.00 0.00 C ATOM 366 CD1 TYR A 23 11.019 20.765 28.565 1.00 0.00 C ATOM 367 CD2 TYR A 23 10.799 19.930 26.330 1.00 0.00 C ATOM 368 CE1 TYR A 23 9.839 21.472 28.416 1.00 0.00 C ATOM 369 CE2 TYR A 23 9.620 20.638 26.182 1.00 0.00 C ATOM 370 CZ TYR A 23 9.144 21.406 27.225 1.00 0.00 C ATOM 371 OH TYR A 23 7.971 22.110 27.077 1.00 0.00 O ATOM 0 H TYR A 23 13.358 22.046 27.436 1.00 0.00 H new ATOM 0 HA TYR A 23 14.899 19.559 27.780 1.00 0.00 H new ATOM 0 HB2 TYR A 23 12.760 18.352 27.028 1.00 0.00 H new ATOM 0 HB3 TYR A 23 12.849 18.851 28.705 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.565 20.815 29.495 1.00 0.00 H new ATOM 0 HD2 TYR A 23 11.173 19.327 25.516 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.462 22.074 29.230 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.073 20.590 25.252 1.00 0.00 H new ATOM 0 HH TYR A 23 7.608 21.956 26.180 1.00 0.00 H new ATOM 381 N GLU A 24 14.729 21.319 25.422 1.00 0.00 N ATOM 382 CA GLU A 24 14.951 21.569 24.000 1.00 0.00 C ATOM 383 C GLU A 24 13.693 21.255 23.198 1.00 0.00 C ATOM 384 O GLU A 24 13.520 20.140 22.707 1.00 0.00 O ATOM 385 CB GLU A 24 16.115 20.719 23.496 1.00 0.00 C ATOM 386 CG GLU A 24 17.198 21.588 22.863 1.00 0.00 C ATOM 387 CD GLU A 24 17.778 20.898 21.635 1.00 0.00 C ATOM 388 OE1 GLU A 24 18.581 19.957 21.805 1.00 0.00 O ATOM 389 OE2 GLU A 24 17.427 21.300 20.506 1.00 0.00 O ATOM 0 H GLU A 24 15.017 22.083 26.033 1.00 0.00 H new ATOM 0 HA GLU A 24 15.194 22.623 23.868 1.00 0.00 H new ATOM 0 HB2 GLU A 24 16.539 20.150 24.324 1.00 0.00 H new ATOM 0 HB3 GLU A 24 15.752 19.996 22.766 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.780 22.555 22.582 1.00 0.00 H new ATOM 0 HG3 GLU A 24 17.989 21.781 23.588 1.00 0.00 H new ATOM 396 N GLY A 25 12.817 22.247 23.069 1.00 0.00 N ATOM 397 CA GLY A 25 11.572 22.079 22.327 1.00 0.00 C ATOM 398 C GLY A 25 10.829 23.403 22.213 1.00 0.00 C ATOM 399 O GLY A 25 11.216 24.279 21.440 1.00 0.00 O ATOM 0 H GLY A 25 12.947 23.176 23.469 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.786 21.690 21.332 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.941 21.344 22.828 1.00 0.00 H new ATOM 403 N ASP A 26 9.758 23.543 22.988 1.00 0.00 N ATOM 404 CA ASP A 26 8.956 24.762 22.976 1.00 0.00 C ATOM 405 C ASP A 26 9.774 25.940 23.491 1.00 0.00 C ATOM 406 O ASP A 26 10.969 25.808 23.758 1.00 0.00 O ATOM 407 CB ASP A 26 7.711 24.574 23.837 1.00 0.00 C ATOM 408 CG ASP A 26 6.675 23.745 23.090 1.00 0.00 C ATOM 409 OD1 ASP A 26 6.730 22.501 23.180 1.00 0.00 O ATOM 410 OD2 ASP A 26 5.809 24.342 22.415 1.00 0.00 O ATOM 0 H ASP A 26 9.425 22.826 23.633 1.00 0.00 H new ATOM 0 HA ASP A 26 8.652 24.971 21.950 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.977 24.080 24.771 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.291 25.545 24.098 1.00 0.00 H new ATOM 415 N THR A 27 9.126 27.093 23.624 1.00 0.00 N ATOM 416 CA THR A 27 9.797 28.297 24.105 1.00 0.00 C ATOM 417 C THR A 27 9.420 28.574 25.556 1.00 0.00 C ATOM 418 O THR A 27 8.743 27.770 26.197 1.00 0.00 O ATOM 419 CB THR A 27 9.419 29.487 23.226 1.00 0.00 C ATOM 420 OG1 THR A 27 8.108 29.312 22.711 1.00 0.00 O ATOM 421 CG2 THR A 27 10.414 29.652 22.081 1.00 0.00 C ATOM 0 H THR A 27 8.138 27.220 23.406 1.00 0.00 H new ATOM 0 HA THR A 27 10.875 28.143 24.052 1.00 0.00 H new ATOM 0 HB THR A 27 9.446 30.389 23.837 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.987 29.883 21.924 1.00 0.00 H new ATOM 0 HG21 THR A 27 10.125 30.506 21.468 1.00 0.00 H new ATOM 0 HG22 THR A 27 11.412 29.818 22.487 1.00 0.00 H new ATOM 0 HG23 THR A 27 10.417 28.750 21.469 1.00 0.00 H new ATOM 429 N MET A 28 9.869 29.714 26.072 1.00 0.00 N ATOM 430 CA MET A 28 9.588 30.099 27.453 1.00 0.00 C ATOM 431 C MET A 28 8.755 31.371 27.496 1.00 0.00 C ATOM 432 O MET A 28 9.088 32.363 26.848 1.00 0.00 O ATOM 433 CB MET A 28 10.895 30.329 28.195 1.00 0.00 C ATOM 434 CG MET A 28 11.783 29.089 28.152 1.00 0.00 C ATOM 435 SD MET A 28 13.513 29.494 27.863 1.00 0.00 S ATOM 436 CE MET A 28 13.660 29.115 26.110 1.00 0.00 C ATOM 0 H MET A 28 10.431 30.390 25.554 1.00 0.00 H new ATOM 0 HA MET A 28 9.028 29.295 27.930 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.424 31.173 27.752 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.686 30.593 29.232 1.00 0.00 H new ATOM 0 HG2 MET A 28 11.692 28.547 29.093 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.432 28.421 27.365 1.00 0.00 H new ATOM 0 HE1 MET A 28 14.679 29.315 25.779 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.424 28.064 25.944 1.00 0.00 H new ATOM 0 HE3 MET A 28 12.966 29.736 25.544 1.00 0.00 H new ATOM 446 N ALA A 29 7.671 31.340 28.265 1.00 0.00 N ATOM 447 CA ALA A 29 6.790 32.496 28.392 1.00 0.00 C ATOM 448 C ALA A 29 6.668 32.921 29.851 1.00 0.00 C ATOM 449 O ALA A 29 6.955 34.066 30.200 1.00 0.00 O ATOM 450 CB ALA A 29 5.411 32.159 27.834 1.00 0.00 C ATOM 0 H ALA A 29 7.382 30.527 28.809 1.00 0.00 H new ATOM 0 HA ALA A 29 7.218 33.323 27.825 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.757 33.026 27.931 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.500 31.888 26.782 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.988 31.322 28.389 1.00 0.00 H new ATOM 456 N GLU A 30 6.239 31.992 30.700 1.00 0.00 N ATOM 457 CA GLU A 30 6.076 32.270 32.124 1.00 0.00 C ATOM 458 C GLU A 30 6.101 30.972 32.922 1.00 0.00 C ATOM 459 O GLU A 30 5.994 29.885 32.357 1.00 0.00 O ATOM 460 CB GLU A 30 4.758 33.003 32.361 1.00 0.00 C ATOM 461 CG GLU A 30 4.686 33.569 33.777 1.00 0.00 C ATOM 462 CD GLU A 30 3.595 34.627 33.869 1.00 0.00 C ATOM 463 OE1 GLU A 30 2.547 34.460 33.210 1.00 0.00 O ATOM 464 OE2 GLU A 30 3.789 35.621 34.600 1.00 0.00 O ATOM 0 H GLU A 30 5.998 31.039 30.427 1.00 0.00 H new ATOM 0 HA GLU A 30 6.901 32.900 32.456 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.654 33.812 31.638 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.925 32.320 32.197 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.485 32.767 34.487 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.647 34.003 34.051 1.00 0.00 H new ATOM 471 N VAL A 31 6.242 31.091 34.240 1.00 0.00 N ATOM 472 CA VAL A 31 6.280 29.922 35.115 1.00 0.00 C ATOM 473 C VAL A 31 5.759 30.271 36.500 1.00 0.00 C ATOM 474 O VAL A 31 5.854 31.417 36.942 1.00 0.00 O ATOM 475 CB VAL A 31 7.708 29.394 35.226 1.00 0.00 C ATOM 476 CG1 VAL A 31 7.731 28.083 36.006 1.00 0.00 C ATOM 477 CG2 VAL A 31 8.325 29.205 33.844 1.00 0.00 C ATOM 0 H VAL A 31 6.332 31.984 34.725 1.00 0.00 H new ATOM 0 HA VAL A 31 5.642 29.152 34.682 1.00 0.00 H new ATOM 0 HB VAL A 31 8.304 30.130 35.766 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.756 27.719 36.076 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.335 28.249 37.008 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.118 27.343 35.492 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.342 28.828 33.948 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.730 28.491 33.275 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.344 30.161 33.320 1.00 0.00 H new ATOM 487 N GLU A 32 5.208 29.274 37.182 1.00 0.00 N ATOM 488 CA GLU A 32 4.670 29.463 38.516 1.00 0.00 C ATOM 489 C GLU A 32 4.673 28.146 39.280 1.00 0.00 C ATOM 490 O GLU A 32 4.361 27.092 38.726 1.00 0.00 O ATOM 491 CB GLU A 32 3.258 30.016 38.419 1.00 0.00 C ATOM 492 CG GLU A 32 2.319 29.034 37.732 1.00 0.00 C ATOM 493 CD GLU A 32 1.815 29.618 36.419 1.00 0.00 C ATOM 494 OE1 GLU A 32 2.488 29.427 35.384 1.00 0.00 O ATOM 495 OE2 GLU A 32 0.748 30.266 36.427 1.00 0.00 O ATOM 0 H GLU A 32 5.124 28.322 36.827 1.00 0.00 H new ATOM 0 HA GLU A 32 5.296 30.173 39.057 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.884 30.239 39.418 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.271 30.955 37.866 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.838 28.094 37.545 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.476 28.808 38.385 1.00 0.00 H new ATOM 502 N LEU A 33 5.039 28.213 40.554 1.00 0.00 N ATOM 503 CA LEU A 33 5.097 27.027 41.402 1.00 0.00 C ATOM 504 C LEU A 33 3.795 26.854 42.175 1.00 0.00 C ATOM 505 O LEU A 33 2.887 27.680 42.079 1.00 0.00 O ATOM 506 CB LEU A 33 6.266 27.149 42.376 1.00 0.00 C ATOM 507 CG LEU A 33 7.333 26.094 42.102 1.00 0.00 C ATOM 508 CD1 LEU A 33 8.551 26.320 42.994 1.00 0.00 C ATOM 509 CD2 LEU A 33 6.769 24.694 42.315 1.00 0.00 C ATOM 0 H LEU A 33 5.301 29.079 41.025 1.00 0.00 H new ATOM 0 HA LEU A 33 5.241 26.152 40.768 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.706 28.143 42.295 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.902 27.043 43.398 1.00 0.00 H new ATOM 0 HG LEU A 33 7.646 26.185 41.062 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.302 25.558 42.785 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.970 27.306 42.795 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.252 26.257 44.040 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.545 23.955 42.115 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.428 24.592 43.345 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.931 24.533 41.637 1.00 0.00 H new ATOM 521 N ARG A 34 3.715 25.774 42.945 1.00 0.00 N ATOM 522 CA ARG A 34 2.534 25.481 43.748 1.00 0.00 C ATOM 523 C ARG A 34 2.952 25.169 45.180 1.00 0.00 C ATOM 524 O ARG A 34 4.025 25.579 45.621 1.00 0.00 O ATOM 525 CB ARG A 34 1.775 24.299 43.148 1.00 0.00 C ATOM 526 CG ARG A 34 0.265 24.487 43.278 1.00 0.00 C ATOM 527 CD ARG A 34 -0.430 23.172 43.623 1.00 0.00 C ATOM 528 NE ARG A 34 -1.809 23.185 43.143 1.00 0.00 N ATOM 529 CZ ARG A 34 -2.834 22.943 43.955 1.00 0.00 C ATOM 530 NH1 ARG A 34 -3.035 21.720 44.425 1.00 0.00 N ATOM 531 NH2 ARG A 34 -3.658 23.924 44.296 1.00 0.00 N ATOM 0 H ARG A 34 4.460 25.083 43.030 1.00 0.00 H new ATOM 0 HA ARG A 34 1.877 26.351 43.752 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.041 24.189 42.097 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.074 23.379 43.650 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.054 25.226 44.051 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -0.137 24.879 42.344 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.110 22.339 43.174 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.415 23.017 44.702 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.991 23.385 42.159 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.403 20.963 44.164 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.822 21.536 45.048 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.506 24.866 43.935 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.444 23.737 44.919 1.00 0.00 H new ATOM 545 N GLU A 35 2.109 24.443 45.906 1.00 0.00 N ATOM 546 CA GLU A 35 2.411 24.086 47.286 1.00 0.00 C ATOM 547 C GLU A 35 1.262 23.289 47.884 1.00 0.00 C ATOM 548 O GLU A 35 0.212 23.843 48.209 1.00 0.00 O ATOM 549 CB GLU A 35 2.661 25.346 48.109 1.00 0.00 C ATOM 550 CG GLU A 35 4.083 25.369 48.661 1.00 0.00 C ATOM 551 CD GLU A 35 4.894 26.471 47.990 1.00 0.00 C ATOM 552 OE1 GLU A 35 4.358 27.586 47.820 1.00 0.00 O ATOM 553 OE2 GLU A 35 6.065 26.217 47.637 1.00 0.00 O ATOM 0 H GLU A 35 1.215 24.092 45.563 1.00 0.00 H new ATOM 0 HA GLU A 35 3.310 23.470 47.302 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.494 26.227 47.490 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.948 25.394 48.932 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.059 25.531 49.739 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.561 24.404 48.494 1.00 0.00 H new ATOM 560 N HIS A 36 1.467 21.984 48.025 1.00 0.00 N ATOM 561 CA HIS A 36 0.446 21.103 48.582 1.00 0.00 C ATOM 562 C HIS A 36 -0.088 21.668 49.891 1.00 0.00 C ATOM 563 O HIS A 36 0.660 21.850 50.852 1.00 0.00 O ATOM 564 CB HIS A 36 1.026 19.713 48.819 1.00 0.00 C ATOM 565 CG HIS A 36 2.416 19.748 49.374 1.00 0.00 C ATOM 566 ND1 HIS A 36 3.537 19.843 48.591 1.00 0.00 N ATOM 567 CD2 HIS A 36 2.883 19.701 50.649 1.00 0.00 C ATOM 568 CE1 HIS A 36 4.625 19.855 49.326 1.00 0.00 C ATOM 569 NE2 HIS A 36 4.263 19.769 50.595 1.00 0.00 N ATOM 0 H HIS A 36 2.332 21.512 47.761 1.00 0.00 H new ATOM 0 HA HIS A 36 -0.375 21.032 47.869 1.00 0.00 H new ATOM 0 HB2 HIS A 36 0.379 19.168 49.506 1.00 0.00 H new ATOM 0 HB3 HIS A 36 1.029 19.161 47.879 1.00 0.00 H new ATOM 0 HD1 HIS A 36 3.527 19.897 47.572 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.284 19.624 51.544 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.638 19.923 48.958 1.00 0.00 H new ATOM 577 N GLY A 37 -1.386 21.946 49.922 1.00 0.00 N ATOM 578 CA GLY A 37 -2.023 22.494 51.113 1.00 0.00 C ATOM 579 C GLY A 37 -2.598 23.874 50.825 1.00 0.00 C ATOM 580 O GLY A 37 -3.616 24.264 51.398 1.00 0.00 O ATOM 0 H GLY A 37 -2.018 21.801 49.135 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.816 21.826 51.448 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.297 22.558 51.924 1.00 0.00 H new ATOM 584 N SER A 38 -1.942 24.608 49.932 1.00 0.00 N ATOM 585 CA SER A 38 -2.390 25.947 49.563 1.00 0.00 C ATOM 586 C SER A 38 -3.552 25.860 48.581 1.00 0.00 C ATOM 587 O SER A 38 -3.913 24.775 48.128 1.00 0.00 O ATOM 588 CB SER A 38 -1.239 26.734 48.942 1.00 0.00 C ATOM 589 OG SER A 38 -0.612 27.551 49.919 1.00 0.00 O ATOM 0 H SER A 38 -1.098 24.298 49.450 1.00 0.00 H new ATOM 0 HA SER A 38 -2.726 26.464 50.462 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.510 26.046 48.512 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.612 27.353 48.126 1.00 0.00 H new ATOM 0 HG SER A 38 0.248 27.155 50.173 1.00 0.00 H new ATOM 595 N ASP A 39 -4.135 27.009 48.256 1.00 0.00 N ATOM 596 CA ASP A 39 -5.260 27.059 47.327 1.00 0.00 C ATOM 597 C ASP A 39 -5.004 28.089 46.234 1.00 0.00 C ATOM 598 O ASP A 39 -5.940 28.641 45.657 1.00 0.00 O ATOM 599 CB ASP A 39 -6.540 27.408 48.080 1.00 0.00 C ATOM 600 CG ASP A 39 -7.699 26.559 47.572 1.00 0.00 C ATOM 601 OD1 ASP A 39 -7.827 25.400 48.018 1.00 0.00 O ATOM 602 OD2 ASP A 39 -8.476 27.056 46.730 1.00 0.00 O ATOM 0 H ASP A 39 -3.848 27.917 48.621 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.372 26.079 46.863 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.399 27.242 49.148 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.770 28.465 47.950 1.00 0.00 H new ATOM 607 N GLU A 40 -3.730 28.343 45.953 1.00 0.00 N ATOM 608 CA GLU A 40 -3.350 29.307 44.928 1.00 0.00 C ATOM 609 C GLU A 40 -1.921 29.057 44.466 1.00 0.00 C ATOM 610 O GLU A 40 -1.062 28.663 45.256 1.00 0.00 O ATOM 611 CB GLU A 40 -3.475 30.724 45.477 1.00 0.00 C ATOM 612 CG GLU A 40 -4.759 31.389 44.995 1.00 0.00 C ATOM 613 CD GLU A 40 -4.789 32.849 45.424 1.00 0.00 C ATOM 614 OE1 GLU A 40 -3.739 33.520 45.328 1.00 0.00 O ATOM 615 OE2 GLU A 40 -5.862 33.322 45.854 1.00 0.00 O ATOM 0 H GLU A 40 -2.943 27.894 46.422 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.019 29.191 44.075 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.463 30.697 46.567 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.615 31.316 45.163 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.827 31.320 43.909 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.624 30.865 45.403 1.00 0.00 H new ATOM 622 N TRP A 41 -1.671 29.291 43.183 1.00 0.00 N ATOM 623 CA TRP A 41 -0.344 29.096 42.610 1.00 0.00 C ATOM 624 C TRP A 41 0.543 30.295 42.918 1.00 0.00 C ATOM 625 O TRP A 41 0.052 31.405 43.125 1.00 0.00 O ATOM 626 CB TRP A 41 -0.452 28.902 41.101 1.00 0.00 C ATOM 627 CG TRP A 41 -1.085 27.597 40.730 1.00 0.00 C ATOM 628 CD1 TRP A 41 -2.422 27.305 40.730 1.00 0.00 C ATOM 629 CD2 TRP A 41 -0.407 26.397 40.302 1.00 0.00 C ATOM 630 NE1 TRP A 41 -2.589 26.009 40.329 1.00 0.00 N ATOM 631 CE2 TRP A 41 -1.388 25.427 40.061 1.00 0.00 C ATOM 632 CE3 TRP A 41 0.931 26.053 40.100 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -1.069 24.148 39.633 1.00 0.00 C ATOM 634 CZ3 TRP A 41 1.258 24.774 39.671 1.00 0.00 C ATOM 635 CH2 TRP A 41 0.266 23.830 39.439 1.00 0.00 C ATOM 0 H TRP A 41 -2.372 29.617 42.518 1.00 0.00 H new ATOM 0 HA TRP A 41 0.103 28.206 43.052 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -1.035 29.718 40.675 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.543 28.957 40.660 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.215 27.986 41.002 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.491 25.541 40.242 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.710 26.780 40.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.843 23.416 39.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.294 24.510 39.516 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.537 22.840 39.105 1.00 0.00 H new ATOM 646 N VAL A 42 1.852 30.067 42.949 1.00 0.00 N ATOM 647 CA VAL A 42 2.807 31.132 43.232 1.00 0.00 C ATOM 648 C VAL A 42 3.693 31.385 42.018 1.00 0.00 C ATOM 649 O VAL A 42 4.589 30.598 41.713 1.00 0.00 O ATOM 650 CB VAL A 42 3.659 30.759 44.444 1.00 0.00 C ATOM 651 CG1 VAL A 42 2.775 30.525 45.666 1.00 0.00 C ATOM 652 CG2 VAL A 42 4.502 29.520 44.152 1.00 0.00 C ATOM 0 H VAL A 42 2.276 29.154 42.782 1.00 0.00 H new ATOM 0 HA VAL A 42 2.259 32.047 43.455 1.00 0.00 H new ATOM 0 HB VAL A 42 4.333 31.589 44.656 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.398 30.260 46.520 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.218 31.434 45.891 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.077 29.713 45.460 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.101 29.272 45.029 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.847 28.683 43.912 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.161 29.719 43.307 1.00 0.00 H new ATOM 662 N ALA A 43 3.433 32.488 41.324 1.00 0.00 N ATOM 663 CA ALA A 43 4.203 32.847 40.138 1.00 0.00 C ATOM 664 C ALA A 43 5.694 32.837 40.450 1.00 0.00 C ATOM 665 O ALA A 43 6.123 33.326 41.496 1.00 0.00 O ATOM 666 CB ALA A 43 3.784 34.228 39.642 1.00 0.00 C ATOM 0 H ALA A 43 2.694 33.150 41.563 1.00 0.00 H new ATOM 0 HA ALA A 43 4.004 32.112 39.358 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.364 34.488 38.756 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.723 34.218 39.391 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.965 34.966 40.424 1.00 0.00 H new ATOM 672 N MET A 44 6.481 32.274 39.539 1.00 0.00 N ATOM 673 CA MET A 44 7.925 32.193 39.713 1.00 0.00 C ATOM 674 C MET A 44 8.566 33.564 39.556 1.00 0.00 C ATOM 675 O MET A 44 7.875 34.580 39.476 1.00 0.00 O ATOM 676 CB MET A 44 8.504 31.231 38.685 1.00 0.00 C ATOM 677 CG MET A 44 8.660 29.836 39.268 1.00 0.00 C ATOM 678 SD MET A 44 10.374 29.422 39.631 1.00 0.00 S ATOM 679 CE MET A 44 10.174 27.815 40.416 1.00 0.00 C ATOM 0 H MET A 44 6.140 31.865 38.669 1.00 0.00 H new ATOM 0 HA MET A 44 8.137 31.829 40.718 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.853 31.193 37.811 1.00 0.00 H new ATOM 0 HB3 MET A 44 9.473 31.597 38.345 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.071 29.761 40.182 1.00 0.00 H new ATOM 0 HG3 MET A 44 8.255 29.106 38.567 1.00 0.00 H new ATOM 0 HE1 MET A 44 10.664 27.822 41.390 1.00 0.00 H new ATOM 0 HE2 MET A 44 9.113 27.603 40.546 1.00 0.00 H new ATOM 0 HE3 MET A 44 10.624 27.045 39.789 1.00 0.00 H new ATOM 689 N THR A 45 9.894 33.584 39.513 1.00 0.00 N ATOM 690 CA THR A 45 10.639 34.831 39.365 1.00 0.00 C ATOM 691 C THR A 45 11.886 34.612 38.516 1.00 0.00 C ATOM 692 O THR A 45 12.827 33.941 38.941 1.00 0.00 O ATOM 693 CB THR A 45 11.034 35.367 40.739 1.00 0.00 C ATOM 694 OG1 THR A 45 9.881 35.501 41.556 1.00 0.00 O ATOM 695 CG2 THR A 45 11.745 36.711 40.614 1.00 0.00 C ATOM 0 H THR A 45 10.478 32.750 39.579 1.00 0.00 H new ATOM 0 HA THR A 45 10.001 35.559 38.865 1.00 0.00 H new ATOM 0 HB THR A 45 11.721 34.658 41.200 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.898 34.819 42.260 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.017 37.073 41.606 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.646 36.591 40.012 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.081 37.431 40.135 1.00 0.00 H new ATOM 703 N LYS A 46 11.891 35.186 37.316 1.00 0.00 N ATOM 704 CA LYS A 46 13.028 35.055 36.410 1.00 0.00 C ATOM 705 C LYS A 46 14.158 35.975 36.854 1.00 0.00 C ATOM 706 O LYS A 46 14.176 37.158 36.516 1.00 0.00 O ATOM 707 CB LYS A 46 12.607 35.395 34.981 1.00 0.00 C ATOM 708 CG LYS A 46 11.343 34.639 34.579 1.00 0.00 C ATOM 709 CD LYS A 46 10.666 35.298 33.381 1.00 0.00 C ATOM 710 CE LYS A 46 11.583 35.304 32.162 1.00 0.00 C ATOM 711 NZ LYS A 46 11.093 36.252 31.121 1.00 0.00 N ATOM 0 H LYS A 46 11.121 35.746 36.949 1.00 0.00 H new ATOM 0 HA LYS A 46 13.380 34.024 36.436 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.434 36.468 34.896 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.415 35.147 34.293 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.595 33.607 34.336 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.651 34.608 35.420 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.745 34.767 33.143 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.388 36.321 33.635 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.592 35.583 32.465 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.642 34.299 31.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.737 36.234 30.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.139 35.970 30.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.060 37.214 31.515 1.00 0.00 H new ATOM 725 N GLY A 47 15.097 35.426 37.621 1.00 0.00 N ATOM 726 CA GLY A 47 16.227 36.204 38.121 1.00 0.00 C ATOM 727 C GLY A 47 17.554 35.513 37.825 1.00 0.00 C ATOM 728 O GLY A 47 18.540 36.171 37.493 1.00 0.00 O ATOM 0 H GLY A 47 15.098 34.448 37.909 1.00 0.00 H new ATOM 0 HA2 GLY A 47 16.220 37.193 37.663 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.123 36.350 39.196 1.00 0.00 H new ATOM 732 N GLU A 48 17.581 34.188 37.952 1.00 0.00 N ATOM 733 CA GLU A 48 18.797 33.423 37.700 1.00 0.00 C ATOM 734 C GLU A 48 19.365 33.765 36.332 1.00 0.00 C ATOM 735 O GLU A 48 18.859 34.647 35.638 1.00 0.00 O ATOM 736 CB GLU A 48 18.506 31.928 37.778 1.00 0.00 C ATOM 737 CG GLU A 48 19.204 31.289 38.975 1.00 0.00 C ATOM 738 CD GLU A 48 20.651 30.962 38.630 1.00 0.00 C ATOM 739 OE1 GLU A 48 21.475 31.900 38.568 1.00 0.00 O ATOM 740 OE2 GLU A 48 20.960 29.770 38.423 1.00 0.00 O ATOM 0 H GLU A 48 16.777 33.625 38.227 1.00 0.00 H new ATOM 0 HA GLU A 48 19.531 33.683 38.462 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.430 31.768 37.854 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.837 31.443 36.860 1.00 0.00 H new ATOM 0 HG2 GLU A 48 19.171 31.966 39.828 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.679 30.380 39.269 1.00 0.00 H new ATOM 747 N GLY A 49 20.421 33.060 35.948 1.00 0.00 N ATOM 748 CA GLY A 49 21.062 33.287 34.662 1.00 0.00 C ATOM 749 C GLY A 49 20.695 32.190 33.672 1.00 0.00 C ATOM 750 O GLY A 49 21.545 31.719 32.917 1.00 0.00 O ATOM 0 H GLY A 49 20.851 32.326 36.510 1.00 0.00 H new ATOM 0 HA2 GLY A 49 20.759 34.256 34.266 1.00 0.00 H new ATOM 0 HA3 GLY A 49 22.144 33.319 34.791 1.00 0.00 H new ATOM 754 N GLY A 50 19.424 31.790 33.667 1.00 0.00 N ATOM 755 CA GLY A 50 18.966 30.753 32.749 1.00 0.00 C ATOM 756 C GLY A 50 17.879 29.870 33.362 1.00 0.00 C ATOM 757 O GLY A 50 17.256 29.078 32.655 1.00 0.00 O ATOM 0 H GLY A 50 18.701 32.165 34.282 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.583 31.219 31.841 1.00 0.00 H new ATOM 0 HA3 GLY A 50 19.812 30.132 32.456 1.00 0.00 H new ATOM 761 N VAL A 51 17.647 29.990 34.669 1.00 0.00 N ATOM 762 CA VAL A 51 16.629 29.173 35.325 1.00 0.00 C ATOM 763 C VAL A 51 15.748 30.026 36.226 1.00 0.00 C ATOM 764 O VAL A 51 15.985 31.221 36.390 1.00 0.00 O ATOM 765 CB VAL A 51 17.293 28.068 36.139 1.00 0.00 C ATOM 766 CG1 VAL A 51 18.126 27.167 35.232 1.00 0.00 C ATOM 767 CG2 VAL A 51 18.160 28.660 37.247 1.00 0.00 C ATOM 0 H VAL A 51 18.142 30.635 35.286 1.00 0.00 H new ATOM 0 HA VAL A 51 16.000 28.724 34.556 1.00 0.00 H new ATOM 0 HB VAL A 51 16.511 27.466 36.603 1.00 0.00 H new ATOM 0 HG11 VAL A 51 18.594 26.383 35.828 1.00 0.00 H new ATOM 0 HG12 VAL A 51 17.482 26.714 34.478 1.00 0.00 H new ATOM 0 HG13 VAL A 51 18.898 27.759 34.741 1.00 0.00 H new ATOM 0 HG21 VAL A 51 18.624 27.854 37.815 1.00 0.00 H new ATOM 0 HG22 VAL A 51 18.935 29.287 36.807 1.00 0.00 H new ATOM 0 HG23 VAL A 51 17.540 29.262 37.911 1.00 0.00 H new ATOM 777 N TRP A 52 14.720 29.407 36.797 1.00 0.00 N ATOM 778 CA TRP A 52 13.794 30.111 37.675 1.00 0.00 C ATOM 779 C TRP A 52 14.022 29.709 39.126 1.00 0.00 C ATOM 780 O TRP A 52 14.256 28.539 39.427 1.00 0.00 O ATOM 781 CB TRP A 52 12.365 29.788 37.264 1.00 0.00 C ATOM 782 CG TRP A 52 12.190 29.771 35.779 1.00 0.00 C ATOM 783 CD1 TRP A 52 11.535 28.831 35.042 1.00 0.00 C ATOM 784 CD2 TRP A 52 12.700 30.740 34.845 1.00 0.00 C ATOM 785 NE1 TRP A 52 11.592 29.188 33.722 1.00 0.00 N ATOM 786 CE2 TRP A 52 12.296 30.343 33.566 1.00 0.00 C ATOM 787 CE3 TRP A 52 13.451 31.906 34.972 1.00 0.00 C ATOM 788 CZ2 TRP A 52 12.619 31.075 32.435 1.00 0.00 C ATOM 789 CZ3 TRP A 52 13.781 32.641 33.845 1.00 0.00 C ATOM 790 CH2 TRP A 52 13.367 32.230 32.587 1.00 0.00 C ATOM 0 H TRP A 52 14.507 28.418 36.667 1.00 0.00 H new ATOM 0 HA TRP A 52 13.966 31.184 37.585 1.00 0.00 H new ATOM 0 HB2 TRP A 52 12.083 28.817 37.672 1.00 0.00 H new ATOM 0 HB3 TRP A 52 11.689 30.525 37.699 1.00 0.00 H new ATOM 0 HD1 TRP A 52 11.051 27.949 35.435 1.00 0.00 H new ATOM 0 HE1 TRP A 52 11.166 28.661 32.960 1.00 0.00 H new ATOM 0 HE3 TRP A 52 13.776 32.237 35.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 12.295 30.752 31.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 14.366 33.543 33.947 1.00 0.00 H new ATOM 0 HH2 TRP A 52 13.630 32.816 31.719 1.00 0.00 H new ATOM 801 N THR A 53 13.947 30.686 40.026 1.00 0.00 N ATOM 802 CA THR A 53 14.140 30.433 41.450 1.00 0.00 C ATOM 803 C THR A 53 12.917 30.878 42.237 1.00 0.00 C ATOM 804 O THR A 53 12.379 31.961 42.005 1.00 0.00 O ATOM 805 CB THR A 53 15.371 31.175 41.957 1.00 0.00 C ATOM 806 OG1 THR A 53 15.450 32.457 41.354 1.00 0.00 O ATOM 807 CG2 THR A 53 16.641 30.382 41.669 1.00 0.00 C ATOM 0 H THR A 53 13.754 31.660 39.794 1.00 0.00 H new ATOM 0 HA THR A 53 14.285 29.362 41.591 1.00 0.00 H new ATOM 0 HB THR A 53 15.279 31.293 43.037 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.243 32.927 41.687 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.506 30.932 42.040 1.00 0.00 H new ATOM 0 HG22 THR A 53 16.586 29.414 42.167 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.741 30.232 40.594 1.00 0.00 H new ATOM 815 N PHE A 54 12.486 30.038 43.173 1.00 0.00 N ATOM 816 CA PHE A 54 11.324 30.340 44.004 1.00 0.00 C ATOM 817 C PHE A 54 10.987 29.156 44.900 1.00 0.00 C ATOM 818 O PHE A 54 10.303 28.224 44.476 1.00 0.00 O ATOM 819 CB PHE A 54 10.120 30.669 43.125 1.00 0.00 C ATOM 820 CG PHE A 54 9.272 31.786 43.683 1.00 0.00 C ATOM 821 CD1 PHE A 54 9.779 33.073 43.755 1.00 0.00 C ATOM 822 CD2 PHE A 54 7.985 31.524 44.123 1.00 0.00 C ATOM 823 CE1 PHE A 54 9.000 34.097 44.267 1.00 0.00 C ATOM 824 CE2 PHE A 54 7.206 32.548 44.635 1.00 0.00 C ATOM 825 CZ PHE A 54 7.713 33.835 44.707 1.00 0.00 C ATOM 0 H PHE A 54 12.925 29.140 43.376 1.00 0.00 H new ATOM 0 HA PHE A 54 11.564 31.201 44.627 1.00 0.00 H new ATOM 0 HB2 PHE A 54 10.468 30.946 42.130 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.506 29.776 43.010 1.00 0.00 H new ATOM 0 HD1 PHE A 54 10.782 33.278 43.412 1.00 0.00 H new ATOM 0 HD2 PHE A 54 7.589 30.521 44.067 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.396 35.100 44.323 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.203 32.343 44.978 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.105 34.634 45.106 1.00 0.00 H new ATOM 835 N ASP A 55 11.456 29.196 46.146 1.00 0.00 N ATOM 836 CA ASP A 55 11.181 28.119 47.093 1.00 0.00 C ATOM 837 C ASP A 55 10.045 28.512 48.014 1.00 0.00 C ATOM 838 O ASP A 55 9.982 28.094 49.170 1.00 0.00 O ATOM 839 CB ASP A 55 12.425 27.787 47.910 1.00 0.00 C ATOM 840 CG ASP A 55 12.501 26.289 48.175 1.00 0.00 C ATOM 841 OD1 ASP A 55 11.483 25.596 47.969 1.00 0.00 O ATOM 842 OD2 ASP A 55 13.579 25.812 48.589 1.00 0.00 O ATOM 0 H ASP A 55 12.024 29.956 46.520 1.00 0.00 H new ATOM 0 HA ASP A 55 10.892 27.232 46.529 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.317 28.114 47.376 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.403 28.329 48.855 1.00 0.00 H new ATOM 847 N SER A 56 9.146 29.315 47.477 1.00 0.00 N ATOM 848 CA SER A 56 7.977 29.789 48.216 1.00 0.00 C ATOM 849 C SER A 56 8.369 30.267 49.609 1.00 0.00 C ATOM 850 O SER A 56 9.552 30.347 49.942 1.00 0.00 O ATOM 851 CB SER A 56 6.946 28.670 48.324 1.00 0.00 C ATOM 852 OG SER A 56 5.817 29.103 49.067 1.00 0.00 O ATOM 0 H SER A 56 9.200 29.660 46.519 1.00 0.00 H new ATOM 0 HA SER A 56 7.546 30.631 47.674 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.634 28.357 47.327 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.394 27.801 48.805 1.00 0.00 H new ATOM 0 HG SER A 56 5.001 28.931 48.552 1.00 0.00 H new ATOM 858 N GLU A 57 7.365 30.582 50.417 1.00 0.00 N ATOM 859 CA GLU A 57 7.591 31.052 51.780 1.00 0.00 C ATOM 860 C GLU A 57 7.367 29.918 52.772 1.00 0.00 C ATOM 861 O GLU A 57 8.175 29.701 53.675 1.00 0.00 O ATOM 862 CB GLU A 57 6.647 32.211 52.094 1.00 0.00 C ATOM 863 CG GLU A 57 7.417 33.513 52.296 1.00 0.00 C ATOM 864 CD GLU A 57 6.447 34.671 52.494 1.00 0.00 C ATOM 865 OE1 GLU A 57 5.358 34.646 51.884 1.00 0.00 O ATOM 866 OE2 GLU A 57 6.779 35.600 53.259 1.00 0.00 O ATOM 0 H GLU A 57 6.382 30.521 50.152 1.00 0.00 H new ATOM 0 HA GLU A 57 8.621 31.397 51.866 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.932 32.331 51.280 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.073 31.982 52.992 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.073 33.426 53.162 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.054 33.706 51.432 1.00 0.00 H new ATOM 873 N GLU A 58 6.262 29.200 52.599 1.00 0.00 N ATOM 874 CA GLU A 58 5.923 28.085 53.478 1.00 0.00 C ATOM 875 C GLU A 58 6.965 26.975 53.358 1.00 0.00 C ATOM 876 O GLU A 58 7.122 26.380 52.292 1.00 0.00 O ATOM 877 CB GLU A 58 4.546 27.540 53.111 1.00 0.00 C ATOM 878 CG GLU A 58 4.475 27.167 51.632 1.00 0.00 C ATOM 879 CD GLU A 58 3.132 27.583 51.047 1.00 0.00 C ATOM 880 OE1 GLU A 58 3.009 28.744 50.604 1.00 0.00 O ATOM 881 OE2 GLU A 58 2.205 26.746 51.032 1.00 0.00 O ATOM 0 H GLU A 58 5.584 29.371 51.856 1.00 0.00 H new ATOM 0 HA GLU A 58 5.910 28.443 54.508 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.325 26.664 53.721 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.785 28.286 53.337 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.284 27.655 51.088 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.614 26.092 51.514 1.00 0.00 H new ATOM 888 N PRO A 59 7.694 26.677 54.450 1.00 0.00 N ATOM 889 CA PRO A 59 8.726 25.626 54.456 1.00 0.00 C ATOM 890 C PRO A 59 8.131 24.229 54.318 1.00 0.00 C ATOM 891 O PRO A 59 8.311 23.380 55.191 1.00 0.00 O ATOM 892 CB PRO A 59 9.401 25.790 55.812 1.00 0.00 C ATOM 893 CG PRO A 59 8.378 26.437 56.675 1.00 0.00 C ATOM 894 CD PRO A 59 7.583 27.330 55.766 1.00 0.00 C ATOM 0 HA PRO A 59 9.411 25.727 53.614 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.709 24.827 56.219 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.298 26.404 55.735 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.739 25.692 57.149 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.847 27.010 57.475 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.545 27.407 56.088 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.987 28.342 55.746 1.00 0.00 H new ATOM 902 N LEU A 60 7.423 23.993 53.218 1.00 0.00 N ATOM 903 CA LEU A 60 6.805 22.693 52.970 1.00 0.00 C ATOM 904 C LEU A 60 7.727 21.821 52.126 1.00 0.00 C ATOM 905 O LEU A 60 7.696 21.875 50.897 1.00 0.00 O ATOM 906 CB LEU A 60 5.466 22.877 52.261 1.00 0.00 C ATOM 907 CG LEU A 60 4.305 22.450 53.154 1.00 0.00 C ATOM 908 CD1 LEU A 60 2.971 22.746 52.474 1.00 0.00 C ATOM 909 CD2 LEU A 60 4.411 20.968 53.502 1.00 0.00 C ATOM 0 H LEU A 60 7.262 24.683 52.484 1.00 0.00 H new ATOM 0 HA LEU A 60 6.635 22.199 53.927 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.343 23.922 51.976 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.455 22.292 51.341 1.00 0.00 H new ATOM 0 HG LEU A 60 4.355 23.023 54.080 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.154 22.435 53.125 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.892 23.815 52.278 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.913 22.199 51.533 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.574 20.683 54.139 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.388 20.377 52.587 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.347 20.784 54.029 1.00 0.00 H new ATOM 921 N GLN A 61 8.549 21.019 52.796 1.00 0.00 N ATOM 922 CA GLN A 61 9.486 20.133 52.112 1.00 0.00 C ATOM 923 C GLN A 61 8.759 18.913 51.559 1.00 0.00 C ATOM 924 O GLN A 61 8.815 17.830 52.141 1.00 0.00 O ATOM 925 CB GLN A 61 10.579 19.689 53.080 1.00 0.00 C ATOM 926 CG GLN A 61 11.779 20.631 53.029 1.00 0.00 C ATOM 927 CD GLN A 61 12.629 20.469 54.283 1.00 0.00 C ATOM 928 OE1 GLN A 61 12.687 19.388 54.869 1.00 0.00 O ATOM 929 NE2 GLN A 61 13.289 21.545 54.696 1.00 0.00 N ATOM 0 H GLN A 61 8.585 20.964 53.814 1.00 0.00 H new ATOM 0 HA GLN A 61 9.938 20.676 51.282 1.00 0.00 H new ATOM 0 HB2 GLN A 61 10.180 19.659 54.094 1.00 0.00 H new ATOM 0 HB3 GLN A 61 10.898 18.676 52.833 1.00 0.00 H new ATOM 0 HG2 GLN A 61 12.379 20.419 52.144 1.00 0.00 H new ATOM 0 HG3 GLN A 61 11.437 21.663 52.943 1.00 0.00 H new ATOM 0 HE21 GLN A 61 13.211 22.421 54.179 1.00 0.00 H new ATOM 0 HE22 GLN A 61 13.874 21.496 55.530 1.00 0.00 H new ATOM 938 N GLY A 62 8.078 19.094 50.432 1.00 0.00 N ATOM 939 CA GLY A 62 7.340 18.004 49.800 1.00 0.00 C ATOM 940 C GLY A 62 7.372 18.137 48.281 1.00 0.00 C ATOM 941 O GLY A 62 8.211 18.850 47.730 1.00 0.00 O ATOM 0 H GLY A 62 8.021 19.984 49.937 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.772 17.048 50.095 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.307 18.008 50.148 1.00 0.00 H new ATOM 945 N PRO A 63 6.453 17.447 47.582 1.00 0.00 N ATOM 946 CA PRO A 63 6.378 17.490 46.115 1.00 0.00 C ATOM 947 C PRO A 63 5.753 18.786 45.611 1.00 0.00 C ATOM 948 O PRO A 63 4.676 19.180 46.059 1.00 0.00 O ATOM 949 CB PRO A 63 5.504 16.296 45.756 1.00 0.00 C ATOM 950 CG PRO A 63 4.664 16.037 46.965 1.00 0.00 C ATOM 951 CD PRO A 63 5.417 16.573 48.160 1.00 0.00 C ATOM 0 HA PRO A 63 7.367 17.451 45.657 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.884 16.511 44.886 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.111 15.426 45.507 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.694 16.526 46.871 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.473 14.970 47.078 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.758 17.127 48.828 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.859 15.766 48.745 1.00 0.00 H new ATOM 959 N PHE A 64 6.434 19.445 44.679 1.00 0.00 N ATOM 960 CA PHE A 64 5.942 20.698 44.115 1.00 0.00 C ATOM 961 C PHE A 64 5.041 20.428 42.918 1.00 0.00 C ATOM 962 O PHE A 64 4.791 19.277 42.560 1.00 0.00 O ATOM 963 CB PHE A 64 7.115 21.574 43.684 1.00 0.00 C ATOM 964 CG PHE A 64 7.884 22.151 44.845 1.00 0.00 C ATOM 965 CD1 PHE A 64 7.221 22.838 45.850 1.00 0.00 C ATOM 966 CD2 PHE A 64 9.259 21.998 44.904 1.00 0.00 C ATOM 967 CE1 PHE A 64 7.934 23.369 46.912 1.00 0.00 C ATOM 968 CE2 PHE A 64 9.972 22.529 45.964 1.00 0.00 C ATOM 969 CZ PHE A 64 9.310 23.215 46.969 1.00 0.00 C ATOM 0 H PHE A 64 7.327 19.133 44.298 1.00 0.00 H new ATOM 0 HA PHE A 64 5.365 21.216 44.881 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.792 20.985 43.065 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.743 22.388 43.063 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.149 22.959 45.805 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.776 21.463 44.121 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.418 23.903 47.696 1.00 0.00 H new ATOM 0 HE2 PHE A 64 11.044 22.409 46.008 1.00 0.00 H new ATOM 0 HZ PHE A 64 9.866 23.630 47.797 1.00 0.00 H new ATOM 979 N ASN A 65 4.562 21.502 42.300 1.00 0.00 N ATOM 980 CA ASN A 65 3.690 21.401 41.135 1.00 0.00 C ATOM 981 C ASN A 65 3.830 22.654 40.281 1.00 0.00 C ATOM 982 O ASN A 65 3.889 23.766 40.806 1.00 0.00 O ATOM 983 CB ASN A 65 2.239 21.231 41.577 1.00 0.00 C ATOM 984 CG ASN A 65 2.140 20.195 42.689 1.00 0.00 C ATOM 985 OD1 ASN A 65 1.799 19.037 42.444 1.00 0.00 O ATOM 986 ND2 ASN A 65 2.438 20.611 43.914 1.00 0.00 N ATOM 0 H ASN A 65 4.765 22.459 42.589 1.00 0.00 H new ATOM 0 HA ASN A 65 3.981 20.531 40.547 1.00 0.00 H new ATOM 0 HB2 ASN A 65 1.844 22.186 41.925 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.628 20.923 40.729 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.389 19.962 44.699 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.716 21.580 44.070 1.00 0.00 H new ATOM 993 N PHE A 66 3.890 22.474 38.966 1.00 0.00 N ATOM 994 CA PHE A 66 4.032 23.602 38.051 1.00 0.00 C ATOM 995 C PHE A 66 2.877 23.648 37.059 1.00 0.00 C ATOM 996 O PHE A 66 1.965 22.823 37.108 1.00 0.00 O ATOM 997 CB PHE A 66 5.350 23.503 37.291 1.00 0.00 C ATOM 998 CG PHE A 66 6.562 23.648 38.177 1.00 0.00 C ATOM 999 CD1 PHE A 66 7.026 22.563 38.902 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.218 24.866 38.260 1.00 0.00 C ATOM 1001 CE1 PHE A 66 8.143 22.695 39.710 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.335 24.998 39.068 1.00 0.00 C ATOM 1003 CZ PHE A 66 8.798 23.913 39.793 1.00 0.00 C ATOM 0 H PHE A 66 3.843 21.562 38.511 1.00 0.00 H new ATOM 0 HA PHE A 66 4.022 24.517 38.643 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.395 22.541 36.780 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.377 24.275 36.522 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.516 21.613 38.837 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.858 25.713 37.694 1.00 0.00 H new ATOM 0 HE1 PHE A 66 8.504 21.848 40.275 1.00 0.00 H new ATOM 0 HE2 PHE A 66 8.845 25.948 39.133 1.00 0.00 H new ATOM 0 HZ PHE A 66 9.669 24.016 40.423 1.00 0.00 H new ATOM 1013 N ARG A 67 2.933 24.625 36.157 1.00 0.00 N ATOM 1014 CA ARG A 67 1.906 24.809 35.136 1.00 0.00 C ATOM 1015 C ARG A 67 2.202 26.068 34.333 1.00 0.00 C ATOM 1016 O ARG A 67 1.322 26.903 34.121 1.00 0.00 O ATOM 1017 CB ARG A 67 0.533 24.929 35.788 1.00 0.00 C ATOM 1018 CG ARG A 67 0.482 26.127 36.729 1.00 0.00 C ATOM 1019 CD ARG A 67 -0.548 27.151 36.262 1.00 0.00 C ATOM 1020 NE ARG A 67 -1.598 27.305 37.262 1.00 0.00 N ATOM 1021 CZ ARG A 67 -2.877 27.420 36.921 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -3.272 28.424 36.150 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -3.762 26.532 37.351 1.00 0.00 N ATOM 0 H ARG A 67 3.689 25.309 36.114 1.00 0.00 H new ATOM 0 HA ARG A 67 1.909 23.945 34.472 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.232 25.033 35.018 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.307 24.017 36.341 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.235 25.792 37.736 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.465 26.594 36.781 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.062 28.110 36.084 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.983 26.833 35.314 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.344 27.325 38.250 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.594 29.109 35.818 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.254 28.511 35.889 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.462 25.759 37.945 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.743 26.622 37.088 1.00 0.00 H new ATOM 1037 N PHE A 68 3.451 26.205 33.900 1.00 0.00 N ATOM 1038 CA PHE A 68 3.877 27.372 33.132 1.00 0.00 C ATOM 1039 C PHE A 68 2.911 27.661 31.994 1.00 0.00 C ATOM 1040 O PHE A 68 1.999 26.880 31.719 1.00 0.00 O ATOM 1041 CB PHE A 68 5.276 27.150 32.568 1.00 0.00 C ATOM 1042 CG PHE A 68 5.483 25.757 32.028 1.00 0.00 C ATOM 1043 CD1 PHE A 68 4.665 25.275 31.019 1.00 0.00 C ATOM 1044 CD2 PHE A 68 6.493 24.959 32.539 1.00 0.00 C ATOM 1045 CE1 PHE A 68 4.857 23.997 30.522 1.00 0.00 C ATOM 1046 CE2 PHE A 68 6.685 23.681 32.042 1.00 0.00 C ATOM 1047 CZ PHE A 68 5.867 23.200 31.033 1.00 0.00 C ATOM 0 H PHE A 68 4.189 25.521 34.068 1.00 0.00 H new ATOM 0 HA PHE A 68 3.888 28.229 33.805 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.459 27.872 31.773 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.011 27.343 33.349 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.877 25.897 30.620 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.131 25.334 33.326 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.219 23.622 29.736 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.473 23.059 32.441 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.017 22.203 30.645 1.00 0.00 H new ATOM 1057 N LEU A 69 3.127 28.791 31.333 1.00 0.00 N ATOM 1058 CA LEU A 69 2.289 29.204 30.213 1.00 0.00 C ATOM 1059 C LEU A 69 3.154 29.393 28.976 1.00 0.00 C ATOM 1060 O LEU A 69 3.409 30.521 28.554 1.00 0.00 O ATOM 1061 CB LEU A 69 1.559 30.509 30.539 1.00 0.00 C ATOM 1062 CG LEU A 69 1.189 30.601 32.020 1.00 0.00 C ATOM 1063 CD1 LEU A 69 0.541 31.948 32.328 1.00 0.00 C ATOM 1064 CD2 LEU A 69 0.259 29.457 32.414 1.00 0.00 C ATOM 0 H LEU A 69 3.880 29.442 31.555 1.00 0.00 H new ATOM 0 HA LEU A 69 1.545 28.429 30.026 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.191 31.355 30.269 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.655 30.580 29.934 1.00 0.00 H new ATOM 0 HG LEU A 69 2.104 30.517 32.607 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.285 31.995 33.386 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.238 32.751 32.088 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.363 32.062 31.730 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.007 29.540 33.471 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.653 29.508 31.819 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.757 28.504 32.234 1.00 0.00 H new ATOM 1076 N THR A 70 3.616 28.278 28.407 1.00 0.00 N ATOM 1077 CA THR A 70 4.476 28.294 27.218 1.00 0.00 C ATOM 1078 C THR A 70 4.060 29.385 26.236 1.00 0.00 C ATOM 1079 O THR A 70 2.872 29.654 26.051 1.00 0.00 O ATOM 1080 CB THR A 70 4.431 26.934 26.530 1.00 0.00 C ATOM 1081 OG1 THR A 70 3.254 26.240 26.909 1.00 0.00 O ATOM 1082 CG2 THR A 70 5.663 26.107 26.886 1.00 0.00 C ATOM 0 H THR A 70 3.407 27.342 28.754 1.00 0.00 H new ATOM 0 HA THR A 70 5.494 28.509 27.544 1.00 0.00 H new ATOM 0 HB THR A 70 4.423 27.092 25.452 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.474 26.815 26.764 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.610 25.141 26.384 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.561 26.634 26.564 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.699 25.954 27.965 1.00 0.00 H new ATOM 1090 N GLU A 71 5.053 30.013 25.616 1.00 0.00 N ATOM 1091 CA GLU A 71 4.811 31.082 24.654 1.00 0.00 C ATOM 1092 C GLU A 71 3.808 30.638 23.595 1.00 0.00 C ATOM 1093 O GLU A 71 2.692 31.153 23.532 1.00 0.00 O ATOM 1094 CB GLU A 71 6.127 31.491 23.996 1.00 0.00 C ATOM 1095 CG GLU A 71 7.175 31.866 25.043 1.00 0.00 C ATOM 1096 CD GLU A 71 7.339 33.379 25.104 1.00 0.00 C ATOM 1097 OE1 GLU A 71 6.337 34.076 25.369 1.00 0.00 O ATOM 1098 OE2 GLU A 71 8.469 33.864 24.886 1.00 0.00 O ATOM 0 H GLU A 71 6.039 29.798 25.764 1.00 0.00 H new ATOM 0 HA GLU A 71 4.392 31.939 25.182 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.500 30.671 23.382 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.956 32.336 23.330 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.876 31.486 26.020 1.00 0.00 H new ATOM 0 HG3 GLU A 71 8.129 31.399 24.797 1.00 0.00 H new ATOM 1105 N LYS A 72 4.209 29.681 22.764 1.00 0.00 N ATOM 1106 CA LYS A 72 3.337 29.172 21.707 1.00 0.00 C ATOM 1107 C LYS A 72 3.224 27.655 21.785 1.00 0.00 C ATOM 1108 O LYS A 72 3.060 26.982 20.767 1.00 0.00 O ATOM 1109 CB LYS A 72 3.867 29.590 20.335 1.00 0.00 C ATOM 1110 CG LYS A 72 5.387 29.481 20.264 1.00 0.00 C ATOM 1111 CD LYS A 72 5.856 28.076 20.621 1.00 0.00 C ATOM 1112 CE LYS A 72 7.238 27.789 20.040 1.00 0.00 C ATOM 1113 NZ LYS A 72 7.184 26.697 19.028 1.00 0.00 N ATOM 0 H LYS A 72 5.129 29.242 22.800 1.00 0.00 H new ATOM 0 HA LYS A 72 2.344 29.600 21.847 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.420 28.962 19.565 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.565 30.616 20.125 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.726 29.736 19.260 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.838 30.202 20.946 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.884 27.964 21.705 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.141 27.345 20.244 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.637 28.694 19.581 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.921 27.511 20.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.138 26.525 18.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.826 25.828 19.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.550 26.974 18.251 1.00 0.00 H new ATOM 1127 N GLY A 73 3.311 27.121 22.998 1.00 0.00 N ATOM 1128 CA GLY A 73 3.216 25.680 23.209 1.00 0.00 C ATOM 1129 C GLY A 73 1.873 25.315 23.827 1.00 0.00 C ATOM 1130 O GLY A 73 0.859 25.238 23.133 1.00 0.00 O ATOM 0 H GLY A 73 3.447 27.664 23.851 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.339 25.159 22.259 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.024 25.349 23.861 1.00 0.00 H new ATOM 1134 N MET A 74 1.872 25.091 25.137 1.00 0.00 N ATOM 1135 CA MET A 74 0.654 24.734 25.855 1.00 0.00 C ATOM 1136 C MET A 74 0.961 24.478 27.325 1.00 0.00 C ATOM 1137 O MET A 74 1.995 23.901 27.663 1.00 0.00 O ATOM 1138 CB MET A 74 0.023 23.492 25.231 1.00 0.00 C ATOM 1139 CG MET A 74 1.053 22.383 25.028 1.00 0.00 C ATOM 1140 SD MET A 74 1.105 21.232 26.411 1.00 0.00 S ATOM 1141 CE MET A 74 2.622 20.336 26.046 1.00 0.00 C ATOM 0 H MET A 74 2.704 25.151 25.724 1.00 0.00 H new ATOM 0 HA MET A 74 -0.048 25.564 25.783 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.781 23.130 25.872 1.00 0.00 H new ATOM 0 HB3 MET A 74 -0.426 23.753 24.273 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.820 21.837 24.114 1.00 0.00 H new ATOM 0 HG3 MET A 74 2.039 22.827 24.892 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.126 20.079 26.978 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.383 19.424 25.499 1.00 0.00 H new ATOM 0 HE3 MET A 74 3.277 20.962 25.440 1.00 0.00 H new ATOM 1151 N LYS A 75 0.057 24.910 28.198 1.00 0.00 N ATOM 1152 CA LYS A 75 0.229 24.729 29.636 1.00 0.00 C ATOM 1153 C LYS A 75 0.076 23.261 30.004 1.00 0.00 C ATOM 1154 O LYS A 75 -0.185 22.419 29.145 1.00 0.00 O ATOM 1155 CB LYS A 75 -0.798 25.561 30.396 1.00 0.00 C ATOM 1156 CG LYS A 75 -0.796 27.009 29.919 1.00 0.00 C ATOM 1157 CD LYS A 75 -1.909 27.254 28.906 1.00 0.00 C ATOM 1158 CE LYS A 75 -2.504 28.650 29.065 1.00 0.00 C ATOM 1159 NZ LYS A 75 -3.994 28.607 29.065 1.00 0.00 N ATOM 0 H LYS A 75 -0.804 25.389 27.935 1.00 0.00 H new ATOM 0 HA LYS A 75 1.230 25.061 29.911 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.791 25.132 30.260 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.580 25.527 31.463 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.922 27.676 30.772 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.168 27.246 29.469 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.517 27.136 27.896 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.691 26.506 29.034 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.151 29.094 29.996 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.157 29.290 28.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.369 29.571 29.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.330 28.205 28.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.324 28.015 29.854 1.00 0.00 H new ATOM 1173 N ASN A 76 0.239 22.961 31.289 1.00 0.00 N ATOM 1174 CA ASN A 76 0.118 21.589 31.781 1.00 0.00 C ATOM 1175 C ASN A 76 0.589 21.495 33.226 1.00 0.00 C ATOM 1176 O ASN A 76 1.664 21.983 33.573 1.00 0.00 O ATOM 1177 CB ASN A 76 0.942 20.641 30.912 1.00 0.00 C ATOM 1178 CG ASN A 76 0.024 19.792 30.044 1.00 0.00 C ATOM 1179 OD1 ASN A 76 0.001 19.933 28.822 1.00 0.00 O ATOM 1180 ND2 ASN A 76 -0.737 18.906 30.678 1.00 0.00 N ATOM 0 H ASN A 76 0.455 23.649 32.010 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.932 21.301 31.732 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.623 21.213 30.282 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.555 19.998 31.543 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.373 18.309 30.149 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.685 18.823 31.693 1.00 0.00 H new ATOM 1187 N VAL A 77 -0.219 20.854 34.064 1.00 0.00 N ATOM 1188 CA VAL A 77 0.117 20.684 35.473 1.00 0.00 C ATOM 1189 C VAL A 77 0.998 19.454 35.652 1.00 0.00 C ATOM 1190 O VAL A 77 0.907 18.499 34.881 1.00 0.00 O ATOM 1191 CB VAL A 77 -1.157 20.537 36.300 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -0.818 20.337 37.774 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -2.060 21.754 36.118 1.00 0.00 C ATOM 0 H VAL A 77 -1.112 20.443 33.791 1.00 0.00 H new ATOM 0 HA VAL A 77 0.661 21.564 35.816 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.694 19.656 35.948 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.739 20.234 38.348 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.215 19.436 37.890 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.257 21.198 38.138 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.963 21.630 36.716 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.531 22.651 36.441 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.331 21.852 35.067 1.00 0.00 H new ATOM 1203 N PHE A 78 1.853 19.481 36.669 1.00 0.00 N ATOM 1204 CA PHE A 78 2.750 18.363 36.938 1.00 0.00 C ATOM 1205 C PHE A 78 2.816 18.075 38.432 1.00 0.00 C ATOM 1206 O PHE A 78 3.062 18.972 39.238 1.00 0.00 O ATOM 1207 CB PHE A 78 4.146 18.674 36.406 1.00 0.00 C ATOM 1208 CG PHE A 78 4.144 19.058 34.948 1.00 0.00 C ATOM 1209 CD1 PHE A 78 4.263 18.082 33.973 1.00 0.00 C ATOM 1210 CD2 PHE A 78 4.019 20.388 34.582 1.00 0.00 C ATOM 1211 CE1 PHE A 78 4.257 18.434 32.634 1.00 0.00 C ATOM 1212 CE2 PHE A 78 4.013 20.741 33.242 1.00 0.00 C ATOM 1213 CZ PHE A 78 4.132 19.764 32.269 1.00 0.00 C ATOM 0 H PHE A 78 1.944 20.262 37.319 1.00 0.00 H new ATOM 0 HA PHE A 78 2.362 17.479 36.431 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.580 19.486 36.990 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.786 17.803 36.547 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.361 17.045 34.257 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.926 21.150 35.341 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.350 17.672 31.875 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.915 21.778 32.957 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.127 20.039 31.225 1.00 0.00 H new ATOM 1223 N ASP A 79 2.598 16.814 38.794 1.00 0.00 N ATOM 1224 CA ASP A 79 2.636 16.398 40.192 1.00 0.00 C ATOM 1225 C ASP A 79 3.890 15.578 40.463 1.00 0.00 C ATOM 1226 O ASP A 79 4.468 14.990 39.548 1.00 0.00 O ATOM 1227 CB ASP A 79 1.394 15.576 40.526 1.00 0.00 C ATOM 1228 CG ASP A 79 1.375 15.227 42.008 1.00 0.00 C ATOM 1229 OD1 ASP A 79 1.423 16.157 42.840 1.00 0.00 O ATOM 1230 OD2 ASP A 79 1.313 14.023 42.336 1.00 0.00 O ATOM 0 H ASP A 79 2.393 16.061 38.137 1.00 0.00 H new ATOM 0 HA ASP A 79 2.654 17.287 40.822 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.497 16.138 40.266 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.382 14.663 39.930 1.00 0.00 H new ATOM 1235 N ASP A 80 4.309 15.542 41.723 1.00 0.00 N ATOM 1236 CA ASP A 80 5.499 14.793 42.115 1.00 0.00 C ATOM 1237 C ASP A 80 6.682 15.181 41.237 1.00 0.00 C ATOM 1238 O ASP A 80 7.338 14.322 40.647 1.00 0.00 O ATOM 1239 CB ASP A 80 5.234 13.295 41.999 1.00 0.00 C ATOM 1240 CG ASP A 80 6.322 12.511 42.719 1.00 0.00 C ATOM 1241 OD1 ASP A 80 6.586 12.809 43.903 1.00 0.00 O ATOM 1242 OD2 ASP A 80 6.910 11.601 42.098 1.00 0.00 O ATOM 0 H ASP A 80 3.842 16.023 42.492 1.00 0.00 H new ATOM 0 HA ASP A 80 5.738 15.034 43.151 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.260 13.056 42.427 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.201 13.004 40.949 1.00 0.00 H new ATOM 1247 N VAL A 81 6.948 16.480 41.153 1.00 0.00 N ATOM 1248 CA VAL A 81 8.052 16.990 40.345 1.00 0.00 C ATOM 1249 C VAL A 81 9.352 16.973 41.142 1.00 0.00 C ATOM 1250 O VAL A 81 10.440 16.925 40.568 1.00 0.00 O ATOM 1251 CB VAL A 81 7.740 18.412 39.883 1.00 0.00 C ATOM 1252 CG1 VAL A 81 8.908 18.993 39.089 1.00 0.00 C ATOM 1253 CG2 VAL A 81 6.464 18.433 39.046 1.00 0.00 C ATOM 0 H VAL A 81 6.413 17.202 41.636 1.00 0.00 H new ATOM 0 HA VAL A 81 8.174 16.347 39.473 1.00 0.00 H new ATOM 0 HB VAL A 81 7.587 19.031 40.767 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.663 20.006 38.770 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.799 19.015 39.716 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.097 18.373 38.213 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.256 19.454 38.725 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.593 17.796 38.171 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.631 18.064 39.644 1.00 0.00 H new ATOM 1263 N VAL A 82 9.235 17.017 42.465 1.00 0.00 N ATOM 1264 CA VAL A 82 10.406 17.010 43.336 1.00 0.00 C ATOM 1265 C VAL A 82 10.168 16.114 44.547 1.00 0.00 C ATOM 1266 O VAL A 82 9.085 16.124 45.133 1.00 0.00 O ATOM 1267 CB VAL A 82 10.718 18.429 43.801 1.00 0.00 C ATOM 1268 CG1 VAL A 82 11.991 18.447 44.644 1.00 0.00 C ATOM 1269 CG2 VAL A 82 10.853 19.367 42.605 1.00 0.00 C ATOM 0 H VAL A 82 8.343 17.058 42.958 1.00 0.00 H new ATOM 0 HA VAL A 82 11.253 16.620 42.772 1.00 0.00 H new ATOM 0 HB VAL A 82 9.891 18.779 44.419 1.00 0.00 H new ATOM 0 HG11 VAL A 82 12.199 19.467 44.967 1.00 0.00 H new ATOM 0 HG12 VAL A 82 11.858 17.809 45.518 1.00 0.00 H new ATOM 0 HG13 VAL A 82 12.826 18.078 44.049 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.076 20.375 42.956 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.661 19.021 41.960 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.919 19.377 42.043 1.00 0.00 H new ATOM 1279 N PRO A 83 11.183 15.327 44.944 1.00 0.00 N ATOM 1280 CA PRO A 83 11.081 14.424 46.103 1.00 0.00 C ATOM 1281 C PRO A 83 11.079 15.187 47.422 1.00 0.00 C ATOM 1282 O PRO A 83 10.921 16.408 47.443 1.00 0.00 O ATOM 1283 CB PRO A 83 12.323 13.549 45.996 1.00 0.00 C ATOM 1284 CG PRO A 83 13.308 14.363 45.225 1.00 0.00 C ATOM 1285 CD PRO A 83 12.511 15.255 44.308 1.00 0.00 C ATOM 0 HA PRO A 83 10.151 13.856 46.094 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.710 13.292 46.982 1.00 0.00 H new ATOM 0 HB3 PRO A 83 12.102 12.611 45.486 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.930 14.955 45.896 1.00 0.00 H new ATOM 0 HG3 PRO A 83 13.978 13.720 44.654 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.964 16.242 44.218 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.450 14.840 43.302 1.00 0.00 H new ATOM 1293 N GLU A 84 11.262 14.463 48.522 1.00 0.00 N ATOM 1294 CA GLU A 84 11.288 15.076 49.846 1.00 0.00 C ATOM 1295 C GLU A 84 12.561 15.896 50.017 1.00 0.00 C ATOM 1296 O GLU A 84 12.542 17.121 49.898 1.00 0.00 O ATOM 1297 CB GLU A 84 11.216 13.998 50.924 1.00 0.00 C ATOM 1298 CG GLU A 84 9.792 13.834 51.447 1.00 0.00 C ATOM 1299 CD GLU A 84 9.271 12.438 51.133 1.00 0.00 C ATOM 1300 OE1 GLU A 84 9.434 11.988 49.979 1.00 0.00 O ATOM 1301 OE2 GLU A 84 8.702 11.797 52.041 1.00 0.00 O ATOM 0 H GLU A 84 11.394 13.452 48.523 1.00 0.00 H new ATOM 0 HA GLU A 84 10.425 15.735 49.945 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.568 13.050 50.518 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.881 14.259 51.748 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.771 14.004 52.523 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.142 14.583 50.993 1.00 0.00 H new ATOM 1308 N LYS A 85 13.668 15.211 50.287 1.00 0.00 N ATOM 1309 CA LYS A 85 14.955 15.876 50.465 1.00 0.00 C ATOM 1310 C LYS A 85 15.696 15.941 49.136 1.00 0.00 C ATOM 1311 O LYS A 85 16.688 15.241 48.930 1.00 0.00 O ATOM 1312 CB LYS A 85 15.795 15.126 51.495 1.00 0.00 C ATOM 1313 CG LYS A 85 16.087 13.699 51.041 1.00 0.00 C ATOM 1314 CD LYS A 85 15.761 12.693 52.141 1.00 0.00 C ATOM 1315 CE LYS A 85 16.853 11.634 52.264 1.00 0.00 C ATOM 1316 NZ LYS A 85 16.962 10.822 51.019 1.00 0.00 N ATOM 0 H LYS A 85 13.700 14.196 50.387 1.00 0.00 H new ATOM 0 HA LYS A 85 14.781 16.891 50.824 1.00 0.00 H new ATOM 0 HB2 LYS A 85 16.733 15.657 51.658 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.270 15.106 52.450 1.00 0.00 H new ATOM 0 HG2 LYS A 85 15.501 13.471 50.150 1.00 0.00 H new ATOM 0 HG3 LYS A 85 17.137 13.611 50.763 1.00 0.00 H new ATOM 0 HD2 LYS A 85 15.648 13.214 53.092 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.807 12.212 51.926 1.00 0.00 H new ATOM 0 HE2 LYS A 85 17.808 12.116 52.471 1.00 0.00 H new ATOM 0 HE3 LYS A 85 16.636 10.981 53.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 17.665 10.068 51.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 16.038 10.398 50.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 17.259 11.432 50.231 1.00 0.00 H new ATOM 1330 N TYR A 86 15.203 16.786 48.234 1.00 0.00 N ATOM 1331 CA TYR A 86 15.808 16.950 46.913 1.00 0.00 C ATOM 1332 C TYR A 86 17.316 17.130 47.028 1.00 0.00 C ATOM 1333 O TYR A 86 17.816 17.655 48.023 1.00 0.00 O ATOM 1334 CB TYR A 86 15.195 18.158 46.212 1.00 0.00 C ATOM 1335 CG TYR A 86 15.556 19.463 46.875 1.00 0.00 C ATOM 1336 CD1 TYR A 86 16.811 20.015 46.681 1.00 0.00 C ATOM 1337 CD2 TYR A 86 14.635 20.111 47.679 1.00 0.00 C ATOM 1338 CE1 TYR A 86 17.143 21.213 47.291 1.00 0.00 C ATOM 1339 CE2 TYR A 86 14.968 21.309 48.289 1.00 0.00 C ATOM 1340 CZ TYR A 86 16.220 21.854 48.092 1.00 0.00 C ATOM 1341 OH TYR A 86 16.551 23.044 48.698 1.00 0.00 O ATOM 0 H TYR A 86 14.383 17.371 48.394 1.00 0.00 H new ATOM 0 HA TYR A 86 15.612 16.051 46.328 1.00 0.00 H new ATOM 0 HB2 TYR A 86 15.529 18.178 45.174 1.00 0.00 H new ATOM 0 HB3 TYR A 86 14.110 18.052 46.196 1.00 0.00 H new ATOM 0 HD1 TYR A 86 17.531 19.511 46.054 1.00 0.00 H new ATOM 0 HD2 TYR A 86 13.656 19.682 47.831 1.00 0.00 H new ATOM 0 HE1 TYR A 86 18.122 21.644 47.140 1.00 0.00 H new ATOM 0 HE2 TYR A 86 14.250 21.815 48.917 1.00 0.00 H new ATOM 0 HH TYR A 86 15.790 23.365 49.226 1.00 0.00 H new ATOM 1351 N THR A 87 18.037 16.695 46.000 1.00 0.00 N ATOM 1352 CA THR A 87 19.491 16.808 45.978 1.00 0.00 C ATOM 1353 C THR A 87 19.934 17.698 44.825 1.00 0.00 C ATOM 1354 O THR A 87 19.732 17.364 43.657 1.00 0.00 O ATOM 1355 CB THR A 87 20.121 15.425 45.837 1.00 0.00 C ATOM 1356 OG1 THR A 87 19.326 14.458 46.504 1.00 0.00 O ATOM 1357 CG2 THR A 87 21.538 15.416 46.401 1.00 0.00 C ATOM 0 H THR A 87 17.637 16.260 45.169 1.00 0.00 H new ATOM 0 HA THR A 87 19.820 17.256 46.915 1.00 0.00 H new ATOM 0 HB THR A 87 20.171 15.177 44.777 1.00 0.00 H new ATOM 0 HG1 THR A 87 19.737 13.574 46.407 1.00 0.00 H new ATOM 0 HG21 THR A 87 21.968 14.420 46.290 1.00 0.00 H new ATOM 0 HG22 THR A 87 22.150 16.138 45.860 1.00 0.00 H new ATOM 0 HG23 THR A 87 21.511 15.684 47.457 1.00 0.00 H new ATOM 1365 N ILE A 88 20.539 18.833 45.158 1.00 0.00 N ATOM 1366 CA ILE A 88 21.013 19.775 44.150 1.00 0.00 C ATOM 1367 C ILE A 88 21.886 19.058 43.126 1.00 0.00 C ATOM 1368 O ILE A 88 23.000 18.635 43.433 1.00 0.00 O ATOM 1369 CB ILE A 88 21.801 20.899 44.819 1.00 0.00 C ATOM 1370 CG1 ILE A 88 20.915 21.656 45.806 1.00 0.00 C ATOM 1371 CG2 ILE A 88 22.372 21.857 43.778 1.00 0.00 C ATOM 1372 CD1 ILE A 88 19.654 22.181 45.126 1.00 0.00 C ATOM 0 H ILE A 88 20.713 19.124 46.120 1.00 0.00 H new ATOM 0 HA ILE A 88 20.153 20.203 43.635 1.00 0.00 H new ATOM 0 HB ILE A 88 22.632 20.453 45.365 1.00 0.00 H new ATOM 0 HG12 ILE A 88 20.640 20.998 46.630 1.00 0.00 H new ATOM 0 HG13 ILE A 88 21.473 22.488 46.235 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.929 22.649 44.279 1.00 0.00 H new ATOM 0 HG22 ILE A 88 23.038 21.312 43.109 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.557 22.295 43.201 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.044 22.715 45.854 1.00 0.00 H new ATOM 0 HD12 ILE A 88 19.931 22.858 44.318 1.00 0.00 H new ATOM 0 HD13 ILE A 88 19.085 21.345 44.719 1.00 0.00 H new ATOM 1384 N GLY A 89 21.372 18.926 41.907 1.00 0.00 N ATOM 1385 CA GLY A 89 22.103 18.261 40.833 1.00 0.00 C ATOM 1386 C GLY A 89 21.399 16.977 40.415 1.00 0.00 C ATOM 1387 O GLY A 89 22.042 16.007 40.015 1.00 0.00 O ATOM 0 H GLY A 89 20.451 19.271 41.638 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.188 18.930 39.977 1.00 0.00 H new ATOM 0 HA3 GLY A 89 23.117 18.035 41.163 1.00 0.00 H new ATOM 1391 N ALA A 90 20.073 16.976 40.510 1.00 0.00 N ATOM 1392 CA ALA A 90 19.277 15.809 40.141 1.00 0.00 C ATOM 1393 C ALA A 90 18.235 16.186 39.096 1.00 0.00 C ATOM 1394 O ALA A 90 17.953 17.366 38.885 1.00 0.00 O ATOM 1395 CB ALA A 90 18.592 15.236 41.378 1.00 0.00 C ATOM 0 H ALA A 90 19.526 17.771 40.840 1.00 0.00 H new ATOM 0 HA ALA A 90 19.938 15.054 39.716 1.00 0.00 H new ATOM 0 HB1 ALA A 90 18.000 14.366 41.096 1.00 0.00 H new ATOM 0 HB2 ALA A 90 19.346 14.941 42.108 1.00 0.00 H new ATOM 0 HB3 ALA A 90 17.940 15.992 41.816 1.00 0.00 H new ATOM 1401 N THR A 91 17.665 15.179 38.441 1.00 0.00 N ATOM 1402 CA THR A 91 16.654 15.408 37.414 1.00 0.00 C ATOM 1403 C THR A 91 15.339 14.738 37.795 1.00 0.00 C ATOM 1404 O THR A 91 15.096 13.582 37.450 1.00 0.00 O ATOM 1405 CB THR A 91 17.141 14.866 36.073 1.00 0.00 C ATOM 1406 OG1 THR A 91 18.490 15.249 35.856 1.00 0.00 O ATOM 1407 CG2 THR A 91 16.263 15.373 34.932 1.00 0.00 C ATOM 0 H THR A 91 17.886 14.197 38.603 1.00 0.00 H new ATOM 0 HA THR A 91 16.486 16.482 37.329 1.00 0.00 H new ATOM 0 HB THR A 91 17.077 13.778 36.098 1.00 0.00 H new ATOM 0 HG1 THR A 91 18.796 14.896 34.994 1.00 0.00 H new ATOM 0 HG21 THR A 91 16.629 14.974 33.986 1.00 0.00 H new ATOM 0 HG22 THR A 91 15.235 15.046 35.091 1.00 0.00 H new ATOM 0 HG23 THR A 91 16.297 16.462 34.903 1.00 0.00 H new ATOM 1415 N TYR A 92 14.489 15.475 38.504 1.00 0.00 N ATOM 1416 CA TYR A 92 13.192 14.960 38.929 1.00 0.00 C ATOM 1417 C TYR A 92 12.146 15.241 37.858 1.00 0.00 C ATOM 1418 O TYR A 92 12.487 15.508 36.706 1.00 0.00 O ATOM 1419 CB TYR A 92 12.789 15.612 40.248 1.00 0.00 C ATOM 1420 CG TYR A 92 13.869 15.520 41.295 1.00 0.00 C ATOM 1421 CD1 TYR A 92 14.314 14.280 41.721 1.00 0.00 C ATOM 1422 CD2 TYR A 92 14.420 16.672 41.829 1.00 0.00 C ATOM 1423 CE1 TYR A 92 15.309 14.194 42.681 1.00 0.00 C ATOM 1424 CE2 TYR A 92 15.415 16.583 42.789 1.00 0.00 C ATOM 1425 CZ TYR A 92 15.854 15.345 43.210 1.00 0.00 C ATOM 1426 OH TYR A 92 16.843 15.258 44.163 1.00 0.00 O ATOM 0 H TYR A 92 14.676 16.434 38.797 1.00 0.00 H new ATOM 0 HA TYR A 92 13.261 13.882 39.074 1.00 0.00 H new ATOM 0 HB2 TYR A 92 12.548 16.660 40.072 1.00 0.00 H new ATOM 0 HB3 TYR A 92 11.883 15.135 40.623 1.00 0.00 H new ATOM 0 HD1 TYR A 92 13.886 13.380 41.305 1.00 0.00 H new ATOM 0 HD2 TYR A 92 14.074 17.640 41.497 1.00 0.00 H new ATOM 0 HE1 TYR A 92 15.657 13.228 43.014 1.00 0.00 H new ATOM 0 HE2 TYR A 92 15.846 17.481 43.207 1.00 0.00 H new ATOM 0 HH TYR A 92 17.363 14.439 44.021 1.00 0.00 H new ATOM 1436 N ALA A 93 10.870 15.184 38.236 1.00 0.00 N ATOM 1437 CA ALA A 93 9.780 15.438 37.297 1.00 0.00 C ATOM 1438 C ALA A 93 9.637 14.276 36.319 1.00 0.00 C ATOM 1439 O ALA A 93 10.419 13.327 36.355 1.00 0.00 O ATOM 1440 CB ALA A 93 10.040 16.728 36.533 1.00 0.00 C ATOM 0 H ALA A 93 10.566 14.964 39.185 1.00 0.00 H new ATOM 0 HA ALA A 93 8.852 15.537 37.861 1.00 0.00 H new ATOM 0 HB1 ALA A 93 9.222 16.909 35.835 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.109 17.559 37.235 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.976 16.641 35.980 1.00 0.00 H new ATOM 1446 N PRO A 94 8.630 14.337 35.429 1.00 0.00 N ATOM 1447 CA PRO A 94 8.388 13.280 34.436 1.00 0.00 C ATOM 1448 C PRO A 94 9.386 13.336 33.285 1.00 0.00 C ATOM 1449 O PRO A 94 9.106 14.034 32.288 1.00 0.00 O ATOM 1450 CB PRO A 94 6.977 13.558 33.940 1.00 0.00 C ATOM 1451 CG PRO A 94 6.749 15.016 34.177 1.00 0.00 C ATOM 1452 CD PRO A 94 7.650 15.432 35.316 1.00 0.00 C ATOM 0 HA PRO A 94 8.503 12.285 34.866 1.00 0.00 H new ATOM 0 HB2 PRO A 94 6.877 13.312 32.883 1.00 0.00 H new ATOM 0 HB3 PRO A 94 6.246 12.954 34.478 1.00 0.00 H new ATOM 0 HG2 PRO A 94 6.974 15.591 33.279 1.00 0.00 H new ATOM 0 HG3 PRO A 94 5.705 15.207 34.424 1.00 0.00 H new ATOM 0 HD2 PRO A 94 8.140 16.383 35.108 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.088 15.559 36.241 1.00 0.00 H new TER 1460 PRO A 94