USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 987 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 110 GLN : amide:sc= 0.0797 K(o=0.57,f=-3.3!) USER MOD Set 1.2: A 112 GLN : amide:sc= 0.488 K(o=0.57,f=-6.5!) USER MOD Set 2.1: A 74 GLN : amide:sc= 0.337 K(o=-2,f=-7.5!) USER MOD Set 2.2: A 77 MET CE :methyl -155:sc= -2.3! (180deg=-2.62!) USER MOD Set 3.1: A 51 GLN :FLIP amide:sc= 0.77 F(o=-1.2,f=1.6) USER MOD Set 3.2: A 68 MET CE :methyl -172:sc= -0.346 (180deg=-0.465) USER MOD Set 3.3: A 99 THR OG1 : rot 161:sc= 1.21 USER MOD Set 4.1: A 40 SER OG : rot 143:sc= -0.0702 USER MOD Set 4.2: A 45 SER OG : rot 133:sc= 0.647 USER MOD Set 4.3: A 47 HIS : no HD1:sc= -0.156 K(o=0.42,f=-2.3!) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.17 (180deg=-0.723) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0374) USER MOD Single : A 3 HIS : no HD1:sc=-0.00991 X(o=-0.0099,f=-0.078) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.00079) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.209 X(o=-0.21,f=-0.6) USER MOD Single : A 11 MET CE :methyl -173:sc= -0.53 (180deg=-0.612) USER MOD Single : A 15 SER OG : rot 41:sc= -1.08! USER MOD Single : A 16 ASN : amide:sc= 0.152 X(o=0.15,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 83:sc= 0.689 USER MOD Single : A 29 SER OG : rot -80:sc= 0.00858 USER MOD Single : A 33 THR OG1 : rot 110:sc= -0.697 USER MOD Single : A 38 CYS SG : rot -107:sc= 0.0491 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN :FLIP amide:sc= -0.051 F(o=-1.1,f=-0.051) USER MOD Single : A 53 GLN : amide:sc= 0.303 K(o=0.3,f=-0.25) USER MOD Single : A 56 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.429) USER MOD Single : A 61 LYS NZ :NH3+ 140:sc= 1.42 (180deg=-0.683) USER MOD Single : A 62 TYR OH : rot -7:sc= 0.347 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -0.32 K(o=-0.32,f=-0.94) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.709 F(o=-1.6!,f=-0.71) USER MOD Single : A 67 ASN : amide:sc= 0.0711 K(o=0.071,f=-6.8!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.033) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 165:sc= -0.024 (180deg=-0.236) USER MOD Single : A 85 HIS : no HD1:sc= 0.359 K(o=0.36,f=-1.4) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 93 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0217) USER MOD Single : A 102 GLN : amide:sc= -0.0205 X(o=-0.02,f=-0.21) USER MOD Single : A 103 HIS : no HD1:sc= -0.558 X(o=-0.56,f=-0.58) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 116 ASN :FLIP amide:sc= -0.0593 F(o=-1.5!,f=-0.059) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot -52:sc= 0.423 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 36.459 -17.323 -10.266 1.00 13.23 N ATOM 2 CA MET A 1 36.814 -16.214 -11.170 1.00 74.01 C ATOM 3 C MET A 1 35.872 -16.198 -12.390 1.00 55.11 C ATOM 4 O MET A 1 34.927 -15.411 -12.430 1.00 20.24 O ATOM 5 CB MET A 1 38.299 -16.335 -11.621 1.00 63.11 C ATOM 6 CG MET A 1 39.334 -16.113 -10.512 1.00 32.01 C ATOM 7 SD MET A 1 39.375 -14.406 -9.919 1.00 55.32 S ATOM 8 CE MET A 1 39.880 -13.519 -11.397 1.00 20.22 C ATOM 0 H1 MET A 1 37.021 -17.253 -9.393 1.00 13.23 H new ATOM 0 H2 MET A 1 35.447 -17.270 -10.032 1.00 13.23 H new ATOM 0 H3 MET A 1 36.659 -18.230 -10.734 1.00 13.23 H new ATOM 0 HA MET A 1 36.697 -15.273 -10.633 1.00 74.01 H new ATOM 0 HB2 MET A 1 38.454 -17.326 -12.048 1.00 63.11 H new ATOM 0 HB3 MET A 1 38.481 -15.613 -12.417 1.00 63.11 H new ATOM 0 HG2 MET A 1 39.112 -16.777 -9.677 1.00 32.01 H new ATOM 0 HG3 MET A 1 40.321 -16.387 -10.883 1.00 32.01 H new ATOM 0 HE1 MET A 1 40.286 -12.547 -11.117 1.00 20.22 H new ATOM 0 HE2 MET A 1 40.643 -14.093 -11.923 1.00 20.22 H new ATOM 0 HE3 MET A 1 39.018 -13.378 -12.049 1.00 20.22 H new ATOM 20 N GLY A 2 36.112 -17.110 -13.359 1.00 61.12 N ATOM 21 CA GLY A 2 35.442 -17.061 -14.667 1.00 34.13 C ATOM 22 C GLY A 2 34.303 -18.065 -14.828 1.00 1.54 C ATOM 23 O GLY A 2 34.267 -18.808 -15.816 1.00 34.25 O ATOM 0 H GLY A 2 36.765 -17.886 -13.254 1.00 61.12 H new ATOM 0 HA2 GLY A 2 35.050 -16.056 -14.824 1.00 34.13 H new ATOM 0 HA3 GLY A 2 36.181 -17.240 -15.448 1.00 34.13 H new ATOM 27 N HIS A 3 33.365 -18.077 -13.860 1.00 54.21 N ATOM 28 CA HIS A 3 32.119 -18.871 -13.945 1.00 60.13 C ATOM 29 C HIS A 3 31.040 -18.270 -13.013 1.00 23.44 C ATOM 30 O HIS A 3 30.929 -18.629 -11.831 1.00 75.24 O ATOM 31 CB HIS A 3 32.363 -20.398 -13.686 1.00 13.53 C ATOM 32 CG HIS A 3 33.083 -20.741 -12.403 1.00 40.44 C ATOM 33 ND1 HIS A 3 34.440 -20.577 -12.239 1.00 44.20 N ATOM 34 CD2 HIS A 3 32.628 -21.240 -11.223 1.00 63.02 C ATOM 35 CE1 HIS A 3 34.783 -20.950 -11.025 1.00 62.04 C ATOM 36 NE2 HIS A 3 33.707 -21.356 -10.392 1.00 60.11 N ATOM 0 H HIS A 3 33.448 -17.538 -12.998 1.00 54.21 H new ATOM 0 HA HIS A 3 31.747 -18.810 -14.968 1.00 60.13 H new ATOM 0 HB2 HIS A 3 31.398 -20.906 -13.686 1.00 13.53 H new ATOM 0 HB3 HIS A 3 32.936 -20.802 -14.521 1.00 13.53 H new ATOM 0 HD2 HIS A 3 31.606 -21.497 -10.987 1.00 63.02 H new ATOM 0 HE1 HIS A 3 35.783 -20.926 -10.617 1.00 62.04 H new ATOM 0 HE2 HIS A 3 33.680 -21.703 -9.433 1.00 60.11 H new ATOM 45 N HIS A 4 30.296 -17.289 -13.548 1.00 1.44 N ATOM 46 CA HIS A 4 29.199 -16.596 -12.844 1.00 22.43 C ATOM 47 C HIS A 4 27.889 -16.847 -13.597 1.00 33.31 C ATOM 48 O HIS A 4 27.555 -16.131 -14.550 1.00 21.34 O ATOM 49 CB HIS A 4 29.486 -15.072 -12.723 1.00 12.15 C ATOM 50 CG HIS A 4 30.644 -14.731 -11.829 1.00 45.02 C ATOM 51 ND1 HIS A 4 30.524 -14.605 -10.460 1.00 2.24 N ATOM 52 CD2 HIS A 4 31.950 -14.502 -12.105 1.00 33.23 C ATOM 53 CE1 HIS A 4 31.696 -14.311 -9.943 1.00 12.24 C ATOM 54 NE2 HIS A 4 32.581 -14.243 -10.916 1.00 13.31 N ATOM 0 H HIS A 4 30.440 -16.947 -14.498 1.00 1.44 H new ATOM 0 HA HIS A 4 29.117 -16.990 -11.831 1.00 22.43 H new ATOM 0 HB2 HIS A 4 29.679 -14.670 -13.718 1.00 12.15 H new ATOM 0 HB3 HIS A 4 28.592 -14.574 -12.346 1.00 12.15 H new ATOM 0 HD2 HIS A 4 32.410 -14.520 -13.082 1.00 33.23 H new ATOM 0 HE1 HIS A 4 31.900 -14.152 -8.894 1.00 12.24 H new ATOM 0 HE2 HIS A 4 33.573 -14.032 -10.803 1.00 13.31 H new ATOM 63 N HIS A 5 27.189 -17.911 -13.194 1.00 21.43 N ATOM 64 CA HIS A 5 25.931 -18.328 -13.809 1.00 15.10 C ATOM 65 C HIS A 5 24.764 -17.676 -13.060 1.00 34.43 C ATOM 66 O HIS A 5 24.424 -18.081 -11.944 1.00 61.42 O ATOM 67 CB HIS A 5 25.811 -19.878 -13.800 1.00 31.40 C ATOM 68 CG HIS A 5 26.850 -20.578 -14.644 1.00 3.23 C ATOM 69 ND1 HIS A 5 26.554 -21.208 -15.838 1.00 71.31 N ATOM 70 CD2 HIS A 5 28.182 -20.761 -14.456 1.00 3.10 C ATOM 71 CE1 HIS A 5 27.650 -21.743 -16.335 1.00 0.11 C ATOM 72 NE2 HIS A 5 28.648 -21.478 -15.521 1.00 35.14 N ATOM 0 H HIS A 5 27.485 -18.511 -12.424 1.00 21.43 H new ATOM 0 HA HIS A 5 25.906 -18.003 -14.849 1.00 15.10 H new ATOM 0 HB2 HIS A 5 25.893 -20.233 -12.773 1.00 31.40 H new ATOM 0 HB3 HIS A 5 24.819 -20.158 -14.156 1.00 31.40 H new ATOM 0 HD2 HIS A 5 28.765 -20.405 -13.619 1.00 3.10 H new ATOM 0 HE1 HIS A 5 27.718 -22.304 -17.255 1.00 0.11 H new ATOM 0 HE2 HIS A 5 29.617 -21.763 -15.663 1.00 35.14 H new ATOM 81 N HIS A 6 24.211 -16.612 -13.660 1.00 21.25 N ATOM 82 CA HIS A 6 22.999 -15.950 -13.169 1.00 64.54 C ATOM 83 C HIS A 6 21.801 -16.906 -13.329 1.00 32.11 C ATOM 84 O HIS A 6 21.254 -17.054 -14.432 1.00 5.41 O ATOM 85 CB HIS A 6 22.775 -14.624 -13.950 1.00 61.30 C ATOM 86 CG HIS A 6 21.547 -13.834 -13.554 1.00 22.33 C ATOM 87 ND1 HIS A 6 21.568 -12.810 -12.630 1.00 51.53 N ATOM 88 CD2 HIS A 6 20.263 -13.902 -13.988 1.00 72.44 C ATOM 89 CE1 HIS A 6 20.363 -12.292 -12.523 1.00 71.15 C ATOM 90 NE2 HIS A 6 19.558 -12.936 -13.336 1.00 34.41 N ATOM 0 H HIS A 6 24.596 -16.186 -14.503 1.00 21.25 H new ATOM 0 HA HIS A 6 23.105 -15.704 -12.113 1.00 64.54 H new ATOM 0 HB2 HIS A 6 23.652 -13.991 -13.815 1.00 61.30 H new ATOM 0 HB3 HIS A 6 22.709 -14.856 -15.013 1.00 61.30 H new ATOM 0 HD2 HIS A 6 19.872 -14.596 -14.717 1.00 72.44 H new ATOM 0 HE1 HIS A 6 20.083 -11.474 -11.875 1.00 71.15 H new ATOM 0 HE2 HIS A 6 18.564 -12.744 -13.460 1.00 34.41 H new ATOM 99 N HIS A 7 21.456 -17.599 -12.235 1.00 1.13 N ATOM 100 CA HIS A 7 20.287 -18.488 -12.186 1.00 10.24 C ATOM 101 C HIS A 7 19.005 -17.646 -12.224 1.00 32.54 C ATOM 102 O HIS A 7 18.564 -17.157 -11.187 1.00 61.43 O ATOM 103 CB HIS A 7 20.296 -19.378 -10.903 1.00 3.11 C ATOM 104 CG HIS A 7 21.400 -20.403 -10.838 1.00 44.31 C ATOM 105 ND1 HIS A 7 21.190 -21.747 -11.071 1.00 3.32 N ATOM 106 CD2 HIS A 7 22.718 -20.286 -10.536 1.00 31.22 C ATOM 107 CE1 HIS A 7 22.319 -22.402 -10.911 1.00 51.30 C ATOM 108 NE2 HIS A 7 23.258 -21.543 -10.588 1.00 61.22 N ATOM 0 H HIS A 7 21.979 -17.559 -11.360 1.00 1.13 H new ATOM 0 HA HIS A 7 20.326 -19.150 -13.051 1.00 10.24 H new ATOM 0 HB2 HIS A 7 20.374 -18.729 -10.031 1.00 3.11 H new ATOM 0 HB3 HIS A 7 19.339 -19.894 -10.832 1.00 3.11 H new ATOM 0 HD2 HIS A 7 23.243 -19.372 -10.299 1.00 31.22 H new ATOM 0 HE1 HIS A 7 22.452 -23.468 -11.026 1.00 51.30 H new ATOM 0 HE2 HIS A 7 24.234 -21.775 -10.405 1.00 61.22 H new ATOM 117 N HIS A 8 18.458 -17.413 -13.434 1.00 60.10 N ATOM 118 CA HIS A 8 17.109 -16.846 -13.579 1.00 12.35 C ATOM 119 C HIS A 8 16.101 -17.992 -13.406 1.00 54.53 C ATOM 120 O HIS A 8 15.705 -18.659 -14.371 1.00 35.12 O ATOM 121 CB HIS A 8 16.915 -16.115 -14.935 1.00 13.12 C ATOM 122 CG HIS A 8 15.524 -15.537 -15.103 1.00 32.45 C ATOM 123 ND1 HIS A 8 14.498 -16.225 -15.712 1.00 55.12 N ATOM 124 CD2 HIS A 8 14.986 -14.362 -14.694 1.00 42.44 C ATOM 125 CE1 HIS A 8 13.396 -15.505 -15.666 1.00 73.31 C ATOM 126 NE2 HIS A 8 13.665 -14.374 -15.048 1.00 70.54 N ATOM 0 H HIS A 8 18.929 -17.608 -14.318 1.00 60.10 H new ATOM 0 HA HIS A 8 16.952 -16.084 -12.816 1.00 12.35 H new ATOM 0 HB2 HIS A 8 17.648 -15.313 -15.017 1.00 13.12 H new ATOM 0 HB3 HIS A 8 17.113 -16.812 -15.749 1.00 13.12 H new ATOM 0 HD2 HIS A 8 15.504 -13.564 -14.183 1.00 42.44 H new ATOM 0 HE1 HIS A 8 12.435 -15.793 -16.067 1.00 73.31 H new ATOM 0 HE2 HIS A 8 12.996 -13.627 -14.863 1.00 70.54 H new ATOM 135 N SER A 9 15.779 -18.259 -12.144 1.00 33.24 N ATOM 136 CA SER A 9 14.844 -19.315 -11.742 1.00 44.22 C ATOM 137 C SER A 9 13.416 -18.762 -11.703 1.00 34.42 C ATOM 138 O SER A 9 13.215 -17.535 -11.708 1.00 65.24 O ATOM 139 CB SER A 9 15.255 -19.842 -10.347 1.00 30.13 C ATOM 140 OG SER A 9 16.624 -20.231 -10.329 1.00 31.32 O ATOM 0 H SER A 9 16.165 -17.741 -11.355 1.00 33.24 H new ATOM 0 HA SER A 9 14.876 -20.132 -12.463 1.00 44.22 H new ATOM 0 HB2 SER A 9 15.084 -19.069 -9.598 1.00 30.13 H new ATOM 0 HB3 SER A 9 14.629 -20.692 -10.077 1.00 30.13 H new ATOM 0 HG SER A 9 16.859 -20.559 -9.436 1.00 31.32 H new ATOM 146 N HIS A 10 12.425 -19.669 -11.679 1.00 43.31 N ATOM 147 CA HIS A 10 11.031 -19.292 -11.434 1.00 53.22 C ATOM 148 C HIS A 10 10.875 -18.945 -9.944 1.00 1.52 C ATOM 149 O HIS A 10 10.674 -19.829 -9.101 1.00 4.34 O ATOM 150 CB HIS A 10 10.063 -20.423 -11.864 1.00 51.14 C ATOM 151 CG HIS A 10 8.597 -20.082 -11.732 1.00 32.50 C ATOM 152 ND1 HIS A 10 7.744 -20.722 -10.854 1.00 62.32 N ATOM 153 CD2 HIS A 10 7.826 -19.185 -12.397 1.00 62.22 C ATOM 154 CE1 HIS A 10 6.528 -20.242 -10.993 1.00 61.00 C ATOM 155 NE2 HIS A 10 6.555 -19.306 -11.914 1.00 50.21 N ATOM 0 H HIS A 10 12.568 -20.668 -11.827 1.00 43.31 H new ATOM 0 HA HIS A 10 10.773 -18.420 -12.034 1.00 53.22 H new ATOM 0 HB2 HIS A 10 10.269 -20.685 -12.902 1.00 51.14 H new ATOM 0 HB3 HIS A 10 10.272 -21.309 -11.264 1.00 51.14 H new ATOM 0 HD2 HIS A 10 8.157 -18.502 -13.166 1.00 62.22 H new ATOM 0 HE1 HIS A 10 5.655 -20.563 -10.443 1.00 61.00 H new ATOM 0 HE2 HIS A 10 5.752 -18.756 -12.220 1.00 50.21 H new ATOM 164 N MET A 11 11.062 -17.651 -9.641 1.00 50.14 N ATOM 165 CA MET A 11 10.978 -17.093 -8.277 1.00 51.02 C ATOM 166 C MET A 11 9.508 -16.853 -7.887 1.00 71.02 C ATOM 167 O MET A 11 9.074 -15.728 -7.594 1.00 62.13 O ATOM 168 CB MET A 11 11.826 -15.796 -8.200 1.00 71.14 C ATOM 169 CG MET A 11 13.340 -16.014 -8.357 1.00 5.33 C ATOM 170 SD MET A 11 14.261 -14.464 -8.526 1.00 71.04 S ATOM 171 CE MET A 11 13.710 -13.910 -10.142 1.00 24.11 C ATOM 0 H MET A 11 11.280 -16.948 -10.348 1.00 50.14 H new ATOM 0 HA MET A 11 11.385 -17.804 -7.558 1.00 51.02 H new ATOM 0 HB2 MET A 11 11.488 -15.109 -8.976 1.00 71.14 H new ATOM 0 HB3 MET A 11 11.639 -15.311 -7.242 1.00 71.14 H new ATOM 0 HG2 MET A 11 13.715 -16.561 -7.492 1.00 5.33 H new ATOM 0 HG3 MET A 11 13.523 -16.637 -9.232 1.00 5.33 H new ATOM 0 HE1 MET A 11 14.283 -13.032 -10.440 1.00 24.11 H new ATOM 0 HE2 MET A 11 13.861 -14.707 -10.871 1.00 24.11 H new ATOM 0 HE3 MET A 11 12.651 -13.655 -10.098 1.00 24.11 H new ATOM 181 N ALA A 12 8.768 -17.966 -7.876 1.00 23.40 N ATOM 182 CA ALA A 12 7.338 -18.042 -7.555 1.00 33.21 C ATOM 183 C ALA A 12 6.969 -19.522 -7.377 1.00 72.31 C ATOM 184 O ALA A 12 7.637 -20.395 -7.946 1.00 30.03 O ATOM 185 CB ALA A 12 6.474 -17.388 -8.654 1.00 22.24 C ATOM 0 H ALA A 12 9.166 -18.878 -8.100 1.00 23.40 H new ATOM 0 HA ALA A 12 7.141 -17.491 -6.635 1.00 33.21 H new ATOM 0 HB1 ALA A 12 5.421 -17.463 -8.382 1.00 22.24 H new ATOM 0 HB2 ALA A 12 6.748 -16.338 -8.756 1.00 22.24 H new ATOM 0 HB3 ALA A 12 6.641 -17.900 -9.601 1.00 22.24 H new ATOM 191 N GLY A 13 5.914 -19.803 -6.601 1.00 13.33 N ATOM 192 CA GLY A 13 5.506 -21.182 -6.300 1.00 63.12 C ATOM 193 C GLY A 13 5.884 -21.563 -4.875 1.00 54.35 C ATOM 194 O GLY A 13 5.065 -21.403 -3.962 1.00 10.14 O ATOM 0 H GLY A 13 5.325 -19.091 -6.169 1.00 13.33 H new ATOM 0 HA2 GLY A 13 4.429 -21.284 -6.434 1.00 63.12 H new ATOM 0 HA3 GLY A 13 5.981 -21.867 -7.002 1.00 63.12 H new ATOM 198 N PRO A 14 7.141 -22.054 -4.629 1.00 23.40 N ATOM 199 CA PRO A 14 7.708 -22.187 -3.262 1.00 61.42 C ATOM 200 C PRO A 14 8.174 -20.816 -2.697 1.00 73.44 C ATOM 201 O PRO A 14 9.186 -20.732 -1.987 1.00 55.33 O ATOM 202 CB PRO A 14 8.909 -23.173 -3.472 1.00 60.33 C ATOM 203 CG PRO A 14 8.782 -23.684 -4.890 1.00 31.13 C ATOM 204 CD PRO A 14 8.085 -22.588 -5.646 1.00 2.44 C ATOM 0 HA PRO A 14 6.984 -22.549 -2.532 1.00 61.42 H new ATOM 0 HB2 PRO A 14 9.862 -22.665 -3.324 1.00 60.33 H new ATOM 0 HB3 PRO A 14 8.870 -23.994 -2.756 1.00 60.33 H new ATOM 0 HG2 PRO A 14 9.760 -23.898 -5.320 1.00 31.13 H new ATOM 0 HG3 PRO A 14 8.210 -24.611 -4.924 1.00 31.13 H new ATOM 0 HD2 PRO A 14 8.783 -21.826 -5.993 1.00 2.44 H new ATOM 0 HD3 PRO A 14 7.564 -22.968 -6.525 1.00 2.44 H new ATOM 212 N SER A 15 7.393 -19.763 -2.990 1.00 11.43 N ATOM 213 CA SER A 15 7.747 -18.381 -2.677 1.00 64.44 C ATOM 214 C SER A 15 7.547 -18.077 -1.186 1.00 73.04 C ATOM 215 O SER A 15 6.698 -18.681 -0.517 1.00 3.23 O ATOM 216 CB SER A 15 6.908 -17.424 -3.550 1.00 41.32 C ATOM 217 OG SER A 15 7.243 -16.074 -3.303 1.00 3.31 O ATOM 0 H SER A 15 6.490 -19.855 -3.456 1.00 11.43 H new ATOM 0 HA SER A 15 8.804 -18.233 -2.898 1.00 64.44 H new ATOM 0 HB2 SER A 15 7.070 -17.654 -4.603 1.00 41.32 H new ATOM 0 HB3 SER A 15 5.848 -17.580 -3.349 1.00 41.32 H new ATOM 0 HG SER A 15 8.214 -15.991 -3.203 1.00 3.31 H new ATOM 223 N ASN A 16 8.326 -17.114 -0.682 1.00 75.14 N ATOM 224 CA ASN A 16 8.358 -16.761 0.752 1.00 51.20 C ATOM 225 C ASN A 16 7.687 -15.395 1.006 1.00 25.32 C ATOM 226 O ASN A 16 7.879 -14.811 2.080 1.00 3.20 O ATOM 227 CB ASN A 16 9.836 -16.738 1.245 1.00 45.41 C ATOM 228 CG ASN A 16 10.571 -18.070 1.034 1.00 25.31 C ATOM 229 OD1 ASN A 16 10.580 -18.940 1.902 1.00 10.01 O ATOM 230 ND2 ASN A 16 11.190 -18.232 -0.123 1.00 74.21 N ATOM 0 H ASN A 16 8.956 -16.552 -1.254 1.00 75.14 H new ATOM 0 HA ASN A 16 7.799 -17.513 1.309 1.00 51.20 H new ATOM 0 HB2 ASN A 16 10.374 -15.948 0.721 1.00 45.41 H new ATOM 0 HB3 ASN A 16 9.854 -16.486 2.305 1.00 45.41 H new ATOM 0 HD21 ASN A 16 11.693 -19.098 -0.315 1.00 74.21 H new ATOM 0 HD22 ASN A 16 11.164 -17.491 -0.823 1.00 74.21 H new ATOM 237 N VAL A 17 6.906 -14.892 0.015 1.00 54.44 N ATOM 238 CA VAL A 17 6.248 -13.568 0.114 1.00 54.13 C ATOM 239 C VAL A 17 5.274 -13.532 1.309 1.00 34.33 C ATOM 240 O VAL A 17 4.455 -14.451 1.454 1.00 51.31 O ATOM 241 CB VAL A 17 5.489 -13.173 -1.211 1.00 12.40 C ATOM 242 CG1 VAL A 17 4.767 -11.812 -1.071 1.00 52.24 C ATOM 243 CG2 VAL A 17 6.461 -13.133 -2.403 1.00 11.01 C ATOM 0 H VAL A 17 6.719 -15.384 -0.859 1.00 54.44 H new ATOM 0 HA VAL A 17 7.039 -12.835 0.270 1.00 54.13 H new ATOM 0 HB VAL A 17 4.734 -13.938 -1.393 1.00 12.40 H new ATOM 0 HG11 VAL A 17 4.256 -11.574 -2.004 1.00 52.24 H new ATOM 0 HG12 VAL A 17 4.039 -11.868 -0.262 1.00 52.24 H new ATOM 0 HG13 VAL A 17 5.497 -11.034 -0.849 1.00 52.24 H new ATOM 0 HG21 VAL A 17 5.917 -12.859 -3.307 1.00 11.01 H new ATOM 0 HG22 VAL A 17 7.242 -12.397 -2.211 1.00 11.01 H new ATOM 0 HG23 VAL A 17 6.914 -14.115 -2.536 1.00 11.01 H new ATOM 253 N PRO A 18 5.373 -12.491 2.204 1.00 11.13 N ATOM 254 CA PRO A 18 4.423 -12.306 3.316 1.00 0.31 C ATOM 255 C PRO A 18 2.992 -12.093 2.793 1.00 55.43 C ATOM 256 O PRO A 18 2.806 -11.426 1.759 1.00 64.40 O ATOM 257 CB PRO A 18 4.949 -11.036 4.050 1.00 71.54 C ATOM 258 CG PRO A 18 6.375 -10.898 3.610 1.00 41.31 C ATOM 259 CD PRO A 18 6.412 -11.425 2.196 1.00 4.34 C ATOM 0 HA PRO A 18 4.369 -13.176 3.971 1.00 0.31 H new ATOM 0 HB2 PRO A 18 4.366 -10.155 3.782 1.00 71.54 H new ATOM 0 HB3 PRO A 18 4.879 -11.148 5.132 1.00 71.54 H new ATOM 0 HG2 PRO A 18 6.699 -9.858 3.650 1.00 41.31 H new ATOM 0 HG3 PRO A 18 7.043 -11.466 4.258 1.00 41.31 H new ATOM 0 HD2 PRO A 18 6.184 -10.645 1.469 1.00 4.34 H new ATOM 0 HD3 PRO A 18 7.394 -11.822 1.940 1.00 4.34 H new ATOM 267 N ALA A 19 2.002 -12.669 3.503 1.00 41.33 N ATOM 268 CA ALA A 19 0.573 -12.510 3.193 1.00 43.33 C ATOM 269 C ALA A 19 0.188 -11.029 3.075 1.00 44.22 C ATOM 270 O ALA A 19 -0.571 -10.668 2.177 1.00 5.54 O ATOM 271 CB ALA A 19 -0.270 -13.209 4.266 1.00 74.21 C ATOM 0 H ALA A 19 2.176 -13.262 4.314 1.00 41.33 H new ATOM 0 HA ALA A 19 0.375 -12.975 2.227 1.00 43.33 H new ATOM 0 HB1 ALA A 19 -1.328 -13.089 4.033 1.00 74.21 H new ATOM 0 HB2 ALA A 19 -0.022 -14.270 4.290 1.00 74.21 H new ATOM 0 HB3 ALA A 19 -0.060 -12.766 5.239 1.00 74.21 H new ATOM 277 N PHE A 20 0.747 -10.193 3.983 1.00 55.30 N ATOM 278 CA PHE A 20 0.603 -8.723 3.953 1.00 10.30 C ATOM 279 C PHE A 20 0.933 -8.113 2.572 1.00 4.50 C ATOM 280 O PHE A 20 0.160 -7.307 2.057 1.00 61.50 O ATOM 281 CB PHE A 20 1.508 -8.073 5.043 1.00 71.53 C ATOM 282 CG PHE A 20 1.402 -6.546 5.108 1.00 15.53 C ATOM 283 CD1 PHE A 20 0.286 -5.931 5.677 1.00 33.52 C ATOM 284 CD2 PHE A 20 2.389 -5.723 4.563 1.00 74.42 C ATOM 285 CE1 PHE A 20 0.166 -4.554 5.703 1.00 75.55 C ATOM 286 CE2 PHE A 20 2.263 -4.351 4.582 1.00 24.32 C ATOM 287 CZ PHE A 20 1.152 -3.765 5.149 1.00 10.42 C ATOM 0 H PHE A 20 1.315 -10.526 4.762 1.00 55.30 H new ATOM 0 HA PHE A 20 -0.446 -8.507 4.158 1.00 10.30 H new ATOM 0 HB2 PHE A 20 1.243 -8.488 6.016 1.00 71.53 H new ATOM 0 HB3 PHE A 20 2.545 -8.348 4.851 1.00 71.53 H new ATOM 0 HD1 PHE A 20 -0.497 -6.541 6.104 1.00 33.52 H new ATOM 0 HD2 PHE A 20 3.266 -6.169 4.119 1.00 74.42 H new ATOM 0 HE1 PHE A 20 -0.700 -4.096 6.157 1.00 75.55 H new ATOM 0 HE2 PHE A 20 3.037 -3.733 4.151 1.00 24.32 H new ATOM 0 HZ PHE A 20 1.054 -2.690 5.159 1.00 10.42 H new ATOM 297 N LEU A 21 2.073 -8.519 1.978 1.00 51.42 N ATOM 298 CA LEU A 21 2.617 -7.875 0.761 1.00 31.23 C ATOM 299 C LEU A 21 1.946 -8.447 -0.491 1.00 30.20 C ATOM 300 O LEU A 21 1.892 -7.790 -1.531 1.00 23.53 O ATOM 301 CB LEU A 21 4.157 -8.049 0.689 1.00 31.44 C ATOM 302 CG LEU A 21 4.987 -7.319 1.800 1.00 50.13 C ATOM 303 CD1 LEU A 21 6.489 -7.606 1.646 1.00 1.13 C ATOM 304 CD2 LEU A 21 4.725 -5.799 1.789 1.00 72.10 C ATOM 0 H LEU A 21 2.639 -9.294 2.322 1.00 51.42 H new ATOM 0 HA LEU A 21 2.400 -6.808 0.810 1.00 31.23 H new ATOM 0 HB2 LEU A 21 4.384 -9.114 0.735 1.00 31.44 H new ATOM 0 HB3 LEU A 21 4.497 -7.692 -0.283 1.00 31.44 H new ATOM 0 HG LEU A 21 4.659 -7.712 2.763 1.00 50.13 H new ATOM 0 HD11 LEU A 21 7.041 -7.087 2.430 1.00 1.13 H new ATOM 0 HD12 LEU A 21 6.665 -8.679 1.728 1.00 1.13 H new ATOM 0 HD13 LEU A 21 6.828 -7.256 0.671 1.00 1.13 H new ATOM 0 HD21 LEU A 21 5.316 -5.322 2.571 1.00 72.10 H new ATOM 0 HD22 LEU A 21 5.008 -5.388 0.820 1.00 72.10 H new ATOM 0 HD23 LEU A 21 3.666 -5.611 1.968 1.00 72.10 H new ATOM 316 N THR A 22 1.470 -9.690 -0.370 1.00 1.32 N ATOM 317 CA THR A 22 0.643 -10.350 -1.371 1.00 60.24 C ATOM 318 C THR A 22 -0.738 -9.647 -1.504 1.00 41.14 C ATOM 319 O THR A 22 -1.195 -9.381 -2.626 1.00 34.41 O ATOM 320 CB THR A 22 0.500 -11.858 -0.979 1.00 53.45 C ATOM 321 OG1 THR A 22 1.783 -12.483 -1.017 1.00 2.30 O ATOM 322 CG2 THR A 22 -0.449 -12.629 -1.887 1.00 51.31 C ATOM 0 H THR A 22 1.656 -10.273 0.446 1.00 1.32 H new ATOM 0 HA THR A 22 1.116 -10.283 -2.351 1.00 60.24 H new ATOM 0 HB THR A 22 0.078 -11.881 0.026 1.00 53.45 H new ATOM 0 HG1 THR A 22 1.694 -13.427 -0.770 1.00 2.30 H new ATOM 0 HG21 THR A 22 -0.502 -13.667 -1.560 1.00 51.31 H new ATOM 0 HG22 THR A 22 -1.442 -12.182 -1.839 1.00 51.31 H new ATOM 0 HG23 THR A 22 -0.083 -12.590 -2.913 1.00 51.31 H new ATOM 330 N LYS A 23 -1.370 -9.328 -0.351 1.00 63.25 N ATOM 331 CA LYS A 23 -2.648 -8.584 -0.319 1.00 65.10 C ATOM 332 C LYS A 23 -2.436 -7.146 -0.817 1.00 44.45 C ATOM 333 O LYS A 23 -3.236 -6.635 -1.608 1.00 63.15 O ATOM 334 CB LYS A 23 -3.248 -8.551 1.118 1.00 72.30 C ATOM 335 CG LYS A 23 -3.575 -9.912 1.793 1.00 70.10 C ATOM 336 CD LYS A 23 -4.900 -10.578 1.334 1.00 13.24 C ATOM 337 CE LYS A 23 -4.849 -11.214 -0.060 1.00 0.40 C ATOM 338 NZ LYS A 23 -6.143 -11.854 -0.421 1.00 41.05 N ATOM 0 H LYS A 23 -1.013 -9.576 0.572 1.00 63.25 H new ATOM 0 HA LYS A 23 -3.349 -9.100 -0.975 1.00 65.10 H new ATOM 0 HB2 LYS A 23 -2.549 -8.016 1.761 1.00 72.30 H new ATOM 0 HB3 LYS A 23 -4.165 -7.963 1.086 1.00 72.30 H new ATOM 0 HG2 LYS A 23 -2.754 -10.602 1.598 1.00 70.10 H new ATOM 0 HG3 LYS A 23 -3.617 -9.763 2.872 1.00 70.10 H new ATOM 0 HD2 LYS A 23 -5.175 -11.345 2.058 1.00 13.24 H new ATOM 0 HD3 LYS A 23 -5.691 -9.828 1.348 1.00 13.24 H new ATOM 0 HE2 LYS A 23 -4.601 -10.452 -0.799 1.00 0.40 H new ATOM 0 HE3 LYS A 23 -4.054 -11.959 -0.091 1.00 0.40 H new ATOM 0 HZ1 LYS A 23 -6.070 -12.273 -1.370 1.00 41.05 H new ATOM 0 HZ2 LYS A 23 -6.367 -12.598 0.270 1.00 41.05 H new ATOM 0 HZ3 LYS A 23 -6.898 -11.138 -0.416 1.00 41.05 H new ATOM 352 N LEU A 24 -1.341 -6.519 -0.320 1.00 21.33 N ATOM 353 CA LEU A 24 -0.933 -5.149 -0.678 1.00 50.22 C ATOM 354 C LEU A 24 -0.755 -4.994 -2.195 1.00 30.55 C ATOM 355 O LEU A 24 -1.339 -4.094 -2.779 1.00 53.41 O ATOM 356 CB LEU A 24 0.384 -4.769 0.055 1.00 43.32 C ATOM 357 CG LEU A 24 0.991 -3.369 -0.288 1.00 72.15 C ATOM 358 CD1 LEU A 24 0.012 -2.228 0.047 1.00 30.02 C ATOM 359 CD2 LEU A 24 2.355 -3.164 0.399 1.00 45.31 C ATOM 0 H LEU A 24 -0.712 -6.962 0.350 1.00 21.33 H new ATOM 0 HA LEU A 24 -1.727 -4.473 -0.361 1.00 50.22 H new ATOM 0 HB2 LEU A 24 0.201 -4.808 1.129 1.00 43.32 H new ATOM 0 HB3 LEU A 24 1.132 -5.530 -0.169 1.00 43.32 H new ATOM 0 HG LEU A 24 1.160 -3.343 -1.365 1.00 72.15 H new ATOM 0 HD11 LEU A 24 0.469 -1.271 -0.205 1.00 30.02 H new ATOM 0 HD12 LEU A 24 -0.905 -2.355 -0.528 1.00 30.02 H new ATOM 0 HD13 LEU A 24 -0.221 -2.250 1.112 1.00 30.02 H new ATOM 0 HD21 LEU A 24 2.749 -2.181 0.140 1.00 45.31 H new ATOM 0 HD22 LEU A 24 2.232 -3.232 1.480 1.00 45.31 H new ATOM 0 HD23 LEU A 24 3.050 -3.934 0.064 1.00 45.31 H new ATOM 371 N TRP A 25 0.059 -5.875 -2.811 1.00 34.02 N ATOM 372 CA TRP A 25 0.350 -5.823 -4.253 1.00 22.34 C ATOM 373 C TRP A 25 -0.933 -5.954 -5.103 1.00 64.43 C ATOM 374 O TRP A 25 -1.160 -5.137 -5.999 1.00 32.54 O ATOM 375 CB TRP A 25 1.414 -6.895 -4.636 1.00 31.12 C ATOM 376 CG TRP A 25 1.671 -7.067 -6.132 1.00 12.20 C ATOM 377 CD1 TRP A 25 1.812 -8.256 -6.795 1.00 22.12 C ATOM 378 CD2 TRP A 25 1.796 -6.036 -7.146 1.00 74.43 C ATOM 379 NE1 TRP A 25 2.004 -8.037 -8.135 1.00 3.11 N ATOM 380 CE2 TRP A 25 1.990 -6.691 -8.377 1.00 41.41 C ATOM 381 CE3 TRP A 25 1.750 -4.628 -7.134 1.00 50.53 C ATOM 382 CZ2 TRP A 25 2.138 -6.001 -9.570 1.00 0.42 C ATOM 383 CZ3 TRP A 25 1.896 -3.947 -8.322 1.00 72.21 C ATOM 384 CH2 TRP A 25 2.082 -4.635 -9.524 1.00 11.21 C ATOM 0 H TRP A 25 0.529 -6.638 -2.324 1.00 34.02 H new ATOM 0 HA TRP A 25 0.769 -4.842 -4.476 1.00 22.34 H new ATOM 0 HB2 TRP A 25 2.355 -6.635 -4.152 1.00 31.12 H new ATOM 0 HB3 TRP A 25 1.099 -7.855 -4.227 1.00 31.12 H new ATOM 0 HD1 TRP A 25 1.777 -9.229 -6.329 1.00 22.12 H new ATOM 0 HE1 TRP A 25 2.136 -8.763 -8.839 1.00 3.11 H new ATOM 0 HE3 TRP A 25 1.603 -4.092 -6.208 1.00 50.53 H new ATOM 0 HZ2 TRP A 25 2.292 -6.523 -10.503 1.00 0.42 H new ATOM 0 HZ3 TRP A 25 1.866 -2.867 -8.325 1.00 72.21 H new ATOM 0 HH2 TRP A 25 2.184 -4.073 -10.441 1.00 11.21 H new ATOM 395 N THR A 26 -1.770 -6.962 -4.803 1.00 23.13 N ATOM 396 CA THR A 26 -3.045 -7.185 -5.519 1.00 4.14 C ATOM 397 C THR A 26 -4.011 -5.978 -5.342 1.00 41.43 C ATOM 398 O THR A 26 -4.836 -5.692 -6.219 1.00 12.30 O ATOM 399 CB THR A 26 -3.710 -8.513 -5.033 1.00 70.44 C ATOM 400 OG1 THR A 26 -2.743 -9.565 -5.091 1.00 40.43 O ATOM 401 CG2 THR A 26 -4.930 -8.928 -5.880 1.00 23.35 C ATOM 0 H THR A 26 -1.587 -7.642 -4.065 1.00 23.13 H new ATOM 0 HA THR A 26 -2.829 -7.275 -6.584 1.00 4.14 H new ATOM 0 HB THR A 26 -4.061 -8.338 -4.016 1.00 70.44 H new ATOM 0 HG1 THR A 26 -2.191 -9.547 -4.281 1.00 40.43 H new ATOM 0 HG21 THR A 26 -5.345 -9.857 -5.490 1.00 23.35 H new ATOM 0 HG22 THR A 26 -5.687 -8.146 -5.835 1.00 23.35 H new ATOM 0 HG23 THR A 26 -4.621 -9.075 -6.915 1.00 23.35 H new ATOM 409 N LEU A 27 -3.869 -5.266 -4.208 1.00 60.51 N ATOM 410 CA LEU A 27 -4.630 -4.043 -3.897 1.00 4.21 C ATOM 411 C LEU A 27 -4.129 -2.830 -4.718 1.00 41.12 C ATOM 412 O LEU A 27 -4.934 -2.055 -5.248 1.00 64.23 O ATOM 413 CB LEU A 27 -4.540 -3.774 -2.367 1.00 52.35 C ATOM 414 CG LEU A 27 -5.200 -2.471 -1.845 1.00 34.43 C ATOM 415 CD1 LEU A 27 -6.645 -2.352 -2.346 1.00 53.34 C ATOM 416 CD2 LEU A 27 -5.122 -2.390 -0.298 1.00 4.30 C ATOM 0 H LEU A 27 -3.213 -5.529 -3.472 1.00 60.51 H new ATOM 0 HA LEU A 27 -5.673 -4.190 -4.178 1.00 4.21 H new ATOM 0 HB2 LEU A 27 -4.995 -4.617 -1.847 1.00 52.35 H new ATOM 0 HB3 LEU A 27 -3.487 -3.757 -2.087 1.00 52.35 H new ATOM 0 HG LEU A 27 -4.643 -1.623 -2.244 1.00 34.43 H new ATOM 0 HD11 LEU A 27 -7.087 -1.430 -1.967 1.00 53.34 H new ATOM 0 HD12 LEU A 27 -6.652 -2.336 -3.436 1.00 53.34 H new ATOM 0 HD13 LEU A 27 -7.224 -3.205 -1.992 1.00 53.34 H new ATOM 0 HD21 LEU A 27 -5.592 -1.467 0.042 1.00 4.30 H new ATOM 0 HD22 LEU A 27 -5.641 -3.244 0.138 1.00 4.30 H new ATOM 0 HD23 LEU A 27 -4.078 -2.402 0.015 1.00 4.30 H new ATOM 428 N VAL A 28 -2.796 -2.673 -4.802 1.00 62.24 N ATOM 429 CA VAL A 28 -2.140 -1.621 -5.604 1.00 45.03 C ATOM 430 C VAL A 28 -2.483 -1.792 -7.100 1.00 62.24 C ATOM 431 O VAL A 28 -2.705 -0.810 -7.820 1.00 41.33 O ATOM 432 CB VAL A 28 -0.576 -1.666 -5.380 1.00 45.03 C ATOM 433 CG1 VAL A 28 0.197 -0.730 -6.335 1.00 0.44 C ATOM 434 CG2 VAL A 28 -0.222 -1.347 -3.911 1.00 2.55 C ATOM 0 H VAL A 28 -2.137 -3.277 -4.311 1.00 62.24 H new ATOM 0 HA VAL A 28 -2.509 -0.648 -5.280 1.00 45.03 H new ATOM 0 HB VAL A 28 -0.262 -2.684 -5.611 1.00 45.03 H new ATOM 0 HG11 VAL A 28 1.265 -0.805 -6.132 1.00 0.44 H new ATOM 0 HG12 VAL A 28 0.002 -1.021 -7.367 1.00 0.44 H new ATOM 0 HG13 VAL A 28 -0.130 0.298 -6.180 1.00 0.44 H new ATOM 0 HG21 VAL A 28 0.860 -1.384 -3.781 1.00 2.55 H new ATOM 0 HG22 VAL A 28 -0.584 -0.351 -3.658 1.00 2.55 H new ATOM 0 HG23 VAL A 28 -0.691 -2.081 -3.256 1.00 2.55 H new ATOM 444 N SER A 29 -2.571 -3.060 -7.529 1.00 70.40 N ATOM 445 CA SER A 29 -2.838 -3.435 -8.924 1.00 1.01 C ATOM 446 C SER A 29 -4.361 -3.583 -9.199 1.00 14.50 C ATOM 447 O SER A 29 -4.752 -4.096 -10.261 1.00 1.43 O ATOM 448 CB SER A 29 -2.092 -4.757 -9.245 1.00 73.41 C ATOM 449 OG SER A 29 -2.543 -5.831 -8.434 1.00 43.44 O ATOM 0 H SER A 29 -2.457 -3.862 -6.909 1.00 70.40 H new ATOM 0 HA SER A 29 -2.474 -2.640 -9.574 1.00 1.01 H new ATOM 0 HB2 SER A 29 -2.237 -5.010 -10.295 1.00 73.41 H new ATOM 0 HB3 SER A 29 -1.022 -4.615 -9.096 1.00 73.41 H new ATOM 0 HG SER A 29 -2.117 -5.777 -7.553 1.00 43.44 H new ATOM 455 N ASP A 30 -5.215 -3.144 -8.240 1.00 13.04 N ATOM 456 CA ASP A 30 -6.690 -3.141 -8.409 1.00 2.53 C ATOM 457 C ASP A 30 -7.173 -1.784 -9.009 1.00 44.32 C ATOM 458 O ASP A 30 -7.003 -0.733 -8.375 1.00 1.35 O ATOM 459 CB ASP A 30 -7.384 -3.417 -7.039 1.00 42.42 C ATOM 460 CG ASP A 30 -8.925 -3.606 -7.094 1.00 24.44 C ATOM 461 OD1 ASP A 30 -9.495 -3.748 -8.193 1.00 21.35 O ATOM 462 OD2 ASP A 30 -9.564 -3.682 -6.021 1.00 3.41 O ATOM 0 H ASP A 30 -4.905 -2.786 -7.337 1.00 13.04 H new ATOM 0 HA ASP A 30 -6.964 -3.933 -9.106 1.00 2.53 H new ATOM 0 HB2 ASP A 30 -6.941 -4.312 -6.601 1.00 42.42 H new ATOM 0 HB3 ASP A 30 -7.161 -2.589 -6.366 1.00 42.42 H new ATOM 467 N PRO A 31 -7.773 -1.786 -10.251 1.00 1.15 N ATOM 468 CA PRO A 31 -8.324 -0.559 -10.895 1.00 4.21 C ATOM 469 C PRO A 31 -9.700 -0.134 -10.320 1.00 72.55 C ATOM 470 O PRO A 31 -10.223 0.928 -10.679 1.00 15.41 O ATOM 471 CB PRO A 31 -8.435 -0.979 -12.382 1.00 1.44 C ATOM 472 CG PRO A 31 -8.719 -2.454 -12.327 1.00 53.51 C ATOM 473 CD PRO A 31 -7.946 -2.981 -11.133 1.00 62.01 C ATOM 0 HA PRO A 31 -7.695 0.315 -10.727 1.00 4.21 H new ATOM 0 HB2 PRO A 31 -9.233 -0.438 -12.890 1.00 1.44 H new ATOM 0 HB3 PRO A 31 -7.513 -0.771 -12.925 1.00 1.44 H new ATOM 0 HG2 PRO A 31 -9.787 -2.642 -12.215 1.00 53.51 H new ATOM 0 HG3 PRO A 31 -8.403 -2.947 -13.246 1.00 53.51 H new ATOM 0 HD2 PRO A 31 -8.492 -3.776 -10.624 1.00 62.01 H new ATOM 0 HD3 PRO A 31 -6.984 -3.397 -11.433 1.00 62.01 H new ATOM 481 N ASP A 32 -10.288 -0.986 -9.458 1.00 54.44 N ATOM 482 CA ASP A 32 -11.573 -0.706 -8.772 1.00 75.02 C ATOM 483 C ASP A 32 -11.358 0.106 -7.477 1.00 13.23 C ATOM 484 O ASP A 32 -12.246 0.853 -7.053 1.00 52.40 O ATOM 485 CB ASP A 32 -12.317 -2.045 -8.492 1.00 11.40 C ATOM 486 CG ASP A 32 -13.614 -1.898 -7.668 1.00 15.22 C ATOM 487 OD1 ASP A 32 -14.609 -1.353 -8.199 1.00 10.21 O ATOM 488 OD2 ASP A 32 -13.650 -2.322 -6.490 1.00 42.32 O ATOM 0 H ASP A 32 -9.887 -1.892 -9.214 1.00 54.44 H new ATOM 0 HA ASP A 32 -12.193 -0.092 -9.425 1.00 75.02 H new ATOM 0 HB2 ASP A 32 -12.558 -2.518 -9.444 1.00 11.40 H new ATOM 0 HB3 ASP A 32 -11.641 -2.718 -7.964 1.00 11.40 H new ATOM 493 N THR A 33 -10.163 -0.008 -6.873 1.00 13.31 N ATOM 494 CA THR A 33 -9.806 0.747 -5.646 1.00 23.34 C ATOM 495 C THR A 33 -8.816 1.887 -5.963 1.00 62.33 C ATOM 496 O THR A 33 -8.317 2.543 -5.038 1.00 61.00 O ATOM 497 CB THR A 33 -9.191 -0.189 -4.548 1.00 75.12 C ATOM 498 OG1 THR A 33 -8.083 -0.918 -5.097 1.00 62.14 O ATOM 499 CG2 THR A 33 -10.219 -1.177 -3.969 1.00 2.13 C ATOM 0 H THR A 33 -9.419 -0.618 -7.212 1.00 13.31 H new ATOM 0 HA THR A 33 -10.731 1.174 -5.259 1.00 23.34 H new ATOM 0 HB THR A 33 -8.858 0.451 -3.731 1.00 75.12 H new ATOM 0 HG1 THR A 33 -7.248 -0.589 -4.704 1.00 62.14 H new ATOM 0 HG21 THR A 33 -9.740 -1.800 -3.214 1.00 2.13 H new ATOM 0 HG22 THR A 33 -11.040 -0.623 -3.514 1.00 2.13 H new ATOM 0 HG23 THR A 33 -10.606 -1.809 -4.768 1.00 2.13 H new ATOM 507 N ASP A 34 -8.591 2.145 -7.273 1.00 1.33 N ATOM 508 CA ASP A 34 -7.528 3.052 -7.766 1.00 21.34 C ATOM 509 C ASP A 34 -7.641 4.495 -7.206 1.00 64.52 C ATOM 510 O ASP A 34 -6.620 5.183 -7.034 1.00 1.34 O ATOM 511 CB ASP A 34 -7.503 3.073 -9.326 1.00 44.43 C ATOM 512 CG ASP A 34 -8.603 3.945 -9.964 1.00 53.01 C ATOM 513 OD1 ASP A 34 -9.798 3.684 -9.718 1.00 54.12 O ATOM 514 OD2 ASP A 34 -8.285 4.899 -10.706 1.00 53.42 O ATOM 0 H ASP A 34 -9.145 1.728 -8.021 1.00 1.33 H new ATOM 0 HA ASP A 34 -6.586 2.649 -7.393 1.00 21.34 H new ATOM 0 HB2 ASP A 34 -6.530 3.435 -9.658 1.00 44.43 H new ATOM 0 HB3 ASP A 34 -7.605 2.052 -9.694 1.00 44.43 H new ATOM 519 N ALA A 35 -8.877 4.940 -6.921 1.00 31.45 N ATOM 520 CA ALA A 35 -9.149 6.311 -6.447 1.00 45.02 C ATOM 521 C ALA A 35 -8.619 6.560 -5.026 1.00 65.43 C ATOM 522 O ALA A 35 -8.354 7.709 -4.662 1.00 40.21 O ATOM 523 CB ALA A 35 -10.650 6.614 -6.525 1.00 0.35 C ATOM 0 H ALA A 35 -9.713 4.363 -7.012 1.00 31.45 H new ATOM 0 HA ALA A 35 -8.611 6.991 -7.107 1.00 45.02 H new ATOM 0 HB1 ALA A 35 -10.835 7.629 -6.172 1.00 0.35 H new ATOM 0 HB2 ALA A 35 -10.987 6.522 -7.558 1.00 0.35 H new ATOM 0 HB3 ALA A 35 -11.197 5.907 -5.901 1.00 0.35 H new ATOM 529 N LEU A 36 -8.457 5.486 -4.227 1.00 64.11 N ATOM 530 CA LEU A 36 -7.984 5.581 -2.826 1.00 43.03 C ATOM 531 C LEU A 36 -6.620 4.894 -2.656 1.00 53.45 C ATOM 532 O LEU A 36 -5.946 5.106 -1.647 1.00 41.20 O ATOM 533 CB LEU A 36 -9.031 4.958 -1.859 1.00 24.12 C ATOM 534 CG LEU A 36 -10.464 5.578 -1.906 1.00 33.15 C ATOM 535 CD1 LEU A 36 -11.390 4.922 -0.872 1.00 41.13 C ATOM 536 CD2 LEU A 36 -10.426 7.106 -1.723 1.00 62.14 C ATOM 0 H LEU A 36 -8.649 4.531 -4.531 1.00 64.11 H new ATOM 0 HA LEU A 36 -7.863 6.636 -2.579 1.00 43.03 H new ATOM 0 HB2 LEU A 36 -9.110 3.893 -2.079 1.00 24.12 H new ATOM 0 HB3 LEU A 36 -8.652 5.046 -0.841 1.00 24.12 H new ATOM 0 HG LEU A 36 -10.872 5.375 -2.896 1.00 33.15 H new ATOM 0 HD11 LEU A 36 -12.379 5.376 -0.930 1.00 41.13 H new ATOM 0 HD12 LEU A 36 -11.467 3.855 -1.078 1.00 41.13 H new ATOM 0 HD13 LEU A 36 -10.981 5.069 0.128 1.00 41.13 H new ATOM 0 HD21 LEU A 36 -11.441 7.502 -1.761 1.00 62.14 H new ATOM 0 HD22 LEU A 36 -9.979 7.346 -0.758 1.00 62.14 H new ATOM 0 HD23 LEU A 36 -9.831 7.553 -2.520 1.00 62.14 H new ATOM 548 N ILE A 37 -6.254 4.024 -3.618 1.00 11.35 N ATOM 549 CA ILE A 37 -4.910 3.418 -3.692 1.00 10.21 C ATOM 550 C ILE A 37 -4.649 2.871 -5.110 1.00 12.50 C ATOM 551 O ILE A 37 -5.422 2.061 -5.626 1.00 11.11 O ATOM 552 CB ILE A 37 -4.706 2.282 -2.614 1.00 44.14 C ATOM 553 CG1 ILE A 37 -3.266 1.666 -2.700 1.00 12.30 C ATOM 554 CG2 ILE A 37 -5.806 1.202 -2.719 1.00 64.01 C ATOM 555 CD1 ILE A 37 -2.921 0.658 -1.609 1.00 55.24 C ATOM 0 H ILE A 37 -6.881 3.722 -4.364 1.00 11.35 H new ATOM 0 HA ILE A 37 -4.186 4.203 -3.471 1.00 10.21 H new ATOM 0 HB ILE A 37 -4.800 2.738 -1.628 1.00 44.14 H new ATOM 0 HG12 ILE A 37 -3.154 1.180 -3.669 1.00 12.30 H new ATOM 0 HG13 ILE A 37 -2.539 2.477 -2.665 1.00 12.30 H new ATOM 0 HG21 ILE A 37 -5.636 0.435 -1.963 1.00 64.01 H new ATOM 0 HG22 ILE A 37 -6.782 1.660 -2.558 1.00 64.01 H new ATOM 0 HG23 ILE A 37 -5.777 0.748 -3.710 1.00 64.01 H new ATOM 0 HD11 ILE A 37 -1.905 0.293 -1.759 1.00 55.24 H new ATOM 0 HD12 ILE A 37 -2.993 1.139 -0.633 1.00 55.24 H new ATOM 0 HD13 ILE A 37 -3.618 -0.179 -1.653 1.00 55.24 H new ATOM 567 N CYS A 38 -3.565 3.331 -5.735 1.00 4.05 N ATOM 568 CA CYS A 38 -3.160 2.885 -7.076 1.00 1.03 C ATOM 569 C CYS A 38 -1.646 2.969 -7.230 1.00 25.45 C ATOM 570 O CYS A 38 -0.980 3.691 -6.475 1.00 5.42 O ATOM 571 CB CYS A 38 -3.842 3.752 -8.155 1.00 21.34 C ATOM 572 SG CYS A 38 -3.532 5.525 -7.987 1.00 40.41 S ATOM 0 H CYS A 38 -2.939 4.025 -5.328 1.00 4.05 H new ATOM 0 HA CYS A 38 -3.471 1.848 -7.202 1.00 1.03 H new ATOM 0 HB2 CYS A 38 -3.499 3.426 -9.137 1.00 21.34 H new ATOM 0 HB3 CYS A 38 -4.917 3.578 -8.119 1.00 21.34 H new ATOM 0 HG CYS A 38 -4.606 6.114 -7.550 1.00 40.41 H new ATOM 578 N TRP A 39 -1.123 2.248 -8.237 1.00 14.31 N ATOM 579 CA TRP A 39 0.293 2.334 -8.641 1.00 14.23 C ATOM 580 C TRP A 39 0.537 3.665 -9.377 1.00 11.52 C ATOM 581 O TRP A 39 -0.362 4.183 -10.051 1.00 24.14 O ATOM 582 CB TRP A 39 0.703 1.124 -9.550 1.00 30.44 C ATOM 583 CG TRP A 39 -0.298 0.782 -10.649 1.00 75.03 C ATOM 584 CD1 TRP A 39 -1.330 -0.114 -10.560 1.00 41.42 C ATOM 585 CD2 TRP A 39 -0.363 1.313 -11.994 1.00 72.41 C ATOM 586 NE1 TRP A 39 -2.032 -0.155 -11.734 1.00 44.21 N ATOM 587 CE2 TRP A 39 -1.461 0.705 -12.629 1.00 73.24 C ATOM 588 CE3 TRP A 39 0.391 2.244 -12.715 1.00 62.14 C ATOM 589 CZ2 TRP A 39 -1.823 0.995 -13.941 1.00 31.13 C ATOM 590 CZ3 TRP A 39 0.035 2.533 -14.018 1.00 13.11 C ATOM 591 CH2 TRP A 39 -1.066 1.910 -14.619 1.00 22.52 C ATOM 0 H TRP A 39 -1.668 1.590 -8.794 1.00 14.31 H new ATOM 0 HA TRP A 39 0.911 2.295 -7.744 1.00 14.23 H new ATOM 0 HB2 TRP A 39 1.666 1.344 -10.011 1.00 30.44 H new ATOM 0 HB3 TRP A 39 0.844 0.246 -8.920 1.00 30.44 H new ATOM 0 HD1 TRP A 39 -1.558 -0.705 -9.686 1.00 41.42 H new ATOM 0 HE1 TRP A 39 -2.851 -0.735 -11.913 1.00 44.21 H new ATOM 0 HE3 TRP A 39 1.241 2.731 -12.259 1.00 62.14 H new ATOM 0 HZ2 TRP A 39 -2.671 0.515 -14.407 1.00 31.13 H new ATOM 0 HZ3 TRP A 39 0.614 3.250 -14.581 1.00 13.11 H new ATOM 0 HH2 TRP A 39 -1.322 2.157 -15.639 1.00 22.52 H new ATOM 602 N SER A 40 1.746 4.213 -9.216 1.00 62.12 N ATOM 603 CA SER A 40 2.214 5.379 -9.982 1.00 42.00 C ATOM 604 C SER A 40 2.577 4.909 -11.412 1.00 71.22 C ATOM 605 O SER A 40 2.962 3.747 -11.560 1.00 44.03 O ATOM 606 CB SER A 40 3.446 5.985 -9.261 1.00 24.43 C ATOM 607 OG SER A 40 3.167 6.235 -7.889 1.00 4.42 O ATOM 0 H SER A 40 2.432 3.861 -8.549 1.00 62.12 H new ATOM 0 HA SER A 40 1.442 6.145 -10.049 1.00 42.00 H new ATOM 0 HB2 SER A 40 4.292 5.302 -9.344 1.00 24.43 H new ATOM 0 HB3 SER A 40 3.737 6.914 -9.751 1.00 24.43 H new ATOM 0 HG SER A 40 3.963 6.037 -7.352 1.00 4.42 H new ATOM 613 N PRO A 41 2.441 5.765 -12.483 1.00 72.13 N ATOM 614 CA PRO A 41 2.748 5.364 -13.898 1.00 75.15 C ATOM 615 C PRO A 41 4.142 4.703 -14.086 1.00 52.24 C ATOM 616 O PRO A 41 4.315 3.869 -14.987 1.00 14.21 O ATOM 617 CB PRO A 41 2.626 6.699 -14.702 1.00 2.21 C ATOM 618 CG PRO A 41 2.551 7.790 -13.665 1.00 3.45 C ATOM 619 CD PRO A 41 1.933 7.162 -12.433 1.00 53.22 C ATOM 0 HA PRO A 41 2.063 4.588 -14.240 1.00 75.15 H new ATOM 0 HB2 PRO A 41 3.484 6.841 -15.359 1.00 2.21 H new ATOM 0 HB3 PRO A 41 1.738 6.697 -15.334 1.00 2.21 H new ATOM 0 HG2 PRO A 41 3.542 8.186 -13.444 1.00 3.45 H new ATOM 0 HG3 PRO A 41 1.947 8.624 -14.021 1.00 3.45 H new ATOM 0 HD2 PRO A 41 2.242 7.672 -11.521 1.00 53.22 H new ATOM 0 HD3 PRO A 41 0.844 7.197 -12.464 1.00 53.22 H new ATOM 627 N SER A 42 5.114 5.065 -13.220 1.00 50.54 N ATOM 628 CA SER A 42 6.476 4.476 -13.231 1.00 13.23 C ATOM 629 C SER A 42 6.487 3.034 -12.670 1.00 2.42 C ATOM 630 O SER A 42 7.393 2.247 -12.976 1.00 23.22 O ATOM 631 CB SER A 42 7.433 5.373 -12.417 1.00 50.05 C ATOM 632 OG SER A 42 7.436 6.695 -12.926 1.00 21.23 O ATOM 0 H SER A 42 4.980 5.771 -12.496 1.00 50.54 H new ATOM 0 HA SER A 42 6.812 4.423 -14.267 1.00 13.23 H new ATOM 0 HB2 SER A 42 7.129 5.382 -11.370 1.00 50.05 H new ATOM 0 HB3 SER A 42 8.442 4.962 -12.452 1.00 50.05 H new ATOM 0 HG SER A 42 8.047 7.248 -12.396 1.00 21.23 H new ATOM 638 N GLY A 43 5.497 2.715 -11.822 1.00 2.33 N ATOM 639 CA GLY A 43 5.310 1.366 -11.280 1.00 34.22 C ATOM 640 C GLY A 43 6.198 1.061 -10.079 1.00 1.20 C ATOM 641 O GLY A 43 6.127 -0.032 -9.521 1.00 32.13 O ATOM 0 H GLY A 43 4.804 3.388 -11.494 1.00 2.33 H new ATOM 0 HA2 GLY A 43 4.267 1.242 -10.990 1.00 34.22 H new ATOM 0 HA3 GLY A 43 5.512 0.637 -12.065 1.00 34.22 H new ATOM 645 N ASN A 44 7.007 2.043 -9.665 1.00 71.03 N ATOM 646 CA ASN A 44 8.007 1.883 -8.592 1.00 33.23 C ATOM 647 C ASN A 44 7.359 2.032 -7.208 1.00 61.24 C ATOM 648 O ASN A 44 7.852 1.493 -6.218 1.00 72.30 O ATOM 649 CB ASN A 44 9.123 2.955 -8.755 1.00 62.23 C ATOM 650 CG ASN A 44 9.774 2.992 -10.150 1.00 62.14 C ATOM 651 OD1 ASN A 44 9.945 1.844 -10.794 1.00 33.33 O flip ATOM 652 ND2 ASN A 44 10.150 4.060 -10.642 1.00 4.25 N flip ATOM 0 H ASN A 44 6.989 2.981 -10.066 1.00 71.03 H new ATOM 0 HA ASN A 44 8.435 0.883 -8.670 1.00 33.23 H new ATOM 0 HB2 ASN A 44 8.701 3.936 -8.539 1.00 62.23 H new ATOM 0 HB3 ASN A 44 9.898 2.770 -8.011 1.00 62.23 H new ATOM 0 HD21 ASN A 44 10.011 4.933 -10.133 1.00 4.25 H new ATOM 0 HD22 ASN A 44 10.600 4.069 -11.557 1.00 4.25 H new ATOM 659 N SER A 45 6.241 2.762 -7.161 1.00 52.24 N ATOM 660 CA SER A 45 5.610 3.196 -5.904 1.00 65.54 C ATOM 661 C SER A 45 4.083 3.251 -6.065 1.00 71.25 C ATOM 662 O SER A 45 3.562 2.968 -7.153 1.00 74.12 O ATOM 663 CB SER A 45 6.180 4.580 -5.518 1.00 5.33 C ATOM 664 OG SER A 45 6.088 5.494 -6.606 1.00 24.45 O ATOM 0 H SER A 45 5.743 3.072 -7.996 1.00 52.24 H new ATOM 0 HA SER A 45 5.830 2.483 -5.109 1.00 65.54 H new ATOM 0 HB2 SER A 45 5.635 4.975 -4.660 1.00 5.33 H new ATOM 0 HB3 SER A 45 7.221 4.476 -5.214 1.00 5.33 H new ATOM 0 HG SER A 45 5.721 6.345 -6.288 1.00 24.45 H new ATOM 670 N PHE A 46 3.370 3.615 -4.980 1.00 63.32 N ATOM 671 CA PHE A 46 1.901 3.736 -4.996 1.00 4.21 C ATOM 672 C PHE A 46 1.432 4.858 -4.061 1.00 70.34 C ATOM 673 O PHE A 46 2.010 5.049 -2.994 1.00 60.21 O ATOM 674 CB PHE A 46 1.233 2.380 -4.625 1.00 44.33 C ATOM 675 CG PHE A 46 1.532 1.829 -3.226 1.00 3.20 C ATOM 676 CD1 PHE A 46 2.712 1.127 -2.968 1.00 31.25 C ATOM 677 CD2 PHE A 46 0.622 1.988 -2.175 1.00 11.24 C ATOM 678 CE1 PHE A 46 2.972 0.606 -1.715 1.00 3.12 C ATOM 679 CE2 PHE A 46 0.883 1.464 -0.926 1.00 62.01 C ATOM 680 CZ PHE A 46 2.056 0.773 -0.694 1.00 2.34 C ATOM 0 H PHE A 46 3.793 3.831 -4.077 1.00 63.32 H new ATOM 0 HA PHE A 46 1.593 3.998 -6.008 1.00 4.21 H new ATOM 0 HB2 PHE A 46 0.153 2.494 -4.723 1.00 44.33 H new ATOM 0 HB3 PHE A 46 1.543 1.635 -5.358 1.00 44.33 H new ATOM 0 HD1 PHE A 46 3.433 0.989 -3.761 1.00 31.25 H new ATOM 0 HD2 PHE A 46 -0.298 2.529 -2.344 1.00 11.24 H new ATOM 0 HE1 PHE A 46 3.891 0.068 -1.534 1.00 3.12 H new ATOM 0 HE2 PHE A 46 0.168 1.594 -0.127 1.00 62.01 H new ATOM 0 HZ PHE A 46 2.257 0.363 0.285 1.00 2.34 H new ATOM 690 N HIS A 47 0.370 5.575 -4.467 1.00 50.10 N ATOM 691 CA HIS A 47 -0.219 6.670 -3.671 1.00 3.23 C ATOM 692 C HIS A 47 -1.515 6.179 -3.004 1.00 0.52 C ATOM 693 O HIS A 47 -2.191 5.291 -3.533 1.00 74.10 O ATOM 694 CB HIS A 47 -0.526 7.910 -4.556 1.00 54.50 C ATOM 695 CG HIS A 47 0.677 8.624 -5.134 1.00 23.13 C ATOM 696 ND1 HIS A 47 1.024 9.911 -4.790 1.00 11.12 N ATOM 697 CD2 HIS A 47 1.578 8.250 -6.069 1.00 73.14 C ATOM 698 CE1 HIS A 47 2.073 10.289 -5.484 1.00 52.45 C ATOM 699 NE2 HIS A 47 2.433 9.302 -6.268 1.00 0.22 N ATOM 0 H HIS A 47 -0.105 5.413 -5.355 1.00 50.10 H new ATOM 0 HA HIS A 47 0.503 6.966 -2.911 1.00 3.23 H new ATOM 0 HB2 HIS A 47 -1.167 7.595 -5.379 1.00 54.50 H new ATOM 0 HB3 HIS A 47 -1.097 8.624 -3.962 1.00 54.50 H new ATOM 0 HD2 HIS A 47 1.617 7.294 -6.569 1.00 73.14 H new ATOM 0 HE1 HIS A 47 2.558 11.252 -5.420 1.00 52.45 H new ATOM 0 HE2 HIS A 47 3.219 9.315 -6.918 1.00 0.22 H new ATOM 708 N VAL A 48 -1.847 6.775 -1.847 1.00 62.23 N ATOM 709 CA VAL A 48 -3.090 6.506 -1.098 1.00 71.13 C ATOM 710 C VAL A 48 -3.828 7.836 -0.893 1.00 71.05 C ATOM 711 O VAL A 48 -3.216 8.814 -0.477 1.00 23.35 O ATOM 712 CB VAL A 48 -2.808 5.837 0.308 1.00 40.24 C ATOM 713 CG1 VAL A 48 -4.112 5.652 1.127 1.00 71.33 C ATOM 714 CG2 VAL A 48 -2.068 4.488 0.151 1.00 23.30 C ATOM 0 H VAL A 48 -1.251 7.469 -1.397 1.00 62.23 H new ATOM 0 HA VAL A 48 -3.694 5.805 -1.674 1.00 71.13 H new ATOM 0 HB VAL A 48 -2.161 6.518 0.861 1.00 40.24 H new ATOM 0 HG11 VAL A 48 -3.877 5.190 2.086 1.00 71.33 H new ATOM 0 HG12 VAL A 48 -4.576 6.624 1.297 1.00 71.33 H new ATOM 0 HG13 VAL A 48 -4.801 5.012 0.575 1.00 71.33 H new ATOM 0 HG21 VAL A 48 -1.889 4.054 1.135 1.00 23.30 H new ATOM 0 HG22 VAL A 48 -2.678 3.805 -0.441 1.00 23.30 H new ATOM 0 HG23 VAL A 48 -1.115 4.652 -0.352 1.00 23.30 H new ATOM 724 N PHE A 49 -5.132 7.862 -1.179 1.00 5.32 N ATOM 725 CA PHE A 49 -5.987 9.049 -1.003 1.00 1.40 C ATOM 726 C PHE A 49 -7.055 8.760 0.052 1.00 71.22 C ATOM 727 O PHE A 49 -7.490 7.606 0.180 1.00 41.21 O ATOM 728 CB PHE A 49 -6.689 9.427 -2.330 1.00 63.24 C ATOM 729 CG PHE A 49 -5.755 9.954 -3.407 1.00 63.34 C ATOM 730 CD1 PHE A 49 -5.434 11.309 -3.459 1.00 12.35 C ATOM 731 CD2 PHE A 49 -5.204 9.103 -4.370 1.00 33.22 C ATOM 732 CE1 PHE A 49 -4.598 11.797 -4.436 1.00 51.44 C ATOM 733 CE2 PHE A 49 -4.368 9.595 -5.350 1.00 64.12 C ATOM 734 CZ PHE A 49 -4.066 10.941 -5.381 1.00 4.32 C ATOM 0 H PHE A 49 -5.634 7.052 -1.544 1.00 5.32 H new ATOM 0 HA PHE A 49 -5.355 9.879 -0.686 1.00 1.40 H new ATOM 0 HB2 PHE A 49 -7.209 8.549 -2.715 1.00 63.24 H new ATOM 0 HB3 PHE A 49 -7.448 10.182 -2.123 1.00 63.24 H new ATOM 0 HD1 PHE A 49 -5.846 11.984 -2.724 1.00 12.35 H new ATOM 0 HD2 PHE A 49 -5.436 8.048 -4.346 1.00 33.22 H new ATOM 0 HE1 PHE A 49 -4.357 12.849 -4.464 1.00 51.44 H new ATOM 0 HE2 PHE A 49 -3.951 8.929 -6.091 1.00 64.12 H new ATOM 0 HZ PHE A 49 -3.411 11.327 -6.148 1.00 4.32 H new ATOM 744 N ASP A 50 -7.462 9.824 0.787 1.00 61.21 N ATOM 745 CA ASP A 50 -8.623 9.805 1.710 1.00 70.43 C ATOM 746 C ASP A 50 -8.518 8.647 2.713 1.00 12.21 C ATOM 747 O ASP A 50 -9.333 7.735 2.689 1.00 2.04 O ATOM 748 CB ASP A 50 -9.966 9.746 0.910 1.00 61.03 C ATOM 749 CG ASP A 50 -10.158 10.939 -0.044 1.00 31.15 C ATOM 750 OD1 ASP A 50 -10.552 12.029 0.430 1.00 52.04 O ATOM 751 OD2 ASP A 50 -9.922 10.798 -1.271 1.00 20.20 O ATOM 0 H ASP A 50 -6.989 10.727 0.755 1.00 61.21 H new ATOM 0 HA ASP A 50 -8.614 10.733 2.282 1.00 70.43 H new ATOM 0 HB2 ASP A 50 -9.998 8.821 0.335 1.00 61.03 H new ATOM 0 HB3 ASP A 50 -10.799 9.714 1.613 1.00 61.03 H new ATOM 756 N GLN A 51 -7.469 8.699 3.561 1.00 70.21 N ATOM 757 CA GLN A 51 -7.093 7.606 4.488 1.00 50.44 C ATOM 758 C GLN A 51 -8.276 7.087 5.333 1.00 3.10 C ATOM 759 O GLN A 51 -8.313 5.905 5.667 1.00 1.31 O ATOM 760 CB GLN A 51 -5.942 8.056 5.418 1.00 70.31 C ATOM 761 CG GLN A 51 -4.622 8.409 4.697 1.00 60.10 C ATOM 762 CD GLN A 51 -3.485 8.745 5.669 1.00 73.13 C ATOM 763 OE1 GLN A 51 -2.261 8.400 5.300 1.00 4.52 O flip ATOM 764 NE2 GLN A 51 -3.704 9.289 6.754 1.00 24.32 N flip ATOM 0 H GLN A 51 -6.852 9.509 3.623 1.00 70.21 H new ATOM 0 HA GLN A 51 -6.763 6.777 3.862 1.00 50.44 H new ATOM 0 HB2 GLN A 51 -6.272 8.926 5.986 1.00 70.31 H new ATOM 0 HB3 GLN A 51 -5.744 7.262 6.138 1.00 70.31 H new ATOM 0 HG2 GLN A 51 -4.321 7.570 4.069 1.00 60.10 H new ATOM 0 HG3 GLN A 51 -4.791 9.258 4.035 1.00 60.10 H new ATOM 0 HE21 GLN A 51 -4.657 9.544 7.013 1.00 24.32 H new ATOM 0 HE22 GLN A 51 -2.932 9.484 7.392 1.00 24.32 H new ATOM 773 N GLY A 52 -9.211 7.986 5.687 1.00 41.10 N ATOM 774 CA GLY A 52 -10.409 7.606 6.434 1.00 11.11 C ATOM 775 C GLY A 52 -11.345 6.705 5.620 1.00 65.41 C ATOM 776 O GLY A 52 -11.860 5.708 6.137 1.00 2.24 O ATOM 0 H GLY A 52 -9.154 8.980 5.465 1.00 41.10 H new ATOM 0 HA2 GLY A 52 -10.115 7.089 7.348 1.00 11.11 H new ATOM 0 HA3 GLY A 52 -10.946 8.505 6.735 1.00 11.11 H new ATOM 780 N GLN A 53 -11.561 7.057 4.342 1.00 61.44 N ATOM 781 CA GLN A 53 -12.467 6.319 3.437 1.00 63.34 C ATOM 782 C GLN A 53 -11.816 4.994 3.004 1.00 40.24 C ATOM 783 O GLN A 53 -12.462 3.946 3.008 1.00 34.15 O ATOM 784 CB GLN A 53 -12.800 7.199 2.200 1.00 4.54 C ATOM 785 CG GLN A 53 -13.892 6.622 1.269 1.00 34.03 C ATOM 786 CD GLN A 53 -15.260 6.454 1.938 1.00 71.34 C ATOM 787 OE1 GLN A 53 -15.633 7.203 2.844 1.00 35.54 O ATOM 788 NE2 GLN A 53 -16.028 5.479 1.493 1.00 63.21 N ATOM 0 H GLN A 53 -11.113 7.862 3.904 1.00 61.44 H new ATOM 0 HA GLN A 53 -13.394 6.089 3.962 1.00 63.34 H new ATOM 0 HB2 GLN A 53 -13.120 8.182 2.546 1.00 4.54 H new ATOM 0 HB3 GLN A 53 -11.889 7.346 1.620 1.00 4.54 H new ATOM 0 HG2 GLN A 53 -14.000 7.277 0.404 1.00 34.03 H new ATOM 0 HG3 GLN A 53 -13.561 5.653 0.895 1.00 34.03 H new ATOM 0 HE21 GLN A 53 -15.698 4.872 0.743 1.00 63.21 H new ATOM 0 HE22 GLN A 53 -16.952 5.332 1.899 1.00 63.21 H new ATOM 797 N PHE A 54 -10.526 5.090 2.629 1.00 25.12 N ATOM 798 CA PHE A 54 -9.649 3.951 2.291 1.00 52.12 C ATOM 799 C PHE A 54 -9.687 2.872 3.377 1.00 53.42 C ATOM 800 O PHE A 54 -9.940 1.700 3.098 1.00 41.11 O ATOM 801 CB PHE A 54 -8.196 4.498 2.063 1.00 52.15 C ATOM 802 CG PHE A 54 -7.065 3.458 2.055 1.00 55.03 C ATOM 803 CD1 PHE A 54 -6.757 2.725 0.908 1.00 2.45 C ATOM 804 CD2 PHE A 54 -6.300 3.218 3.205 1.00 5.32 C ATOM 805 CE1 PHE A 54 -5.731 1.792 0.916 1.00 22.10 C ATOM 806 CE2 PHE A 54 -5.281 2.285 3.204 1.00 13.24 C ATOM 807 CZ PHE A 54 -4.998 1.573 2.061 1.00 75.21 C ATOM 0 H PHE A 54 -10.051 5.989 2.550 1.00 25.12 H new ATOM 0 HA PHE A 54 -10.003 3.473 1.378 1.00 52.12 H new ATOM 0 HB2 PHE A 54 -8.177 5.030 1.112 1.00 52.15 H new ATOM 0 HB3 PHE A 54 -7.981 5.230 2.842 1.00 52.15 H new ATOM 0 HD1 PHE A 54 -7.324 2.886 0.003 1.00 2.45 H new ATOM 0 HD2 PHE A 54 -6.511 3.772 4.108 1.00 5.32 H new ATOM 0 HE1 PHE A 54 -5.506 1.234 0.019 1.00 22.10 H new ATOM 0 HE2 PHE A 54 -4.706 2.114 4.102 1.00 13.24 H new ATOM 0 HZ PHE A 54 -4.202 0.843 2.062 1.00 75.21 H new ATOM 817 N ALA A 55 -9.455 3.294 4.616 1.00 20.52 N ATOM 818 CA ALA A 55 -9.441 2.391 5.762 1.00 50.31 C ATOM 819 C ALA A 55 -10.813 1.717 5.970 1.00 34.45 C ATOM 820 O ALA A 55 -10.893 0.534 6.316 1.00 24.31 O ATOM 821 CB ALA A 55 -9.004 3.161 7.006 1.00 60.04 C ATOM 0 H ALA A 55 -9.272 4.269 4.854 1.00 20.52 H new ATOM 0 HA ALA A 55 -8.726 1.591 5.571 1.00 50.31 H new ATOM 0 HB1 ALA A 55 -8.992 2.489 7.864 1.00 60.04 H new ATOM 0 HB2 ALA A 55 -8.005 3.568 6.850 1.00 60.04 H new ATOM 0 HB3 ALA A 55 -9.702 3.977 7.193 1.00 60.04 H new ATOM 827 N LYS A 56 -11.883 2.478 5.706 1.00 24.22 N ATOM 828 CA LYS A 56 -13.268 2.051 5.940 1.00 52.05 C ATOM 829 C LYS A 56 -13.704 0.884 5.013 1.00 21.14 C ATOM 830 O LYS A 56 -14.282 -0.093 5.499 1.00 53.01 O ATOM 831 CB LYS A 56 -14.198 3.305 5.833 1.00 13.42 C ATOM 832 CG LYS A 56 -15.727 3.041 5.692 1.00 50.43 C ATOM 833 CD LYS A 56 -16.221 3.087 4.217 1.00 61.05 C ATOM 834 CE LYS A 56 -17.629 2.507 4.038 1.00 63.33 C ATOM 835 NZ LYS A 56 -18.078 2.534 2.617 1.00 40.32 N ATOM 0 H LYS A 56 -11.810 3.419 5.319 1.00 24.22 H new ATOM 0 HA LYS A 56 -13.351 1.636 6.944 1.00 52.05 H new ATOM 0 HB2 LYS A 56 -14.041 3.920 6.719 1.00 13.42 H new ATOM 0 HB3 LYS A 56 -13.875 3.894 4.975 1.00 13.42 H new ATOM 0 HG2 LYS A 56 -15.962 2.065 6.117 1.00 50.43 H new ATOM 0 HG3 LYS A 56 -16.273 3.783 6.275 1.00 50.43 H new ATOM 0 HD2 LYS A 56 -16.213 4.120 3.869 1.00 61.05 H new ATOM 0 HD3 LYS A 56 -15.523 2.533 3.589 1.00 61.05 H new ATOM 0 HE2 LYS A 56 -17.645 1.480 4.402 1.00 63.33 H new ATOM 0 HE3 LYS A 56 -18.332 3.072 4.649 1.00 63.33 H new ATOM 0 HZ1 LYS A 56 -19.114 2.615 2.582 1.00 40.32 H new ATOM 0 HZ2 LYS A 56 -17.650 3.349 2.133 1.00 40.32 H new ATOM 0 HZ3 LYS A 56 -17.783 1.656 2.143 1.00 40.32 H new ATOM 849 N GLU A 57 -13.423 0.980 3.698 1.00 74.42 N ATOM 850 CA GLU A 57 -13.953 0.009 2.685 1.00 22.13 C ATOM 851 C GLU A 57 -12.866 -0.878 2.021 1.00 52.32 C ATOM 852 O GLU A 57 -13.122 -2.043 1.715 1.00 23.24 O ATOM 853 CB GLU A 57 -14.745 0.791 1.601 1.00 63.53 C ATOM 854 CG GLU A 57 -13.978 1.968 0.961 1.00 51.04 C ATOM 855 CD GLU A 57 -14.736 2.671 -0.170 1.00 3.21 C ATOM 856 OE1 GLU A 57 -15.936 2.967 0.011 1.00 63.43 O ATOM 857 OE2 GLU A 57 -14.152 2.913 -1.246 1.00 55.51 O ATOM 0 H GLU A 57 -12.835 1.713 3.301 1.00 74.42 H new ATOM 0 HA GLU A 57 -14.602 -0.682 3.222 1.00 22.13 H new ATOM 0 HB2 GLU A 57 -15.039 0.096 0.814 1.00 63.53 H new ATOM 0 HB3 GLU A 57 -15.663 1.174 2.047 1.00 63.53 H new ATOM 0 HG2 GLU A 57 -13.744 2.699 1.735 1.00 51.04 H new ATOM 0 HG3 GLU A 57 -13.028 1.600 0.573 1.00 51.04 H new ATOM 864 N VAL A 58 -11.670 -0.325 1.826 1.00 50.43 N ATOM 865 CA VAL A 58 -10.592 -0.956 1.027 1.00 0.30 C ATOM 866 C VAL A 58 -9.788 -1.989 1.854 1.00 33.02 C ATOM 867 O VAL A 58 -9.497 -3.111 1.377 1.00 11.45 O ATOM 868 CB VAL A 58 -9.645 0.170 0.474 1.00 22.22 C ATOM 869 CG1 VAL A 58 -8.444 -0.402 -0.269 1.00 41.34 C ATOM 870 CG2 VAL A 58 -10.428 1.164 -0.419 1.00 22.54 C ATOM 0 H VAL A 58 -11.408 0.580 2.216 1.00 50.43 H new ATOM 0 HA VAL A 58 -11.045 -1.501 0.199 1.00 0.30 H new ATOM 0 HB VAL A 58 -9.258 0.714 1.336 1.00 22.22 H new ATOM 0 HG11 VAL A 58 -7.819 0.414 -0.633 1.00 41.34 H new ATOM 0 HG12 VAL A 58 -7.864 -1.031 0.407 1.00 41.34 H new ATOM 0 HG13 VAL A 58 -8.789 -0.999 -1.113 1.00 41.34 H new ATOM 0 HG21 VAL A 58 -9.750 1.933 -0.789 1.00 22.54 H new ATOM 0 HG22 VAL A 58 -10.865 0.629 -1.262 1.00 22.54 H new ATOM 0 HG23 VAL A 58 -11.222 1.630 0.165 1.00 22.54 H new ATOM 880 N LEU A 59 -9.429 -1.610 3.093 1.00 62.41 N ATOM 881 CA LEU A 59 -8.675 -2.494 4.003 1.00 10.04 C ATOM 882 C LEU A 59 -9.477 -3.765 4.410 1.00 11.21 C ATOM 883 O LEU A 59 -8.905 -4.844 4.369 1.00 13.55 O ATOM 884 CB LEU A 59 -8.144 -1.720 5.243 1.00 63.34 C ATOM 885 CG LEU A 59 -6.977 -0.720 4.976 1.00 5.24 C ATOM 886 CD1 LEU A 59 -6.524 -0.058 6.281 1.00 40.43 C ATOM 887 CD2 LEU A 59 -5.789 -1.407 4.265 1.00 40.34 C ATOM 0 H LEU A 59 -9.649 -0.696 3.489 1.00 62.41 H new ATOM 0 HA LEU A 59 -7.809 -2.849 3.444 1.00 10.04 H new ATOM 0 HB2 LEU A 59 -8.974 -1.169 5.686 1.00 63.34 H new ATOM 0 HB3 LEU A 59 -7.811 -2.446 5.985 1.00 63.34 H new ATOM 0 HG LEU A 59 -7.352 0.055 4.308 1.00 5.24 H new ATOM 0 HD11 LEU A 59 -5.709 0.636 6.073 1.00 40.43 H new ATOM 0 HD12 LEU A 59 -7.360 0.485 6.723 1.00 40.43 H new ATOM 0 HD13 LEU A 59 -6.180 -0.823 6.977 1.00 40.43 H new ATOM 0 HD21 LEU A 59 -4.996 -0.679 4.096 1.00 40.34 H new ATOM 0 HD22 LEU A 59 -5.411 -2.217 4.889 1.00 40.34 H new ATOM 0 HD23 LEU A 59 -6.121 -1.810 3.308 1.00 40.34 H new ATOM 899 N PRO A 60 -10.794 -3.698 4.820 1.00 71.21 N ATOM 900 CA PRO A 60 -11.598 -4.931 5.098 1.00 53.41 C ATOM 901 C PRO A 60 -11.880 -5.772 3.828 1.00 31.32 C ATOM 902 O PRO A 60 -12.302 -6.930 3.933 1.00 35.14 O ATOM 903 CB PRO A 60 -12.910 -4.382 5.716 1.00 33.35 C ATOM 904 CG PRO A 60 -13.009 -2.980 5.203 1.00 73.11 C ATOM 905 CD PRO A 60 -11.592 -2.470 5.113 1.00 70.44 C ATOM 0 HA PRO A 60 -11.066 -5.618 5.756 1.00 53.41 H new ATOM 0 HB2 PRO A 60 -13.771 -4.977 5.412 1.00 33.35 H new ATOM 0 HB3 PRO A 60 -12.875 -4.404 6.805 1.00 33.35 H new ATOM 0 HG2 PRO A 60 -13.496 -2.955 4.228 1.00 73.11 H new ATOM 0 HG3 PRO A 60 -13.605 -2.360 5.873 1.00 73.11 H new ATOM 0 HD2 PRO A 60 -11.484 -1.724 4.325 1.00 70.44 H new ATOM 0 HD3 PRO A 60 -11.276 -1.999 6.044 1.00 70.44 H new ATOM 913 N LYS A 61 -11.669 -5.168 2.637 1.00 72.22 N ATOM 914 CA LYS A 61 -11.826 -5.852 1.332 1.00 75.01 C ATOM 915 C LYS A 61 -10.665 -6.836 1.096 1.00 13.43 C ATOM 916 O LYS A 61 -10.896 -8.002 0.761 1.00 53.53 O ATOM 917 CB LYS A 61 -11.918 -4.800 0.190 1.00 22.22 C ATOM 918 CG LYS A 61 -12.110 -5.359 -1.247 1.00 63.31 C ATOM 919 CD LYS A 61 -12.330 -4.226 -2.287 1.00 70.04 C ATOM 920 CE LYS A 61 -12.561 -4.744 -3.725 1.00 61.31 C ATOM 921 NZ LYS A 61 -11.334 -5.333 -4.333 1.00 70.34 N ATOM 0 H LYS A 61 -11.385 -4.192 2.553 1.00 72.22 H new ATOM 0 HA LYS A 61 -12.751 -6.429 1.340 1.00 75.01 H new ATOM 0 HB2 LYS A 61 -12.748 -4.128 0.410 1.00 22.22 H new ATOM 0 HB3 LYS A 61 -11.009 -4.199 0.205 1.00 22.22 H new ATOM 0 HG2 LYS A 61 -11.235 -5.945 -1.528 1.00 63.31 H new ATOM 0 HG3 LYS A 61 -12.964 -6.036 -1.262 1.00 63.31 H new ATOM 0 HD2 LYS A 61 -13.188 -3.627 -1.983 1.00 70.04 H new ATOM 0 HD3 LYS A 61 -11.463 -3.566 -2.282 1.00 70.04 H new ATOM 0 HE2 LYS A 61 -13.351 -5.495 -3.713 1.00 61.31 H new ATOM 0 HE3 LYS A 61 -12.912 -3.923 -4.350 1.00 61.31 H new ATOM 0 HZ1 LYS A 61 -11.589 -6.183 -4.875 1.00 70.34 H new ATOM 0 HZ2 LYS A 61 -10.893 -4.637 -4.968 1.00 70.34 H new ATOM 0 HZ3 LYS A 61 -10.663 -5.590 -3.581 1.00 70.34 H new ATOM 935 N TYR A 62 -9.421 -6.357 1.264 1.00 74.30 N ATOM 936 CA TYR A 62 -8.212 -7.206 1.069 1.00 2.11 C ATOM 937 C TYR A 62 -7.739 -7.855 2.361 1.00 10.31 C ATOM 938 O TYR A 62 -7.543 -9.072 2.420 1.00 1.35 O ATOM 939 CB TYR A 62 -7.077 -6.404 0.391 1.00 15.05 C ATOM 940 CG TYR A 62 -7.313 -6.279 -1.108 1.00 33.31 C ATOM 941 CD1 TYR A 62 -8.258 -5.387 -1.606 1.00 41.54 C ATOM 942 CD2 TYR A 62 -6.655 -7.114 -2.008 1.00 72.45 C ATOM 943 CE1 TYR A 62 -8.527 -5.312 -2.949 1.00 21.44 C ATOM 944 CE2 TYR A 62 -6.932 -7.056 -3.352 1.00 13.35 C ATOM 945 CZ TYR A 62 -7.866 -6.155 -3.823 1.00 54.42 C ATOM 946 OH TYR A 62 -8.151 -6.113 -5.165 1.00 23.43 O ATOM 0 H TYR A 62 -9.217 -5.394 1.533 1.00 74.30 H new ATOM 0 HA TYR A 62 -8.499 -8.020 0.403 1.00 2.11 H new ATOM 0 HB2 TYR A 62 -7.013 -5.411 0.836 1.00 15.05 H new ATOM 0 HB3 TYR A 62 -6.122 -6.896 0.572 1.00 15.05 H new ATOM 0 HD1 TYR A 62 -8.790 -4.742 -0.922 1.00 41.54 H new ATOM 0 HD2 TYR A 62 -5.918 -7.815 -1.645 1.00 72.45 H new ATOM 0 HE1 TYR A 62 -9.249 -4.600 -3.321 1.00 21.44 H new ATOM 0 HE2 TYR A 62 -6.420 -7.714 -4.039 1.00 13.35 H new ATOM 0 HH TYR A 62 -8.916 -5.520 -5.319 1.00 23.43 H new ATOM 956 N PHE A 63 -7.562 -7.038 3.389 1.00 40.15 N ATOM 957 CA PHE A 63 -7.096 -7.491 4.711 1.00 40.04 C ATOM 958 C PHE A 63 -8.322 -7.843 5.579 1.00 44.13 C ATOM 959 O PHE A 63 -9.456 -7.858 5.084 1.00 65.14 O ATOM 960 CB PHE A 63 -6.219 -6.381 5.349 1.00 3.31 C ATOM 961 CG PHE A 63 -4.994 -6.001 4.513 1.00 21.21 C ATOM 962 CD1 PHE A 63 -5.071 -5.012 3.524 1.00 4.43 C ATOM 963 CD2 PHE A 63 -3.770 -6.647 4.699 1.00 12.03 C ATOM 964 CE1 PHE A 63 -3.968 -4.688 2.755 1.00 15.21 C ATOM 965 CE2 PHE A 63 -2.673 -6.315 3.932 1.00 0.20 C ATOM 966 CZ PHE A 63 -2.769 -5.339 2.960 1.00 31.32 C ATOM 0 H PHE A 63 -7.736 -6.034 3.339 1.00 40.15 H new ATOM 0 HA PHE A 63 -6.481 -8.387 4.625 1.00 40.04 H new ATOM 0 HB2 PHE A 63 -6.831 -5.492 5.504 1.00 3.31 H new ATOM 0 HB3 PHE A 63 -5.887 -6.714 6.332 1.00 3.31 H new ATOM 0 HD1 PHE A 63 -6.005 -4.495 3.360 1.00 4.43 H new ATOM 0 HD2 PHE A 63 -3.681 -7.416 5.452 1.00 12.03 H new ATOM 0 HE1 PHE A 63 -4.045 -3.925 1.994 1.00 15.21 H new ATOM 0 HE2 PHE A 63 -1.733 -6.822 4.093 1.00 0.20 H new ATOM 0 HZ PHE A 63 -1.907 -5.086 2.361 1.00 31.32 H new ATOM 976 N LYS A 64 -8.108 -8.120 6.872 1.00 3.10 N ATOM 977 CA LYS A 64 -9.183 -8.577 7.784 1.00 65.42 C ATOM 978 C LYS A 64 -9.377 -7.569 8.933 1.00 13.24 C ATOM 979 O LYS A 64 -9.646 -7.945 10.078 1.00 4.54 O ATOM 980 CB LYS A 64 -8.843 -10.007 8.290 1.00 43.24 C ATOM 981 CG LYS A 64 -7.426 -10.160 8.886 1.00 0.11 C ATOM 982 CD LYS A 64 -7.117 -11.612 9.318 1.00 63.34 C ATOM 983 CE LYS A 64 -5.683 -11.781 9.849 1.00 40.14 C ATOM 984 NZ LYS A 64 -5.408 -13.181 10.272 1.00 43.31 N ATOM 0 H LYS A 64 -7.195 -8.037 7.319 1.00 3.10 H new ATOM 0 HA LYS A 64 -10.134 -8.627 7.254 1.00 65.42 H new ATOM 0 HB2 LYS A 64 -9.574 -10.293 9.046 1.00 43.24 H new ATOM 0 HB3 LYS A 64 -8.951 -10.707 7.461 1.00 43.24 H new ATOM 0 HG2 LYS A 64 -6.689 -9.839 8.149 1.00 0.11 H new ATOM 0 HG3 LYS A 64 -7.325 -9.499 9.747 1.00 0.11 H new ATOM 0 HD2 LYS A 64 -7.824 -11.915 10.090 1.00 63.34 H new ATOM 0 HD3 LYS A 64 -7.267 -12.279 8.469 1.00 63.34 H new ATOM 0 HE2 LYS A 64 -4.973 -11.490 9.075 1.00 40.14 H new ATOM 0 HE3 LYS A 64 -5.527 -11.110 10.693 1.00 40.14 H new ATOM 0 HZ1 LYS A 64 -4.432 -13.252 10.623 1.00 43.31 H new ATOM 0 HZ2 LYS A 64 -6.069 -13.451 11.028 1.00 43.31 H new ATOM 0 HZ3 LYS A 64 -5.531 -13.819 9.460 1.00 43.31 H new ATOM 998 N HIS A 65 -9.313 -6.276 8.576 1.00 1.04 N ATOM 999 CA HIS A 65 -9.412 -5.152 9.534 1.00 3.43 C ATOM 1000 C HIS A 65 -9.744 -3.861 8.768 1.00 12.43 C ATOM 1001 O HIS A 65 -9.550 -3.790 7.554 1.00 44.03 O ATOM 1002 CB HIS A 65 -8.090 -4.964 10.330 1.00 4.34 C ATOM 1003 CG HIS A 65 -6.898 -4.582 9.477 1.00 65.31 C ATOM 1004 ND1 HIS A 65 -6.432 -3.287 9.352 1.00 13.20 N ATOM 1005 CD2 HIS A 65 -6.089 -5.336 8.695 1.00 54.55 C ATOM 1006 CE1 HIS A 65 -5.394 -3.273 8.539 1.00 24.04 C ATOM 1007 NE2 HIS A 65 -5.169 -4.497 8.128 1.00 72.11 N ATOM 0 H HIS A 65 -9.190 -5.974 7.609 1.00 1.04 H new ATOM 0 HA HIS A 65 -10.203 -5.379 10.249 1.00 3.43 H new ATOM 0 HB2 HIS A 65 -8.242 -4.195 11.087 1.00 4.34 H new ATOM 0 HB3 HIS A 65 -7.862 -5.890 10.858 1.00 4.34 H new ATOM 0 HD1 HIS A 65 -6.829 -2.470 9.816 1.00 13.20 H new ATOM 0 HD2 HIS A 65 -6.158 -6.404 8.546 1.00 54.55 H new ATOM 0 HE1 HIS A 65 -4.825 -2.399 8.259 1.00 24.04 H new ATOM 1016 N ASN A 66 -10.176 -2.831 9.500 1.00 72.25 N ATOM 1017 CA ASN A 66 -10.523 -1.514 8.925 1.00 12.52 C ATOM 1018 C ASN A 66 -9.426 -0.486 9.270 1.00 23.23 C ATOM 1019 O ASN A 66 -9.135 0.398 8.476 1.00 11.33 O ATOM 1020 CB ASN A 66 -11.904 -1.017 9.440 1.00 33.13 C ATOM 1021 CG ASN A 66 -13.068 -1.955 9.104 1.00 32.25 C ATOM 1022 OD1 ASN A 66 -13.791 -1.655 8.039 1.00 12.00 O flip ATOM 1023 ND2 ASN A 66 -13.337 -2.926 9.812 1.00 10.40 N flip ATOM 0 H ASN A 66 -10.298 -2.880 10.512 1.00 72.25 H new ATOM 0 HA ASN A 66 -10.590 -1.623 7.843 1.00 12.52 H new ATOM 0 HB2 ASN A 66 -11.853 -0.891 10.521 1.00 33.13 H new ATOM 0 HB3 ASN A 66 -12.107 -0.035 9.013 1.00 33.13 H new ATOM 0 HD21 ASN A 66 -12.763 -3.136 10.629 1.00 10.40 H new ATOM 0 HD22 ASN A 66 -14.134 -3.520 9.582 1.00 10.40 H new ATOM 1030 N ASN A 67 -8.818 -0.626 10.462 1.00 11.41 N ATOM 1031 CA ASN A 67 -7.842 0.360 11.003 1.00 44.31 C ATOM 1032 C ASN A 67 -6.568 0.482 10.121 1.00 64.13 C ATOM 1033 O ASN A 67 -5.896 -0.519 9.847 1.00 14.13 O ATOM 1034 CB ASN A 67 -7.460 -0.029 12.456 1.00 10.12 C ATOM 1035 CG ASN A 67 -6.423 0.913 13.083 1.00 53.13 C ATOM 1036 OD1 ASN A 67 -5.224 0.644 13.056 1.00 31.04 O ATOM 1037 ND2 ASN A 67 -6.872 2.032 13.622 1.00 72.14 N ATOM 0 H ASN A 67 -8.983 -1.420 11.081 1.00 11.41 H new ATOM 0 HA ASN A 67 -8.323 1.338 10.997 1.00 44.31 H new ATOM 0 HB2 ASN A 67 -8.359 -0.031 13.073 1.00 10.12 H new ATOM 0 HB3 ASN A 67 -7.067 -1.046 12.461 1.00 10.12 H new ATOM 0 HD21 ASN A 67 -6.218 2.700 14.030 1.00 72.14 H new ATOM 0 HD22 ASN A 67 -7.873 2.229 13.630 1.00 72.14 H new ATOM 1044 N MET A 68 -6.225 1.730 9.723 1.00 44.23 N ATOM 1045 CA MET A 68 -5.076 2.004 8.824 1.00 21.20 C ATOM 1046 C MET A 68 -3.772 2.189 9.621 1.00 44.31 C ATOM 1047 O MET A 68 -2.687 1.971 9.081 1.00 30.35 O ATOM 1048 CB MET A 68 -5.329 3.244 7.913 1.00 75.34 C ATOM 1049 CG MET A 68 -4.227 3.492 6.871 1.00 54.31 C ATOM 1050 SD MET A 68 -4.522 4.952 5.869 1.00 2.42 S ATOM 1051 CE MET A 68 -3.124 4.845 4.762 1.00 54.11 C ATOM 0 H MET A 68 -6.730 2.568 10.012 1.00 44.23 H new ATOM 0 HA MET A 68 -4.969 1.131 8.180 1.00 21.20 H new ATOM 0 HB2 MET A 68 -6.280 3.114 7.396 1.00 75.34 H new ATOM 0 HB3 MET A 68 -5.426 4.129 8.541 1.00 75.34 H new ATOM 0 HG2 MET A 68 -3.269 3.596 7.381 1.00 54.31 H new ATOM 0 HG3 MET A 68 -4.148 2.621 6.220 1.00 54.31 H new ATOM 0 HE1 MET A 68 -3.067 5.751 4.159 1.00 54.11 H new ATOM 0 HE2 MET A 68 -2.208 4.737 5.342 1.00 54.11 H new ATOM 0 HE3 MET A 68 -3.243 3.981 4.108 1.00 54.11 H new ATOM 1061 N ALA A 69 -3.881 2.568 10.904 1.00 12.31 N ATOM 1062 CA ALA A 69 -2.710 2.781 11.786 1.00 74.04 C ATOM 1063 C ALA A 69 -1.850 1.498 11.895 1.00 13.22 C ATOM 1064 O ALA A 69 -0.609 1.549 11.903 1.00 53.44 O ATOM 1065 CB ALA A 69 -3.192 3.236 13.166 1.00 24.43 C ATOM 0 H ALA A 69 -4.776 2.736 11.363 1.00 12.31 H new ATOM 0 HA ALA A 69 -2.078 3.557 11.353 1.00 74.04 H new ATOM 0 HB1 ALA A 69 -2.333 3.394 13.818 1.00 24.43 H new ATOM 0 HB2 ALA A 69 -3.749 4.168 13.068 1.00 24.43 H new ATOM 0 HB3 ALA A 69 -3.838 2.471 13.596 1.00 24.43 H new ATOM 1071 N SER A 70 -2.550 0.350 11.947 1.00 51.44 N ATOM 1072 CA SER A 70 -1.953 -0.988 11.973 1.00 40.21 C ATOM 1073 C SER A 70 -1.286 -1.325 10.622 1.00 21.33 C ATOM 1074 O SER A 70 -0.196 -1.900 10.594 1.00 34.51 O ATOM 1075 CB SER A 70 -3.050 -2.023 12.311 1.00 51.34 C ATOM 1076 OG SER A 70 -2.507 -3.319 12.503 1.00 62.42 O ATOM 0 H SER A 70 -3.570 0.332 11.973 1.00 51.44 H new ATOM 0 HA SER A 70 -1.176 -1.017 12.737 1.00 40.21 H new ATOM 0 HB2 SER A 70 -3.578 -1.712 13.213 1.00 51.34 H new ATOM 0 HB3 SER A 70 -3.784 -2.052 11.506 1.00 51.34 H new ATOM 0 HG SER A 70 -3.228 -3.947 12.716 1.00 62.42 H new ATOM 1082 N PHE A 71 -1.959 -0.933 9.519 1.00 74.23 N ATOM 1083 CA PHE A 71 -1.497 -1.161 8.130 1.00 23.41 C ATOM 1084 C PHE A 71 -0.155 -0.429 7.866 1.00 41.14 C ATOM 1085 O PHE A 71 0.801 -1.026 7.352 1.00 72.31 O ATOM 1086 CB PHE A 71 -2.619 -0.689 7.151 1.00 13.23 C ATOM 1087 CG PHE A 71 -2.250 -0.652 5.665 1.00 44.21 C ATOM 1088 CD1 PHE A 71 -2.107 -1.830 4.928 1.00 63.32 C ATOM 1089 CD2 PHE A 71 -2.061 0.566 4.996 1.00 53.42 C ATOM 1090 CE1 PHE A 71 -1.787 -1.791 3.581 1.00 14.33 C ATOM 1091 CE2 PHE A 71 -1.741 0.598 3.653 1.00 70.24 C ATOM 1092 CZ PHE A 71 -1.603 -0.578 2.946 1.00 21.12 C ATOM 0 H PHE A 71 -2.852 -0.442 9.568 1.00 74.23 H new ATOM 0 HA PHE A 71 -1.308 -2.222 7.969 1.00 23.41 H new ATOM 0 HB2 PHE A 71 -3.479 -1.347 7.274 1.00 13.23 H new ATOM 0 HB3 PHE A 71 -2.936 0.310 7.450 1.00 13.23 H new ATOM 0 HD1 PHE A 71 -2.248 -2.784 5.415 1.00 63.32 H new ATOM 0 HD2 PHE A 71 -2.167 1.493 5.539 1.00 53.42 H new ATOM 0 HE1 PHE A 71 -1.681 -2.711 3.026 1.00 14.33 H new ATOM 0 HE2 PHE A 71 -1.599 1.546 3.155 1.00 70.24 H new ATOM 0 HZ PHE A 71 -1.351 -0.551 1.896 1.00 21.12 H new ATOM 1102 N VAL A 72 -0.108 0.859 8.252 1.00 22.03 N ATOM 1103 CA VAL A 72 1.089 1.709 8.126 1.00 14.44 C ATOM 1104 C VAL A 72 2.235 1.195 9.030 1.00 24.44 C ATOM 1105 O VAL A 72 3.392 1.188 8.602 1.00 52.34 O ATOM 1106 CB VAL A 72 0.754 3.210 8.464 1.00 13.14 C ATOM 1107 CG1 VAL A 72 1.998 4.119 8.363 1.00 64.14 C ATOM 1108 CG2 VAL A 72 -0.382 3.744 7.556 1.00 73.34 C ATOM 0 H VAL A 72 -0.906 1.343 8.663 1.00 22.03 H new ATOM 0 HA VAL A 72 1.422 1.657 7.090 1.00 14.44 H new ATOM 0 HB VAL A 72 0.413 3.234 9.499 1.00 13.14 H new ATOM 0 HG11 VAL A 72 1.720 5.145 8.604 1.00 64.14 H new ATOM 0 HG12 VAL A 72 2.758 3.775 9.064 1.00 64.14 H new ATOM 0 HG13 VAL A 72 2.396 4.080 7.349 1.00 64.14 H new ATOM 0 HG21 VAL A 72 -0.593 4.783 7.811 1.00 73.34 H new ATOM 0 HG22 VAL A 72 -0.073 3.682 6.512 1.00 73.34 H new ATOM 0 HG23 VAL A 72 -1.280 3.144 7.705 1.00 73.34 H new ATOM 1118 N ARG A 73 1.896 0.733 10.267 1.00 44.50 N ATOM 1119 CA ARG A 73 2.885 0.176 11.227 1.00 41.11 C ATOM 1120 C ARG A 73 3.698 -0.962 10.582 1.00 71.11 C ATOM 1121 O ARG A 73 4.927 -1.011 10.724 1.00 41.22 O ATOM 1122 CB ARG A 73 2.180 -0.349 12.514 1.00 64.42 C ATOM 1123 CG ARG A 73 3.131 -1.027 13.543 1.00 54.34 C ATOM 1124 CD ARG A 73 2.389 -1.723 14.701 1.00 43.43 C ATOM 1125 NE ARG A 73 3.304 -2.494 15.577 1.00 0.35 N ATOM 1126 CZ ARG A 73 3.714 -3.763 15.358 1.00 33.24 C ATOM 1127 NH1 ARG A 73 3.296 -4.447 14.296 1.00 61.40 N ATOM 1128 NH2 ARG A 73 4.545 -4.345 16.224 1.00 1.44 N ATOM 0 H ARG A 73 0.939 0.737 10.621 1.00 44.50 H new ATOM 0 HA ARG A 73 3.564 0.983 11.502 1.00 41.11 H new ATOM 0 HB2 ARG A 73 1.674 0.485 13.001 1.00 64.42 H new ATOM 0 HB3 ARG A 73 1.410 -1.064 12.225 1.00 64.42 H new ATOM 0 HG2 ARG A 73 3.750 -1.760 13.026 1.00 54.34 H new ATOM 0 HG3 ARG A 73 3.805 -0.275 13.954 1.00 54.34 H new ATOM 0 HD2 ARG A 73 1.866 -0.974 15.296 1.00 43.43 H new ATOM 0 HD3 ARG A 73 1.631 -2.392 14.293 1.00 43.43 H new ATOM 0 HE ARG A 73 3.653 -2.028 16.414 1.00 0.35 H new ATOM 0 HH11 ARG A 73 2.655 -4.014 13.631 1.00 61.40 H new ATOM 0 HH12 ARG A 73 3.616 -5.404 14.147 1.00 61.40 H new ATOM 0 HH21 ARG A 73 4.867 -3.833 17.045 1.00 1.44 H new ATOM 0 HH22 ARG A 73 4.859 -5.303 16.065 1.00 1.44 H new ATOM 1142 N GLN A 74 2.988 -1.847 9.853 1.00 31.13 N ATOM 1143 CA GLN A 74 3.602 -2.987 9.167 1.00 24.24 C ATOM 1144 C GLN A 74 4.602 -2.498 8.108 1.00 52.41 C ATOM 1145 O GLN A 74 5.728 -2.988 8.051 1.00 31.43 O ATOM 1146 CB GLN A 74 2.528 -3.897 8.517 1.00 55.25 C ATOM 1147 CG GLN A 74 1.441 -4.428 9.475 1.00 13.33 C ATOM 1148 CD GLN A 74 2.008 -5.077 10.734 1.00 33.12 C ATOM 1149 OE1 GLN A 74 2.198 -4.422 11.758 1.00 34.55 O ATOM 1150 NE2 GLN A 74 2.306 -6.363 10.666 1.00 40.41 N ATOM 0 H GLN A 74 1.978 -1.786 9.728 1.00 31.13 H new ATOM 0 HA GLN A 74 4.137 -3.578 9.910 1.00 24.24 H new ATOM 0 HB2 GLN A 74 2.042 -3.341 7.716 1.00 55.25 H new ATOM 0 HB3 GLN A 74 3.029 -4.748 8.056 1.00 55.25 H new ATOM 0 HG2 GLN A 74 0.787 -3.605 9.762 1.00 13.33 H new ATOM 0 HG3 GLN A 74 0.825 -5.155 8.946 1.00 13.33 H new ATOM 0 HE21 GLN A 74 2.137 -6.881 9.803 1.00 40.41 H new ATOM 0 HE22 GLN A 74 2.704 -6.838 11.476 1.00 40.41 H new ATOM 1159 N LEU A 75 4.186 -1.495 7.311 1.00 72.52 N ATOM 1160 CA LEU A 75 5.018 -0.895 6.248 1.00 75.42 C ATOM 1161 C LEU A 75 6.318 -0.288 6.823 1.00 74.04 C ATOM 1162 O LEU A 75 7.370 -0.390 6.193 1.00 45.44 O ATOM 1163 CB LEU A 75 4.180 0.167 5.485 1.00 73.02 C ATOM 1164 CG LEU A 75 2.966 -0.407 4.683 1.00 45.20 C ATOM 1165 CD1 LEU A 75 1.951 0.683 4.320 1.00 20.43 C ATOM 1166 CD2 LEU A 75 3.441 -1.152 3.421 1.00 71.13 C ATOM 0 H LEU A 75 3.259 -1.076 7.386 1.00 72.52 H new ATOM 0 HA LEU A 75 5.322 -1.675 5.550 1.00 75.42 H new ATOM 0 HB2 LEU A 75 3.810 0.900 6.201 1.00 73.02 H new ATOM 0 HB3 LEU A 75 4.835 0.698 4.794 1.00 73.02 H new ATOM 0 HG LEU A 75 2.460 -1.120 5.334 1.00 45.20 H new ATOM 0 HD11 LEU A 75 1.125 0.240 3.764 1.00 20.43 H new ATOM 0 HD12 LEU A 75 1.570 1.143 5.232 1.00 20.43 H new ATOM 0 HD13 LEU A 75 2.436 1.442 3.706 1.00 20.43 H new ATOM 0 HD21 LEU A 75 2.577 -1.541 2.882 1.00 71.13 H new ATOM 0 HD22 LEU A 75 3.991 -0.465 2.778 1.00 71.13 H new ATOM 0 HD23 LEU A 75 4.091 -1.978 3.709 1.00 71.13 H new ATOM 1178 N ASN A 76 6.234 0.316 8.032 1.00 35.43 N ATOM 1179 CA ASN A 76 7.423 0.819 8.765 1.00 33.03 C ATOM 1180 C ASN A 76 8.405 -0.327 9.088 1.00 13.31 C ATOM 1181 O ASN A 76 9.626 -0.151 8.976 1.00 14.34 O ATOM 1182 CB ASN A 76 7.030 1.559 10.075 1.00 2.34 C ATOM 1183 CG ASN A 76 6.383 2.927 9.843 1.00 64.12 C ATOM 1184 OD1 ASN A 76 7.074 3.940 9.702 1.00 12.24 O ATOM 1185 ND2 ASN A 76 5.064 2.983 9.837 1.00 23.44 N ATOM 0 H ASN A 76 5.353 0.468 8.523 1.00 35.43 H new ATOM 0 HA ASN A 76 7.916 1.534 8.106 1.00 33.03 H new ATOM 0 HB2 ASN A 76 6.341 0.933 10.642 1.00 2.34 H new ATOM 0 HB3 ASN A 76 7.921 1.689 10.689 1.00 2.34 H new ATOM 0 HD21 ASN A 76 4.592 3.879 9.714 1.00 23.44 H new ATOM 0 HD22 ASN A 76 4.517 2.130 9.956 1.00 23.44 H new ATOM 1192 N MET A 77 7.866 -1.500 9.489 1.00 34.02 N ATOM 1193 CA MET A 77 8.690 -2.695 9.791 1.00 0.33 C ATOM 1194 C MET A 77 9.306 -3.270 8.499 1.00 22.52 C ATOM 1195 O MET A 77 10.452 -3.725 8.496 1.00 32.02 O ATOM 1196 CB MET A 77 7.856 -3.790 10.506 1.00 13.34 C ATOM 1197 CG MET A 77 7.134 -3.334 11.783 1.00 60.41 C ATOM 1198 SD MET A 77 6.386 -4.709 12.693 1.00 40.04 S ATOM 1199 CE MET A 77 5.526 -5.601 11.393 1.00 35.23 C ATOM 0 H MET A 77 6.864 -1.646 9.611 1.00 34.02 H new ATOM 0 HA MET A 77 9.491 -2.380 10.460 1.00 0.33 H new ATOM 0 HB2 MET A 77 7.114 -4.174 9.806 1.00 13.34 H new ATOM 0 HB3 MET A 77 8.516 -4.620 10.758 1.00 13.34 H new ATOM 0 HG2 MET A 77 7.842 -2.818 12.431 1.00 60.41 H new ATOM 0 HG3 MET A 77 6.359 -2.614 11.520 1.00 60.41 H new ATOM 0 HE1 MET A 77 4.699 -6.165 11.824 1.00 35.23 H new ATOM 0 HE2 MET A 77 5.139 -4.893 10.661 1.00 35.23 H new ATOM 0 HE3 MET A 77 6.217 -6.287 10.904 1.00 35.23 H new ATOM 1209 N TYR A 78 8.543 -3.194 7.392 1.00 71.10 N ATOM 1210 CA TYR A 78 8.972 -3.683 6.066 1.00 4.44 C ATOM 1211 C TYR A 78 9.873 -2.644 5.356 1.00 45.02 C ATOM 1212 O TYR A 78 10.253 -2.841 4.198 1.00 10.22 O ATOM 1213 CB TYR A 78 7.726 -4.045 5.200 1.00 72.41 C ATOM 1214 CG TYR A 78 7.036 -5.369 5.575 1.00 11.31 C ATOM 1215 CD1 TYR A 78 7.610 -6.593 5.231 1.00 55.41 C ATOM 1216 CD2 TYR A 78 5.817 -5.410 6.264 1.00 43.34 C ATOM 1217 CE1 TYR A 78 7.007 -7.791 5.558 1.00 74.14 C ATOM 1218 CE2 TYR A 78 5.210 -6.607 6.594 1.00 22.22 C ATOM 1219 CZ TYR A 78 5.807 -7.794 6.240 1.00 32.50 C ATOM 1220 OH TYR A 78 5.205 -8.993 6.578 1.00 64.12 O ATOM 0 H TYR A 78 7.607 -2.790 7.392 1.00 71.10 H new ATOM 0 HA TYR A 78 9.567 -4.586 6.202 1.00 4.44 H new ATOM 0 HB2 TYR A 78 6.998 -3.238 5.282 1.00 72.41 H new ATOM 0 HB3 TYR A 78 8.031 -4.095 4.155 1.00 72.41 H new ATOM 0 HD1 TYR A 78 8.548 -6.604 4.696 1.00 55.41 H new ATOM 0 HD2 TYR A 78 5.339 -4.483 6.544 1.00 43.34 H new ATOM 0 HE1 TYR A 78 7.474 -8.725 5.281 1.00 74.14 H new ATOM 0 HE2 TYR A 78 4.271 -6.610 7.128 1.00 22.22 H new ATOM 0 HH TYR A 78 4.368 -8.816 7.056 1.00 64.12 H new ATOM 1230 N GLY A 79 10.199 -1.537 6.058 1.00 74.22 N ATOM 1231 CA GLY A 79 11.200 -0.574 5.606 1.00 33.14 C ATOM 1232 C GLY A 79 10.765 0.283 4.425 1.00 53.34 C ATOM 1233 O GLY A 79 11.621 0.775 3.684 1.00 1.12 O ATOM 0 H GLY A 79 9.770 -1.295 6.951 1.00 74.22 H new ATOM 0 HA2 GLY A 79 11.457 0.081 6.438 1.00 33.14 H new ATOM 0 HA3 GLY A 79 12.107 -1.113 5.333 1.00 33.14 H new ATOM 1237 N PHE A 80 9.442 0.467 4.250 1.00 22.05 N ATOM 1238 CA PHE A 80 8.892 1.379 3.226 1.00 52.45 C ATOM 1239 C PHE A 80 9.114 2.841 3.656 1.00 10.44 C ATOM 1240 O PHE A 80 9.111 3.154 4.852 1.00 23.23 O ATOM 1241 CB PHE A 80 7.372 1.122 2.988 1.00 32.31 C ATOM 1242 CG PHE A 80 7.058 -0.120 2.151 1.00 43.02 C ATOM 1243 CD1 PHE A 80 7.081 -1.395 2.717 1.00 23.34 C ATOM 1244 CD2 PHE A 80 6.734 -0.009 0.794 1.00 52.22 C ATOM 1245 CE1 PHE A 80 6.791 -2.515 1.956 1.00 2.45 C ATOM 1246 CE2 PHE A 80 6.447 -1.130 0.038 1.00 71.41 C ATOM 1247 CZ PHE A 80 6.475 -2.382 0.619 1.00 72.34 C ATOM 0 H PHE A 80 8.731 -0.006 4.807 1.00 22.05 H new ATOM 0 HA PHE A 80 9.415 1.188 2.289 1.00 52.45 H new ATOM 0 HB2 PHE A 80 6.878 1.027 3.955 1.00 32.31 H new ATOM 0 HB3 PHE A 80 6.943 1.994 2.495 1.00 32.31 H new ATOM 0 HD1 PHE A 80 7.328 -1.510 3.762 1.00 23.34 H new ATOM 0 HD2 PHE A 80 6.708 0.966 0.331 1.00 52.22 H new ATOM 0 HE1 PHE A 80 6.812 -3.495 2.410 1.00 2.45 H new ATOM 0 HE2 PHE A 80 6.201 -1.026 -1.008 1.00 71.41 H new ATOM 0 HZ PHE A 80 6.250 -3.257 0.028 1.00 72.34 H new ATOM 1257 N ARG A 81 9.286 3.723 2.666 1.00 44.42 N ATOM 1258 CA ARG A 81 9.462 5.155 2.895 1.00 54.24 C ATOM 1259 C ARG A 81 8.119 5.859 2.646 1.00 13.43 C ATOM 1260 O ARG A 81 7.556 5.758 1.554 1.00 62.40 O ATOM 1261 CB ARG A 81 10.553 5.714 1.928 1.00 52.32 C ATOM 1262 CG ARG A 81 10.853 7.233 2.075 1.00 55.24 C ATOM 1263 CD ARG A 81 11.810 7.581 3.236 1.00 20.13 C ATOM 1264 NE ARG A 81 11.379 7.057 4.555 1.00 0.11 N ATOM 1265 CZ ARG A 81 12.126 6.274 5.360 1.00 24.41 C ATOM 1266 NH1 ARG A 81 13.365 5.916 5.019 1.00 35.44 N ATOM 1267 NH2 ARG A 81 11.621 5.853 6.515 1.00 31.14 N ATOM 0 H ARG A 81 9.307 3.460 1.681 1.00 44.42 H new ATOM 0 HA ARG A 81 9.785 5.334 3.920 1.00 54.24 H new ATOM 0 HB2 ARG A 81 11.478 5.160 2.090 1.00 52.32 H new ATOM 0 HB3 ARG A 81 10.241 5.519 0.902 1.00 52.32 H new ATOM 0 HG2 ARG A 81 11.283 7.599 1.143 1.00 55.24 H new ATOM 0 HG3 ARG A 81 9.913 7.765 2.222 1.00 55.24 H new ATOM 0 HD2 ARG A 81 12.800 7.187 3.007 1.00 20.13 H new ATOM 0 HD3 ARG A 81 11.905 8.665 3.301 1.00 20.13 H new ATOM 0 HE ARG A 81 10.445 7.308 4.878 1.00 0.11 H new ATOM 0 HH11 ARG A 81 13.763 6.235 4.136 1.00 35.44 H new ATOM 0 HH12 ARG A 81 13.914 5.323 5.641 1.00 35.44 H new ATOM 0 HH21 ARG A 81 10.675 6.122 6.787 1.00 31.14 H new ATOM 0 HH22 ARG A 81 12.179 5.261 7.130 1.00 31.14 H new ATOM 1281 N LYS A 82 7.610 6.549 3.679 1.00 32.21 N ATOM 1282 CA LYS A 82 6.378 7.345 3.599 1.00 61.11 C ATOM 1283 C LYS A 82 6.742 8.713 3.002 1.00 51.11 C ATOM 1284 O LYS A 82 7.661 9.382 3.488 1.00 60.21 O ATOM 1285 CB LYS A 82 5.766 7.465 5.034 1.00 61.13 C ATOM 1286 CG LYS A 82 4.312 8.005 5.152 1.00 13.23 C ATOM 1287 CD LYS A 82 4.178 9.531 4.930 1.00 52.44 C ATOM 1288 CE LYS A 82 2.782 10.061 5.299 1.00 10.24 C ATOM 1289 NZ LYS A 82 2.476 9.882 6.746 1.00 20.13 N ATOM 0 H LYS A 82 8.047 6.569 4.600 1.00 32.21 H new ATOM 0 HA LYS A 82 5.628 6.879 2.960 1.00 61.11 H new ATOM 0 HB2 LYS A 82 5.797 6.478 5.496 1.00 61.13 H new ATOM 0 HB3 LYS A 82 6.414 8.114 5.623 1.00 61.13 H new ATOM 0 HG2 LYS A 82 3.685 7.488 4.426 1.00 13.23 H new ATOM 0 HG3 LYS A 82 3.925 7.758 6.141 1.00 13.23 H new ATOM 0 HD2 LYS A 82 4.929 10.049 5.527 1.00 52.44 H new ATOM 0 HD3 LYS A 82 4.386 9.762 3.885 1.00 52.44 H new ATOM 0 HE2 LYS A 82 2.718 11.119 5.044 1.00 10.24 H new ATOM 0 HE3 LYS A 82 2.030 9.543 4.704 1.00 10.24 H new ATOM 0 HZ1 LYS A 82 1.655 10.467 7.002 1.00 20.13 H new ATOM 0 HZ2 LYS A 82 2.260 8.882 6.934 1.00 20.13 H new ATOM 0 HZ3 LYS A 82 3.298 10.171 7.313 1.00 20.13 H new ATOM 1303 N VAL A 83 6.041 9.102 1.930 1.00 54.42 N ATOM 1304 CA VAL A 83 6.209 10.401 1.263 1.00 55.24 C ATOM 1305 C VAL A 83 4.817 11.034 1.116 1.00 14.52 C ATOM 1306 O VAL A 83 3.986 10.544 0.347 1.00 73.11 O ATOM 1307 CB VAL A 83 6.878 10.248 -0.162 1.00 30.42 C ATOM 1308 CG1 VAL A 83 7.024 11.618 -0.866 1.00 21.32 C ATOM 1309 CG2 VAL A 83 8.242 9.521 -0.081 1.00 43.32 C ATOM 0 H VAL A 83 5.330 8.515 1.494 1.00 54.42 H new ATOM 0 HA VAL A 83 6.869 11.029 1.862 1.00 55.24 H new ATOM 0 HB VAL A 83 6.211 9.630 -0.763 1.00 30.42 H new ATOM 0 HG11 VAL A 83 7.487 11.478 -1.843 1.00 21.32 H new ATOM 0 HG12 VAL A 83 6.040 12.069 -0.993 1.00 21.32 H new ATOM 0 HG13 VAL A 83 7.648 12.274 -0.259 1.00 21.32 H new ATOM 0 HG21 VAL A 83 8.669 9.436 -1.080 1.00 43.32 H new ATOM 0 HG22 VAL A 83 8.920 10.089 0.556 1.00 43.32 H new ATOM 0 HG23 VAL A 83 8.099 8.525 0.339 1.00 43.32 H new ATOM 1319 N VAL A 84 4.557 12.125 1.857 1.00 11.00 N ATOM 1320 CA VAL A 84 3.244 12.791 1.847 1.00 34.21 C ATOM 1321 C VAL A 84 3.315 14.009 0.908 1.00 12.15 C ATOM 1322 O VAL A 84 4.220 14.849 1.022 1.00 74.55 O ATOM 1323 CB VAL A 84 2.769 13.196 3.294 1.00 22.12 C ATOM 1324 CG1 VAL A 84 3.723 14.188 3.992 1.00 73.52 C ATOM 1325 CG2 VAL A 84 1.310 13.715 3.284 1.00 41.01 C ATOM 0 H VAL A 84 5.242 12.565 2.472 1.00 11.00 H new ATOM 0 HA VAL A 84 2.496 12.090 1.477 1.00 34.21 H new ATOM 0 HB VAL A 84 2.797 12.285 3.891 1.00 22.12 H new ATOM 0 HG11 VAL A 84 3.338 14.426 4.984 1.00 73.52 H new ATOM 0 HG12 VAL A 84 4.712 13.738 4.084 1.00 73.52 H new ATOM 0 HG13 VAL A 84 3.794 15.101 3.402 1.00 73.52 H new ATOM 0 HG21 VAL A 84 1.013 13.986 4.297 1.00 41.01 H new ATOM 0 HG22 VAL A 84 1.240 14.591 2.639 1.00 41.01 H new ATOM 0 HG23 VAL A 84 0.649 12.934 2.909 1.00 41.01 H new ATOM 1335 N HIS A 85 2.394 14.069 -0.059 1.00 55.21 N ATOM 1336 CA HIS A 85 2.371 15.139 -1.079 1.00 5.31 C ATOM 1337 C HIS A 85 1.374 16.237 -0.692 1.00 72.50 C ATOM 1338 O HIS A 85 1.521 17.396 -1.101 1.00 4.35 O ATOM 1339 CB HIS A 85 2.062 14.545 -2.474 1.00 60.54 C ATOM 1340 CG HIS A 85 3.133 13.592 -2.978 1.00 72.43 C ATOM 1341 ND1 HIS A 85 3.890 13.835 -4.105 1.00 35.34 N ATOM 1342 CD2 HIS A 85 3.576 12.397 -2.499 1.00 1.11 C ATOM 1343 CE1 HIS A 85 4.735 12.844 -4.291 1.00 3.12 C ATOM 1344 NE2 HIS A 85 4.565 11.966 -3.334 1.00 35.11 N ATOM 0 H HIS A 85 1.645 13.385 -0.162 1.00 55.21 H new ATOM 0 HA HIS A 85 3.357 15.601 -1.127 1.00 5.31 H new ATOM 0 HB2 HIS A 85 1.109 14.018 -2.433 1.00 60.54 H new ATOM 0 HB3 HIS A 85 1.946 15.359 -3.189 1.00 60.54 H new ATOM 0 HD2 HIS A 85 3.212 11.885 -1.621 1.00 1.11 H new ATOM 0 HE1 HIS A 85 5.449 12.767 -5.098 1.00 3.12 H new ATOM 0 HE2 HIS A 85 5.089 11.097 -3.230 1.00 35.11 H new ATOM 1353 N ILE A 86 0.361 15.864 0.106 1.00 31.11 N ATOM 1354 CA ILE A 86 -0.609 16.811 0.671 1.00 0.41 C ATOM 1355 C ILE A 86 -0.136 17.233 2.073 1.00 51.33 C ATOM 1356 O ILE A 86 -0.298 16.499 3.057 1.00 73.41 O ATOM 1357 CB ILE A 86 -2.047 16.191 0.716 1.00 50.45 C ATOM 1358 CG1 ILE A 86 -2.549 15.857 -0.724 1.00 62.32 C ATOM 1359 CG2 ILE A 86 -3.051 17.107 1.454 1.00 73.31 C ATOM 1360 CD1 ILE A 86 -2.587 17.022 -1.694 1.00 12.23 C ATOM 0 H ILE A 86 0.193 14.895 0.377 1.00 31.11 H new ATOM 0 HA ILE A 86 -0.666 17.692 0.032 1.00 0.41 H new ATOM 0 HB ILE A 86 -1.984 15.263 1.284 1.00 50.45 H new ATOM 0 HG12 ILE A 86 -1.907 15.081 -1.142 1.00 62.32 H new ATOM 0 HG13 ILE A 86 -3.552 15.436 -0.651 1.00 62.32 H new ATOM 0 HG21 ILE A 86 -4.035 16.637 1.461 1.00 73.31 H new ATOM 0 HG22 ILE A 86 -2.716 17.262 2.479 1.00 73.31 H new ATOM 0 HG23 ILE A 86 -3.111 18.068 0.942 1.00 73.31 H new ATOM 0 HD11 ILE A 86 -2.950 16.678 -2.662 1.00 12.23 H new ATOM 0 HD12 ILE A 86 -3.254 17.794 -1.310 1.00 12.23 H new ATOM 0 HD13 ILE A 86 -1.584 17.433 -1.808 1.00 12.23 H new ATOM 1372 N GLU A 87 0.504 18.407 2.123 1.00 53.23 N ATOM 1373 CA GLU A 87 1.069 18.977 3.356 1.00 43.33 C ATOM 1374 C GLU A 87 -0.041 19.636 4.209 1.00 63.42 C ATOM 1375 O GLU A 87 -0.856 20.402 3.677 1.00 24.41 O ATOM 1376 CB GLU A 87 2.167 20.008 2.988 1.00 24.41 C ATOM 1377 CG GLU A 87 3.314 19.431 2.126 1.00 10.20 C ATOM 1378 CD GLU A 87 4.395 20.468 1.764 1.00 5.51 C ATOM 1379 OE1 GLU A 87 5.253 20.773 2.611 1.00 40.14 O ATOM 1380 OE2 GLU A 87 4.396 20.977 0.632 1.00 62.30 O ATOM 0 H GLU A 87 0.647 18.995 1.302 1.00 53.23 H new ATOM 0 HA GLU A 87 1.515 18.179 3.950 1.00 43.33 H new ATOM 0 HB2 GLU A 87 1.706 20.837 2.451 1.00 24.41 H new ATOM 0 HB3 GLU A 87 2.588 20.417 3.906 1.00 24.41 H new ATOM 0 HG2 GLU A 87 3.780 18.605 2.663 1.00 10.20 H new ATOM 0 HG3 GLU A 87 2.895 19.019 1.208 1.00 10.20 H new ATOM 1387 N GLN A 88 -0.056 19.316 5.526 1.00 63.14 N ATOM 1388 CA GLN A 88 -1.047 19.849 6.488 1.00 74.25 C ATOM 1389 C GLN A 88 -0.896 21.369 6.643 1.00 21.21 C ATOM 1390 O GLN A 88 -0.035 21.860 7.390 1.00 10.34 O ATOM 1391 CB GLN A 88 -0.904 19.144 7.871 1.00 2.12 C ATOM 1392 CG GLN A 88 -1.240 17.637 7.847 1.00 51.44 C ATOM 1393 CD GLN A 88 -0.997 16.918 9.183 1.00 61.24 C ATOM 1394 OE1 GLN A 88 -0.107 17.274 9.952 1.00 52.41 O ATOM 1395 NE2 GLN A 88 -1.782 15.886 9.465 1.00 74.20 N ATOM 0 H GLN A 88 0.620 18.680 5.950 1.00 63.14 H new ATOM 0 HA GLN A 88 -2.043 19.643 6.096 1.00 74.25 H new ATOM 0 HB2 GLN A 88 0.118 19.272 8.228 1.00 2.12 H new ATOM 0 HB3 GLN A 88 -1.557 19.640 8.589 1.00 2.12 H new ATOM 0 HG2 GLN A 88 -2.286 17.513 7.565 1.00 51.44 H new ATOM 0 HG3 GLN A 88 -0.642 17.155 7.073 1.00 51.44 H new ATOM 0 HE21 GLN A 88 -2.514 15.609 8.811 1.00 74.20 H new ATOM 0 HE22 GLN A 88 -1.653 15.370 10.335 1.00 74.20 H new ATOM 1404 N GLY A 89 -1.728 22.098 5.899 1.00 44.45 N ATOM 1405 CA GLY A 89 -1.712 23.551 5.917 1.00 52.40 C ATOM 1406 C GLY A 89 -2.806 24.158 5.068 1.00 65.31 C ATOM 1407 O GLY A 89 -3.535 23.450 4.361 1.00 51.41 O ATOM 0 H GLY A 89 -2.426 21.696 5.273 1.00 44.45 H new ATOM 0 HA2 GLY A 89 -1.820 23.899 6.944 1.00 52.40 H new ATOM 0 HA3 GLY A 89 -0.744 23.904 5.561 1.00 52.40 H new ATOM 1411 N GLY A 90 -2.904 25.489 5.153 1.00 71.11 N ATOM 1412 CA GLY A 90 -3.836 26.273 4.340 1.00 2.10 C ATOM 1413 C GLY A 90 -3.267 26.576 2.957 1.00 32.11 C ATOM 1414 O GLY A 90 -3.059 27.745 2.596 1.00 42.43 O ATOM 0 H GLY A 90 -2.338 26.052 5.788 1.00 71.11 H new ATOM 0 HA2 GLY A 90 -4.774 25.728 4.235 1.00 2.10 H new ATOM 0 HA3 GLY A 90 -4.066 27.208 4.851 1.00 2.10 H new ATOM 1418 N LEU A 91 -2.998 25.502 2.203 1.00 31.34 N ATOM 1419 CA LEU A 91 -2.337 25.553 0.884 1.00 33.20 C ATOM 1420 C LEU A 91 -3.361 25.286 -0.232 1.00 41.23 C ATOM 1421 O LEU A 91 -4.529 24.988 0.052 1.00 11.04 O ATOM 1422 CB LEU A 91 -1.202 24.484 0.853 1.00 14.25 C ATOM 1423 CG LEU A 91 -0.124 24.581 1.980 1.00 61.44 C ATOM 1424 CD1 LEU A 91 0.897 23.434 1.880 1.00 20.04 C ATOM 1425 CD2 LEU A 91 0.578 25.952 1.977 1.00 71.50 C ATOM 0 H LEU A 91 -3.236 24.554 2.494 1.00 31.34 H new ATOM 0 HA LEU A 91 -1.910 26.542 0.720 1.00 33.20 H new ATOM 0 HB2 LEU A 91 -1.661 23.497 0.904 1.00 14.25 H new ATOM 0 HB3 LEU A 91 -0.696 24.551 -0.110 1.00 14.25 H new ATOM 0 HG LEU A 91 -0.643 24.481 2.933 1.00 61.44 H new ATOM 0 HD11 LEU A 91 1.633 23.531 2.678 1.00 20.04 H new ATOM 0 HD12 LEU A 91 0.381 22.478 1.976 1.00 20.04 H new ATOM 0 HD13 LEU A 91 1.401 23.479 0.915 1.00 20.04 H new ATOM 0 HD21 LEU A 91 1.321 25.982 2.774 1.00 71.50 H new ATOM 0 HD22 LEU A 91 1.070 26.107 1.017 1.00 71.50 H new ATOM 0 HD23 LEU A 91 -0.159 26.739 2.138 1.00 71.50 H new ATOM 1437 N VAL A 92 -2.910 25.368 -1.507 1.00 25.31 N ATOM 1438 CA VAL A 92 -3.745 25.011 -2.684 1.00 52.21 C ATOM 1439 C VAL A 92 -3.845 23.457 -2.834 1.00 51.04 C ATOM 1440 O VAL A 92 -4.526 22.937 -3.728 1.00 10.25 O ATOM 1441 CB VAL A 92 -3.187 25.694 -4.003 1.00 32.11 C ATOM 1442 CG1 VAL A 92 -1.872 25.046 -4.487 1.00 75.33 C ATOM 1443 CG2 VAL A 92 -4.246 25.742 -5.135 1.00 24.22 C ATOM 0 H VAL A 92 -1.969 25.679 -1.749 1.00 25.31 H new ATOM 0 HA VAL A 92 -4.753 25.394 -2.523 1.00 52.21 H new ATOM 0 HB VAL A 92 -2.957 26.725 -3.736 1.00 32.11 H new ATOM 0 HG11 VAL A 92 -1.531 25.548 -5.392 1.00 75.33 H new ATOM 0 HG12 VAL A 92 -1.113 25.141 -3.711 1.00 75.33 H new ATOM 0 HG13 VAL A 92 -2.043 23.991 -4.700 1.00 75.33 H new ATOM 0 HG21 VAL A 92 -3.816 26.218 -6.016 1.00 24.22 H new ATOM 0 HG22 VAL A 92 -4.556 24.728 -5.386 1.00 24.22 H new ATOM 0 HG23 VAL A 92 -5.111 26.314 -4.800 1.00 24.22 H new ATOM 1453 N LYS A 93 -3.128 22.728 -1.945 1.00 51.12 N ATOM 1454 CA LYS A 93 -3.258 21.268 -1.792 1.00 63.42 C ATOM 1455 C LYS A 93 -4.647 20.913 -1.198 1.00 60.11 C ATOM 1456 O LYS A 93 -5.025 21.481 -0.169 1.00 42.44 O ATOM 1457 CB LYS A 93 -2.143 20.706 -0.856 1.00 2.05 C ATOM 1458 CG LYS A 93 -0.700 20.815 -1.398 1.00 41.43 C ATOM 1459 CD LYS A 93 -0.506 20.035 -2.714 1.00 71.12 C ATOM 1460 CE LYS A 93 0.936 20.100 -3.247 1.00 14.25 C ATOM 1461 NZ LYS A 93 1.388 21.493 -3.528 1.00 63.32 N ATOM 0 H LYS A 93 -2.442 23.143 -1.314 1.00 51.12 H new ATOM 0 HA LYS A 93 -3.154 20.817 -2.779 1.00 63.42 H new ATOM 0 HB2 LYS A 93 -2.195 21.232 0.097 1.00 2.05 H new ATOM 0 HB3 LYS A 93 -2.358 19.657 -0.654 1.00 2.05 H new ATOM 0 HG2 LYS A 93 -0.454 21.864 -1.561 1.00 41.43 H new ATOM 0 HG3 LYS A 93 -0.004 20.437 -0.649 1.00 41.43 H new ATOM 0 HD2 LYS A 93 -0.782 18.992 -2.556 1.00 71.12 H new ATOM 0 HD3 LYS A 93 -1.184 20.433 -3.469 1.00 71.12 H new ATOM 0 HE2 LYS A 93 1.608 19.645 -2.519 1.00 14.25 H new ATOM 0 HE3 LYS A 93 1.008 19.509 -4.160 1.00 14.25 H new ATOM 0 HZ1 LYS A 93 2.332 21.470 -3.963 1.00 63.32 H new ATOM 0 HZ2 LYS A 93 0.718 21.951 -4.178 1.00 63.32 H new ATOM 0 HZ3 LYS A 93 1.429 22.031 -2.639 1.00 63.32 H new ATOM 1475 N PRO A 94 -5.430 19.984 -1.840 1.00 52.14 N ATOM 1476 CA PRO A 94 -6.705 19.493 -1.270 1.00 52.22 C ATOM 1477 C PRO A 94 -6.434 18.502 -0.115 1.00 20.42 C ATOM 1478 O PRO A 94 -5.592 17.610 -0.240 1.00 43.11 O ATOM 1479 CB PRO A 94 -7.393 18.831 -2.492 1.00 55.33 C ATOM 1480 CG PRO A 94 -6.256 18.321 -3.320 1.00 4.42 C ATOM 1481 CD PRO A 94 -5.141 19.346 -3.154 1.00 10.12 C ATOM 0 HA PRO A 94 -7.328 20.267 -0.822 1.00 52.22 H new ATOM 0 HB2 PRO A 94 -8.057 18.023 -2.186 1.00 55.33 H new ATOM 0 HB3 PRO A 94 -7.999 19.549 -3.046 1.00 55.33 H new ATOM 0 HG2 PRO A 94 -5.936 17.335 -2.983 1.00 4.42 H new ATOM 0 HG3 PRO A 94 -6.546 18.222 -4.366 1.00 4.42 H new ATOM 0 HD2 PRO A 94 -4.159 18.872 -3.160 1.00 10.12 H new ATOM 0 HD3 PRO A 94 -5.147 20.077 -3.963 1.00 10.12 H new ATOM 1489 N GLU A 95 -7.195 18.645 0.981 1.00 63.20 N ATOM 1490 CA GLU A 95 -6.865 18.046 2.303 1.00 74.52 C ATOM 1491 C GLU A 95 -7.040 16.505 2.367 1.00 75.30 C ATOM 1492 O GLU A 95 -6.904 15.906 3.446 1.00 71.42 O ATOM 1493 CB GLU A 95 -7.677 18.760 3.423 1.00 23.54 C ATOM 1494 CG GLU A 95 -9.211 18.730 3.241 1.00 2.35 C ATOM 1495 CD GLU A 95 -9.970 19.567 4.289 1.00 3.42 C ATOM 1496 OE1 GLU A 95 -9.988 20.814 4.170 1.00 62.54 O ATOM 1497 OE2 GLU A 95 -10.560 18.993 5.229 1.00 11.32 O ATOM 0 H GLU A 95 -8.063 19.180 0.985 1.00 63.20 H new ATOM 0 HA GLU A 95 -5.799 18.210 2.462 1.00 74.52 H new ATOM 0 HB2 GLU A 95 -7.431 18.298 4.379 1.00 23.54 H new ATOM 0 HB3 GLU A 95 -7.354 19.799 3.478 1.00 23.54 H new ATOM 0 HG2 GLU A 95 -9.458 19.098 2.245 1.00 2.35 H new ATOM 0 HG3 GLU A 95 -9.555 17.697 3.294 1.00 2.35 H new ATOM 1504 N ARG A 96 -7.327 15.873 1.214 1.00 61.32 N ATOM 1505 CA ARG A 96 -7.273 14.410 1.069 1.00 42.45 C ATOM 1506 C ARG A 96 -5.804 13.931 1.194 1.00 60.44 C ATOM 1507 O ARG A 96 -5.019 14.062 0.258 1.00 42.11 O ATOM 1508 CB ARG A 96 -7.917 13.963 -0.285 1.00 4.44 C ATOM 1509 CG ARG A 96 -7.302 14.586 -1.557 1.00 4.30 C ATOM 1510 CD ARG A 96 -7.875 14.005 -2.864 1.00 1.05 C ATOM 1511 NE ARG A 96 -7.108 14.452 -4.041 1.00 34.42 N ATOM 1512 CZ ARG A 96 -7.419 14.189 -5.324 1.00 24.11 C ATOM 1513 NH1 ARG A 96 -8.507 13.486 -5.643 1.00 5.21 N ATOM 1514 NH2 ARG A 96 -6.606 14.621 -6.287 1.00 31.44 N ATOM 0 H ARG A 96 -7.601 16.361 0.361 1.00 61.32 H new ATOM 0 HA ARG A 96 -7.853 13.946 1.866 1.00 42.45 H new ATOM 0 HB2 ARG A 96 -7.842 12.878 -0.361 1.00 4.44 H new ATOM 0 HB3 ARG A 96 -8.979 14.208 -0.260 1.00 4.44 H new ATOM 0 HG2 ARG A 96 -7.470 15.663 -1.543 1.00 4.30 H new ATOM 0 HG3 ARG A 96 -6.223 14.432 -1.542 1.00 4.30 H new ATOM 0 HD2 ARG A 96 -7.864 12.916 -2.814 1.00 1.05 H new ATOM 0 HD3 ARG A 96 -8.916 14.308 -2.971 1.00 1.05 H new ATOM 0 HE ARG A 96 -6.270 15.008 -3.868 1.00 34.42 H new ATOM 0 HH11 ARG A 96 -9.122 13.136 -4.908 1.00 5.21 H new ATOM 0 HH12 ARG A 96 -8.724 13.298 -6.622 1.00 5.21 H new ATOM 0 HH21 ARG A 96 -5.763 15.142 -6.047 1.00 31.44 H new ATOM 0 HH22 ARG A 96 -6.827 14.430 -7.264 1.00 31.44 H new ATOM 1528 N ASP A 97 -5.428 13.492 2.415 1.00 2.41 N ATOM 1529 CA ASP A 97 -4.098 12.894 2.712 1.00 40.23 C ATOM 1530 C ASP A 97 -3.601 11.957 1.593 1.00 2.31 C ATOM 1531 O ASP A 97 -4.125 10.850 1.420 1.00 72.35 O ATOM 1532 CB ASP A 97 -4.125 12.112 4.056 1.00 35.23 C ATOM 1533 CG ASP A 97 -4.269 13.005 5.294 1.00 34.23 C ATOM 1534 OD1 ASP A 97 -5.357 13.575 5.506 1.00 62.23 O ATOM 1535 OD2 ASP A 97 -3.306 13.126 6.083 1.00 32.42 O ATOM 0 H ASP A 97 -6.039 13.541 3.230 1.00 2.41 H new ATOM 0 HA ASP A 97 -3.403 13.731 2.784 1.00 40.23 H new ATOM 0 HB2 ASP A 97 -4.952 11.402 4.035 1.00 35.23 H new ATOM 0 HB3 ASP A 97 -3.207 11.531 4.145 1.00 35.23 H new ATOM 1540 N ASP A 98 -2.596 12.433 0.838 1.00 54.20 N ATOM 1541 CA ASP A 98 -1.918 11.647 -0.199 1.00 12.24 C ATOM 1542 C ASP A 98 -0.641 11.075 0.412 1.00 4.11 C ATOM 1543 O ASP A 98 0.274 11.826 0.761 1.00 2.41 O ATOM 1544 CB ASP A 98 -1.584 12.492 -1.456 1.00 45.54 C ATOM 1545 CG ASP A 98 -0.800 11.693 -2.517 1.00 43.04 C ATOM 1546 OD1 ASP A 98 0.447 11.667 -2.474 1.00 44.23 O ATOM 1547 OD2 ASP A 98 -1.427 11.082 -3.406 1.00 10.31 O ATOM 0 H ASP A 98 -2.231 13.381 0.933 1.00 54.20 H new ATOM 0 HA ASP A 98 -2.583 10.851 -0.533 1.00 12.24 H new ATOM 0 HB2 ASP A 98 -2.510 12.863 -1.896 1.00 45.54 H new ATOM 0 HB3 ASP A 98 -1.001 13.364 -1.159 1.00 45.54 H new ATOM 1552 N THR A 99 -0.604 9.755 0.550 1.00 1.41 N ATOM 1553 CA THR A 99 0.491 9.037 1.177 1.00 44.13 C ATOM 1554 C THR A 99 1.065 8.014 0.188 1.00 41.40 C ATOM 1555 O THR A 99 0.405 7.038 -0.170 1.00 33.13 O ATOM 1556 CB THR A 99 -0.015 8.347 2.478 1.00 23.42 C ATOM 1557 OG1 THR A 99 -0.537 9.348 3.365 1.00 22.20 O ATOM 1558 CG2 THR A 99 1.089 7.565 3.191 1.00 61.03 C ATOM 0 H THR A 99 -1.352 9.144 0.221 1.00 1.41 H new ATOM 0 HA THR A 99 1.286 9.731 1.449 1.00 44.13 H new ATOM 0 HB THR A 99 -0.790 7.634 2.196 1.00 23.42 H new ATOM 0 HG1 THR A 99 -1.125 8.925 4.025 1.00 22.20 H new ATOM 0 HG21 THR A 99 0.684 7.103 4.092 1.00 61.03 H new ATOM 0 HG22 THR A 99 1.473 6.790 2.527 1.00 61.03 H new ATOM 0 HG23 THR A 99 1.898 8.243 3.463 1.00 61.03 H new ATOM 1566 N GLU A 100 2.302 8.261 -0.253 1.00 54.23 N ATOM 1567 CA GLU A 100 3.007 7.419 -1.221 1.00 51.41 C ATOM 1568 C GLU A 100 4.068 6.599 -0.483 1.00 3.34 C ATOM 1569 O GLU A 100 5.011 7.162 0.083 1.00 15.51 O ATOM 1570 CB GLU A 100 3.642 8.287 -2.341 1.00 70.43 C ATOM 1571 CG GLU A 100 4.513 7.493 -3.352 1.00 25.41 C ATOM 1572 CD GLU A 100 5.110 8.363 -4.461 1.00 42.11 C ATOM 1573 OE1 GLU A 100 5.755 9.382 -4.137 1.00 74.34 O ATOM 1574 OE2 GLU A 100 4.944 8.042 -5.660 1.00 41.31 O ATOM 0 H GLU A 100 2.849 9.064 0.058 1.00 54.23 H new ATOM 0 HA GLU A 100 2.302 6.739 -1.700 1.00 51.41 H new ATOM 0 HB2 GLU A 100 2.846 8.794 -2.886 1.00 70.43 H new ATOM 0 HB3 GLU A 100 4.256 9.061 -1.880 1.00 70.43 H new ATOM 0 HG2 GLU A 100 5.322 7.000 -2.813 1.00 25.41 H new ATOM 0 HG3 GLU A 100 3.906 6.708 -3.804 1.00 25.41 H new ATOM 1581 N PHE A 101 3.886 5.272 -0.456 1.00 34.14 N ATOM 1582 CA PHE A 101 4.877 4.354 0.108 1.00 71.03 C ATOM 1583 C PHE A 101 5.742 3.826 -1.041 1.00 21.04 C ATOM 1584 O PHE A 101 5.227 3.244 -2.008 1.00 4.22 O ATOM 1585 CB PHE A 101 4.201 3.184 0.863 1.00 71.40 C ATOM 1586 CG PHE A 101 3.328 3.598 2.049 1.00 74.21 C ATOM 1587 CD1 PHE A 101 3.904 3.928 3.279 1.00 40.31 C ATOM 1588 CD2 PHE A 101 1.931 3.642 1.941 1.00 61.13 C ATOM 1589 CE1 PHE A 101 3.115 4.284 4.360 1.00 42.33 C ATOM 1590 CE2 PHE A 101 1.146 4.001 3.022 1.00 61.32 C ATOM 1591 CZ PHE A 101 1.739 4.320 4.232 1.00 5.22 C ATOM 0 H PHE A 101 3.054 4.810 -0.822 1.00 34.14 H new ATOM 0 HA PHE A 101 5.493 4.885 0.834 1.00 71.03 H new ATOM 0 HB2 PHE A 101 3.588 2.623 0.158 1.00 71.40 H new ATOM 0 HB3 PHE A 101 4.976 2.506 1.221 1.00 71.40 H new ATOM 0 HD1 PHE A 101 4.978 3.905 3.388 1.00 40.31 H new ATOM 0 HD2 PHE A 101 1.461 3.392 1.001 1.00 61.13 H new ATOM 0 HE1 PHE A 101 3.575 4.534 5.304 1.00 42.33 H new ATOM 0 HE2 PHE A 101 0.071 4.032 2.922 1.00 61.32 H new ATOM 0 HZ PHE A 101 1.126 4.597 5.077 1.00 5.22 H new ATOM 1601 N GLN A 102 7.048 4.066 -0.938 1.00 70.23 N ATOM 1602 CA GLN A 102 8.022 3.708 -1.975 1.00 4.13 C ATOM 1603 C GLN A 102 9.139 2.854 -1.362 1.00 50.14 C ATOM 1604 O GLN A 102 9.532 3.061 -0.207 1.00 34.14 O ATOM 1605 CB GLN A 102 8.597 4.983 -2.653 1.00 10.43 C ATOM 1606 CG GLN A 102 9.279 5.987 -1.702 1.00 4.42 C ATOM 1607 CD GLN A 102 9.958 7.152 -2.427 1.00 20.42 C ATOM 1608 OE1 GLN A 102 9.525 7.580 -3.501 1.00 55.34 O ATOM 1609 NE2 GLN A 102 11.027 7.679 -1.848 1.00 22.44 N ATOM 0 H GLN A 102 7.467 4.519 -0.126 1.00 70.23 H new ATOM 0 HA GLN A 102 7.522 3.123 -2.747 1.00 4.13 H new ATOM 0 HB2 GLN A 102 9.319 4.677 -3.410 1.00 10.43 H new ATOM 0 HB3 GLN A 102 7.787 5.494 -3.173 1.00 10.43 H new ATOM 0 HG2 GLN A 102 8.535 6.384 -1.011 1.00 4.42 H new ATOM 0 HG3 GLN A 102 10.022 5.460 -1.103 1.00 4.42 H new ATOM 0 HE21 GLN A 102 11.363 7.305 -0.960 1.00 22.44 H new ATOM 0 HE22 GLN A 102 11.514 8.459 -2.290 1.00 22.44 H new ATOM 1618 N HIS A 103 9.622 1.883 -2.140 1.00 53.02 N ATOM 1619 CA HIS A 103 10.684 0.962 -1.722 1.00 71.23 C ATOM 1620 C HIS A 103 11.340 0.361 -2.986 1.00 44.34 C ATOM 1621 O HIS A 103 10.618 -0.068 -3.884 1.00 52.41 O ATOM 1622 CB HIS A 103 10.079 -0.145 -0.810 1.00 73.14 C ATOM 1623 CG HIS A 103 11.098 -0.982 -0.100 1.00 42.23 C ATOM 1624 ND1 HIS A 103 11.442 -2.260 -0.485 1.00 43.15 N ATOM 1625 CD2 HIS A 103 11.878 -0.694 0.963 1.00 34.31 C ATOM 1626 CE1 HIS A 103 12.390 -2.705 0.313 1.00 72.34 C ATOM 1627 NE2 HIS A 103 12.667 -1.779 1.193 1.00 31.23 N ATOM 0 H HIS A 103 9.284 1.711 -3.087 1.00 53.02 H new ATOM 0 HA HIS A 103 11.448 1.486 -1.148 1.00 71.23 H new ATOM 0 HB2 HIS A 103 9.431 0.324 -0.069 1.00 73.14 H new ATOM 0 HB3 HIS A 103 9.450 -0.796 -1.417 1.00 73.14 H new ATOM 0 HD2 HIS A 103 11.876 0.227 1.527 1.00 34.31 H new ATOM 0 HE1 HIS A 103 12.861 -3.675 0.251 1.00 72.34 H new ATOM 0 HE2 HIS A 103 13.364 -1.857 1.934 1.00 31.23 H new ATOM 1636 N PRO A 104 12.711 0.312 -3.090 1.00 71.24 N ATOM 1637 CA PRO A 104 13.411 -0.159 -4.329 1.00 44.04 C ATOM 1638 C PRO A 104 13.145 -1.647 -4.662 1.00 11.04 C ATOM 1639 O PRO A 104 13.308 -2.066 -5.809 1.00 61.40 O ATOM 1640 CB PRO A 104 14.908 0.092 -4.014 1.00 61.12 C ATOM 1641 CG PRO A 104 14.980 0.076 -2.515 1.00 74.43 C ATOM 1642 CD PRO A 104 13.694 0.722 -2.044 1.00 43.22 C ATOM 0 HA PRO A 104 13.056 0.368 -5.214 1.00 44.04 H new ATOM 0 HB2 PRO A 104 15.541 -0.680 -4.451 1.00 61.12 H new ATOM 0 HB3 PRO A 104 15.245 1.047 -4.418 1.00 61.12 H new ATOM 0 HG2 PRO A 104 15.070 -0.942 -2.137 1.00 74.43 H new ATOM 0 HG3 PRO A 104 15.850 0.627 -2.158 1.00 74.43 H new ATOM 0 HD2 PRO A 104 13.403 0.368 -1.055 1.00 43.22 H new ATOM 0 HD3 PRO A 104 13.787 1.806 -1.980 1.00 43.22 H new ATOM 1650 N CYS A 105 12.734 -2.431 -3.645 1.00 20.22 N ATOM 1651 CA CYS A 105 12.405 -3.866 -3.815 1.00 72.01 C ATOM 1652 C CYS A 105 10.886 -4.070 -4.007 1.00 51.24 C ATOM 1653 O CYS A 105 10.400 -5.201 -4.029 1.00 60.25 O ATOM 1654 CB CYS A 105 12.926 -4.666 -2.603 1.00 71.34 C ATOM 1655 SG CYS A 105 14.612 -4.241 -2.117 1.00 2.33 S ATOM 0 H CYS A 105 12.621 -2.094 -2.689 1.00 20.22 H new ATOM 0 HA CYS A 105 12.897 -4.235 -4.715 1.00 72.01 H new ATOM 0 HB2 CYS A 105 12.261 -4.498 -1.756 1.00 71.34 H new ATOM 0 HB3 CYS A 105 12.883 -5.730 -2.836 1.00 71.34 H new ATOM 0 HG CYS A 105 14.962 -4.960 -1.092 1.00 2.33 H new ATOM 1661 N PHE A 106 10.136 -2.960 -4.122 1.00 22.12 N ATOM 1662 CA PHE A 106 8.707 -2.979 -4.484 1.00 65.43 C ATOM 1663 C PHE A 106 8.583 -2.299 -5.844 1.00 73.15 C ATOM 1664 O PHE A 106 8.645 -1.080 -5.931 1.00 33.22 O ATOM 1665 CB PHE A 106 7.842 -2.238 -3.409 1.00 73.55 C ATOM 1666 CG PHE A 106 6.321 -2.331 -3.629 1.00 61.45 C ATOM 1667 CD1 PHE A 106 5.643 -1.430 -4.464 1.00 61.24 C ATOM 1668 CD2 PHE A 106 5.569 -3.333 -3.012 1.00 32.44 C ATOM 1669 CE1 PHE A 106 4.278 -1.535 -4.667 1.00 74.34 C ATOM 1670 CE2 PHE A 106 4.201 -3.434 -3.218 1.00 45.24 C ATOM 1671 CZ PHE A 106 3.558 -2.537 -4.045 1.00 24.34 C ATOM 0 H PHE A 106 10.504 -2.022 -3.966 1.00 22.12 H new ATOM 0 HA PHE A 106 8.338 -4.004 -4.528 1.00 65.43 H new ATOM 0 HB2 PHE A 106 8.079 -2.648 -2.427 1.00 73.55 H new ATOM 0 HB3 PHE A 106 8.129 -1.187 -3.393 1.00 73.55 H new ATOM 0 HD1 PHE A 106 6.195 -0.643 -4.956 1.00 61.24 H new ATOM 0 HD2 PHE A 106 6.061 -4.042 -2.363 1.00 32.44 H new ATOM 0 HE1 PHE A 106 3.774 -0.832 -5.313 1.00 74.34 H new ATOM 0 HE2 PHE A 106 3.639 -4.216 -2.730 1.00 45.24 H new ATOM 0 HZ PHE A 106 2.493 -2.618 -4.206 1.00 24.34 H new ATOM 1681 N LEU A 107 8.477 -3.096 -6.912 1.00 62.52 N ATOM 1682 CA LEU A 107 8.261 -2.594 -8.283 1.00 31.24 C ATOM 1683 C LEU A 107 7.071 -3.356 -8.908 1.00 22.22 C ATOM 1684 O LEU A 107 6.724 -4.464 -8.459 1.00 74.30 O ATOM 1685 CB LEU A 107 9.547 -2.776 -9.149 1.00 72.25 C ATOM 1686 CG LEU A 107 10.884 -2.180 -8.588 1.00 10.22 C ATOM 1687 CD1 LEU A 107 12.083 -2.597 -9.461 1.00 52.32 C ATOM 1688 CD2 LEU A 107 10.815 -0.646 -8.445 1.00 74.42 C ATOM 0 H LEU A 107 8.538 -4.113 -6.855 1.00 62.52 H new ATOM 0 HA LEU A 107 8.037 -1.528 -8.249 1.00 31.24 H new ATOM 0 HB2 LEU A 107 9.696 -3.844 -9.311 1.00 72.25 H new ATOM 0 HB3 LEU A 107 9.362 -2.328 -10.125 1.00 72.25 H new ATOM 0 HG LEU A 107 11.027 -2.593 -7.589 1.00 10.22 H new ATOM 0 HD11 LEU A 107 12.998 -2.170 -9.050 1.00 52.32 H new ATOM 0 HD12 LEU A 107 12.163 -3.684 -9.474 1.00 52.32 H new ATOM 0 HD13 LEU A 107 11.937 -2.232 -10.478 1.00 52.32 H new ATOM 0 HD21 LEU A 107 11.762 -0.274 -8.053 1.00 74.42 H new ATOM 0 HD22 LEU A 107 10.625 -0.198 -9.420 1.00 74.42 H new ATOM 0 HD23 LEU A 107 10.010 -0.380 -7.760 1.00 74.42 H new ATOM 1700 N ARG A 108 6.459 -2.762 -9.943 1.00 21.14 N ATOM 1701 CA ARG A 108 5.292 -3.336 -10.632 1.00 10.30 C ATOM 1702 C ARG A 108 5.710 -4.524 -11.510 1.00 2.21 C ATOM 1703 O ARG A 108 6.618 -4.394 -12.347 1.00 74.02 O ATOM 1704 CB ARG A 108 4.586 -2.248 -11.475 1.00 44.22 C ATOM 1705 CG ARG A 108 3.437 -2.746 -12.377 1.00 41.32 C ATOM 1706 CD ARG A 108 2.746 -1.606 -13.127 1.00 63.30 C ATOM 1707 NE ARG A 108 3.691 -0.789 -13.917 1.00 63.30 N ATOM 1708 CZ ARG A 108 3.339 0.062 -14.893 1.00 25.43 C ATOM 1709 NH1 ARG A 108 2.056 0.216 -15.233 1.00 25.31 N ATOM 1710 NH2 ARG A 108 4.278 0.760 -15.525 1.00 31.12 N ATOM 0 H ARG A 108 6.760 -1.867 -10.328 1.00 21.14 H new ATOM 0 HA ARG A 108 4.590 -3.704 -9.884 1.00 10.30 H new ATOM 0 HB2 ARG A 108 4.191 -1.489 -10.799 1.00 44.22 H new ATOM 0 HB3 ARG A 108 5.331 -1.759 -12.103 1.00 44.22 H new ATOM 0 HG2 ARG A 108 3.829 -3.465 -13.096 1.00 41.32 H new ATOM 0 HG3 ARG A 108 2.703 -3.273 -11.767 1.00 41.32 H new ATOM 0 HD2 ARG A 108 1.987 -2.020 -13.791 1.00 63.30 H new ATOM 0 HD3 ARG A 108 2.229 -0.966 -12.412 1.00 63.30 H new ATOM 0 HE ARG A 108 4.685 -0.879 -13.705 1.00 63.30 H new ATOM 0 HH11 ARG A 108 1.333 -0.316 -14.749 1.00 25.31 H new ATOM 0 HH12 ARG A 108 1.800 0.866 -15.976 1.00 25.31 H new ATOM 0 HH21 ARG A 108 5.258 0.647 -15.267 1.00 31.12 H new ATOM 0 HH22 ARG A 108 4.018 1.409 -16.268 1.00 31.12 H new ATOM 1724 N GLY A 109 5.042 -5.674 -11.300 1.00 24.22 N ATOM 1725 CA GLY A 109 5.360 -6.912 -12.008 1.00 21.35 C ATOM 1726 C GLY A 109 6.706 -7.476 -11.599 1.00 14.20 C ATOM 1727 O GLY A 109 7.378 -8.138 -12.390 1.00 62.50 O ATOM 0 H GLY A 109 4.272 -5.763 -10.637 1.00 24.22 H new ATOM 0 HA2 GLY A 109 4.583 -7.651 -11.811 1.00 21.35 H new ATOM 0 HA3 GLY A 109 5.357 -6.725 -13.082 1.00 21.35 H new ATOM 1731 N GLN A 110 7.093 -7.190 -10.351 1.00 62.55 N ATOM 1732 CA GLN A 110 8.405 -7.554 -9.800 1.00 64.44 C ATOM 1733 C GLN A 110 8.192 -8.093 -8.368 1.00 33.13 C ATOM 1734 O GLN A 110 9.005 -7.900 -7.454 1.00 30.42 O ATOM 1735 CB GLN A 110 9.326 -6.299 -9.852 1.00 1.22 C ATOM 1736 CG GLN A 110 10.842 -6.564 -9.756 1.00 75.32 C ATOM 1737 CD GLN A 110 11.488 -7.101 -11.042 1.00 32.33 C ATOM 1738 OE1 GLN A 110 10.854 -7.759 -11.861 1.00 13.13 O ATOM 1739 NE2 GLN A 110 12.767 -6.826 -11.228 1.00 31.35 N ATOM 0 H GLN A 110 6.498 -6.694 -9.687 1.00 62.55 H new ATOM 0 HA GLN A 110 8.895 -8.338 -10.377 1.00 64.44 H new ATOM 0 HB2 GLN A 110 9.129 -5.768 -10.783 1.00 1.22 H new ATOM 0 HB3 GLN A 110 9.042 -5.632 -9.038 1.00 1.22 H new ATOM 0 HG2 GLN A 110 11.341 -5.636 -9.476 1.00 75.32 H new ATOM 0 HG3 GLN A 110 11.021 -7.277 -8.952 1.00 75.32 H new ATOM 0 HE21 GLN A 110 13.277 -6.277 -10.535 1.00 31.35 H new ATOM 0 HE22 GLN A 110 13.245 -7.162 -12.064 1.00 31.35 H new ATOM 1748 N GLU A 111 7.082 -8.839 -8.235 1.00 71.24 N ATOM 1749 CA GLU A 111 6.566 -9.372 -6.955 1.00 51.20 C ATOM 1750 C GLU A 111 7.461 -10.476 -6.344 1.00 34.23 C ATOM 1751 O GLU A 111 7.244 -10.875 -5.185 1.00 61.35 O ATOM 1752 CB GLU A 111 5.096 -9.880 -7.109 1.00 33.53 C ATOM 1753 CG GLU A 111 4.853 -10.978 -8.175 1.00 41.34 C ATOM 1754 CD GLU A 111 4.866 -10.450 -9.626 1.00 53.33 C ATOM 1755 OE1 GLU A 111 3.925 -9.714 -10.004 1.00 65.53 O ATOM 1756 OE2 GLU A 111 5.836 -10.722 -10.375 1.00 62.25 O ATOM 0 H GLU A 111 6.501 -9.097 -9.033 1.00 71.24 H new ATOM 0 HA GLU A 111 6.582 -8.537 -6.255 1.00 51.20 H new ATOM 0 HB2 GLU A 111 4.764 -10.262 -6.144 1.00 33.53 H new ATOM 0 HB3 GLU A 111 4.463 -9.026 -7.349 1.00 33.53 H new ATOM 0 HG2 GLU A 111 5.618 -11.748 -8.071 1.00 41.34 H new ATOM 0 HG3 GLU A 111 3.892 -11.455 -7.980 1.00 41.34 H new ATOM 1763 N GLN A 112 8.452 -10.977 -7.118 1.00 55.13 N ATOM 1764 CA GLN A 112 9.477 -11.918 -6.600 1.00 20.10 C ATOM 1765 C GLN A 112 10.369 -11.248 -5.525 1.00 51.22 C ATOM 1766 O GLN A 112 11.045 -11.936 -4.751 1.00 71.42 O ATOM 1767 CB GLN A 112 10.374 -12.494 -7.737 1.00 41.34 C ATOM 1768 CG GLN A 112 11.324 -11.486 -8.449 1.00 4.11 C ATOM 1769 CD GLN A 112 10.727 -10.784 -9.673 1.00 33.31 C ATOM 1770 OE1 GLN A 112 9.519 -10.591 -9.787 1.00 0.22 O ATOM 1771 NE2 GLN A 112 11.577 -10.387 -10.601 1.00 64.54 N ATOM 0 H GLN A 112 8.565 -10.746 -8.105 1.00 55.13 H new ATOM 0 HA GLN A 112 8.931 -12.744 -6.144 1.00 20.10 H new ATOM 0 HB2 GLN A 112 10.980 -13.298 -7.319 1.00 41.34 H new ATOM 0 HB3 GLN A 112 9.725 -12.942 -8.490 1.00 41.34 H new ATOM 0 HG2 GLN A 112 11.630 -10.728 -7.728 1.00 4.11 H new ATOM 0 HG3 GLN A 112 12.226 -12.016 -8.757 1.00 4.11 H new ATOM 0 HE21 GLN A 112 12.576 -10.558 -10.485 1.00 64.54 H new ATOM 0 HE22 GLN A 112 11.235 -9.909 -11.435 1.00 64.54 H new ATOM 1780 N LEU A 113 10.367 -9.901 -5.493 1.00 42.31 N ATOM 1781 CA LEU A 113 11.175 -9.116 -4.550 1.00 13.54 C ATOM 1782 C LEU A 113 10.410 -8.823 -3.246 1.00 41.14 C ATOM 1783 O LEU A 113 11.000 -8.284 -2.306 1.00 23.12 O ATOM 1784 CB LEU A 113 11.641 -7.788 -5.198 1.00 25.31 C ATOM 1785 CG LEU A 113 12.512 -7.887 -6.484 1.00 1.41 C ATOM 1786 CD1 LEU A 113 12.971 -6.483 -6.927 1.00 41.11 C ATOM 1787 CD2 LEU A 113 13.709 -8.841 -6.291 1.00 42.14 C ATOM 0 H LEU A 113 9.803 -9.330 -6.122 1.00 42.31 H new ATOM 0 HA LEU A 113 12.049 -9.717 -4.300 1.00 13.54 H new ATOM 0 HB2 LEU A 113 10.755 -7.200 -5.436 1.00 25.31 H new ATOM 0 HB3 LEU A 113 12.204 -7.228 -4.452 1.00 25.31 H new ATOM 0 HG LEU A 113 11.898 -8.312 -7.278 1.00 1.41 H new ATOM 0 HD11 LEU A 113 13.579 -6.566 -7.828 1.00 41.11 H new ATOM 0 HD12 LEU A 113 12.098 -5.864 -7.135 1.00 41.11 H new ATOM 0 HD13 LEU A 113 13.560 -6.025 -6.132 1.00 41.11 H new ATOM 0 HD21 LEU A 113 14.293 -8.883 -7.211 1.00 42.14 H new ATOM 0 HD22 LEU A 113 14.338 -8.476 -5.479 1.00 42.14 H new ATOM 0 HD23 LEU A 113 13.344 -9.839 -6.047 1.00 42.14 H new ATOM 1799 N LEU A 114 9.105 -9.173 -3.182 1.00 33.33 N ATOM 1800 CA LEU A 114 8.283 -8.962 -1.969 1.00 33.02 C ATOM 1801 C LEU A 114 8.769 -9.858 -0.808 1.00 13.54 C ATOM 1802 O LEU A 114 8.730 -9.451 0.352 1.00 64.21 O ATOM 1803 CB LEU A 114 6.781 -9.219 -2.261 1.00 5.14 C ATOM 1804 CG LEU A 114 6.089 -8.291 -3.306 1.00 72.25 C ATOM 1805 CD1 LEU A 114 4.612 -8.699 -3.515 1.00 62.52 C ATOM 1806 CD2 LEU A 114 6.202 -6.811 -2.904 1.00 61.00 C ATOM 0 H LEU A 114 8.599 -9.603 -3.956 1.00 33.33 H new ATOM 0 HA LEU A 114 8.398 -7.921 -1.669 1.00 33.02 H new ATOM 0 HB2 LEU A 114 6.674 -10.249 -2.601 1.00 5.14 H new ATOM 0 HB3 LEU A 114 6.235 -9.136 -1.321 1.00 5.14 H new ATOM 0 HG LEU A 114 6.611 -8.414 -4.255 1.00 72.25 H new ATOM 0 HD11 LEU A 114 4.152 -8.037 -4.248 1.00 62.52 H new ATOM 0 HD12 LEU A 114 4.566 -9.727 -3.875 1.00 62.52 H new ATOM 0 HD13 LEU A 114 4.076 -8.622 -2.569 1.00 62.52 H new ATOM 0 HD21 LEU A 114 5.709 -6.192 -3.654 1.00 61.00 H new ATOM 0 HD22 LEU A 114 5.723 -6.659 -1.937 1.00 61.00 H new ATOM 0 HD23 LEU A 114 7.253 -6.532 -2.836 1.00 61.00 H new ATOM 1818 N GLU A 115 9.261 -11.072 -1.140 1.00 70.32 N ATOM 1819 CA GLU A 115 9.868 -11.980 -0.140 1.00 43.03 C ATOM 1820 C GLU A 115 11.262 -11.491 0.293 1.00 41.43 C ATOM 1821 O GLU A 115 11.820 -11.965 1.292 1.00 24.34 O ATOM 1822 CB GLU A 115 9.964 -13.426 -0.673 1.00 70.45 C ATOM 1823 CG GLU A 115 10.849 -13.634 -1.914 1.00 70.12 C ATOM 1824 CD GLU A 115 11.028 -15.125 -2.247 1.00 21.14 C ATOM 1825 OE1 GLU A 115 10.161 -15.704 -2.939 1.00 12.44 O ATOM 1826 OE2 GLU A 115 12.027 -15.737 -1.805 1.00 15.02 O ATOM 0 H GLU A 115 9.250 -11.445 -2.089 1.00 70.32 H new ATOM 0 HA GLU A 115 9.211 -11.973 0.730 1.00 43.03 H new ATOM 0 HB2 GLU A 115 10.341 -14.062 0.128 1.00 70.45 H new ATOM 0 HB3 GLU A 115 8.958 -13.772 -0.908 1.00 70.45 H new ATOM 0 HG2 GLU A 115 10.404 -13.122 -2.767 1.00 70.12 H new ATOM 0 HG3 GLU A 115 11.825 -13.180 -1.744 1.00 70.12 H new ATOM 1833 N ASN A 116 11.807 -10.528 -0.457 1.00 44.45 N ATOM 1834 CA ASN A 116 13.101 -9.904 -0.161 1.00 31.25 C ATOM 1835 C ASN A 116 12.872 -8.611 0.643 1.00 30.31 C ATOM 1836 O ASN A 116 13.813 -8.081 1.241 1.00 74.24 O ATOM 1837 CB ASN A 116 13.873 -9.623 -1.474 1.00 13.11 C ATOM 1838 CG ASN A 116 14.269 -10.901 -2.218 1.00 24.10 C ATOM 1839 OD1 ASN A 116 13.376 -11.418 -3.051 1.00 51.10 O flip ATOM 1840 ND2 ASN A 116 15.360 -11.439 -2.025 1.00 72.35 N flip ATOM 0 H ASN A 116 11.358 -10.156 -1.294 1.00 44.45 H new ATOM 0 HA ASN A 116 13.707 -10.582 0.439 1.00 31.25 H new ATOM 0 HB2 ASN A 116 13.257 -9.005 -2.127 1.00 13.11 H new ATOM 0 HB3 ASN A 116 14.771 -9.049 -1.246 1.00 13.11 H new ATOM 0 HD21 ASN A 116 16.028 -11.019 -1.379 1.00 72.35 H new ATOM 0 HD22 ASN A 116 15.595 -12.304 -2.512 1.00 72.35 H new ATOM 1847 N ILE A 117 11.601 -8.126 0.666 1.00 62.14 N ATOM 1848 CA ILE A 117 11.179 -7.032 1.560 1.00 25.52 C ATOM 1849 C ILE A 117 10.837 -7.661 2.927 1.00 61.01 C ATOM 1850 O ILE A 117 9.676 -7.948 3.230 1.00 44.52 O ATOM 1851 CB ILE A 117 9.926 -6.217 1.029 1.00 1.24 C ATOM 1852 CG1 ILE A 117 10.126 -5.735 -0.435 1.00 2.20 C ATOM 1853 CG2 ILE A 117 9.620 -5.005 1.952 1.00 73.33 C ATOM 1854 CD1 ILE A 117 8.933 -4.992 -1.025 1.00 42.10 C ATOM 0 H ILE A 117 10.854 -8.483 0.070 1.00 62.14 H new ATOM 0 HA ILE A 117 11.997 -6.315 1.622 1.00 25.52 H new ATOM 0 HB ILE A 117 9.074 -6.897 1.045 1.00 1.24 H new ATOM 0 HG12 ILE A 117 10.999 -5.083 -0.473 1.00 2.20 H new ATOM 0 HG13 ILE A 117 10.346 -6.599 -1.062 1.00 2.20 H new ATOM 0 HG21 ILE A 117 8.757 -4.463 1.566 1.00 73.33 H new ATOM 0 HG22 ILE A 117 9.405 -5.360 2.960 1.00 73.33 H new ATOM 0 HG23 ILE A 117 10.484 -4.341 1.978 1.00 73.33 H new ATOM 0 HD11 ILE A 117 9.160 -4.693 -2.048 1.00 42.10 H new ATOM 0 HD12 ILE A 117 8.060 -5.645 -1.023 1.00 42.10 H new ATOM 0 HD13 ILE A 117 8.724 -4.106 -0.426 1.00 42.10 H new ATOM 1866 N LYS A 118 11.884 -8.021 3.666 1.00 23.32 N ATOM 1867 CA LYS A 118 11.771 -8.512 5.051 1.00 51.22 C ATOM 1868 C LYS A 118 11.328 -7.411 6.061 1.00 54.13 C ATOM 1869 O LYS A 118 11.635 -6.225 5.902 1.00 52.32 O ATOM 1870 CB LYS A 118 13.095 -9.256 5.498 1.00 50.30 C ATOM 1871 CG LYS A 118 14.446 -8.868 4.819 1.00 62.44 C ATOM 1872 CD LYS A 118 15.009 -7.463 5.189 1.00 23.45 C ATOM 1873 CE LYS A 118 14.486 -6.319 4.318 1.00 40.24 C ATOM 1874 NZ LYS A 118 15.070 -5.013 4.712 1.00 14.12 N ATOM 0 H LYS A 118 12.844 -7.983 3.325 1.00 23.32 H new ATOM 0 HA LYS A 118 10.963 -9.244 5.063 1.00 51.22 H new ATOM 0 HB2 LYS A 118 13.211 -9.106 6.571 1.00 50.30 H new ATOM 0 HB3 LYS A 118 12.942 -10.324 5.340 1.00 50.30 H new ATOM 0 HG2 LYS A 118 15.192 -9.618 5.081 1.00 62.44 H new ATOM 0 HG3 LYS A 118 14.314 -8.913 3.738 1.00 62.44 H new ATOM 0 HD2 LYS A 118 14.765 -7.251 6.230 1.00 23.45 H new ATOM 0 HD3 LYS A 118 16.096 -7.491 5.116 1.00 23.45 H new ATOM 0 HE2 LYS A 118 14.721 -6.521 3.273 1.00 40.24 H new ATOM 0 HE3 LYS A 118 13.400 -6.270 4.397 1.00 40.24 H new ATOM 0 HZ1 LYS A 118 14.691 -4.264 4.098 1.00 14.12 H new ATOM 0 HZ2 LYS A 118 14.825 -4.807 5.702 1.00 14.12 H new ATOM 0 HZ3 LYS A 118 16.105 -5.051 4.613 1.00 14.12 H new ATOM 1888 N ARG A 119 10.575 -7.856 7.084 1.00 70.22 N ATOM 1889 CA ARG A 119 10.134 -7.006 8.220 1.00 75.41 C ATOM 1890 C ARG A 119 11.230 -6.985 9.304 1.00 13.44 C ATOM 1891 O ARG A 119 11.353 -6.027 10.068 1.00 11.33 O ATOM 1892 CB ARG A 119 8.776 -7.498 8.814 1.00 73.22 C ATOM 1893 CG ARG A 119 8.744 -8.987 9.223 1.00 64.03 C ATOM 1894 CD ARG A 119 7.434 -9.405 9.919 1.00 63.32 C ATOM 1895 NE ARG A 119 7.337 -8.855 11.284 1.00 41.44 N ATOM 1896 CZ ARG A 119 6.331 -9.078 12.156 1.00 71.40 C ATOM 1897 NH1 ARG A 119 5.281 -9.832 11.828 1.00 45.34 N ATOM 1898 NH2 ARG A 119 6.390 -8.547 13.370 1.00 62.32 N ATOM 0 H ARG A 119 10.250 -8.821 7.152 1.00 70.22 H new ATOM 0 HA ARG A 119 9.974 -5.993 7.850 1.00 75.41 H new ATOM 0 HB2 ARG A 119 8.538 -6.892 9.688 1.00 73.22 H new ATOM 0 HB3 ARG A 119 7.990 -7.321 8.080 1.00 73.22 H new ATOM 0 HG2 ARG A 119 8.887 -9.603 8.335 1.00 64.03 H new ATOM 0 HG3 ARG A 119 9.582 -9.191 9.890 1.00 64.03 H new ATOM 0 HD2 ARG A 119 6.584 -9.063 9.329 1.00 63.32 H new ATOM 0 HD3 ARG A 119 7.376 -10.493 9.961 1.00 63.32 H new ATOM 0 HE ARG A 119 8.098 -8.252 11.597 1.00 41.44 H new ATOM 0 HH11 ARG A 119 5.226 -10.254 10.901 1.00 45.34 H new ATOM 0 HH12 ARG A 119 4.533 -9.986 12.504 1.00 45.34 H new ATOM 0 HH21 ARG A 119 7.191 -7.975 13.638 1.00 62.32 H new ATOM 0 HH22 ARG A 119 5.634 -8.710 14.035 1.00 62.32 H new ATOM 1912 N LYS A 120 12.009 -8.074 9.345 1.00 21.41 N ATOM 1913 CA LYS A 120 13.171 -8.253 10.230 1.00 11.01 C ATOM 1914 C LYS A 120 14.468 -8.062 9.427 1.00 4.11 C ATOM 1915 O LYS A 120 14.427 -7.974 8.208 1.00 45.53 O ATOM 1916 CB LYS A 120 13.115 -9.680 10.848 1.00 33.54 C ATOM 1917 CG LYS A 120 11.930 -9.914 11.813 1.00 33.34 C ATOM 1918 CD LYS A 120 12.010 -9.052 13.095 1.00 63.22 C ATOM 1919 CE LYS A 120 13.263 -9.356 13.939 1.00 33.10 C ATOM 1920 NZ LYS A 120 13.359 -8.483 15.137 1.00 62.12 N ATOM 0 H LYS A 120 11.844 -8.882 8.744 1.00 21.41 H new ATOM 0 HA LYS A 120 13.151 -7.514 11.031 1.00 11.01 H new ATOM 0 HB2 LYS A 120 13.059 -10.410 10.041 1.00 33.54 H new ATOM 0 HB3 LYS A 120 14.046 -9.867 11.383 1.00 33.54 H new ATOM 0 HG2 LYS A 120 10.997 -9.695 11.293 1.00 33.34 H new ATOM 0 HG3 LYS A 120 11.899 -10.967 12.092 1.00 33.34 H new ATOM 0 HD2 LYS A 120 12.010 -7.997 12.819 1.00 63.22 H new ATOM 0 HD3 LYS A 120 11.119 -9.224 13.699 1.00 63.22 H new ATOM 0 HE2 LYS A 120 13.243 -10.400 14.253 1.00 33.10 H new ATOM 0 HE3 LYS A 120 14.153 -9.225 13.324 1.00 33.10 H new ATOM 0 HZ1 LYS A 120 14.217 -8.723 15.674 1.00 62.12 H new ATOM 0 HZ2 LYS A 120 13.405 -7.488 14.839 1.00 62.12 H new ATOM 0 HZ3 LYS A 120 12.523 -8.626 15.739 1.00 62.12 H new ATOM 1934 N VAL A 121 15.620 -8.025 10.115 1.00 44.22 N ATOM 1935 CA VAL A 121 16.955 -7.941 9.457 1.00 65.54 C ATOM 1936 C VAL A 121 17.557 -9.376 9.305 1.00 32.01 C ATOM 1937 O VAL A 121 18.782 -9.597 9.337 1.00 63.24 O ATOM 1938 CB VAL A 121 17.887 -6.953 10.271 1.00 54.31 C ATOM 1939 CG1 VAL A 121 18.280 -7.510 11.656 1.00 13.42 C ATOM 1940 CG2 VAL A 121 19.134 -6.499 9.457 1.00 42.35 C ATOM 0 H VAL A 121 15.664 -8.052 11.134 1.00 44.22 H new ATOM 0 HA VAL A 121 16.864 -7.531 8.451 1.00 65.54 H new ATOM 0 HB VAL A 121 17.286 -6.061 10.451 1.00 54.31 H new ATOM 0 HG11 VAL A 121 18.919 -6.791 12.169 1.00 13.42 H new ATOM 0 HG12 VAL A 121 17.381 -7.683 12.247 1.00 13.42 H new ATOM 0 HG13 VAL A 121 18.818 -8.449 11.531 1.00 13.42 H new ATOM 0 HG21 VAL A 121 19.738 -5.823 10.063 1.00 42.35 H new ATOM 0 HG22 VAL A 121 19.728 -7.371 9.185 1.00 42.35 H new ATOM 0 HG23 VAL A 121 18.810 -5.984 8.552 1.00 42.35 H new ATOM 1950 N THR A 122 16.635 -10.348 9.092 1.00 71.03 N ATOM 1951 CA THR A 122 16.952 -11.775 8.927 1.00 75.53 C ATOM 1952 C THR A 122 17.838 -12.004 7.674 1.00 54.10 C ATOM 1953 O THR A 122 17.370 -11.954 6.528 1.00 42.01 O ATOM 1954 CB THR A 122 15.632 -12.645 8.896 1.00 63.41 C ATOM 1955 OG1 THR A 122 15.947 -14.020 8.622 1.00 2.41 O ATOM 1956 CG2 THR A 122 14.580 -12.134 7.887 1.00 43.44 C ATOM 0 H THR A 122 15.636 -10.151 9.030 1.00 71.03 H new ATOM 0 HA THR A 122 17.531 -12.104 9.790 1.00 75.53 H new ATOM 0 HB THR A 122 15.184 -12.554 9.886 1.00 63.41 H new ATOM 0 HG1 THR A 122 15.122 -14.548 8.607 1.00 2.41 H new ATOM 0 HG21 THR A 122 13.701 -12.778 7.920 1.00 43.44 H new ATOM 0 HG22 THR A 122 14.292 -11.115 8.146 1.00 43.44 H new ATOM 0 HG23 THR A 122 15.003 -12.148 6.882 1.00 43.44 H new ATOM 1964 N SER A 123 19.141 -12.191 7.937 1.00 64.31 N ATOM 1965 CA SER A 123 20.202 -12.320 6.915 1.00 72.01 C ATOM 1966 C SER A 123 21.531 -12.651 7.628 1.00 60.31 C ATOM 1967 O SER A 123 21.702 -12.277 8.796 1.00 62.43 O ATOM 1968 CB SER A 123 20.336 -11.001 6.097 1.00 1.23 C ATOM 1969 OG SER A 123 20.454 -9.871 6.954 1.00 33.31 O ATOM 0 H SER A 123 19.499 -12.259 8.890 1.00 64.31 H new ATOM 0 HA SER A 123 19.948 -13.119 6.218 1.00 72.01 H new ATOM 0 HB2 SER A 123 21.209 -11.060 5.448 1.00 1.23 H new ATOM 0 HB3 SER A 123 19.466 -10.881 5.451 1.00 1.23 H new ATOM 0 HG SER A 123 19.725 -9.879 7.609 1.00 33.31 H new ATOM 1975 N VAL A 124 22.461 -13.336 6.933 1.00 13.51 N ATOM 1976 CA VAL A 124 23.752 -13.769 7.527 1.00 22.13 C ATOM 1977 C VAL A 124 24.633 -12.558 7.938 1.00 31.12 C ATOM 1978 O VAL A 124 24.726 -11.562 7.207 1.00 24.03 O ATOM 1979 CB VAL A 124 24.542 -14.727 6.551 1.00 22.32 C ATOM 1980 CG1 VAL A 124 23.745 -16.031 6.313 1.00 72.42 C ATOM 1981 CG2 VAL A 124 24.880 -14.031 5.209 1.00 61.40 C ATOM 0 H VAL A 124 22.346 -13.604 5.956 1.00 13.51 H new ATOM 0 HA VAL A 124 23.513 -14.327 8.432 1.00 22.13 H new ATOM 0 HB VAL A 124 25.489 -14.980 7.029 1.00 22.32 H new ATOM 0 HG11 VAL A 124 24.303 -16.680 5.638 1.00 72.42 H new ATOM 0 HG12 VAL A 124 23.591 -16.542 7.263 1.00 72.42 H new ATOM 0 HG13 VAL A 124 22.779 -15.791 5.869 1.00 72.42 H new ATOM 0 HG21 VAL A 124 25.423 -14.724 4.566 1.00 61.40 H new ATOM 0 HG22 VAL A 124 23.958 -13.725 4.715 1.00 61.40 H new ATOM 0 HG23 VAL A 124 25.497 -13.153 5.400 1.00 61.40 H new ATOM 1991 N SER A 125 25.255 -12.654 9.127 1.00 2.03 N ATOM 1992 CA SER A 125 26.093 -11.579 9.692 1.00 23.44 C ATOM 1993 C SER A 125 27.562 -11.743 9.212 1.00 42.04 C ATOM 1994 O SER A 125 27.968 -11.048 8.257 1.00 72.55 O ATOM 1995 CB SER A 125 25.983 -11.595 11.239 1.00 42.20 C ATOM 1996 OG SER A 125 24.630 -11.493 11.654 1.00 14.10 O ATOM 1997 OXT SER A 125 28.287 -12.606 9.753 1.00 38.08 O ATOM 0 H SER A 125 25.191 -13.479 9.724 1.00 2.03 H new ATOM 0 HA SER A 125 25.741 -10.609 9.341 1.00 23.44 H new ATOM 0 HB2 SER A 125 26.418 -12.515 11.628 1.00 42.20 H new ATOM 0 HB3 SER A 125 26.558 -10.769 11.657 1.00 42.20 H new ATOM 0 HG SER A 125 24.586 -11.507 12.633 1.00 14.10 H new TER 2003 SER A 125