USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1072 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 122 GLN : amide:sc= 1.11 K(o=2,f=-3.1!) USER MOD Set 1.2: A 124 THR OG1 : rot -130:sc= 0.932 USER MOD Set 2.1: A 91 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Set 2.2: A 118 THR OG1 : rot -120:sc= 0 USER MOD Set 3.1: A 65 THR OG1 : rot 180:sc= 0.0272 USER MOD Set 3.2: A 68 GLN : amide:sc= -0.0927 K(o=-0.066,f=-2.4) USER MOD Set 4.1: A 15 GLN : amide:sc= 0.921 K(o=0.82,f=-11!) USER MOD Set 4.2: A 57 LYS NZ :NH3+ 159:sc= -0.0995 (180deg=-0.578) USER MOD Set 5.1: A 6 LYS NZ :NH3+ -177:sc= 1.08 (180deg=-0.0995) USER MOD Set 5.2: A 9 SER OG : rot 89:sc= 0.351 USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 159:sc= -0.149 (180deg=-0.654) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A -1 GLY N :NH3+ -120:sc= 0.0756 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 176:sc= 1.22 (180deg=1.18) USER MOD Single : A 18 SER OG : rot 180:sc= -2.52! USER MOD Single : A 23 GLN :FLIP amide:sc= -0.189 F(o=-1.1,f=-0.19) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 1.17 K(o=1.2,f=-0.027) USER MOD Single : A 36 LYS NZ :NH3+ 167:sc= 0.0198 (180deg=0.0042) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 164:sc= 1.23 (180deg=0.805) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0.963 K(o=0.96,f=-1.3!) USER MOD Single : A 66 MET CE :methyl -145:sc= -1.51 (180deg=-2.16!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00914 USER MOD Single : A 71 SER OG : rot 72:sc= 0.663 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 162:sc= 0 (180deg=-0.0609) USER MOD Single : A 82 THR OG1 : rot -41:sc= 0.798 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 1.01 K(o=1,f=-0.31) USER MOD Single : A 92 LYS NZ :NH3+ 170:sc= -0.0155 (180deg=-0.148) USER MOD Single : A 93 SER OG : rot 180:sc= -0.0712 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -167:sc= -0.0379 (180deg=-0.357) USER MOD Single : A 98 SER OG : rot 180:sc=0.000523 USER MOD Single : A 100 THR OG1 : rot -69:sc= -0.375 USER MOD Single : A 101 MET CE :methyl -105:sc= -2.53! (180deg=-4.88!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 TYR OH : rot 42:sc= 1.69 USER MOD Single : A 117 MET CE :methyl -169:sc= -0.698 (180deg=-1.08) USER MOD Single : A 119 TYR OH : rot 162:sc= -2.17! USER MOD Single : A 121 SER OG : rot -91:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -12.898 -12.339 -14.847 1.00 29.36 N ATOM 2 CA GLY A -1 -13.061 -12.471 -16.312 1.00 29.54 C ATOM 3 C GLY A -1 -12.179 -11.502 -17.065 1.00 29.10 C ATOM 4 O GLY A -1 -11.404 -10.763 -16.457 1.00 28.91 O ATOM 0 H1 GLY A -1 -12.568 -13.243 -14.452 1.00 29.36 H new ATOM 0 H2 GLY A -1 -12.200 -11.596 -14.641 1.00 29.36 H new ATOM 0 H3 GLY A -1 -13.811 -12.086 -14.418 1.00 29.36 H new ATOM 0 HA2 GLY A -1 -12.821 -13.491 -16.614 1.00 29.54 H new ATOM 0 HA3 GLY A -1 -14.103 -12.296 -16.579 1.00 29.54 H new ATOM 10 N SER A 0 -12.299 -11.501 -18.382 1.00 28.99 N ATOM 11 CA SER A 0 -11.489 -10.637 -19.222 1.00 28.64 C ATOM 12 C SER A 0 -11.932 -9.185 -19.081 1.00 27.50 C ATOM 13 O SER A 0 -11.112 -8.290 -18.875 1.00 27.11 O ATOM 14 CB SER A 0 -11.588 -11.087 -20.678 1.00 29.29 C ATOM 15 OG SER A 0 -11.370 -12.485 -20.790 1.00 29.85 O ATOM 0 H SER A 0 -12.953 -12.093 -18.894 1.00 28.99 H new ATOM 0 HA SER A 0 -10.450 -10.708 -18.901 1.00 28.64 H new ATOM 0 HB2 SER A 0 -12.571 -10.835 -21.075 1.00 29.29 H new ATOM 0 HB3 SER A 0 -10.854 -10.551 -21.280 1.00 29.29 H new ATOM 0 HG SER A 0 -11.440 -12.753 -21.730 1.00 29.85 H new ATOM 21 N MET A 1 -13.232 -8.956 -19.183 1.00 27.04 N ATOM 22 CA MET A 1 -13.778 -7.616 -19.029 1.00 26.01 C ATOM 23 C MET A 1 -14.284 -7.412 -17.603 1.00 25.09 C ATOM 24 O MET A 1 -14.959 -8.283 -17.050 1.00 25.06 O ATOM 25 CB MET A 1 -14.904 -7.367 -20.043 1.00 26.03 C ATOM 26 CG MET A 1 -16.079 -8.328 -19.928 1.00 26.09 C ATOM 27 SD MET A 1 -17.369 -8.002 -21.149 1.00 26.08 S ATOM 28 CE MET A 1 -16.476 -8.281 -22.676 1.00 26.33 C ATOM 0 H MET A 1 -13.927 -9.678 -19.371 1.00 27.04 H new ATOM 0 HA MET A 1 -12.983 -6.895 -19.222 1.00 26.01 H new ATOM 0 HB2 MET A 1 -15.270 -6.348 -19.918 1.00 26.03 H new ATOM 0 HB3 MET A 1 -14.491 -7.436 -21.050 1.00 26.03 H new ATOM 0 HG2 MET A 1 -15.720 -9.350 -20.049 1.00 26.09 H new ATOM 0 HG3 MET A 1 -16.505 -8.256 -18.927 1.00 26.09 H new ATOM 0 HE1 MET A 1 -17.184 -8.487 -23.479 1.00 26.33 H new ATOM 0 HE2 MET A 1 -15.894 -7.394 -22.924 1.00 26.33 H new ATOM 0 HE3 MET A 1 -15.806 -9.132 -22.555 1.00 26.33 H new ATOM 38 N PRO A 2 -13.936 -6.277 -16.973 1.00 24.39 N ATOM 39 CA PRO A 2 -14.428 -5.938 -15.634 1.00 23.52 C ATOM 40 C PRO A 2 -15.947 -5.785 -15.627 1.00 22.82 C ATOM 41 O PRO A 2 -16.505 -5.067 -16.458 1.00 22.63 O ATOM 42 CB PRO A 2 -13.756 -4.595 -15.322 1.00 23.10 C ATOM 43 CG PRO A 2 -12.609 -4.502 -16.268 1.00 23.69 C ATOM 44 CD PRO A 2 -13.031 -5.244 -17.503 1.00 24.48 C ATOM 0 HA PRO A 2 -14.198 -6.712 -14.901 1.00 23.52 H new ATOM 0 HB2 PRO A 2 -14.450 -3.766 -15.462 1.00 23.10 H new ATOM 0 HB3 PRO A 2 -13.417 -4.556 -14.287 1.00 23.10 H new ATOM 0 HG2 PRO A 2 -12.376 -3.462 -16.498 1.00 23.69 H new ATOM 0 HG3 PRO A 2 -11.710 -4.942 -15.836 1.00 23.69 H new ATOM 0 HD2 PRO A 2 -13.536 -4.590 -18.214 1.00 24.48 H new ATOM 0 HD3 PRO A 2 -12.179 -5.682 -18.022 1.00 24.48 H new ATOM 52 N PRO A 3 -16.633 -6.458 -14.691 1.00 22.54 N ATOM 53 CA PRO A 3 -18.098 -6.468 -14.643 1.00 21.97 C ATOM 54 C PRO A 3 -18.685 -5.074 -14.412 1.00 21.06 C ATOM 55 O PRO A 3 -18.439 -4.443 -13.384 1.00 20.64 O ATOM 56 CB PRO A 3 -18.417 -7.390 -13.459 1.00 21.96 C ATOM 57 CG PRO A 3 -17.170 -7.434 -12.644 1.00 22.48 C ATOM 58 CD PRO A 3 -16.036 -7.261 -13.612 1.00 22.87 C ATOM 0 HA PRO A 3 -18.530 -6.804 -15.586 1.00 21.97 H new ATOM 0 HB2 PRO A 3 -19.254 -7.005 -12.876 1.00 21.96 H new ATOM 0 HB3 PRO A 3 -18.698 -8.386 -13.801 1.00 21.96 H new ATOM 0 HG2 PRO A 3 -17.166 -6.643 -11.894 1.00 22.48 H new ATOM 0 HG3 PRO A 3 -17.086 -8.381 -12.110 1.00 22.48 H new ATOM 0 HD2 PRO A 3 -15.189 -6.752 -13.153 1.00 22.87 H new ATOM 0 HD3 PRO A 3 -15.670 -8.220 -13.979 1.00 22.87 H new ATOM 66 N PRO A 4 -19.491 -4.586 -15.371 1.00 20.84 N ATOM 67 CA PRO A 4 -20.104 -3.258 -15.293 1.00 20.09 C ATOM 68 C PRO A 4 -21.303 -3.214 -14.349 1.00 19.53 C ATOM 69 O PRO A 4 -21.762 -2.140 -13.958 1.00 19.27 O ATOM 70 CB PRO A 4 -20.544 -2.992 -16.732 1.00 20.21 C ATOM 71 CG PRO A 4 -20.805 -4.343 -17.302 1.00 21.02 C ATOM 72 CD PRO A 4 -19.841 -5.282 -16.625 1.00 21.43 C ATOM 0 HA PRO A 4 -19.413 -2.515 -14.895 1.00 20.09 H new ATOM 0 HB2 PRO A 4 -21.438 -2.369 -16.764 1.00 20.21 H new ATOM 0 HB3 PRO A 4 -19.770 -2.468 -17.293 1.00 20.21 H new ATOM 0 HG2 PRO A 4 -21.836 -4.648 -17.122 1.00 21.02 H new ATOM 0 HG3 PRO A 4 -20.656 -4.345 -18.382 1.00 21.02 H new ATOM 0 HD2 PRO A 4 -20.298 -6.252 -16.430 1.00 21.43 H new ATOM 0 HD3 PRO A 4 -18.960 -5.463 -17.241 1.00 21.43 H new ATOM 80 N GLN A 5 -21.810 -4.386 -13.985 1.00 19.48 N ATOM 81 CA GLN A 5 -22.930 -4.475 -13.058 1.00 19.08 C ATOM 82 C GLN A 5 -22.415 -4.447 -11.620 1.00 18.23 C ATOM 83 O GLN A 5 -23.185 -4.336 -10.662 1.00 17.82 O ATOM 84 CB GLN A 5 -23.735 -5.750 -13.318 1.00 19.59 C ATOM 85 CG GLN A 5 -25.017 -5.846 -12.508 1.00 19.61 C ATOM 86 CD GLN A 5 -25.717 -7.175 -12.683 1.00 20.26 C ATOM 87 OE1 GLN A 5 -26.563 -7.334 -13.564 1.00 20.54 O ATOM 88 NE2 GLN A 5 -25.368 -8.142 -11.850 1.00 20.60 N ATOM 0 H GLN A 5 -21.464 -5.286 -14.317 1.00 19.48 H new ATOM 0 HA GLN A 5 -23.588 -3.620 -13.211 1.00 19.08 H new ATOM 0 HB2 GLN A 5 -23.982 -5.802 -14.378 1.00 19.59 H new ATOM 0 HB3 GLN A 5 -23.110 -6.614 -13.094 1.00 19.59 H new ATOM 0 HG2 GLN A 5 -24.788 -5.696 -11.453 1.00 19.61 H new ATOM 0 HG3 GLN A 5 -25.691 -5.043 -12.805 1.00 19.61 H new ATOM 0 HE21 GLN A 5 -24.663 -7.968 -11.134 1.00 20.60 H new ATOM 0 HE22 GLN A 5 -25.804 -9.061 -11.924 1.00 20.60 H new ATOM 97 N LYS A 6 -21.102 -4.539 -11.481 1.00 18.08 N ATOM 98 CA LYS A 6 -20.460 -4.489 -10.180 1.00 17.42 C ATOM 99 C LYS A 6 -19.881 -3.095 -9.954 1.00 16.78 C ATOM 100 O LYS A 6 -18.671 -2.879 -10.040 1.00 16.87 O ATOM 101 CB LYS A 6 -19.376 -5.568 -10.091 1.00 17.87 C ATOM 102 CG LYS A 6 -18.669 -5.643 -8.746 1.00 18.15 C ATOM 103 CD LYS A 6 -17.768 -6.866 -8.663 1.00 18.50 C ATOM 104 CE LYS A 6 -16.933 -6.861 -7.393 1.00 18.81 C ATOM 105 NZ LYS A 6 -15.877 -5.814 -7.423 1.00 18.97 N ATOM 0 H LYS A 6 -20.456 -4.650 -12.262 1.00 18.08 H new ATOM 0 HA LYS A 6 -21.192 -4.687 -9.397 1.00 17.42 H new ATOM 0 HB2 LYS A 6 -19.827 -6.537 -10.304 1.00 17.87 H new ATOM 0 HB3 LYS A 6 -18.634 -5.384 -10.868 1.00 17.87 H new ATOM 0 HG2 LYS A 6 -18.076 -4.741 -8.593 1.00 18.15 H new ATOM 0 HG3 LYS A 6 -19.408 -5.678 -7.946 1.00 18.15 H new ATOM 0 HD2 LYS A 6 -18.377 -7.770 -8.695 1.00 18.50 H new ATOM 0 HD3 LYS A 6 -17.110 -6.893 -9.532 1.00 18.50 H new ATOM 0 HE2 LYS A 6 -17.582 -6.696 -6.533 1.00 18.81 H new ATOM 0 HE3 LYS A 6 -16.470 -7.839 -7.260 1.00 18.81 H new ATOM 0 HZ1 LYS A 6 -15.299 -5.879 -6.561 1.00 18.97 H new ATOM 0 HZ2 LYS A 6 -15.272 -5.955 -8.257 1.00 18.97 H new ATOM 0 HZ3 LYS A 6 -16.321 -4.875 -7.472 1.00 18.97 H new ATOM 119 N ILE A 7 -20.767 -2.144 -9.690 1.00 16.28 N ATOM 120 CA ILE A 7 -20.373 -0.752 -9.494 1.00 15.80 C ATOM 121 C ILE A 7 -19.670 -0.541 -8.144 1.00 15.32 C ATOM 122 O ILE A 7 -18.614 0.092 -8.103 1.00 15.18 O ATOM 123 CB ILE A 7 -21.573 0.231 -9.611 1.00 15.71 C ATOM 124 CG1 ILE A 7 -22.242 0.138 -10.989 1.00 16.07 C ATOM 125 CG2 ILE A 7 -21.119 1.661 -9.355 1.00 15.48 C ATOM 126 CD1 ILE A 7 -23.233 -0.998 -11.121 1.00 16.36 C ATOM 0 H ILE A 7 -21.770 -2.311 -9.606 1.00 16.28 H new ATOM 0 HA ILE A 7 -19.671 -0.531 -10.298 1.00 15.80 H new ATOM 0 HB ILE A 7 -22.305 -0.054 -8.855 1.00 15.71 H new ATOM 0 HG12 ILE A 7 -22.754 1.078 -11.196 1.00 16.07 H new ATOM 0 HG13 ILE A 7 -21.469 0.021 -11.749 1.00 16.07 H new ATOM 0 HG21 ILE A 7 -21.972 2.334 -9.441 1.00 15.48 H new ATOM 0 HG22 ILE A 7 -20.698 1.735 -8.352 1.00 15.48 H new ATOM 0 HG23 ILE A 7 -20.362 1.939 -10.088 1.00 15.48 H new ATOM 0 HD11 ILE A 7 -23.660 -0.993 -12.124 1.00 16.36 H new ATOM 0 HD12 ILE A 7 -22.725 -1.946 -10.948 1.00 16.36 H new ATOM 0 HD13 ILE A 7 -24.029 -0.874 -10.387 1.00 16.36 H new ATOM 138 N PRO A 8 -20.221 -1.059 -7.016 1.00 15.19 N ATOM 139 CA PRO A 8 -19.612 -0.884 -5.691 1.00 14.91 C ATOM 140 C PRO A 8 -18.362 -1.743 -5.505 1.00 14.32 C ATOM 141 O PRO A 8 -18.332 -2.653 -4.677 1.00 14.51 O ATOM 142 CB PRO A 8 -20.712 -1.326 -4.711 1.00 15.11 C ATOM 143 CG PRO A 8 -21.943 -1.506 -5.533 1.00 15.30 C ATOM 144 CD PRO A 8 -21.469 -1.830 -6.916 1.00 15.48 C ATOM 0 HA PRO A 8 -19.281 0.143 -5.539 1.00 14.91 H new ATOM 0 HB2 PRO A 8 -20.438 -2.254 -4.209 1.00 15.11 H new ATOM 0 HB3 PRO A 8 -20.867 -0.577 -3.934 1.00 15.11 H new ATOM 0 HG2 PRO A 8 -22.565 -2.308 -5.135 1.00 15.30 H new ATOM 0 HG3 PRO A 8 -22.550 -0.601 -5.530 1.00 15.30 H new ATOM 0 HD2 PRO A 8 -21.297 -2.898 -7.046 1.00 15.48 H new ATOM 0 HD3 PRO A 8 -22.193 -1.530 -7.673 1.00 15.48 H new ATOM 152 N SER A 9 -17.336 -1.454 -6.287 1.00 13.73 N ATOM 153 CA SER A 9 -16.071 -2.159 -6.185 1.00 13.20 C ATOM 154 C SER A 9 -15.071 -1.337 -5.378 1.00 12.19 C ATOM 155 O SER A 9 -14.136 -0.753 -5.929 1.00 11.80 O ATOM 156 CB SER A 9 -15.527 -2.456 -7.582 1.00 13.42 C ATOM 157 OG SER A 9 -16.415 -3.299 -8.299 1.00 13.76 O ATOM 0 H SER A 9 -17.356 -0.730 -7.005 1.00 13.73 H new ATOM 0 HA SER A 9 -16.231 -3.104 -5.666 1.00 13.20 H new ATOM 0 HB2 SER A 9 -15.384 -1.523 -8.127 1.00 13.42 H new ATOM 0 HB3 SER A 9 -14.550 -2.932 -7.503 1.00 13.42 H new ATOM 0 HG SER A 9 -17.066 -2.751 -8.785 1.00 13.76 H new ATOM 163 N VAL A 10 -15.279 -1.298 -4.070 1.00 11.94 N ATOM 164 CA VAL A 10 -14.435 -0.514 -3.184 1.00 11.10 C ATOM 165 C VAL A 10 -13.210 -1.317 -2.760 1.00 10.38 C ATOM 166 O VAL A 10 -13.304 -2.233 -1.938 1.00 10.56 O ATOM 167 CB VAL A 10 -15.207 -0.063 -1.924 1.00 11.34 C ATOM 168 CG1 VAL A 10 -14.351 0.856 -1.066 1.00 11.49 C ATOM 169 CG2 VAL A 10 -16.510 0.624 -2.307 1.00 11.93 C ATOM 0 H VAL A 10 -16.029 -1.803 -3.598 1.00 11.94 H new ATOM 0 HA VAL A 10 -14.118 0.370 -3.737 1.00 11.10 H new ATOM 0 HB VAL A 10 -15.447 -0.951 -1.339 1.00 11.34 H new ATOM 0 HG11 VAL A 10 -14.915 1.161 -0.185 1.00 11.49 H new ATOM 0 HG12 VAL A 10 -13.449 0.328 -0.755 1.00 11.49 H new ATOM 0 HG13 VAL A 10 -14.074 1.739 -1.643 1.00 11.49 H new ATOM 0 HG21 VAL A 10 -17.037 0.933 -1.405 1.00 11.93 H new ATOM 0 HG22 VAL A 10 -16.293 1.500 -2.919 1.00 11.93 H new ATOM 0 HG23 VAL A 10 -17.134 -0.068 -2.872 1.00 11.93 H new ATOM 179 N ARG A 11 -12.066 -0.987 -3.344 1.00 9.76 N ATOM 180 CA ARG A 11 -10.809 -1.629 -2.976 1.00 9.19 C ATOM 181 C ARG A 11 -10.262 -1.088 -1.648 1.00 8.44 C ATOM 182 O ARG A 11 -9.829 -1.875 -0.804 1.00 8.32 O ATOM 183 CB ARG A 11 -9.758 -1.475 -4.079 1.00 9.37 C ATOM 184 CG ARG A 11 -10.173 -2.061 -5.414 1.00 9.61 C ATOM 185 CD ARG A 11 -9.042 -1.970 -6.421 1.00 10.18 C ATOM 186 NE ARG A 11 -9.440 -2.441 -7.746 1.00 10.69 N ATOM 187 CZ ARG A 11 -8.668 -3.192 -8.533 1.00 11.43 C ATOM 188 NH1 ARG A 11 -7.489 -3.626 -8.096 1.00 11.75 N ATOM 189 NH2 ARG A 11 -9.083 -3.526 -9.749 1.00 12.04 N ATOM 0 H ARG A 11 -11.981 -0.279 -4.074 1.00 9.76 H new ATOM 0 HA ARG A 11 -11.024 -2.690 -2.849 1.00 9.19 H new ATOM 0 HB2 ARG A 11 -9.538 -0.416 -4.212 1.00 9.37 H new ATOM 0 HB3 ARG A 11 -8.834 -1.954 -3.755 1.00 9.37 H new ATOM 0 HG2 ARG A 11 -10.466 -3.103 -5.283 1.00 9.61 H new ATOM 0 HG3 ARG A 11 -11.046 -1.530 -5.793 1.00 9.61 H new ATOM 0 HD2 ARG A 11 -8.704 -0.936 -6.492 1.00 10.18 H new ATOM 0 HD3 ARG A 11 -8.196 -2.559 -6.068 1.00 10.18 H new ATOM 0 HE ARG A 11 -10.364 -2.180 -8.090 1.00 10.69 H new ATOM 0 HH11 ARG A 11 -7.173 -3.385 -7.157 1.00 11.75 H new ATOM 0 HH12 ARG A 11 -6.901 -4.200 -8.700 1.00 11.75 H new ATOM 0 HH21 ARG A 11 -9.993 -3.208 -10.082 1.00 12.04 H new ATOM 0 HH22 ARG A 11 -8.492 -4.100 -10.350 1.00 12.04 H new ATOM 203 N PRO A 12 -10.241 0.252 -1.435 1.00 8.19 N ATOM 204 CA PRO A 12 -9.783 0.829 -0.169 1.00 7.75 C ATOM 205 C PRO A 12 -10.789 0.616 0.956 1.00 6.80 C ATOM 206 O PRO A 12 -11.798 1.318 1.051 1.00 6.68 O ATOM 207 CB PRO A 12 -9.624 2.326 -0.470 1.00 8.08 C ATOM 208 CG PRO A 12 -9.745 2.451 -1.950 1.00 8.79 C ATOM 209 CD PRO A 12 -10.617 1.313 -2.382 1.00 8.66 C ATOM 0 HA PRO A 12 -8.860 0.360 0.173 1.00 7.75 H new ATOM 0 HB2 PRO A 12 -10.391 2.912 0.037 1.00 8.08 H new ATOM 0 HB3 PRO A 12 -8.659 2.696 -0.123 1.00 8.08 H new ATOM 0 HG2 PRO A 12 -10.185 3.409 -2.227 1.00 8.79 H new ATOM 0 HG3 PRO A 12 -8.767 2.399 -2.429 1.00 8.79 H new ATOM 0 HD2 PRO A 12 -11.676 1.563 -2.313 1.00 8.66 H new ATOM 0 HD3 PRO A 12 -10.425 1.023 -3.415 1.00 8.66 H new ATOM 217 N PHE A 13 -10.503 -0.355 1.807 1.00 6.42 N ATOM 218 CA PHE A 13 -11.384 -0.688 2.914 1.00 5.76 C ATOM 219 C PHE A 13 -11.287 0.366 4.010 1.00 4.90 C ATOM 220 O PHE A 13 -10.196 0.855 4.309 1.00 4.75 O ATOM 221 CB PHE A 13 -11.025 -2.063 3.479 1.00 6.03 C ATOM 222 CG PHE A 13 -10.920 -3.135 2.432 1.00 7.08 C ATOM 223 CD1 PHE A 13 -12.042 -3.553 1.733 1.00 7.73 C ATOM 224 CD2 PHE A 13 -9.699 -3.723 2.144 1.00 7.67 C ATOM 225 CE1 PHE A 13 -11.946 -4.538 0.769 1.00 8.84 C ATOM 226 CE2 PHE A 13 -9.599 -4.709 1.182 1.00 8.79 C ATOM 227 CZ PHE A 13 -10.723 -5.116 0.494 1.00 9.33 C ATOM 0 H PHE A 13 -9.662 -0.930 1.752 1.00 6.42 H new ATOM 0 HA PHE A 13 -12.409 -0.713 2.543 1.00 5.76 H new ATOM 0 HB2 PHE A 13 -10.076 -1.992 4.010 1.00 6.03 H new ATOM 0 HB3 PHE A 13 -11.779 -2.354 4.211 1.00 6.03 H new ATOM 0 HD1 PHE A 13 -13.001 -3.104 1.944 1.00 7.73 H new ATOM 0 HD2 PHE A 13 -8.815 -3.407 2.678 1.00 7.67 H new ATOM 0 HE1 PHE A 13 -12.827 -4.855 0.231 1.00 8.84 H new ATOM 0 HE2 PHE A 13 -8.642 -5.161 0.969 1.00 8.79 H new ATOM 0 HZ PHE A 13 -10.646 -5.886 -0.259 1.00 9.33 H new ATOM 237 N LYS A 14 -12.435 0.714 4.588 1.00 4.79 N ATOM 238 CA LYS A 14 -12.506 1.676 5.689 1.00 4.42 C ATOM 239 C LYS A 14 -11.926 3.030 5.283 1.00 3.77 C ATOM 240 O LYS A 14 -11.250 3.693 6.073 1.00 4.11 O ATOM 241 CB LYS A 14 -11.780 1.148 6.938 1.00 5.56 C ATOM 242 CG LYS A 14 -12.515 0.037 7.681 1.00 6.23 C ATOM 243 CD LYS A 14 -12.520 -1.277 6.913 1.00 6.88 C ATOM 244 CE LYS A 14 -13.229 -2.372 7.691 1.00 7.76 C ATOM 245 NZ LYS A 14 -13.308 -3.642 6.924 1.00 8.26 N ATOM 0 H LYS A 14 -13.341 0.339 4.308 1.00 4.79 H new ATOM 0 HA LYS A 14 -13.561 1.810 5.930 1.00 4.42 H new ATOM 0 HB2 LYS A 14 -10.798 0.780 6.642 1.00 5.56 H new ATOM 0 HB3 LYS A 14 -11.616 1.979 7.624 1.00 5.56 H new ATOM 0 HG2 LYS A 14 -12.047 -0.116 8.653 1.00 6.23 H new ATOM 0 HG3 LYS A 14 -13.543 0.348 7.868 1.00 6.23 H new ATOM 0 HD2 LYS A 14 -13.012 -1.136 5.951 1.00 6.88 H new ATOM 0 HD3 LYS A 14 -11.495 -1.582 6.705 1.00 6.88 H new ATOM 0 HE2 LYS A 14 -12.703 -2.548 8.629 1.00 7.76 H new ATOM 0 HE3 LYS A 14 -14.235 -2.041 7.947 1.00 7.76 H new ATOM 0 HZ1 LYS A 14 -13.799 -4.361 7.493 1.00 8.26 H new ATOM 0 HZ2 LYS A 14 -13.832 -3.482 6.040 1.00 8.26 H new ATOM 0 HZ3 LYS A 14 -12.348 -3.973 6.701 1.00 8.26 H new ATOM 259 N GLN A 15 -12.200 3.444 4.056 1.00 3.29 N ATOM 260 CA GLN A 15 -11.693 4.713 3.556 1.00 3.10 C ATOM 261 C GLN A 15 -12.785 5.462 2.808 1.00 2.14 C ATOM 262 O GLN A 15 -13.536 4.865 2.038 1.00 2.46 O ATOM 263 CB GLN A 15 -10.493 4.486 2.634 1.00 3.83 C ATOM 264 CG GLN A 15 -9.823 5.774 2.178 1.00 4.82 C ATOM 265 CD GLN A 15 -8.761 5.540 1.123 1.00 5.82 C ATOM 266 OE1 GLN A 15 -7.592 5.321 1.436 1.00 6.53 O ATOM 267 NE2 GLN A 15 -9.155 5.596 -0.138 1.00 6.14 N ATOM 0 H GLN A 15 -12.769 2.922 3.389 1.00 3.29 H new ATOM 0 HA GLN A 15 -11.373 5.312 4.408 1.00 3.10 H new ATOM 0 HB2 GLN A 15 -9.759 3.868 3.152 1.00 3.83 H new ATOM 0 HB3 GLN A 15 -10.820 3.926 1.758 1.00 3.83 H new ATOM 0 HG2 GLN A 15 -10.579 6.451 1.782 1.00 4.82 H new ATOM 0 HG3 GLN A 15 -9.372 6.268 3.038 1.00 4.82 H new ATOM 0 HE21 GLN A 15 -10.134 5.780 -0.359 1.00 6.14 H new ATOM 0 HE22 GLN A 15 -8.480 5.455 -0.890 1.00 6.14 H new ATOM 276 N ARG A 16 -12.884 6.762 3.054 1.00 1.86 N ATOM 277 CA ARG A 16 -13.827 7.611 2.338 1.00 1.88 C ATOM 278 C ARG A 16 -13.090 8.725 1.612 1.00 1.53 C ATOM 279 O ARG A 16 -13.411 9.904 1.755 1.00 1.61 O ATOM 280 CB ARG A 16 -14.873 8.197 3.291 1.00 2.83 C ATOM 281 CG ARG A 16 -15.889 7.183 3.801 1.00 3.53 C ATOM 282 CD ARG A 16 -16.771 6.643 2.680 1.00 4.61 C ATOM 283 NE ARG A 16 -16.038 5.775 1.758 1.00 5.06 N ATOM 284 CZ ARG A 16 -16.434 5.485 0.520 1.00 6.06 C ATOM 285 NH1 ARG A 16 -17.575 5.973 0.045 1.00 6.69 N ATOM 286 NH2 ARG A 16 -15.682 4.700 -0.244 1.00 6.68 N ATOM 0 H ARG A 16 -12.320 7.253 3.747 1.00 1.86 H new ATOM 0 HA ARG A 16 -14.346 6.996 1.603 1.00 1.88 H new ATOM 0 HB2 ARG A 16 -14.362 8.643 4.144 1.00 2.83 H new ATOM 0 HB3 ARG A 16 -15.403 9.001 2.781 1.00 2.83 H new ATOM 0 HG2 ARG A 16 -15.366 6.356 4.281 1.00 3.53 H new ATOM 0 HG3 ARG A 16 -16.515 7.649 4.562 1.00 3.53 H new ATOM 0 HD2 ARG A 16 -17.603 6.088 3.113 1.00 4.61 H new ATOM 0 HD3 ARG A 16 -17.199 7.478 2.125 1.00 4.61 H new ATOM 0 HE ARG A 16 -15.164 5.364 2.086 1.00 5.06 H new ATOM 0 HH11 ARG A 16 -18.155 6.575 0.630 1.00 6.69 H new ATOM 0 HH12 ARG A 16 -17.871 5.746 -0.904 1.00 6.69 H new ATOM 0 HH21 ARG A 16 -14.806 4.323 0.118 1.00 6.68 H new ATOM 0 HH22 ARG A 16 -15.980 4.475 -1.193 1.00 6.68 H new ATOM 300 N LYS A 17 -12.092 8.338 0.835 1.00 1.34 N ATOM 301 CA LYS A 17 -11.305 9.284 0.066 1.00 1.09 C ATOM 302 C LYS A 17 -11.306 8.878 -1.399 1.00 1.00 C ATOM 303 O LYS A 17 -10.922 7.757 -1.737 1.00 1.08 O ATOM 304 CB LYS A 17 -9.868 9.336 0.597 1.00 1.13 C ATOM 305 CG LYS A 17 -9.772 9.740 2.059 1.00 1.70 C ATOM 306 CD LYS A 17 -8.350 9.630 2.582 1.00 2.23 C ATOM 307 CE LYS A 17 -8.274 9.944 4.070 1.00 3.20 C ATOM 308 NZ LYS A 17 -8.593 11.368 4.364 1.00 3.96 N ATOM 0 H LYS A 17 -11.807 7.365 0.721 1.00 1.34 H new ATOM 0 HA LYS A 17 -11.747 10.276 0.164 1.00 1.09 H new ATOM 0 HB2 LYS A 17 -9.407 8.357 0.469 1.00 1.13 H new ATOM 0 HB3 LYS A 17 -9.293 10.040 -0.004 1.00 1.13 H new ATOM 0 HG2 LYS A 17 -10.124 10.765 2.177 1.00 1.70 H new ATOM 0 HG3 LYS A 17 -10.429 9.106 2.655 1.00 1.70 H new ATOM 0 HD2 LYS A 17 -7.973 8.623 2.402 1.00 2.23 H new ATOM 0 HD3 LYS A 17 -7.705 10.315 2.032 1.00 2.23 H new ATOM 0 HE2 LYS A 17 -8.967 9.300 4.611 1.00 3.20 H new ATOM 0 HE3 LYS A 17 -7.273 9.715 4.437 1.00 3.20 H new ATOM 0 HZ1 LYS A 17 -8.595 11.518 5.393 1.00 3.96 H new ATOM 0 HZ2 LYS A 17 -7.877 11.982 3.926 1.00 3.96 H new ATOM 0 HZ3 LYS A 17 -9.531 11.600 3.979 1.00 3.96 H new ATOM 322 N SER A 18 -11.740 9.784 -2.262 1.00 0.92 N ATOM 323 CA SER A 18 -11.809 9.508 -3.685 1.00 0.91 C ATOM 324 C SER A 18 -10.431 9.628 -4.316 1.00 0.80 C ATOM 325 O SER A 18 -9.440 9.840 -3.615 1.00 0.72 O ATOM 326 CB SER A 18 -12.776 10.479 -4.362 1.00 0.97 C ATOM 327 OG SER A 18 -12.338 11.818 -4.201 1.00 0.91 O ATOM 0 H SER A 18 -12.050 10.719 -1.998 1.00 0.92 H new ATOM 0 HA SER A 18 -12.171 8.489 -3.823 1.00 0.91 H new ATOM 0 HB2 SER A 18 -12.854 10.242 -5.423 1.00 0.97 H new ATOM 0 HB3 SER A 18 -13.773 10.364 -3.936 1.00 0.97 H new ATOM 0 HG SER A 18 -12.969 12.424 -4.643 1.00 0.91 H new ATOM 333 N LEU A 19 -10.369 9.510 -5.631 1.00 0.83 N ATOM 334 CA LEU A 19 -9.118 9.663 -6.352 1.00 0.79 C ATOM 335 C LEU A 19 -8.561 11.059 -6.110 1.00 0.74 C ATOM 336 O LEU A 19 -7.389 11.235 -5.771 1.00 0.66 O ATOM 337 CB LEU A 19 -9.355 9.438 -7.846 1.00 0.91 C ATOM 338 CG LEU A 19 -8.194 9.823 -8.760 1.00 0.95 C ATOM 339 CD1 LEU A 19 -6.986 8.938 -8.505 1.00 0.91 C ATOM 340 CD2 LEU A 19 -8.617 9.742 -10.216 1.00 1.11 C ATOM 0 H LEU A 19 -11.175 9.308 -6.223 1.00 0.83 H new ATOM 0 HA LEU A 19 -8.397 8.927 -5.996 1.00 0.79 H new ATOM 0 HB2 LEU A 19 -9.586 8.385 -8.005 1.00 0.91 H new ATOM 0 HB3 LEU A 19 -10.235 10.006 -8.146 1.00 0.91 H new ATOM 0 HG LEU A 19 -7.912 10.852 -8.537 1.00 0.95 H new ATOM 0 HD11 LEU A 19 -6.173 9.232 -9.168 1.00 0.91 H new ATOM 0 HD12 LEU A 19 -6.667 9.048 -7.469 1.00 0.91 H new ATOM 0 HD13 LEU A 19 -7.251 7.898 -8.695 1.00 0.91 H new ATOM 0 HD21 LEU A 19 -7.778 10.019 -10.855 1.00 1.11 H new ATOM 0 HD22 LEU A 19 -8.929 8.724 -10.448 1.00 1.11 H new ATOM 0 HD23 LEU A 19 -9.448 10.425 -10.392 1.00 1.11 H new ATOM 352 N ALA A 20 -9.432 12.040 -6.262 1.00 0.80 N ATOM 353 CA ALA A 20 -9.081 13.429 -6.047 1.00 0.81 C ATOM 354 C ALA A 20 -8.746 13.703 -4.585 1.00 0.72 C ATOM 355 O ALA A 20 -7.797 14.426 -4.289 1.00 0.71 O ATOM 356 CB ALA A 20 -10.215 14.322 -6.510 1.00 0.94 C ATOM 0 H ALA A 20 -10.403 11.894 -6.538 1.00 0.80 H new ATOM 0 HA ALA A 20 -8.188 13.649 -6.632 1.00 0.81 H new ATOM 0 HB1 ALA A 20 -9.946 15.366 -6.346 1.00 0.94 H new ATOM 0 HB2 ALA A 20 -10.398 14.157 -7.572 1.00 0.94 H new ATOM 0 HB3 ALA A 20 -11.117 14.087 -5.945 1.00 0.94 H new ATOM 362 N ILE A 21 -9.514 13.120 -3.669 1.00 0.71 N ATOM 363 CA ILE A 21 -9.254 13.328 -2.250 1.00 0.69 C ATOM 364 C ILE A 21 -7.949 12.652 -1.843 1.00 0.56 C ATOM 365 O ILE A 21 -7.255 13.111 -0.938 1.00 0.53 O ATOM 366 CB ILE A 21 -10.399 12.813 -1.352 1.00 0.82 C ATOM 367 CG1 ILE A 21 -11.730 13.464 -1.740 1.00 0.97 C ATOM 368 CG2 ILE A 21 -10.077 13.099 0.106 1.00 0.88 C ATOM 369 CD1 ILE A 21 -11.709 14.978 -1.703 1.00 1.64 C ATOM 0 H ILE A 21 -10.306 12.512 -3.878 1.00 0.71 H new ATOM 0 HA ILE A 21 -9.179 14.405 -2.104 1.00 0.69 H new ATOM 0 HB ILE A 21 -10.495 11.736 -1.493 1.00 0.82 H new ATOM 0 HG12 ILE A 21 -12.003 13.139 -2.744 1.00 0.97 H new ATOM 0 HG13 ILE A 21 -12.508 13.105 -1.067 1.00 0.97 H new ATOM 0 HG21 ILE A 21 -10.888 12.734 0.736 1.00 0.88 H new ATOM 0 HG22 ILE A 21 -9.150 12.595 0.379 1.00 0.88 H new ATOM 0 HG23 ILE A 21 -9.962 14.173 0.249 1.00 0.88 H new ATOM 0 HD11 ILE A 21 -12.688 15.363 -1.990 1.00 1.64 H new ATOM 0 HD12 ILE A 21 -11.469 15.314 -0.694 1.00 1.64 H new ATOM 0 HD13 ILE A 21 -10.955 15.349 -2.398 1.00 1.64 H new ATOM 381 N ARG A 22 -7.611 11.566 -2.524 1.00 0.52 N ATOM 382 CA ARG A 22 -6.339 10.899 -2.294 1.00 0.44 C ATOM 383 C ARG A 22 -5.208 11.829 -2.669 1.00 0.40 C ATOM 384 O ARG A 22 -4.244 11.972 -1.924 1.00 0.39 O ATOM 385 CB ARG A 22 -6.238 9.605 -3.098 1.00 0.45 C ATOM 386 CG ARG A 22 -6.714 8.370 -2.353 1.00 0.71 C ATOM 387 CD ARG A 22 -5.751 8.001 -1.237 1.00 1.22 C ATOM 388 NE ARG A 22 -6.039 6.685 -0.668 1.00 1.53 N ATOM 389 CZ ARG A 22 -5.467 5.554 -1.089 1.00 2.00 C ATOM 390 NH1 ARG A 22 -4.590 5.576 -2.084 1.00 2.59 N ATOM 391 NH2 ARG A 22 -5.777 4.400 -0.509 1.00 2.26 N ATOM 0 H ARG A 22 -8.197 11.131 -3.236 1.00 0.52 H new ATOM 0 HA ARG A 22 -6.271 10.643 -1.237 1.00 0.44 H new ATOM 0 HB2 ARG A 22 -6.822 9.712 -4.012 1.00 0.45 H new ATOM 0 HB3 ARG A 22 -5.201 9.457 -3.398 1.00 0.45 H new ATOM 0 HG2 ARG A 22 -7.705 8.551 -1.937 1.00 0.71 H new ATOM 0 HG3 ARG A 22 -6.808 7.535 -3.048 1.00 0.71 H new ATOM 0 HD2 ARG A 22 -4.731 8.013 -1.621 1.00 1.22 H new ATOM 0 HD3 ARG A 22 -5.804 8.754 -0.451 1.00 1.22 H new ATOM 0 HE ARG A 22 -6.715 6.628 0.094 1.00 1.53 H new ATOM 0 HH11 ARG A 22 -4.349 6.460 -2.532 1.00 2.59 H new ATOM 0 HH12 ARG A 22 -4.157 4.709 -2.401 1.00 2.59 H new ATOM 0 HH21 ARG A 22 -6.451 4.379 0.256 1.00 2.26 H new ATOM 0 HH22 ARG A 22 -5.341 3.535 -0.829 1.00 2.26 H new ATOM 405 N GLN A 23 -5.361 12.492 -3.805 1.00 0.46 N ATOM 406 CA GLN A 23 -4.377 13.455 -4.261 1.00 0.51 C ATOM 407 C GLN A 23 -4.236 14.579 -3.241 1.00 0.50 C ATOM 408 O GLN A 23 -3.144 15.097 -3.025 1.00 0.52 O ATOM 409 CB GLN A 23 -4.777 14.027 -5.623 1.00 0.68 C ATOM 410 CG GLN A 23 -3.668 14.825 -6.291 1.00 1.29 C ATOM 411 CD GLN A 23 -2.460 13.972 -6.628 1.00 1.51 C ATOM 412 OE1 GLN A 23 -2.693 12.714 -6.969 1.00 2.16 O flip ATOM 413 NE2 GLN A 23 -1.324 14.443 -6.599 1.00 1.97 N flip ATOM 0 H GLN A 23 -6.161 12.379 -4.428 1.00 0.46 H new ATOM 0 HA GLN A 23 -3.418 12.949 -4.367 1.00 0.51 H new ATOM 0 HB2 GLN A 23 -5.072 13.209 -6.280 1.00 0.68 H new ATOM 0 HB3 GLN A 23 -5.651 14.667 -5.498 1.00 0.68 H new ATOM 0 HG2 GLN A 23 -4.052 15.281 -7.203 1.00 1.29 H new ATOM 0 HG3 GLN A 23 -3.362 15.638 -5.632 1.00 1.29 H new ATOM 0 HE21 GLN A 23 -1.182 15.417 -6.331 1.00 1.97 H new ATOM 0 HE22 GLN A 23 -0.524 13.860 -6.843 1.00 1.97 H new ATOM 422 N GLU A 24 -5.347 14.932 -2.596 1.00 0.53 N ATOM 423 CA GLU A 24 -5.353 15.984 -1.589 1.00 0.59 C ATOM 424 C GLU A 24 -4.693 15.484 -0.307 1.00 0.55 C ATOM 425 O GLU A 24 -4.027 16.239 0.402 1.00 0.54 O ATOM 426 CB GLU A 24 -6.785 16.418 -1.301 1.00 0.71 C ATOM 427 CG GLU A 24 -6.898 17.713 -0.517 1.00 1.20 C ATOM 428 CD GLU A 24 -6.277 18.881 -1.248 1.00 2.01 C ATOM 429 OE1 GLU A 24 -6.890 19.382 -2.216 1.00 2.49 O ATOM 430 OE2 GLU A 24 -5.170 19.304 -0.858 1.00 2.83 O ATOM 0 H GLU A 24 -6.257 14.500 -2.756 1.00 0.53 H new ATOM 0 HA GLU A 24 -4.791 16.839 -1.966 1.00 0.59 H new ATOM 0 HB2 GLU A 24 -7.315 16.532 -2.247 1.00 0.71 H new ATOM 0 HB3 GLU A 24 -7.288 15.626 -0.747 1.00 0.71 H new ATOM 0 HG2 GLU A 24 -7.949 17.927 -0.322 1.00 1.20 H new ATOM 0 HG3 GLU A 24 -6.412 17.593 0.451 1.00 1.20 H new ATOM 437 N GLU A 25 -4.894 14.206 -0.011 1.00 0.56 N ATOM 438 CA GLU A 25 -4.281 13.584 1.150 1.00 0.56 C ATOM 439 C GLU A 25 -2.772 13.575 0.975 1.00 0.49 C ATOM 440 O GLU A 25 -2.032 13.996 1.866 1.00 0.50 O ATOM 441 CB GLU A 25 -4.797 12.152 1.313 1.00 0.62 C ATOM 442 CG GLU A 25 -4.513 11.542 2.676 1.00 1.29 C ATOM 443 CD GLU A 25 -5.192 12.293 3.803 1.00 1.57 C ATOM 444 OE1 GLU A 25 -6.381 12.645 3.657 1.00 1.87 O ATOM 445 OE2 GLU A 25 -4.546 12.525 4.848 1.00 2.30 O ATOM 0 H GLU A 25 -5.480 13.580 -0.563 1.00 0.56 H new ATOM 0 HA GLU A 25 -4.540 14.152 2.044 1.00 0.56 H new ATOM 0 HB2 GLU A 25 -5.873 12.143 1.140 1.00 0.62 H new ATOM 0 HB3 GLU A 25 -4.345 11.525 0.545 1.00 0.62 H new ATOM 0 HG2 GLU A 25 -4.847 10.505 2.682 1.00 1.29 H new ATOM 0 HG3 GLU A 25 -3.437 11.531 2.848 1.00 1.29 H new ATOM 452 N VAL A 26 -2.331 13.129 -0.198 1.00 0.44 N ATOM 453 CA VAL A 26 -0.912 13.148 -0.546 1.00 0.42 C ATOM 454 C VAL A 26 -0.399 14.583 -0.553 1.00 0.44 C ATOM 455 O VAL A 26 0.704 14.860 -0.081 1.00 0.46 O ATOM 456 CB VAL A 26 -0.641 12.515 -1.928 1.00 0.43 C ATOM 457 CG1 VAL A 26 0.842 12.270 -2.127 1.00 1.21 C ATOM 458 CG2 VAL A 26 -1.403 11.220 -2.094 1.00 0.85 C ATOM 0 H VAL A 26 -2.937 12.749 -0.925 1.00 0.44 H new ATOM 0 HA VAL A 26 -0.390 12.558 0.207 1.00 0.42 H new ATOM 0 HB VAL A 26 -0.987 13.219 -2.685 1.00 0.43 H new ATOM 0 HG11 VAL A 26 1.009 11.824 -3.107 1.00 1.21 H new ATOM 0 HG12 VAL A 26 1.379 13.216 -2.063 1.00 1.21 H new ATOM 0 HG13 VAL A 26 1.206 11.593 -1.354 1.00 1.21 H new ATOM 0 HG21 VAL A 26 -1.193 10.797 -3.076 1.00 0.85 H new ATOM 0 HG22 VAL A 26 -1.095 10.515 -1.322 1.00 0.85 H new ATOM 0 HG23 VAL A 26 -2.472 11.413 -2.003 1.00 0.85 H new ATOM 468 N ALA A 27 -1.223 15.488 -1.078 1.00 0.46 N ATOM 469 CA ALA A 27 -0.904 16.909 -1.120 1.00 0.51 C ATOM 470 C ALA A 27 -0.585 17.430 0.276 1.00 0.54 C ATOM 471 O ALA A 27 0.419 18.112 0.480 1.00 0.59 O ATOM 472 CB ALA A 27 -2.072 17.688 -1.717 1.00 0.55 C ATOM 0 H ALA A 27 -2.129 15.255 -1.485 1.00 0.46 H new ATOM 0 HA ALA A 27 -0.024 17.048 -1.748 1.00 0.51 H new ATOM 0 HB1 ALA A 27 -1.825 18.749 -1.745 1.00 0.55 H new ATOM 0 HB2 ALA A 27 -2.266 17.334 -2.730 1.00 0.55 H new ATOM 0 HB3 ALA A 27 -2.961 17.538 -1.104 1.00 0.55 H new ATOM 478 N GLY A 28 -1.435 17.080 1.231 1.00 0.54 N ATOM 479 CA GLY A 28 -1.231 17.497 2.603 1.00 0.59 C ATOM 480 C GLY A 28 -0.020 16.840 3.233 1.00 0.58 C ATOM 481 O GLY A 28 0.815 17.516 3.831 1.00 0.65 O ATOM 0 H GLY A 28 -2.268 16.511 1.078 1.00 0.54 H new ATOM 0 HA2 GLY A 28 -1.112 18.580 2.637 1.00 0.59 H new ATOM 0 HA3 GLY A 28 -2.118 17.255 3.189 1.00 0.59 H new ATOM 485 N ILE A 29 0.080 15.525 3.085 1.00 0.52 N ATOM 486 CA ILE A 29 1.183 14.764 3.669 1.00 0.53 C ATOM 487 C ILE A 29 2.526 15.260 3.154 1.00 0.53 C ATOM 488 O ILE A 29 3.422 15.568 3.934 1.00 0.58 O ATOM 489 CB ILE A 29 1.060 13.254 3.356 1.00 0.51 C ATOM 490 CG1 ILE A 29 -0.249 12.693 3.907 1.00 0.53 C ATOM 491 CG2 ILE A 29 2.246 12.487 3.932 1.00 0.57 C ATOM 492 CD1 ILE A 29 -0.586 11.314 3.381 1.00 0.53 C ATOM 0 H ILE A 29 -0.590 14.960 2.564 1.00 0.52 H new ATOM 0 HA ILE A 29 1.127 14.912 4.747 1.00 0.53 H new ATOM 0 HB ILE A 29 1.060 13.132 2.273 1.00 0.51 H new ATOM 0 HG12 ILE A 29 -0.188 12.653 4.995 1.00 0.53 H new ATOM 0 HG13 ILE A 29 -1.061 13.376 3.658 1.00 0.53 H new ATOM 0 HG21 ILE A 29 2.141 11.427 3.701 1.00 0.57 H new ATOM 0 HG22 ILE A 29 3.170 12.864 3.494 1.00 0.57 H new ATOM 0 HG23 ILE A 29 2.276 12.622 5.013 1.00 0.57 H new ATOM 0 HD11 ILE A 29 -1.528 10.979 3.815 1.00 0.53 H new ATOM 0 HD12 ILE A 29 -0.679 11.351 2.296 1.00 0.53 H new ATOM 0 HD13 ILE A 29 0.207 10.617 3.653 1.00 0.53 H new ATOM 504 N ARG A 30 2.647 15.357 1.841 1.00 0.53 N ATOM 505 CA ARG A 30 3.917 15.690 1.213 1.00 0.59 C ATOM 506 C ARG A 30 4.298 17.149 1.469 1.00 0.67 C ATOM 507 O ARG A 30 5.480 17.500 1.460 1.00 0.74 O ATOM 508 CB ARG A 30 3.844 15.408 -0.288 1.00 0.66 C ATOM 509 CG ARG A 30 5.194 15.426 -0.981 1.00 1.04 C ATOM 510 CD ARG A 30 6.143 14.402 -0.379 1.00 1.50 C ATOM 511 NE ARG A 30 7.386 14.309 -1.134 1.00 1.96 N ATOM 512 CZ ARG A 30 8.292 13.353 -0.972 1.00 2.66 C ATOM 513 NH1 ARG A 30 8.138 12.430 -0.026 1.00 3.06 N ATOM 514 NH2 ARG A 30 9.371 13.334 -1.741 1.00 3.31 N ATOM 0 H ARG A 30 1.879 15.210 1.186 1.00 0.53 H new ATOM 0 HA ARG A 30 4.693 15.065 1.655 1.00 0.59 H new ATOM 0 HB2 ARG A 30 3.379 14.434 -0.443 1.00 0.66 H new ATOM 0 HB3 ARG A 30 3.196 16.149 -0.756 1.00 0.66 H new ATOM 0 HG2 ARG A 30 5.062 15.221 -2.043 1.00 1.04 H new ATOM 0 HG3 ARG A 30 5.632 16.421 -0.901 1.00 1.04 H new ATOM 0 HD2 ARG A 30 6.364 14.673 0.653 1.00 1.50 H new ATOM 0 HD3 ARG A 30 5.658 13.426 -0.355 1.00 1.50 H new ATOM 0 HE ARG A 30 7.572 15.027 -1.834 1.00 1.96 H new ATOM 0 HH11 ARG A 30 7.319 12.454 0.581 1.00 3.06 H new ATOM 0 HH12 ARG A 30 8.839 11.699 0.092 1.00 3.06 H new ATOM 0 HH21 ARG A 30 9.502 14.052 -2.453 1.00 3.31 H new ATOM 0 HH22 ARG A 30 10.070 12.601 -1.620 1.00 3.31 H new ATOM 528 N ALA A 31 3.299 17.992 1.702 1.00 0.69 N ATOM 529 CA ALA A 31 3.551 19.396 1.991 1.00 0.81 C ATOM 530 C ALA A 31 3.952 19.592 3.447 1.00 0.80 C ATOM 531 O ALA A 31 4.809 20.421 3.757 1.00 0.90 O ATOM 532 CB ALA A 31 2.332 20.242 1.664 1.00 0.91 C ATOM 0 H ALA A 31 2.314 17.729 1.696 1.00 0.69 H new ATOM 0 HA ALA A 31 4.379 19.721 1.361 1.00 0.81 H new ATOM 0 HB1 ALA A 31 2.544 21.287 1.888 1.00 0.91 H new ATOM 0 HB2 ALA A 31 2.091 20.139 0.606 1.00 0.91 H new ATOM 0 HB3 ALA A 31 1.485 19.907 2.263 1.00 0.91 H new ATOM 538 N LYS A 32 3.339 18.827 4.342 1.00 0.71 N ATOM 539 CA LYS A 32 3.607 18.976 5.764 1.00 0.74 C ATOM 540 C LYS A 32 4.829 18.168 6.175 1.00 0.67 C ATOM 541 O LYS A 32 5.509 18.507 7.144 1.00 0.67 O ATOM 542 CB LYS A 32 2.390 18.550 6.587 1.00 0.78 C ATOM 543 CG LYS A 32 1.166 19.424 6.357 1.00 1.55 C ATOM 544 CD LYS A 32 -0.003 19.004 7.237 1.00 1.87 C ATOM 545 CE LYS A 32 -0.487 17.600 6.906 1.00 2.30 C ATOM 546 NZ LYS A 32 -1.661 17.208 7.732 1.00 3.00 N ATOM 0 H LYS A 32 2.659 18.103 4.110 1.00 0.71 H new ATOM 0 HA LYS A 32 3.811 20.029 5.960 1.00 0.74 H new ATOM 0 HB2 LYS A 32 2.140 17.517 6.344 1.00 0.78 H new ATOM 0 HB3 LYS A 32 2.650 18.574 7.645 1.00 0.78 H new ATOM 0 HG2 LYS A 32 1.419 20.464 6.561 1.00 1.55 H new ATOM 0 HG3 LYS A 32 0.871 19.367 5.309 1.00 1.55 H new ATOM 0 HD2 LYS A 32 0.297 19.047 8.284 1.00 1.87 H new ATOM 0 HD3 LYS A 32 -0.824 19.710 7.111 1.00 1.87 H new ATOM 0 HE2 LYS A 32 -0.752 17.547 5.850 1.00 2.30 H new ATOM 0 HE3 LYS A 32 0.324 16.889 7.067 1.00 2.30 H new ATOM 0 HZ1 LYS A 32 -1.960 16.245 7.476 1.00 3.00 H new ATOM 0 HZ2 LYS A 32 -1.401 17.234 8.739 1.00 3.00 H new ATOM 0 HZ3 LYS A 32 -2.444 17.871 7.560 1.00 3.00 H new ATOM 560 N PHE A 33 5.095 17.099 5.438 1.00 0.62 N ATOM 561 CA PHE A 33 6.205 16.209 5.740 1.00 0.56 C ATOM 562 C PHE A 33 6.940 15.827 4.456 1.00 0.50 C ATOM 563 O PHE A 33 6.642 14.799 3.847 1.00 0.47 O ATOM 564 CB PHE A 33 5.695 14.946 6.440 1.00 0.56 C ATOM 565 CG PHE A 33 4.852 15.221 7.651 1.00 0.68 C ATOM 566 CD1 PHE A 33 5.435 15.619 8.842 1.00 1.42 C ATOM 567 CD2 PHE A 33 3.474 15.082 7.597 1.00 1.21 C ATOM 568 CE1 PHE A 33 4.662 15.873 9.956 1.00 1.49 C ATOM 569 CE2 PHE A 33 2.695 15.335 8.707 1.00 1.30 C ATOM 570 CZ PHE A 33 3.290 15.732 9.888 1.00 0.93 C ATOM 0 H PHE A 33 4.551 16.826 4.619 1.00 0.62 H new ATOM 0 HA PHE A 33 6.896 16.729 6.404 1.00 0.56 H new ATOM 0 HB2 PHE A 33 5.113 14.359 5.730 1.00 0.56 H new ATOM 0 HB3 PHE A 33 6.549 14.336 6.734 1.00 0.56 H new ATOM 0 HD1 PHE A 33 6.508 15.732 8.900 1.00 1.42 H new ATOM 0 HD2 PHE A 33 3.005 14.772 6.675 1.00 1.21 H new ATOM 0 HE1 PHE A 33 5.129 16.182 10.880 1.00 1.49 H new ATOM 0 HE2 PHE A 33 1.622 15.223 8.652 1.00 1.30 H new ATOM 0 HZ PHE A 33 2.683 15.932 10.758 1.00 0.93 H new ATOM 580 N PRO A 34 7.914 16.647 4.029 1.00 0.55 N ATOM 581 CA PRO A 34 8.638 16.434 2.768 1.00 0.55 C ATOM 582 C PRO A 34 9.428 15.127 2.748 1.00 0.48 C ATOM 583 O PRO A 34 9.623 14.525 1.693 1.00 0.52 O ATOM 584 CB PRO A 34 9.587 17.632 2.686 1.00 0.68 C ATOM 585 CG PRO A 34 9.718 18.121 4.086 1.00 0.74 C ATOM 586 CD PRO A 34 8.396 17.844 4.742 1.00 0.66 C ATOM 0 HA PRO A 34 7.951 16.357 1.925 1.00 0.55 H new ATOM 0 HB2 PRO A 34 10.555 17.341 2.278 1.00 0.68 H new ATOM 0 HB3 PRO A 34 9.187 18.408 2.033 1.00 0.68 H new ATOM 0 HG2 PRO A 34 10.527 17.608 4.605 1.00 0.74 H new ATOM 0 HG3 PRO A 34 9.950 19.186 4.108 1.00 0.74 H new ATOM 0 HD2 PRO A 34 8.507 17.659 5.811 1.00 0.66 H new ATOM 0 HD3 PRO A 34 7.708 18.683 4.633 1.00 0.66 H new ATOM 594 N ASN A 35 9.874 14.689 3.913 1.00 0.44 N ATOM 595 CA ASN A 35 10.670 13.471 4.017 1.00 0.44 C ATOM 596 C ASN A 35 9.780 12.244 4.128 1.00 0.38 C ATOM 597 O ASN A 35 10.251 11.117 4.010 1.00 0.43 O ATOM 598 CB ASN A 35 11.604 13.539 5.225 1.00 0.54 C ATOM 599 CG ASN A 35 12.770 14.481 5.001 1.00 1.32 C ATOM 600 OD1 ASN A 35 12.647 15.694 5.171 1.00 2.16 O ATOM 601 ND2 ASN A 35 13.918 13.931 4.639 1.00 1.83 N ATOM 0 H ASN A 35 9.700 15.157 4.803 1.00 0.44 H new ATOM 0 HA ASN A 35 11.267 13.388 3.109 1.00 0.44 H new ATOM 0 HB2 ASN A 35 11.040 13.865 6.099 1.00 0.54 H new ATOM 0 HB3 ASN A 35 11.984 12.541 5.444 1.00 0.54 H new ATOM 0 HD21 ASN A 35 14.740 14.517 4.491 1.00 1.83 H new ATOM 0 HD22 ASN A 35 13.981 12.921 4.508 1.00 1.83 H new ATOM 608 N LYS A 36 8.494 12.472 4.343 1.00 0.36 N ATOM 609 CA LYS A 36 7.552 11.382 4.548 1.00 0.40 C ATOM 610 C LYS A 36 6.904 10.963 3.232 1.00 0.36 C ATOM 611 O LYS A 36 6.618 11.793 2.364 1.00 0.56 O ATOM 612 CB LYS A 36 6.487 11.794 5.553 1.00 0.54 C ATOM 613 CG LYS A 36 5.665 10.637 6.093 1.00 0.89 C ATOM 614 CD LYS A 36 4.679 11.116 7.143 1.00 1.58 C ATOM 615 CE LYS A 36 5.393 11.647 8.377 1.00 1.56 C ATOM 616 NZ LYS A 36 4.441 12.074 9.437 1.00 2.03 N ATOM 0 H LYS A 36 8.078 13.403 4.380 1.00 0.36 H new ATOM 0 HA LYS A 36 8.100 10.526 4.942 1.00 0.40 H new ATOM 0 HB2 LYS A 36 6.968 12.305 6.387 1.00 0.54 H new ATOM 0 HB3 LYS A 36 5.817 12.513 5.082 1.00 0.54 H new ATOM 0 HG2 LYS A 36 5.127 10.156 5.276 1.00 0.89 H new ATOM 0 HG3 LYS A 36 6.327 9.886 6.525 1.00 0.89 H new ATOM 0 HD2 LYS A 36 4.048 11.899 6.721 1.00 1.58 H new ATOM 0 HD3 LYS A 36 4.021 10.295 7.427 1.00 1.58 H new ATOM 0 HE2 LYS A 36 6.053 10.875 8.773 1.00 1.56 H new ATOM 0 HE3 LYS A 36 6.023 12.491 8.095 1.00 1.56 H new ATOM 0 HZ1 LYS A 36 4.956 12.219 10.329 1.00 2.03 H new ATOM 0 HZ2 LYS A 36 3.982 12.964 9.154 1.00 2.03 H new ATOM 0 HZ3 LYS A 36 3.718 11.339 9.571 1.00 2.03 H new ATOM 630 N ILE A 37 6.699 9.667 3.093 1.00 0.26 N ATOM 631 CA ILE A 37 6.088 9.091 1.908 1.00 0.27 C ATOM 632 C ILE A 37 4.945 8.163 2.308 1.00 0.24 C ATOM 633 O ILE A 37 5.136 7.241 3.101 1.00 0.26 O ATOM 634 CB ILE A 37 7.125 8.293 1.089 1.00 0.37 C ATOM 635 CG1 ILE A 37 8.266 9.211 0.643 1.00 0.42 C ATOM 636 CG2 ILE A 37 6.468 7.627 -0.112 1.00 0.45 C ATOM 637 CD1 ILE A 37 9.439 8.474 0.034 1.00 0.58 C ATOM 0 H ILE A 37 6.953 8.979 3.802 1.00 0.26 H new ATOM 0 HA ILE A 37 5.704 9.906 1.295 1.00 0.27 H new ATOM 0 HB ILE A 37 7.538 7.509 1.724 1.00 0.37 H new ATOM 0 HG12 ILE A 37 7.881 9.927 -0.084 1.00 0.42 H new ATOM 0 HG13 ILE A 37 8.615 9.785 1.501 1.00 0.42 H new ATOM 0 HG21 ILE A 37 7.218 7.070 -0.675 1.00 0.45 H new ATOM 0 HG22 ILE A 37 5.690 6.944 0.231 1.00 0.45 H new ATOM 0 HG23 ILE A 37 6.025 8.389 -0.753 1.00 0.45 H new ATOM 0 HD11 ILE A 37 10.207 9.190 -0.257 1.00 0.58 H new ATOM 0 HD12 ILE A 37 9.851 7.778 0.765 1.00 0.58 H new ATOM 0 HD13 ILE A 37 9.105 7.922 -0.845 1.00 0.58 H new ATOM 649 N PRO A 38 3.736 8.419 1.792 1.00 0.27 N ATOM 650 CA PRO A 38 2.576 7.570 2.049 1.00 0.30 C ATOM 651 C PRO A 38 2.539 6.345 1.132 1.00 0.25 C ATOM 652 O PRO A 38 2.403 6.468 -0.089 1.00 0.26 O ATOM 653 CB PRO A 38 1.401 8.499 1.759 1.00 0.44 C ATOM 654 CG PRO A 38 1.907 9.474 0.746 1.00 0.53 C ATOM 655 CD PRO A 38 3.402 9.569 0.931 1.00 0.36 C ATOM 0 HA PRO A 38 2.576 7.162 3.060 1.00 0.30 H new ATOM 0 HB2 PRO A 38 0.546 7.943 1.376 1.00 0.44 H new ATOM 0 HB3 PRO A 38 1.070 9.009 2.664 1.00 0.44 H new ATOM 0 HG2 PRO A 38 1.664 9.142 -0.263 1.00 0.53 H new ATOM 0 HG3 PRO A 38 1.439 10.449 0.882 1.00 0.53 H new ATOM 0 HD2 PRO A 38 3.925 9.516 -0.024 1.00 0.36 H new ATOM 0 HD3 PRO A 38 3.686 10.512 1.399 1.00 0.36 H new ATOM 663 N VAL A 39 2.665 5.166 1.721 1.00 0.23 N ATOM 664 CA VAL A 39 2.664 3.933 0.951 1.00 0.22 C ATOM 665 C VAL A 39 1.485 3.037 1.342 1.00 0.22 C ATOM 666 O VAL A 39 1.118 2.943 2.516 1.00 0.25 O ATOM 667 CB VAL A 39 4.000 3.166 1.116 1.00 0.25 C ATOM 668 CG1 VAL A 39 4.249 2.797 2.570 1.00 1.39 C ATOM 669 CG2 VAL A 39 4.028 1.926 0.241 1.00 1.28 C ATOM 0 H VAL A 39 2.769 5.037 2.728 1.00 0.23 H new ATOM 0 HA VAL A 39 2.554 4.206 -0.099 1.00 0.22 H new ATOM 0 HB VAL A 39 4.801 3.831 0.794 1.00 0.25 H new ATOM 0 HG11 VAL A 39 5.194 2.260 2.652 1.00 1.39 H new ATOM 0 HG12 VAL A 39 4.293 3.704 3.173 1.00 1.39 H new ATOM 0 HG13 VAL A 39 3.439 2.162 2.928 1.00 1.39 H new ATOM 0 HG21 VAL A 39 4.977 1.407 0.376 1.00 1.28 H new ATOM 0 HG22 VAL A 39 3.209 1.264 0.522 1.00 1.28 H new ATOM 0 HG23 VAL A 39 3.919 2.216 -0.804 1.00 1.28 H new ATOM 679 N VAL A 40 0.884 2.410 0.340 1.00 0.26 N ATOM 680 CA VAL A 40 -0.206 1.469 0.546 1.00 0.28 C ATOM 681 C VAL A 40 0.284 0.047 0.312 1.00 0.28 C ATOM 682 O VAL A 40 0.771 -0.277 -0.769 1.00 0.34 O ATOM 683 CB VAL A 40 -1.395 1.747 -0.406 1.00 0.33 C ATOM 684 CG1 VAL A 40 -2.501 0.722 -0.201 1.00 0.38 C ATOM 685 CG2 VAL A 40 -1.926 3.156 -0.204 1.00 0.40 C ATOM 0 H VAL A 40 1.139 2.540 -0.639 1.00 0.26 H new ATOM 0 HA VAL A 40 -0.548 1.591 1.574 1.00 0.28 H new ATOM 0 HB VAL A 40 -1.037 1.661 -1.432 1.00 0.33 H new ATOM 0 HG11 VAL A 40 -3.326 0.936 -0.880 1.00 0.38 H new ATOM 0 HG12 VAL A 40 -2.114 -0.276 -0.404 1.00 0.38 H new ATOM 0 HG13 VAL A 40 -2.856 0.771 0.828 1.00 0.38 H new ATOM 0 HG21 VAL A 40 -2.761 3.331 -0.882 1.00 0.40 H new ATOM 0 HG22 VAL A 40 -2.264 3.273 0.826 1.00 0.40 H new ATOM 0 HG23 VAL A 40 -1.134 3.876 -0.410 1.00 0.40 H new ATOM 695 N VAL A 41 0.164 -0.793 1.327 1.00 0.30 N ATOM 696 CA VAL A 41 0.569 -2.182 1.208 1.00 0.32 C ATOM 697 C VAL A 41 -0.615 -3.095 1.496 1.00 0.44 C ATOM 698 O VAL A 41 -1.079 -3.179 2.635 1.00 0.64 O ATOM 699 CB VAL A 41 1.724 -2.532 2.175 1.00 0.47 C ATOM 700 CG1 VAL A 41 2.278 -3.916 1.870 1.00 0.50 C ATOM 701 CG2 VAL A 41 2.826 -1.485 2.113 1.00 1.03 C ATOM 0 H VAL A 41 -0.210 -0.537 2.241 1.00 0.30 H new ATOM 0 HA VAL A 41 0.922 -2.331 0.187 1.00 0.32 H new ATOM 0 HB VAL A 41 1.324 -2.538 3.189 1.00 0.47 H new ATOM 0 HG11 VAL A 41 3.090 -4.143 2.561 1.00 0.50 H new ATOM 0 HG12 VAL A 41 1.487 -4.657 1.983 1.00 0.50 H new ATOM 0 HG13 VAL A 41 2.655 -3.940 0.847 1.00 0.50 H new ATOM 0 HG21 VAL A 41 3.625 -1.756 2.803 1.00 1.03 H new ATOM 0 HG22 VAL A 41 3.223 -1.435 1.099 1.00 1.03 H new ATOM 0 HG23 VAL A 41 2.420 -0.513 2.392 1.00 1.03 H new ATOM 711 N GLU A 42 -1.109 -3.770 0.471 1.00 0.44 N ATOM 712 CA GLU A 42 -2.233 -4.675 0.640 1.00 0.64 C ATOM 713 C GLU A 42 -1.975 -5.991 -0.079 1.00 0.47 C ATOM 714 O GLU A 42 -1.086 -6.088 -0.931 1.00 0.36 O ATOM 715 CB GLU A 42 -3.543 -4.036 0.160 1.00 0.94 C ATOM 716 CG GLU A 42 -3.547 -3.611 -1.300 1.00 1.44 C ATOM 717 CD GLU A 42 -4.904 -3.099 -1.737 1.00 1.67 C ATOM 718 OE1 GLU A 42 -5.771 -3.926 -2.088 1.00 1.86 O ATOM 719 OE2 GLU A 42 -5.121 -1.868 -1.726 1.00 2.43 O ATOM 0 H GLU A 42 -0.751 -3.709 -0.482 1.00 0.44 H new ATOM 0 HA GLU A 42 -2.339 -4.881 1.705 1.00 0.64 H new ATOM 0 HB2 GLU A 42 -4.356 -4.744 0.320 1.00 0.94 H new ATOM 0 HB3 GLU A 42 -3.753 -3.163 0.779 1.00 0.94 H new ATOM 0 HG2 GLU A 42 -2.799 -2.833 -1.453 1.00 1.44 H new ATOM 0 HG3 GLU A 42 -3.260 -4.457 -1.925 1.00 1.44 H new ATOM 726 N ARG A 43 -2.742 -7.006 0.289 1.00 0.54 N ATOM 727 CA ARG A 43 -2.530 -8.349 -0.226 1.00 0.47 C ATOM 728 C ARG A 43 -3.012 -8.467 -1.661 1.00 0.50 C ATOM 729 O ARG A 43 -3.934 -7.767 -2.085 1.00 0.60 O ATOM 730 CB ARG A 43 -3.260 -9.383 0.632 1.00 0.64 C ATOM 731 CG ARG A 43 -2.904 -9.332 2.107 1.00 1.11 C ATOM 732 CD ARG A 43 -3.614 -10.429 2.880 1.00 1.08 C ATOM 733 NE ARG A 43 -5.069 -10.354 2.731 1.00 1.40 N ATOM 734 CZ ARG A 43 -5.899 -11.367 2.981 1.00 1.48 C ATOM 735 NH1 ARG A 43 -5.427 -12.538 3.390 1.00 1.49 N ATOM 736 NH2 ARG A 43 -7.207 -11.210 2.821 1.00 2.32 N ATOM 0 H ARG A 43 -3.519 -6.924 0.945 1.00 0.54 H new ATOM 0 HA ARG A 43 -1.458 -8.543 -0.192 1.00 0.47 H new ATOM 0 HB2 ARG A 43 -4.334 -9.235 0.524 1.00 0.64 H new ATOM 0 HB3 ARG A 43 -3.036 -10.379 0.250 1.00 0.64 H new ATOM 0 HG2 ARG A 43 -1.826 -9.437 2.228 1.00 1.11 H new ATOM 0 HG3 ARG A 43 -3.177 -8.359 2.517 1.00 1.11 H new ATOM 0 HD2 ARG A 43 -3.264 -11.401 2.533 1.00 1.08 H new ATOM 0 HD3 ARG A 43 -3.354 -10.355 3.936 1.00 1.08 H new ATOM 0 HE ARG A 43 -5.473 -9.472 2.416 1.00 1.40 H new ATOM 0 HH11 ARG A 43 -4.423 -12.668 3.515 1.00 1.49 H new ATOM 0 HH12 ARG A 43 -6.068 -13.308 3.579 1.00 1.49 H new ATOM 0 HH21 ARG A 43 -7.578 -10.314 2.506 1.00 2.32 H new ATOM 0 HH22 ARG A 43 -7.841 -11.986 3.013 1.00 2.32 H new ATOM 750 N TYR A 44 -2.370 -9.361 -2.395 1.00 0.51 N ATOM 751 CA TYR A 44 -2.780 -9.692 -3.748 1.00 0.65 C ATOM 752 C TYR A 44 -4.231 -10.168 -3.728 1.00 0.80 C ATOM 753 O TYR A 44 -4.622 -10.944 -2.860 1.00 0.91 O ATOM 754 CB TYR A 44 -1.863 -10.792 -4.289 1.00 0.80 C ATOM 755 CG TYR A 44 -1.831 -10.877 -5.792 1.00 0.93 C ATOM 756 CD1 TYR A 44 -1.106 -9.954 -6.528 1.00 1.45 C ATOM 757 CD2 TYR A 44 -2.521 -11.869 -6.474 1.00 1.61 C ATOM 758 CE1 TYR A 44 -1.065 -10.010 -7.902 1.00 1.53 C ATOM 759 CE2 TYR A 44 -2.487 -11.936 -7.853 1.00 1.74 C ATOM 760 CZ TYR A 44 -1.758 -11.004 -8.565 1.00 1.23 C ATOM 761 OH TYR A 44 -1.722 -11.068 -9.940 1.00 1.40 O ATOM 0 H TYR A 44 -1.552 -9.876 -2.070 1.00 0.51 H new ATOM 0 HA TYR A 44 -2.705 -8.817 -4.393 1.00 0.65 H new ATOM 0 HB2 TYR A 44 -0.851 -10.620 -3.923 1.00 0.80 H new ATOM 0 HB3 TYR A 44 -2.188 -11.752 -3.888 1.00 0.80 H new ATOM 0 HD1 TYR A 44 -0.563 -9.176 -6.013 1.00 1.45 H new ATOM 0 HD2 TYR A 44 -3.092 -12.598 -5.919 1.00 1.61 H new ATOM 0 HE1 TYR A 44 -0.495 -9.281 -8.459 1.00 1.53 H new ATOM 0 HE2 TYR A 44 -3.028 -12.713 -8.372 1.00 1.74 H new ATOM 0 HH TYR A 44 -2.261 -11.827 -10.246 1.00 1.40 H new ATOM 771 N PRO A 45 -5.053 -9.678 -4.675 1.00 0.96 N ATOM 772 CA PRO A 45 -6.503 -9.943 -4.714 1.00 1.22 C ATOM 773 C PRO A 45 -6.857 -11.429 -4.699 1.00 1.26 C ATOM 774 O PRO A 45 -7.923 -11.809 -4.218 1.00 1.48 O ATOM 775 CB PRO A 45 -6.961 -9.304 -6.034 1.00 1.41 C ATOM 776 CG PRO A 45 -5.710 -9.045 -6.804 1.00 1.32 C ATOM 777 CD PRO A 45 -4.645 -8.800 -5.782 1.00 1.05 C ATOM 0 HA PRO A 45 -6.991 -9.537 -3.828 1.00 1.22 H new ATOM 0 HB2 PRO A 45 -7.629 -9.969 -6.582 1.00 1.41 H new ATOM 0 HB3 PRO A 45 -7.510 -8.380 -5.853 1.00 1.41 H new ATOM 0 HG2 PRO A 45 -5.457 -9.896 -7.436 1.00 1.32 H new ATOM 0 HG3 PRO A 45 -5.827 -8.183 -7.461 1.00 1.32 H new ATOM 0 HD2 PRO A 45 -3.655 -9.057 -6.159 1.00 1.05 H new ATOM 0 HD3 PRO A 45 -4.609 -7.754 -5.477 1.00 1.05 H new ATOM 785 N ARG A 46 -5.964 -12.267 -5.214 1.00 1.19 N ATOM 786 CA ARG A 46 -6.203 -13.709 -5.249 1.00 1.41 C ATOM 787 C ARG A 46 -5.581 -14.398 -4.036 1.00 1.33 C ATOM 788 O ARG A 46 -5.726 -15.606 -3.851 1.00 1.52 O ATOM 789 CB ARG A 46 -5.640 -14.318 -6.534 1.00 1.62 C ATOM 790 CG ARG A 46 -6.344 -13.845 -7.795 1.00 2.05 C ATOM 791 CD ARG A 46 -5.757 -14.490 -9.041 1.00 2.15 C ATOM 792 NE ARG A 46 -5.840 -15.953 -9.002 1.00 2.69 N ATOM 793 CZ ARG A 46 -6.249 -16.703 -10.027 1.00 3.29 C ATOM 794 NH1 ARG A 46 -6.641 -16.136 -11.161 1.00 3.38 N ATOM 795 NH2 ARG A 46 -6.264 -18.025 -9.916 1.00 4.16 N ATOM 0 H ARG A 46 -5.071 -11.976 -5.612 1.00 1.19 H new ATOM 0 HA ARG A 46 -7.281 -13.866 -5.224 1.00 1.41 H new ATOM 0 HB2 ARG A 46 -4.580 -14.074 -6.607 1.00 1.62 H new ATOM 0 HB3 ARG A 46 -5.713 -15.404 -6.473 1.00 1.62 H new ATOM 0 HG2 ARG A 46 -7.406 -14.080 -7.729 1.00 2.05 H new ATOM 0 HG3 ARG A 46 -6.262 -12.761 -7.873 1.00 2.05 H new ATOM 0 HD2 ARG A 46 -6.285 -14.122 -9.921 1.00 2.15 H new ATOM 0 HD3 ARG A 46 -4.714 -14.190 -9.146 1.00 2.15 H new ATOM 0 HE ARG A 46 -5.569 -16.426 -8.140 1.00 2.69 H new ATOM 0 HH11 ARG A 46 -6.631 -15.120 -11.253 1.00 3.38 H new ATOM 0 HH12 ARG A 46 -6.952 -16.716 -11.940 1.00 3.38 H new ATOM 0 HH21 ARG A 46 -5.963 -18.467 -9.048 1.00 4.16 H new ATOM 0 HH22 ARG A 46 -6.577 -18.599 -10.699 1.00 4.16 H new ATOM 809 N GLU A 47 -4.878 -13.624 -3.223 1.00 1.17 N ATOM 810 CA GLU A 47 -4.229 -14.152 -2.036 1.00 1.13 C ATOM 811 C GLU A 47 -5.178 -14.096 -0.844 1.00 1.30 C ATOM 812 O GLU A 47 -5.678 -13.028 -0.483 1.00 1.48 O ATOM 813 CB GLU A 47 -2.949 -13.359 -1.742 1.00 1.09 C ATOM 814 CG GLU A 47 -2.180 -13.858 -0.534 1.00 1.43 C ATOM 815 CD GLU A 47 -1.801 -15.316 -0.654 1.00 1.91 C ATOM 816 OE1 GLU A 47 -0.793 -15.620 -1.324 1.00 2.56 O ATOM 817 OE2 GLU A 47 -2.516 -16.164 -0.086 1.00 2.22 O ATOM 0 H GLU A 47 -4.743 -12.623 -3.366 1.00 1.17 H new ATOM 0 HA GLU A 47 -3.962 -15.194 -2.213 1.00 1.13 H new ATOM 0 HB2 GLU A 47 -2.299 -13.400 -2.616 1.00 1.09 H new ATOM 0 HB3 GLU A 47 -3.210 -12.312 -1.587 1.00 1.09 H new ATOM 0 HG2 GLU A 47 -1.277 -13.260 -0.409 1.00 1.43 H new ATOM 0 HG3 GLU A 47 -2.784 -13.715 0.362 1.00 1.43 H new ATOM 824 N THR A 48 -5.428 -15.248 -0.246 1.00 1.56 N ATOM 825 CA THR A 48 -6.297 -15.332 0.917 1.00 1.94 C ATOM 826 C THR A 48 -5.641 -16.137 2.034 1.00 1.56 C ATOM 827 O THR A 48 -6.201 -16.285 3.120 1.00 1.92 O ATOM 828 CB THR A 48 -7.651 -15.967 0.546 1.00 2.64 C ATOM 829 OG1 THR A 48 -7.438 -17.098 -0.310 1.00 2.79 O ATOM 830 CG2 THR A 48 -8.559 -14.959 -0.146 1.00 3.54 C ATOM 0 H THR A 48 -5.040 -16.142 -0.547 1.00 1.56 H new ATOM 0 HA THR A 48 -6.469 -14.316 1.272 1.00 1.94 H new ATOM 0 HB THR A 48 -8.140 -16.291 1.465 1.00 2.64 H new ATOM 0 HG1 THR A 48 -8.301 -17.500 -0.542 1.00 2.79 H new ATOM 0 HG21 THR A 48 -9.507 -15.435 -0.396 1.00 3.54 H new ATOM 0 HG22 THR A 48 -8.741 -14.116 0.520 1.00 3.54 H new ATOM 0 HG23 THR A 48 -8.080 -14.604 -1.058 1.00 3.54 H new ATOM 838 N PHE A 49 -4.444 -16.646 1.765 1.00 1.27 N ATOM 839 CA PHE A 49 -3.711 -17.438 2.738 1.00 1.57 C ATOM 840 C PHE A 49 -2.798 -16.544 3.564 1.00 1.23 C ATOM 841 O PHE A 49 -2.785 -16.620 4.793 1.00 1.42 O ATOM 842 CB PHE A 49 -2.894 -18.528 2.034 1.00 2.24 C ATOM 843 CG PHE A 49 -1.900 -19.217 2.928 1.00 3.04 C ATOM 844 CD1 PHE A 49 -2.322 -20.107 3.902 1.00 3.80 C ATOM 845 CD2 PHE A 49 -0.543 -18.966 2.797 1.00 3.65 C ATOM 846 CE1 PHE A 49 -1.408 -20.734 4.728 1.00 4.81 C ATOM 847 CE2 PHE A 49 0.374 -19.589 3.620 1.00 4.73 C ATOM 848 CZ PHE A 49 -0.059 -20.473 4.585 1.00 5.19 C ATOM 0 H PHE A 49 -3.961 -16.522 0.875 1.00 1.27 H new ATOM 0 HA PHE A 49 -4.427 -17.918 3.405 1.00 1.57 H new ATOM 0 HB2 PHE A 49 -3.577 -19.272 1.624 1.00 2.24 H new ATOM 0 HB3 PHE A 49 -2.364 -18.084 1.192 1.00 2.24 H new ATOM 0 HD1 PHE A 49 -3.376 -20.313 4.017 1.00 3.80 H new ATOM 0 HD2 PHE A 49 -0.199 -18.275 2.042 1.00 3.65 H new ATOM 0 HE1 PHE A 49 -1.748 -21.427 5.484 1.00 4.81 H new ATOM 0 HE2 PHE A 49 1.428 -19.384 3.508 1.00 4.73 H new ATOM 0 HZ PHE A 49 0.657 -20.962 5.229 1.00 5.19 H new ATOM 858 N LEU A 50 -2.048 -15.692 2.883 1.00 0.94 N ATOM 859 CA LEU A 50 -1.121 -14.784 3.546 1.00 0.81 C ATOM 860 C LEU A 50 -1.894 -13.758 4.376 1.00 0.81 C ATOM 861 O LEU A 50 -2.884 -13.199 3.907 1.00 0.88 O ATOM 862 CB LEU A 50 -0.256 -14.075 2.503 1.00 0.83 C ATOM 863 CG LEU A 50 1.020 -13.427 3.037 1.00 1.05 C ATOM 864 CD1 LEU A 50 2.022 -14.487 3.469 1.00 1.34 C ATOM 865 CD2 LEU A 50 1.630 -12.519 1.990 1.00 1.51 C ATOM 0 H LEU A 50 -2.062 -15.609 1.866 1.00 0.94 H new ATOM 0 HA LEU A 50 -0.476 -15.357 4.212 1.00 0.81 H new ATOM 0 HB2 LEU A 50 0.018 -14.796 1.733 1.00 0.83 H new ATOM 0 HB3 LEU A 50 -0.858 -13.306 2.019 1.00 0.83 H new ATOM 0 HG LEU A 50 0.760 -12.827 3.909 1.00 1.05 H new ATOM 0 HD11 LEU A 50 2.923 -14.004 3.846 1.00 1.34 H new ATOM 0 HD12 LEU A 50 1.584 -15.102 4.255 1.00 1.34 H new ATOM 0 HD13 LEU A 50 2.277 -15.116 2.616 1.00 1.34 H new ATOM 0 HD21 LEU A 50 2.538 -12.065 2.387 1.00 1.51 H new ATOM 0 HD22 LEU A 50 1.873 -13.101 1.101 1.00 1.51 H new ATOM 0 HD23 LEU A 50 0.918 -11.736 1.728 1.00 1.51 H new ATOM 877 N PRO A 51 -1.466 -13.517 5.624 1.00 0.98 N ATOM 878 CA PRO A 51 -2.152 -12.594 6.537 1.00 1.19 C ATOM 879 C PRO A 51 -1.975 -11.124 6.149 1.00 1.06 C ATOM 880 O PRO A 51 -0.948 -10.735 5.591 1.00 1.05 O ATOM 881 CB PRO A 51 -1.475 -12.870 7.881 1.00 1.58 C ATOM 882 CG PRO A 51 -0.115 -13.354 7.525 1.00 1.69 C ATOM 883 CD PRO A 51 -0.281 -14.131 6.251 1.00 1.21 C ATOM 0 HA PRO A 51 -3.230 -12.753 6.534 1.00 1.19 H new ATOM 0 HB2 PRO A 51 -1.427 -11.969 8.493 1.00 1.58 H new ATOM 0 HB3 PRO A 51 -2.024 -13.617 8.455 1.00 1.58 H new ATOM 0 HG2 PRO A 51 0.574 -12.520 7.388 1.00 1.69 H new ATOM 0 HG3 PRO A 51 0.297 -13.981 8.316 1.00 1.69 H new ATOM 0 HD2 PRO A 51 0.599 -14.048 5.613 1.00 1.21 H new ATOM 0 HD3 PRO A 51 -0.435 -15.192 6.446 1.00 1.21 H new ATOM 891 N PRO A 52 -2.998 -10.292 6.422 1.00 1.03 N ATOM 892 CA PRO A 52 -2.923 -8.840 6.237 1.00 0.93 C ATOM 893 C PRO A 52 -1.994 -8.191 7.259 1.00 0.87 C ATOM 894 O PRO A 52 -1.549 -8.840 8.210 1.00 1.08 O ATOM 895 CB PRO A 52 -4.365 -8.358 6.457 1.00 1.03 C ATOM 896 CG PRO A 52 -5.207 -9.589 6.459 1.00 1.15 C ATOM 897 CD PRO A 52 -4.316 -10.702 6.923 1.00 1.17 C ATOM 0 HA PRO A 52 -2.525 -8.577 5.257 1.00 0.93 H new ATOM 0 HB2 PRO A 52 -4.458 -7.819 7.400 1.00 1.03 H new ATOM 0 HB3 PRO A 52 -4.674 -7.674 5.667 1.00 1.03 H new ATOM 0 HG2 PRO A 52 -6.064 -9.474 7.122 1.00 1.15 H new ATOM 0 HG3 PRO A 52 -5.600 -9.794 5.463 1.00 1.15 H new ATOM 0 HD2 PRO A 52 -4.324 -10.801 8.008 1.00 1.17 H new ATOM 0 HD3 PRO A 52 -4.623 -11.664 6.513 1.00 1.17 H new ATOM 905 N LEU A 53 -1.690 -6.916 7.060 1.00 0.75 N ATOM 906 CA LEU A 53 -0.811 -6.200 7.970 1.00 0.74 C ATOM 907 C LEU A 53 -1.606 -5.328 8.930 1.00 0.76 C ATOM 908 O LEU A 53 -2.803 -5.103 8.725 1.00 0.80 O ATOM 909 CB LEU A 53 0.175 -5.331 7.197 1.00 0.76 C ATOM 910 CG LEU A 53 0.951 -6.050 6.098 1.00 0.79 C ATOM 911 CD1 LEU A 53 1.870 -5.078 5.385 1.00 0.77 C ATOM 912 CD2 LEU A 53 1.739 -7.215 6.676 1.00 1.22 C ATOM 0 H LEU A 53 -2.038 -6.359 6.279 1.00 0.75 H new ATOM 0 HA LEU A 53 -0.261 -6.945 8.545 1.00 0.74 H new ATOM 0 HB2 LEU A 53 -0.371 -4.500 6.750 1.00 0.76 H new ATOM 0 HB3 LEU A 53 0.887 -4.903 7.902 1.00 0.76 H new ATOM 0 HG LEU A 53 0.242 -6.449 5.372 1.00 0.79 H new ATOM 0 HD11 LEU A 53 2.418 -5.603 4.603 1.00 0.77 H new ATOM 0 HD12 LEU A 53 1.278 -4.278 4.939 1.00 0.77 H new ATOM 0 HD13 LEU A 53 2.575 -4.653 6.100 1.00 0.77 H new ATOM 0 HD21 LEU A 53 2.286 -7.716 5.877 1.00 1.22 H new ATOM 0 HD22 LEU A 53 2.443 -6.844 7.421 1.00 1.22 H new ATOM 0 HD23 LEU A 53 1.053 -7.921 7.144 1.00 1.22 H new ATOM 924 N ASP A 54 -0.936 -4.842 9.969 1.00 0.77 N ATOM 925 CA ASP A 54 -1.557 -3.962 10.957 1.00 0.82 C ATOM 926 C ASP A 54 -2.236 -2.767 10.286 1.00 0.69 C ATOM 927 O ASP A 54 -3.355 -2.390 10.647 1.00 0.75 O ATOM 928 CB ASP A 54 -0.504 -3.473 11.961 1.00 1.00 C ATOM 929 CG ASP A 54 -1.075 -2.517 12.994 1.00 1.25 C ATOM 930 OD1 ASP A 54 -1.682 -2.986 13.977 1.00 1.53 O ATOM 931 OD2 ASP A 54 -0.919 -1.289 12.828 1.00 2.12 O ATOM 0 H ASP A 54 0.047 -5.044 10.151 1.00 0.77 H new ATOM 0 HA ASP A 54 -2.321 -4.532 11.485 1.00 0.82 H new ATOM 0 HB2 ASP A 54 -0.067 -4.332 12.470 1.00 1.00 H new ATOM 0 HB3 ASP A 54 0.303 -2.978 11.422 1.00 1.00 H new ATOM 936 N LYS A 55 -1.569 -2.194 9.292 1.00 0.64 N ATOM 937 CA LYS A 55 -2.103 -1.041 8.580 1.00 0.62 C ATOM 938 C LYS A 55 -2.047 -1.272 7.079 1.00 0.55 C ATOM 939 O LYS A 55 -1.236 -2.063 6.594 1.00 0.61 O ATOM 940 CB LYS A 55 -1.311 0.224 8.925 1.00 0.81 C ATOM 941 CG LYS A 55 -1.337 0.588 10.398 1.00 1.10 C ATOM 942 CD LYS A 55 -0.564 1.866 10.667 1.00 1.49 C ATOM 943 CE LYS A 55 -0.497 2.171 12.154 1.00 1.98 C ATOM 944 NZ LYS A 55 0.238 1.119 12.904 1.00 2.59 N ATOM 0 H LYS A 55 -0.657 -2.509 8.961 1.00 0.64 H new ATOM 0 HA LYS A 55 -3.140 -0.908 8.888 1.00 0.62 H new ATOM 0 HB2 LYS A 55 -0.275 0.088 8.614 1.00 0.81 H new ATOM 0 HB3 LYS A 55 -1.710 1.058 8.348 1.00 0.81 H new ATOM 0 HG2 LYS A 55 -2.369 0.710 10.726 1.00 1.10 H new ATOM 0 HG3 LYS A 55 -0.911 -0.227 10.983 1.00 1.10 H new ATOM 0 HD2 LYS A 55 0.446 1.773 10.267 1.00 1.49 H new ATOM 0 HD3 LYS A 55 -1.038 2.697 10.145 1.00 1.49 H new ATOM 0 HE2 LYS A 55 -0.008 3.133 12.305 1.00 1.98 H new ATOM 0 HE3 LYS A 55 -1.508 2.261 12.552 1.00 1.98 H new ATOM 0 HZ1 LYS A 55 0.498 1.480 13.844 1.00 2.59 H new ATOM 0 HZ2 LYS A 55 -0.368 0.281 13.011 1.00 2.59 H new ATOM 0 HZ3 LYS A 55 1.099 0.859 12.383 1.00 2.59 H new ATOM 958 N THR A 56 -2.927 -0.597 6.356 1.00 0.50 N ATOM 959 CA THR A 56 -2.911 -0.640 4.904 1.00 0.48 C ATOM 960 C THR A 56 -2.054 0.503 4.364 1.00 0.43 C ATOM 961 O THR A 56 -1.571 0.459 3.234 1.00 0.45 O ATOM 962 CB THR A 56 -4.335 -0.527 4.333 1.00 0.55 C ATOM 963 OG1 THR A 56 -5.249 -1.256 5.164 1.00 1.14 O ATOM 964 CG2 THR A 56 -4.399 -1.079 2.916 1.00 0.96 C ATOM 0 H THR A 56 -3.662 -0.012 6.753 1.00 0.50 H new ATOM 0 HA THR A 56 -2.489 -1.596 4.595 1.00 0.48 H new ATOM 0 HB THR A 56 -4.610 0.527 4.311 1.00 0.55 H new ATOM 0 HG1 THR A 56 -6.155 -1.180 4.798 1.00 1.14 H new ATOM 0 HG21 THR A 56 -5.416 -0.987 2.535 1.00 0.96 H new ATOM 0 HG22 THR A 56 -3.720 -0.516 2.275 1.00 0.96 H new ATOM 0 HG23 THR A 56 -4.107 -2.129 2.921 1.00 0.96 H new ATOM 972 N LYS A 57 -1.876 1.528 5.190 1.00 0.46 N ATOM 973 CA LYS A 57 -1.040 2.666 4.843 1.00 0.48 C ATOM 974 C LYS A 57 0.093 2.801 5.842 1.00 0.52 C ATOM 975 O LYS A 57 -0.120 2.694 7.050 1.00 0.69 O ATOM 976 CB LYS A 57 -1.857 3.959 4.840 1.00 0.59 C ATOM 977 CG LYS A 57 -3.063 3.920 3.925 1.00 0.90 C ATOM 978 CD LYS A 57 -3.902 5.178 4.062 1.00 1.09 C ATOM 979 CE LYS A 57 -5.205 5.055 3.295 1.00 1.54 C ATOM 980 NZ LYS A 57 -6.028 3.913 3.778 1.00 2.14 N ATOM 0 H LYS A 57 -2.305 1.592 6.113 1.00 0.46 H new ATOM 0 HA LYS A 57 -0.636 2.497 3.845 1.00 0.48 H new ATOM 0 HB2 LYS A 57 -2.191 4.169 5.856 1.00 0.59 H new ATOM 0 HB3 LYS A 57 -1.212 4.784 4.540 1.00 0.59 H new ATOM 0 HG2 LYS A 57 -2.734 3.811 2.892 1.00 0.90 H new ATOM 0 HG3 LYS A 57 -3.672 3.047 4.160 1.00 0.90 H new ATOM 0 HD2 LYS A 57 -4.113 5.365 5.115 1.00 1.09 H new ATOM 0 HD3 LYS A 57 -3.339 6.035 3.693 1.00 1.09 H new ATOM 0 HE2 LYS A 57 -5.773 5.980 3.395 1.00 1.54 H new ATOM 0 HE3 LYS A 57 -4.991 4.925 2.234 1.00 1.54 H new ATOM 0 HZ1 LYS A 57 -7.021 4.061 3.505 1.00 2.14 H new ATOM 0 HZ2 LYS A 57 -5.680 3.030 3.353 1.00 2.14 H new ATOM 0 HZ3 LYS A 57 -5.960 3.849 4.814 1.00 2.14 H new ATOM 994 N PHE A 58 1.290 3.026 5.339 1.00 0.43 N ATOM 995 CA PHE A 58 2.438 3.255 6.194 1.00 0.50 C ATOM 996 C PHE A 58 3.126 4.548 5.798 1.00 0.38 C ATOM 997 O PHE A 58 3.151 4.916 4.621 1.00 0.33 O ATOM 998 CB PHE A 58 3.426 2.088 6.110 1.00 0.69 C ATOM 999 CG PHE A 58 2.869 0.785 6.605 1.00 0.48 C ATOM 1000 CD1 PHE A 58 2.761 0.537 7.964 1.00 1.42 C ATOM 1001 CD2 PHE A 58 2.453 -0.190 5.715 1.00 1.16 C ATOM 1002 CE1 PHE A 58 2.249 -0.660 8.425 1.00 1.64 C ATOM 1003 CE2 PHE A 58 1.943 -1.389 6.168 1.00 1.29 C ATOM 1004 CZ PHE A 58 1.840 -1.625 7.526 1.00 1.11 C ATOM 0 H PHE A 58 1.494 3.055 4.340 1.00 0.43 H new ATOM 0 HA PHE A 58 2.089 3.332 7.224 1.00 0.50 H new ATOM 0 HB2 PHE A 58 3.743 1.967 5.074 1.00 0.69 H new ATOM 0 HB3 PHE A 58 4.316 2.335 6.689 1.00 0.69 H new ATOM 0 HD1 PHE A 58 3.081 1.288 8.671 1.00 1.42 H new ATOM 0 HD2 PHE A 58 2.529 -0.010 4.653 1.00 1.16 H new ATOM 0 HE1 PHE A 58 2.169 -0.841 9.487 1.00 1.64 H new ATOM 0 HE2 PHE A 58 1.625 -2.142 5.463 1.00 1.29 H new ATOM 0 HZ PHE A 58 1.440 -2.563 7.883 1.00 1.11 H new ATOM 1014 N LEU A 59 3.656 5.253 6.781 1.00 0.46 N ATOM 1015 CA LEU A 59 4.423 6.448 6.511 1.00 0.43 C ATOM 1016 C LEU A 59 5.908 6.120 6.558 1.00 0.40 C ATOM 1017 O LEU A 59 6.452 5.758 7.598 1.00 0.54 O ATOM 1018 CB LEU A 59 4.032 7.579 7.479 1.00 0.59 C ATOM 1019 CG LEU A 59 4.126 7.261 8.973 1.00 1.38 C ATOM 1020 CD1 LEU A 59 5.467 7.710 9.523 1.00 2.22 C ATOM 1021 CD2 LEU A 59 2.985 7.926 9.731 1.00 1.64 C ATOM 0 H LEU A 59 3.568 5.017 7.769 1.00 0.46 H new ATOM 0 HA LEU A 59 4.197 6.812 5.509 1.00 0.43 H new ATOM 0 HB2 LEU A 59 4.668 8.440 7.273 1.00 0.59 H new ATOM 0 HB3 LEU A 59 3.008 7.879 7.258 1.00 0.59 H new ATOM 0 HG LEU A 59 4.042 6.182 9.106 1.00 1.38 H new ATOM 0 HD11 LEU A 59 5.520 7.478 10.587 1.00 2.22 H new ATOM 0 HD12 LEU A 59 6.268 7.190 8.998 1.00 2.22 H new ATOM 0 HD13 LEU A 59 5.577 8.785 9.380 1.00 2.22 H new ATOM 0 HD21 LEU A 59 3.067 7.690 10.792 1.00 1.64 H new ATOM 0 HD22 LEU A 59 3.038 9.006 9.595 1.00 1.64 H new ATOM 0 HD23 LEU A 59 2.032 7.559 9.350 1.00 1.64 H new ATOM 1033 N VAL A 60 6.550 6.190 5.408 1.00 0.33 N ATOM 1034 CA VAL A 60 7.954 5.834 5.304 1.00 0.41 C ATOM 1035 C VAL A 60 8.773 7.024 4.822 1.00 0.36 C ATOM 1036 O VAL A 60 8.357 7.750 3.927 1.00 0.34 O ATOM 1037 CB VAL A 60 8.163 4.629 4.361 1.00 0.50 C ATOM 1038 CG1 VAL A 60 7.549 3.375 4.962 1.00 0.59 C ATOM 1039 CG2 VAL A 60 7.573 4.899 2.983 1.00 0.47 C ATOM 0 H VAL A 60 6.123 6.490 4.532 1.00 0.33 H new ATOM 0 HA VAL A 60 8.296 5.548 6.299 1.00 0.41 H new ATOM 0 HB VAL A 60 9.236 4.475 4.244 1.00 0.50 H new ATOM 0 HG11 VAL A 60 7.704 2.534 4.286 1.00 0.59 H new ATOM 0 HG12 VAL A 60 8.022 3.162 5.921 1.00 0.59 H new ATOM 0 HG13 VAL A 60 6.480 3.529 5.111 1.00 0.59 H new ATOM 0 HG21 VAL A 60 7.736 4.033 2.342 1.00 0.47 H new ATOM 0 HG22 VAL A 60 6.503 5.086 3.076 1.00 0.47 H new ATOM 0 HG23 VAL A 60 8.057 5.771 2.544 1.00 0.47 H new ATOM 1049 N PRO A 61 9.933 7.258 5.439 1.00 0.41 N ATOM 1050 CA PRO A 61 10.795 8.382 5.085 1.00 0.41 C ATOM 1051 C PRO A 61 11.637 8.102 3.843 1.00 0.37 C ATOM 1052 O PRO A 61 11.859 6.947 3.471 1.00 0.36 O ATOM 1053 CB PRO A 61 11.686 8.518 6.316 1.00 0.52 C ATOM 1054 CG PRO A 61 11.807 7.131 6.846 1.00 0.71 C ATOM 1055 CD PRO A 61 10.500 6.449 6.537 1.00 0.51 C ATOM 0 HA PRO A 61 10.228 9.280 4.840 1.00 0.41 H new ATOM 0 HB2 PRO A 61 12.661 8.930 6.056 1.00 0.52 H new ATOM 0 HB3 PRO A 61 11.244 9.187 7.054 1.00 0.52 H new ATOM 0 HG2 PRO A 61 12.640 6.607 6.378 1.00 0.71 H new ATOM 0 HG3 PRO A 61 11.998 7.139 7.919 1.00 0.71 H new ATOM 0 HD2 PRO A 61 10.651 5.413 6.234 1.00 0.51 H new ATOM 0 HD3 PRO A 61 9.841 6.435 7.405 1.00 0.51 H new ATOM 1063 N GLN A 62 12.109 9.175 3.215 1.00 0.42 N ATOM 1064 CA GLN A 62 12.972 9.080 2.042 1.00 0.45 C ATOM 1065 C GLN A 62 14.272 8.365 2.387 1.00 0.43 C ATOM 1066 O GLN A 62 14.968 7.849 1.511 1.00 0.51 O ATOM 1067 CB GLN A 62 13.310 10.471 1.502 1.00 0.61 C ATOM 1068 CG GLN A 62 12.118 11.267 0.998 1.00 0.85 C ATOM 1069 CD GLN A 62 12.551 12.507 0.242 1.00 0.78 C ATOM 1070 OE1 GLN A 62 13.602 12.521 -0.396 1.00 1.34 O ATOM 1071 NE2 GLN A 62 11.754 13.557 0.306 1.00 1.15 N ATOM 0 H GLN A 62 11.905 10.132 3.504 1.00 0.42 H new ATOM 0 HA GLN A 62 12.431 8.514 1.283 1.00 0.45 H new ATOM 0 HB2 GLN A 62 13.803 11.041 2.290 1.00 0.61 H new ATOM 0 HB3 GLN A 62 14.028 10.365 0.689 1.00 0.61 H new ATOM 0 HG2 GLN A 62 11.509 10.638 0.348 1.00 0.85 H new ATOM 0 HG3 GLN A 62 11.490 11.556 1.841 1.00 0.85 H new ATOM 0 HE21 GLN A 62 10.890 13.509 0.845 1.00 1.15 H new ATOM 0 HE22 GLN A 62 12.003 14.417 -0.184 1.00 1.15 H new ATOM 1080 N GLU A 63 14.592 8.354 3.672 1.00 0.46 N ATOM 1081 CA GLU A 63 15.838 7.789 4.160 1.00 0.59 C ATOM 1082 C GLU A 63 15.744 6.267 4.292 1.00 0.51 C ATOM 1083 O GLU A 63 16.745 5.599 4.553 1.00 0.62 O ATOM 1084 CB GLU A 63 16.203 8.403 5.518 1.00 0.81 C ATOM 1085 CG GLU A 63 16.304 9.929 5.528 1.00 1.56 C ATOM 1086 CD GLU A 63 14.955 10.623 5.468 1.00 2.26 C ATOM 1087 OE1 GLU A 63 14.181 10.507 6.439 1.00 2.73 O ATOM 1088 OE2 GLU A 63 14.659 11.275 4.444 1.00 3.07 O ATOM 0 H GLU A 63 13.994 8.737 4.405 1.00 0.46 H new ATOM 0 HA GLU A 63 16.617 8.024 3.434 1.00 0.59 H new ATOM 0 HB2 GLU A 63 15.456 8.098 6.251 1.00 0.81 H new ATOM 0 HB3 GLU A 63 17.157 7.988 5.843 1.00 0.81 H new ATOM 0 HG2 GLU A 63 16.827 10.245 6.430 1.00 1.56 H new ATOM 0 HG3 GLU A 63 16.908 10.251 4.680 1.00 1.56 H new ATOM 1095 N LEU A 64 14.545 5.725 4.109 1.00 0.39 N ATOM 1096 CA LEU A 64 14.322 4.300 4.265 1.00 0.39 C ATOM 1097 C LEU A 64 14.658 3.563 2.979 1.00 0.45 C ATOM 1098 O LEU A 64 14.357 4.032 1.877 1.00 0.54 O ATOM 1099 CB LEU A 64 12.868 4.019 4.652 1.00 0.36 C ATOM 1100 CG LEU A 64 12.570 2.568 5.028 1.00 0.49 C ATOM 1101 CD1 LEU A 64 13.167 2.235 6.386 1.00 1.14 C ATOM 1102 CD2 LEU A 64 11.075 2.305 5.020 1.00 1.44 C ATOM 0 H LEU A 64 13.713 6.256 3.852 1.00 0.39 H new ATOM 0 HA LEU A 64 14.975 3.944 5.061 1.00 0.39 H new ATOM 0 HB2 LEU A 64 12.601 4.659 5.493 1.00 0.36 H new ATOM 0 HB3 LEU A 64 12.225 4.303 3.819 1.00 0.36 H new ATOM 0 HG LEU A 64 13.031 1.921 4.282 1.00 0.49 H new ATOM 0 HD11 LEU A 64 12.945 1.198 6.637 1.00 1.14 H new ATOM 0 HD12 LEU A 64 14.247 2.377 6.353 1.00 1.14 H new ATOM 0 HD13 LEU A 64 12.738 2.891 7.143 1.00 1.14 H new ATOM 0 HD21 LEU A 64 10.887 1.266 5.291 1.00 1.44 H new ATOM 0 HD22 LEU A 64 10.586 2.962 5.740 1.00 1.44 H new ATOM 0 HD23 LEU A 64 10.677 2.498 4.024 1.00 1.44 H new ATOM 1114 N THR A 65 15.288 2.417 3.127 1.00 0.49 N ATOM 1115 CA THR A 65 15.625 1.574 1.995 1.00 0.54 C ATOM 1116 C THR A 65 14.574 0.491 1.803 1.00 0.53 C ATOM 1117 O THR A 65 13.863 0.139 2.748 1.00 0.51 O ATOM 1118 CB THR A 65 17.001 0.906 2.177 1.00 0.60 C ATOM 1119 OG1 THR A 65 17.001 0.096 3.362 1.00 0.56 O ATOM 1120 CG2 THR A 65 18.102 1.950 2.270 1.00 0.68 C ATOM 0 H THR A 65 15.581 2.043 4.030 1.00 0.49 H new ATOM 0 HA THR A 65 15.659 2.217 1.116 1.00 0.54 H new ATOM 0 HB THR A 65 17.192 0.277 1.308 1.00 0.60 H new ATOM 0 HG1 THR A 65 17.879 -0.326 3.470 1.00 0.56 H new ATOM 0 HG21 THR A 65 19.064 1.454 2.398 1.00 0.68 H new ATOM 0 HG22 THR A 65 18.119 2.543 1.356 1.00 0.68 H new ATOM 0 HG23 THR A 65 17.914 2.602 3.123 1.00 0.68 H new ATOM 1128 N MET A 66 14.475 -0.040 0.590 1.00 0.55 N ATOM 1129 CA MET A 66 13.550 -1.129 0.303 1.00 0.56 C ATOM 1130 C MET A 66 13.843 -2.323 1.201 1.00 0.52 C ATOM 1131 O MET A 66 12.931 -3.001 1.672 1.00 0.47 O ATOM 1132 CB MET A 66 13.655 -1.538 -1.165 1.00 0.62 C ATOM 1133 CG MET A 66 12.611 -2.553 -1.593 1.00 0.88 C ATOM 1134 SD MET A 66 10.929 -1.928 -1.427 1.00 1.39 S ATOM 1135 CE MET A 66 10.003 -3.312 -2.078 1.00 1.05 C ATOM 0 H MET A 66 15.025 0.267 -0.212 1.00 0.55 H new ATOM 0 HA MET A 66 12.535 -0.784 0.500 1.00 0.56 H new ATOM 0 HB2 MET A 66 13.561 -0.649 -1.788 1.00 0.62 H new ATOM 0 HB3 MET A 66 14.647 -1.952 -1.347 1.00 0.62 H new ATOM 0 HG2 MET A 66 12.789 -2.836 -2.630 1.00 0.88 H new ATOM 0 HG3 MET A 66 12.720 -3.456 -0.993 1.00 0.88 H new ATOM 0 HE1 MET A 66 9.129 -2.944 -2.616 1.00 1.05 H new ATOM 0 HE2 MET A 66 10.634 -3.884 -2.758 1.00 1.05 H new ATOM 0 HE3 MET A 66 9.681 -3.953 -1.257 1.00 1.05 H new ATOM 1145 N THR A 67 15.129 -2.550 1.448 1.00 0.56 N ATOM 1146 CA THR A 67 15.577 -3.613 2.333 1.00 0.58 C ATOM 1147 C THR A 67 14.908 -3.500 3.703 1.00 0.47 C ATOM 1148 O THR A 67 14.329 -4.462 4.210 1.00 0.45 O ATOM 1149 CB THR A 67 17.104 -3.542 2.506 1.00 0.70 C ATOM 1150 OG1 THR A 67 17.727 -3.422 1.220 1.00 1.33 O ATOM 1151 CG2 THR A 67 17.637 -4.772 3.226 1.00 1.19 C ATOM 0 H THR A 67 15.887 -2.002 1.040 1.00 0.56 H new ATOM 0 HA THR A 67 15.300 -4.567 1.885 1.00 0.58 H new ATOM 0 HB THR A 67 17.340 -2.668 3.114 1.00 0.70 H new ATOM 0 HG1 THR A 67 18.700 -3.375 1.331 1.00 1.33 H new ATOM 0 HG21 THR A 67 18.719 -4.691 3.332 1.00 1.19 H new ATOM 0 HG22 THR A 67 17.180 -4.843 4.213 1.00 1.19 H new ATOM 0 HG23 THR A 67 17.395 -5.665 2.649 1.00 1.19 H new ATOM 1159 N GLN A 68 14.963 -2.306 4.280 1.00 0.47 N ATOM 1160 CA GLN A 68 14.399 -2.070 5.602 1.00 0.43 C ATOM 1161 C GLN A 68 12.878 -2.012 5.555 1.00 0.35 C ATOM 1162 O GLN A 68 12.210 -2.384 6.518 1.00 0.34 O ATOM 1163 CB GLN A 68 14.959 -0.776 6.182 1.00 0.50 C ATOM 1164 CG GLN A 68 16.443 -0.849 6.491 1.00 0.56 C ATOM 1165 CD GLN A 68 17.030 0.506 6.827 1.00 1.33 C ATOM 1166 OE1 GLN A 68 16.581 1.531 6.313 1.00 2.03 O ATOM 1167 NE2 GLN A 68 18.028 0.520 7.694 1.00 1.98 N ATOM 0 H GLN A 68 15.393 -1.486 3.852 1.00 0.47 H new ATOM 0 HA GLN A 68 14.680 -2.904 6.244 1.00 0.43 H new ATOM 0 HB2 GLN A 68 14.781 0.037 5.477 1.00 0.50 H new ATOM 0 HB3 GLN A 68 14.417 -0.531 7.095 1.00 0.50 H new ATOM 0 HG2 GLN A 68 16.604 -1.529 7.327 1.00 0.56 H new ATOM 0 HG3 GLN A 68 16.970 -1.268 5.633 1.00 0.56 H new ATOM 0 HE21 GLN A 68 18.368 -0.354 8.095 1.00 1.98 H new ATOM 0 HE22 GLN A 68 18.458 1.405 7.962 1.00 1.98 H new ATOM 1176 N PHE A 69 12.331 -1.563 4.433 1.00 0.35 N ATOM 1177 CA PHE A 69 10.887 -1.471 4.274 1.00 0.34 C ATOM 1178 C PHE A 69 10.289 -2.865 4.214 1.00 0.36 C ATOM 1179 O PHE A 69 9.252 -3.141 4.817 1.00 0.36 O ATOM 1180 CB PHE A 69 10.532 -0.682 3.012 1.00 0.42 C ATOM 1181 CG PHE A 69 9.055 -0.500 2.802 1.00 0.45 C ATOM 1182 CD1 PHE A 69 8.246 -0.043 3.832 1.00 1.26 C ATOM 1183 CD2 PHE A 69 8.475 -0.791 1.579 1.00 1.31 C ATOM 1184 CE1 PHE A 69 6.888 0.123 3.643 1.00 1.33 C ATOM 1185 CE2 PHE A 69 7.119 -0.626 1.385 1.00 1.30 C ATOM 1186 CZ PHE A 69 6.325 -0.170 2.418 1.00 0.59 C ATOM 0 H PHE A 69 12.866 -1.257 3.620 1.00 0.35 H new ATOM 0 HA PHE A 69 10.471 -0.942 5.132 1.00 0.34 H new ATOM 0 HB2 PHE A 69 11.005 0.299 3.064 1.00 0.42 H new ATOM 0 HB3 PHE A 69 10.952 -1.193 2.146 1.00 0.42 H new ATOM 0 HD1 PHE A 69 8.683 0.186 4.793 1.00 1.26 H new ATOM 0 HD2 PHE A 69 9.091 -1.151 0.768 1.00 1.31 H new ATOM 0 HE1 PHE A 69 6.268 0.481 4.452 1.00 1.33 H new ATOM 0 HE2 PHE A 69 6.679 -0.854 0.425 1.00 1.30 H new ATOM 0 HZ PHE A 69 5.263 -0.043 2.267 1.00 0.59 H new ATOM 1196 N LEU A 70 10.969 -3.744 3.494 1.00 0.40 N ATOM 1197 CA LEU A 70 10.583 -5.140 3.410 1.00 0.46 C ATOM 1198 C LEU A 70 10.617 -5.781 4.797 1.00 0.47 C ATOM 1199 O LEU A 70 9.780 -6.624 5.125 1.00 0.52 O ATOM 1200 CB LEU A 70 11.523 -5.873 2.451 1.00 0.54 C ATOM 1201 CG LEU A 70 11.272 -7.375 2.292 1.00 0.77 C ATOM 1202 CD1 LEU A 70 9.878 -7.632 1.735 1.00 1.18 C ATOM 1203 CD2 LEU A 70 12.326 -7.999 1.391 1.00 1.43 C ATOM 0 H LEU A 70 11.801 -3.508 2.954 1.00 0.40 H new ATOM 0 HA LEU A 70 9.565 -5.212 3.028 1.00 0.46 H new ATOM 0 HB2 LEU A 70 11.448 -5.405 1.469 1.00 0.54 H new ATOM 0 HB3 LEU A 70 12.547 -5.729 2.795 1.00 0.54 H new ATOM 0 HG LEU A 70 11.339 -7.838 3.276 1.00 0.77 H new ATOM 0 HD11 LEU A 70 9.720 -8.705 1.630 1.00 1.18 H new ATOM 0 HD12 LEU A 70 9.133 -7.221 2.416 1.00 1.18 H new ATOM 0 HD13 LEU A 70 9.782 -7.154 0.760 1.00 1.18 H new ATOM 0 HD21 LEU A 70 12.132 -9.067 1.289 1.00 1.43 H new ATOM 0 HD22 LEU A 70 12.290 -7.528 0.409 1.00 1.43 H new ATOM 0 HD23 LEU A 70 13.313 -7.850 1.828 1.00 1.43 H new ATOM 1215 N SER A 71 11.586 -5.368 5.608 1.00 0.45 N ATOM 1216 CA SER A 71 11.665 -5.816 6.992 1.00 0.50 C ATOM 1217 C SER A 71 10.461 -5.301 7.784 1.00 0.48 C ATOM 1218 O SER A 71 9.808 -6.061 8.501 1.00 0.56 O ATOM 1219 CB SER A 71 12.967 -5.326 7.628 1.00 0.55 C ATOM 1220 OG SER A 71 14.089 -5.679 6.831 1.00 1.50 O ATOM 0 H SER A 71 12.327 -4.724 5.330 1.00 0.45 H new ATOM 0 HA SER A 71 11.653 -6.906 7.011 1.00 0.50 H new ATOM 0 HB2 SER A 71 12.930 -4.244 7.751 1.00 0.55 H new ATOM 0 HB3 SER A 71 13.074 -5.757 8.624 1.00 0.55 H new ATOM 0 HG SER A 71 14.098 -5.131 6.018 1.00 1.50 H new ATOM 1226 N ILE A 72 10.163 -4.011 7.624 1.00 0.40 N ATOM 1227 CA ILE A 72 9.030 -3.384 8.301 1.00 0.39 C ATOM 1228 C ILE A 72 7.717 -4.077 7.941 1.00 0.40 C ATOM 1229 O ILE A 72 6.909 -4.377 8.817 1.00 0.46 O ATOM 1230 CB ILE A 72 8.924 -1.880 7.957 1.00 0.38 C ATOM 1231 CG1 ILE A 72 10.131 -1.120 8.515 1.00 0.42 C ATOM 1232 CG2 ILE A 72 7.626 -1.294 8.498 1.00 0.43 C ATOM 1233 CD1 ILE A 72 10.132 0.357 8.174 1.00 0.46 C ATOM 0 H ILE A 72 10.695 -3.378 7.027 1.00 0.40 H new ATOM 0 HA ILE A 72 9.207 -3.488 9.371 1.00 0.39 H new ATOM 0 HB ILE A 72 8.919 -1.774 6.872 1.00 0.38 H new ATOM 0 HG12 ILE A 72 10.151 -1.234 9.599 1.00 0.42 H new ATOM 0 HG13 ILE A 72 11.044 -1.573 8.130 1.00 0.42 H new ATOM 0 HG21 ILE A 72 7.572 -0.235 8.245 1.00 0.43 H new ATOM 0 HG22 ILE A 72 6.778 -1.817 8.055 1.00 0.43 H new ATOM 0 HG23 ILE A 72 7.598 -1.410 9.581 1.00 0.43 H new ATOM 0 HD11 ILE A 72 11.016 0.829 8.603 1.00 0.46 H new ATOM 0 HD12 ILE A 72 10.144 0.480 7.091 1.00 0.46 H new ATOM 0 HD13 ILE A 72 9.237 0.825 8.583 1.00 0.46 H new ATOM 1245 N ILE A 73 7.518 -4.335 6.653 1.00 0.40 N ATOM 1246 CA ILE A 73 6.318 -5.021 6.180 1.00 0.47 C ATOM 1247 C ILE A 73 6.145 -6.361 6.888 1.00 0.56 C ATOM 1248 O ILE A 73 5.060 -6.688 7.369 1.00 0.64 O ATOM 1249 CB ILE A 73 6.363 -5.241 4.651 1.00 0.52 C ATOM 1250 CG1 ILE A 73 6.329 -3.892 3.926 1.00 0.51 C ATOM 1251 CG2 ILE A 73 5.208 -6.123 4.194 1.00 0.65 C ATOM 1252 CD1 ILE A 73 6.406 -4.005 2.419 1.00 1.08 C ATOM 0 H ILE A 73 8.174 -4.079 5.915 1.00 0.40 H new ATOM 0 HA ILE A 73 5.465 -4.383 6.413 1.00 0.47 H new ATOM 0 HB ILE A 73 7.294 -5.751 4.403 1.00 0.52 H new ATOM 0 HG12 ILE A 73 5.411 -3.369 4.195 1.00 0.51 H new ATOM 0 HG13 ILE A 73 7.160 -3.280 4.278 1.00 0.51 H new ATOM 0 HG21 ILE A 73 5.262 -6.263 3.114 1.00 0.65 H new ATOM 0 HG22 ILE A 73 5.272 -7.092 4.689 1.00 0.65 H new ATOM 0 HG23 ILE A 73 4.262 -5.646 4.451 1.00 0.65 H new ATOM 0 HD11 ILE A 73 6.376 -3.009 1.977 1.00 1.08 H new ATOM 0 HD12 ILE A 73 7.336 -4.499 2.138 1.00 1.08 H new ATOM 0 HD13 ILE A 73 5.561 -4.589 2.054 1.00 1.08 H new ATOM 1264 N ARG A 74 7.229 -7.119 6.977 1.00 0.60 N ATOM 1265 CA ARG A 74 7.204 -8.413 7.645 1.00 0.75 C ATOM 1266 C ARG A 74 6.964 -8.245 9.145 1.00 0.75 C ATOM 1267 O ARG A 74 6.337 -9.087 9.787 1.00 0.84 O ATOM 1268 CB ARG A 74 8.517 -9.154 7.396 1.00 0.86 C ATOM 1269 CG ARG A 74 8.572 -10.537 8.019 1.00 1.15 C ATOM 1270 CD ARG A 74 9.875 -11.235 7.682 1.00 1.07 C ATOM 1271 NE ARG A 74 9.971 -12.561 8.284 1.00 1.72 N ATOM 1272 CZ ARG A 74 10.645 -13.575 7.737 1.00 2.15 C ATOM 1273 NH1 ARG A 74 11.272 -13.410 6.580 1.00 2.13 N ATOM 1274 NH2 ARG A 74 10.699 -14.750 8.350 1.00 3.12 N ATOM 0 H ARG A 74 8.138 -6.860 6.594 1.00 0.60 H new ATOM 0 HA ARG A 74 6.382 -8.999 7.234 1.00 0.75 H new ATOM 0 HB2 ARG A 74 8.673 -9.244 6.321 1.00 0.86 H new ATOM 0 HB3 ARG A 74 9.340 -8.557 7.789 1.00 0.86 H new ATOM 0 HG2 ARG A 74 8.468 -10.456 9.101 1.00 1.15 H new ATOM 0 HG3 ARG A 74 7.733 -11.134 7.662 1.00 1.15 H new ATOM 0 HD2 ARG A 74 9.966 -11.324 6.599 1.00 1.07 H new ATOM 0 HD3 ARG A 74 10.710 -10.623 8.023 1.00 1.07 H new ATOM 0 HE ARG A 74 9.496 -12.722 9.172 1.00 1.72 H new ATOM 0 HH11 ARG A 74 11.240 -12.507 6.107 1.00 2.13 H new ATOM 0 HH12 ARG A 74 11.787 -14.186 6.164 1.00 2.13 H new ATOM 0 HH21 ARG A 74 10.224 -14.882 9.243 1.00 3.12 H new ATOM 0 HH22 ARG A 74 11.215 -15.522 7.928 1.00 3.12 H new ATOM 1288 N SER A 75 7.448 -7.138 9.691 1.00 0.67 N ATOM 1289 CA SER A 75 7.284 -6.842 11.105 1.00 0.71 C ATOM 1290 C SER A 75 5.849 -6.393 11.398 1.00 0.65 C ATOM 1291 O SER A 75 5.410 -6.394 12.548 1.00 0.70 O ATOM 1292 CB SER A 75 8.284 -5.758 11.527 1.00 0.71 C ATOM 1293 OG SER A 75 8.244 -5.522 12.925 1.00 1.33 O ATOM 0 H SER A 75 7.961 -6.426 9.171 1.00 0.67 H new ATOM 0 HA SER A 75 7.480 -7.747 11.680 1.00 0.71 H new ATOM 0 HB2 SER A 75 9.291 -6.059 11.238 1.00 0.71 H new ATOM 0 HB3 SER A 75 8.063 -4.832 10.995 1.00 0.71 H new ATOM 0 HG SER A 75 8.895 -4.827 13.158 1.00 1.33 H new ATOM 1299 N ARG A 76 5.123 -6.025 10.349 1.00 0.60 N ATOM 1300 CA ARG A 76 3.753 -5.548 10.489 1.00 0.60 C ATOM 1301 C ARG A 76 2.748 -6.648 10.184 1.00 0.66 C ATOM 1302 O ARG A 76 1.540 -6.405 10.163 1.00 0.70 O ATOM 1303 CB ARG A 76 3.509 -4.342 9.583 1.00 0.58 C ATOM 1304 CG ARG A 76 4.265 -3.097 10.019 1.00 1.15 C ATOM 1305 CD ARG A 76 3.875 -2.681 11.427 1.00 1.27 C ATOM 1306 NE ARG A 76 4.557 -1.466 11.859 1.00 1.86 N ATOM 1307 CZ ARG A 76 4.245 -0.800 12.967 1.00 2.28 C ATOM 1308 NH1 ARG A 76 3.289 -1.255 13.772 1.00 2.42 N ATOM 1309 NH2 ARG A 76 4.902 0.308 13.281 1.00 3.11 N ATOM 0 H ARG A 76 5.463 -6.048 9.388 1.00 0.60 H new ATOM 0 HA ARG A 76 3.614 -5.243 11.526 1.00 0.60 H new ATOM 0 HB2 ARG A 76 3.801 -4.597 8.564 1.00 0.58 H new ATOM 0 HB3 ARG A 76 2.442 -4.122 9.563 1.00 0.58 H new ATOM 0 HG2 ARG A 76 5.338 -3.287 9.977 1.00 1.15 H new ATOM 0 HG3 ARG A 76 4.058 -2.282 9.326 1.00 1.15 H new ATOM 0 HD2 ARG A 76 2.797 -2.524 11.471 1.00 1.27 H new ATOM 0 HD3 ARG A 76 4.108 -3.490 12.119 1.00 1.27 H new ATOM 0 HE ARG A 76 5.315 -1.107 11.279 1.00 1.86 H new ATOM 0 HH11 ARG A 76 2.794 -2.116 13.540 1.00 2.42 H new ATOM 0 HH12 ARG A 76 3.051 -0.743 14.621 1.00 2.42 H new ATOM 0 HH21 ARG A 76 5.646 0.649 12.673 1.00 3.11 H new ATOM 0 HH22 ARG A 76 4.663 0.819 14.131 1.00 3.11 H new ATOM 1323 N MET A 77 3.254 -7.851 9.930 1.00 0.71 N ATOM 1324 CA MET A 77 2.404 -9.018 9.721 1.00 0.80 C ATOM 1325 C MET A 77 1.517 -9.259 10.932 1.00 0.82 C ATOM 1326 O MET A 77 2.003 -9.343 12.064 1.00 0.81 O ATOM 1327 CB MET A 77 3.255 -10.264 9.467 1.00 0.89 C ATOM 1328 CG MET A 77 3.798 -10.372 8.052 1.00 1.02 C ATOM 1329 SD MET A 77 2.503 -10.676 6.837 1.00 1.28 S ATOM 1330 CE MET A 77 3.481 -10.912 5.356 1.00 1.06 C ATOM 0 H MET A 77 4.254 -8.043 9.864 1.00 0.71 H new ATOM 0 HA MET A 77 1.779 -8.823 8.850 1.00 0.80 H new ATOM 0 HB2 MET A 77 4.091 -10.267 10.166 1.00 0.89 H new ATOM 0 HB3 MET A 77 2.656 -11.149 9.682 1.00 0.89 H new ATOM 0 HG2 MET A 77 4.323 -9.451 7.796 1.00 1.02 H new ATOM 0 HG3 MET A 77 4.530 -11.179 8.008 1.00 1.02 H new ATOM 0 HE1 MET A 77 2.879 -11.415 4.599 1.00 1.06 H new ATOM 0 HE2 MET A 77 3.807 -9.943 4.977 1.00 1.06 H new ATOM 0 HE3 MET A 77 4.354 -11.522 5.590 1.00 1.06 H new ATOM 1340 N VAL A 78 0.214 -9.345 10.696 1.00 0.89 N ATOM 1341 CA VAL A 78 -0.732 -9.667 11.761 1.00 0.97 C ATOM 1342 C VAL A 78 -0.476 -11.078 12.280 1.00 1.00 C ATOM 1343 O VAL A 78 -0.610 -11.352 13.472 1.00 1.07 O ATOM 1344 CB VAL A 78 -2.203 -9.528 11.296 1.00 1.02 C ATOM 1345 CG1 VAL A 78 -3.166 -10.089 12.335 1.00 1.28 C ATOM 1346 CG2 VAL A 78 -2.535 -8.071 11.018 1.00 1.66 C ATOM 0 H VAL A 78 -0.212 -9.197 9.781 1.00 0.89 H new ATOM 0 HA VAL A 78 -0.575 -8.949 12.566 1.00 0.97 H new ATOM 0 HB VAL A 78 -2.317 -10.103 10.377 1.00 1.02 H new ATOM 0 HG11 VAL A 78 -4.190 -9.977 11.980 1.00 1.28 H new ATOM 0 HG12 VAL A 78 -2.952 -11.145 12.497 1.00 1.28 H new ATOM 0 HG13 VAL A 78 -3.046 -9.547 13.273 1.00 1.28 H new ATOM 0 HG21 VAL A 78 -3.572 -7.990 10.692 1.00 1.66 H new ATOM 0 HG22 VAL A 78 -2.393 -7.486 11.927 1.00 1.66 H new ATOM 0 HG23 VAL A 78 -1.878 -7.691 10.236 1.00 1.66 H new ATOM 1356 N LEU A 79 -0.080 -11.962 11.383 1.00 1.03 N ATOM 1357 CA LEU A 79 0.244 -13.331 11.749 1.00 1.12 C ATOM 1358 C LEU A 79 1.640 -13.694 11.269 1.00 1.09 C ATOM 1359 O LEU A 79 1.969 -13.524 10.097 1.00 1.19 O ATOM 1360 CB LEU A 79 -0.777 -14.310 11.166 1.00 1.35 C ATOM 1361 CG LEU A 79 -2.207 -14.160 11.688 1.00 1.60 C ATOM 1362 CD1 LEU A 79 -3.125 -15.150 10.996 1.00 2.06 C ATOM 1363 CD2 LEU A 79 -2.252 -14.358 13.195 1.00 2.29 C ATOM 0 H LEU A 79 0.026 -11.756 10.390 1.00 1.03 H new ATOM 0 HA LEU A 79 0.212 -13.403 12.836 1.00 1.12 H new ATOM 0 HB2 LEU A 79 -0.790 -14.191 10.083 1.00 1.35 H new ATOM 0 HB3 LEU A 79 -0.439 -15.326 11.371 1.00 1.35 H new ATOM 0 HG LEU A 79 -2.551 -13.150 11.466 1.00 1.60 H new ATOM 0 HD11 LEU A 79 -4.140 -15.033 11.377 1.00 2.06 H new ATOM 0 HD12 LEU A 79 -3.117 -14.965 9.922 1.00 2.06 H new ATOM 0 HD13 LEU A 79 -2.779 -16.165 11.192 1.00 2.06 H new ATOM 0 HD21 LEU A 79 -3.278 -14.247 13.546 1.00 2.29 H new ATOM 0 HD22 LEU A 79 -1.890 -15.356 13.442 1.00 2.29 H new ATOM 0 HD23 LEU A 79 -1.620 -13.613 13.679 1.00 2.29 H new ATOM 1375 N ARG A 80 2.462 -14.168 12.189 1.00 1.18 N ATOM 1376 CA ARG A 80 3.808 -14.605 11.863 1.00 1.28 C ATOM 1377 C ARG A 80 3.788 -16.094 11.521 1.00 1.31 C ATOM 1378 O ARG A 80 2.811 -16.781 11.826 1.00 1.48 O ATOM 1379 CB ARG A 80 4.745 -14.322 13.043 1.00 1.62 C ATOM 1380 CG ARG A 80 6.222 -14.449 12.708 1.00 2.43 C ATOM 1381 CD ARG A 80 7.092 -14.025 13.879 1.00 2.82 C ATOM 1382 NE ARG A 80 6.843 -12.638 14.275 1.00 3.25 N ATOM 1383 CZ ARG A 80 7.196 -12.127 15.453 1.00 3.84 C ATOM 1384 NH1 ARG A 80 7.808 -12.886 16.353 1.00 4.09 N ATOM 1385 NH2 ARG A 80 6.929 -10.856 15.734 1.00 4.54 N ATOM 0 H ARG A 80 2.218 -14.260 13.175 1.00 1.18 H new ATOM 0 HA ARG A 80 4.177 -14.055 10.997 1.00 1.28 H new ATOM 0 HB2 ARG A 80 4.553 -13.315 13.412 1.00 1.62 H new ATOM 0 HB3 ARG A 80 4.507 -15.010 13.855 1.00 1.62 H new ATOM 0 HG2 ARG A 80 6.449 -15.481 12.439 1.00 2.43 H new ATOM 0 HG3 ARG A 80 6.454 -13.834 11.838 1.00 2.43 H new ATOM 0 HD2 ARG A 80 6.904 -14.683 14.727 1.00 2.82 H new ATOM 0 HD3 ARG A 80 8.142 -14.142 13.611 1.00 2.82 H new ATOM 0 HE ARG A 80 6.371 -12.026 13.609 1.00 3.25 H new ATOM 0 HH11 ARG A 80 8.009 -13.864 16.143 1.00 4.09 H new ATOM 0 HH12 ARG A 80 8.077 -12.492 17.254 1.00 4.09 H new ATOM 0 HH21 ARG A 80 6.453 -10.271 15.047 1.00 4.54 H new ATOM 0 HH22 ARG A 80 7.200 -10.465 16.637 1.00 4.54 H new ATOM 1399 N ALA A 81 4.859 -16.578 10.888 1.00 1.49 N ATOM 1400 CA ALA A 81 4.961 -17.974 10.463 1.00 1.84 C ATOM 1401 C ALA A 81 3.921 -18.289 9.397 1.00 1.79 C ATOM 1402 O ALA A 81 2.881 -18.894 9.667 1.00 2.59 O ATOM 1403 CB ALA A 81 4.839 -18.928 11.640 1.00 2.91 C ATOM 0 H ALA A 81 5.677 -16.014 10.657 1.00 1.49 H new ATOM 0 HA ALA A 81 5.951 -18.116 10.030 1.00 1.84 H new ATOM 0 HB1 ALA A 81 4.920 -19.956 11.285 1.00 2.91 H new ATOM 0 HB2 ALA A 81 5.637 -18.727 12.355 1.00 2.91 H new ATOM 0 HB3 ALA A 81 3.873 -18.786 12.125 1.00 2.91 H new ATOM 1409 N THR A 82 4.221 -17.858 8.188 1.00 1.83 N ATOM 1410 CA THR A 82 3.344 -18.056 7.049 1.00 2.56 C ATOM 1411 C THR A 82 4.180 -18.293 5.791 1.00 2.23 C ATOM 1412 O THR A 82 3.813 -17.881 4.687 1.00 2.92 O ATOM 1413 CB THR A 82 2.408 -16.835 6.865 1.00 3.57 C ATOM 1414 OG1 THR A 82 1.579 -17.004 5.706 1.00 4.30 O ATOM 1415 CG2 THR A 82 3.210 -15.544 6.744 1.00 4.27 C ATOM 0 H THR A 82 5.082 -17.359 7.966 1.00 1.83 H new ATOM 0 HA THR A 82 2.721 -18.932 7.227 1.00 2.56 H new ATOM 0 HB THR A 82 1.773 -16.767 7.748 1.00 3.57 H new ATOM 0 HG1 THR A 82 2.111 -17.385 4.976 1.00 4.30 H new ATOM 0 HG21 THR A 82 2.529 -14.703 6.616 1.00 4.27 H new ATOM 0 HG22 THR A 82 3.802 -15.397 7.648 1.00 4.27 H new ATOM 0 HG23 THR A 82 3.874 -15.608 5.882 1.00 4.27 H new ATOM 1423 N GLU A 83 5.307 -18.985 5.980 1.00 1.53 N ATOM 1424 CA GLU A 83 6.284 -19.214 4.919 1.00 1.50 C ATOM 1425 C GLU A 83 6.848 -17.891 4.406 1.00 1.17 C ATOM 1426 O GLU A 83 6.767 -16.865 5.089 1.00 1.67 O ATOM 1427 CB GLU A 83 5.658 -20.018 3.775 1.00 2.09 C ATOM 1428 CG GLU A 83 5.813 -21.525 3.915 1.00 2.50 C ATOM 1429 CD GLU A 83 5.166 -22.073 5.169 1.00 2.97 C ATOM 1430 OE1 GLU A 83 3.955 -22.368 5.139 1.00 3.64 O ATOM 1431 OE2 GLU A 83 5.867 -22.215 6.192 1.00 3.25 O ATOM 0 H GLU A 83 5.565 -19.401 6.875 1.00 1.53 H new ATOM 0 HA GLU A 83 7.108 -19.794 5.334 1.00 1.50 H new ATOM 0 HB2 GLU A 83 4.597 -19.777 3.715 1.00 2.09 H new ATOM 0 HB3 GLU A 83 6.110 -19.703 2.835 1.00 2.09 H new ATOM 0 HG2 GLU A 83 5.374 -22.012 3.044 1.00 2.50 H new ATOM 0 HG3 GLU A 83 6.874 -21.777 3.921 1.00 2.50 H new ATOM 1438 N ALA A 84 7.445 -17.916 3.223 1.00 1.00 N ATOM 1439 CA ALA A 84 7.969 -16.706 2.616 1.00 0.89 C ATOM 1440 C ALA A 84 6.860 -15.971 1.877 1.00 0.77 C ATOM 1441 O ALA A 84 5.751 -16.489 1.732 1.00 0.92 O ATOM 1442 CB ALA A 84 9.114 -17.037 1.672 1.00 1.27 C ATOM 0 H ALA A 84 7.577 -18.761 2.667 1.00 1.00 H new ATOM 0 HA ALA A 84 8.354 -16.057 3.402 1.00 0.89 H new ATOM 0 HB1 ALA A 84 9.495 -16.118 1.226 1.00 1.27 H new ATOM 0 HB2 ALA A 84 9.913 -17.529 2.227 1.00 1.27 H new ATOM 0 HB3 ALA A 84 8.756 -17.701 0.885 1.00 1.27 H new ATOM 1448 N PHE A 85 7.155 -14.770 1.412 1.00 0.63 N ATOM 1449 CA PHE A 85 6.182 -13.984 0.677 1.00 0.53 C ATOM 1450 C PHE A 85 6.894 -13.014 -0.258 1.00 0.51 C ATOM 1451 O PHE A 85 8.023 -12.599 0.012 1.00 0.58 O ATOM 1452 CB PHE A 85 5.246 -13.238 1.641 1.00 0.50 C ATOM 1453 CG PHE A 85 5.839 -12.021 2.292 1.00 0.50 C ATOM 1454 CD1 PHE A 85 6.782 -12.135 3.303 1.00 1.08 C ATOM 1455 CD2 PHE A 85 5.434 -10.757 1.899 1.00 1.33 C ATOM 1456 CE1 PHE A 85 7.309 -11.006 3.905 1.00 1.09 C ATOM 1457 CE2 PHE A 85 5.956 -9.628 2.494 1.00 1.38 C ATOM 1458 CZ PHE A 85 6.895 -9.751 3.498 1.00 0.62 C ATOM 0 H PHE A 85 8.062 -14.318 1.531 1.00 0.63 H new ATOM 0 HA PHE A 85 5.570 -14.655 0.075 1.00 0.53 H new ATOM 0 HB2 PHE A 85 4.351 -12.939 1.095 1.00 0.50 H new ATOM 0 HB3 PHE A 85 4.928 -13.929 2.421 1.00 0.50 H new ATOM 0 HD1 PHE A 85 7.108 -13.114 3.623 1.00 1.08 H new ATOM 0 HD2 PHE A 85 4.698 -10.654 1.115 1.00 1.33 H new ATOM 0 HE1 PHE A 85 8.043 -11.105 4.691 1.00 1.09 H new ATOM 0 HE2 PHE A 85 5.631 -8.649 2.175 1.00 1.38 H new ATOM 0 HZ PHE A 85 7.306 -8.868 3.965 1.00 0.62 H new ATOM 1468 N TYR A 86 6.246 -12.673 -1.360 1.00 0.49 N ATOM 1469 CA TYR A 86 6.836 -11.775 -2.342 1.00 0.55 C ATOM 1470 C TYR A 86 6.185 -10.407 -2.299 1.00 0.53 C ATOM 1471 O TYR A 86 4.968 -10.287 -2.166 1.00 0.48 O ATOM 1472 CB TYR A 86 6.731 -12.359 -3.750 1.00 0.65 C ATOM 1473 CG TYR A 86 7.730 -13.460 -4.015 1.00 0.96 C ATOM 1474 CD1 TYR A 86 9.071 -13.161 -4.219 1.00 1.96 C ATOM 1475 CD2 TYR A 86 7.338 -14.791 -4.059 1.00 1.54 C ATOM 1476 CE1 TYR A 86 9.992 -14.158 -4.461 1.00 2.64 C ATOM 1477 CE2 TYR A 86 8.256 -15.793 -4.300 1.00 2.12 C ATOM 1478 CZ TYR A 86 9.580 -15.471 -4.500 1.00 2.49 C ATOM 1479 OH TYR A 86 10.496 -16.469 -4.738 1.00 3.30 O ATOM 0 H TYR A 86 5.311 -13.004 -1.598 1.00 0.49 H new ATOM 0 HA TYR A 86 7.890 -11.662 -2.087 1.00 0.55 H new ATOM 0 HB2 TYR A 86 5.724 -12.748 -3.901 1.00 0.65 H new ATOM 0 HB3 TYR A 86 6.877 -11.562 -4.479 1.00 0.65 H new ATOM 0 HD1 TYR A 86 9.397 -12.132 -4.188 1.00 1.96 H new ATOM 0 HD2 TYR A 86 6.300 -15.046 -3.902 1.00 1.54 H new ATOM 0 HE1 TYR A 86 11.031 -13.910 -4.619 1.00 2.64 H new ATOM 0 HE2 TYR A 86 7.938 -16.825 -4.332 1.00 2.12 H new ATOM 0 HH TYR A 86 10.042 -17.338 -4.732 1.00 3.30 H new ATOM 1489 N LEU A 87 7.012 -9.382 -2.423 1.00 0.62 N ATOM 1490 CA LEU A 87 6.555 -8.006 -2.375 1.00 0.63 C ATOM 1491 C LEU A 87 6.772 -7.352 -3.739 1.00 0.67 C ATOM 1492 O LEU A 87 7.908 -7.176 -4.177 1.00 0.91 O ATOM 1493 CB LEU A 87 7.321 -7.253 -1.272 1.00 0.81 C ATOM 1494 CG LEU A 87 6.758 -5.888 -0.840 1.00 0.83 C ATOM 1495 CD1 LEU A 87 6.909 -4.852 -1.938 1.00 1.44 C ATOM 1496 CD2 LEU A 87 5.300 -6.014 -0.429 1.00 1.56 C ATOM 0 H LEU A 87 8.018 -9.482 -2.560 1.00 0.62 H new ATOM 0 HA LEU A 87 5.491 -7.971 -2.142 1.00 0.63 H new ATOM 0 HB2 LEU A 87 7.366 -7.895 -0.392 1.00 0.81 H new ATOM 0 HB3 LEU A 87 8.346 -7.105 -1.612 1.00 0.81 H new ATOM 0 HG LEU A 87 7.337 -5.551 0.020 1.00 0.83 H new ATOM 0 HD11 LEU A 87 6.501 -3.900 -1.599 1.00 1.44 H new ATOM 0 HD12 LEU A 87 7.965 -4.729 -2.179 1.00 1.44 H new ATOM 0 HD13 LEU A 87 6.370 -5.182 -2.826 1.00 1.44 H new ATOM 0 HD21 LEU A 87 4.921 -5.037 -0.127 1.00 1.56 H new ATOM 0 HD22 LEU A 87 4.716 -6.385 -1.271 1.00 1.56 H new ATOM 0 HD23 LEU A 87 5.216 -6.710 0.406 1.00 1.56 H new ATOM 1508 N LEU A 88 5.681 -7.008 -4.405 1.00 0.52 N ATOM 1509 CA LEU A 88 5.745 -6.364 -5.709 1.00 0.60 C ATOM 1510 C LEU A 88 5.438 -4.879 -5.575 1.00 0.69 C ATOM 1511 O LEU A 88 4.607 -4.478 -4.760 1.00 0.75 O ATOM 1512 CB LEU A 88 4.755 -7.005 -6.697 1.00 0.63 C ATOM 1513 CG LEU A 88 5.072 -8.441 -7.137 1.00 0.70 C ATOM 1514 CD1 LEU A 88 4.772 -9.440 -6.028 1.00 1.54 C ATOM 1515 CD2 LEU A 88 4.290 -8.792 -8.393 1.00 1.48 C ATOM 0 H LEU A 88 4.734 -7.165 -4.061 1.00 0.52 H new ATOM 0 HA LEU A 88 6.755 -6.496 -6.097 1.00 0.60 H new ATOM 0 HB2 LEU A 88 3.764 -6.996 -6.243 1.00 0.63 H new ATOM 0 HB3 LEU A 88 4.704 -6.377 -7.587 1.00 0.63 H new ATOM 0 HG LEU A 88 6.138 -8.497 -7.357 1.00 0.70 H new ATOM 0 HD11 LEU A 88 5.007 -10.447 -6.372 1.00 1.54 H new ATOM 0 HD12 LEU A 88 5.378 -9.205 -5.153 1.00 1.54 H new ATOM 0 HD13 LEU A 88 3.716 -9.384 -5.764 1.00 1.54 H new ATOM 0 HD21 LEU A 88 4.524 -9.813 -8.694 1.00 1.48 H new ATOM 0 HD22 LEU A 88 3.222 -8.709 -8.192 1.00 1.48 H new ATOM 0 HD23 LEU A 88 4.562 -8.106 -9.195 1.00 1.48 H new ATOM 1527 N VAL A 89 6.097 -4.064 -6.384 1.00 0.78 N ATOM 1528 CA VAL A 89 5.890 -2.625 -6.344 1.00 0.93 C ATOM 1529 C VAL A 89 5.013 -2.186 -7.511 1.00 1.07 C ATOM 1530 O VAL A 89 5.365 -2.390 -8.678 1.00 1.19 O ATOM 1531 CB VAL A 89 7.226 -1.855 -6.391 1.00 1.10 C ATOM 1532 CG1 VAL A 89 6.990 -0.361 -6.230 1.00 1.31 C ATOM 1533 CG2 VAL A 89 8.180 -2.364 -5.319 1.00 1.11 C ATOM 0 H VAL A 89 6.779 -4.374 -7.076 1.00 0.78 H new ATOM 0 HA VAL A 89 5.394 -2.393 -5.401 1.00 0.93 H new ATOM 0 HB VAL A 89 7.683 -2.027 -7.365 1.00 1.10 H new ATOM 0 HG11 VAL A 89 7.945 0.164 -6.266 1.00 1.31 H new ATOM 0 HG12 VAL A 89 6.349 -0.005 -7.037 1.00 1.31 H new ATOM 0 HG13 VAL A 89 6.507 -0.170 -5.272 1.00 1.31 H new ATOM 0 HG21 VAL A 89 9.116 -1.807 -5.370 1.00 1.11 H new ATOM 0 HG22 VAL A 89 7.729 -2.227 -4.336 1.00 1.11 H new ATOM 0 HG23 VAL A 89 8.379 -3.423 -5.482 1.00 1.11 H new ATOM 1543 N ASN A 90 3.858 -1.615 -7.166 1.00 1.13 N ATOM 1544 CA ASN A 90 2.870 -1.127 -8.133 1.00 1.36 C ATOM 1545 C ASN A 90 2.475 -2.229 -9.118 1.00 1.43 C ATOM 1546 O ASN A 90 2.169 -1.965 -10.279 1.00 1.64 O ATOM 1547 CB ASN A 90 3.405 0.108 -8.873 1.00 1.58 C ATOM 1548 CG ASN A 90 2.298 0.938 -9.504 1.00 1.62 C ATOM 1549 OD1 ASN A 90 1.944 0.755 -10.669 1.00 2.22 O ATOM 1550 ND2 ASN A 90 1.747 1.869 -8.737 1.00 1.89 N ATOM 0 H ASN A 90 3.578 -1.476 -6.195 1.00 1.13 H new ATOM 0 HA ASN A 90 1.974 -0.835 -7.586 1.00 1.36 H new ATOM 0 HB2 ASN A 90 3.967 0.729 -8.176 1.00 1.58 H new ATOM 0 HB3 ASN A 90 4.101 -0.211 -9.648 1.00 1.58 H new ATOM 0 HD21 ASN A 90 1.004 2.462 -9.108 1.00 1.89 H new ATOM 0 HD22 ASN A 90 2.066 1.992 -7.776 1.00 1.89 H new ATOM 1557 N ASN A 91 2.494 -3.472 -8.633 1.00 1.31 N ATOM 1558 CA ASN A 91 2.162 -4.648 -9.446 1.00 1.48 C ATOM 1559 C ASN A 91 3.007 -4.716 -10.717 1.00 1.59 C ATOM 1560 O ASN A 91 2.611 -5.340 -11.700 1.00 1.80 O ATOM 1561 CB ASN A 91 0.675 -4.660 -9.822 1.00 1.73 C ATOM 1562 CG ASN A 91 -0.232 -4.868 -8.629 1.00 2.02 C ATOM 1563 OD1 ASN A 91 -0.505 -6.004 -8.237 1.00 2.53 O ATOM 1564 ND2 ASN A 91 -0.731 -3.779 -8.060 1.00 2.31 N ATOM 0 H ASN A 91 2.739 -3.694 -7.668 1.00 1.31 H new ATOM 0 HA ASN A 91 2.384 -5.523 -8.835 1.00 1.48 H new ATOM 0 HB2 ASN A 91 0.420 -3.717 -10.306 1.00 1.73 H new ATOM 0 HB3 ASN A 91 0.496 -5.451 -10.551 1.00 1.73 H new ATOM 0 HD21 ASN A 91 -1.367 -3.864 -7.267 1.00 2.31 H new ATOM 0 HD22 ASN A 91 -0.479 -2.857 -8.416 1.00 2.31 H new ATOM 1571 N LYS A 92 4.167 -4.078 -10.699 1.00 1.53 N ATOM 1572 CA LYS A 92 5.016 -4.031 -11.876 1.00 1.72 C ATOM 1573 C LYS A 92 6.321 -4.774 -11.639 1.00 1.45 C ATOM 1574 O LYS A 92 6.592 -5.791 -12.277 1.00 1.47 O ATOM 1575 CB LYS A 92 5.303 -2.578 -12.268 1.00 2.06 C ATOM 1576 CG LYS A 92 6.152 -2.446 -13.523 1.00 2.55 C ATOM 1577 CD LYS A 92 6.451 -0.994 -13.851 1.00 3.00 C ATOM 1578 CE LYS A 92 7.350 -0.871 -15.071 1.00 3.63 C ATOM 1579 NZ LYS A 92 6.717 -1.430 -16.295 1.00 3.95 N ATOM 0 H LYS A 92 4.540 -3.588 -9.886 1.00 1.53 H new ATOM 0 HA LYS A 92 4.486 -4.522 -12.692 1.00 1.72 H new ATOM 0 HB2 LYS A 92 4.358 -2.058 -12.422 1.00 2.06 H new ATOM 0 HB3 LYS A 92 5.810 -2.080 -11.442 1.00 2.06 H new ATOM 0 HG2 LYS A 92 7.088 -2.988 -13.388 1.00 2.55 H new ATOM 0 HG3 LYS A 92 5.634 -2.909 -14.363 1.00 2.55 H new ATOM 0 HD2 LYS A 92 5.517 -0.461 -14.031 1.00 3.00 H new ATOM 0 HD3 LYS A 92 6.930 -0.518 -12.995 1.00 3.00 H new ATOM 0 HE2 LYS A 92 7.593 0.179 -15.237 1.00 3.63 H new ATOM 0 HE3 LYS A 92 8.290 -1.389 -14.881 1.00 3.63 H new ATOM 0 HZ1 LYS A 92 7.286 -1.175 -17.127 1.00 3.95 H new ATOM 0 HZ2 LYS A 92 6.663 -2.466 -16.216 1.00 3.95 H new ATOM 0 HZ3 LYS A 92 5.758 -1.040 -16.399 1.00 3.95 H new ATOM 1593 N SER A 93 7.126 -4.280 -10.711 1.00 1.35 N ATOM 1594 CA SER A 93 8.454 -4.831 -10.508 1.00 1.32 C ATOM 1595 C SER A 93 8.712 -5.152 -9.042 1.00 0.95 C ATOM 1596 O SER A 93 8.171 -4.501 -8.149 1.00 0.79 O ATOM 1597 CB SER A 93 9.505 -3.850 -11.026 1.00 1.67 C ATOM 1598 OG SER A 93 9.289 -3.558 -12.397 1.00 2.32 O ATOM 0 H SER A 93 6.885 -3.506 -10.092 1.00 1.35 H new ATOM 0 HA SER A 93 8.520 -5.765 -11.066 1.00 1.32 H new ATOM 0 HB2 SER A 93 9.468 -2.930 -10.443 1.00 1.67 H new ATOM 0 HB3 SER A 93 10.501 -4.273 -10.892 1.00 1.67 H new ATOM 0 HG SER A 93 9.971 -2.927 -12.709 1.00 2.32 H new ATOM 1604 N LEU A 94 9.533 -6.165 -8.809 1.00 0.99 N ATOM 1605 CA LEU A 94 9.925 -6.548 -7.460 1.00 0.89 C ATOM 1606 C LEU A 94 11.423 -6.809 -7.412 1.00 1.29 C ATOM 1607 O LEU A 94 11.902 -7.660 -6.667 1.00 1.99 O ATOM 1608 CB LEU A 94 9.154 -7.795 -6.988 1.00 1.28 C ATOM 1609 CG LEU A 94 9.359 -9.072 -7.818 1.00 1.37 C ATOM 1610 CD1 LEU A 94 9.018 -10.299 -6.988 1.00 1.82 C ATOM 1611 CD2 LEU A 94 8.499 -9.049 -9.075 1.00 2.04 C ATOM 0 H LEU A 94 9.944 -6.741 -9.543 1.00 0.99 H new ATOM 0 HA LEU A 94 9.679 -5.727 -6.787 1.00 0.89 H new ATOM 0 HB2 LEU A 94 9.441 -8.006 -5.958 1.00 1.28 H new ATOM 0 HB3 LEU A 94 8.090 -7.558 -6.981 1.00 1.28 H new ATOM 0 HG LEU A 94 10.407 -9.116 -8.114 1.00 1.37 H new ATOM 0 HD11 LEU A 94 9.167 -11.197 -7.588 1.00 1.82 H new ATOM 0 HD12 LEU A 94 9.665 -10.336 -6.111 1.00 1.82 H new ATOM 0 HD13 LEU A 94 7.977 -10.245 -6.669 1.00 1.82 H new ATOM 0 HD21 LEU A 94 8.663 -9.964 -9.645 1.00 2.04 H new ATOM 0 HD22 LEU A 94 7.448 -8.979 -8.795 1.00 2.04 H new ATOM 0 HD23 LEU A 94 8.770 -8.188 -9.686 1.00 2.04 H new ATOM 1623 N VAL A 95 12.156 -6.059 -8.217 1.00 1.62 N ATOM 1624 CA VAL A 95 13.590 -6.275 -8.363 1.00 2.26 C ATOM 1625 C VAL A 95 14.408 -5.178 -7.687 1.00 1.64 C ATOM 1626 O VAL A 95 15.602 -5.347 -7.449 1.00 1.76 O ATOM 1627 CB VAL A 95 13.997 -6.370 -9.848 1.00 3.39 C ATOM 1628 CG1 VAL A 95 13.332 -7.569 -10.503 1.00 4.29 C ATOM 1629 CG2 VAL A 95 13.645 -5.090 -10.593 1.00 3.92 C ATOM 0 H VAL A 95 11.784 -5.294 -8.781 1.00 1.62 H new ATOM 0 HA VAL A 95 13.807 -7.222 -7.869 1.00 2.26 H new ATOM 0 HB VAL A 95 15.078 -6.501 -9.897 1.00 3.39 H new ATOM 0 HG11 VAL A 95 13.629 -7.623 -11.550 1.00 4.29 H new ATOM 0 HG12 VAL A 95 13.640 -8.481 -9.991 1.00 4.29 H new ATOM 0 HG13 VAL A 95 12.249 -7.465 -10.438 1.00 4.29 H new ATOM 0 HG21 VAL A 95 13.942 -5.183 -11.637 1.00 3.92 H new ATOM 0 HG22 VAL A 95 12.570 -4.920 -10.536 1.00 3.92 H new ATOM 0 HG23 VAL A 95 14.170 -4.249 -10.140 1.00 3.92 H new ATOM 1639 N SER A 96 13.770 -4.056 -7.377 1.00 1.30 N ATOM 1640 CA SER A 96 14.467 -2.946 -6.746 1.00 0.98 C ATOM 1641 C SER A 96 14.699 -3.243 -5.265 1.00 0.84 C ATOM 1642 O SER A 96 13.898 -2.876 -4.411 1.00 0.92 O ATOM 1643 CB SER A 96 13.651 -1.663 -6.917 1.00 1.28 C ATOM 1644 OG SER A 96 13.292 -1.465 -8.279 1.00 1.90 O ATOM 0 H SER A 96 12.778 -3.893 -7.551 1.00 1.30 H new ATOM 0 HA SER A 96 15.438 -2.812 -7.224 1.00 0.98 H new ATOM 0 HB2 SER A 96 12.751 -1.716 -6.304 1.00 1.28 H new ATOM 0 HB3 SER A 96 14.229 -0.810 -6.562 1.00 1.28 H new ATOM 0 HG SER A 96 12.770 -0.640 -8.363 1.00 1.90 H new ATOM 1650 N MET A 97 15.808 -3.912 -4.980 1.00 0.90 N ATOM 1651 CA MET A 97 16.137 -4.320 -3.619 1.00 0.98 C ATOM 1652 C MET A 97 17.006 -3.279 -2.922 1.00 0.85 C ATOM 1653 O MET A 97 16.938 -3.114 -1.705 1.00 1.03 O ATOM 1654 CB MET A 97 16.836 -5.687 -3.633 1.00 1.25 C ATOM 1655 CG MET A 97 18.141 -5.710 -4.414 1.00 1.56 C ATOM 1656 SD MET A 97 18.806 -7.377 -4.623 1.00 2.24 S ATOM 1657 CE MET A 97 19.014 -7.883 -2.917 1.00 2.85 C ATOM 0 H MET A 97 16.500 -4.186 -5.678 1.00 0.90 H new ATOM 0 HA MET A 97 15.208 -4.404 -3.055 1.00 0.98 H new ATOM 0 HB2 MET A 97 17.035 -5.992 -2.606 1.00 1.25 H new ATOM 0 HB3 MET A 97 16.157 -6.426 -4.059 1.00 1.25 H new ATOM 0 HG2 MET A 97 17.979 -5.263 -5.395 1.00 1.56 H new ATOM 0 HG3 MET A 97 18.877 -5.092 -3.900 1.00 1.56 H new ATOM 0 HE1 MET A 97 19.624 -8.786 -2.877 1.00 2.85 H new ATOM 0 HE2 MET A 97 19.507 -7.087 -2.359 1.00 2.85 H new ATOM 0 HE3 MET A 97 18.038 -8.085 -2.476 1.00 2.85 H new ATOM 1667 N SER A 98 17.806 -2.566 -3.697 1.00 0.68 N ATOM 1668 CA SER A 98 18.737 -1.595 -3.141 1.00 0.71 C ATOM 1669 C SER A 98 18.216 -0.172 -3.323 1.00 0.61 C ATOM 1670 O SER A 98 18.911 0.804 -3.036 1.00 0.71 O ATOM 1671 CB SER A 98 20.111 -1.759 -3.795 1.00 0.83 C ATOM 1672 OG SER A 98 19.996 -1.829 -5.208 1.00 1.60 O ATOM 0 H SER A 98 17.830 -2.640 -4.714 1.00 0.68 H new ATOM 0 HA SER A 98 18.833 -1.777 -2.071 1.00 0.71 H new ATOM 0 HB2 SER A 98 20.751 -0.921 -3.520 1.00 0.83 H new ATOM 0 HB3 SER A 98 20.591 -2.663 -3.420 1.00 0.83 H new ATOM 0 HG SER A 98 20.887 -1.932 -5.604 1.00 1.60 H new ATOM 1678 N ALA A 99 16.982 -0.064 -3.790 1.00 0.49 N ATOM 1679 CA ALA A 99 16.360 1.231 -4.013 1.00 0.46 C ATOM 1680 C ALA A 99 15.803 1.788 -2.708 1.00 0.43 C ATOM 1681 O ALA A 99 15.426 1.032 -1.812 1.00 0.44 O ATOM 1682 CB ALA A 99 15.259 1.109 -5.054 1.00 0.51 C ATOM 0 H ALA A 99 16.390 -0.861 -4.023 1.00 0.49 H new ATOM 0 HA ALA A 99 17.116 1.923 -4.384 1.00 0.46 H new ATOM 0 HB1 ALA A 99 14.800 2.084 -5.214 1.00 0.51 H new ATOM 0 HB2 ALA A 99 15.683 0.750 -5.992 1.00 0.51 H new ATOM 0 HB3 ALA A 99 14.504 0.405 -4.704 1.00 0.51 H new ATOM 1688 N THR A 100 15.780 3.104 -2.596 1.00 0.42 N ATOM 1689 CA THR A 100 15.211 3.754 -1.428 1.00 0.41 C ATOM 1690 C THR A 100 13.755 4.104 -1.675 1.00 0.41 C ATOM 1691 O THR A 100 13.329 4.217 -2.827 1.00 0.40 O ATOM 1692 CB THR A 100 15.977 5.042 -1.065 1.00 0.41 C ATOM 1693 OG1 THR A 100 16.000 5.931 -2.192 1.00 0.38 O ATOM 1694 CG2 THR A 100 17.398 4.726 -0.630 1.00 0.47 C ATOM 0 H THR A 100 16.149 3.744 -3.299 1.00 0.42 H new ATOM 0 HA THR A 100 15.291 3.052 -0.598 1.00 0.41 H new ATOM 0 HB THR A 100 15.462 5.523 -0.233 1.00 0.41 H new ATOM 0 HG1 THR A 100 16.567 5.552 -2.896 1.00 0.38 H new ATOM 0 HG21 THR A 100 17.916 5.652 -0.380 1.00 0.47 H new ATOM 0 HG22 THR A 100 17.375 4.075 0.244 1.00 0.47 H new ATOM 0 HG23 THR A 100 17.924 4.224 -1.442 1.00 0.47 H new ATOM 1702 N MET A 101 12.993 4.282 -0.603 1.00 0.43 N ATOM 1703 CA MET A 101 11.601 4.702 -0.717 1.00 0.45 C ATOM 1704 C MET A 101 11.503 6.028 -1.456 1.00 0.39 C ATOM 1705 O MET A 101 10.525 6.291 -2.153 1.00 0.39 O ATOM 1706 CB MET A 101 10.953 4.813 0.664 1.00 0.54 C ATOM 1707 CG MET A 101 10.356 3.511 1.187 1.00 0.71 C ATOM 1708 SD MET A 101 11.497 2.113 1.138 1.00 1.18 S ATOM 1709 CE MET A 101 11.132 1.414 -0.474 1.00 0.89 C ATOM 0 H MET A 101 13.315 4.142 0.355 1.00 0.43 H new ATOM 0 HA MET A 101 11.063 3.945 -1.288 1.00 0.45 H new ATOM 0 HB2 MET A 101 11.700 5.167 1.375 1.00 0.54 H new ATOM 0 HB3 MET A 101 10.168 5.568 0.624 1.00 0.54 H new ATOM 0 HG2 MET A 101 10.025 3.661 2.214 1.00 0.71 H new ATOM 0 HG3 MET A 101 9.471 3.266 0.599 1.00 0.71 H new ATOM 0 HE1 MET A 101 10.547 0.503 -0.351 1.00 0.89 H new ATOM 0 HE2 MET A 101 10.563 2.134 -1.063 1.00 0.89 H new ATOM 0 HE3 MET A 101 12.064 1.180 -0.989 1.00 0.89 H new ATOM 1719 N ALA A 102 12.538 6.851 -1.316 1.00 0.38 N ATOM 1720 CA ALA A 102 12.612 8.120 -2.021 1.00 0.37 C ATOM 1721 C ALA A 102 12.539 7.906 -3.527 1.00 0.35 C ATOM 1722 O ALA A 102 11.715 8.514 -4.212 1.00 0.39 O ATOM 1723 CB ALA A 102 13.895 8.845 -1.655 1.00 0.37 C ATOM 0 H ALA A 102 13.340 6.657 -0.716 1.00 0.38 H new ATOM 0 HA ALA A 102 11.761 8.731 -1.721 1.00 0.37 H new ATOM 0 HB1 ALA A 102 13.941 9.795 -2.188 1.00 0.37 H new ATOM 0 HB2 ALA A 102 13.914 9.031 -0.581 1.00 0.37 H new ATOM 0 HB3 ALA A 102 14.752 8.231 -1.933 1.00 0.37 H new ATOM 1729 N GLU A 103 13.397 7.024 -4.028 1.00 0.34 N ATOM 1730 CA GLU A 103 13.435 6.704 -5.452 1.00 0.36 C ATOM 1731 C GLU A 103 12.160 5.987 -5.874 1.00 0.37 C ATOM 1732 O GLU A 103 11.601 6.251 -6.941 1.00 0.39 O ATOM 1733 CB GLU A 103 14.644 5.822 -5.747 1.00 0.39 C ATOM 1734 CG GLU A 103 15.944 6.419 -5.249 1.00 0.40 C ATOM 1735 CD GLU A 103 17.081 5.425 -5.251 1.00 0.43 C ATOM 1736 OE1 GLU A 103 17.228 4.688 -4.253 1.00 0.46 O ATOM 1737 OE2 GLU A 103 17.837 5.372 -6.244 1.00 0.53 O ATOM 0 H GLU A 103 14.079 6.515 -3.466 1.00 0.34 H new ATOM 0 HA GLU A 103 13.514 7.633 -6.017 1.00 0.36 H new ATOM 0 HB2 GLU A 103 14.497 4.846 -5.284 1.00 0.39 H new ATOM 0 HB3 GLU A 103 14.714 5.657 -6.822 1.00 0.39 H new ATOM 0 HG2 GLU A 103 16.211 7.271 -5.874 1.00 0.40 H new ATOM 0 HG3 GLU A 103 15.801 6.799 -4.237 1.00 0.40 H new ATOM 1744 N ILE A 104 11.709 5.076 -5.023 1.00 0.36 N ATOM 1745 CA ILE A 104 10.501 4.306 -5.291 1.00 0.37 C ATOM 1746 C ILE A 104 9.287 5.220 -5.448 1.00 0.36 C ATOM 1747 O ILE A 104 8.520 5.074 -6.390 1.00 0.38 O ATOM 1748 CB ILE A 104 10.230 3.260 -4.185 1.00 0.38 C ATOM 1749 CG1 ILE A 104 11.360 2.225 -4.125 1.00 0.41 C ATOM 1750 CG2 ILE A 104 8.892 2.569 -4.413 1.00 0.39 C ATOM 1751 CD1 ILE A 104 11.542 1.439 -5.408 1.00 0.45 C ATOM 0 H ILE A 104 12.163 4.851 -4.138 1.00 0.36 H new ATOM 0 HA ILE A 104 10.667 3.776 -6.229 1.00 0.37 H new ATOM 0 HB ILE A 104 10.191 3.783 -3.230 1.00 0.38 H new ATOM 0 HG12 ILE A 104 12.294 2.734 -3.887 1.00 0.41 H new ATOM 0 HG13 ILE A 104 11.160 1.530 -3.310 1.00 0.41 H new ATOM 0 HG21 ILE A 104 8.721 1.837 -3.624 1.00 0.39 H new ATOM 0 HG22 ILE A 104 8.093 3.310 -4.400 1.00 0.39 H new ATOM 0 HG23 ILE A 104 8.903 2.065 -5.379 1.00 0.39 H new ATOM 0 HD11 ILE A 104 12.359 0.728 -5.286 1.00 0.45 H new ATOM 0 HD12 ILE A 104 10.623 0.900 -5.638 1.00 0.45 H new ATOM 0 HD13 ILE A 104 11.775 2.123 -6.224 1.00 0.45 H new ATOM 1763 N TYR A 105 9.128 6.172 -4.534 1.00 0.36 N ATOM 1764 CA TYR A 105 8.021 7.125 -4.612 1.00 0.39 C ATOM 1765 C TYR A 105 8.096 7.938 -5.896 1.00 0.41 C ATOM 1766 O TYR A 105 7.100 8.089 -6.608 1.00 0.44 O ATOM 1767 CB TYR A 105 8.035 8.061 -3.399 1.00 0.42 C ATOM 1768 CG TYR A 105 7.107 9.254 -3.531 1.00 0.48 C ATOM 1769 CD1 TYR A 105 5.726 9.095 -3.533 1.00 1.45 C ATOM 1770 CD2 TYR A 105 7.616 10.540 -3.661 1.00 1.12 C ATOM 1771 CE1 TYR A 105 4.882 10.181 -3.663 1.00 1.56 C ATOM 1772 CE2 TYR A 105 6.778 11.632 -3.788 1.00 1.11 C ATOM 1773 CZ TYR A 105 5.412 11.446 -3.790 1.00 0.71 C ATOM 1774 OH TYR A 105 4.574 12.533 -3.926 1.00 0.86 O ATOM 0 H TYR A 105 9.747 6.306 -3.734 1.00 0.36 H new ATOM 0 HA TYR A 105 7.089 6.560 -4.613 1.00 0.39 H new ATOM 0 HB2 TYR A 105 7.756 7.493 -2.511 1.00 0.42 H new ATOM 0 HB3 TYR A 105 9.052 8.420 -3.242 1.00 0.42 H new ATOM 0 HD1 TYR A 105 5.306 8.105 -3.431 1.00 1.45 H new ATOM 0 HD2 TYR A 105 8.686 10.689 -3.663 1.00 1.12 H new ATOM 0 HE1 TYR A 105 3.811 10.039 -3.665 1.00 1.56 H new ATOM 0 HE2 TYR A 105 7.191 12.625 -3.885 1.00 1.11 H new ATOM 0 HH TYR A 105 5.109 13.351 -4.003 1.00 0.86 H new ATOM 1784 N ARG A 106 9.288 8.438 -6.195 1.00 0.44 N ATOM 1785 CA ARG A 106 9.501 9.301 -7.350 1.00 0.50 C ATOM 1786 C ARG A 106 9.131 8.607 -8.657 1.00 0.51 C ATOM 1787 O ARG A 106 8.789 9.268 -9.638 1.00 0.58 O ATOM 1788 CB ARG A 106 10.957 9.761 -7.401 1.00 0.56 C ATOM 1789 CG ARG A 106 11.311 10.791 -6.341 1.00 1.25 C ATOM 1790 CD ARG A 106 12.809 11.034 -6.276 1.00 1.75 C ATOM 1791 NE ARG A 106 13.365 11.421 -7.572 1.00 2.50 N ATOM 1792 CZ ARG A 106 14.662 11.394 -7.863 1.00 3.33 C ATOM 1793 NH1 ARG A 106 15.550 11.025 -6.945 1.00 3.62 N ATOM 1794 NH2 ARG A 106 15.074 11.747 -9.073 1.00 4.23 N ATOM 0 H ARG A 106 10.130 8.258 -5.648 1.00 0.44 H new ATOM 0 HA ARG A 106 8.847 10.166 -7.237 1.00 0.50 H new ATOM 0 HB2 ARG A 106 11.607 8.894 -7.283 1.00 0.56 H new ATOM 0 HB3 ARG A 106 11.161 10.181 -8.386 1.00 0.56 H new ATOM 0 HG2 ARG A 106 10.799 11.728 -6.558 1.00 1.25 H new ATOM 0 HG3 ARG A 106 10.954 10.451 -5.369 1.00 1.25 H new ATOM 0 HD2 ARG A 106 13.017 11.816 -5.546 1.00 1.75 H new ATOM 0 HD3 ARG A 106 13.307 10.130 -5.925 1.00 1.75 H new ATOM 0 HE ARG A 106 12.718 11.731 -8.297 1.00 2.50 H new ATOM 0 HH11 ARG A 106 15.238 10.760 -6.011 1.00 3.62 H new ATOM 0 HH12 ARG A 106 16.544 11.007 -7.175 1.00 3.62 H new ATOM 0 HH21 ARG A 106 14.396 12.038 -9.778 1.00 4.23 H new ATOM 0 HH22 ARG A 106 16.068 11.727 -9.299 1.00 4.23 H new ATOM 1808 N ASP A 107 9.215 7.285 -8.684 1.00 0.50 N ATOM 1809 CA ASP A 107 8.900 6.545 -9.898 1.00 0.55 C ATOM 1810 C ASP A 107 7.523 5.892 -9.822 1.00 0.51 C ATOM 1811 O ASP A 107 6.694 6.062 -10.717 1.00 0.62 O ATOM 1812 CB ASP A 107 9.954 5.468 -10.146 1.00 0.61 C ATOM 1813 CG ASP A 107 9.875 4.891 -11.546 1.00 0.96 C ATOM 1814 OD1 ASP A 107 9.019 4.018 -11.793 1.00 1.77 O ATOM 1815 OD2 ASP A 107 10.671 5.315 -12.411 1.00 1.49 O ATOM 0 H ASP A 107 9.495 6.708 -7.891 1.00 0.50 H new ATOM 0 HA ASP A 107 8.895 7.259 -10.722 1.00 0.55 H new ATOM 0 HB2 ASP A 107 10.946 5.891 -9.986 1.00 0.61 H new ATOM 0 HB3 ASP A 107 9.828 4.666 -9.418 1.00 0.61 H new ATOM 1820 N TYR A 108 7.279 5.168 -8.740 1.00 0.41 N ATOM 1821 CA TYR A 108 6.117 4.288 -8.651 1.00 0.39 C ATOM 1822 C TYR A 108 4.939 4.918 -7.909 1.00 0.38 C ATOM 1823 O TYR A 108 4.049 4.201 -7.444 1.00 0.40 O ATOM 1824 CB TYR A 108 6.503 2.973 -7.970 1.00 0.40 C ATOM 1825 CG TYR A 108 7.642 2.241 -8.648 1.00 0.45 C ATOM 1826 CD1 TYR A 108 8.957 2.498 -8.294 1.00 1.32 C ATOM 1827 CD2 TYR A 108 7.401 1.295 -9.637 1.00 1.20 C ATOM 1828 CE1 TYR A 108 10.002 1.838 -8.903 1.00 1.36 C ATOM 1829 CE2 TYR A 108 8.444 0.628 -10.254 1.00 1.25 C ATOM 1830 CZ TYR A 108 9.743 0.905 -9.883 1.00 0.63 C ATOM 1831 OH TYR A 108 10.789 0.245 -10.493 1.00 0.75 O ATOM 0 H TYR A 108 7.870 5.171 -7.908 1.00 0.41 H new ATOM 0 HA TYR A 108 5.791 4.105 -9.675 1.00 0.39 H new ATOM 0 HB2 TYR A 108 6.781 3.179 -6.936 1.00 0.40 H new ATOM 0 HB3 TYR A 108 5.631 2.320 -7.942 1.00 0.40 H new ATOM 0 HD1 TYR A 108 9.166 3.229 -7.527 1.00 1.32 H new ATOM 0 HD2 TYR A 108 6.384 1.077 -9.928 1.00 1.20 H new ATOM 0 HE1 TYR A 108 11.020 2.051 -8.613 1.00 1.36 H new ATOM 0 HE2 TYR A 108 8.242 -0.105 -11.021 1.00 1.25 H new ATOM 0 HH TYR A 108 10.437 -0.380 -11.160 1.00 0.75 H new ATOM 1841 N LYS A 109 4.928 6.240 -7.771 1.00 0.42 N ATOM 1842 CA LYS A 109 3.744 6.918 -7.255 1.00 0.45 C ATOM 1843 C LYS A 109 2.588 6.717 -8.234 1.00 0.43 C ATOM 1844 O LYS A 109 2.718 6.991 -9.429 1.00 0.49 O ATOM 1845 CB LYS A 109 4.011 8.413 -7.030 1.00 0.55 C ATOM 1846 CG LYS A 109 4.438 9.166 -8.280 1.00 0.98 C ATOM 1847 CD LYS A 109 4.629 10.646 -7.996 1.00 0.95 C ATOM 1848 CE LYS A 109 4.979 11.408 -9.262 1.00 1.05 C ATOM 1849 NZ LYS A 109 5.187 12.857 -9.001 1.00 1.82 N ATOM 0 H LYS A 109 5.709 6.853 -8.004 1.00 0.42 H new ATOM 0 HA LYS A 109 3.483 6.488 -6.288 1.00 0.45 H new ATOM 0 HB2 LYS A 109 3.108 8.876 -6.632 1.00 0.55 H new ATOM 0 HB3 LYS A 109 4.786 8.522 -6.272 1.00 0.55 H new ATOM 0 HG2 LYS A 109 5.368 8.744 -8.661 1.00 0.98 H new ATOM 0 HG3 LYS A 109 3.687 9.037 -9.059 1.00 0.98 H new ATOM 0 HD2 LYS A 109 3.717 11.056 -7.562 1.00 0.95 H new ATOM 0 HD3 LYS A 109 5.421 10.778 -7.258 1.00 0.95 H new ATOM 0 HE2 LYS A 109 5.883 10.985 -9.701 1.00 1.05 H new ATOM 0 HE3 LYS A 109 4.180 11.282 -9.993 1.00 1.05 H new ATOM 0 HZ1 LYS A 109 5.424 13.340 -9.891 1.00 1.82 H new ATOM 0 HZ2 LYS A 109 4.317 13.267 -8.606 1.00 1.82 H new ATOM 0 HZ3 LYS A 109 5.966 12.979 -8.323 1.00 1.82 H new ATOM 1863 N ASP A 110 1.468 6.211 -7.735 1.00 0.39 N ATOM 1864 CA ASP A 110 0.357 5.838 -8.602 1.00 0.43 C ATOM 1865 C ASP A 110 -0.500 7.055 -8.951 1.00 0.50 C ATOM 1866 O ASP A 110 -0.137 8.185 -8.612 1.00 0.51 O ATOM 1867 CB ASP A 110 -0.495 4.753 -7.934 1.00 0.48 C ATOM 1868 CG ASP A 110 -1.272 3.916 -8.934 1.00 0.60 C ATOM 1869 OD1 ASP A 110 -2.412 4.286 -9.272 1.00 1.35 O ATOM 1870 OD2 ASP A 110 -0.747 2.876 -9.387 1.00 1.20 O ATOM 0 H ASP A 110 1.305 6.050 -6.741 1.00 0.39 H new ATOM 0 HA ASP A 110 0.767 5.440 -9.530 1.00 0.43 H new ATOM 0 HB2 ASP A 110 0.151 4.101 -7.346 1.00 0.48 H new ATOM 0 HB3 ASP A 110 -1.192 5.221 -7.240 1.00 0.48 H new ATOM 1875 N GLU A 111 -1.634 6.833 -9.599 1.00 0.60 N ATOM 1876 CA GLU A 111 -2.462 7.925 -10.100 1.00 0.71 C ATOM 1877 C GLU A 111 -3.000 8.792 -8.961 1.00 0.65 C ATOM 1878 O GLU A 111 -3.142 10.009 -9.107 1.00 0.74 O ATOM 1879 CB GLU A 111 -3.618 7.373 -10.944 1.00 0.87 C ATOM 1880 CG GLU A 111 -4.573 6.469 -10.178 1.00 1.94 C ATOM 1881 CD GLU A 111 -5.644 5.871 -11.062 1.00 2.43 C ATOM 1882 OE1 GLU A 111 -6.511 6.625 -11.552 1.00 2.86 O ATOM 1883 OE2 GLU A 111 -5.619 4.642 -11.287 1.00 2.97 O ATOM 0 H GLU A 111 -2.005 5.903 -9.792 1.00 0.60 H new ATOM 0 HA GLU A 111 -1.834 8.557 -10.728 1.00 0.71 H new ATOM 0 HB2 GLU A 111 -4.181 8.209 -11.360 1.00 0.87 H new ATOM 0 HB3 GLU A 111 -3.205 6.817 -11.786 1.00 0.87 H new ATOM 0 HG2 GLU A 111 -4.007 5.666 -9.706 1.00 1.94 H new ATOM 0 HG3 GLU A 111 -5.045 7.040 -9.378 1.00 1.94 H new ATOM 1890 N ASP A 112 -3.278 8.171 -7.824 1.00 0.57 N ATOM 1891 CA ASP A 112 -3.839 8.888 -6.687 1.00 0.55 C ATOM 1892 C ASP A 112 -2.740 9.529 -5.845 1.00 0.52 C ATOM 1893 O ASP A 112 -3.018 10.338 -4.963 1.00 0.56 O ATOM 1894 CB ASP A 112 -4.710 7.963 -5.831 1.00 0.59 C ATOM 1895 CG ASP A 112 -3.926 6.849 -5.173 1.00 0.58 C ATOM 1896 OD1 ASP A 112 -3.797 5.769 -5.790 1.00 0.63 O ATOM 1897 OD2 ASP A 112 -3.452 7.041 -4.036 1.00 0.77 O ATOM 0 H ASP A 112 -3.125 7.175 -7.664 1.00 0.57 H new ATOM 0 HA ASP A 112 -4.472 9.685 -7.076 1.00 0.55 H new ATOM 0 HB2 ASP A 112 -5.208 8.553 -5.061 1.00 0.59 H new ATOM 0 HB3 ASP A 112 -5.491 7.529 -6.455 1.00 0.59 H new ATOM 1902 N GLY A 113 -1.492 9.172 -6.128 1.00 0.47 N ATOM 1903 CA GLY A 113 -0.366 9.818 -5.478 1.00 0.45 C ATOM 1904 C GLY A 113 0.345 8.924 -4.481 1.00 0.36 C ATOM 1905 O GLY A 113 1.518 9.146 -4.174 1.00 0.37 O ATOM 0 H GLY A 113 -1.239 8.445 -6.797 1.00 0.47 H new ATOM 0 HA2 GLY A 113 0.346 10.142 -6.237 1.00 0.45 H new ATOM 0 HA3 GLY A 113 -0.716 10.714 -4.966 1.00 0.45 H new ATOM 1909 N PHE A 114 -0.350 7.915 -3.980 1.00 0.39 N ATOM 1910 CA PHE A 114 0.250 6.970 -3.047 1.00 0.34 C ATOM 1911 C PHE A 114 1.114 5.955 -3.787 1.00 0.34 C ATOM 1912 O PHE A 114 0.929 5.718 -4.983 1.00 0.40 O ATOM 1913 CB PHE A 114 -0.829 6.231 -2.247 1.00 0.37 C ATOM 1914 CG PHE A 114 -1.352 6.991 -1.057 1.00 0.41 C ATOM 1915 CD1 PHE A 114 -2.094 8.146 -1.220 1.00 1.03 C ATOM 1916 CD2 PHE A 114 -1.108 6.535 0.229 1.00 1.30 C ATOM 1917 CE1 PHE A 114 -2.582 8.834 -0.126 1.00 1.03 C ATOM 1918 CE2 PHE A 114 -1.590 7.222 1.328 1.00 1.35 C ATOM 1919 CZ PHE A 114 -2.329 8.373 1.149 1.00 0.54 C ATOM 0 H PHE A 114 -1.328 7.728 -4.202 1.00 0.39 H new ATOM 0 HA PHE A 114 0.875 7.539 -2.359 1.00 0.34 H new ATOM 0 HB2 PHE A 114 -1.663 6.001 -2.911 1.00 0.37 H new ATOM 0 HB3 PHE A 114 -0.422 5.279 -1.905 1.00 0.37 H new ATOM 0 HD1 PHE A 114 -2.295 8.515 -2.215 1.00 1.03 H new ATOM 0 HD2 PHE A 114 -0.534 5.632 0.374 1.00 1.30 H new ATOM 0 HE1 PHE A 114 -3.162 9.734 -0.269 1.00 1.03 H new ATOM 0 HE2 PHE A 114 -1.388 6.858 2.325 1.00 1.35 H new ATOM 0 HZ PHE A 114 -2.708 8.912 2.005 1.00 0.54 H new ATOM 1929 N VAL A 115 2.060 5.368 -3.071 1.00 0.29 N ATOM 1930 CA VAL A 115 2.872 4.293 -3.616 1.00 0.30 C ATOM 1931 C VAL A 115 2.240 2.968 -3.227 1.00 0.27 C ATOM 1932 O VAL A 115 1.770 2.817 -2.105 1.00 0.31 O ATOM 1933 CB VAL A 115 4.321 4.344 -3.091 1.00 0.37 C ATOM 1934 CG1 VAL A 115 5.196 3.325 -3.808 1.00 0.89 C ATOM 1935 CG2 VAL A 115 4.897 5.742 -3.239 1.00 1.06 C ATOM 0 H VAL A 115 2.284 5.619 -2.108 1.00 0.29 H new ATOM 0 HA VAL A 115 2.911 4.404 -4.700 1.00 0.30 H new ATOM 0 HB VAL A 115 4.304 4.090 -2.031 1.00 0.37 H new ATOM 0 HG11 VAL A 115 6.213 3.381 -3.420 1.00 0.89 H new ATOM 0 HG12 VAL A 115 4.799 2.324 -3.642 1.00 0.89 H new ATOM 0 HG13 VAL A 115 5.204 3.540 -4.877 1.00 0.89 H new ATOM 0 HG21 VAL A 115 5.920 5.756 -2.863 1.00 1.06 H new ATOM 0 HG22 VAL A 115 4.894 6.027 -4.291 1.00 1.06 H new ATOM 0 HG23 VAL A 115 4.291 6.447 -2.670 1.00 1.06 H new ATOM 1945 N TYR A 116 2.207 2.017 -4.143 1.00 0.33 N ATOM 1946 CA TYR A 116 1.506 0.770 -3.891 1.00 0.34 C ATOM 1947 C TYR A 116 2.441 -0.419 -3.873 1.00 0.38 C ATOM 1948 O TYR A 116 3.249 -0.607 -4.782 1.00 0.49 O ATOM 1949 CB TYR A 116 0.412 0.551 -4.931 1.00 0.39 C ATOM 1950 CG TYR A 116 -0.802 1.410 -4.695 1.00 0.39 C ATOM 1951 CD1 TYR A 116 -0.802 2.753 -5.040 1.00 1.19 C ATOM 1952 CD2 TYR A 116 -1.943 0.879 -4.115 1.00 1.28 C ATOM 1953 CE1 TYR A 116 -1.905 3.544 -4.813 1.00 1.19 C ATOM 1954 CE2 TYR A 116 -3.052 1.664 -3.886 1.00 1.31 C ATOM 1955 CZ TYR A 116 -3.027 2.997 -4.235 1.00 0.48 C ATOM 1956 OH TYR A 116 -4.129 3.785 -4.013 1.00 0.54 O ATOM 0 H TYR A 116 2.652 2.082 -5.059 1.00 0.33 H new ATOM 0 HA TYR A 116 1.056 0.853 -2.902 1.00 0.34 H new ATOM 0 HB2 TYR A 116 0.813 0.762 -5.922 1.00 0.39 H new ATOM 0 HB3 TYR A 116 0.116 -0.498 -4.924 1.00 0.39 H new ATOM 0 HD1 TYR A 116 0.078 3.185 -5.494 1.00 1.19 H new ATOM 0 HD2 TYR A 116 -1.963 -0.165 -3.839 1.00 1.28 H new ATOM 0 HE1 TYR A 116 -1.890 4.589 -5.087 1.00 1.19 H new ATOM 0 HE2 TYR A 116 -3.936 1.237 -3.436 1.00 1.31 H new ATOM 0 HH TYR A 116 -4.278 4.365 -4.788 1.00 0.54 H new ATOM 1966 N MET A 117 2.326 -1.209 -2.825 1.00 0.35 N ATOM 1967 CA MET A 117 3.032 -2.467 -2.732 1.00 0.39 C ATOM 1968 C MET A 117 2.039 -3.600 -2.579 1.00 0.34 C ATOM 1969 O MET A 117 1.187 -3.590 -1.686 1.00 0.45 O ATOM 1970 CB MET A 117 4.013 -2.481 -1.561 1.00 0.49 C ATOM 1971 CG MET A 117 5.358 -1.833 -1.855 1.00 0.65 C ATOM 1972 SD MET A 117 5.263 -0.054 -2.119 1.00 0.70 S ATOM 1973 CE MET A 117 7.000 0.344 -2.280 1.00 1.19 C ATOM 0 H MET A 117 1.742 -0.996 -2.017 1.00 0.35 H new ATOM 0 HA MET A 117 3.606 -2.596 -3.650 1.00 0.39 H new ATOM 0 HB2 MET A 117 3.555 -1.970 -0.714 1.00 0.49 H new ATOM 0 HB3 MET A 117 4.181 -3.514 -1.257 1.00 0.49 H new ATOM 0 HG2 MET A 117 6.036 -2.032 -1.025 1.00 0.65 H new ATOM 0 HG3 MET A 117 5.791 -2.300 -2.740 1.00 0.65 H new ATOM 0 HE1 MET A 117 7.129 1.426 -2.253 1.00 1.19 H new ATOM 0 HE2 MET A 117 7.555 -0.109 -1.458 1.00 1.19 H new ATOM 0 HE3 MET A 117 7.376 -0.042 -3.227 1.00 1.19 H new ATOM 1983 N THR A 118 2.153 -4.564 -3.456 1.00 0.34 N ATOM 1984 CA THR A 118 1.283 -5.718 -3.452 1.00 0.33 C ATOM 1985 C THR A 118 2.076 -6.925 -2.990 1.00 0.33 C ATOM 1986 O THR A 118 3.185 -7.153 -3.470 1.00 0.37 O ATOM 1987 CB THR A 118 0.739 -5.976 -4.871 1.00 0.43 C ATOM 1988 OG1 THR A 118 0.281 -4.743 -5.435 1.00 0.92 O ATOM 1989 CG2 THR A 118 -0.400 -6.988 -4.859 1.00 0.85 C ATOM 0 H THR A 118 2.854 -4.573 -4.197 1.00 0.34 H new ATOM 0 HA THR A 118 0.444 -5.539 -2.780 1.00 0.33 H new ATOM 0 HB THR A 118 1.547 -6.388 -5.475 1.00 0.43 H new ATOM 0 HG1 THR A 118 -0.673 -4.815 -5.649 1.00 0.92 H new ATOM 0 HG21 THR A 118 -0.758 -7.145 -5.876 1.00 0.85 H new ATOM 0 HG22 THR A 118 -0.043 -7.933 -4.450 1.00 0.85 H new ATOM 0 HG23 THR A 118 -1.215 -6.611 -4.241 1.00 0.85 H new ATOM 1997 N TYR A 119 1.540 -7.701 -2.066 1.00 0.35 N ATOM 1998 CA TYR A 119 2.281 -8.851 -1.584 1.00 0.41 C ATOM 1999 C TYR A 119 1.417 -10.101 -1.531 1.00 0.48 C ATOM 2000 O TYR A 119 0.224 -10.047 -1.215 1.00 0.49 O ATOM 2001 CB TYR A 119 2.939 -8.558 -0.224 1.00 0.42 C ATOM 2002 CG TYR A 119 1.994 -8.399 0.949 1.00 0.39 C ATOM 2003 CD1 TYR A 119 1.035 -7.397 0.979 1.00 1.09 C ATOM 2004 CD2 TYR A 119 2.073 -9.259 2.033 1.00 1.18 C ATOM 2005 CE1 TYR A 119 0.180 -7.260 2.058 1.00 1.15 C ATOM 2006 CE2 TYR A 119 1.221 -9.131 3.112 1.00 1.20 C ATOM 2007 CZ TYR A 119 0.277 -8.132 3.119 1.00 0.56 C ATOM 2008 OH TYR A 119 -0.575 -8.006 4.191 1.00 0.70 O ATOM 0 H TYR A 119 0.621 -7.563 -1.645 1.00 0.35 H new ATOM 0 HA TYR A 119 3.078 -9.048 -2.301 1.00 0.41 H new ATOM 0 HB2 TYR A 119 3.635 -9.366 0.002 1.00 0.42 H new ATOM 0 HB3 TYR A 119 3.528 -7.646 -0.317 1.00 0.42 H new ATOM 0 HD1 TYR A 119 0.955 -6.713 0.147 1.00 1.09 H new ATOM 0 HD2 TYR A 119 2.815 -10.044 2.034 1.00 1.18 H new ATOM 0 HE1 TYR A 119 -0.560 -6.473 2.068 1.00 1.15 H new ATOM 0 HE2 TYR A 119 1.296 -9.813 3.946 1.00 1.20 H new ATOM 0 HH TYR A 119 -0.580 -8.840 4.705 1.00 0.70 H new ATOM 2018 N ALA A 120 2.035 -11.215 -1.881 1.00 0.57 N ATOM 2019 CA ALA A 120 1.391 -12.516 -1.849 1.00 0.71 C ATOM 2020 C ALA A 120 2.313 -13.499 -1.147 1.00 0.84 C ATOM 2021 O ALA A 120 3.441 -13.135 -0.813 1.00 0.86 O ATOM 2022 CB ALA A 120 1.051 -12.986 -3.258 1.00 0.79 C ATOM 0 H ALA A 120 3.004 -11.242 -2.198 1.00 0.57 H new ATOM 0 HA ALA A 120 0.452 -12.449 -1.299 1.00 0.71 H new ATOM 0 HB1 ALA A 120 0.569 -13.963 -3.209 1.00 0.79 H new ATOM 0 HB2 ALA A 120 0.375 -12.271 -3.727 1.00 0.79 H new ATOM 0 HB3 ALA A 120 1.965 -13.061 -3.847 1.00 0.79 H new ATOM 2028 N SER A 121 1.856 -14.721 -0.917 1.00 1.00 N ATOM 2029 CA SER A 121 2.640 -15.690 -0.158 1.00 1.16 C ATOM 2030 C SER A 121 3.839 -16.219 -0.965 1.00 0.69 C ATOM 2031 O SER A 121 4.420 -15.503 -1.789 1.00 1.07 O ATOM 2032 CB SER A 121 1.735 -16.837 0.304 1.00 1.88 C ATOM 2033 OG SER A 121 1.036 -17.414 -0.785 1.00 2.69 O ATOM 0 H SER A 121 0.953 -15.066 -1.242 1.00 1.00 H new ATOM 0 HA SER A 121 3.051 -15.186 0.717 1.00 1.16 H new ATOM 0 HB2 SER A 121 2.336 -17.600 0.798 1.00 1.88 H new ATOM 0 HB3 SER A 121 1.022 -16.466 1.041 1.00 1.88 H new ATOM 0 HG SER A 121 0.172 -16.965 -0.894 1.00 2.69 H new ATOM 2039 N GLN A 122 4.212 -17.468 -0.728 1.00 1.13 N ATOM 2040 CA GLN A 122 5.385 -18.037 -1.362 1.00 1.61 C ATOM 2041 C GLN A 122 5.013 -18.699 -2.682 1.00 2.23 C ATOM 2042 O GLN A 122 4.041 -19.454 -2.766 1.00 2.63 O ATOM 2043 CB GLN A 122 6.043 -19.053 -0.425 1.00 2.34 C ATOM 2044 CG GLN A 122 7.333 -19.644 -0.969 1.00 2.78 C ATOM 2045 CD GLN A 122 7.989 -20.607 0.001 1.00 3.64 C ATOM 2046 OE1 GLN A 122 7.869 -20.461 1.221 1.00 4.18 O ATOM 2047 NE2 GLN A 122 8.699 -21.589 -0.530 1.00 4.22 N ATOM 0 H GLN A 122 3.718 -18.104 -0.102 1.00 1.13 H new ATOM 0 HA GLN A 122 6.093 -17.235 -1.569 1.00 1.61 H new ATOM 0 HB2 GLN A 122 6.250 -18.571 0.531 1.00 2.34 H new ATOM 0 HB3 GLN A 122 5.339 -19.861 -0.229 1.00 2.34 H new ATOM 0 HG2 GLN A 122 7.124 -20.163 -1.905 1.00 2.78 H new ATOM 0 HG3 GLN A 122 8.029 -18.837 -1.200 1.00 2.78 H new ATOM 0 HE21 GLN A 122 8.773 -21.674 -1.544 1.00 4.22 H new ATOM 0 HE22 GLN A 122 9.172 -22.261 0.074 1.00 4.22 H new ATOM 2056 N GLU A 123 5.785 -18.390 -3.710 1.00 2.65 N ATOM 2057 CA GLU A 123 5.579 -18.952 -5.035 1.00 3.47 C ATOM 2058 C GLU A 123 6.873 -19.588 -5.530 1.00 4.01 C ATOM 2059 O GLU A 123 7.711 -18.935 -6.160 1.00 4.36 O ATOM 2060 CB GLU A 123 5.102 -17.866 -6.007 1.00 3.93 C ATOM 2061 CG GLU A 123 4.948 -18.345 -7.444 1.00 4.58 C ATOM 2062 CD GLU A 123 3.944 -19.469 -7.593 1.00 5.36 C ATOM 2063 OE1 GLU A 123 4.316 -20.638 -7.374 1.00 5.57 O ATOM 2064 OE2 GLU A 123 2.780 -19.187 -7.944 1.00 6.07 O ATOM 0 H GLU A 123 6.571 -17.743 -3.650 1.00 2.65 H new ATOM 0 HA GLU A 123 4.808 -19.721 -4.981 1.00 3.47 H new ATOM 0 HB2 GLU A 123 4.145 -17.477 -5.660 1.00 3.93 H new ATOM 0 HB3 GLU A 123 5.809 -17.037 -5.985 1.00 3.93 H new ATOM 0 HG2 GLU A 123 4.641 -17.506 -8.069 1.00 4.58 H new ATOM 0 HG3 GLU A 123 5.917 -18.680 -7.814 1.00 4.58 H new ATOM 2071 N THR A 124 7.040 -20.857 -5.212 1.00 4.46 N ATOM 2072 CA THR A 124 8.198 -21.612 -5.644 1.00 5.15 C ATOM 2073 C THR A 124 7.791 -22.612 -6.724 1.00 5.52 C ATOM 2074 O THR A 124 8.277 -22.561 -7.855 1.00 6.17 O ATOM 2075 CB THR A 124 8.832 -22.359 -4.455 1.00 5.88 C ATOM 2076 OG1 THR A 124 8.985 -21.465 -3.344 1.00 5.92 O ATOM 2077 CG2 THR A 124 10.187 -22.938 -4.835 1.00 6.51 C ATOM 0 H THR A 124 6.379 -21.391 -4.649 1.00 4.46 H new ATOM 0 HA THR A 124 8.933 -20.918 -6.051 1.00 5.15 H new ATOM 0 HB THR A 124 8.171 -23.180 -4.177 1.00 5.88 H new ATOM 0 HG1 THR A 124 9.901 -21.524 -3.000 1.00 5.92 H new ATOM 0 HG21 THR A 124 10.613 -23.460 -3.978 1.00 6.51 H new ATOM 0 HG22 THR A 124 10.065 -23.637 -5.662 1.00 6.51 H new ATOM 0 HG23 THR A 124 10.855 -22.132 -5.137 1.00 6.51 H new ATOM 2085 N PHE A 125 6.870 -23.497 -6.368 1.00 5.46 N ATOM 2086 CA PHE A 125 6.373 -24.508 -7.286 1.00 6.16 C ATOM 2087 C PHE A 125 5.059 -25.065 -6.767 1.00 6.88 C ATOM 2088 O PHE A 125 4.052 -25.094 -7.477 1.00 7.17 O ATOM 2089 CB PHE A 125 7.390 -25.642 -7.443 1.00 6.69 C ATOM 2090 CG PHE A 125 7.026 -26.637 -8.510 1.00 7.02 C ATOM 2091 CD1 PHE A 125 7.232 -26.343 -9.848 1.00 7.48 C ATOM 2092 CD2 PHE A 125 6.484 -27.868 -8.174 1.00 7.20 C ATOM 2093 CE1 PHE A 125 6.902 -27.257 -10.832 1.00 8.12 C ATOM 2094 CE2 PHE A 125 6.152 -28.785 -9.152 1.00 7.81 C ATOM 2095 CZ PHE A 125 6.362 -28.479 -10.483 1.00 8.27 C ATOM 0 H PHE A 125 6.449 -23.533 -5.439 1.00 5.46 H new ATOM 0 HA PHE A 125 6.215 -24.047 -8.261 1.00 6.16 H new ATOM 0 HB2 PHE A 125 8.365 -25.214 -7.675 1.00 6.69 H new ATOM 0 HB3 PHE A 125 7.489 -26.163 -6.491 1.00 6.69 H new ATOM 0 HD1 PHE A 125 7.655 -25.389 -10.126 1.00 7.48 H new ATOM 0 HD2 PHE A 125 6.319 -28.113 -7.135 1.00 7.20 H new ATOM 0 HE1 PHE A 125 7.066 -27.015 -11.872 1.00 8.12 H new ATOM 0 HE2 PHE A 125 5.729 -29.740 -8.877 1.00 7.81 H new ATOM 0 HZ PHE A 125 6.104 -29.195 -11.249 1.00 8.27 H new ATOM 2105 N GLY A 126 5.078 -25.501 -5.519 1.00 7.47 N ATOM 2106 CA GLY A 126 3.888 -26.030 -4.900 1.00 8.43 C ATOM 2107 C GLY A 126 4.222 -27.013 -3.805 1.00 9.49 C ATOM 2108 O GLY A 126 5.300 -26.879 -3.189 1.00 9.97 O ATOM 2109 OXT GLY A 126 3.420 -27.934 -3.561 1.00 10.03 O ATOM 0 H GLY A 126 5.904 -25.497 -4.921 1.00 7.47 H new ATOM 0 HA2 GLY A 126 3.297 -25.212 -4.488 1.00 8.43 H new ATOM 0 HA3 GLY A 126 3.272 -26.520 -5.654 1.00 8.43 H new TER 2113 GLY A 126