USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 808 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 71 ASN :FLIP amide:sc= 0.346 F(o=0,f=0.72) USER MOD Set 1.2: A 77 THR OG1 : rot 103:sc= 0.375 USER MOD Set 2.1: A 62 SER OG : rot 140:sc= -0.883 USER MOD Set 2.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 41 THR OG1 : rot -121:sc= 0.931 USER MOD Set 3.2: A 79 THR OG1 : rot 180:sc= 1.06 USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.0233 (180deg=0) USER MOD Single : A 2 SER OG : rot 2:sc= 0.25 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0348 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -70:sc= 1.06 USER MOD Single : A 13 GLN : amide:sc= -0.431 X(o=-0.43,f=-0.3) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0706 K(o=-0.071,f=-1.3) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc=-0.00961 F(o=-1.5!,f=-0.0096) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 55:sc= 0.156 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 180:sc= -1.16 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot -16:sc= 1.17 USER MOD Single : A 88 TYR OH : rot 123:sc= 1.1 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.215) USER MOD Single : A 94 TYR OH : rot 130:sc= -0.124 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -1.32 X(o=-1.3,f=-1.3) USER MOD Single : A 102 SER OG : rot 160:sc= -2.04 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 57:sc= 0.827 USER MOD Single : A 115 CYS SG : rot 180:sc= 0.00909 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.083 49.078 -3.859 1.00 0.00 N ATOM 2 CA GLY A 1 -1.130 48.792 -4.821 1.00 0.00 C ATOM 3 C GLY A 1 -2.288 48.029 -4.209 1.00 0.00 C ATOM 4 O GLY A 1 -2.098 47.233 -3.289 1.00 0.00 O ATOM 0 H1 GLY A 1 0.846 48.950 -4.309 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.175 50.059 -3.528 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.168 48.430 -3.050 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.498 49.728 -5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.713 48.214 -5.646 1.00 0.00 H new ATOM 8 N SER A 2 -3.491 48.272 -4.719 1.00 0.00 N ATOM 9 CA SER A 2 -4.685 47.605 -4.212 1.00 0.00 C ATOM 10 C SER A 2 -5.782 47.578 -5.271 1.00 0.00 C ATOM 11 O SER A 2 -5.847 48.451 -6.136 1.00 0.00 O ATOM 12 CB SER A 2 -5.193 48.311 -2.953 1.00 0.00 C ATOM 13 OG SER A 2 -4.250 48.216 -1.899 1.00 0.00 O ATOM 0 H SER A 2 -3.665 48.925 -5.483 1.00 0.00 H new ATOM 0 HA SER A 2 -4.420 46.578 -3.962 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.390 49.360 -3.175 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.138 47.868 -2.640 1.00 0.00 H new ATOM 0 HG SER A 2 -3.455 47.737 -2.213 1.00 0.00 H new ATOM 19 N SER A 3 -6.644 46.568 -5.196 1.00 0.00 N ATOM 20 CA SER A 3 -7.737 46.423 -6.150 1.00 0.00 C ATOM 21 C SER A 3 -8.792 45.455 -5.624 1.00 0.00 C ATOM 22 O SER A 3 -8.590 44.790 -4.608 1.00 0.00 O ATOM 23 CB SER A 3 -7.204 45.933 -7.497 1.00 0.00 C ATOM 24 OG SER A 3 -8.187 46.059 -8.511 1.00 0.00 O ATOM 0 H SER A 3 -6.606 45.838 -4.484 1.00 0.00 H new ATOM 0 HA SER A 3 -8.201 47.400 -6.285 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.318 46.506 -7.771 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.896 44.891 -7.412 1.00 0.00 H new ATOM 0 HG SER A 3 -7.821 45.741 -9.363 1.00 0.00 H new ATOM 30 N GLY A 4 -9.920 45.380 -6.324 1.00 0.00 N ATOM 31 CA GLY A 4 -10.991 44.491 -5.913 1.00 0.00 C ATOM 32 C GLY A 4 -12.362 45.033 -6.266 1.00 0.00 C ATOM 33 O GLY A 4 -12.913 45.863 -5.544 1.00 0.00 O ATOM 0 H GLY A 4 -10.111 45.919 -7.168 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.855 43.519 -6.388 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.933 44.331 -4.836 1.00 0.00 H new ATOM 37 N SER A 5 -12.913 44.564 -7.381 1.00 0.00 N ATOM 38 CA SER A 5 -14.225 45.010 -7.832 1.00 0.00 C ATOM 39 C SER A 5 -15.301 43.991 -7.469 1.00 0.00 C ATOM 40 O SER A 5 -15.072 42.783 -7.532 1.00 0.00 O ATOM 41 CB SER A 5 -14.217 45.244 -9.344 1.00 0.00 C ATOM 42 OG SER A 5 -13.169 46.121 -9.719 1.00 0.00 O ATOM 0 H SER A 5 -12.470 43.875 -7.989 1.00 0.00 H new ATOM 0 HA SER A 5 -14.454 45.949 -7.328 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.101 44.292 -9.862 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.174 45.662 -9.655 1.00 0.00 H new ATOM 0 HG SER A 5 -13.184 46.253 -10.690 1.00 0.00 H new ATOM 48 N SER A 6 -16.474 44.487 -7.090 1.00 0.00 N ATOM 49 CA SER A 6 -17.584 43.620 -6.713 1.00 0.00 C ATOM 50 C SER A 6 -18.522 43.393 -7.895 1.00 0.00 C ATOM 51 O SER A 6 -18.316 43.938 -8.978 1.00 0.00 O ATOM 52 CB SER A 6 -18.359 44.228 -5.542 1.00 0.00 C ATOM 53 OG SER A 6 -17.483 44.631 -4.505 1.00 0.00 O ATOM 0 H SER A 6 -16.680 45.484 -7.036 1.00 0.00 H new ATOM 0 HA SER A 6 -17.173 42.658 -6.407 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.935 45.086 -5.889 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.073 43.500 -5.157 1.00 0.00 H new ATOM 0 HG SER A 6 -18.003 45.018 -3.770 1.00 0.00 H new ATOM 59 N GLY A 7 -19.553 42.582 -7.677 1.00 0.00 N ATOM 60 CA GLY A 7 -20.507 42.296 -8.733 1.00 0.00 C ATOM 61 C GLY A 7 -21.670 41.453 -8.249 1.00 0.00 C ATOM 62 O GLY A 7 -21.529 40.611 -7.362 1.00 0.00 O ATOM 0 H GLY A 7 -19.745 42.118 -6.789 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.886 43.233 -9.140 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.000 41.777 -9.546 1.00 0.00 H new ATOM 66 N PRO A 8 -22.854 41.676 -8.840 1.00 0.00 N ATOM 67 CA PRO A 8 -24.070 40.941 -8.480 1.00 0.00 C ATOM 68 C PRO A 8 -24.016 39.481 -8.918 1.00 0.00 C ATOM 69 O PRO A 8 -23.172 39.098 -9.727 1.00 0.00 O ATOM 70 CB PRO A 8 -25.172 41.686 -9.236 1.00 0.00 C ATOM 71 CG PRO A 8 -24.477 42.320 -10.391 1.00 0.00 C ATOM 72 CD PRO A 8 -23.096 42.663 -9.905 1.00 0.00 C ATOM 0 HA PRO A 8 -24.222 40.908 -7.401 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -25.954 41.004 -9.570 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -25.651 42.433 -8.603 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -24.434 41.640 -11.242 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -25.007 43.213 -10.723 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -22.358 42.582 -10.703 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -23.045 43.684 -9.526 1.00 0.00 H new ATOM 80 N GLU A 9 -24.923 38.673 -8.378 1.00 0.00 N ATOM 81 CA GLU A 9 -24.977 37.255 -8.715 1.00 0.00 C ATOM 82 C GLU A 9 -24.899 37.050 -10.225 1.00 0.00 C ATOM 83 O GLU A 9 -25.902 37.158 -10.929 1.00 0.00 O ATOM 84 CB GLU A 9 -26.262 36.627 -8.170 1.00 0.00 C ATOM 85 CG GLU A 9 -27.528 37.304 -8.668 1.00 0.00 C ATOM 86 CD GLU A 9 -28.732 37.001 -7.797 1.00 0.00 C ATOM 87 OE1 GLU A 9 -28.547 36.788 -6.581 1.00 0.00 O ATOM 88 OE2 GLU A 9 -29.860 36.977 -8.334 1.00 0.00 O ATOM 0 H GLU A 9 -25.629 38.975 -7.707 1.00 0.00 H new ATOM 0 HA GLU A 9 -24.118 36.766 -8.255 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -26.289 35.574 -8.450 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -26.243 36.667 -7.081 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -27.370 38.382 -8.701 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -27.732 36.980 -9.689 1.00 0.00 H new ATOM 95 N SER A 10 -23.699 36.756 -10.715 1.00 0.00 N ATOM 96 CA SER A 10 -23.487 36.541 -12.142 1.00 0.00 C ATOM 97 C SER A 10 -22.479 35.421 -12.379 1.00 0.00 C ATOM 98 O SER A 10 -21.604 35.154 -11.554 1.00 0.00 O ATOM 99 CB SER A 10 -23.001 37.830 -12.807 1.00 0.00 C ATOM 100 OG SER A 10 -21.905 38.386 -12.101 1.00 0.00 O ATOM 0 H SER A 10 -22.859 36.661 -10.145 1.00 0.00 H new ATOM 0 HA SER A 10 -24.439 36.249 -12.586 1.00 0.00 H new ATOM 0 HB2 SER A 10 -22.708 37.624 -13.836 1.00 0.00 H new ATOM 0 HB3 SER A 10 -23.816 38.552 -12.847 1.00 0.00 H new ATOM 0 HG SER A 10 -22.214 38.735 -11.239 1.00 0.00 H new ATOM 106 N PRO A 11 -22.603 34.749 -13.533 1.00 0.00 N ATOM 107 CA PRO A 11 -21.711 33.647 -13.907 1.00 0.00 C ATOM 108 C PRO A 11 -20.299 34.126 -14.224 1.00 0.00 C ATOM 109 O PRO A 11 -20.027 34.604 -15.326 1.00 0.00 O ATOM 110 CB PRO A 11 -22.372 33.066 -15.159 1.00 0.00 C ATOM 111 CG PRO A 11 -23.155 34.196 -15.734 1.00 0.00 C ATOM 112 CD PRO A 11 -23.622 35.014 -14.562 1.00 0.00 C ATOM 0 HA PRO A 11 -21.591 32.927 -13.098 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -21.627 32.700 -15.866 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -23.017 32.223 -14.911 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -22.541 34.794 -16.407 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -24.001 33.829 -16.316 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -23.678 36.074 -14.809 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -24.615 34.711 -14.231 1.00 0.00 H new ATOM 120 N LEU A 12 -19.403 33.996 -13.252 1.00 0.00 N ATOM 121 CA LEU A 12 -18.017 34.415 -13.427 1.00 0.00 C ATOM 122 C LEU A 12 -17.055 33.333 -12.947 1.00 0.00 C ATOM 123 O LEU A 12 -17.470 32.349 -12.335 1.00 0.00 O ATOM 124 CB LEU A 12 -17.757 35.717 -12.668 1.00 0.00 C ATOM 125 CG LEU A 12 -18.700 36.878 -12.986 1.00 0.00 C ATOM 126 CD1 LEU A 12 -18.475 38.029 -12.017 1.00 0.00 C ATOM 127 CD2 LEU A 12 -18.510 37.343 -14.422 1.00 0.00 C ATOM 0 H LEU A 12 -19.612 33.603 -12.334 1.00 0.00 H new ATOM 0 HA LEU A 12 -17.846 34.581 -14.491 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -17.816 35.509 -11.600 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -16.736 36.037 -12.875 1.00 0.00 H new ATOM 0 HG LEU A 12 -19.726 36.528 -12.872 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -19.155 38.846 -12.259 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -18.663 37.689 -10.999 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -17.445 38.377 -12.099 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -19.190 38.170 -14.630 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -17.481 37.674 -14.564 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -18.723 36.519 -15.103 1.00 0.00 H new ATOM 139 N GLN A 13 -15.770 33.524 -13.226 1.00 0.00 N ATOM 140 CA GLN A 13 -14.750 32.564 -12.820 1.00 0.00 C ATOM 141 C GLN A 13 -14.034 33.032 -11.557 1.00 0.00 C ATOM 142 O GLN A 13 -12.828 32.836 -11.406 1.00 0.00 O ATOM 143 CB GLN A 13 -13.737 32.357 -13.948 1.00 0.00 C ATOM 144 CG GLN A 13 -14.183 31.343 -14.988 1.00 0.00 C ATOM 145 CD GLN A 13 -14.446 29.974 -14.392 1.00 0.00 C ATOM 146 OE1 GLN A 13 -13.518 29.205 -14.141 1.00 0.00 O ATOM 147 NE2 GLN A 13 -15.716 29.661 -14.163 1.00 0.00 N ATOM 0 H GLN A 13 -15.410 34.334 -13.731 1.00 0.00 H new ATOM 0 HA GLN A 13 -15.244 31.616 -12.606 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -13.553 33.312 -14.440 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.789 32.032 -13.519 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -15.089 31.703 -15.476 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -13.418 31.258 -15.759 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -16.454 30.329 -14.386 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -15.953 28.753 -13.764 1.00 0.00 H new ATOM 156 N PHE A 14 -14.785 33.651 -10.652 1.00 0.00 N ATOM 157 CA PHE A 14 -14.222 34.147 -9.402 1.00 0.00 C ATOM 158 C PHE A 14 -13.782 32.993 -8.507 1.00 0.00 C ATOM 159 O PHE A 14 -14.267 31.869 -8.641 1.00 0.00 O ATOM 160 CB PHE A 14 -15.246 35.015 -8.667 1.00 0.00 C ATOM 161 CG PHE A 14 -14.659 35.797 -7.526 1.00 0.00 C ATOM 162 CD1 PHE A 14 -13.638 36.706 -7.744 1.00 0.00 C ATOM 163 CD2 PHE A 14 -15.130 35.620 -6.234 1.00 0.00 C ATOM 164 CE1 PHE A 14 -13.096 37.427 -6.696 1.00 0.00 C ATOM 165 CE2 PHE A 14 -14.593 36.338 -5.183 1.00 0.00 C ATOM 166 CZ PHE A 14 -13.574 37.242 -5.414 1.00 0.00 C ATOM 0 H PHE A 14 -15.785 33.821 -10.761 1.00 0.00 H new ATOM 0 HA PHE A 14 -13.347 34.751 -9.641 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -15.700 35.707 -9.376 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -16.045 34.378 -8.288 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -13.260 36.854 -8.745 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -15.925 34.913 -6.047 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.300 38.134 -6.880 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -14.970 36.193 -4.181 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.152 37.803 -4.593 1.00 0.00 H new ATOM 176 N TYR A 15 -12.859 33.278 -7.596 1.00 0.00 N ATOM 177 CA TYR A 15 -12.349 32.264 -6.680 1.00 0.00 C ATOM 178 C TYR A 15 -13.324 32.029 -5.530 1.00 0.00 C ATOM 179 O TYR A 15 -13.813 32.975 -4.913 1.00 0.00 O ATOM 180 CB TYR A 15 -10.985 32.683 -6.130 1.00 0.00 C ATOM 181 CG TYR A 15 -9.836 32.380 -7.064 1.00 0.00 C ATOM 182 CD1 TYR A 15 -9.618 33.148 -8.201 1.00 0.00 C ATOM 183 CD2 TYR A 15 -8.967 31.326 -6.809 1.00 0.00 C ATOM 184 CE1 TYR A 15 -8.569 32.874 -9.058 1.00 0.00 C ATOM 185 CE2 TYR A 15 -7.915 31.045 -7.660 1.00 0.00 C ATOM 186 CZ TYR A 15 -7.721 31.822 -8.783 1.00 0.00 C ATOM 187 OH TYR A 15 -6.674 31.547 -9.633 1.00 0.00 O ATOM 0 H TYR A 15 -12.448 34.203 -7.472 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.238 31.332 -7.235 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.000 33.753 -5.921 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -10.814 32.175 -5.181 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -10.280 33.973 -8.419 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -9.116 30.716 -5.930 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.414 33.480 -9.938 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -7.249 30.222 -7.447 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.172 30.776 -9.295 1.00 0.00 H new ATOM 197 N VAL A 16 -13.601 30.760 -5.248 1.00 0.00 N ATOM 198 CA VAL A 16 -14.516 30.398 -4.172 1.00 0.00 C ATOM 199 C VAL A 16 -13.771 29.744 -3.014 1.00 0.00 C ATOM 200 O VAL A 16 -13.143 28.698 -3.179 1.00 0.00 O ATOM 201 CB VAL A 16 -15.615 29.440 -4.668 1.00 0.00 C ATOM 202 CG1 VAL A 16 -16.439 30.095 -5.767 1.00 0.00 C ATOM 203 CG2 VAL A 16 -15.004 28.135 -5.154 1.00 0.00 C ATOM 0 H VAL A 16 -13.205 29.965 -5.750 1.00 0.00 H new ATOM 0 HA VAL A 16 -14.979 31.322 -3.826 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.280 29.215 -3.834 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -17.210 29.403 -6.105 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -16.907 31.000 -5.380 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -15.790 30.352 -6.604 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -15.795 27.470 -5.501 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.316 28.339 -5.974 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -14.463 27.660 -4.336 1.00 0.00 H new ATOM 213 N ASN A 17 -13.845 30.366 -1.842 1.00 0.00 N ATOM 214 CA ASN A 17 -13.177 29.844 -0.656 1.00 0.00 C ATOM 215 C ASN A 17 -14.033 28.782 0.028 1.00 0.00 C ATOM 216 O ASN A 17 -15.238 28.962 0.205 1.00 0.00 O ATOM 217 CB ASN A 17 -12.873 30.979 0.325 1.00 0.00 C ATOM 218 CG ASN A 17 -11.561 31.674 0.016 1.00 0.00 C ATOM 219 OD1 ASN A 17 -11.455 32.421 -0.957 1.00 0.00 O ATOM 220 ND2 ASN A 17 -10.553 31.430 0.845 1.00 0.00 N ATOM 0 H ASN A 17 -14.361 31.232 -1.688 1.00 0.00 H new ATOM 0 HA ASN A 17 -12.241 29.383 -0.971 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -13.683 31.708 0.295 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -12.840 30.580 1.339 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.646 31.869 0.688 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.686 30.804 1.639 1.00 0.00 H new ATOM 227 N TYR A 18 -13.403 27.677 0.409 1.00 0.00 N ATOM 228 CA TYR A 18 -14.106 26.586 1.071 1.00 0.00 C ATOM 229 C TYR A 18 -13.165 25.805 1.983 1.00 0.00 C ATOM 230 O TYR A 18 -11.950 25.777 1.787 1.00 0.00 O ATOM 231 CB TYR A 18 -14.726 25.647 0.035 1.00 0.00 C ATOM 232 CG TYR A 18 -13.821 25.364 -1.143 1.00 0.00 C ATOM 233 CD1 TYR A 18 -12.894 24.330 -1.101 1.00 0.00 C ATOM 234 CD2 TYR A 18 -13.894 26.131 -2.300 1.00 0.00 C ATOM 235 CE1 TYR A 18 -12.065 24.069 -2.174 1.00 0.00 C ATOM 236 CE2 TYR A 18 -13.069 25.876 -3.379 1.00 0.00 C ATOM 237 CZ TYR A 18 -12.157 24.845 -3.311 1.00 0.00 C ATOM 238 OH TYR A 18 -11.333 24.587 -4.383 1.00 0.00 O ATOM 0 H TYR A 18 -12.406 27.513 0.270 1.00 0.00 H new ATOM 0 HA TYR A 18 -14.899 27.017 1.681 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -14.984 24.705 0.519 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -15.656 26.084 -0.329 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -12.820 23.719 -0.213 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -14.607 26.940 -2.357 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -11.349 23.262 -2.123 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -13.139 26.481 -4.271 1.00 0.00 H new ATOM 0 HH TYR A 18 -11.525 25.223 -5.104 1.00 0.00 H new ATOM 248 N PRO A 19 -13.739 25.153 3.006 1.00 0.00 N ATOM 249 CA PRO A 19 -12.971 24.358 3.969 1.00 0.00 C ATOM 250 C PRO A 19 -12.404 23.086 3.349 1.00 0.00 C ATOM 251 O PRO A 19 -12.911 22.597 2.340 1.00 0.00 O ATOM 252 CB PRO A 19 -14.002 24.014 5.047 1.00 0.00 C ATOM 253 CG PRO A 19 -15.316 24.070 4.346 1.00 0.00 C ATOM 254 CD PRO A 19 -15.182 25.143 3.300 1.00 0.00 C ATOM 0 HA PRO A 19 -12.104 24.901 4.346 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.820 23.025 5.468 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.963 24.724 5.873 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.557 23.109 3.891 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.121 24.303 5.043 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.772 24.915 2.412 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.524 26.110 3.670 1.00 0.00 H new ATOM 262 N ASN A 20 -11.350 22.554 3.959 1.00 0.00 N ATOM 263 CA ASN A 20 -10.714 21.338 3.466 1.00 0.00 C ATOM 264 C ASN A 20 -9.882 20.677 4.561 1.00 0.00 C ATOM 265 O ASN A 20 -9.764 21.203 5.667 1.00 0.00 O ATOM 266 CB ASN A 20 -9.829 21.654 2.258 1.00 0.00 C ATOM 267 CG ASN A 20 -9.109 22.981 2.400 1.00 0.00 C ATOM 268 OD1 ASN A 20 -9.704 24.045 2.223 1.00 0.00 O ATOM 269 ND2 ASN A 20 -7.822 22.924 2.721 1.00 0.00 N ATOM 0 H ASN A 20 -10.918 22.946 4.796 1.00 0.00 H new ATOM 0 HA ASN A 20 -11.498 20.645 3.162 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -9.096 20.858 2.130 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -10.442 21.671 1.357 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.285 23.784 2.831 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.370 22.020 2.858 1.00 0.00 H new ATOM 276 N SER A 21 -9.308 19.521 4.243 1.00 0.00 N ATOM 277 CA SER A 21 -8.490 18.786 5.201 1.00 0.00 C ATOM 278 C SER A 21 -7.227 18.247 4.535 1.00 0.00 C ATOM 279 O SER A 21 -7.296 17.505 3.556 1.00 0.00 O ATOM 280 CB SER A 21 -9.291 17.633 5.809 1.00 0.00 C ATOM 281 OG SER A 21 -8.823 17.317 7.108 1.00 0.00 O ATOM 0 H SER A 21 -9.394 19.074 3.330 1.00 0.00 H new ATOM 0 HA SER A 21 -8.197 19.473 5.995 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.346 17.903 5.855 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.214 16.755 5.168 1.00 0.00 H new ATOM 0 HG SER A 21 -9.352 16.578 7.476 1.00 0.00 H new ATOM 287 N GLY A 22 -6.073 18.628 5.074 1.00 0.00 N ATOM 288 CA GLY A 22 -4.810 18.174 4.521 1.00 0.00 C ATOM 289 C GLY A 22 -4.226 17.006 5.290 1.00 0.00 C ATOM 290 O GLY A 22 -3.353 17.187 6.139 1.00 0.00 O ATOM 0 H GLY A 22 -5.990 19.243 5.884 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.956 17.883 3.481 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.098 18.999 4.524 1.00 0.00 H new ATOM 294 N SER A 23 -4.709 15.804 4.994 1.00 0.00 N ATOM 295 CA SER A 23 -4.233 14.601 5.668 1.00 0.00 C ATOM 296 C SER A 23 -4.075 13.451 4.679 1.00 0.00 C ATOM 297 O SER A 23 -4.490 13.548 3.524 1.00 0.00 O ATOM 298 CB SER A 23 -5.200 14.200 6.784 1.00 0.00 C ATOM 299 OG SER A 23 -6.516 14.039 6.285 1.00 0.00 O ATOM 0 H SER A 23 -5.430 15.637 4.292 1.00 0.00 H new ATOM 0 HA SER A 23 -3.258 14.820 6.103 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.865 13.270 7.243 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.194 14.960 7.565 1.00 0.00 H new ATOM 0 HG SER A 23 -7.114 13.781 7.017 1.00 0.00 H new ATOM 305 N VAL A 24 -3.470 12.361 5.141 1.00 0.00 N ATOM 306 CA VAL A 24 -3.257 11.190 4.298 1.00 0.00 C ATOM 307 C VAL A 24 -3.947 9.961 4.880 1.00 0.00 C ATOM 308 O VAL A 24 -3.748 9.618 6.045 1.00 0.00 O ATOM 309 CB VAL A 24 -1.756 10.888 4.126 1.00 0.00 C ATOM 310 CG1 VAL A 24 -1.554 9.679 3.227 1.00 0.00 C ATOM 311 CG2 VAL A 24 -1.030 12.104 3.570 1.00 0.00 C ATOM 0 H VAL A 24 -3.119 12.264 6.094 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.689 11.419 3.324 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.335 10.657 5.104 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.488 9.481 3.117 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.040 8.810 3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.989 9.877 2.247 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.029 11.874 3.455 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.452 12.368 2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.146 12.943 4.256 1.00 0.00 H new ATOM 321 N SER A 25 -4.760 9.302 4.060 1.00 0.00 N ATOM 322 CA SER A 25 -5.483 8.113 4.494 1.00 0.00 C ATOM 323 C SER A 25 -5.369 6.999 3.457 1.00 0.00 C ATOM 324 O SER A 25 -5.295 7.259 2.257 1.00 0.00 O ATOM 325 CB SER A 25 -6.956 8.447 4.739 1.00 0.00 C ATOM 326 OG SER A 25 -7.150 8.967 6.043 1.00 0.00 O ATOM 0 H SER A 25 -4.934 9.572 3.092 1.00 0.00 H new ATOM 0 HA SER A 25 -5.036 7.766 5.426 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.295 9.173 4.000 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.562 7.551 4.607 1.00 0.00 H new ATOM 0 HG SER A 25 -8.099 9.174 6.175 1.00 0.00 H new ATOM 332 N ALA A 26 -5.355 5.758 3.931 1.00 0.00 N ATOM 333 CA ALA A 26 -5.252 4.604 3.046 1.00 0.00 C ATOM 334 C ALA A 26 -6.574 3.848 2.974 1.00 0.00 C ATOM 335 O ALA A 26 -7.152 3.488 3.999 1.00 0.00 O ATOM 336 CB ALA A 26 -4.138 3.679 3.514 1.00 0.00 C ATOM 0 H ALA A 26 -5.414 5.526 4.922 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.015 4.964 2.045 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.072 2.821 2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.191 4.218 3.508 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.352 3.334 4.525 1.00 0.00 H new ATOM 342 N TYR A 27 -7.048 3.611 1.756 1.00 0.00 N ATOM 343 CA TYR A 27 -8.304 2.900 1.549 1.00 0.00 C ATOM 344 C TYR A 27 -8.252 2.059 0.278 1.00 0.00 C ATOM 345 O TYR A 27 -7.481 2.344 -0.638 1.00 0.00 O ATOM 346 CB TYR A 27 -9.468 3.890 1.471 1.00 0.00 C ATOM 347 CG TYR A 27 -9.650 4.505 0.102 1.00 0.00 C ATOM 348 CD1 TYR A 27 -8.803 5.511 -0.347 1.00 0.00 C ATOM 349 CD2 TYR A 27 -10.668 4.080 -0.742 1.00 0.00 C ATOM 350 CE1 TYR A 27 -8.966 6.076 -1.598 1.00 0.00 C ATOM 351 CE2 TYR A 27 -10.837 4.638 -1.995 1.00 0.00 C ATOM 352 CZ TYR A 27 -9.984 5.636 -2.418 1.00 0.00 C ATOM 353 OH TYR A 27 -10.150 6.195 -3.664 1.00 0.00 O ATOM 0 H TYR A 27 -6.581 3.901 0.897 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.458 2.233 2.398 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.388 3.379 1.756 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.307 4.685 2.199 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.004 5.857 0.292 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.339 3.300 -0.413 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.300 6.858 -1.932 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.633 4.295 -2.639 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.911 5.772 -4.114 1.00 0.00 H new ATOM 363 N GLY A 28 -9.079 1.019 0.229 1.00 0.00 N ATOM 364 CA GLY A 28 -9.113 0.152 -0.934 1.00 0.00 C ATOM 365 C GLY A 28 -9.547 -1.260 -0.592 1.00 0.00 C ATOM 366 O GLY A 28 -9.493 -1.686 0.562 1.00 0.00 O ATOM 0 H GLY A 28 -9.726 0.762 0.974 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.795 0.569 -1.675 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -8.124 0.124 -1.392 1.00 0.00 H new ATOM 370 N PRO A 29 -9.991 -2.010 -1.611 1.00 0.00 N ATOM 371 CA PRO A 29 -10.446 -3.393 -1.437 1.00 0.00 C ATOM 372 C PRO A 29 -9.300 -4.343 -1.109 1.00 0.00 C ATOM 373 O PRO A 29 -9.510 -5.539 -0.910 1.00 0.00 O ATOM 374 CB PRO A 29 -11.055 -3.740 -2.798 1.00 0.00 C ATOM 375 CG PRO A 29 -10.365 -2.838 -3.763 1.00 0.00 C ATOM 376 CD PRO A 29 -10.083 -1.566 -3.012 1.00 0.00 C ATOM 0 HA PRO A 29 -11.143 -3.491 -0.605 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -10.891 -4.788 -3.049 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.132 -3.575 -2.803 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.442 -3.289 -4.127 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -10.991 -2.646 -4.634 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -9.157 -1.099 -3.347 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.878 -0.833 -3.150 1.00 0.00 H new ATOM 384 N GLY A 30 -8.086 -3.802 -1.052 1.00 0.00 N ATOM 385 CA GLY A 30 -6.925 -4.617 -0.747 1.00 0.00 C ATOM 386 C GLY A 30 -6.437 -4.422 0.675 1.00 0.00 C ATOM 387 O GLY A 30 -5.615 -5.194 1.169 1.00 0.00 O ATOM 0 H GLY A 30 -7.887 -2.814 -1.212 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.171 -5.667 -0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.121 -4.372 -1.441 1.00 0.00 H new ATOM 391 N LEU A 31 -6.942 -3.385 1.334 1.00 0.00 N ATOM 392 CA LEU A 31 -6.551 -3.089 2.708 1.00 0.00 C ATOM 393 C LEU A 31 -7.528 -3.714 3.699 1.00 0.00 C ATOM 394 O LEU A 31 -7.124 -4.239 4.737 1.00 0.00 O ATOM 395 CB LEU A 31 -6.485 -1.576 2.925 1.00 0.00 C ATOM 396 CG LEU A 31 -5.501 -0.813 2.039 1.00 0.00 C ATOM 397 CD1 LEU A 31 -5.670 0.687 2.222 1.00 0.00 C ATOM 398 CD2 LEU A 31 -4.071 -1.232 2.346 1.00 0.00 C ATOM 0 H LEU A 31 -7.622 -2.736 0.940 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.564 -3.518 2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.481 -1.163 2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.225 -1.390 3.967 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.714 -1.057 0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.961 1.214 1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.686 0.974 1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.484 0.950 3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.384 -0.678 1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.845 -1.018 3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.957 -2.300 2.162 1.00 0.00 H new ATOM 410 N VAL A 32 -8.814 -3.656 3.371 1.00 0.00 N ATOM 411 CA VAL A 32 -9.849 -4.220 4.230 1.00 0.00 C ATOM 412 C VAL A 32 -9.804 -5.744 4.216 1.00 0.00 C ATOM 413 O VAL A 32 -9.887 -6.387 5.263 1.00 0.00 O ATOM 414 CB VAL A 32 -11.252 -3.754 3.798 1.00 0.00 C ATOM 415 CG1 VAL A 32 -12.323 -4.454 4.621 1.00 0.00 C ATOM 416 CG2 VAL A 32 -11.373 -2.243 3.924 1.00 0.00 C ATOM 0 H VAL A 32 -9.165 -3.224 2.516 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.651 -3.863 5.241 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.399 -4.021 2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -13.308 -4.113 4.302 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.248 -5.532 4.475 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -12.182 -4.220 5.676 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -12.370 -1.931 3.615 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.206 -1.950 4.960 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.629 -1.764 3.287 1.00 0.00 H new ATOM 426 N TYR A 33 -9.673 -6.315 3.024 1.00 0.00 N ATOM 427 CA TYR A 33 -9.619 -7.765 2.874 1.00 0.00 C ATOM 428 C TYR A 33 -9.051 -8.150 1.511 1.00 0.00 C ATOM 429 O TYR A 33 -8.819 -7.295 0.658 1.00 0.00 O ATOM 430 CB TYR A 33 -11.014 -8.368 3.046 1.00 0.00 C ATOM 431 CG TYR A 33 -12.071 -7.705 2.193 1.00 0.00 C ATOM 432 CD1 TYR A 33 -12.012 -7.768 0.806 1.00 0.00 C ATOM 433 CD2 TYR A 33 -13.128 -7.014 2.772 1.00 0.00 C ATOM 434 CE1 TYR A 33 -12.975 -7.163 0.022 1.00 0.00 C ATOM 435 CE2 TYR A 33 -14.096 -6.407 1.996 1.00 0.00 C ATOM 436 CZ TYR A 33 -14.015 -6.484 0.621 1.00 0.00 C ATOM 437 OH TYR A 33 -14.977 -5.880 -0.155 1.00 0.00 O ATOM 0 H TYR A 33 -9.602 -5.797 2.148 1.00 0.00 H new ATOM 0 HA TYR A 33 -8.961 -8.161 3.647 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -10.974 -9.429 2.800 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -11.306 -8.294 4.094 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -11.199 -8.299 0.333 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -13.194 -6.950 3.848 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.914 -7.221 -1.055 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -14.912 -5.875 2.463 1.00 0.00 H new ATOM 0 HH TYR A 33 -15.639 -5.446 0.423 1.00 0.00 H new ATOM 447 N GLY A 34 -8.831 -9.447 1.314 1.00 0.00 N ATOM 448 CA GLY A 34 -8.293 -9.924 0.054 1.00 0.00 C ATOM 449 C GLY A 34 -8.421 -11.427 -0.099 1.00 0.00 C ATOM 450 O GLY A 34 -9.284 -12.050 0.520 1.00 0.00 O ATOM 0 H GLY A 34 -9.016 -10.175 2.004 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.812 -9.433 -0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.242 -9.643 -0.019 1.00 0.00 H new ATOM 454 N VAL A 35 -7.560 -12.012 -0.926 1.00 0.00 N ATOM 455 CA VAL A 35 -7.581 -13.451 -1.159 1.00 0.00 C ATOM 456 C VAL A 35 -6.174 -13.990 -1.390 1.00 0.00 C ATOM 457 O VAL A 35 -5.337 -13.328 -2.003 1.00 0.00 O ATOM 458 CB VAL A 35 -8.462 -13.811 -2.370 1.00 0.00 C ATOM 459 CG1 VAL A 35 -8.255 -15.265 -2.767 1.00 0.00 C ATOM 460 CG2 VAL A 35 -9.927 -13.537 -2.063 1.00 0.00 C ATOM 0 H VAL A 35 -6.839 -11.511 -1.446 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.001 -13.911 -0.264 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.167 -13.184 -3.211 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.885 -15.501 -3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.209 -15.425 -3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.522 -15.912 -1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.535 -13.797 -2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.238 -14.137 -1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.059 -12.480 -1.831 1.00 0.00 H new ATOM 470 N ALA A 36 -5.920 -15.198 -0.895 1.00 0.00 N ATOM 471 CA ALA A 36 -4.615 -15.828 -1.050 1.00 0.00 C ATOM 472 C ALA A 36 -4.309 -16.103 -2.518 1.00 0.00 C ATOM 473 O ALA A 36 -5.185 -16.511 -3.279 1.00 0.00 O ATOM 474 CB ALA A 36 -4.554 -17.118 -0.245 1.00 0.00 C ATOM 0 H ALA A 36 -6.601 -15.759 -0.384 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.859 -15.140 -0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.574 -17.579 -0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.720 -16.897 0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.325 -17.804 -0.598 1.00 0.00 H new ATOM 480 N ASN A 37 -3.059 -15.876 -2.909 1.00 0.00 N ATOM 481 CA ASN A 37 -2.638 -16.098 -4.288 1.00 0.00 C ATOM 482 C ASN A 37 -3.582 -15.403 -5.264 1.00 0.00 C ATOM 483 O ASN A 37 -4.070 -16.015 -6.215 1.00 0.00 O ATOM 484 CB ASN A 37 -2.584 -17.597 -4.591 1.00 0.00 C ATOM 485 CG ASN A 37 -1.326 -18.251 -4.054 1.00 0.00 C ATOM 486 OD1 ASN A 37 -0.940 -17.882 -2.838 1.00 0.00 O flip ATOM 487 ND2 ASN A 37 -0.708 -19.078 -4.725 1.00 0.00 N flip ATOM 0 H ASN A 37 -2.321 -15.539 -2.291 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.642 -15.673 -4.411 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.457 -18.084 -4.157 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.637 -17.749 -5.669 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.041 -19.332 -5.655 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.137 -19.509 -4.351 1.00 0.00 H new ATOM 494 N LYS A 38 -3.835 -14.121 -5.023 1.00 0.00 N ATOM 495 CA LYS A 38 -4.719 -13.341 -5.881 1.00 0.00 C ATOM 496 C LYS A 38 -4.243 -11.896 -5.982 1.00 0.00 C ATOM 497 O LYS A 38 -3.250 -11.513 -5.362 1.00 0.00 O ATOM 498 CB LYS A 38 -6.151 -13.381 -5.343 1.00 0.00 C ATOM 499 CG LYS A 38 -6.968 -14.546 -5.874 1.00 0.00 C ATOM 500 CD LYS A 38 -7.261 -14.392 -7.357 1.00 0.00 C ATOM 501 CE LYS A 38 -8.574 -15.058 -7.738 1.00 0.00 C ATOM 502 NZ LYS A 38 -8.773 -15.087 -9.214 1.00 0.00 N ATOM 0 H LYS A 38 -3.440 -13.600 -4.240 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.699 -13.782 -6.878 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.120 -13.436 -4.255 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.653 -12.449 -5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.428 -15.478 -5.704 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.906 -14.615 -5.322 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.301 -13.333 -7.613 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.448 -14.829 -7.937 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.591 -16.076 -7.349 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.401 -14.524 -7.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.679 -15.549 -9.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.782 -14.114 -9.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.997 -15.618 -9.659 1.00 0.00 H new ATOM 516 N THR A 39 -4.957 -11.095 -6.767 1.00 0.00 N ATOM 517 CA THR A 39 -4.608 -9.692 -6.948 1.00 0.00 C ATOM 518 C THR A 39 -5.374 -8.804 -5.975 1.00 0.00 C ATOM 519 O THR A 39 -6.587 -8.939 -5.819 1.00 0.00 O ATOM 520 CB THR A 39 -4.895 -9.223 -8.387 1.00 0.00 C ATOM 521 OG1 THR A 39 -6.248 -9.531 -8.742 1.00 0.00 O ATOM 522 CG2 THR A 39 -3.944 -9.887 -9.372 1.00 0.00 C ATOM 0 H THR A 39 -5.781 -11.395 -7.288 1.00 0.00 H new ATOM 0 HA THR A 39 -3.540 -9.605 -6.751 1.00 0.00 H new ATOM 0 HB THR A 39 -4.745 -8.144 -8.431 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.423 -9.228 -9.657 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.166 -9.541 -10.381 1.00 0.00 H new ATOM 0 HG22 THR A 39 -2.916 -9.628 -9.117 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.068 -10.969 -9.324 1.00 0.00 H new ATOM 530 N ALA A 40 -4.658 -7.895 -5.321 1.00 0.00 N ATOM 531 CA ALA A 40 -5.271 -6.982 -4.364 1.00 0.00 C ATOM 532 C ALA A 40 -4.568 -5.629 -4.368 1.00 0.00 C ATOM 533 O ALA A 40 -3.453 -5.495 -3.862 1.00 0.00 O ATOM 534 CB ALA A 40 -5.248 -7.588 -2.969 1.00 0.00 C ATOM 0 H ALA A 40 -3.652 -7.771 -5.437 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.307 -6.823 -4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.709 -6.896 -2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.802 -8.527 -2.971 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.217 -7.776 -2.671 1.00 0.00 H new ATOM 540 N THR A 41 -5.226 -4.627 -4.942 1.00 0.00 N ATOM 541 CA THR A 41 -4.664 -3.284 -5.012 1.00 0.00 C ATOM 542 C THR A 41 -5.543 -2.280 -4.276 1.00 0.00 C ATOM 543 O THR A 41 -6.768 -2.398 -4.273 1.00 0.00 O ATOM 544 CB THR A 41 -4.490 -2.824 -6.472 1.00 0.00 C ATOM 545 OG1 THR A 41 -3.670 -3.756 -7.186 1.00 0.00 O ATOM 546 CG2 THR A 41 -3.863 -1.440 -6.532 1.00 0.00 C ATOM 0 H THR A 41 -6.149 -4.720 -5.365 1.00 0.00 H new ATOM 0 HA THR A 41 -3.686 -3.325 -4.532 1.00 0.00 H new ATOM 0 HB THR A 41 -5.476 -2.780 -6.935 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.883 -3.293 -7.542 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.750 -1.137 -7.573 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.504 -0.727 -6.014 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.884 -1.463 -6.052 1.00 0.00 H new ATOM 554 N PHE A 42 -4.910 -1.292 -3.652 1.00 0.00 N ATOM 555 CA PHE A 42 -5.635 -0.266 -2.912 1.00 0.00 C ATOM 556 C PHE A 42 -5.211 1.130 -3.358 1.00 0.00 C ATOM 557 O PHE A 42 -4.168 1.302 -3.991 1.00 0.00 O ATOM 558 CB PHE A 42 -5.397 -0.428 -1.409 1.00 0.00 C ATOM 559 CG PHE A 42 -3.944 -0.429 -1.029 1.00 0.00 C ATOM 560 CD1 PHE A 42 -3.144 -1.527 -1.302 1.00 0.00 C ATOM 561 CD2 PHE A 42 -3.379 0.668 -0.399 1.00 0.00 C ATOM 562 CE1 PHE A 42 -1.807 -1.531 -0.952 1.00 0.00 C ATOM 563 CE2 PHE A 42 -2.042 0.670 -0.048 1.00 0.00 C ATOM 564 CZ PHE A 42 -1.255 -0.431 -0.326 1.00 0.00 C ATOM 0 H PHE A 42 -3.896 -1.180 -3.644 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.698 -0.387 -3.120 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.902 0.380 -0.880 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.852 -1.361 -1.076 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.570 -2.389 -1.794 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.990 1.531 -0.180 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -1.194 -2.394 -1.168 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.613 1.531 0.443 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.210 -0.431 -0.054 1.00 0.00 H new ATOM 574 N THR A 43 -6.027 2.125 -3.024 1.00 0.00 N ATOM 575 CA THR A 43 -5.738 3.505 -3.391 1.00 0.00 C ATOM 576 C THR A 43 -5.327 4.324 -2.172 1.00 0.00 C ATOM 577 O THR A 43 -5.914 4.191 -1.098 1.00 0.00 O ATOM 578 CB THR A 43 -6.954 4.175 -4.059 1.00 0.00 C ATOM 579 OG1 THR A 43 -7.517 3.299 -5.042 1.00 0.00 O ATOM 580 CG2 THR A 43 -6.556 5.490 -4.712 1.00 0.00 C ATOM 0 H THR A 43 -6.893 2.000 -2.500 1.00 0.00 H new ATOM 0 HA THR A 43 -4.912 3.477 -4.102 1.00 0.00 H new ATOM 0 HB THR A 43 -7.697 4.381 -3.288 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.290 3.731 -5.461 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.431 5.945 -5.177 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.155 6.165 -3.956 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.797 5.304 -5.472 1.00 0.00 H new ATOM 588 N ILE A 44 -4.317 5.169 -2.346 1.00 0.00 N ATOM 589 CA ILE A 44 -3.830 6.010 -1.260 1.00 0.00 C ATOM 590 C ILE A 44 -4.059 7.487 -1.563 1.00 0.00 C ATOM 591 O ILE A 44 -3.630 7.993 -2.600 1.00 0.00 O ATOM 592 CB ILE A 44 -2.330 5.778 -0.998 1.00 0.00 C ATOM 593 CG1 ILE A 44 -2.064 4.301 -0.702 1.00 0.00 C ATOM 594 CG2 ILE A 44 -1.853 6.649 0.155 1.00 0.00 C ATOM 595 CD1 ILE A 44 -0.678 3.845 -1.100 1.00 0.00 C ATOM 0 H ILE A 44 -3.820 5.289 -3.229 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.394 5.733 -0.369 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.773 6.056 -1.893 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.205 4.121 0.364 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.802 3.695 -1.227 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.791 6.474 0.328 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.012 7.699 -0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.414 6.399 1.056 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.560 2.788 -0.861 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.540 3.992 -2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.066 4.425 -0.555 1.00 0.00 H new ATOM 607 N VAL A 45 -4.736 8.175 -0.650 1.00 0.00 N ATOM 608 CA VAL A 45 -5.020 9.595 -0.817 1.00 0.00 C ATOM 609 C VAL A 45 -3.913 10.452 -0.214 1.00 0.00 C ATOM 610 O VAL A 45 -3.821 10.602 1.005 1.00 0.00 O ATOM 611 CB VAL A 45 -6.363 9.980 -0.167 1.00 0.00 C ATOM 612 CG1 VAL A 45 -6.605 11.477 -0.288 1.00 0.00 C ATOM 613 CG2 VAL A 45 -7.503 9.194 -0.797 1.00 0.00 C ATOM 0 H VAL A 45 -5.098 7.772 0.214 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.077 9.781 -1.889 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.320 9.728 0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.558 11.730 0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.802 12.017 0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.629 11.758 -1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.444 9.478 -0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.550 9.413 -1.864 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.333 8.127 -0.653 1.00 0.00 H new ATOM 623 N THR A 46 -3.071 11.014 -1.076 1.00 0.00 N ATOM 624 CA THR A 46 -1.968 11.855 -0.630 1.00 0.00 C ATOM 625 C THR A 46 -2.261 13.329 -0.889 1.00 0.00 C ATOM 626 O THR A 46 -1.755 13.912 -1.847 1.00 0.00 O ATOM 627 CB THR A 46 -0.651 11.474 -1.331 1.00 0.00 C ATOM 628 OG1 THR A 46 -0.864 11.355 -2.742 1.00 0.00 O ATOM 629 CG2 THR A 46 -0.105 10.165 -0.783 1.00 0.00 C ATOM 0 H THR A 46 -3.133 10.901 -2.088 1.00 0.00 H new ATOM 0 HA THR A 46 -1.860 11.692 0.442 1.00 0.00 H new ATOM 0 HB THR A 46 0.078 12.261 -1.139 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.255 12.185 -3.085 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.825 9.917 -1.294 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.084 10.268 0.286 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.832 9.370 -0.948 1.00 0.00 H new ATOM 637 N GLU A 47 -3.080 13.925 -0.028 1.00 0.00 N ATOM 638 CA GLU A 47 -3.439 15.332 -0.165 1.00 0.00 C ATOM 639 C GLU A 47 -2.191 16.207 -0.246 1.00 0.00 C ATOM 640 O GLU A 47 -1.528 16.454 0.761 1.00 0.00 O ATOM 641 CB GLU A 47 -4.311 15.775 1.011 1.00 0.00 C ATOM 642 CG GLU A 47 -5.627 15.022 1.111 1.00 0.00 C ATOM 643 CD GLU A 47 -6.606 15.410 0.020 1.00 0.00 C ATOM 644 OE1 GLU A 47 -6.640 16.602 -0.350 1.00 0.00 O ATOM 645 OE2 GLU A 47 -7.338 14.521 -0.462 1.00 0.00 O ATOM 0 H GLU A 47 -3.507 13.456 0.771 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.003 15.448 -1.090 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.753 15.639 1.937 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.518 16.841 0.917 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.433 13.951 1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.078 15.215 2.084 1.00 0.00 H new ATOM 652 N ASP A 48 -1.878 16.671 -1.450 1.00 0.00 N ATOM 653 CA ASP A 48 -0.711 17.519 -1.663 1.00 0.00 C ATOM 654 C ASP A 48 0.454 17.070 -0.787 1.00 0.00 C ATOM 655 O ASP A 48 1.209 17.894 -0.272 1.00 0.00 O ATOM 656 CB ASP A 48 -1.055 18.980 -1.368 1.00 0.00 C ATOM 657 CG ASP A 48 -2.120 19.523 -2.300 1.00 0.00 C ATOM 658 OD1 ASP A 48 -2.202 19.045 -3.450 1.00 0.00 O ATOM 659 OD2 ASP A 48 -2.872 20.427 -1.878 1.00 0.00 O ATOM 0 H ASP A 48 -2.416 16.474 -2.294 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.412 17.428 -2.707 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.399 19.068 -0.337 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.154 19.587 -1.457 1.00 0.00 H new ATOM 664 N ALA A 49 0.592 15.759 -0.621 1.00 0.00 N ATOM 665 CA ALA A 49 1.665 15.201 0.193 1.00 0.00 C ATOM 666 C ALA A 49 2.860 14.807 -0.670 1.00 0.00 C ATOM 667 O ALA A 49 4.010 14.988 -0.273 1.00 0.00 O ATOM 668 CB ALA A 49 1.161 14.000 0.980 1.00 0.00 C ATOM 0 H ALA A 49 -0.026 15.063 -1.039 1.00 0.00 H new ATOM 0 HA ALA A 49 1.993 15.969 0.894 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.973 13.594 1.583 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.344 14.309 1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.805 13.236 0.289 1.00 0.00 H new ATOM 674 N GLY A 50 2.578 14.266 -1.851 1.00 0.00 N ATOM 675 CA GLY A 50 3.640 13.854 -2.750 1.00 0.00 C ATOM 676 C GLY A 50 4.487 12.736 -2.174 1.00 0.00 C ATOM 677 O GLY A 50 4.004 11.622 -1.978 1.00 0.00 O ATOM 0 H GLY A 50 1.634 14.106 -2.201 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.206 13.527 -3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.277 14.710 -2.972 1.00 0.00 H new ATOM 681 N GLU A 51 5.754 13.034 -1.904 1.00 0.00 N ATOM 682 CA GLU A 51 6.669 12.044 -1.349 1.00 0.00 C ATOM 683 C GLU A 51 7.785 12.718 -0.556 1.00 0.00 C ATOM 684 O GLU A 51 8.516 13.557 -1.082 1.00 0.00 O ATOM 685 CB GLU A 51 7.269 11.189 -2.468 1.00 0.00 C ATOM 686 CG GLU A 51 8.374 11.887 -3.242 1.00 0.00 C ATOM 687 CD GLU A 51 9.747 11.649 -2.643 1.00 0.00 C ATOM 688 OE1 GLU A 51 9.955 10.571 -2.048 1.00 0.00 O ATOM 689 OE2 GLU A 51 10.612 12.541 -2.769 1.00 0.00 O ATOM 0 H GLU A 51 6.170 13.952 -2.060 1.00 0.00 H new ATOM 0 HA GLU A 51 6.103 11.402 -0.673 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.664 10.268 -2.038 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.477 10.904 -3.160 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.366 11.537 -4.274 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.174 12.958 -3.268 1.00 0.00 H new ATOM 696 N GLY A 52 7.908 12.346 0.714 1.00 0.00 N ATOM 697 CA GLY A 52 8.936 12.924 1.561 1.00 0.00 C ATOM 698 C GLY A 52 9.459 11.943 2.590 1.00 0.00 C ATOM 699 O GLY A 52 10.635 11.979 2.951 1.00 0.00 O ATOM 0 H GLY A 52 7.314 11.655 1.172 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.762 13.269 0.940 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.533 13.799 2.070 1.00 0.00 H new ATOM 703 N GLY A 53 8.584 11.062 3.065 1.00 0.00 N ATOM 704 CA GLY A 53 8.983 10.080 4.057 1.00 0.00 C ATOM 705 C GLY A 53 7.968 8.964 4.208 1.00 0.00 C ATOM 706 O GLY A 53 7.449 8.731 5.301 1.00 0.00 O ATOM 0 H GLY A 53 7.606 11.011 2.781 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.947 9.655 3.776 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.121 10.574 5.019 1.00 0.00 H new ATOM 710 N LEU A 54 7.683 8.273 3.110 1.00 0.00 N ATOM 711 CA LEU A 54 6.722 7.175 3.125 1.00 0.00 C ATOM 712 C LEU A 54 7.429 5.834 3.289 1.00 0.00 C ATOM 713 O LEU A 54 8.505 5.616 2.731 1.00 0.00 O ATOM 714 CB LEU A 54 5.898 7.176 1.837 1.00 0.00 C ATOM 715 CG LEU A 54 5.053 5.927 1.579 1.00 0.00 C ATOM 716 CD1 LEU A 54 3.895 5.855 2.562 1.00 0.00 C ATOM 717 CD2 LEU A 54 4.542 5.915 0.146 1.00 0.00 C ATOM 0 H LEU A 54 8.103 8.453 2.198 1.00 0.00 H new ATOM 0 HA LEU A 54 6.056 7.319 3.976 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.235 8.041 1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.577 7.311 0.995 1.00 0.00 H new ATOM 0 HG LEU A 54 5.682 5.049 1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.305 4.960 2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.284 5.815 3.580 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.266 6.738 2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.943 5.019 -0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.929 6.799 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.388 5.918 -0.542 1.00 0.00 H new ATOM 729 N ASP A 55 6.817 4.938 4.056 1.00 0.00 N ATOM 730 CA ASP A 55 7.387 3.617 4.291 1.00 0.00 C ATOM 731 C ASP A 55 6.301 2.545 4.264 1.00 0.00 C ATOM 732 O ASP A 55 5.443 2.493 5.146 1.00 0.00 O ATOM 733 CB ASP A 55 8.119 3.584 5.633 1.00 0.00 C ATOM 734 CG ASP A 55 9.427 4.350 5.598 1.00 0.00 C ATOM 735 OD1 ASP A 55 9.385 5.598 5.644 1.00 0.00 O ATOM 736 OD2 ASP A 55 10.492 3.703 5.522 1.00 0.00 O ATOM 0 H ASP A 55 5.926 5.103 4.525 1.00 0.00 H new ATOM 0 HA ASP A 55 8.100 3.409 3.493 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.475 4.005 6.405 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.315 2.549 5.911 1.00 0.00 H new ATOM 741 N LEU A 56 6.345 1.692 3.246 1.00 0.00 N ATOM 742 CA LEU A 56 5.365 0.621 3.103 1.00 0.00 C ATOM 743 C LEU A 56 5.962 -0.722 3.510 1.00 0.00 C ATOM 744 O LEU A 56 7.055 -1.083 3.075 1.00 0.00 O ATOM 745 CB LEU A 56 4.862 0.553 1.660 1.00 0.00 C ATOM 746 CG LEU A 56 3.644 1.417 1.332 1.00 0.00 C ATOM 747 CD1 LEU A 56 4.078 2.803 0.882 1.00 0.00 C ATOM 748 CD2 LEU A 56 2.790 0.750 0.263 1.00 0.00 C ATOM 0 H LEU A 56 7.048 1.721 2.508 1.00 0.00 H new ATOM 0 HA LEU A 56 4.526 0.839 3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.678 0.844 0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.619 -0.484 1.430 1.00 0.00 H new ATOM 0 HG LEU A 56 3.043 1.523 2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.198 3.403 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.647 3.283 1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.701 2.718 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.927 1.379 0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.381 0.614 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.449 -0.221 0.623 1.00 0.00 H new ATOM 760 N ALA A 57 5.236 -1.459 4.344 1.00 0.00 N ATOM 761 CA ALA A 57 5.692 -2.764 4.806 1.00 0.00 C ATOM 762 C ALA A 57 4.526 -3.604 5.316 1.00 0.00 C ATOM 763 O ALA A 57 3.849 -3.227 6.273 1.00 0.00 O ATOM 764 CB ALA A 57 6.743 -2.601 5.894 1.00 0.00 C ATOM 0 H ALA A 57 4.329 -1.174 4.714 1.00 0.00 H new ATOM 0 HA ALA A 57 6.139 -3.286 3.960 1.00 0.00 H new ATOM 0 HB1 ALA A 57 7.075 -3.584 6.230 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.594 -2.047 5.498 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.315 -2.056 6.735 1.00 0.00 H new ATOM 770 N ILE A 58 4.297 -4.743 4.670 1.00 0.00 N ATOM 771 CA ILE A 58 3.213 -5.636 5.059 1.00 0.00 C ATOM 772 C ILE A 58 3.743 -6.840 5.831 1.00 0.00 C ATOM 773 O ILE A 58 4.796 -7.385 5.502 1.00 0.00 O ATOM 774 CB ILE A 58 2.425 -6.132 3.832 1.00 0.00 C ATOM 775 CG1 ILE A 58 1.873 -4.946 3.039 1.00 0.00 C ATOM 776 CG2 ILE A 58 1.298 -7.057 4.266 1.00 0.00 C ATOM 777 CD1 ILE A 58 1.322 -5.330 1.684 1.00 0.00 C ATOM 0 H ILE A 58 4.848 -5.069 3.875 1.00 0.00 H new ATOM 0 HA ILE A 58 2.545 -5.062 5.701 1.00 0.00 H new ATOM 0 HB ILE A 58 3.101 -6.693 3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.085 -4.466 3.620 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.665 -4.209 2.905 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.750 -7.400 3.388 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.715 -7.916 4.792 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.621 -6.519 4.929 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.948 -4.440 1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.112 -5.783 1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.508 -6.044 1.811 1.00 0.00 H new ATOM 789 N GLU A 59 3.003 -7.250 6.857 1.00 0.00 N ATOM 790 CA GLU A 59 3.399 -8.391 7.674 1.00 0.00 C ATOM 791 C GLU A 59 2.270 -9.413 7.765 1.00 0.00 C ATOM 792 O GLU A 59 1.137 -9.140 7.370 1.00 0.00 O ATOM 793 CB GLU A 59 3.796 -7.928 9.078 1.00 0.00 C ATOM 794 CG GLU A 59 5.198 -7.348 9.154 1.00 0.00 C ATOM 795 CD GLU A 59 6.266 -8.418 9.276 1.00 0.00 C ATOM 796 OE1 GLU A 59 6.113 -9.483 8.641 1.00 0.00 O ATOM 797 OE2 GLU A 59 7.253 -8.192 10.007 1.00 0.00 O ATOM 0 H GLU A 59 2.128 -6.810 7.141 1.00 0.00 H new ATOM 0 HA GLU A 59 4.258 -8.865 7.198 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.083 -7.178 9.419 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.723 -8.772 9.764 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.388 -6.750 8.263 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.263 -6.676 10.009 1.00 0.00 H new ATOM 804 N GLY A 60 2.588 -10.594 8.287 1.00 0.00 N ATOM 805 CA GLY A 60 1.591 -11.640 8.419 1.00 0.00 C ATOM 806 C GLY A 60 2.204 -13.026 8.440 1.00 0.00 C ATOM 807 O GLY A 60 3.383 -13.202 8.749 1.00 0.00 O ATOM 0 H GLY A 60 3.519 -10.845 8.621 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.024 -11.483 9.336 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.885 -11.571 7.592 1.00 0.00 H new ATOM 811 N PRO A 61 1.393 -14.041 8.108 1.00 0.00 N ATOM 812 CA PRO A 61 1.841 -15.437 8.083 1.00 0.00 C ATOM 813 C PRO A 61 2.815 -15.713 6.944 1.00 0.00 C ATOM 814 O PRO A 61 3.452 -16.765 6.901 1.00 0.00 O ATOM 815 CB PRO A 61 0.543 -16.222 7.879 1.00 0.00 C ATOM 816 CG PRO A 61 -0.375 -15.266 7.198 1.00 0.00 C ATOM 817 CD PRO A 61 -0.024 -13.904 7.729 1.00 0.00 C ATOM 0 HA PRO A 61 2.381 -15.708 8.990 1.00 0.00 H new ATOM 0 HB2 PRO A 61 0.710 -17.112 7.272 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.130 -16.558 8.830 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -0.249 -15.307 6.116 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.417 -15.510 7.407 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.165 -13.130 6.975 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.644 -13.634 8.583 1.00 0.00 H new ATOM 825 N SER A 62 2.926 -14.761 6.022 1.00 0.00 N ATOM 826 CA SER A 62 3.821 -14.904 4.880 1.00 0.00 C ATOM 827 C SER A 62 4.257 -13.539 4.357 1.00 0.00 C ATOM 828 O SER A 62 3.563 -12.539 4.544 1.00 0.00 O ATOM 829 CB SER A 62 3.136 -15.695 3.764 1.00 0.00 C ATOM 830 OG SER A 62 4.089 -16.269 2.886 1.00 0.00 O ATOM 0 H SER A 62 2.407 -13.883 6.044 1.00 0.00 H new ATOM 0 HA SER A 62 4.707 -15.447 5.210 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.517 -16.481 4.198 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.471 -15.038 3.204 1.00 0.00 H new ATOM 0 HG SER A 62 3.802 -17.173 2.637 1.00 0.00 H new ATOM 836 N LYS A 63 5.412 -13.504 3.701 1.00 0.00 N ATOM 837 CA LYS A 63 5.943 -12.264 3.149 1.00 0.00 C ATOM 838 C LYS A 63 5.335 -11.973 1.781 1.00 0.00 C ATOM 839 O LYS A 63 5.446 -12.780 0.858 1.00 0.00 O ATOM 840 CB LYS A 63 7.467 -12.342 3.036 1.00 0.00 C ATOM 841 CG LYS A 63 8.193 -11.929 4.305 1.00 0.00 C ATOM 842 CD LYS A 63 9.676 -12.253 4.229 1.00 0.00 C ATOM 843 CE LYS A 63 9.940 -13.723 4.519 1.00 0.00 C ATOM 844 NZ LYS A 63 11.315 -13.945 5.047 1.00 0.00 N ATOM 0 H LYS A 63 5.999 -14.322 3.539 1.00 0.00 H new ATOM 0 HA LYS A 63 5.677 -11.452 3.825 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.752 -13.362 2.780 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.795 -11.704 2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.061 -10.860 4.469 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.751 -12.440 5.161 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.054 -12.003 3.238 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.222 -11.636 4.943 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.210 -14.088 5.242 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.803 -14.304 3.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.456 -14.959 5.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.012 -13.620 4.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.438 -13.411 5.931 1.00 0.00 H new ATOM 858 N ALA A 64 4.694 -10.816 1.656 1.00 0.00 N ATOM 859 CA ALA A 64 4.072 -10.418 0.399 1.00 0.00 C ATOM 860 C ALA A 64 4.813 -9.244 -0.232 1.00 0.00 C ATOM 861 O ALA A 64 4.987 -8.200 0.394 1.00 0.00 O ATOM 862 CB ALA A 64 2.610 -10.063 0.623 1.00 0.00 C ATOM 0 H ALA A 64 4.592 -10.137 2.410 1.00 0.00 H new ATOM 0 HA ALA A 64 4.128 -11.261 -0.289 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.158 -9.768 -0.324 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.082 -10.929 1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.540 -9.237 1.331 1.00 0.00 H new ATOM 868 N GLU A 65 5.247 -9.424 -1.476 1.00 0.00 N ATOM 869 CA GLU A 65 5.970 -8.379 -2.190 1.00 0.00 C ATOM 870 C GLU A 65 5.116 -7.122 -2.327 1.00 0.00 C ATOM 871 O GLU A 65 3.902 -7.159 -2.123 1.00 0.00 O ATOM 872 CB GLU A 65 6.392 -8.876 -3.575 1.00 0.00 C ATOM 873 CG GLU A 65 5.222 -9.161 -4.502 1.00 0.00 C ATOM 874 CD GLU A 65 5.533 -10.241 -5.519 1.00 0.00 C ATOM 875 OE1 GLU A 65 6.686 -10.291 -5.997 1.00 0.00 O ATOM 876 OE2 GLU A 65 4.625 -11.036 -5.838 1.00 0.00 O ATOM 0 H GLU A 65 5.110 -10.283 -2.009 1.00 0.00 H new ATOM 0 HA GLU A 65 6.861 -8.130 -1.614 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.038 -8.130 -4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.984 -9.784 -3.461 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.359 -9.463 -3.909 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.945 -8.245 -5.024 1.00 0.00 H new ATOM 883 N ILE A 66 5.759 -6.012 -2.672 1.00 0.00 N ATOM 884 CA ILE A 66 5.059 -4.744 -2.836 1.00 0.00 C ATOM 885 C ILE A 66 5.609 -3.962 -4.024 1.00 0.00 C ATOM 886 O ILE A 66 6.812 -3.717 -4.116 1.00 0.00 O ATOM 887 CB ILE A 66 5.166 -3.874 -1.569 1.00 0.00 C ATOM 888 CG1 ILE A 66 4.454 -4.552 -0.397 1.00 0.00 C ATOM 889 CG2 ILE A 66 4.581 -2.493 -1.825 1.00 0.00 C ATOM 890 CD1 ILE A 66 4.856 -4.001 0.954 1.00 0.00 C ATOM 0 H ILE A 66 6.763 -5.965 -2.843 1.00 0.00 H new ATOM 0 HA ILE A 66 4.011 -4.983 -3.015 1.00 0.00 H new ATOM 0 HB ILE A 66 6.219 -3.759 -1.312 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.377 -4.438 -0.521 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.666 -5.621 -0.422 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.664 -1.890 -0.921 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.128 -2.010 -2.635 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.531 -2.588 -2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.312 -4.528 1.738 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.927 -4.139 1.099 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.618 -2.938 0.999 1.00 0.00 H new ATOM 902 N SER A 67 4.719 -3.571 -4.931 1.00 0.00 N ATOM 903 CA SER A 67 5.115 -2.818 -6.115 1.00 0.00 C ATOM 904 C SER A 67 4.447 -1.447 -6.136 1.00 0.00 C ATOM 905 O SER A 67 3.389 -1.268 -6.740 1.00 0.00 O ATOM 906 CB SER A 67 4.753 -3.594 -7.383 1.00 0.00 C ATOM 907 OG SER A 67 5.285 -4.906 -7.348 1.00 0.00 O ATOM 0 H SER A 67 3.719 -3.763 -4.868 1.00 0.00 H new ATOM 0 HA SER A 67 6.195 -2.676 -6.080 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.669 -3.641 -7.487 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.135 -3.067 -8.257 1.00 0.00 H new ATOM 0 HG SER A 67 5.038 -5.381 -8.169 1.00 0.00 H new ATOM 913 N CYS A 68 5.072 -0.482 -5.470 1.00 0.00 N ATOM 914 CA CYS A 68 4.539 0.874 -5.410 1.00 0.00 C ATOM 915 C CYS A 68 4.635 1.557 -6.771 1.00 0.00 C ATOM 916 O CYS A 68 5.694 1.567 -7.398 1.00 0.00 O ATOM 917 CB CYS A 68 5.291 1.694 -4.361 1.00 0.00 C ATOM 918 SG CYS A 68 5.006 1.155 -2.659 1.00 0.00 S ATOM 0 H CYS A 68 5.948 -0.614 -4.964 1.00 0.00 H new ATOM 0 HA CYS A 68 3.488 0.812 -5.128 1.00 0.00 H new ATOM 0 HB2 CYS A 68 6.359 1.643 -4.573 1.00 0.00 H new ATOM 0 HB3 CYS A 68 4.997 2.740 -4.454 1.00 0.00 H new ATOM 0 HG CYS A 68 5.686 1.908 -1.846 1.00 0.00 H new ATOM 924 N ILE A 69 3.521 2.125 -7.221 1.00 0.00 N ATOM 925 CA ILE A 69 3.480 2.809 -8.508 1.00 0.00 C ATOM 926 C ILE A 69 2.936 4.226 -8.360 1.00 0.00 C ATOM 927 O ILE A 69 1.838 4.430 -7.841 1.00 0.00 O ATOM 928 CB ILE A 69 2.614 2.043 -9.525 1.00 0.00 C ATOM 929 CG1 ILE A 69 3.142 0.618 -9.706 1.00 0.00 C ATOM 930 CG2 ILE A 69 2.588 2.777 -10.858 1.00 0.00 C ATOM 931 CD1 ILE A 69 2.106 -0.347 -10.238 1.00 0.00 C ATOM 0 H ILE A 69 2.636 2.125 -6.714 1.00 0.00 H new ATOM 0 HA ILE A 69 4.505 2.852 -8.875 1.00 0.00 H new ATOM 0 HB ILE A 69 1.595 1.987 -9.143 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.992 0.638 -10.388 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.510 0.251 -8.748 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.972 2.223 -11.566 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.171 3.774 -10.716 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.603 2.860 -11.247 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.550 -1.337 -10.341 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.265 -0.397 -9.546 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.755 -0.004 -11.211 1.00 0.00 H new ATOM 943 N ASP A 70 3.710 5.202 -8.821 1.00 0.00 N ATOM 944 CA ASP A 70 3.305 6.601 -8.743 1.00 0.00 C ATOM 945 C ASP A 70 2.475 6.995 -9.960 1.00 0.00 C ATOM 946 O ASP A 70 2.902 6.815 -11.100 1.00 0.00 O ATOM 947 CB ASP A 70 4.535 7.505 -8.634 1.00 0.00 C ATOM 948 CG ASP A 70 4.187 8.974 -8.773 1.00 0.00 C ATOM 949 OD1 ASP A 70 3.343 9.461 -7.992 1.00 0.00 O ATOM 950 OD2 ASP A 70 4.760 9.637 -9.662 1.00 0.00 O ATOM 0 H ASP A 70 4.622 5.050 -9.253 1.00 0.00 H new ATOM 0 HA ASP A 70 2.691 6.727 -7.851 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.020 7.339 -7.672 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.254 7.230 -9.406 1.00 0.00 H new ATOM 955 N ASN A 71 1.286 7.533 -9.710 1.00 0.00 N ATOM 956 CA ASN A 71 0.394 7.951 -10.786 1.00 0.00 C ATOM 957 C ASN A 71 0.273 9.471 -10.832 1.00 0.00 C ATOM 958 O ASN A 71 0.393 10.146 -9.810 1.00 0.00 O ATOM 959 CB ASN A 71 -0.989 7.323 -10.603 1.00 0.00 C ATOM 960 CG ASN A 71 -1.048 5.895 -11.112 1.00 0.00 C ATOM 961 OD1 ASN A 71 -0.416 4.982 -10.384 1.00 0.00 O flip ATOM 962 ND2 ASN A 71 -1.655 5.618 -12.146 1.00 0.00 N flip ATOM 0 H ASN A 71 0.918 7.690 -8.772 1.00 0.00 H new ATOM 0 HA ASN A 71 0.818 7.609 -11.730 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.256 7.340 -9.546 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.731 7.924 -11.129 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.126 6.353 -12.673 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.687 4.653 -12.476 1.00 0.00 H new ATOM 969 N LYS A 72 0.033 10.003 -12.025 1.00 0.00 N ATOM 970 CA LYS A 72 -0.107 11.443 -12.207 1.00 0.00 C ATOM 971 C LYS A 72 -1.575 11.835 -12.336 1.00 0.00 C ATOM 972 O LYS A 72 -1.941 12.631 -13.202 1.00 0.00 O ATOM 973 CB LYS A 72 0.665 11.899 -13.447 1.00 0.00 C ATOM 974 CG LYS A 72 0.766 13.409 -13.580 1.00 0.00 C ATOM 975 CD LYS A 72 2.001 13.949 -12.878 1.00 0.00 C ATOM 976 CE LYS A 72 2.017 15.470 -12.870 1.00 0.00 C ATOM 977 NZ LYS A 72 2.246 16.030 -14.231 1.00 0.00 N ATOM 0 H LYS A 72 -0.069 9.458 -12.881 1.00 0.00 H new ATOM 0 HA LYS A 72 0.307 11.937 -11.328 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.670 11.478 -13.414 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.179 11.496 -14.336 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.798 13.681 -14.635 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.126 13.873 -13.158 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.030 13.578 -11.853 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.896 13.577 -13.377 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.069 15.841 -12.479 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.799 15.821 -12.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.250 17.069 -14.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.162 15.697 -14.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.486 15.716 -14.868 1.00 0.00 H new ATOM 991 N ASP A 73 -2.412 11.273 -11.470 1.00 0.00 N ATOM 992 CA ASP A 73 -3.840 11.566 -11.487 1.00 0.00 C ATOM 993 C ASP A 73 -4.285 12.176 -10.161 1.00 0.00 C ATOM 994 O ASP A 73 -5.319 12.839 -10.086 1.00 0.00 O ATOM 995 CB ASP A 73 -4.640 10.294 -11.771 1.00 0.00 C ATOM 996 CG ASP A 73 -4.341 9.716 -13.140 1.00 0.00 C ATOM 997 OD1 ASP A 73 -4.381 10.479 -14.128 1.00 0.00 O ATOM 998 OD2 ASP A 73 -4.065 8.501 -13.223 1.00 0.00 O ATOM 0 H ASP A 73 -2.126 10.612 -10.748 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.028 12.289 -12.281 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.415 9.549 -11.008 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.705 10.514 -11.697 1.00 0.00 H new ATOM 1003 N GLY A 74 -3.496 11.946 -9.115 1.00 0.00 N ATOM 1004 CA GLY A 74 -3.826 12.479 -7.806 1.00 0.00 C ATOM 1005 C GLY A 74 -3.582 11.477 -6.695 1.00 0.00 C ATOM 1006 O GLY A 74 -3.276 11.856 -5.563 1.00 0.00 O ATOM 0 H GLY A 74 -2.635 11.400 -9.151 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.232 13.374 -7.621 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.873 12.783 -7.794 1.00 0.00 H new ATOM 1010 N THR A 75 -3.718 10.194 -7.015 1.00 0.00 N ATOM 1011 CA THR A 75 -3.513 9.136 -6.035 1.00 0.00 C ATOM 1012 C THR A 75 -2.440 8.158 -6.499 1.00 0.00 C ATOM 1013 O THR A 75 -2.044 8.162 -7.665 1.00 0.00 O ATOM 1014 CB THR A 75 -4.816 8.360 -5.765 1.00 0.00 C ATOM 1015 OG1 THR A 75 -5.248 7.698 -6.959 1.00 0.00 O ATOM 1016 CG2 THR A 75 -5.911 9.296 -5.274 1.00 0.00 C ATOM 0 H THR A 75 -3.970 9.863 -7.946 1.00 0.00 H new ATOM 0 HA THR A 75 -3.188 9.618 -5.113 1.00 0.00 H new ATOM 0 HB THR A 75 -4.618 7.619 -4.990 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.076 7.206 -6.779 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.822 8.726 -5.090 1.00 0.00 H new ATOM 0 HG22 THR A 75 -5.591 9.777 -4.350 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.106 10.056 -6.030 1.00 0.00 H new ATOM 1024 N CYS A 76 -1.973 7.320 -5.580 1.00 0.00 N ATOM 1025 CA CYS A 76 -0.944 6.335 -5.895 1.00 0.00 C ATOM 1026 C CYS A 76 -1.547 4.939 -6.017 1.00 0.00 C ATOM 1027 O CYS A 76 -2.634 4.673 -5.503 1.00 0.00 O ATOM 1028 CB CYS A 76 0.144 6.342 -4.821 1.00 0.00 C ATOM 1029 SG CYS A 76 1.316 7.711 -4.965 1.00 0.00 S ATOM 0 H CYS A 76 -2.290 7.303 -4.611 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.499 6.604 -6.853 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -0.329 6.385 -3.840 1.00 0.00 H new ATOM 0 HB3 CYS A 76 0.693 5.402 -4.869 1.00 0.00 H new ATOM 0 HG CYS A 76 2.196 7.631 -4.011 1.00 0.00 H new ATOM 1035 N THR A 77 -0.834 4.050 -6.702 1.00 0.00 N ATOM 1036 CA THR A 77 -1.300 2.682 -6.894 1.00 0.00 C ATOM 1037 C THR A 77 -0.280 1.676 -6.373 1.00 0.00 C ATOM 1038 O THR A 77 0.849 1.612 -6.862 1.00 0.00 O ATOM 1039 CB THR A 77 -1.582 2.388 -8.380 1.00 0.00 C ATOM 1040 OG1 THR A 77 -2.484 3.366 -8.910 1.00 0.00 O ATOM 1041 CG2 THR A 77 -2.173 0.998 -8.553 1.00 0.00 C ATOM 0 H THR A 77 0.068 4.253 -7.133 1.00 0.00 H new ATOM 0 HA THR A 77 -2.227 2.581 -6.329 1.00 0.00 H new ATOM 0 HB THR A 77 -0.638 2.434 -8.923 1.00 0.00 H new ATOM 0 HG1 THR A 77 -1.983 4.017 -9.445 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.364 0.813 -9.610 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.471 0.255 -8.175 1.00 0.00 H new ATOM 0 HG23 THR A 77 -3.109 0.929 -7.998 1.00 0.00 H new ATOM 1049 N VAL A 78 -0.684 0.891 -5.379 1.00 0.00 N ATOM 1050 CA VAL A 78 0.195 -0.113 -4.793 1.00 0.00 C ATOM 1051 C VAL A 78 -0.442 -1.498 -4.844 1.00 0.00 C ATOM 1052 O VAL A 78 -1.420 -1.770 -4.148 1.00 0.00 O ATOM 1053 CB VAL A 78 0.541 0.227 -3.332 1.00 0.00 C ATOM 1054 CG1 VAL A 78 1.171 -0.972 -2.639 1.00 0.00 C ATOM 1055 CG2 VAL A 78 1.463 1.435 -3.270 1.00 0.00 C ATOM 0 H VAL A 78 -1.614 0.931 -4.963 1.00 0.00 H new ATOM 0 HA VAL A 78 1.111 -0.115 -5.384 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.381 0.476 -2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.409 -0.713 -1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.472 -1.808 -2.651 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.085 -1.256 -3.161 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.697 1.661 -2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.384 1.218 -3.810 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.969 2.293 -3.725 1.00 0.00 H new ATOM 1065 N THR A 79 0.119 -2.371 -5.674 1.00 0.00 N ATOM 1066 CA THR A 79 -0.394 -3.728 -5.818 1.00 0.00 C ATOM 1067 C THR A 79 0.479 -4.728 -5.067 1.00 0.00 C ATOM 1068 O THR A 79 1.691 -4.547 -4.956 1.00 0.00 O ATOM 1069 CB THR A 79 -0.474 -4.145 -7.298 1.00 0.00 C ATOM 1070 OG1 THR A 79 -1.255 -3.195 -8.033 1.00 0.00 O ATOM 1071 CG2 THR A 79 -1.088 -5.530 -7.438 1.00 0.00 C ATOM 0 H THR A 79 0.929 -2.163 -6.257 1.00 0.00 H new ATOM 0 HA THR A 79 -1.397 -3.733 -5.392 1.00 0.00 H new ATOM 0 HB THR A 79 0.539 -4.172 -7.700 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.300 -3.466 -8.974 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.134 -5.803 -8.492 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.476 -6.255 -6.902 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.095 -5.526 -7.020 1.00 0.00 H new ATOM 1079 N TYR A 80 -0.146 -5.782 -4.554 1.00 0.00 N ATOM 1080 CA TYR A 80 0.574 -6.810 -3.812 1.00 0.00 C ATOM 1081 C TYR A 80 -0.130 -8.159 -3.927 1.00 0.00 C ATOM 1082 O TYR A 80 -1.352 -8.225 -4.072 1.00 0.00 O ATOM 1083 CB TYR A 80 0.700 -6.412 -2.340 1.00 0.00 C ATOM 1084 CG TYR A 80 -0.553 -6.668 -1.534 1.00 0.00 C ATOM 1085 CD1 TYR A 80 -1.583 -5.736 -1.501 1.00 0.00 C ATOM 1086 CD2 TYR A 80 -0.707 -7.841 -0.805 1.00 0.00 C ATOM 1087 CE1 TYR A 80 -2.730 -5.965 -0.765 1.00 0.00 C ATOM 1088 CE2 TYR A 80 -1.851 -8.079 -0.068 1.00 0.00 C ATOM 1089 CZ TYR A 80 -2.859 -7.138 -0.051 1.00 0.00 C ATOM 1090 OH TYR A 80 -4.000 -7.371 0.683 1.00 0.00 O ATOM 0 H TYR A 80 -1.149 -5.947 -4.638 1.00 0.00 H new ATOM 0 HA TYR A 80 1.571 -6.903 -4.243 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.528 -6.962 -1.893 1.00 0.00 H new ATOM 0 HB3 TYR A 80 0.951 -5.353 -2.279 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -1.486 -4.817 -2.060 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.081 -8.579 -0.815 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -3.521 -5.230 -0.749 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -1.955 -8.997 0.492 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.490 -6.530 0.802 1.00 0.00 H new ATOM 1100 N LEU A 81 0.649 -9.233 -3.861 1.00 0.00 N ATOM 1101 CA LEU A 81 0.102 -10.582 -3.957 1.00 0.00 C ATOM 1102 C LEU A 81 0.495 -11.416 -2.742 1.00 0.00 C ATOM 1103 O LEU A 81 1.665 -11.729 -2.525 1.00 0.00 O ATOM 1104 CB LEU A 81 0.592 -11.262 -5.237 1.00 0.00 C ATOM 1105 CG LEU A 81 0.308 -12.760 -5.352 1.00 0.00 C ATOM 1106 CD1 LEU A 81 -1.050 -12.998 -5.995 1.00 0.00 C ATOM 1107 CD2 LEU A 81 1.405 -13.451 -6.147 1.00 0.00 C ATOM 0 H LEU A 81 1.661 -9.196 -3.741 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.985 -10.506 -3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.135 -10.759 -6.089 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.668 -11.109 -5.317 1.00 0.00 H new ATOM 0 HG LEU A 81 0.291 -13.185 -4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.235 -14.070 -6.069 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.827 -12.537 -5.385 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.062 -12.558 -6.992 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.186 -14.516 -6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.454 -13.022 -7.148 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.362 -13.310 -5.645 1.00 0.00 H new ATOM 1119 N PRO A 82 -0.507 -11.788 -1.931 1.00 0.00 N ATOM 1120 CA PRO A 82 -0.291 -12.593 -0.725 1.00 0.00 C ATOM 1121 C PRO A 82 0.108 -14.029 -1.051 1.00 0.00 C ATOM 1122 O PRO A 82 -0.024 -14.478 -2.190 1.00 0.00 O ATOM 1123 CB PRO A 82 -1.655 -12.563 -0.030 1.00 0.00 C ATOM 1124 CG PRO A 82 -2.634 -12.321 -1.126 1.00 0.00 C ATOM 1125 CD PRO A 82 -1.927 -11.451 -2.128 1.00 0.00 C ATOM 0 HA PRO A 82 0.523 -12.202 -0.114 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.859 -13.503 0.482 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.699 -11.775 0.721 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.952 -13.260 -1.580 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.531 -11.830 -0.747 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.253 -11.664 -3.146 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.118 -10.393 -1.947 1.00 0.00 H new ATOM 1133 N THR A 83 0.598 -14.745 -0.044 1.00 0.00 N ATOM 1134 CA THR A 83 1.018 -16.129 -0.223 1.00 0.00 C ATOM 1135 C THR A 83 0.192 -17.071 0.646 1.00 0.00 C ATOM 1136 O THR A 83 0.103 -18.268 0.371 1.00 0.00 O ATOM 1137 CB THR A 83 2.509 -16.312 0.114 1.00 0.00 C ATOM 1138 OG1 THR A 83 3.263 -15.197 -0.376 1.00 0.00 O ATOM 1139 CG2 THR A 83 3.047 -17.600 -0.492 1.00 0.00 C ATOM 0 H THR A 83 0.714 -14.389 0.905 1.00 0.00 H new ATOM 0 HA THR A 83 0.858 -16.374 -1.273 1.00 0.00 H new ATOM 0 HB THR A 83 2.609 -16.369 1.198 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.210 -15.320 -0.156 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.102 -17.707 -0.240 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.491 -18.449 -0.095 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.934 -17.567 -1.576 1.00 0.00 H new ATOM 1147 N LEU A 84 -0.411 -16.523 1.696 1.00 0.00 N ATOM 1148 CA LEU A 84 -1.230 -17.315 2.606 1.00 0.00 C ATOM 1149 C LEU A 84 -2.314 -16.457 3.250 1.00 0.00 C ATOM 1150 O LEU A 84 -2.117 -15.274 3.532 1.00 0.00 O ATOM 1151 CB LEU A 84 -0.356 -17.951 3.689 1.00 0.00 C ATOM 1152 CG LEU A 84 0.800 -18.820 3.193 1.00 0.00 C ATOM 1153 CD1 LEU A 84 1.818 -19.037 4.302 1.00 0.00 C ATOM 1154 CD2 LEU A 84 0.281 -20.154 2.675 1.00 0.00 C ATOM 0 H LEU A 84 -0.348 -15.534 1.938 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.712 -18.103 2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.055 -17.155 4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.993 -18.560 4.331 1.00 0.00 H new ATOM 0 HG LEU A 84 1.293 -18.301 2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.634 -19.658 3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.213 -18.074 4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.338 -19.535 5.144 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.118 -20.759 2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.237 -20.679 3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.410 -19.980 1.850 1.00 0.00 H new ATOM 1166 N PRO A 85 -3.485 -17.064 3.492 1.00 0.00 N ATOM 1167 CA PRO A 85 -4.622 -16.374 4.108 1.00 0.00 C ATOM 1168 C PRO A 85 -4.376 -16.049 5.578 1.00 0.00 C ATOM 1169 O PRO A 85 -3.852 -16.874 6.326 1.00 0.00 O ATOM 1170 CB PRO A 85 -5.767 -17.381 3.967 1.00 0.00 C ATOM 1171 CG PRO A 85 -5.096 -18.708 3.888 1.00 0.00 C ATOM 1172 CD PRO A 85 -3.790 -18.471 3.182 1.00 0.00 C ATOM 0 HA PRO A 85 -4.821 -15.413 3.634 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.446 -17.331 4.818 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -6.360 -17.184 3.074 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -4.932 -19.122 4.883 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -5.710 -19.424 3.342 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -3.010 -19.141 3.544 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -3.878 -18.636 2.108 1.00 0.00 H new ATOM 1180 N GLY A 86 -4.757 -14.842 5.985 1.00 0.00 N ATOM 1181 CA GLY A 86 -4.570 -14.431 7.364 1.00 0.00 C ATOM 1182 C GLY A 86 -4.605 -12.924 7.529 1.00 0.00 C ATOM 1183 O GLY A 86 -4.421 -12.183 6.564 1.00 0.00 O ATOM 0 H GLY A 86 -5.192 -14.142 5.384 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.348 -14.879 7.982 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.615 -14.811 7.727 1.00 0.00 H new ATOM 1187 N ASP A 87 -4.842 -12.471 8.755 1.00 0.00 N ATOM 1188 CA ASP A 87 -4.902 -11.043 9.043 1.00 0.00 C ATOM 1189 C ASP A 87 -3.556 -10.377 8.771 1.00 0.00 C ATOM 1190 O ASP A 87 -2.702 -10.297 9.654 1.00 0.00 O ATOM 1191 CB ASP A 87 -5.314 -10.811 10.498 1.00 0.00 C ATOM 1192 CG ASP A 87 -4.624 -11.764 11.454 1.00 0.00 C ATOM 1193 OD1 ASP A 87 -3.396 -11.635 11.636 1.00 0.00 O ATOM 1194 OD2 ASP A 87 -5.312 -12.640 12.019 1.00 0.00 O ATOM 0 H ASP A 87 -4.996 -13.072 9.565 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.648 -10.596 8.386 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.079 -9.785 10.780 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.394 -10.927 10.590 1.00 0.00 H new ATOM 1199 N TYR A 88 -3.375 -9.901 7.544 1.00 0.00 N ATOM 1200 CA TYR A 88 -2.133 -9.246 7.154 1.00 0.00 C ATOM 1201 C TYR A 88 -1.992 -7.892 7.843 1.00 0.00 C ATOM 1202 O TYR A 88 -2.849 -7.019 7.704 1.00 0.00 O ATOM 1203 CB TYR A 88 -2.081 -9.066 5.636 1.00 0.00 C ATOM 1204 CG TYR A 88 -1.593 -10.292 4.898 1.00 0.00 C ATOM 1205 CD1 TYR A 88 -0.235 -10.550 4.761 1.00 0.00 C ATOM 1206 CD2 TYR A 88 -2.491 -11.192 4.337 1.00 0.00 C ATOM 1207 CE1 TYR A 88 0.215 -11.669 4.086 1.00 0.00 C ATOM 1208 CE2 TYR A 88 -2.050 -12.314 3.662 1.00 0.00 C ATOM 1209 CZ TYR A 88 -0.696 -12.548 3.539 1.00 0.00 C ATOM 1210 OH TYR A 88 -0.252 -13.664 2.867 1.00 0.00 O ATOM 0 H TYR A 88 -4.073 -9.957 6.802 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.304 -9.881 7.466 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.076 -8.807 5.275 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.428 -8.226 5.400 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.481 -9.865 5.189 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.552 -11.011 4.430 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.274 -11.854 3.987 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.761 -13.004 3.233 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.626 -14.468 3.285 1.00 0.00 H new ATOM 1220 N SER A 89 -0.903 -7.724 8.587 1.00 0.00 N ATOM 1221 CA SER A 89 -0.649 -6.478 9.301 1.00 0.00 C ATOM 1222 C SER A 89 0.074 -5.477 8.406 1.00 0.00 C ATOM 1223 O SER A 89 1.301 -5.496 8.300 1.00 0.00 O ATOM 1224 CB SER A 89 0.179 -6.746 10.559 1.00 0.00 C ATOM 1225 OG SER A 89 -0.398 -7.779 11.339 1.00 0.00 O ATOM 0 H SER A 89 -0.182 -8.435 8.711 1.00 0.00 H new ATOM 0 HA SER A 89 -1.609 -6.052 9.591 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.195 -7.023 10.277 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.250 -5.834 11.152 1.00 0.00 H new ATOM 0 HG SER A 89 0.151 -7.932 12.136 1.00 0.00 H new ATOM 1231 N ILE A 90 -0.695 -4.603 7.765 1.00 0.00 N ATOM 1232 CA ILE A 90 -0.128 -3.593 6.879 1.00 0.00 C ATOM 1233 C ILE A 90 0.395 -2.400 7.671 1.00 0.00 C ATOM 1234 O ILE A 90 -0.325 -1.814 8.482 1.00 0.00 O ATOM 1235 CB ILE A 90 -1.164 -3.099 5.853 1.00 0.00 C ATOM 1236 CG1 ILE A 90 -1.630 -4.258 4.968 1.00 0.00 C ATOM 1237 CG2 ILE A 90 -0.578 -1.981 5.004 1.00 0.00 C ATOM 1238 CD1 ILE A 90 -3.033 -4.080 4.429 1.00 0.00 C ATOM 0 H ILE A 90 -1.712 -4.574 7.842 1.00 0.00 H new ATOM 0 HA ILE A 90 0.699 -4.066 6.349 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.027 -2.706 6.391 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.939 -4.367 4.132 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -1.584 -5.184 5.542 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.323 -1.643 4.284 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.290 -1.149 5.646 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.300 -2.349 4.473 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -3.297 -4.938 3.811 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.735 -4.002 5.259 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.079 -3.172 3.828 1.00 0.00 H new ATOM 1250 N LEU A 91 1.652 -2.042 7.430 1.00 0.00 N ATOM 1251 CA LEU A 91 2.272 -0.916 8.120 1.00 0.00 C ATOM 1252 C LEU A 91 2.658 0.181 7.132 1.00 0.00 C ATOM 1253 O LEU A 91 3.401 -0.059 6.180 1.00 0.00 O ATOM 1254 CB LEU A 91 3.509 -1.383 8.890 1.00 0.00 C ATOM 1255 CG LEU A 91 3.282 -2.496 9.913 1.00 0.00 C ATOM 1256 CD1 LEU A 91 4.531 -3.352 10.056 1.00 0.00 C ATOM 1257 CD2 LEU A 91 2.877 -1.911 11.258 1.00 0.00 C ATOM 0 H LEU A 91 2.261 -2.515 6.762 1.00 0.00 H new ATOM 0 HA LEU A 91 1.546 -0.508 8.824 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.253 -1.725 8.170 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.937 -0.524 9.407 1.00 0.00 H new ATOM 0 HG LEU A 91 2.470 -3.130 9.557 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.351 -4.139 10.788 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.776 -3.801 9.094 1.00 0.00 H new ATOM 0 HD13 LEU A 91 5.362 -2.730 10.389 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.720 -2.718 11.973 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.666 -1.253 11.621 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.954 -1.342 11.144 1.00 0.00 H new ATOM 1269 N VAL A 92 2.150 1.386 7.367 1.00 0.00 N ATOM 1270 CA VAL A 92 2.443 2.522 6.501 1.00 0.00 C ATOM 1271 C VAL A 92 2.755 3.771 7.318 1.00 0.00 C ATOM 1272 O VAL A 92 1.972 4.174 8.179 1.00 0.00 O ATOM 1273 CB VAL A 92 1.268 2.823 5.552 1.00 0.00 C ATOM 1274 CG1 VAL A 92 1.594 4.008 4.656 1.00 0.00 C ATOM 1275 CG2 VAL A 92 0.926 1.595 4.722 1.00 0.00 C ATOM 0 H VAL A 92 1.533 1.601 8.150 1.00 0.00 H new ATOM 0 HA VAL A 92 3.317 2.251 5.910 1.00 0.00 H new ATOM 0 HB VAL A 92 0.396 3.082 6.153 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.752 4.205 3.993 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.785 4.887 5.271 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.479 3.782 4.061 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.094 1.826 4.057 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.793 1.303 4.130 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.646 0.775 5.383 1.00 0.00 H new ATOM 1285 N LYS A 93 3.903 4.380 7.043 1.00 0.00 N ATOM 1286 CA LYS A 93 4.319 5.584 7.751 1.00 0.00 C ATOM 1287 C LYS A 93 4.443 6.764 6.792 1.00 0.00 C ATOM 1288 O LYS A 93 4.704 6.584 5.602 1.00 0.00 O ATOM 1289 CB LYS A 93 5.655 5.349 8.460 1.00 0.00 C ATOM 1290 CG LYS A 93 5.513 4.681 9.817 1.00 0.00 C ATOM 1291 CD LYS A 93 6.769 4.851 10.656 1.00 0.00 C ATOM 1292 CE LYS A 93 6.873 6.258 11.225 1.00 0.00 C ATOM 1293 NZ LYS A 93 7.963 6.369 12.233 1.00 0.00 N ATOM 0 H LYS A 93 4.562 4.059 6.334 1.00 0.00 H new ATOM 0 HA LYS A 93 3.557 5.819 8.494 1.00 0.00 H new ATOM 0 HB2 LYS A 93 6.290 4.732 7.825 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.163 6.305 8.586 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.660 5.107 10.346 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.306 3.620 9.681 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.764 4.127 11.471 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.647 4.638 10.046 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.054 6.965 10.415 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.924 6.535 11.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.817 7.222 12.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.955 5.530 12.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.880 6.433 11.747 1.00 0.00 H new ATOM 1307 N TYR A 94 4.254 7.969 7.316 1.00 0.00 N ATOM 1308 CA TYR A 94 4.344 9.178 6.506 1.00 0.00 C ATOM 1309 C TYR A 94 5.025 10.303 7.279 1.00 0.00 C ATOM 1310 O TYR A 94 4.442 10.885 8.193 1.00 0.00 O ATOM 1311 CB TYR A 94 2.950 9.622 6.059 1.00 0.00 C ATOM 1312 CG TYR A 94 2.523 9.033 4.733 1.00 0.00 C ATOM 1313 CD1 TYR A 94 3.104 9.455 3.544 1.00 0.00 C ATOM 1314 CD2 TYR A 94 1.538 8.055 4.671 1.00 0.00 C ATOM 1315 CE1 TYR A 94 2.716 8.920 2.331 1.00 0.00 C ATOM 1316 CE2 TYR A 94 1.145 7.514 3.462 1.00 0.00 C ATOM 1317 CZ TYR A 94 1.737 7.950 2.295 1.00 0.00 C ATOM 1318 OH TYR A 94 1.348 7.414 1.088 1.00 0.00 O ATOM 0 H TYR A 94 4.037 8.135 8.299 1.00 0.00 H new ATOM 0 HA TYR A 94 4.946 8.951 5.626 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.226 9.339 6.823 1.00 0.00 H new ATOM 0 HB3 TYR A 94 2.930 10.709 5.987 1.00 0.00 H new ATOM 0 HD1 TYR A 94 3.872 10.214 3.568 1.00 0.00 H new ATOM 0 HD2 TYR A 94 1.072 7.712 5.583 1.00 0.00 H new ATOM 0 HE1 TYR A 94 3.177 9.260 1.415 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.378 6.754 3.431 1.00 0.00 H new ATOM 0 HH TYR A 94 1.362 6.436 1.145 1.00 0.00 H new ATOM 1328 N ASN A 95 6.263 10.605 6.903 1.00 0.00 N ATOM 1329 CA ASN A 95 7.025 11.661 7.561 1.00 0.00 C ATOM 1330 C ASN A 95 7.495 11.214 8.941 1.00 0.00 C ATOM 1331 O ASN A 95 7.585 12.018 9.869 1.00 0.00 O ATOM 1332 CB ASN A 95 6.178 12.929 7.684 1.00 0.00 C ATOM 1333 CG ASN A 95 7.019 14.191 7.661 1.00 0.00 C ATOM 1334 OD1 ASN A 95 7.714 14.469 6.684 1.00 0.00 O ATOM 1335 ND2 ASN A 95 6.959 14.961 8.741 1.00 0.00 N ATOM 0 H ASN A 95 6.760 10.134 6.147 1.00 0.00 H new ATOM 0 HA ASN A 95 7.902 11.876 6.950 1.00 0.00 H new ATOM 0 HB2 ASN A 95 5.457 12.961 6.867 1.00 0.00 H new ATOM 0 HB3 ASN A 95 5.607 12.893 8.612 1.00 0.00 H new ATOM 0 HD21 ASN A 95 7.503 15.823 8.784 1.00 0.00 H new ATOM 0 HD22 ASN A 95 6.369 14.691 9.528 1.00 0.00 H new ATOM 1342 N ASP A 96 7.795 9.926 9.070 1.00 0.00 N ATOM 1343 CA ASP A 96 8.257 9.371 10.337 1.00 0.00 C ATOM 1344 C ASP A 96 7.150 9.412 11.385 1.00 0.00 C ATOM 1345 O ASP A 96 7.407 9.633 12.568 1.00 0.00 O ATOM 1346 CB ASP A 96 9.480 10.140 10.839 1.00 0.00 C ATOM 1347 CG ASP A 96 10.275 9.358 11.866 1.00 0.00 C ATOM 1348 OD1 ASP A 96 10.812 8.288 11.511 1.00 0.00 O ATOM 1349 OD2 ASP A 96 10.360 9.817 13.024 1.00 0.00 O ATOM 0 H ASP A 96 7.726 9.247 8.312 1.00 0.00 H new ATOM 0 HA ASP A 96 8.535 8.330 10.169 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.124 10.384 9.994 1.00 0.00 H new ATOM 0 HB3 ASP A 96 9.157 11.085 11.276 1.00 0.00 H new ATOM 1354 N LYS A 97 5.915 9.197 10.942 1.00 0.00 N ATOM 1355 CA LYS A 97 4.767 9.209 11.840 1.00 0.00 C ATOM 1356 C LYS A 97 3.621 8.380 11.270 1.00 0.00 C ATOM 1357 O LYS A 97 3.009 8.754 10.269 1.00 0.00 O ATOM 1358 CB LYS A 97 4.299 10.646 12.084 1.00 0.00 C ATOM 1359 CG LYS A 97 4.994 11.322 13.253 1.00 0.00 C ATOM 1360 CD LYS A 97 4.524 12.757 13.427 1.00 0.00 C ATOM 1361 CE LYS A 97 5.356 13.720 12.594 1.00 0.00 C ATOM 1362 NZ LYS A 97 5.039 15.141 12.908 1.00 0.00 N ATOM 0 H LYS A 97 5.684 9.012 9.966 1.00 0.00 H new ATOM 0 HA LYS A 97 5.075 8.767 12.788 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.470 11.233 11.182 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.224 10.643 12.264 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.799 10.761 14.167 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.072 11.308 13.094 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.476 12.836 13.138 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.586 13.037 14.479 1.00 0.00 H new ATOM 0 HE2 LYS A 97 6.415 13.535 12.775 1.00 0.00 H new ATOM 0 HE3 LYS A 97 5.176 13.533 11.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.627 15.766 12.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.034 15.324 12.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.234 15.327 13.912 1.00 0.00 H new ATOM 1376 N HIS A 98 3.334 7.253 11.913 1.00 0.00 N ATOM 1377 CA HIS A 98 2.260 6.371 11.471 1.00 0.00 C ATOM 1378 C HIS A 98 0.945 7.135 11.352 1.00 0.00 C ATOM 1379 O HIS A 98 0.571 7.889 12.251 1.00 0.00 O ATOM 1380 CB HIS A 98 2.098 5.202 12.442 1.00 0.00 C ATOM 1381 CG HIS A 98 2.945 4.016 12.098 1.00 0.00 C ATOM 1382 ND1 HIS A 98 2.549 3.041 11.207 1.00 0.00 N ATOM 1383 CD2 HIS A 98 4.175 3.651 12.530 1.00 0.00 C ATOM 1384 CE1 HIS A 98 3.498 2.127 11.107 1.00 0.00 C ATOM 1385 NE2 HIS A 98 4.496 2.474 11.899 1.00 0.00 N ATOM 0 H HIS A 98 3.831 6.929 12.743 1.00 0.00 H new ATOM 0 HA HIS A 98 2.525 5.982 10.488 1.00 0.00 H new ATOM 0 HB2 HIS A 98 2.350 5.538 13.448 1.00 0.00 H new ATOM 0 HB3 HIS A 98 1.051 4.898 12.460 1.00 0.00 H new ATOM 0 HD2 HIS A 98 4.790 4.186 13.239 1.00 0.00 H new ATOM 0 HE1 HIS A 98 3.463 1.246 10.483 1.00 0.00 H new ATOM 0 HE2 HIS A 98 5.364 1.953 12.022 1.00 0.00 H new ATOM 1393 N ILE A 99 0.249 6.936 10.238 1.00 0.00 N ATOM 1394 CA ILE A 99 -1.024 7.606 10.003 1.00 0.00 C ATOM 1395 C ILE A 99 -2.083 7.139 10.997 1.00 0.00 C ATOM 1396 O ILE A 99 -1.974 6.073 11.603 1.00 0.00 O ATOM 1397 CB ILE A 99 -1.536 7.357 8.571 1.00 0.00 C ATOM 1398 CG1 ILE A 99 -1.115 5.967 8.091 1.00 0.00 C ATOM 1399 CG2 ILE A 99 -1.012 8.430 7.628 1.00 0.00 C ATOM 1400 CD1 ILE A 99 -2.026 5.394 7.027 1.00 0.00 C ATOM 0 H ILE A 99 0.545 6.316 9.484 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.848 8.673 10.137 1.00 0.00 H new ATOM 0 HB ILE A 99 -2.625 7.405 8.576 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -0.099 6.019 7.699 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -1.093 5.288 8.943 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -1.382 8.241 6.620 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.356 9.408 7.963 1.00 0.00 H new ATOM 0 HG23 ILE A 99 0.078 8.410 7.624 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.667 4.407 6.734 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.038 5.310 7.422 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.029 6.052 6.158 1.00 0.00 H new ATOM 1412 N PRO A 100 -3.134 7.955 11.168 1.00 0.00 N ATOM 1413 CA PRO A 100 -4.234 7.646 12.086 1.00 0.00 C ATOM 1414 C PRO A 100 -5.091 6.485 11.594 1.00 0.00 C ATOM 1415 O PRO A 100 -5.918 6.648 10.698 1.00 0.00 O ATOM 1416 CB PRO A 100 -5.050 8.941 12.110 1.00 0.00 C ATOM 1417 CG PRO A 100 -4.751 9.601 10.808 1.00 0.00 C ATOM 1418 CD PRO A 100 -3.329 9.242 10.479 1.00 0.00 C ATOM 0 HA PRO A 100 -3.872 7.336 13.066 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -6.115 8.736 12.214 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.764 9.574 12.950 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -5.431 9.255 10.030 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -4.874 10.682 10.881 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -3.176 9.149 9.404 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.631 9.999 10.836 1.00 0.00 H new ATOM 1426 N GLY A 101 -4.888 5.313 12.186 1.00 0.00 N ATOM 1427 CA GLY A 101 -5.650 4.141 11.794 1.00 0.00 C ATOM 1428 C GLY A 101 -4.770 2.931 11.554 1.00 0.00 C ATOM 1429 O GLY A 101 -5.266 1.812 11.420 1.00 0.00 O ATOM 0 H GLY A 101 -4.209 5.153 12.931 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.378 3.908 12.571 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.212 4.363 10.887 1.00 0.00 H new ATOM 1433 N SER A 102 -3.461 3.154 11.498 1.00 0.00 N ATOM 1434 CA SER A 102 -2.510 2.073 11.266 1.00 0.00 C ATOM 1435 C SER A 102 -2.042 1.470 12.587 1.00 0.00 C ATOM 1436 O SER A 102 -2.051 2.118 13.633 1.00 0.00 O ATOM 1437 CB SER A 102 -1.308 2.585 10.471 1.00 0.00 C ATOM 1438 OG SER A 102 -1.066 3.956 10.737 1.00 0.00 O ATOM 0 H SER A 102 -3.035 4.074 11.610 1.00 0.00 H new ATOM 0 HA SER A 102 -3.013 1.296 10.690 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.424 2.000 10.726 1.00 0.00 H new ATOM 0 HB3 SER A 102 -1.487 2.444 9.405 1.00 0.00 H new ATOM 0 HG SER A 102 -0.144 4.179 10.491 1.00 0.00 H new ATOM 1444 N PRO A 103 -1.622 0.197 12.539 1.00 0.00 N ATOM 1445 CA PRO A 103 -1.607 -0.585 11.299 1.00 0.00 C ATOM 1446 C PRO A 103 -3.011 -0.928 10.812 1.00 0.00 C ATOM 1447 O PRO A 103 -4.004 -0.507 11.406 1.00 0.00 O ATOM 1448 CB PRO A 103 -0.852 -1.858 11.691 1.00 0.00 C ATOM 1449 CG PRO A 103 -1.059 -1.983 13.161 1.00 0.00 C ATOM 1450 CD PRO A 103 -1.129 -0.577 13.691 1.00 0.00 C ATOM 0 HA PRO A 103 -1.147 -0.036 10.477 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -1.240 -2.728 11.161 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.207 -1.782 11.445 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -1.976 -2.529 13.381 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -0.241 -2.534 13.625 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -1.804 -0.502 14.544 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -0.153 -0.224 14.024 1.00 0.00 H new ATOM 1458 N PHE A 104 -3.086 -1.693 9.729 1.00 0.00 N ATOM 1459 CA PHE A 104 -4.369 -2.092 9.162 1.00 0.00 C ATOM 1460 C PHE A 104 -4.514 -3.611 9.159 1.00 0.00 C ATOM 1461 O PHE A 104 -3.551 -4.338 8.917 1.00 0.00 O ATOM 1462 CB PHE A 104 -4.511 -1.552 7.737 1.00 0.00 C ATOM 1463 CG PHE A 104 -4.517 -0.052 7.662 1.00 0.00 C ATOM 1464 CD1 PHE A 104 -5.607 0.673 8.116 1.00 0.00 C ATOM 1465 CD2 PHE A 104 -3.432 0.633 7.138 1.00 0.00 C ATOM 1466 CE1 PHE A 104 -5.615 2.054 8.049 1.00 0.00 C ATOM 1467 CE2 PHE A 104 -3.435 2.013 7.069 1.00 0.00 C ATOM 1468 CZ PHE A 104 -4.528 2.724 7.523 1.00 0.00 C ATOM 0 H PHE A 104 -2.273 -2.049 9.226 1.00 0.00 H new ATOM 0 HA PHE A 104 -5.159 -1.671 9.783 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -3.692 -1.935 7.129 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -5.435 -1.933 7.303 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.460 0.153 8.527 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -2.575 0.082 6.780 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.470 2.608 8.407 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -2.583 2.535 6.660 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.533 3.803 7.467 1.00 0.00 H new ATOM 1478 N THR A 105 -5.727 -4.084 9.432 1.00 0.00 N ATOM 1479 CA THR A 105 -5.999 -5.515 9.463 1.00 0.00 C ATOM 1480 C THR A 105 -6.821 -5.945 8.253 1.00 0.00 C ATOM 1481 O THR A 105 -8.008 -5.633 8.154 1.00 0.00 O ATOM 1482 CB THR A 105 -6.749 -5.917 10.747 1.00 0.00 C ATOM 1483 OG1 THR A 105 -6.032 -5.456 11.897 1.00 0.00 O ATOM 1484 CG2 THR A 105 -6.923 -7.426 10.823 1.00 0.00 C ATOM 0 H THR A 105 -6.536 -3.496 9.635 1.00 0.00 H new ATOM 0 HA THR A 105 -5.033 -6.020 9.442 1.00 0.00 H new ATOM 0 HB THR A 105 -7.736 -5.455 10.725 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.516 -5.714 12.709 1.00 0.00 H new ATOM 0 HG21 THR A 105 -7.455 -7.685 11.738 1.00 0.00 H new ATOM 0 HG22 THR A 105 -7.494 -7.770 9.961 1.00 0.00 H new ATOM 0 HG23 THR A 105 -5.944 -7.906 10.824 1.00 0.00 H new ATOM 1492 N ALA A 106 -6.183 -6.663 7.334 1.00 0.00 N ATOM 1493 CA ALA A 106 -6.856 -7.137 6.132 1.00 0.00 C ATOM 1494 C ALA A 106 -7.360 -8.565 6.312 1.00 0.00 C ATOM 1495 O ALA A 106 -6.575 -9.490 6.525 1.00 0.00 O ATOM 1496 CB ALA A 106 -5.921 -7.053 4.935 1.00 0.00 C ATOM 0 H ALA A 106 -5.200 -6.929 7.400 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.718 -6.495 5.951 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.437 -7.410 4.044 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.613 -6.018 4.785 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -5.041 -7.670 5.117 1.00 0.00 H new ATOM 1502 N LYS A 107 -8.674 -8.739 6.227 1.00 0.00 N ATOM 1503 CA LYS A 107 -9.284 -10.055 6.380 1.00 0.00 C ATOM 1504 C LYS A 107 -9.187 -10.854 5.084 1.00 0.00 C ATOM 1505 O LYS A 107 -10.157 -10.951 4.331 1.00 0.00 O ATOM 1506 CB LYS A 107 -10.749 -9.915 6.798 1.00 0.00 C ATOM 1507 CG LYS A 107 -10.952 -9.878 8.303 1.00 0.00 C ATOM 1508 CD LYS A 107 -10.447 -8.575 8.901 1.00 0.00 C ATOM 1509 CE LYS A 107 -10.286 -8.681 10.410 1.00 0.00 C ATOM 1510 NZ LYS A 107 -11.601 -8.741 11.106 1.00 0.00 N ATOM 0 H LYS A 107 -9.338 -7.985 6.053 1.00 0.00 H new ATOM 0 HA LYS A 107 -8.741 -10.592 7.158 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -11.157 -9.003 6.362 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -11.317 -10.748 6.384 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -12.011 -9.998 8.531 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -10.430 -10.717 8.762 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.490 -8.313 8.449 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -11.143 -7.770 8.664 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -9.706 -9.572 10.652 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -9.720 -7.824 10.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -11.448 -8.813 12.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -12.144 -7.879 10.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -12.131 -9.573 10.776 1.00 0.00 H new ATOM 1524 N ILE A 108 -8.014 -11.424 4.832 1.00 0.00 N ATOM 1525 CA ILE A 108 -7.793 -12.216 3.628 1.00 0.00 C ATOM 1526 C ILE A 108 -8.171 -13.676 3.854 1.00 0.00 C ATOM 1527 O ILE A 108 -7.973 -14.219 4.942 1.00 0.00 O ATOM 1528 CB ILE A 108 -6.326 -12.142 3.167 1.00 0.00 C ATOM 1529 CG1 ILE A 108 -5.894 -10.683 2.999 1.00 0.00 C ATOM 1530 CG2 ILE A 108 -6.141 -12.908 1.865 1.00 0.00 C ATOM 1531 CD1 ILE A 108 -4.745 -10.501 2.033 1.00 0.00 C ATOM 0 H ILE A 108 -7.202 -11.352 5.445 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.431 -11.794 2.851 1.00 0.00 H new ATOM 0 HB ILE A 108 -5.697 -12.602 3.929 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -6.746 -10.098 2.652 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -5.607 -10.283 3.972 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -5.099 -12.847 1.552 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -6.414 -13.953 2.015 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -6.778 -12.474 1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -4.492 -9.443 1.963 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -3.879 -11.058 2.389 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -5.035 -10.870 1.049 1.00 0.00 H new ATOM 1543 N THR A 109 -8.713 -14.309 2.818 1.00 0.00 N ATOM 1544 CA THR A 109 -9.118 -15.706 2.903 1.00 0.00 C ATOM 1545 C THR A 109 -8.507 -16.525 1.771 1.00 0.00 C ATOM 1546 O THR A 109 -7.726 -16.009 0.971 1.00 0.00 O ATOM 1547 CB THR A 109 -10.650 -15.852 2.857 1.00 0.00 C ATOM 1548 OG1 THR A 109 -11.146 -15.413 1.587 1.00 0.00 O ATOM 1549 CG2 THR A 109 -11.304 -15.044 3.968 1.00 0.00 C ATOM 0 H THR A 109 -8.881 -13.876 1.910 1.00 0.00 H new ATOM 0 HA THR A 109 -8.754 -16.082 3.859 1.00 0.00 H new ATOM 0 HB THR A 109 -10.897 -16.904 3.000 1.00 0.00 H new ATOM 0 HG1 THR A 109 -12.121 -15.511 1.565 1.00 0.00 H new ATOM 0 HG21 THR A 109 -12.386 -15.163 3.915 1.00 0.00 H new ATOM 0 HG22 THR A 109 -10.947 -15.399 4.935 1.00 0.00 H new ATOM 0 HG23 THR A 109 -11.048 -13.991 3.851 1.00 0.00 H new ATOM 1557 N ASP A 110 -8.867 -17.802 1.709 1.00 0.00 N ATOM 1558 CA ASP A 110 -8.356 -18.691 0.673 1.00 0.00 C ATOM 1559 C ASP A 110 -9.475 -19.136 -0.263 1.00 0.00 C ATOM 1560 O ASP A 110 -10.543 -19.555 0.186 1.00 0.00 O ATOM 1561 CB ASP A 110 -7.687 -19.913 1.305 1.00 0.00 C ATOM 1562 CG ASP A 110 -7.673 -21.111 0.376 1.00 0.00 C ATOM 1563 OD1 ASP A 110 -6.791 -21.167 -0.506 1.00 0.00 O ATOM 1564 OD2 ASP A 110 -8.544 -21.992 0.530 1.00 0.00 O ATOM 0 H ASP A 110 -9.511 -18.245 2.364 1.00 0.00 H new ATOM 0 HA ASP A 110 -7.617 -18.142 0.090 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -6.664 -19.660 1.583 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -8.211 -20.176 2.224 1.00 0.00 H new ATOM 1569 N ASP A 111 -9.225 -19.041 -1.564 1.00 0.00 N ATOM 1570 CA ASP A 111 -10.212 -19.433 -2.563 1.00 0.00 C ATOM 1571 C ASP A 111 -9.641 -20.489 -3.505 1.00 0.00 C ATOM 1572 O ASP A 111 -9.313 -20.197 -4.655 1.00 0.00 O ATOM 1573 CB ASP A 111 -10.672 -18.213 -3.363 1.00 0.00 C ATOM 1574 CG ASP A 111 -11.338 -18.596 -4.670 1.00 0.00 C ATOM 1575 OD1 ASP A 111 -12.051 -19.621 -4.695 1.00 0.00 O ATOM 1576 OD2 ASP A 111 -11.146 -17.870 -5.669 1.00 0.00 O ATOM 0 H ASP A 111 -8.347 -18.696 -1.952 1.00 0.00 H new ATOM 0 HA ASP A 111 -11.069 -19.861 -2.043 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -11.368 -17.629 -2.761 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -9.814 -17.573 -3.569 1.00 0.00 H new ATOM 1581 N SER A 112 -9.523 -21.716 -3.009 1.00 0.00 N ATOM 1582 CA SER A 112 -8.987 -22.814 -3.805 1.00 0.00 C ATOM 1583 C SER A 112 -10.089 -23.800 -4.182 1.00 0.00 C ATOM 1584 O SER A 112 -9.990 -24.995 -3.902 1.00 0.00 O ATOM 1585 CB SER A 112 -7.882 -23.538 -3.034 1.00 0.00 C ATOM 1586 OG SER A 112 -8.418 -24.293 -1.961 1.00 0.00 O ATOM 0 H SER A 112 -9.791 -21.975 -2.060 1.00 0.00 H new ATOM 0 HA SER A 112 -8.568 -22.396 -4.720 1.00 0.00 H new ATOM 0 HB2 SER A 112 -7.335 -24.197 -3.709 1.00 0.00 H new ATOM 0 HB3 SER A 112 -7.167 -22.811 -2.649 1.00 0.00 H new ATOM 0 HG SER A 112 -9.085 -24.923 -2.305 1.00 0.00 H new ATOM 1592 N ARG A 113 -11.138 -23.290 -4.819 1.00 0.00 N ATOM 1593 CA ARG A 113 -12.259 -24.124 -5.234 1.00 0.00 C ATOM 1594 C ARG A 113 -11.845 -25.074 -6.353 1.00 0.00 C ATOM 1595 O ARG A 113 -11.719 -24.670 -7.509 1.00 0.00 O ATOM 1596 CB ARG A 113 -13.427 -23.251 -5.697 1.00 0.00 C ATOM 1597 CG ARG A 113 -14.705 -24.032 -5.957 1.00 0.00 C ATOM 1598 CD ARG A 113 -15.221 -24.694 -4.688 1.00 0.00 C ATOM 1599 NE ARG A 113 -14.592 -25.990 -4.452 1.00 0.00 N ATOM 1600 CZ ARG A 113 -14.935 -26.804 -3.461 1.00 0.00 C ATOM 1601 NH1 ARG A 113 -15.899 -26.458 -2.618 1.00 0.00 N ATOM 1602 NH2 ARG A 113 -14.316 -27.968 -3.311 1.00 0.00 N ATOM 0 H ARG A 113 -11.235 -22.303 -5.059 1.00 0.00 H new ATOM 0 HA ARG A 113 -12.575 -24.717 -4.376 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -13.623 -22.491 -4.941 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -13.139 -22.727 -6.609 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -15.467 -23.362 -6.355 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -14.520 -24.792 -6.716 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -15.034 -24.040 -3.836 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -16.301 -24.823 -4.760 1.00 0.00 H new ATOM 0 HE ARG A 113 -13.848 -26.287 -5.083 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -16.379 -25.565 -2.730 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -16.161 -27.085 -1.857 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -13.575 -28.239 -3.958 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -14.581 -28.592 -2.549 1.00 0.00 H new ATOM 1616 N ARG A 114 -11.634 -26.338 -6.002 1.00 0.00 N ATOM 1617 CA ARG A 114 -11.232 -27.346 -6.976 1.00 0.00 C ATOM 1618 C ARG A 114 -11.970 -28.659 -6.736 1.00 0.00 C ATOM 1619 O ARG A 114 -11.909 -29.227 -5.645 1.00 0.00 O ATOM 1620 CB ARG A 114 -9.722 -27.577 -6.909 1.00 0.00 C ATOM 1621 CG ARG A 114 -9.130 -28.119 -8.200 1.00 0.00 C ATOM 1622 CD ARG A 114 -7.679 -28.536 -8.016 1.00 0.00 C ATOM 1623 NE ARG A 114 -6.756 -27.435 -8.277 1.00 0.00 N ATOM 1624 CZ ARG A 114 -6.596 -26.878 -9.473 1.00 0.00 C ATOM 1625 NH1 ARG A 114 -7.295 -27.316 -10.511 1.00 0.00 N ATOM 1626 NH2 ARG A 114 -5.737 -25.880 -9.631 1.00 0.00 N ATOM 0 H ARG A 114 -11.735 -26.689 -5.050 1.00 0.00 H new ATOM 0 HA ARG A 114 -11.492 -26.980 -7.969 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -9.230 -26.637 -6.660 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -9.505 -28.274 -6.099 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -9.715 -28.974 -8.539 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -9.195 -27.359 -8.979 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -7.532 -28.899 -6.999 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -7.452 -29.366 -8.686 1.00 0.00 H new ATOM 0 HE ARG A 114 -6.204 -27.074 -7.499 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -7.958 -28.082 -10.393 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -7.170 -26.887 -11.428 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -5.199 -25.540 -8.834 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -5.615 -25.453 -10.549 1.00 0.00 H new ATOM 1640 N CYS A 115 -12.667 -29.136 -7.762 1.00 0.00 N ATOM 1641 CA CYS A 115 -13.419 -30.382 -7.662 1.00 0.00 C ATOM 1642 C CYS A 115 -12.513 -31.584 -7.909 1.00 0.00 C ATOM 1643 O CYS A 115 -11.517 -31.487 -8.625 1.00 0.00 O ATOM 1644 CB CYS A 115 -14.575 -30.386 -8.663 1.00 0.00 C ATOM 1645 SG CYS A 115 -14.054 -30.340 -10.394 1.00 0.00 S ATOM 0 H CYS A 115 -12.727 -28.679 -8.672 1.00 0.00 H new ATOM 0 HA CYS A 115 -13.822 -30.454 -6.652 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -15.179 -31.279 -8.500 1.00 0.00 H new ATOM 0 HB3 CYS A 115 -15.216 -29.527 -8.465 1.00 0.00 H new ATOM 0 HG CYS A 115 -15.102 -30.349 -11.163 1.00 0.00 H new TER 1651 CYS A 115