USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 978 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 119 GLN : amide:sc= -2.12 K(o=-6.4,f=-11!) USER MOD Set 1.2: A 130 ASN : amide:sc= -4.29! C(o=-6.4!,f=-21!) USER MOD Set 2.1: A 38 TYR OH : rot -30:sc= 0.972 USER MOD Set 2.2: A 94 THR OG1 : rot -166:sc= -1.35! USER MOD Set 2.3: A 104 SER OG : rot 104:sc= 1.13 USER MOD Set 3.1: A 21 SER OG : rot 80:sc= 1.08 USER MOD Set 3.2: A 44 THR OG1 : rot 81:sc= 1.62 USER MOD Single : A 20 SER OG : rot -115:sc= 0.00339 USER MOD Single : A 23 THR OG1 : rot -167:sc= -1.21 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 163:sc= -0.0238 (180deg=-0.33) USER MOD Single : A 31 LYS NZ :NH3+ -167:sc= 0.0331 (180deg=0.0183) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0.778 (180deg=0.778) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -29:sc= 0.153 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 60 SER OG : rot 180:sc= -1.05 USER MOD Single : A 64 ASN : amide:sc= -2.32 K(o=-2.3,f=-2.8!) USER MOD Single : A 65 GLN : amide:sc=-0.00497 K(o=-0.005,f=-1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -1.52! C(o=-1.5!,f=-5!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 126:sc= 0.624 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 74:sc= -0.25 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 165:sc= -1.92! USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS :FLIP no HE2:sc= -3.4! C(o=-4.4!,f=-3.4!) USER MOD Single : A 95 SER OG : rot -140:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.372 X(o=-0.37,f=-0.017) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -37:sc= 0.389 USER MOD Single : A 106 ASN : amide:sc= -2.81 K(o=-2.8,f=-4.6!) USER MOD Single : A 108 THR OG1 : rot -145:sc= -0.212 USER MOD Single : A 109 ASN : amide:sc= -0.0638 X(o=-0.064,f=0) USER MOD Single : A 111 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot -14:sc= -1.26 USER MOD Single : A 121 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.669) USER MOD Single : A 123 LYS NZ :NH3+ 161:sc= -0.0057 (180deg=-0.497) USER MOD Single : A 124 LYS NZ :NH3+ -146:sc= -2.87! (180deg=-4.72!) USER MOD Single : A 131 LYS NZ :NH3+ 166:sc= -0.822 (180deg=-1.6) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 HIS : no HD1:sc= -2.68! X(o=-2.7!,f=-2.2) USER MOD Single : A 140 LYS NZ :NH3+ 162:sc= -1.13 (180deg=-1.71) USER MOD Single : A 142 SER OG : rot 180:sc= 0.3 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 -8.232 -13.195 -9.973 1.00 3.28 N ATOM 2 CA GLY A 19 -7.599 -13.629 -11.250 1.00 2.94 C ATOM 3 C GLY A 19 -6.236 -14.275 -11.051 1.00 2.29 C ATOM 4 O GLY A 19 -5.723 -14.937 -11.952 1.00 2.40 O ATOM 0 HA2 GLY A 19 -8.259 -14.335 -11.754 1.00 2.94 H new ATOM 0 HA3 GLY A 19 -7.493 -12.766 -11.908 1.00 2.94 H new ATOM 10 N SER A 20 -5.650 -14.088 -9.870 1.00 2.00 N ATOM 11 CA SER A 20 -4.345 -14.664 -9.564 1.00 1.53 C ATOM 12 C SER A 20 -4.179 -14.839 -8.058 1.00 1.15 C ATOM 13 O SER A 20 -4.848 -14.171 -7.270 1.00 1.57 O ATOM 14 CB SER A 20 -3.226 -13.777 -10.115 1.00 1.94 C ATOM 15 OG SER A 20 -3.143 -12.555 -9.401 1.00 2.43 O ATOM 0 H SER A 20 -6.059 -13.543 -9.111 1.00 2.00 H new ATOM 0 HA SER A 20 -4.283 -15.643 -10.040 1.00 1.53 H new ATOM 0 HB2 SER A 20 -2.274 -14.305 -10.050 1.00 1.94 H new ATOM 0 HB3 SER A 20 -3.406 -13.573 -11.171 1.00 1.94 H new ATOM 0 HG SER A 20 -3.364 -11.811 -9.999 1.00 2.43 H new ATOM 21 N SER A 21 -3.293 -15.748 -7.663 1.00 0.84 N ATOM 22 CA SER A 21 -3.056 -16.013 -6.249 1.00 0.85 C ATOM 23 C SER A 21 -2.188 -14.928 -5.618 1.00 0.68 C ATOM 24 O SER A 21 -1.322 -14.345 -6.273 1.00 0.67 O ATOM 25 CB SER A 21 -2.399 -17.383 -6.070 1.00 1.25 C ATOM 26 OG SER A 21 -1.112 -17.414 -6.661 1.00 1.84 O ATOM 0 H SER A 21 -2.729 -16.311 -8.300 1.00 0.84 H new ATOM 0 HA SER A 21 -4.021 -16.010 -5.742 1.00 0.85 H new ATOM 0 HB2 SER A 21 -2.320 -17.616 -5.008 1.00 1.25 H new ATOM 0 HB3 SER A 21 -3.027 -18.152 -6.519 1.00 1.25 H new ATOM 0 HG SER A 21 -0.465 -16.991 -6.059 1.00 1.84 H new ATOM 32 N ILE A 22 -2.438 -14.660 -4.340 1.00 0.80 N ATOM 33 CA ILE A 22 -1.702 -13.647 -3.604 1.00 0.68 C ATOM 34 C ILE A 22 -1.609 -14.008 -2.124 1.00 0.61 C ATOM 35 O ILE A 22 -2.494 -14.667 -1.578 1.00 0.68 O ATOM 36 CB ILE A 22 -2.365 -12.264 -3.741 1.00 0.79 C ATOM 37 CG1 ILE A 22 -3.813 -12.387 -4.225 1.00 1.65 C ATOM 38 CG2 ILE A 22 -1.561 -11.378 -4.681 1.00 1.49 C ATOM 39 CD1 ILE A 22 -4.703 -11.258 -3.753 1.00 2.15 C ATOM 0 H ILE A 22 -3.153 -15.138 -3.791 1.00 0.80 H new ATOM 0 HA ILE A 22 -0.700 -13.606 -4.032 1.00 0.68 H new ATOM 0 HB ILE A 22 -2.381 -11.801 -2.754 1.00 0.79 H new ATOM 0 HG12 ILE A 22 -3.823 -12.416 -5.315 1.00 1.65 H new ATOM 0 HG13 ILE A 22 -4.225 -13.334 -3.877 1.00 1.65 H new ATOM 0 HG21 ILE A 22 -2.044 -10.405 -4.766 1.00 1.49 H new ATOM 0 HG22 ILE A 22 -0.553 -11.249 -4.287 1.00 1.49 H new ATOM 0 HG23 ILE A 22 -1.509 -11.844 -5.665 1.00 1.49 H new ATOM 0 HD11 ILE A 22 -5.714 -11.409 -4.132 1.00 2.15 H new ATOM 0 HD12 ILE A 22 -4.723 -11.242 -2.663 1.00 2.15 H new ATOM 0 HD13 ILE A 22 -4.314 -10.309 -4.123 1.00 2.15 H new ATOM 51 N THR A 23 -0.527 -13.579 -1.484 1.00 0.54 N ATOM 52 CA THR A 23 -0.309 -13.863 -0.068 1.00 0.56 C ATOM 53 C THR A 23 -0.806 -12.740 0.826 1.00 0.53 C ATOM 54 O THR A 23 -0.921 -11.587 0.410 1.00 0.56 O ATOM 55 CB THR A 23 1.173 -14.128 0.194 1.00 0.62 C ATOM 56 OG1 THR A 23 1.979 -13.372 -0.692 1.00 1.10 O ATOM 57 CG2 THR A 23 1.558 -15.584 0.039 1.00 1.12 C ATOM 0 H THR A 23 0.214 -13.033 -1.923 1.00 0.54 H new ATOM 0 HA THR A 23 -0.887 -14.754 0.177 1.00 0.56 H new ATOM 0 HB THR A 23 1.342 -13.835 1.230 1.00 0.62 H new ATOM 0 HG1 THR A 23 2.902 -13.700 -0.656 1.00 1.10 H new ATOM 0 HG21 THR A 23 2.623 -15.702 0.239 1.00 1.12 H new ATOM 0 HG22 THR A 23 0.987 -16.188 0.744 1.00 1.12 H new ATOM 0 HG23 THR A 23 1.341 -15.911 -0.978 1.00 1.12 H new ATOM 65 N THR A 24 -1.118 -13.119 2.058 1.00 0.52 N ATOM 66 CA THR A 24 -1.635 -12.207 3.064 1.00 0.53 C ATOM 67 C THR A 24 -2.609 -11.195 2.490 1.00 0.50 C ATOM 68 O THR A 24 -2.256 -10.056 2.184 1.00 0.52 O ATOM 69 CB THR A 24 -0.558 -11.505 3.844 1.00 0.59 C ATOM 70 OG1 THR A 24 0.645 -12.254 3.862 1.00 0.65 O ATOM 71 CG2 THR A 24 -1.007 -11.278 5.266 1.00 0.61 C ATOM 0 H THR A 24 -1.017 -14.079 2.388 1.00 0.52 H new ATOM 0 HA THR A 24 -2.178 -12.846 3.761 1.00 0.53 H new ATOM 0 HB THR A 24 -0.372 -10.551 3.351 1.00 0.59 H new ATOM 0 HG1 THR A 24 1.325 -11.769 4.375 1.00 0.65 H new ATOM 0 HG21 THR A 24 -0.218 -10.769 5.820 1.00 0.61 H new ATOM 0 HG22 THR A 24 -1.907 -10.664 5.270 1.00 0.61 H new ATOM 0 HG23 THR A 24 -1.221 -12.237 5.738 1.00 0.61 H new ATOM 79 N PRO A 25 -3.856 -11.626 2.351 1.00 0.49 N ATOM 80 CA PRO A 25 -4.934 -10.804 1.827 1.00 0.49 C ATOM 81 C PRO A 25 -5.499 -9.834 2.869 1.00 0.52 C ATOM 82 O PRO A 25 -5.159 -8.651 2.871 1.00 0.88 O ATOM 83 CB PRO A 25 -5.984 -11.824 1.410 1.00 0.52 C ATOM 84 CG PRO A 25 -5.733 -13.033 2.263 1.00 0.52 C ATOM 85 CD PRO A 25 -4.289 -12.977 2.706 1.00 0.50 C ATOM 0 HA PRO A 25 -4.597 -10.164 1.012 1.00 0.49 H new ATOM 0 HB2 PRO A 25 -6.991 -11.436 1.566 1.00 0.52 H new ATOM 0 HB3 PRO A 25 -5.896 -12.066 0.351 1.00 0.52 H new ATOM 0 HG2 PRO A 25 -6.400 -13.040 3.125 1.00 0.52 H new ATOM 0 HG3 PRO A 25 -5.928 -13.947 1.702 1.00 0.52 H new ATOM 0 HD2 PRO A 25 -4.194 -13.157 3.777 1.00 0.50 H new ATOM 0 HD3 PRO A 25 -3.688 -13.733 2.201 1.00 0.50 H new ATOM 93 N GLU A 26 -6.348 -10.331 3.762 1.00 0.35 N ATOM 94 CA GLU A 26 -6.927 -9.483 4.798 1.00 0.34 C ATOM 95 C GLU A 26 -5.904 -9.277 5.901 1.00 0.33 C ATOM 96 O GLU A 26 -5.303 -10.235 6.386 1.00 0.37 O ATOM 97 CB GLU A 26 -8.206 -10.112 5.356 1.00 0.38 C ATOM 98 CG GLU A 26 -8.926 -9.236 6.368 1.00 1.33 C ATOM 99 CD GLU A 26 -10.189 -9.883 6.904 1.00 1.57 C ATOM 100 OE1 GLU A 26 -10.605 -10.924 6.352 1.00 2.06 O ATOM 101 OE2 GLU A 26 -10.764 -9.347 7.875 1.00 2.05 O ATOM 0 H GLU A 26 -6.648 -11.305 3.790 1.00 0.35 H new ATOM 0 HA GLU A 26 -7.192 -8.517 4.369 1.00 0.34 H new ATOM 0 HB2 GLU A 26 -8.883 -10.330 4.530 1.00 0.38 H new ATOM 0 HB3 GLU A 26 -7.958 -11.064 5.825 1.00 0.38 H new ATOM 0 HG2 GLU A 26 -8.254 -9.018 7.198 1.00 1.33 H new ATOM 0 HG3 GLU A 26 -9.179 -8.283 5.903 1.00 1.33 H new ATOM 108 N GLU A 27 -5.659 -8.020 6.253 1.00 0.29 N ATOM 109 CA GLU A 27 -4.645 -7.717 7.249 1.00 0.28 C ATOM 110 C GLU A 27 -5.006 -6.547 8.158 1.00 0.25 C ATOM 111 O GLU A 27 -5.769 -5.655 7.787 1.00 0.25 O ATOM 112 CB GLU A 27 -3.351 -7.381 6.522 1.00 0.28 C ATOM 113 CG GLU A 27 -2.129 -7.327 7.425 1.00 0.40 C ATOM 114 CD GLU A 27 -1.735 -8.692 7.954 1.00 0.91 C ATOM 115 OE1 GLU A 27 -2.146 -9.705 7.350 1.00 1.66 O ATOM 116 OE2 GLU A 27 -1.014 -8.748 8.973 1.00 1.71 O ATOM 0 H GLU A 27 -6.141 -7.207 5.869 1.00 0.29 H new ATOM 0 HA GLU A 27 -4.550 -8.595 7.888 1.00 0.28 H new ATOM 0 HB2 GLU A 27 -3.181 -8.124 5.742 1.00 0.28 H new ATOM 0 HB3 GLU A 27 -3.465 -6.418 6.025 1.00 0.28 H new ATOM 0 HG2 GLU A 27 -1.292 -6.900 6.873 1.00 0.40 H new ATOM 0 HG3 GLU A 27 -2.331 -6.661 8.264 1.00 0.40 H new ATOM 123 N MET A 28 -4.380 -6.542 9.331 1.00 0.25 N ATOM 124 CA MET A 28 -4.535 -5.471 10.304 1.00 0.24 C ATOM 125 C MET A 28 -3.163 -5.144 10.861 1.00 0.25 C ATOM 126 O MET A 28 -2.439 -6.026 11.323 1.00 0.32 O ATOM 127 CB MET A 28 -5.476 -5.859 11.433 1.00 0.28 C ATOM 128 CG MET A 28 -5.854 -4.695 12.336 1.00 0.99 C ATOM 129 SD MET A 28 -6.836 -5.208 13.759 1.00 0.99 S ATOM 130 CE MET A 28 -5.600 -6.062 14.734 1.00 1.86 C ATOM 0 H MET A 28 -3.749 -7.285 9.632 1.00 0.25 H new ATOM 0 HA MET A 28 -4.974 -4.604 9.810 1.00 0.24 H new ATOM 0 HB2 MET A 28 -6.383 -6.288 11.008 1.00 0.28 H new ATOM 0 HB3 MET A 28 -5.007 -6.638 12.035 1.00 0.28 H new ATOM 0 HG2 MET A 28 -4.947 -4.202 12.685 1.00 0.99 H new ATOM 0 HG3 MET A 28 -6.415 -3.960 11.759 1.00 0.99 H new ATOM 0 HE1 MET A 28 -5.957 -6.172 15.758 1.00 1.86 H new ATOM 0 HE2 MET A 28 -5.416 -7.047 14.306 1.00 1.86 H new ATOM 0 HE3 MET A 28 -4.674 -5.487 14.733 1.00 1.86 H new ATOM 140 N ILE A 29 -2.797 -3.887 10.771 1.00 0.22 N ATOM 141 CA ILE A 29 -1.485 -3.443 11.221 1.00 0.24 C ATOM 142 C ILE A 29 -1.567 -2.223 12.139 1.00 0.20 C ATOM 143 O ILE A 29 -2.322 -1.287 11.878 1.00 0.20 O ATOM 144 CB ILE A 29 -0.584 -3.126 10.011 1.00 0.30 C ATOM 145 CG1 ILE A 29 -0.592 -4.310 9.042 1.00 0.36 C ATOM 146 CG2 ILE A 29 0.833 -2.798 10.461 1.00 0.35 C ATOM 147 CD1 ILE A 29 -1.761 -4.276 8.096 1.00 0.39 C ATOM 0 H ILE A 29 -3.386 -3.147 10.390 1.00 0.22 H new ATOM 0 HA ILE A 29 -1.052 -4.260 11.798 1.00 0.24 H new ATOM 0 HB ILE A 29 -0.976 -2.248 9.497 1.00 0.30 H new ATOM 0 HG12 ILE A 29 0.335 -4.311 8.468 1.00 0.36 H new ATOM 0 HG13 ILE A 29 -0.616 -5.240 9.610 1.00 0.36 H new ATOM 0 HG21 ILE A 29 1.450 -2.578 9.590 1.00 0.35 H new ATOM 0 HG22 ILE A 29 0.814 -1.930 11.120 1.00 0.35 H new ATOM 0 HG23 ILE A 29 1.252 -3.651 10.996 1.00 0.35 H new ATOM 0 HD11 ILE A 29 -1.717 -5.139 7.432 1.00 0.39 H new ATOM 0 HD12 ILE A 29 -2.690 -4.303 8.665 1.00 0.39 H new ATOM 0 HD13 ILE A 29 -1.724 -3.361 7.505 1.00 0.39 H new ATOM 159 N GLU A 30 -0.775 -2.240 13.211 1.00 0.21 N ATOM 160 CA GLU A 30 -0.748 -1.131 14.164 1.00 0.20 C ATOM 161 C GLU A 30 0.696 -0.758 14.497 1.00 0.23 C ATOM 162 O GLU A 30 1.496 -1.619 14.862 1.00 0.28 O ATOM 163 CB GLU A 30 -1.490 -1.517 15.446 1.00 0.25 C ATOM 164 CG GLU A 30 -2.878 -2.092 15.204 1.00 0.28 C ATOM 165 CD GLU A 30 -3.588 -2.464 16.492 1.00 0.34 C ATOM 166 OE1 GLU A 30 -2.934 -2.454 17.556 1.00 1.08 O ATOM 167 OE2 GLU A 30 -4.799 -2.762 16.436 1.00 1.19 O ATOM 0 H GLU A 30 -0.145 -3.008 13.441 1.00 0.21 H new ATOM 0 HA GLU A 30 -1.243 -0.272 13.711 1.00 0.20 H new ATOM 0 HB2 GLU A 30 -0.895 -2.248 15.993 1.00 0.25 H new ATOM 0 HB3 GLU A 30 -1.578 -0.637 16.083 1.00 0.25 H new ATOM 0 HG2 GLU A 30 -3.479 -1.364 14.659 1.00 0.28 H new ATOM 0 HG3 GLU A 30 -2.796 -2.975 14.570 1.00 0.28 H new ATOM 174 N LYS A 31 1.033 0.524 14.362 1.00 0.22 N ATOM 175 CA LYS A 31 2.388 0.984 14.643 1.00 0.26 C ATOM 176 C LYS A 31 2.366 2.363 15.305 1.00 0.26 C ATOM 177 O LYS A 31 1.363 3.072 15.238 1.00 0.25 O ATOM 178 CB LYS A 31 3.202 1.003 13.350 1.00 0.28 C ATOM 179 CG LYS A 31 4.699 1.160 13.558 1.00 1.11 C ATOM 180 CD LYS A 31 5.299 -0.091 14.181 1.00 1.10 C ATOM 181 CE LYS A 31 6.818 -0.059 14.160 1.00 2.10 C ATOM 182 NZ LYS A 31 7.372 -0.801 12.994 1.00 2.52 N ATOM 0 H LYS A 31 0.390 1.256 14.062 1.00 0.22 H new ATOM 0 HA LYS A 31 2.862 0.294 15.342 1.00 0.26 H new ATOM 0 HB2 LYS A 31 3.018 0.078 12.804 1.00 0.28 H new ATOM 0 HB3 LYS A 31 2.846 1.820 12.722 1.00 0.28 H new ATOM 0 HG2 LYS A 31 5.183 1.362 12.602 1.00 1.11 H new ATOM 0 HG3 LYS A 31 4.892 2.019 14.201 1.00 1.11 H new ATOM 0 HD2 LYS A 31 4.952 -0.187 15.210 1.00 1.10 H new ATOM 0 HD3 LYS A 31 4.946 -0.970 13.642 1.00 1.10 H new ATOM 0 HE2 LYS A 31 7.159 0.976 14.127 1.00 2.10 H new ATOM 0 HE3 LYS A 31 7.203 -0.493 15.083 1.00 2.10 H new ATOM 0 HZ1 LYS A 31 8.393 -0.946 13.128 1.00 2.52 H new ATOM 0 HZ2 LYS A 31 6.899 -1.724 12.913 1.00 2.52 H new ATOM 0 HZ3 LYS A 31 7.212 -0.252 12.125 1.00 2.52 H new ATOM 196 N ALA A 32 3.466 2.735 15.954 1.00 0.29 N ATOM 197 CA ALA A 32 3.554 4.024 16.637 1.00 0.32 C ATOM 198 C ALA A 32 3.754 5.183 15.661 1.00 0.29 C ATOM 199 O ALA A 32 4.491 5.070 14.683 1.00 0.28 O ATOM 200 CB ALA A 32 4.680 3.995 17.660 1.00 0.39 C ATOM 0 H ALA A 32 4.308 2.164 16.022 1.00 0.29 H new ATOM 0 HA ALA A 32 2.604 4.191 17.145 1.00 0.32 H new ATOM 0 HB1 ALA A 32 4.738 4.960 18.164 1.00 0.39 H new ATOM 0 HB2 ALA A 32 4.485 3.213 18.394 1.00 0.39 H new ATOM 0 HB3 ALA A 32 5.625 3.791 17.156 1.00 0.39 H new ATOM 206 N LYS A 33 3.085 6.302 15.943 1.00 0.30 N ATOM 207 CA LYS A 33 3.178 7.497 15.105 1.00 0.31 C ATOM 208 C LYS A 33 4.629 7.830 14.768 1.00 0.30 C ATOM 209 O LYS A 33 5.492 7.853 15.645 1.00 0.38 O ATOM 210 CB LYS A 33 2.530 8.694 15.806 1.00 0.37 C ATOM 211 CG LYS A 33 2.423 9.929 14.924 1.00 0.97 C ATOM 212 CD LYS A 33 1.822 11.105 15.682 1.00 1.12 C ATOM 213 CE LYS A 33 1.483 12.267 14.757 1.00 1.91 C ATOM 214 NZ LYS A 33 2.644 12.694 13.924 1.00 2.35 N ATOM 0 H LYS A 33 2.470 6.405 16.750 1.00 0.30 H new ATOM 0 HA LYS A 33 2.647 7.287 14.177 1.00 0.31 H new ATOM 0 HB2 LYS A 33 1.533 8.411 16.144 1.00 0.37 H new ATOM 0 HB3 LYS A 33 3.110 8.942 16.695 1.00 0.37 H new ATOM 0 HG2 LYS A 33 3.412 10.200 14.554 1.00 0.97 H new ATOM 0 HG3 LYS A 33 1.808 9.703 14.053 1.00 0.97 H new ATOM 0 HD2 LYS A 33 0.920 10.779 16.200 1.00 1.12 H new ATOM 0 HD3 LYS A 33 2.524 11.442 16.445 1.00 1.12 H new ATOM 0 HE2 LYS A 33 0.659 11.979 14.105 1.00 1.91 H new ATOM 0 HE3 LYS A 33 1.137 13.112 15.353 1.00 1.91 H new ATOM 0 HZ1 LYS A 33 2.360 13.487 13.313 1.00 2.35 H new ATOM 0 HZ2 LYS A 33 3.423 12.996 14.543 1.00 2.35 H new ATOM 0 HZ3 LYS A 33 2.959 11.898 13.334 1.00 2.35 H new ATOM 228 N GLY A 34 4.885 8.090 13.492 1.00 0.28 N ATOM 229 CA GLY A 34 6.226 8.425 13.051 1.00 0.30 C ATOM 230 C GLY A 34 7.034 7.205 12.659 1.00 0.29 C ATOM 231 O GLY A 34 8.009 7.311 11.915 1.00 0.31 O ATOM 0 H GLY A 34 4.184 8.075 12.751 1.00 0.28 H new ATOM 0 HA2 GLY A 34 6.165 9.104 12.201 1.00 0.30 H new ATOM 0 HA3 GLY A 34 6.744 8.958 13.848 1.00 0.30 H new ATOM 235 N GLU A 35 6.618 6.040 13.135 1.00 0.30 N ATOM 236 CA GLU A 35 7.299 4.804 12.795 1.00 0.31 C ATOM 237 C GLU A 35 6.844 4.359 11.419 1.00 0.27 C ATOM 238 O GLU A 35 5.772 4.756 10.964 1.00 0.24 O ATOM 239 CB GLU A 35 6.997 3.719 13.827 1.00 0.36 C ATOM 240 CG GLU A 35 7.626 3.986 15.185 1.00 0.43 C ATOM 241 CD GLU A 35 7.318 2.901 16.199 1.00 1.30 C ATOM 242 OE1 GLU A 35 6.459 2.042 15.909 1.00 2.00 O ATOM 243 OE2 GLU A 35 7.932 2.914 17.286 1.00 2.11 O ATOM 0 H GLU A 35 5.816 5.927 13.755 1.00 0.30 H new ATOM 0 HA GLU A 35 8.376 4.974 12.793 1.00 0.31 H new ATOM 0 HB2 GLU A 35 5.917 3.631 13.946 1.00 0.36 H new ATOM 0 HB3 GLU A 35 7.355 2.761 13.451 1.00 0.36 H new ATOM 0 HG2 GLU A 35 8.706 4.073 15.069 1.00 0.43 H new ATOM 0 HG3 GLU A 35 7.268 4.943 15.564 1.00 0.43 H new ATOM 250 N THR A 36 7.641 3.546 10.747 1.00 0.29 N ATOM 251 CA THR A 36 7.261 3.088 9.425 1.00 0.26 C ATOM 252 C THR A 36 6.409 1.823 9.515 1.00 0.25 C ATOM 253 O THR A 36 6.808 0.843 10.145 1.00 0.27 O ATOM 254 CB THR A 36 8.491 2.818 8.557 1.00 0.29 C ATOM 255 OG1 THR A 36 9.362 3.939 8.541 1.00 0.33 O ATOM 256 CG2 THR A 36 8.131 2.489 7.123 1.00 0.28 C ATOM 0 H THR A 36 8.537 3.196 11.087 1.00 0.29 H new ATOM 0 HA THR A 36 6.675 3.881 8.961 1.00 0.26 H new ATOM 0 HB THR A 36 8.984 1.956 9.006 1.00 0.29 H new ATOM 0 HG1 THR A 36 10.141 3.740 7.981 1.00 0.33 H new ATOM 0 HG21 THR A 36 9.041 2.306 6.552 1.00 0.28 H new ATOM 0 HG22 THR A 36 7.504 1.598 7.101 1.00 0.28 H new ATOM 0 HG23 THR A 36 7.588 3.326 6.683 1.00 0.28 H new ATOM 264 N ALA A 37 5.239 1.840 8.879 1.00 0.24 N ATOM 265 CA ALA A 37 4.351 0.680 8.893 1.00 0.24 C ATOM 266 C ALA A 37 4.497 -0.114 7.604 1.00 0.23 C ATOM 267 O ALA A 37 4.188 0.380 6.521 1.00 0.22 O ATOM 268 CB ALA A 37 2.906 1.112 9.090 1.00 0.26 C ATOM 0 H ALA A 37 4.886 2.638 8.351 1.00 0.24 H new ATOM 0 HA ALA A 37 4.634 0.041 9.729 1.00 0.24 H new ATOM 0 HB1 ALA A 37 2.261 0.233 9.097 1.00 0.26 H new ATOM 0 HB2 ALA A 37 2.810 1.640 10.039 1.00 0.26 H new ATOM 0 HB3 ALA A 37 2.609 1.773 8.275 1.00 0.26 H new ATOM 274 N TYR A 38 4.986 -1.340 7.728 1.00 0.25 N ATOM 275 CA TYR A 38 5.198 -2.199 6.572 1.00 0.26 C ATOM 276 C TYR A 38 3.907 -2.855 6.091 1.00 0.25 C ATOM 277 O TYR A 38 3.329 -3.693 6.784 1.00 0.29 O ATOM 278 CB TYR A 38 6.228 -3.276 6.914 1.00 0.29 C ATOM 279 CG TYR A 38 6.521 -4.223 5.773 1.00 0.40 C ATOM 280 CD1 TYR A 38 7.173 -3.777 4.635 1.00 1.19 C ATOM 281 CD2 TYR A 38 6.145 -5.559 5.835 1.00 1.34 C ATOM 282 CE1 TYR A 38 7.447 -4.634 3.588 1.00 1.25 C ATOM 283 CE2 TYR A 38 6.415 -6.424 4.792 1.00 1.43 C ATOM 284 CZ TYR A 38 7.066 -5.957 3.670 1.00 0.74 C ATOM 285 OH TYR A 38 7.337 -6.818 2.628 1.00 0.92 O ATOM 0 H TYR A 38 5.244 -1.763 8.620 1.00 0.25 H new ATOM 0 HA TYR A 38 5.565 -1.571 5.761 1.00 0.26 H new ATOM 0 HB2 TYR A 38 7.156 -2.794 7.221 1.00 0.29 H new ATOM 0 HB3 TYR A 38 5.869 -3.851 7.768 1.00 0.29 H new ATOM 0 HD1 TYR A 38 7.472 -2.742 4.566 1.00 1.19 H new ATOM 0 HD2 TYR A 38 5.634 -5.927 6.712 1.00 1.34 H new ATOM 0 HE1 TYR A 38 7.957 -4.270 2.709 1.00 1.25 H new ATOM 0 HE2 TYR A 38 6.118 -7.460 4.855 1.00 1.43 H new ATOM 0 HH TYR A 38 7.340 -6.320 1.784 1.00 0.92 H new ATOM 295 N LEU A 39 3.486 -2.502 4.880 1.00 0.24 N ATOM 296 CA LEU A 39 2.296 -3.094 4.284 1.00 0.24 C ATOM 297 C LEU A 39 2.732 -4.175 3.297 1.00 0.23 C ATOM 298 O LEU A 39 3.323 -3.870 2.261 1.00 0.21 O ATOM 299 CB LEU A 39 1.456 -2.028 3.576 1.00 0.24 C ATOM 300 CG LEU A 39 1.215 -0.746 4.379 1.00 0.28 C ATOM 301 CD1 LEU A 39 0.280 0.190 3.625 1.00 0.80 C ATOM 302 CD2 LEU A 39 0.650 -1.071 5.756 1.00 0.80 C ATOM 0 H LEU A 39 3.952 -1.809 4.294 1.00 0.24 H new ATOM 0 HA LEU A 39 1.677 -3.535 5.066 1.00 0.24 H new ATOM 0 HB2 LEU A 39 1.948 -1.764 2.640 1.00 0.24 H new ATOM 0 HB3 LEU A 39 0.490 -2.462 3.317 1.00 0.24 H new ATOM 0 HG LEU A 39 2.172 -0.242 4.513 1.00 0.28 H new ATOM 0 HD11 LEU A 39 0.121 1.095 4.211 1.00 0.80 H new ATOM 0 HD12 LEU A 39 0.725 0.453 2.665 1.00 0.80 H new ATOM 0 HD13 LEU A 39 -0.676 -0.307 3.458 1.00 0.80 H new ATOM 0 HD21 LEU A 39 0.486 -0.146 6.310 1.00 0.80 H new ATOM 0 HD22 LEU A 39 -0.297 -1.600 5.645 1.00 0.80 H new ATOM 0 HD23 LEU A 39 1.355 -1.699 6.300 1.00 0.80 H new ATOM 314 N PRO A 40 2.494 -5.457 3.622 1.00 0.25 N ATOM 315 CA PRO A 40 2.919 -6.571 2.775 1.00 0.24 C ATOM 316 C PRO A 40 1.947 -6.938 1.658 1.00 0.27 C ATOM 317 O PRO A 40 0.778 -7.242 1.897 1.00 0.31 O ATOM 318 CB PRO A 40 3.033 -7.717 3.775 1.00 0.26 C ATOM 319 CG PRO A 40 1.987 -7.429 4.798 1.00 0.42 C ATOM 320 CD PRO A 40 1.845 -5.927 4.861 1.00 0.27 C ATOM 0 HA PRO A 40 3.834 -6.324 2.236 1.00 0.24 H new ATOM 0 HB2 PRO A 40 2.863 -8.681 3.295 1.00 0.26 H new ATOM 0 HB3 PRO A 40 4.026 -7.755 4.223 1.00 0.26 H new ATOM 0 HG2 PRO A 40 1.041 -7.896 4.526 1.00 0.42 H new ATOM 0 HG3 PRO A 40 2.274 -7.832 5.769 1.00 0.42 H new ATOM 0 HD2 PRO A 40 0.798 -5.626 4.903 1.00 0.27 H new ATOM 0 HD3 PRO A 40 2.330 -5.517 5.747 1.00 0.27 H new ATOM 328 N CYS A 41 2.476 -6.949 0.440 1.00 0.26 N ATOM 329 CA CYS A 41 1.725 -7.323 -0.747 1.00 0.30 C ATOM 330 C CYS A 41 2.636 -8.124 -1.661 1.00 0.28 C ATOM 331 O CYS A 41 3.699 -7.644 -2.057 1.00 0.35 O ATOM 332 CB CYS A 41 1.207 -6.093 -1.489 1.00 0.35 C ATOM 333 SG CYS A 41 -0.556 -6.187 -1.931 1.00 1.03 S ATOM 0 H CYS A 41 3.446 -6.696 0.250 1.00 0.26 H new ATOM 0 HA CYS A 41 0.862 -7.917 -0.446 1.00 0.30 H new ATOM 0 HB2 CYS A 41 1.370 -5.211 -0.869 1.00 0.35 H new ATOM 0 HB3 CYS A 41 1.793 -5.956 -2.398 1.00 0.35 H new ATOM 338 N LYS A 42 2.239 -9.340 -1.989 1.00 0.29 N ATOM 339 CA LYS A 42 3.061 -10.176 -2.850 1.00 0.28 C ATOM 340 C LYS A 42 2.213 -10.976 -3.824 1.00 0.32 C ATOM 341 O LYS A 42 1.421 -11.832 -3.431 1.00 0.59 O ATOM 342 CB LYS A 42 3.930 -11.101 -2.002 1.00 0.30 C ATOM 343 CG LYS A 42 4.972 -11.863 -2.799 1.00 0.46 C ATOM 344 CD LYS A 42 5.987 -12.513 -1.880 1.00 0.46 C ATOM 345 CE LYS A 42 6.892 -13.476 -2.633 1.00 1.21 C ATOM 346 NZ LYS A 42 6.412 -14.882 -2.534 1.00 1.66 N ATOM 0 H LYS A 42 1.366 -9.767 -1.679 1.00 0.29 H new ATOM 0 HA LYS A 42 3.707 -9.526 -3.440 1.00 0.28 H new ATOM 0 HB2 LYS A 42 4.432 -10.511 -1.236 1.00 0.30 H new ATOM 0 HB3 LYS A 42 3.288 -11.814 -1.485 1.00 0.30 H new ATOM 0 HG2 LYS A 42 4.485 -12.626 -3.407 1.00 0.46 H new ATOM 0 HG3 LYS A 42 5.479 -11.184 -3.485 1.00 0.46 H new ATOM 0 HD2 LYS A 42 6.592 -11.742 -1.403 1.00 0.46 H new ATOM 0 HD3 LYS A 42 5.468 -13.048 -1.085 1.00 0.46 H new ATOM 0 HE2 LYS A 42 6.942 -13.182 -3.682 1.00 1.21 H new ATOM 0 HE3 LYS A 42 7.904 -13.409 -2.235 1.00 1.21 H new ATOM 0 HZ1 LYS A 42 7.056 -15.507 -3.060 1.00 1.66 H new ATOM 0 HZ2 LYS A 42 6.388 -15.171 -1.535 1.00 1.66 H new ATOM 0 HZ3 LYS A 42 5.456 -14.952 -2.937 1.00 1.66 H new ATOM 360 N PHE A 43 2.400 -10.682 -5.101 1.00 0.37 N ATOM 361 CA PHE A 43 1.674 -11.353 -6.167 1.00 0.39 C ATOM 362 C PHE A 43 2.475 -12.526 -6.720 1.00 0.34 C ATOM 363 O PHE A 43 3.693 -12.438 -6.879 1.00 0.34 O ATOM 364 CB PHE A 43 1.341 -10.356 -7.274 1.00 0.43 C ATOM 365 CG PHE A 43 2.530 -9.576 -7.761 1.00 0.40 C ATOM 366 CD1 PHE A 43 2.969 -8.444 -7.081 1.00 1.23 C ATOM 367 CD2 PHE A 43 3.213 -9.976 -8.898 1.00 1.25 C ATOM 368 CE1 PHE A 43 4.064 -7.732 -7.530 1.00 1.23 C ATOM 369 CE2 PHE A 43 4.308 -9.267 -9.350 1.00 1.26 C ATOM 370 CZ PHE A 43 4.733 -8.145 -8.666 1.00 0.43 C ATOM 0 H PHE A 43 3.057 -9.974 -5.427 1.00 0.37 H new ATOM 0 HA PHE A 43 0.745 -11.750 -5.758 1.00 0.39 H new ATOM 0 HB2 PHE A 43 0.901 -10.893 -8.114 1.00 0.43 H new ATOM 0 HB3 PHE A 43 0.585 -9.660 -6.909 1.00 0.43 H new ATOM 0 HD1 PHE A 43 2.448 -8.119 -6.193 1.00 1.23 H new ATOM 0 HD2 PHE A 43 2.885 -10.853 -9.437 1.00 1.25 H new ATOM 0 HE1 PHE A 43 4.396 -6.855 -6.995 1.00 1.23 H new ATOM 0 HE2 PHE A 43 4.832 -9.589 -10.238 1.00 1.26 H new ATOM 0 HZ PHE A 43 5.589 -7.590 -9.020 1.00 0.43 H new ATOM 380 N THR A 44 1.788 -13.626 -7.009 1.00 0.37 N ATOM 381 CA THR A 44 2.446 -14.815 -7.541 1.00 0.39 C ATOM 382 C THR A 44 2.699 -14.677 -9.039 1.00 0.46 C ATOM 383 O THR A 44 1.876 -14.130 -9.772 1.00 0.68 O ATOM 384 CB THR A 44 1.606 -16.060 -7.272 1.00 0.51 C ATOM 385 OG1 THR A 44 0.711 -15.838 -6.197 1.00 1.30 O ATOM 386 CG2 THR A 44 2.438 -17.278 -6.931 1.00 1.33 C ATOM 0 H THR A 44 0.780 -13.720 -6.885 1.00 0.37 H new ATOM 0 HA THR A 44 3.406 -14.917 -7.034 1.00 0.39 H new ATOM 0 HB THR A 44 1.068 -16.253 -8.200 1.00 0.51 H new ATOM 0 HG1 THR A 44 -0.075 -15.350 -6.521 1.00 1.30 H new ATOM 0 HG21 THR A 44 1.781 -18.129 -6.751 1.00 1.33 H new ATOM 0 HG22 THR A 44 3.107 -17.505 -7.761 1.00 1.33 H new ATOM 0 HG23 THR A 44 3.026 -17.078 -6.035 1.00 1.33 H new ATOM 394 N LEU A 45 3.846 -15.176 -9.481 1.00 0.59 N ATOM 395 CA LEU A 45 4.221 -15.111 -10.890 1.00 0.77 C ATOM 396 C LEU A 45 3.903 -16.416 -11.615 1.00 0.76 C ATOM 397 O LEU A 45 4.115 -17.505 -11.083 1.00 0.85 O ATOM 398 CB LEU A 45 5.710 -14.789 -11.030 1.00 1.07 C ATOM 399 CG LEU A 45 6.115 -13.387 -10.571 1.00 1.55 C ATOM 400 CD1 LEU A 45 7.631 -13.240 -10.571 1.00 2.09 C ATOM 401 CD2 LEU A 45 5.471 -12.331 -11.459 1.00 2.12 C ATOM 0 H LEU A 45 4.535 -15.632 -8.883 1.00 0.59 H new ATOM 0 HA LEU A 45 3.635 -14.316 -11.350 1.00 0.77 H new ATOM 0 HB2 LEU A 45 6.280 -15.521 -10.458 1.00 1.07 H new ATOM 0 HB3 LEU A 45 5.996 -14.909 -12.075 1.00 1.07 H new ATOM 0 HG LEU A 45 5.760 -13.241 -9.551 1.00 1.55 H new ATOM 0 HD11 LEU A 45 7.899 -12.236 -10.242 1.00 2.09 H new ATOM 0 HD12 LEU A 45 8.068 -13.973 -9.893 1.00 2.09 H new ATOM 0 HD13 LEU A 45 8.013 -13.405 -11.579 1.00 2.09 H new ATOM 0 HD21 LEU A 45 5.769 -11.339 -11.119 1.00 2.12 H new ATOM 0 HD22 LEU A 45 5.796 -12.475 -12.489 1.00 2.12 H new ATOM 0 HD23 LEU A 45 4.386 -12.422 -11.405 1.00 2.12 H new ATOM 413 N SER A 46 3.402 -16.291 -12.840 1.00 0.97 N ATOM 414 CA SER A 46 3.062 -17.445 -13.660 1.00 1.09 C ATOM 415 C SER A 46 2.995 -17.038 -15.129 1.00 0.93 C ATOM 416 O SER A 46 2.600 -15.921 -15.451 1.00 0.74 O ATOM 417 CB SER A 46 1.724 -18.040 -13.216 1.00 1.24 C ATOM 418 OG SER A 46 0.652 -17.159 -13.502 1.00 1.75 O ATOM 0 H SER A 46 3.222 -15.393 -13.288 1.00 0.97 H new ATOM 0 HA SER A 46 3.836 -18.203 -13.536 1.00 1.09 H new ATOM 0 HB2 SER A 46 1.561 -18.992 -13.721 1.00 1.24 H new ATOM 0 HB3 SER A 46 1.752 -18.248 -12.146 1.00 1.24 H new ATOM 0 HG SER A 46 0.975 -16.234 -13.485 1.00 1.75 H new ATOM 424 N PRO A 47 3.383 -17.935 -16.046 1.00 1.10 N ATOM 425 CA PRO A 47 3.365 -17.645 -17.482 1.00 1.09 C ATOM 426 C PRO A 47 2.045 -17.039 -17.954 1.00 0.86 C ATOM 427 O PRO A 47 1.992 -16.392 -19.000 1.00 0.84 O ATOM 428 CB PRO A 47 3.578 -19.018 -18.118 1.00 1.35 C ATOM 429 CG PRO A 47 4.349 -19.787 -17.102 1.00 1.61 C ATOM 430 CD PRO A 47 3.875 -19.296 -15.760 1.00 1.38 C ATOM 0 HA PRO A 47 4.119 -16.905 -17.752 1.00 1.09 H new ATOM 0 HB2 PRO A 47 2.628 -19.502 -18.344 1.00 1.35 H new ATOM 0 HB3 PRO A 47 4.127 -18.939 -19.056 1.00 1.35 H new ATOM 0 HG2 PRO A 47 4.175 -20.858 -17.209 1.00 1.61 H new ATOM 0 HG3 PRO A 47 5.420 -19.625 -17.220 1.00 1.61 H new ATOM 0 HD2 PRO A 47 3.087 -19.931 -15.356 1.00 1.38 H new ATOM 0 HD3 PRO A 47 4.683 -19.285 -15.028 1.00 1.38 H new ATOM 438 N GLU A 48 0.979 -17.252 -17.186 1.00 0.80 N ATOM 439 CA GLU A 48 -0.327 -16.728 -17.542 1.00 0.71 C ATOM 440 C GLU A 48 -0.393 -15.229 -17.339 1.00 0.59 C ATOM 441 O GLU A 48 -0.974 -14.518 -18.156 1.00 0.55 O ATOM 442 CB GLU A 48 -1.421 -17.420 -16.725 1.00 0.88 C ATOM 443 CG GLU A 48 -2.825 -16.926 -17.039 1.00 1.24 C ATOM 444 CD GLU A 48 -3.889 -17.627 -16.216 1.00 1.51 C ATOM 445 OE1 GLU A 48 -3.557 -18.625 -15.541 1.00 1.78 O ATOM 446 OE2 GLU A 48 -5.054 -17.179 -16.247 1.00 2.18 O ATOM 0 H GLU A 48 0.999 -17.783 -16.316 1.00 0.80 H new ATOM 0 HA GLU A 48 -0.491 -16.933 -18.600 1.00 0.71 H new ATOM 0 HB2 GLU A 48 -1.374 -18.494 -16.908 1.00 0.88 H new ATOM 0 HB3 GLU A 48 -1.221 -17.268 -15.664 1.00 0.88 H new ATOM 0 HG2 GLU A 48 -2.878 -15.853 -16.856 1.00 1.24 H new ATOM 0 HG3 GLU A 48 -3.031 -17.079 -18.098 1.00 1.24 H new ATOM 453 N ASP A 49 0.203 -14.743 -16.256 1.00 0.60 N ATOM 454 CA ASP A 49 0.180 -13.317 -15.993 1.00 0.52 C ATOM 455 C ASP A 49 1.051 -12.586 -17.000 1.00 0.52 C ATOM 456 O ASP A 49 2.195 -12.228 -16.720 1.00 0.62 O ATOM 457 CB ASP A 49 0.612 -12.993 -14.564 1.00 0.61 C ATOM 458 CG ASP A 49 1.895 -13.680 -14.153 1.00 1.62 C ATOM 459 OD1 ASP A 49 2.886 -13.598 -14.907 1.00 2.41 O ATOM 460 OD2 ASP A 49 1.910 -14.297 -13.068 1.00 2.27 O ATOM 0 H ASP A 49 0.697 -15.304 -15.562 1.00 0.60 H new ATOM 0 HA ASP A 49 -0.849 -12.975 -16.101 1.00 0.52 H new ATOM 0 HB2 ASP A 49 0.739 -11.915 -14.467 1.00 0.61 H new ATOM 0 HB3 ASP A 49 -0.183 -13.284 -13.877 1.00 0.61 H new ATOM 465 N GLN A 50 0.500 -12.394 -18.188 1.00 0.51 N ATOM 466 CA GLN A 50 1.215 -11.740 -19.269 1.00 0.63 C ATOM 467 C GLN A 50 0.992 -10.226 -19.265 1.00 0.58 C ATOM 468 O GLN A 50 1.664 -9.497 -19.995 1.00 0.69 O ATOM 469 CB GLN A 50 0.765 -12.337 -20.602 1.00 0.79 C ATOM 470 CG GLN A 50 1.027 -13.835 -20.714 1.00 0.81 C ATOM 471 CD GLN A 50 0.573 -14.406 -22.043 1.00 1.12 C ATOM 472 OE1 GLN A 50 -0.438 -13.981 -22.601 1.00 1.44 O ATOM 473 NE2 GLN A 50 1.320 -15.377 -22.555 1.00 1.64 N ATOM 0 H GLN A 50 -0.448 -12.685 -18.428 1.00 0.51 H new ATOM 0 HA GLN A 50 2.282 -11.910 -19.126 1.00 0.63 H new ATOM 0 HB2 GLN A 50 -0.301 -12.151 -20.733 1.00 0.79 H new ATOM 0 HB3 GLN A 50 1.280 -11.824 -21.414 1.00 0.79 H new ATOM 0 HG2 GLN A 50 2.093 -14.025 -20.586 1.00 0.81 H new ATOM 0 HG3 GLN A 50 0.511 -14.352 -19.905 1.00 0.81 H new ATOM 0 HE21 GLN A 50 2.150 -15.698 -22.057 1.00 1.64 H new ATOM 0 HE22 GLN A 50 1.063 -15.802 -23.446 1.00 1.64 H new ATOM 482 N GLY A 51 0.051 -9.751 -18.449 1.00 0.47 N ATOM 483 CA GLY A 51 -0.219 -8.324 -18.393 1.00 0.49 C ATOM 484 C GLY A 51 0.785 -7.564 -17.547 1.00 0.52 C ATOM 485 O GLY A 51 1.387 -8.132 -16.636 1.00 0.55 O ATOM 0 H GLY A 51 -0.524 -10.324 -17.831 1.00 0.47 H new ATOM 0 HA2 GLY A 51 -0.214 -7.919 -19.405 1.00 0.49 H new ATOM 0 HA3 GLY A 51 -1.219 -8.165 -17.991 1.00 0.49 H new ATOM 489 N PRO A 52 0.981 -6.262 -17.821 1.00 0.58 N ATOM 490 CA PRO A 52 1.917 -5.430 -17.061 1.00 0.66 C ATOM 491 C PRO A 52 1.633 -5.485 -15.566 1.00 0.64 C ATOM 492 O PRO A 52 0.504 -5.744 -15.149 1.00 0.68 O ATOM 493 CB PRO A 52 1.668 -4.019 -17.601 1.00 0.71 C ATOM 494 CG PRO A 52 1.094 -4.226 -18.959 1.00 0.85 C ATOM 495 CD PRO A 52 0.299 -5.499 -18.883 1.00 0.63 C ATOM 0 HA PRO A 52 2.949 -5.762 -17.176 1.00 0.66 H new ATOM 0 HB2 PRO A 52 0.980 -3.466 -16.961 1.00 0.71 H new ATOM 0 HB3 PRO A 52 2.593 -3.444 -17.646 1.00 0.71 H new ATOM 0 HG2 PRO A 52 0.461 -3.387 -19.247 1.00 0.85 H new ATOM 0 HG3 PRO A 52 1.882 -4.302 -19.708 1.00 0.85 H new ATOM 0 HD2 PRO A 52 -0.745 -5.307 -18.634 1.00 0.63 H new ATOM 0 HD3 PRO A 52 0.307 -6.035 -19.832 1.00 0.63 H new ATOM 503 N LEU A 53 2.661 -5.250 -14.761 1.00 0.65 N ATOM 504 CA LEU A 53 2.511 -5.285 -13.312 1.00 0.67 C ATOM 505 C LEU A 53 1.861 -4.012 -12.792 1.00 0.57 C ATOM 506 O LEU A 53 2.279 -2.906 -13.134 1.00 0.59 O ATOM 507 CB LEU A 53 3.868 -5.459 -12.634 1.00 0.78 C ATOM 508 CG LEU A 53 3.807 -5.619 -11.116 1.00 1.25 C ATOM 509 CD1 LEU A 53 3.007 -6.857 -10.747 1.00 1.90 C ATOM 510 CD2 LEU A 53 5.210 -5.688 -10.532 1.00 1.86 C ATOM 0 H LEU A 53 3.604 -5.034 -15.085 1.00 0.65 H new ATOM 0 HA LEU A 53 1.870 -6.134 -13.075 1.00 0.67 H new ATOM 0 HB2 LEU A 53 4.362 -6.333 -13.058 1.00 0.78 H new ATOM 0 HB3 LEU A 53 4.490 -4.596 -12.870 1.00 0.78 H new ATOM 0 HG LEU A 53 3.305 -4.749 -10.693 1.00 1.25 H new ATOM 0 HD11 LEU A 53 2.972 -6.958 -9.662 1.00 1.90 H new ATOM 0 HD12 LEU A 53 1.993 -6.764 -11.135 1.00 1.90 H new ATOM 0 HD13 LEU A 53 3.481 -7.739 -11.178 1.00 1.90 H new ATOM 0 HD21 LEU A 53 5.148 -5.802 -9.450 1.00 1.86 H new ATOM 0 HD22 LEU A 53 5.740 -6.541 -10.957 1.00 1.86 H new ATOM 0 HD23 LEU A 53 5.749 -4.771 -10.770 1.00 1.86 H new ATOM 522 N ASP A 54 0.851 -4.173 -11.946 1.00 0.67 N ATOM 523 CA ASP A 54 0.168 -3.036 -11.364 1.00 0.61 C ATOM 524 C ASP A 54 -0.146 -3.290 -9.893 1.00 0.71 C ATOM 525 O ASP A 54 -0.361 -4.423 -9.472 1.00 1.24 O ATOM 526 CB ASP A 54 -1.107 -2.714 -12.135 1.00 0.67 C ATOM 527 CG ASP A 54 -0.958 -1.499 -13.028 1.00 1.06 C ATOM 528 OD1 ASP A 54 -0.551 -1.666 -14.196 1.00 1.78 O ATOM 529 OD2 ASP A 54 -1.248 -0.381 -12.556 1.00 1.76 O ATOM 0 H ASP A 54 0.491 -5.081 -11.651 1.00 0.67 H new ATOM 0 HA ASP A 54 0.832 -2.174 -11.430 1.00 0.61 H new ATOM 0 HB2 ASP A 54 -1.387 -3.575 -12.743 1.00 0.67 H new ATOM 0 HB3 ASP A 54 -1.920 -2.544 -11.430 1.00 0.67 H new ATOM 534 N ILE A 55 -0.156 -2.211 -9.134 1.00 0.31 N ATOM 535 CA ILE A 55 -0.435 -2.229 -7.702 1.00 0.33 C ATOM 536 C ILE A 55 -1.246 -0.986 -7.335 1.00 0.27 C ATOM 537 O ILE A 55 -0.925 0.108 -7.795 1.00 0.44 O ATOM 538 CB ILE A 55 0.873 -2.262 -6.882 1.00 0.44 C ATOM 539 CG1 ILE A 55 1.734 -3.461 -7.297 1.00 0.64 C ATOM 540 CG2 ILE A 55 0.570 -2.310 -5.390 1.00 0.52 C ATOM 541 CD1 ILE A 55 3.206 -3.297 -6.977 1.00 0.75 C ATOM 0 H ILE A 55 0.033 -1.277 -9.498 1.00 0.31 H new ATOM 0 HA ILE A 55 -1.003 -3.129 -7.467 1.00 0.33 H new ATOM 0 HB ILE A 55 1.432 -1.349 -7.087 1.00 0.44 H new ATOM 0 HG12 ILE A 55 1.361 -4.355 -6.797 1.00 0.64 H new ATOM 0 HG13 ILE A 55 1.621 -3.624 -8.369 1.00 0.64 H new ATOM 0 HG21 ILE A 55 1.505 -2.333 -4.829 1.00 0.52 H new ATOM 0 HG22 ILE A 55 -0.002 -1.427 -5.106 1.00 0.52 H new ATOM 0 HG23 ILE A 55 -0.010 -3.205 -5.165 1.00 0.52 H new ATOM 0 HD11 ILE A 55 3.750 -4.185 -7.300 1.00 0.75 H new ATOM 0 HD12 ILE A 55 3.596 -2.423 -7.498 1.00 0.75 H new ATOM 0 HD13 ILE A 55 3.332 -3.165 -5.902 1.00 0.75 H new ATOM 553 N GLU A 56 -2.295 -1.139 -6.531 1.00 0.33 N ATOM 554 CA GLU A 56 -3.121 0.010 -6.160 1.00 0.28 C ATOM 555 C GLU A 56 -3.549 -0.034 -4.697 1.00 0.27 C ATOM 556 O GLU A 56 -4.408 -0.829 -4.317 1.00 0.40 O ATOM 557 CB GLU A 56 -4.367 0.063 -7.047 1.00 0.35 C ATOM 558 CG GLU A 56 -4.063 0.116 -8.534 1.00 1.09 C ATOM 559 CD GLU A 56 -5.317 0.168 -9.384 1.00 1.12 C ATOM 560 OE1 GLU A 56 -5.841 -0.910 -9.735 1.00 1.67 O ATOM 561 OE2 GLU A 56 -5.775 1.286 -9.699 1.00 1.46 O ATOM 0 H GLU A 56 -2.591 -2.029 -6.130 1.00 0.33 H new ATOM 0 HA GLU A 56 -2.513 0.903 -6.305 1.00 0.28 H new ATOM 0 HB2 GLU A 56 -4.983 -0.813 -6.843 1.00 0.35 H new ATOM 0 HB3 GLU A 56 -4.957 0.938 -6.776 1.00 0.35 H new ATOM 0 HG2 GLU A 56 -3.449 0.992 -8.745 1.00 1.09 H new ATOM 0 HG3 GLU A 56 -3.476 -0.759 -8.812 1.00 1.09 H new ATOM 568 N TRP A 57 -2.969 0.847 -3.884 1.00 0.19 N ATOM 569 CA TRP A 57 -3.326 0.921 -2.476 1.00 0.19 C ATOM 570 C TRP A 57 -4.397 1.980 -2.241 1.00 0.19 C ATOM 571 O TRP A 57 -4.225 3.140 -2.615 1.00 0.22 O ATOM 572 CB TRP A 57 -2.105 1.224 -1.612 1.00 0.20 C ATOM 573 CG TRP A 57 -1.148 0.069 -1.503 1.00 0.18 C ATOM 574 CD1 TRP A 57 -0.161 -0.282 -2.386 1.00 0.18 C ATOM 575 CD2 TRP A 57 -1.089 -0.888 -0.439 1.00 0.18 C ATOM 576 NE1 TRP A 57 0.499 -1.398 -1.933 1.00 0.17 N ATOM 577 CE2 TRP A 57 -0.048 -1.787 -0.742 1.00 0.17 C ATOM 578 CE3 TRP A 57 -1.814 -1.072 0.742 1.00 0.20 C ATOM 579 CZ2 TRP A 57 0.287 -2.850 0.092 1.00 0.18 C ATOM 580 CZ3 TRP A 57 -1.481 -2.129 1.570 1.00 0.21 C ATOM 581 CH2 TRP A 57 -0.438 -3.005 1.241 1.00 0.20 C ATOM 0 H TRP A 57 -2.255 1.514 -4.177 1.00 0.19 H new ATOM 0 HA TRP A 57 -3.723 -0.053 -2.189 1.00 0.19 H new ATOM 0 HB2 TRP A 57 -1.579 2.084 -2.028 1.00 0.20 H new ATOM 0 HB3 TRP A 57 -2.437 1.506 -0.613 1.00 0.20 H new ATOM 0 HD1 TRP A 57 0.065 0.242 -3.303 1.00 0.18 H new ATOM 0 HE1 TRP A 57 1.273 -1.862 -2.409 1.00 0.17 H new ATOM 0 HE3 TRP A 57 -2.619 -0.401 1.003 1.00 0.20 H new ATOM 0 HZ2 TRP A 57 1.090 -3.527 -0.159 1.00 0.18 H new ATOM 0 HZ3 TRP A 57 -2.034 -2.282 2.485 1.00 0.21 H new ATOM 0 HH2 TRP A 57 -0.202 -3.820 1.909 1.00 0.20 H new ATOM 592 N LEU A 58 -5.488 1.586 -1.601 1.00 0.21 N ATOM 593 CA LEU A 58 -6.568 2.515 -1.292 1.00 0.22 C ATOM 594 C LEU A 58 -6.578 2.777 0.205 1.00 0.23 C ATOM 595 O LEU A 58 -6.327 1.868 0.990 1.00 0.34 O ATOM 596 CB LEU A 58 -7.917 1.952 -1.742 1.00 0.25 C ATOM 597 CG LEU A 58 -8.030 1.664 -3.241 1.00 0.33 C ATOM 598 CD1 LEU A 58 -9.395 1.079 -3.569 1.00 0.39 C ATOM 599 CD2 LEU A 58 -7.783 2.930 -4.049 1.00 0.41 C ATOM 0 H LEU A 58 -5.650 0.630 -1.285 1.00 0.21 H new ATOM 0 HA LEU A 58 -6.402 3.449 -1.829 1.00 0.22 H new ATOM 0 HB2 LEU A 58 -8.110 1.029 -1.195 1.00 0.25 H new ATOM 0 HB3 LEU A 58 -8.700 2.658 -1.463 1.00 0.25 H new ATOM 0 HG LEU A 58 -7.268 0.932 -3.509 1.00 0.33 H new ATOM 0 HD11 LEU A 58 -9.458 0.880 -4.639 1.00 0.39 H new ATOM 0 HD12 LEU A 58 -9.534 0.149 -3.018 1.00 0.39 H new ATOM 0 HD13 LEU A 58 -10.173 1.788 -3.285 1.00 0.39 H new ATOM 0 HD21 LEU A 58 -7.868 2.705 -5.112 1.00 0.41 H new ATOM 0 HD22 LEU A 58 -8.521 3.685 -3.778 1.00 0.41 H new ATOM 0 HD23 LEU A 58 -6.783 3.308 -3.836 1.00 0.41 H new ATOM 611 N ILE A 59 -6.837 4.014 0.605 1.00 0.32 N ATOM 612 CA ILE A 59 -6.833 4.352 2.023 1.00 0.39 C ATOM 613 C ILE A 59 -8.085 5.103 2.446 1.00 0.36 C ATOM 614 O ILE A 59 -8.462 6.110 1.842 1.00 0.37 O ATOM 615 CB ILE A 59 -5.601 5.209 2.385 1.00 0.52 C ATOM 616 CG1 ILE A 59 -5.534 5.446 3.896 1.00 0.64 C ATOM 617 CG2 ILE A 59 -5.637 6.536 1.640 1.00 0.57 C ATOM 618 CD1 ILE A 59 -4.347 6.281 4.325 1.00 0.78 C ATOM 0 H ILE A 59 -7.050 4.791 -0.021 1.00 0.32 H new ATOM 0 HA ILE A 59 -6.800 3.403 2.557 1.00 0.39 H new ATOM 0 HB ILE A 59 -4.706 4.666 2.082 1.00 0.52 H new ATOM 0 HG12 ILE A 59 -6.451 5.939 4.219 1.00 0.64 H new ATOM 0 HG13 ILE A 59 -5.494 4.483 4.405 1.00 0.64 H new ATOM 0 HG21 ILE A 59 -4.761 7.127 1.907 1.00 0.57 H new ATOM 0 HG22 ILE A 59 -5.636 6.350 0.566 1.00 0.57 H new ATOM 0 HG23 ILE A 59 -6.540 7.082 1.913 1.00 0.57 H new ATOM 0 HD11 ILE A 59 -4.364 6.408 5.407 1.00 0.78 H new ATOM 0 HD12 ILE A 59 -3.425 5.779 4.033 1.00 0.78 H new ATOM 0 HD13 ILE A 59 -4.397 7.258 3.844 1.00 0.78 H new ATOM 630 N SER A 60 -8.699 4.620 3.519 1.00 0.36 N ATOM 631 CA SER A 60 -9.879 5.255 4.073 1.00 0.34 C ATOM 632 C SER A 60 -9.590 5.666 5.511 1.00 0.34 C ATOM 633 O SER A 60 -9.569 4.827 6.411 1.00 0.35 O ATOM 634 CB SER A 60 -11.078 4.301 4.031 1.00 0.36 C ATOM 635 OG SER A 60 -11.980 4.560 5.095 1.00 1.25 O ATOM 0 H SER A 60 -8.394 3.787 4.022 1.00 0.36 H new ATOM 0 HA SER A 60 -10.125 6.135 3.478 1.00 0.34 H new ATOM 0 HB2 SER A 60 -11.596 4.407 3.078 1.00 0.36 H new ATOM 0 HB3 SER A 60 -10.728 3.270 4.091 1.00 0.36 H new ATOM 0 HG SER A 60 -12.735 3.938 5.042 1.00 1.25 H new ATOM 641 N PRO A 61 -9.339 6.962 5.746 1.00 0.34 N ATOM 642 CA PRO A 61 -9.019 7.472 7.079 1.00 0.34 C ATOM 643 C PRO A 61 -10.247 7.631 7.967 1.00 0.34 C ATOM 644 O PRO A 61 -11.132 8.441 7.693 1.00 0.35 O ATOM 645 CB PRO A 61 -8.406 8.840 6.778 1.00 0.36 C ATOM 646 CG PRO A 61 -9.083 9.271 5.529 1.00 0.53 C ATOM 647 CD PRO A 61 -9.285 8.021 4.723 1.00 0.35 C ATOM 0 HA PRO A 61 -8.367 6.792 7.628 1.00 0.34 H new ATOM 0 HB2 PRO A 61 -8.583 9.544 7.591 1.00 0.36 H new ATOM 0 HB3 PRO A 61 -7.326 8.773 6.644 1.00 0.36 H new ATOM 0 HG2 PRO A 61 -10.035 9.754 5.747 1.00 0.53 H new ATOM 0 HG3 PRO A 61 -8.476 9.994 4.984 1.00 0.53 H new ATOM 0 HD2 PRO A 61 -10.204 8.063 4.139 1.00 0.35 H new ATOM 0 HD3 PRO A 61 -8.468 7.860 4.020 1.00 0.35 H new ATOM 655 N ALA A 62 -10.277 6.850 9.042 1.00 0.34 N ATOM 656 CA ALA A 62 -11.375 6.888 9.997 1.00 0.36 C ATOM 657 C ALA A 62 -11.509 8.276 10.607 1.00 0.37 C ATOM 658 O ALA A 62 -12.611 8.735 10.907 1.00 0.41 O ATOM 659 CB ALA A 62 -11.159 5.850 11.089 1.00 0.39 C ATOM 0 H ALA A 62 -9.546 6.178 9.273 1.00 0.34 H new ATOM 0 HA ALA A 62 -12.299 6.655 9.468 1.00 0.36 H new ATOM 0 HB1 ALA A 62 -11.987 5.889 11.797 1.00 0.39 H new ATOM 0 HB2 ALA A 62 -11.110 4.857 10.642 1.00 0.39 H new ATOM 0 HB3 ALA A 62 -10.225 6.060 11.611 1.00 0.39 H new ATOM 665 N ASP A 63 -10.371 8.935 10.791 1.00 0.34 N ATOM 666 CA ASP A 63 -10.337 10.269 11.370 1.00 0.36 C ATOM 667 C ASP A 63 -10.585 11.353 10.317 1.00 0.41 C ATOM 668 O ASP A 63 -10.381 12.537 10.583 1.00 0.77 O ATOM 669 CB ASP A 63 -8.993 10.496 12.061 1.00 0.38 C ATOM 670 CG ASP A 63 -8.877 9.726 13.363 1.00 1.09 C ATOM 671 OD1 ASP A 63 -9.927 9.337 13.918 1.00 1.82 O ATOM 672 OD2 ASP A 63 -7.738 9.513 13.827 1.00 1.80 O ATOM 0 H ASP A 63 -9.454 8.562 10.545 1.00 0.34 H new ATOM 0 HA ASP A 63 -11.140 10.339 12.103 1.00 0.36 H new ATOM 0 HB2 ASP A 63 -8.187 10.196 11.391 1.00 0.38 H new ATOM 0 HB3 ASP A 63 -8.864 11.560 12.258 1.00 0.38 H new ATOM 677 N ASN A 64 -11.022 10.950 9.121 1.00 0.53 N ATOM 678 CA ASN A 64 -11.284 11.905 8.048 1.00 0.55 C ATOM 679 C ASN A 64 -12.414 11.430 7.128 1.00 0.53 C ATOM 680 O ASN A 64 -12.761 10.249 7.099 1.00 0.49 O ATOM 681 CB ASN A 64 -10.012 12.155 7.238 1.00 0.54 C ATOM 682 CG ASN A 64 -8.887 12.718 8.085 1.00 1.17 C ATOM 683 OD1 ASN A 64 -9.074 13.688 8.820 1.00 1.94 O ATOM 684 ND2 ASN A 64 -7.711 12.110 7.987 1.00 1.80 N ATOM 0 H ASN A 64 -11.200 9.976 8.875 1.00 0.53 H new ATOM 0 HA ASN A 64 -11.604 12.839 8.509 1.00 0.55 H new ATOM 0 HB2 ASN A 64 -9.686 11.221 6.781 1.00 0.54 H new ATOM 0 HB3 ASN A 64 -10.232 12.847 6.425 1.00 0.54 H new ATOM 0 HD21 ASN A 64 -6.917 12.444 8.534 1.00 1.80 H new ATOM 0 HD22 ASN A 64 -7.601 11.309 7.365 1.00 1.80 H new ATOM 691 N GLN A 65 -12.989 12.382 6.395 1.00 0.58 N ATOM 692 CA GLN A 65 -14.100 12.125 5.472 1.00 0.60 C ATOM 693 C GLN A 65 -13.684 11.278 4.270 1.00 0.54 C ATOM 694 O GLN A 65 -14.529 10.721 3.569 1.00 0.55 O ATOM 695 CB GLN A 65 -14.653 13.450 4.966 1.00 0.68 C ATOM 696 CG GLN A 65 -15.394 14.250 6.024 1.00 0.75 C ATOM 697 CD GLN A 65 -15.805 15.624 5.533 1.00 1.18 C ATOM 698 OE1 GLN A 65 -15.209 16.167 4.603 1.00 1.66 O ATOM 699 NE2 GLN A 65 -16.830 16.193 6.156 1.00 1.53 N ATOM 0 H GLN A 65 -12.698 13.359 6.423 1.00 0.58 H new ATOM 0 HA GLN A 65 -14.855 11.568 6.027 1.00 0.60 H new ATOM 0 HB2 GLN A 65 -13.831 14.052 4.579 1.00 0.68 H new ATOM 0 HB3 GLN A 65 -15.327 13.257 4.132 1.00 0.68 H new ATOM 0 HG2 GLN A 65 -16.281 13.699 6.336 1.00 0.75 H new ATOM 0 HG3 GLN A 65 -14.760 14.357 6.904 1.00 0.75 H new ATOM 0 HE21 GLN A 65 -17.295 15.706 6.922 1.00 1.53 H new ATOM 0 HE22 GLN A 65 -17.153 17.117 5.868 1.00 1.53 H new ATOM 708 N LYS A 66 -12.389 11.219 4.017 1.00 0.50 N ATOM 709 CA LYS A 66 -11.856 10.480 2.873 1.00 0.46 C ATOM 710 C LYS A 66 -12.102 8.979 3.021 1.00 0.40 C ATOM 711 O LYS A 66 -12.043 8.438 4.124 1.00 0.40 O ATOM 712 CB LYS A 66 -10.352 10.728 2.780 1.00 0.48 C ATOM 713 CG LYS A 66 -9.977 12.186 2.594 1.00 0.76 C ATOM 714 CD LYS A 66 -8.468 12.367 2.593 1.00 0.76 C ATOM 715 CE LYS A 66 -8.082 13.826 2.407 1.00 1.09 C ATOM 716 NZ LYS A 66 -7.052 14.259 3.390 1.00 1.74 N ATOM 0 H LYS A 66 -11.678 11.675 4.589 1.00 0.50 H new ATOM 0 HA LYS A 66 -12.362 10.826 1.972 1.00 0.46 H new ATOM 0 HB2 LYS A 66 -9.876 10.354 3.686 1.00 0.48 H new ATOM 0 HB3 LYS A 66 -9.950 10.151 1.947 1.00 0.48 H new ATOM 0 HG2 LYS A 66 -10.391 12.554 1.655 1.00 0.76 H new ATOM 0 HG3 LYS A 66 -10.417 12.783 3.393 1.00 0.76 H new ATOM 0 HD2 LYS A 66 -8.056 11.997 3.532 1.00 0.76 H new ATOM 0 HD3 LYS A 66 -8.029 11.769 1.794 1.00 0.76 H new ATOM 0 HE2 LYS A 66 -7.704 13.975 1.396 1.00 1.09 H new ATOM 0 HE3 LYS A 66 -8.968 14.452 2.511 1.00 1.09 H new ATOM 0 HZ1 LYS A 66 -6.817 15.259 3.229 1.00 1.74 H new ATOM 0 HZ2 LYS A 66 -7.422 14.141 4.355 1.00 1.74 H new ATOM 0 HZ3 LYS A 66 -6.196 13.679 3.274 1.00 1.74 H new ATOM 730 N VAL A 67 -12.374 8.308 1.900 1.00 0.41 N ATOM 731 CA VAL A 67 -12.605 6.910 1.880 1.00 0.38 C ATOM 732 C VAL A 67 -12.312 6.356 0.502 1.00 0.52 C ATOM 733 O VAL A 67 -12.817 6.835 -0.513 1.00 0.97 O ATOM 734 CB VAL A 67 -14.035 6.542 2.224 1.00 0.51 C ATOM 735 CG1 VAL A 67 -14.254 6.535 3.728 1.00 0.79 C ATOM 736 CG2 VAL A 67 -15.018 7.458 1.514 1.00 0.57 C ATOM 0 H VAL A 67 -12.435 8.750 0.983 1.00 0.41 H new ATOM 0 HA VAL A 67 -11.944 6.484 2.635 1.00 0.38 H new ATOM 0 HB VAL A 67 -14.219 5.528 1.868 1.00 0.51 H new ATOM 0 HG11 VAL A 67 -15.288 6.268 3.944 1.00 0.79 H new ATOM 0 HG12 VAL A 67 -13.587 5.807 4.189 1.00 0.79 H new ATOM 0 HG13 VAL A 67 -14.044 7.526 4.131 1.00 0.79 H new ATOM 0 HG21 VAL A 67 -16.037 7.173 1.778 1.00 0.57 H new ATOM 0 HG22 VAL A 67 -14.839 8.489 1.819 1.00 0.57 H new ATOM 0 HG23 VAL A 67 -14.884 7.370 0.436 1.00 0.57 H new ATOM 746 N ASP A 68 -11.529 5.329 0.505 1.00 0.33 N ATOM 747 CA ASP A 68 -11.153 4.613 -0.710 1.00 0.42 C ATOM 748 C ASP A 68 -10.427 5.500 -1.720 1.00 0.42 C ATOM 749 O ASP A 68 -10.646 5.381 -2.926 1.00 0.74 O ATOM 750 CB ASP A 68 -12.405 4.014 -1.351 1.00 0.63 C ATOM 751 CG ASP A 68 -12.976 2.867 -0.541 1.00 1.05 C ATOM 752 OD1 ASP A 68 -12.231 2.290 0.278 1.00 1.71 O ATOM 753 OD2 ASP A 68 -14.168 2.545 -0.728 1.00 1.77 O ATOM 0 H ASP A 68 -11.116 4.943 1.354 1.00 0.33 H new ATOM 0 HA ASP A 68 -10.456 3.826 -0.423 1.00 0.42 H new ATOM 0 HB2 ASP A 68 -13.162 4.791 -1.459 1.00 0.63 H new ATOM 0 HB3 ASP A 68 -12.164 3.662 -2.354 1.00 0.63 H new ATOM 758 N GLN A 69 -9.547 6.367 -1.235 1.00 0.34 N ATOM 759 CA GLN A 69 -8.780 7.240 -2.120 1.00 0.34 C ATOM 760 C GLN A 69 -7.421 6.623 -2.426 1.00 0.31 C ATOM 761 O GLN A 69 -6.793 6.033 -1.547 1.00 0.33 O ATOM 762 CB GLN A 69 -8.602 8.626 -1.500 1.00 0.38 C ATOM 763 CG GLN A 69 -9.891 9.430 -1.443 1.00 0.44 C ATOM 764 CD GLN A 69 -9.699 10.800 -0.826 1.00 1.19 C ATOM 765 OE1 GLN A 69 -8.738 11.034 -0.095 1.00 1.96 O ATOM 766 NE2 GLN A 69 -10.613 11.717 -1.123 1.00 1.88 N ATOM 0 H GLN A 69 -9.346 6.486 -0.242 1.00 0.34 H new ATOM 0 HA GLN A 69 -9.335 7.350 -3.051 1.00 0.34 H new ATOM 0 HB2 GLN A 69 -8.205 8.517 -0.491 1.00 0.38 H new ATOM 0 HB3 GLN A 69 -7.861 9.181 -2.075 1.00 0.38 H new ATOM 0 HG2 GLN A 69 -10.289 9.543 -2.452 1.00 0.44 H new ATOM 0 HG3 GLN A 69 -10.634 8.878 -0.867 1.00 0.44 H new ATOM 0 HE21 GLN A 69 -11.394 11.479 -1.734 1.00 1.88 H new ATOM 0 HE22 GLN A 69 -10.533 12.659 -0.740 1.00 1.88 H new ATOM 775 N VAL A 70 -6.959 6.759 -3.668 1.00 0.30 N ATOM 776 CA VAL A 70 -5.667 6.201 -4.040 1.00 0.29 C ATOM 777 C VAL A 70 -4.557 6.918 -3.291 1.00 0.28 C ATOM 778 O VAL A 70 -4.403 8.136 -3.392 1.00 0.38 O ATOM 779 CB VAL A 70 -5.398 6.285 -5.539 1.00 0.33 C ATOM 780 CG1 VAL A 70 -4.160 5.475 -5.895 1.00 0.77 C ATOM 781 CG2 VAL A 70 -6.605 5.819 -6.340 1.00 0.74 C ATOM 0 H VAL A 70 -7.452 7.242 -4.419 1.00 0.30 H new ATOM 0 HA VAL A 70 -5.690 5.146 -3.769 1.00 0.29 H new ATOM 0 HB VAL A 70 -5.216 7.328 -5.799 1.00 0.33 H new ATOM 0 HG11 VAL A 70 -3.977 5.542 -6.967 1.00 0.77 H new ATOM 0 HG12 VAL A 70 -3.299 5.870 -5.355 1.00 0.77 H new ATOM 0 HG13 VAL A 70 -4.315 4.432 -5.618 1.00 0.77 H new ATOM 0 HG21 VAL A 70 -6.384 5.890 -7.405 1.00 0.74 H new ATOM 0 HG22 VAL A 70 -6.834 4.784 -6.085 1.00 0.74 H new ATOM 0 HG23 VAL A 70 -7.463 6.449 -6.105 1.00 0.74 H new ATOM 791 N ILE A 71 -3.813 6.153 -2.512 1.00 0.32 N ATOM 792 CA ILE A 71 -2.734 6.696 -1.697 1.00 0.38 C ATOM 793 C ILE A 71 -1.362 6.358 -2.266 1.00 0.33 C ATOM 794 O ILE A 71 -0.539 7.246 -2.475 1.00 0.35 O ATOM 795 CB ILE A 71 -2.879 6.208 -0.229 1.00 0.50 C ATOM 796 CG1 ILE A 71 -1.600 6.428 0.571 1.00 0.56 C ATOM 797 CG2 ILE A 71 -3.293 4.743 -0.170 1.00 1.15 C ATOM 798 CD1 ILE A 71 -0.441 5.567 0.121 1.00 0.26 C ATOM 0 H ILE A 71 -3.936 5.144 -2.425 1.00 0.32 H new ATOM 0 HA ILE A 71 -2.814 7.783 -1.711 1.00 0.38 H new ATOM 0 HB ILE A 71 -3.667 6.808 0.226 1.00 0.50 H new ATOM 0 HG12 ILE A 71 -1.312 7.477 0.496 1.00 0.56 H new ATOM 0 HG13 ILE A 71 -1.802 6.227 1.623 1.00 0.56 H new ATOM 0 HG21 ILE A 71 -3.386 4.433 0.871 1.00 1.15 H new ATOM 0 HG22 ILE A 71 -4.251 4.615 -0.673 1.00 1.15 H new ATOM 0 HG23 ILE A 71 -2.539 4.132 -0.665 1.00 1.15 H new ATOM 0 HD11 ILE A 71 0.432 5.781 0.738 1.00 0.26 H new ATOM 0 HD12 ILE A 71 -0.708 4.515 0.223 1.00 0.26 H new ATOM 0 HD13 ILE A 71 -0.210 5.784 -0.922 1.00 0.26 H new ATOM 810 N ILE A 72 -1.123 5.093 -2.536 1.00 0.29 N ATOM 811 CA ILE A 72 0.142 4.663 -3.109 1.00 0.24 C ATOM 812 C ILE A 72 -0.156 3.613 -4.168 1.00 0.22 C ATOM 813 O ILE A 72 -0.821 2.613 -3.908 1.00 0.27 O ATOM 814 CB ILE A 72 1.124 4.108 -2.028 1.00 0.23 C ATOM 815 CG1 ILE A 72 2.493 3.826 -2.645 1.00 0.21 C ATOM 816 CG2 ILE A 72 0.572 2.849 -1.380 1.00 0.25 C ATOM 817 CD1 ILE A 72 2.562 2.593 -3.518 1.00 0.29 C ATOM 0 H ILE A 72 -1.789 4.339 -2.368 1.00 0.29 H new ATOM 0 HA ILE A 72 0.643 5.522 -3.555 1.00 0.24 H new ATOM 0 HB ILE A 72 1.235 4.868 -1.255 1.00 0.23 H new ATOM 0 HG12 ILE A 72 2.791 4.690 -3.239 1.00 0.21 H new ATOM 0 HG13 ILE A 72 3.222 3.724 -1.841 1.00 0.21 H new ATOM 0 HG21 ILE A 72 1.277 2.486 -0.632 1.00 0.25 H new ATOM 0 HG22 ILE A 72 -0.381 3.074 -0.901 1.00 0.25 H new ATOM 0 HG23 ILE A 72 0.424 2.083 -2.141 1.00 0.25 H new ATOM 0 HD11 ILE A 72 3.573 2.480 -3.908 1.00 0.29 H new ATOM 0 HD12 ILE A 72 2.300 1.715 -2.928 1.00 0.29 H new ATOM 0 HD13 ILE A 72 1.862 2.695 -4.348 1.00 0.29 H new ATOM 829 N LEU A 73 0.282 3.883 -5.383 1.00 0.25 N ATOM 830 CA LEU A 73 0.005 3.000 -6.501 1.00 0.26 C ATOM 831 C LEU A 73 1.277 2.697 -7.282 1.00 0.27 C ATOM 832 O LEU A 73 2.210 3.477 -7.266 1.00 0.30 O ATOM 833 CB LEU A 73 -1.034 3.685 -7.401 1.00 0.33 C ATOM 834 CG LEU A 73 -1.957 2.761 -8.190 1.00 0.71 C ATOM 835 CD1 LEU A 73 -3.345 3.376 -8.304 1.00 1.30 C ATOM 836 CD2 LEU A 73 -1.384 2.474 -9.571 1.00 1.22 C ATOM 0 H LEU A 73 0.832 4.708 -5.622 1.00 0.25 H new ATOM 0 HA LEU A 73 -0.383 2.049 -6.136 1.00 0.26 H new ATOM 0 HB2 LEU A 73 -1.650 4.335 -6.780 1.00 0.33 H new ATOM 0 HB3 LEU A 73 -0.506 4.326 -8.107 1.00 0.33 H new ATOM 0 HG LEU A 73 -2.037 1.815 -7.654 1.00 0.71 H new ATOM 0 HD11 LEU A 73 -3.994 2.707 -8.869 1.00 1.30 H new ATOM 0 HD12 LEU A 73 -3.759 3.527 -7.307 1.00 1.30 H new ATOM 0 HD13 LEU A 73 -3.277 4.335 -8.818 1.00 1.30 H new ATOM 0 HD21 LEU A 73 -2.059 1.813 -10.115 1.00 1.22 H new ATOM 0 HD22 LEU A 73 -1.271 3.409 -10.120 1.00 1.22 H new ATOM 0 HD23 LEU A 73 -0.411 1.994 -9.469 1.00 1.22 H new ATOM 848 N TYR A 74 1.299 1.564 -7.967 1.00 0.25 N ATOM 849 CA TYR A 74 2.455 1.161 -8.769 1.00 0.27 C ATOM 850 C TYR A 74 2.004 0.691 -10.150 1.00 0.29 C ATOM 851 O TYR A 74 1.481 -0.413 -10.296 1.00 0.29 O ATOM 852 CB TYR A 74 3.213 0.026 -8.076 1.00 0.28 C ATOM 853 CG TYR A 74 4.474 -0.399 -8.788 1.00 0.33 C ATOM 854 CD1 TYR A 74 4.409 -1.201 -9.921 1.00 1.19 C ATOM 855 CD2 TYR A 74 5.726 0.004 -8.338 1.00 1.25 C ATOM 856 CE1 TYR A 74 5.556 -1.590 -10.587 1.00 1.21 C ATOM 857 CE2 TYR A 74 6.877 -0.381 -9.000 1.00 1.30 C ATOM 858 CZ TYR A 74 6.786 -1.176 -10.124 1.00 0.50 C ATOM 859 OH TYR A 74 7.930 -1.562 -10.784 1.00 0.60 O ATOM 0 H TYR A 74 0.525 0.900 -7.986 1.00 0.25 H new ATOM 0 HA TYR A 74 3.113 2.024 -8.876 1.00 0.27 H new ATOM 0 HB2 TYR A 74 3.468 0.339 -7.064 1.00 0.28 H new ATOM 0 HB3 TYR A 74 2.552 -0.836 -7.986 1.00 0.28 H new ATOM 0 HD1 TYR A 74 3.446 -1.526 -10.287 1.00 1.19 H new ATOM 0 HD2 TYR A 74 5.801 0.627 -7.459 1.00 1.25 H new ATOM 0 HE1 TYR A 74 5.489 -2.215 -11.465 1.00 1.21 H new ATOM 0 HE2 TYR A 74 7.843 -0.061 -8.639 1.00 1.30 H new ATOM 0 HH TYR A 74 8.712 -1.185 -10.330 1.00 0.60 H new ATOM 869 N SER A 75 2.211 1.529 -11.159 1.00 0.32 N ATOM 870 CA SER A 75 1.819 1.179 -12.529 1.00 0.36 C ATOM 871 C SER A 75 2.827 1.685 -13.559 1.00 0.41 C ATOM 872 O SER A 75 3.561 2.640 -13.308 1.00 0.43 O ATOM 873 CB SER A 75 0.433 1.735 -12.856 1.00 0.39 C ATOM 874 OG SER A 75 -0.071 1.175 -14.057 1.00 0.89 O ATOM 0 H SER A 75 2.643 2.448 -11.062 1.00 0.32 H new ATOM 0 HA SER A 75 1.795 0.091 -12.582 1.00 0.36 H new ATOM 0 HB2 SER A 75 -0.251 1.520 -12.035 1.00 0.39 H new ATOM 0 HB3 SER A 75 0.486 2.820 -12.951 1.00 0.39 H new ATOM 0 HG SER A 75 -0.952 0.780 -13.889 1.00 0.89 H new ATOM 880 N GLY A 76 2.843 1.044 -14.729 1.00 0.44 N ATOM 881 CA GLY A 76 3.745 1.452 -15.791 1.00 0.50 C ATOM 882 C GLY A 76 5.183 1.516 -15.333 1.00 0.52 C ATOM 883 O GLY A 76 5.970 2.318 -15.836 1.00 0.57 O ATOM 0 H GLY A 76 2.246 0.249 -14.958 1.00 0.44 H new ATOM 0 HA2 GLY A 76 3.662 0.752 -16.623 1.00 0.50 H new ATOM 0 HA3 GLY A 76 3.442 2.430 -16.166 1.00 0.50 H new ATOM 887 N ASP A 77 5.522 0.679 -14.362 1.00 0.55 N ATOM 888 CA ASP A 77 6.870 0.648 -13.812 1.00 0.63 C ATOM 889 C ASP A 77 7.135 1.881 -12.946 1.00 0.62 C ATOM 890 O ASP A 77 8.232 2.048 -12.413 1.00 0.66 O ATOM 891 CB ASP A 77 7.904 0.558 -14.937 1.00 0.72 C ATOM 892 CG ASP A 77 8.780 -0.672 -14.818 1.00 0.85 C ATOM 893 OD1 ASP A 77 8.227 -1.780 -14.654 1.00 1.46 O ATOM 894 OD2 ASP A 77 10.019 -0.529 -14.888 1.00 1.40 O ATOM 0 H ASP A 77 4.879 0.010 -13.938 1.00 0.55 H new ATOM 0 HA ASP A 77 6.959 -0.237 -13.182 1.00 0.63 H new ATOM 0 HB2 ASP A 77 7.391 0.544 -15.898 1.00 0.72 H new ATOM 0 HB3 ASP A 77 8.531 1.450 -14.923 1.00 0.72 H new ATOM 899 N LYS A 78 6.115 2.725 -12.779 1.00 0.64 N ATOM 900 CA LYS A 78 6.237 3.913 -11.947 1.00 0.66 C ATOM 901 C LYS A 78 5.621 3.655 -10.599 1.00 0.58 C ATOM 902 O LYS A 78 4.401 3.525 -10.486 1.00 0.46 O ATOM 903 CB LYS A 78 5.530 5.122 -12.574 1.00 0.66 C ATOM 904 CG LYS A 78 6.280 5.742 -13.738 1.00 0.86 C ATOM 905 CD LYS A 78 5.527 6.931 -14.311 1.00 1.35 C ATOM 906 CE LYS A 78 6.276 7.553 -15.477 1.00 1.65 C ATOM 907 NZ LYS A 78 7.123 8.698 -15.042 1.00 2.41 N ATOM 0 H LYS A 78 5.199 2.604 -13.210 1.00 0.64 H new ATOM 0 HA LYS A 78 7.300 4.136 -11.853 1.00 0.66 H new ATOM 0 HB2 LYS A 78 4.541 4.815 -12.915 1.00 0.66 H new ATOM 0 HB3 LYS A 78 5.381 5.881 -11.806 1.00 0.66 H new ATOM 0 HG2 LYS A 78 7.269 6.060 -13.408 1.00 0.86 H new ATOM 0 HG3 LYS A 78 6.429 4.994 -14.517 1.00 0.86 H new ATOM 0 HD2 LYS A 78 4.538 6.613 -14.640 1.00 1.35 H new ATOM 0 HD3 LYS A 78 5.378 7.679 -13.532 1.00 1.35 H new ATOM 0 HE2 LYS A 78 6.902 6.797 -15.952 1.00 1.65 H new ATOM 0 HE3 LYS A 78 5.562 7.893 -16.228 1.00 1.65 H new ATOM 0 HZ1 LYS A 78 7.618 9.096 -15.865 1.00 2.41 H new ATOM 0 HZ2 LYS A 78 6.523 9.430 -14.612 1.00 2.41 H new ATOM 0 HZ3 LYS A 78 7.821 8.369 -14.345 1.00 2.41 H new ATOM 921 N ILE A 79 6.441 3.615 -9.566 1.00 0.67 N ATOM 922 CA ILE A 79 5.908 3.413 -8.252 1.00 0.62 C ATOM 923 C ILE A 79 5.460 4.745 -7.725 1.00 0.57 C ATOM 924 O ILE A 79 6.240 5.684 -7.565 1.00 0.74 O ATOM 925 CB ILE A 79 6.874 2.690 -7.286 1.00 0.78 C ATOM 926 CG1 ILE A 79 6.974 3.362 -5.923 1.00 0.74 C ATOM 927 CG2 ILE A 79 8.255 2.523 -7.891 1.00 1.44 C ATOM 928 CD1 ILE A 79 5.639 3.631 -5.271 1.00 1.66 C ATOM 0 H ILE A 79 7.454 3.718 -9.617 1.00 0.67 H new ATOM 0 HA ILE A 79 5.060 2.732 -8.323 1.00 0.62 H new ATOM 0 HB ILE A 79 6.440 1.703 -7.127 1.00 0.78 H new ATOM 0 HG12 ILE A 79 7.569 2.732 -5.262 1.00 0.74 H new ATOM 0 HG13 ILE A 79 7.510 4.305 -6.033 1.00 0.74 H new ATOM 0 HG21 ILE A 79 8.904 2.011 -7.181 1.00 1.44 H new ATOM 0 HG22 ILE A 79 8.183 1.935 -8.806 1.00 1.44 H new ATOM 0 HG23 ILE A 79 8.672 3.503 -8.122 1.00 1.44 H new ATOM 0 HD11 ILE A 79 5.796 4.111 -4.305 1.00 1.66 H new ATOM 0 HD12 ILE A 79 5.048 4.287 -5.910 1.00 1.66 H new ATOM 0 HD13 ILE A 79 5.108 2.690 -5.127 1.00 1.66 H new ATOM 940 N TYR A 80 4.179 4.805 -7.500 1.00 0.40 N ATOM 941 CA TYR A 80 3.529 5.996 -7.033 1.00 0.40 C ATOM 942 C TYR A 80 3.284 5.919 -5.530 1.00 0.35 C ATOM 943 O TYR A 80 2.714 4.953 -5.035 1.00 0.34 O ATOM 944 CB TYR A 80 2.209 6.164 -7.781 1.00 0.38 C ATOM 945 CG TYR A 80 2.226 5.705 -9.238 1.00 0.39 C ATOM 946 CD1 TYR A 80 2.978 6.365 -10.216 1.00 1.24 C ATOM 947 CD2 TYR A 80 1.432 4.637 -9.650 1.00 1.24 C ATOM 948 CE1 TYR A 80 2.924 5.975 -11.538 1.00 1.25 C ATOM 949 CE2 TYR A 80 1.390 4.242 -10.966 1.00 1.24 C ATOM 950 CZ TYR A 80 2.130 4.916 -11.908 1.00 0.42 C ATOM 951 OH TYR A 80 2.072 4.531 -13.228 1.00 0.45 O ATOM 0 H TYR A 80 3.547 4.016 -7.638 1.00 0.40 H new ATOM 0 HA TYR A 80 4.169 6.857 -7.223 1.00 0.40 H new ATOM 0 HB2 TYR A 80 1.436 5.609 -7.250 1.00 0.38 H new ATOM 0 HB3 TYR A 80 1.924 7.216 -7.751 1.00 0.38 H new ATOM 0 HD1 TYR A 80 3.611 7.193 -9.931 1.00 1.24 H new ATOM 0 HD2 TYR A 80 0.837 4.108 -8.920 1.00 1.24 H new ATOM 0 HE1 TYR A 80 3.505 6.501 -12.281 1.00 1.25 H new ATOM 0 HE2 TYR A 80 0.776 3.403 -11.259 1.00 1.24 H new ATOM 0 HH TYR A 80 2.903 4.072 -13.472 1.00 0.45 H new ATOM 961 N ASP A 81 3.728 6.955 -4.831 1.00 0.33 N ATOM 962 CA ASP A 81 3.602 7.077 -3.376 1.00 0.29 C ATOM 963 C ASP A 81 3.903 8.520 -3.013 1.00 0.31 C ATOM 964 O ASP A 81 3.102 9.193 -2.371 1.00 0.33 O ATOM 965 CB ASP A 81 4.594 6.145 -2.659 1.00 0.26 C ATOM 966 CG ASP A 81 6.042 6.424 -3.017 1.00 0.31 C ATOM 967 OD1 ASP A 81 6.300 6.841 -4.166 1.00 1.09 O ATOM 968 OD2 ASP A 81 6.917 6.225 -2.148 1.00 1.20 O ATOM 0 H ASP A 81 4.195 7.752 -5.263 1.00 0.33 H new ATOM 0 HA ASP A 81 2.596 6.794 -3.065 1.00 0.29 H new ATOM 0 HB2 ASP A 81 4.466 6.249 -1.582 1.00 0.26 H new ATOM 0 HB3 ASP A 81 4.357 5.111 -2.910 1.00 0.26 H new ATOM 973 N ASP A 82 5.054 8.992 -3.490 1.00 0.32 N ATOM 974 CA ASP A 82 5.485 10.367 -3.286 1.00 0.36 C ATOM 975 C ASP A 82 4.777 11.270 -4.286 1.00 0.41 C ATOM 976 O ASP A 82 4.606 12.468 -4.056 1.00 0.45 O ATOM 977 CB ASP A 82 7.001 10.482 -3.454 1.00 0.40 C ATOM 978 CG ASP A 82 7.761 9.600 -2.482 1.00 1.34 C ATOM 979 OD1 ASP A 82 7.116 8.984 -1.608 1.00 2.17 O ATOM 980 OD2 ASP A 82 9.003 9.527 -2.593 1.00 2.08 O ATOM 0 H ASP A 82 5.712 8.428 -4.029 1.00 0.32 H new ATOM 0 HA ASP A 82 5.228 10.676 -2.273 1.00 0.36 H new ATOM 0 HB2 ASP A 82 7.272 10.211 -4.474 1.00 0.40 H new ATOM 0 HB3 ASP A 82 7.302 11.520 -3.310 1.00 0.40 H new ATOM 985 N TYR A 83 4.339 10.665 -5.387 1.00 0.43 N ATOM 986 CA TYR A 83 3.617 11.363 -6.422 1.00 0.50 C ATOM 987 C TYR A 83 2.176 11.539 -5.973 1.00 0.50 C ATOM 988 O TYR A 83 1.492 12.485 -6.363 1.00 0.56 O ATOM 989 CB TYR A 83 3.690 10.542 -7.704 1.00 0.53 C ATOM 990 CG TYR A 83 2.483 10.677 -8.581 1.00 1.40 C ATOM 991 CD1 TYR A 83 2.349 11.732 -9.462 1.00 2.33 C ATOM 992 CD2 TYR A 83 1.483 9.732 -8.519 1.00 2.31 C ATOM 993 CE1 TYR A 83 1.233 11.845 -10.270 1.00 3.45 C ATOM 994 CE2 TYR A 83 0.362 9.826 -9.319 1.00 3.41 C ATOM 995 CZ TYR A 83 0.241 10.886 -10.196 1.00 3.83 C ATOM 996 OH TYR A 83 -0.873 10.987 -10.997 1.00 5.05 O ATOM 0 H TYR A 83 4.480 9.673 -5.578 1.00 0.43 H new ATOM 0 HA TYR A 83 4.050 12.346 -6.608 1.00 0.50 H new ATOM 0 HB2 TYR A 83 4.572 10.845 -8.268 1.00 0.53 H new ATOM 0 HB3 TYR A 83 3.823 9.492 -7.444 1.00 0.53 H new ATOM 0 HD1 TYR A 83 3.127 12.479 -9.521 1.00 2.33 H new ATOM 0 HD2 TYR A 83 1.577 8.903 -7.833 1.00 2.31 H new ATOM 0 HE1 TYR A 83 1.137 12.676 -10.953 1.00 3.45 H new ATOM 0 HE2 TYR A 83 -0.414 9.077 -9.260 1.00 3.41 H new ATOM 0 HH TYR A 83 -1.472 10.231 -10.821 1.00 5.05 H new ATOM 1006 N TYR A 84 1.732 10.607 -5.135 1.00 0.44 N ATOM 1007 CA TYR A 84 0.387 10.632 -4.605 1.00 0.45 C ATOM 1008 C TYR A 84 0.311 11.520 -3.385 1.00 0.47 C ATOM 1009 O TYR A 84 0.966 11.246 -2.380 1.00 0.48 O ATOM 1010 CB TYR A 84 -0.056 9.221 -4.226 1.00 0.41 C ATOM 1011 CG TYR A 84 -0.936 8.614 -5.265 1.00 0.39 C ATOM 1012 CD1 TYR A 84 -2.241 9.039 -5.386 1.00 1.23 C ATOM 1013 CD2 TYR A 84 -0.463 7.647 -6.137 1.00 1.27 C ATOM 1014 CE1 TYR A 84 -3.066 8.530 -6.346 1.00 1.23 C ATOM 1015 CE2 TYR A 84 -1.283 7.116 -7.111 1.00 1.29 C ATOM 1016 CZ TYR A 84 -2.590 7.563 -7.216 1.00 0.40 C ATOM 1017 OH TYR A 84 -3.416 7.048 -8.189 1.00 0.41 O ATOM 0 H TYR A 84 2.296 9.821 -4.810 1.00 0.44 H new ATOM 0 HA TYR A 84 -0.273 11.028 -5.377 1.00 0.45 H new ATOM 0 HB2 TYR A 84 0.822 8.592 -4.082 1.00 0.41 H new ATOM 0 HB3 TYR A 84 -0.586 9.251 -3.274 1.00 0.41 H new ATOM 0 HD1 TYR A 84 -2.618 9.790 -4.708 1.00 1.23 H new ATOM 0 HD2 TYR A 84 0.558 7.305 -6.053 1.00 1.27 H new ATOM 0 HE1 TYR A 84 -4.085 8.879 -6.427 1.00 1.23 H new ATOM 0 HE2 TYR A 84 -0.910 6.359 -7.785 1.00 1.29 H new ATOM 0 HH TYR A 84 -2.879 6.571 -8.855 1.00 0.41 H new ATOM 1027 N PRO A 85 -0.515 12.576 -3.419 1.00 0.54 N ATOM 1028 CA PRO A 85 -0.669 13.448 -2.271 1.00 0.58 C ATOM 1029 C PRO A 85 -0.929 12.611 -1.042 1.00 0.53 C ATOM 1030 O PRO A 85 -0.354 12.843 0.025 1.00 0.54 O ATOM 1031 CB PRO A 85 -1.884 14.324 -2.615 1.00 0.67 C ATOM 1032 CG PRO A 85 -2.494 13.705 -3.832 1.00 0.79 C ATOM 1033 CD PRO A 85 -1.384 12.976 -4.533 1.00 0.63 C ATOM 0 HA PRO A 85 0.214 14.052 -2.063 1.00 0.58 H new ATOM 0 HB2 PRO A 85 -2.595 14.349 -1.790 1.00 0.67 H new ATOM 0 HB3 PRO A 85 -1.583 15.354 -2.808 1.00 0.67 H new ATOM 0 HG2 PRO A 85 -3.298 13.021 -3.559 1.00 0.79 H new ATOM 0 HG3 PRO A 85 -2.929 14.466 -4.479 1.00 0.79 H new ATOM 0 HD2 PRO A 85 -1.752 12.115 -5.090 1.00 0.63 H new ATOM 0 HD3 PRO A 85 -0.863 13.617 -5.244 1.00 0.63 H new ATOM 1041 N ASP A 86 -1.767 11.593 -1.213 1.00 0.51 N ATOM 1042 CA ASP A 86 -2.062 10.702 -0.117 1.00 0.51 C ATOM 1043 C ASP A 86 -0.824 9.894 0.269 1.00 0.58 C ATOM 1044 O ASP A 86 -0.443 8.946 -0.416 1.00 1.19 O ATOM 1045 CB ASP A 86 -3.233 9.784 -0.475 1.00 0.50 C ATOM 1046 CG ASP A 86 -4.576 10.422 -0.179 1.00 0.67 C ATOM 1047 OD1 ASP A 86 -4.616 11.375 0.628 1.00 1.33 O ATOM 1048 OD2 ASP A 86 -5.588 9.969 -0.753 1.00 1.36 O ATOM 0 H ASP A 86 -2.243 11.374 -2.088 1.00 0.51 H new ATOM 0 HA ASP A 86 -2.353 11.299 0.748 1.00 0.51 H new ATOM 0 HB2 ASP A 86 -3.180 9.528 -1.533 1.00 0.50 H new ATOM 0 HB3 ASP A 86 -3.145 8.852 0.083 1.00 0.50 H new ATOM 1053 N LEU A 87 -0.220 10.284 1.386 1.00 0.47 N ATOM 1054 CA LEU A 87 0.963 9.617 1.937 1.00 0.40 C ATOM 1055 C LEU A 87 2.233 9.796 1.094 1.00 0.34 C ATOM 1056 O LEU A 87 3.138 8.957 1.135 1.00 0.31 O ATOM 1057 CB LEU A 87 0.686 8.125 2.139 1.00 0.42 C ATOM 1058 CG LEU A 87 -0.125 7.769 3.394 1.00 0.72 C ATOM 1059 CD1 LEU A 87 -1.557 8.275 3.283 1.00 1.24 C ATOM 1060 CD2 LEU A 87 -0.112 6.264 3.623 1.00 1.62 C ATOM 0 H LEU A 87 -0.537 11.078 1.942 1.00 0.47 H new ATOM 0 HA LEU A 87 1.157 10.103 2.893 1.00 0.40 H new ATOM 0 HB2 LEU A 87 0.154 7.750 1.265 1.00 0.42 H new ATOM 0 HB3 LEU A 87 1.639 7.598 2.182 1.00 0.42 H new ATOM 0 HG LEU A 87 0.342 8.259 4.248 1.00 0.72 H new ATOM 0 HD11 LEU A 87 -2.108 8.009 4.185 1.00 1.24 H new ATOM 0 HD12 LEU A 87 -1.552 9.359 3.167 1.00 1.24 H new ATOM 0 HD13 LEU A 87 -2.038 7.820 2.417 1.00 1.24 H new ATOM 0 HD21 LEU A 87 -0.691 6.027 4.516 1.00 1.62 H new ATOM 0 HD22 LEU A 87 -0.551 5.761 2.762 1.00 1.62 H new ATOM 0 HD23 LEU A 87 0.915 5.925 3.756 1.00 1.62 H new ATOM 1072 N LYS A 88 2.329 10.883 0.351 1.00 0.35 N ATOM 1073 CA LYS A 88 3.538 11.129 -0.437 1.00 0.33 C ATOM 1074 C LYS A 88 4.777 11.161 0.449 1.00 0.33 C ATOM 1075 O LYS A 88 4.824 11.882 1.445 1.00 0.57 O ATOM 1076 CB LYS A 88 3.418 12.438 -1.218 1.00 0.44 C ATOM 1077 CG LYS A 88 3.092 13.633 -0.338 1.00 1.19 C ATOM 1078 CD LYS A 88 2.912 14.900 -1.157 1.00 1.20 C ATOM 1079 CE LYS A 88 2.586 16.091 -0.268 1.00 1.92 C ATOM 1080 NZ LYS A 88 2.333 17.327 -1.060 1.00 2.39 N ATOM 0 H LYS A 88 1.607 11.599 0.272 1.00 0.35 H new ATOM 0 HA LYS A 88 3.644 10.306 -1.144 1.00 0.33 H new ATOM 0 HB2 LYS A 88 4.354 12.627 -1.744 1.00 0.44 H new ATOM 0 HB3 LYS A 88 2.642 12.331 -1.976 1.00 0.44 H new ATOM 0 HG2 LYS A 88 2.182 13.432 0.227 1.00 1.19 H new ATOM 0 HG3 LYS A 88 3.892 13.779 0.388 1.00 1.19 H new ATOM 0 HD2 LYS A 88 3.822 15.103 -1.721 1.00 1.20 H new ATOM 0 HD3 LYS A 88 2.112 14.756 -1.883 1.00 1.20 H new ATOM 0 HE2 LYS A 88 1.709 15.862 0.337 1.00 1.92 H new ATOM 0 HE3 LYS A 88 3.412 16.265 0.422 1.00 1.92 H new ATOM 0 HZ1 LYS A 88 2.115 18.114 -0.416 1.00 2.39 H new ATOM 0 HZ2 LYS A 88 3.179 17.561 -1.618 1.00 2.39 H new ATOM 0 HZ3 LYS A 88 1.528 17.171 -1.700 1.00 2.39 H new ATOM 1094 N GLY A 89 5.791 10.398 0.059 1.00 0.33 N ATOM 1095 CA GLY A 89 7.030 10.378 0.805 1.00 0.37 C ATOM 1096 C GLY A 89 7.041 9.408 1.972 1.00 0.28 C ATOM 1097 O GLY A 89 7.852 9.563 2.885 1.00 0.29 O ATOM 0 H GLY A 89 5.775 9.793 -0.762 1.00 0.33 H new ATOM 0 HA2 GLY A 89 7.844 10.122 0.127 1.00 0.37 H new ATOM 0 HA3 GLY A 89 7.231 11.382 1.180 1.00 0.37 H new ATOM 1101 N ARG A 90 6.143 8.421 1.981 1.00 0.24 N ATOM 1102 CA ARG A 90 6.109 7.487 3.107 1.00 0.22 C ATOM 1103 C ARG A 90 5.734 6.091 2.738 1.00 0.20 C ATOM 1104 O ARG A 90 6.392 5.144 3.157 1.00 0.21 O ATOM 1105 CB ARG A 90 5.106 7.993 4.124 1.00 0.26 C ATOM 1106 CG ARG A 90 3.736 8.231 3.505 1.00 0.29 C ATOM 1107 CD ARG A 90 2.824 8.927 4.492 1.00 0.39 C ATOM 1108 NE ARG A 90 2.591 8.112 5.670 1.00 0.81 N ATOM 1109 CZ ARG A 90 1.770 8.452 6.649 1.00 1.14 C ATOM 1110 NH1 ARG A 90 1.152 9.626 6.631 1.00 1.59 N ATOM 1111 NH2 ARG A 90 1.571 7.618 7.652 1.00 1.52 N ATOM 0 H ARG A 90 5.453 8.250 1.250 1.00 0.24 H new ATOM 0 HA ARG A 90 7.124 7.445 3.501 1.00 0.22 H new ATOM 0 HB2 ARG A 90 5.017 7.271 4.935 1.00 0.26 H new ATOM 0 HB3 ARG A 90 5.472 8.921 4.563 1.00 0.26 H new ATOM 0 HG2 ARG A 90 3.837 8.837 2.604 1.00 0.29 H new ATOM 0 HG3 ARG A 90 3.297 7.280 3.202 1.00 0.29 H new ATOM 0 HD2 ARG A 90 3.266 9.878 4.789 1.00 0.39 H new ATOM 0 HD3 ARG A 90 1.872 9.154 4.012 1.00 0.39 H new ATOM 0 HE ARG A 90 3.090 7.225 5.747 1.00 0.81 H new ATOM 0 HH11 ARG A 90 1.309 10.273 5.858 1.00 1.59 H new ATOM 0 HH12 ARG A 90 0.520 9.881 7.390 1.00 1.59 H new ATOM 0 HH21 ARG A 90 2.049 6.717 7.669 1.00 1.52 H new ATOM 0 HH22 ARG A 90 0.939 7.874 8.410 1.00 1.52 H new ATOM 1125 N VAL A 91 4.690 5.947 1.990 1.00 0.19 N ATOM 1126 CA VAL A 91 4.273 4.634 1.630 1.00 0.18 C ATOM 1127 C VAL A 91 5.175 4.174 0.509 1.00 0.18 C ATOM 1128 O VAL A 91 4.892 4.309 -0.678 1.00 0.18 O ATOM 1129 CB VAL A 91 2.823 4.644 1.208 1.00 0.19 C ATOM 1130 CG1 VAL A 91 2.646 5.625 0.054 1.00 0.20 C ATOM 1131 CG2 VAL A 91 2.381 3.228 0.881 1.00 0.20 C ATOM 0 H VAL A 91 4.119 6.708 1.622 1.00 0.19 H new ATOM 0 HA VAL A 91 4.350 3.949 2.474 1.00 0.18 H new ATOM 0 HB VAL A 91 2.178 4.989 2.016 1.00 0.19 H new ATOM 0 HG11 VAL A 91 1.601 5.637 -0.256 1.00 0.20 H new ATOM 0 HG12 VAL A 91 2.941 6.624 0.377 1.00 0.20 H new ATOM 0 HG13 VAL A 91 3.270 5.316 -0.785 1.00 0.20 H new ATOM 0 HG21 VAL A 91 1.334 3.235 0.576 1.00 0.20 H new ATOM 0 HG22 VAL A 91 2.993 2.834 0.069 1.00 0.20 H new ATOM 0 HG23 VAL A 91 2.498 2.598 1.762 1.00 0.20 H new ATOM 1141 N HIS A 92 6.319 3.713 0.950 1.00 0.18 N ATOM 1142 CA HIS A 92 7.400 3.299 0.098 1.00 0.20 C ATOM 1143 C HIS A 92 7.510 1.772 -0.024 1.00 0.18 C ATOM 1144 O HIS A 92 7.551 1.074 0.986 1.00 0.19 O ATOM 1145 CB HIS A 92 8.640 3.928 0.735 1.00 0.22 C ATOM 1146 CG HIS A 92 8.920 5.297 0.232 1.00 0.24 C ATOM 1147 ND1 HIS A 92 9.783 5.769 -0.696 1.00 0.24 N flip ATOM 1148 CD2 HIS A 92 8.248 6.386 0.721 1.00 0.28 C flip ATOM 1149 CE1 HIS A 92 9.608 7.133 -0.742 1.00 0.27 C flip ATOM 1150 NE2 HIS A 92 8.671 7.470 0.128 1.00 0.29 N flip ATOM 0 H HIS A 92 6.528 3.613 1.943 1.00 0.18 H new ATOM 0 HA HIS A 92 7.256 3.626 -0.932 1.00 0.20 H new ATOM 0 HB2 HIS A 92 8.507 3.964 1.816 1.00 0.22 H new ATOM 0 HB3 HIS A 92 9.504 3.292 0.541 1.00 0.22 H new ATOM 0 HD1 HIS A 92 10.437 5.220 -1.254 1.00 0.24 H new ATOM 0 HD2 HIS A 92 7.483 6.353 1.483 1.00 0.28 H new ATOM 0 HE1 HIS A 92 10.147 7.815 -1.383 1.00 0.27 H new ATOM 1159 N PHE A 93 7.567 1.246 -1.263 1.00 0.18 N ATOM 1160 CA PHE A 93 7.679 -0.207 -1.443 1.00 0.18 C ATOM 1161 C PHE A 93 9.059 -0.670 -1.007 1.00 0.20 C ATOM 1162 O PHE A 93 10.079 -0.183 -1.495 1.00 0.21 O ATOM 1163 CB PHE A 93 7.436 -0.665 -2.895 1.00 0.19 C ATOM 1164 CG PHE A 93 6.045 -0.437 -3.460 1.00 0.19 C ATOM 1165 CD1 PHE A 93 4.906 -1.143 -3.017 1.00 1.23 C ATOM 1166 CD2 PHE A 93 5.888 0.485 -4.482 1.00 1.19 C ATOM 1167 CE1 PHE A 93 3.666 -0.901 -3.605 1.00 1.23 C ATOM 1168 CE2 PHE A 93 4.656 0.718 -5.056 1.00 1.19 C ATOM 1169 CZ PHE A 93 3.546 0.028 -4.622 1.00 0.22 C ATOM 0 H PHE A 93 7.538 1.788 -2.126 1.00 0.18 H new ATOM 0 HA PHE A 93 6.899 -0.655 -0.827 1.00 0.18 H new ATOM 0 HB2 PHE A 93 8.152 -0.153 -3.537 1.00 0.19 H new ATOM 0 HB3 PHE A 93 7.658 -1.730 -2.957 1.00 0.19 H new ATOM 0 HD1 PHE A 93 4.995 -1.870 -2.223 1.00 1.23 H new ATOM 0 HD2 PHE A 93 6.749 1.033 -4.837 1.00 1.19 H new ATOM 0 HE1 PHE A 93 2.795 -1.441 -3.265 1.00 1.23 H new ATOM 0 HE2 PHE A 93 4.561 1.445 -5.849 1.00 1.19 H new ATOM 0 HZ PHE A 93 2.583 0.212 -5.075 1.00 0.22 H new ATOM 1179 N THR A 94 9.075 -1.610 -0.074 1.00 0.22 N ATOM 1180 CA THR A 94 10.311 -2.159 0.466 1.00 0.26 C ATOM 1181 C THR A 94 11.002 -3.089 -0.529 1.00 0.27 C ATOM 1182 O THR A 94 11.632 -4.070 -0.134 1.00 0.46 O ATOM 1183 CB THR A 94 9.995 -2.920 1.748 1.00 0.32 C ATOM 1184 OG1 THR A 94 9.389 -4.165 1.450 1.00 0.39 O ATOM 1185 CG2 THR A 94 9.073 -2.156 2.675 1.00 0.36 C ATOM 0 H THR A 94 8.231 -2.015 0.331 1.00 0.22 H new ATOM 0 HA THR A 94 10.993 -1.333 0.670 1.00 0.26 H new ATOM 0 HB THR A 94 10.950 -3.064 2.254 1.00 0.32 H new ATOM 0 HG1 THR A 94 8.992 -4.539 2.264 1.00 0.39 H new ATOM 0 HG21 THR A 94 8.885 -2.749 3.570 1.00 0.36 H new ATOM 0 HG22 THR A 94 9.540 -1.212 2.956 1.00 0.36 H new ATOM 0 HG23 THR A 94 8.130 -1.957 2.167 1.00 0.36 H new ATOM 1193 N SER A 95 10.887 -2.782 -1.816 1.00 0.28 N ATOM 1194 CA SER A 95 11.502 -3.591 -2.847 1.00 0.33 C ATOM 1195 C SER A 95 11.875 -2.724 -4.038 1.00 0.36 C ATOM 1196 O SER A 95 11.050 -1.976 -4.559 1.00 0.39 O ATOM 1197 CB SER A 95 10.552 -4.705 -3.289 1.00 0.37 C ATOM 1198 OG SER A 95 11.217 -5.955 -3.336 1.00 1.20 O ATOM 0 H SER A 95 10.371 -1.975 -2.165 1.00 0.28 H new ATOM 0 HA SER A 95 12.406 -4.044 -2.440 1.00 0.33 H new ATOM 0 HB2 SER A 95 9.710 -4.764 -2.599 1.00 0.37 H new ATOM 0 HB3 SER A 95 10.144 -4.470 -4.272 1.00 0.37 H new ATOM 0 HG SER A 95 10.916 -6.456 -4.123 1.00 1.20 H new ATOM 1204 N ASN A 96 13.117 -2.836 -4.468 1.00 0.48 N ATOM 1205 CA ASN A 96 13.598 -2.075 -5.607 1.00 0.60 C ATOM 1206 C ASN A 96 13.435 -2.883 -6.894 1.00 0.63 C ATOM 1207 O ASN A 96 13.897 -2.479 -7.961 1.00 0.84 O ATOM 1208 CB ASN A 96 15.056 -1.683 -5.393 1.00 0.77 C ATOM 1209 CG ASN A 96 15.215 -0.590 -4.353 1.00 1.38 C ATOM 1210 OD1 ASN A 96 16.016 -0.711 -3.427 1.00 2.22 O ATOM 1211 ND2 ASN A 96 14.450 0.487 -4.501 1.00 1.85 N ATOM 0 H ASN A 96 13.814 -3.449 -4.045 1.00 0.48 H new ATOM 0 HA ASN A 96 13.005 -1.165 -5.702 1.00 0.60 H new ATOM 0 HB2 ASN A 96 15.624 -2.561 -5.083 1.00 0.77 H new ATOM 0 HB3 ASN A 96 15.481 -1.346 -6.338 1.00 0.77 H new ATOM 0 HD21 ASN A 96 14.514 1.254 -3.832 1.00 1.85 H new ATOM 0 HD22 ASN A 96 13.799 0.546 -5.284 1.00 1.85 H new ATOM 1218 N ASP A 97 12.761 -4.026 -6.774 1.00 0.53 N ATOM 1219 CA ASP A 97 12.507 -4.911 -7.898 1.00 0.56 C ATOM 1220 C ASP A 97 11.153 -5.581 -7.709 1.00 0.48 C ATOM 1221 O ASP A 97 11.061 -6.792 -7.510 1.00 0.45 O ATOM 1222 CB ASP A 97 13.609 -5.967 -8.014 1.00 0.63 C ATOM 1223 CG ASP A 97 14.932 -5.379 -8.462 1.00 1.38 C ATOM 1224 OD1 ASP A 97 14.916 -4.355 -9.177 1.00 2.14 O ATOM 1225 OD2 ASP A 97 15.986 -5.943 -8.098 1.00 2.07 O ATOM 0 H ASP A 97 12.377 -4.361 -5.890 1.00 0.53 H new ATOM 0 HA ASP A 97 12.501 -4.328 -8.819 1.00 0.56 H new ATOM 0 HB2 ASP A 97 13.741 -6.457 -7.049 1.00 0.63 H new ATOM 0 HB3 ASP A 97 13.298 -6.735 -8.722 1.00 0.63 H new ATOM 1230 N LEU A 98 10.105 -4.768 -7.751 1.00 0.46 N ATOM 1231 CA LEU A 98 8.742 -5.251 -7.562 1.00 0.44 C ATOM 1232 C LEU A 98 8.395 -6.344 -8.564 1.00 0.48 C ATOM 1233 O LEU A 98 7.525 -7.172 -8.307 1.00 0.46 O ATOM 1234 CB LEU A 98 7.747 -4.096 -7.694 1.00 0.51 C ATOM 1235 CG LEU A 98 7.616 -3.214 -6.453 1.00 0.87 C ATOM 1236 CD1 LEU A 98 8.880 -2.394 -6.254 1.00 1.41 C ATOM 1237 CD2 LEU A 98 6.396 -2.310 -6.562 1.00 1.49 C ATOM 0 H LEU A 98 10.174 -3.764 -7.916 1.00 0.46 H new ATOM 0 HA LEU A 98 8.677 -5.674 -6.559 1.00 0.44 H new ATOM 0 HB2 LEU A 98 8.047 -3.472 -8.535 1.00 0.51 H new ATOM 0 HB3 LEU A 98 6.766 -4.506 -7.935 1.00 0.51 H new ATOM 0 HG LEU A 98 7.482 -3.857 -5.583 1.00 0.87 H new ATOM 0 HD11 LEU A 98 8.773 -1.770 -5.367 1.00 1.41 H new ATOM 0 HD12 LEU A 98 9.731 -3.063 -6.127 1.00 1.41 H new ATOM 0 HD13 LEU A 98 9.043 -1.760 -7.125 1.00 1.41 H new ATOM 0 HD21 LEU A 98 6.321 -1.690 -5.668 1.00 1.49 H new ATOM 0 HD22 LEU A 98 6.494 -1.671 -7.439 1.00 1.49 H new ATOM 0 HD23 LEU A 98 5.498 -2.921 -6.656 1.00 1.49 H new ATOM 1249 N LYS A 99 9.079 -6.350 -9.704 1.00 0.55 N ATOM 1250 CA LYS A 99 8.829 -7.356 -10.733 1.00 0.62 C ATOM 1251 C LYS A 99 9.127 -8.764 -10.238 1.00 0.58 C ATOM 1252 O LYS A 99 8.897 -9.749 -10.940 1.00 0.63 O ATOM 1253 CB LYS A 99 9.626 -7.049 -12.002 1.00 0.75 C ATOM 1254 CG LYS A 99 9.139 -5.811 -12.737 1.00 0.84 C ATOM 1255 CD LYS A 99 9.958 -5.544 -13.989 1.00 1.12 C ATOM 1256 CE LYS A 99 9.465 -4.305 -14.719 1.00 1.45 C ATOM 1257 NZ LYS A 99 10.308 -3.980 -15.902 1.00 2.04 N ATOM 0 H LYS A 99 9.806 -5.675 -9.939 1.00 0.55 H new ATOM 0 HA LYS A 99 7.766 -7.313 -10.972 1.00 0.62 H new ATOM 0 HB2 LYS A 99 10.676 -6.917 -11.740 1.00 0.75 H new ATOM 0 HB3 LYS A 99 9.570 -7.906 -12.673 1.00 0.75 H new ATOM 0 HG2 LYS A 99 8.091 -5.937 -13.008 1.00 0.84 H new ATOM 0 HG3 LYS A 99 9.196 -4.948 -12.074 1.00 0.84 H new ATOM 0 HD2 LYS A 99 11.007 -5.417 -13.720 1.00 1.12 H new ATOM 0 HD3 LYS A 99 9.902 -6.406 -14.653 1.00 1.12 H new ATOM 0 HE2 LYS A 99 8.435 -4.460 -15.040 1.00 1.45 H new ATOM 0 HE3 LYS A 99 9.461 -3.458 -14.033 1.00 1.45 H new ATOM 0 HZ1 LYS A 99 9.936 -3.129 -16.370 1.00 2.04 H new ATOM 0 HZ2 LYS A 99 11.286 -3.807 -15.594 1.00 2.04 H new ATOM 0 HZ3 LYS A 99 10.291 -4.777 -16.570 1.00 2.04 H new ATOM 1271 N SER A 100 9.625 -8.843 -9.025 1.00 0.50 N ATOM 1272 CA SER A 100 9.951 -10.118 -8.398 1.00 0.49 C ATOM 1273 C SER A 100 8.742 -10.685 -7.651 1.00 0.42 C ATOM 1274 O SER A 100 8.819 -11.763 -7.061 1.00 0.44 O ATOM 1275 CB SER A 100 11.127 -9.951 -7.435 1.00 0.50 C ATOM 1276 OG SER A 100 11.573 -11.206 -6.950 1.00 1.40 O ATOM 0 H SER A 100 9.818 -8.030 -8.440 1.00 0.50 H new ATOM 0 HA SER A 100 10.231 -10.819 -9.184 1.00 0.49 H new ATOM 0 HB2 SER A 100 11.947 -9.442 -7.942 1.00 0.50 H new ATOM 0 HB3 SER A 100 10.829 -9.320 -6.598 1.00 0.50 H new ATOM 0 HG SER A 100 10.803 -11.796 -6.812 1.00 1.40 H new ATOM 1282 N GLY A 101 7.623 -9.959 -7.686 1.00 0.38 N ATOM 1283 CA GLY A 101 6.420 -10.417 -7.014 1.00 0.35 C ATOM 1284 C GLY A 101 6.131 -9.684 -5.715 1.00 0.31 C ATOM 1285 O GLY A 101 5.056 -9.843 -5.140 1.00 0.31 O ATOM 0 H GLY A 101 7.531 -9.064 -8.167 1.00 0.38 H new ATOM 0 HA2 GLY A 101 5.570 -10.296 -7.686 1.00 0.35 H new ATOM 0 HA3 GLY A 101 6.513 -11.483 -6.807 1.00 0.35 H new ATOM 1289 N ASP A 102 7.084 -8.884 -5.250 1.00 0.32 N ATOM 1290 CA ASP A 102 6.910 -8.134 -4.007 1.00 0.29 C ATOM 1291 C ASP A 102 6.385 -6.728 -4.280 1.00 0.31 C ATOM 1292 O ASP A 102 7.094 -5.884 -4.825 1.00 0.36 O ATOM 1293 CB ASP A 102 8.237 -8.053 -3.252 1.00 0.32 C ATOM 1294 CG ASP A 102 8.660 -9.391 -2.682 1.00 0.71 C ATOM 1295 OD1 ASP A 102 7.790 -10.273 -2.532 1.00 1.44 O ATOM 1296 OD2 ASP A 102 9.862 -9.558 -2.385 1.00 1.42 O ATOM 0 H ASP A 102 7.982 -8.737 -5.711 1.00 0.32 H new ATOM 0 HA ASP A 102 6.177 -8.661 -3.396 1.00 0.29 H new ATOM 0 HB2 ASP A 102 9.013 -7.686 -3.924 1.00 0.32 H new ATOM 0 HB3 ASP A 102 8.148 -7.328 -2.443 1.00 0.32 H new ATOM 1301 N ALA A 103 5.133 -6.490 -3.902 1.00 0.31 N ATOM 1302 CA ALA A 103 4.501 -5.186 -4.109 1.00 0.34 C ATOM 1303 C ALA A 103 4.326 -4.404 -2.801 1.00 0.28 C ATOM 1304 O ALA A 103 3.622 -3.402 -2.768 1.00 0.30 O ATOM 1305 CB ALA A 103 3.148 -5.380 -4.778 1.00 0.43 C ATOM 0 H ALA A 103 4.534 -7.181 -3.451 1.00 0.31 H new ATOM 0 HA ALA A 103 5.160 -4.599 -4.749 1.00 0.34 H new ATOM 0 HB1 ALA A 103 2.676 -4.410 -4.933 1.00 0.43 H new ATOM 0 HB2 ALA A 103 3.285 -5.874 -5.740 1.00 0.43 H new ATOM 0 HB3 ALA A 103 2.512 -5.995 -4.141 1.00 0.43 H new ATOM 1311 N SER A 104 4.923 -4.894 -1.720 1.00 0.25 N ATOM 1312 CA SER A 104 4.801 -4.258 -0.401 1.00 0.21 C ATOM 1313 C SER A 104 5.305 -2.825 -0.311 1.00 0.18 C ATOM 1314 O SER A 104 6.320 -2.468 -0.903 1.00 0.21 O ATOM 1315 CB SER A 104 5.482 -5.114 0.671 1.00 0.22 C ATOM 1316 OG SER A 104 6.890 -5.140 0.491 1.00 1.04 O ATOM 0 H SER A 104 5.501 -5.734 -1.726 1.00 0.25 H new ATOM 0 HA SER A 104 3.727 -4.195 -0.228 1.00 0.21 H new ATOM 0 HB2 SER A 104 5.247 -4.719 1.659 1.00 0.22 H new ATOM 0 HB3 SER A 104 5.089 -6.130 0.632 1.00 0.22 H new ATOM 0 HG SER A 104 7.315 -4.554 1.152 1.00 1.04 H new ATOM 1322 N ILE A 105 4.579 -2.030 0.494 1.00 0.18 N ATOM 1323 CA ILE A 105 4.906 -0.631 0.756 1.00 0.17 C ATOM 1324 C ILE A 105 4.853 -0.336 2.239 1.00 0.17 C ATOM 1325 O ILE A 105 3.874 -0.660 2.912 1.00 0.22 O ATOM 1326 CB ILE A 105 3.939 0.370 0.076 1.00 0.19 C ATOM 1327 CG1 ILE A 105 2.592 -0.275 -0.258 1.00 0.27 C ATOM 1328 CG2 ILE A 105 4.563 1.006 -1.150 1.00 0.31 C ATOM 1329 CD1 ILE A 105 1.493 0.150 0.690 1.00 0.22 C ATOM 0 H ILE A 105 3.743 -2.350 0.982 1.00 0.18 H new ATOM 0 HA ILE A 105 5.907 -0.499 0.346 1.00 0.17 H new ATOM 0 HB ILE A 105 3.748 1.165 0.797 1.00 0.19 H new ATOM 0 HG12 ILE A 105 2.310 -0.011 -1.277 1.00 0.27 H new ATOM 0 HG13 ILE A 105 2.695 -1.360 -0.226 1.00 0.27 H new ATOM 0 HG21 ILE A 105 3.855 1.702 -1.599 1.00 0.31 H new ATOM 0 HG22 ILE A 105 5.466 1.544 -0.861 1.00 0.31 H new ATOM 0 HG23 ILE A 105 4.818 0.231 -1.872 1.00 0.31 H new ATOM 0 HD11 ILE A 105 0.560 -0.337 0.407 1.00 0.22 H new ATOM 0 HD12 ILE A 105 1.759 -0.138 1.707 1.00 0.22 H new ATOM 0 HD13 ILE A 105 1.367 1.232 0.640 1.00 0.22 H new ATOM 1341 N ASN A 106 5.884 0.326 2.738 1.00 0.19 N ATOM 1342 CA ASN A 106 5.910 0.707 4.131 1.00 0.21 C ATOM 1343 C ASN A 106 5.669 2.197 4.229 1.00 0.20 C ATOM 1344 O ASN A 106 6.058 2.944 3.341 1.00 0.21 O ATOM 1345 CB ASN A 106 7.230 0.312 4.799 1.00 0.24 C ATOM 1346 CG ASN A 106 8.426 1.036 4.210 1.00 0.49 C ATOM 1347 OD1 ASN A 106 8.279 1.918 3.364 1.00 1.15 O ATOM 1348 ND2 ASN A 106 9.620 0.661 4.654 1.00 1.06 N ATOM 0 H ASN A 106 6.705 0.606 2.201 1.00 0.19 H new ATOM 0 HA ASN A 106 5.123 0.174 4.664 1.00 0.21 H new ATOM 0 HB2 ASN A 106 7.170 0.526 5.866 1.00 0.24 H new ATOM 0 HB3 ASN A 106 7.376 -0.763 4.698 1.00 0.24 H new ATOM 0 HD21 ASN A 106 10.462 1.109 4.293 1.00 1.06 H new ATOM 0 HD22 ASN A 106 9.695 -0.075 5.356 1.00 1.06 H new ATOM 1355 N VAL A 107 5.003 2.624 5.286 1.00 0.22 N ATOM 1356 CA VAL A 107 4.688 4.018 5.457 1.00 0.22 C ATOM 1357 C VAL A 107 5.681 4.694 6.384 1.00 0.23 C ATOM 1358 O VAL A 107 5.810 4.323 7.542 1.00 0.24 O ATOM 1359 CB VAL A 107 3.284 4.195 6.045 1.00 0.24 C ATOM 1360 CG1 VAL A 107 2.423 5.075 5.156 1.00 0.27 C ATOM 1361 CG2 VAL A 107 2.602 2.857 6.294 1.00 0.27 C ATOM 0 H VAL A 107 4.672 2.019 6.037 1.00 0.22 H new ATOM 0 HA VAL A 107 4.736 4.477 4.470 1.00 0.22 H new ATOM 0 HB VAL A 107 3.402 4.691 7.008 1.00 0.24 H new ATOM 0 HG11 VAL A 107 1.433 5.182 5.599 1.00 0.27 H new ATOM 0 HG12 VAL A 107 2.885 6.057 5.059 1.00 0.27 H new ATOM 0 HG13 VAL A 107 2.332 4.618 4.171 1.00 0.27 H new ATOM 0 HG21 VAL A 107 1.609 3.027 6.711 1.00 0.27 H new ATOM 0 HG22 VAL A 107 2.513 2.314 5.353 1.00 0.27 H new ATOM 0 HG23 VAL A 107 3.195 2.271 6.996 1.00 0.27 H new ATOM 1371 N THR A 108 6.360 5.696 5.865 1.00 0.24 N ATOM 1372 CA THR A 108 7.341 6.448 6.646 1.00 0.26 C ATOM 1373 C THR A 108 6.658 7.528 7.487 1.00 0.27 C ATOM 1374 O THR A 108 5.691 8.151 7.049 1.00 0.27 O ATOM 1375 CB THR A 108 8.412 7.107 5.745 1.00 0.28 C ATOM 1376 OG1 THR A 108 8.000 8.391 5.299 1.00 0.29 O ATOM 1377 CG2 THR A 108 8.790 6.302 4.507 1.00 0.27 C ATOM 0 H THR A 108 6.255 6.015 4.902 1.00 0.24 H new ATOM 0 HA THR A 108 7.834 5.732 7.303 1.00 0.26 H new ATOM 0 HB THR A 108 9.287 7.167 6.393 1.00 0.28 H new ATOM 0 HG1 THR A 108 8.337 8.546 4.392 1.00 0.29 H new ATOM 0 HG21 THR A 108 9.546 6.843 3.938 1.00 0.27 H new ATOM 0 HG22 THR A 108 9.188 5.334 4.810 1.00 0.27 H new ATOM 0 HG23 THR A 108 7.907 6.153 3.886 1.00 0.27 H new ATOM 1385 N ASN A 109 7.180 7.753 8.690 1.00 0.30 N ATOM 1386 CA ASN A 109 6.634 8.774 9.594 1.00 0.33 C ATOM 1387 C ASN A 109 5.113 8.672 9.708 1.00 0.29 C ATOM 1388 O ASN A 109 4.389 9.615 9.388 1.00 0.29 O ATOM 1389 CB ASN A 109 7.032 10.173 9.120 1.00 0.36 C ATOM 1390 CG ASN A 109 8.507 10.453 9.327 1.00 0.78 C ATOM 1391 OD1 ASN A 109 9.232 10.763 8.382 1.00 1.52 O ATOM 1392 ND2 ASN A 109 8.959 10.344 10.571 1.00 1.43 N ATOM 0 H ASN A 109 7.980 7.245 9.066 1.00 0.30 H new ATOM 0 HA ASN A 109 7.056 8.596 10.583 1.00 0.33 H new ATOM 0 HB2 ASN A 109 6.789 10.278 8.063 1.00 0.36 H new ATOM 0 HB3 ASN A 109 6.444 10.917 9.658 1.00 0.36 H new ATOM 0 HD21 ASN A 109 9.943 10.520 10.773 1.00 1.43 H new ATOM 0 HD22 ASN A 109 8.322 10.084 11.324 1.00 1.43 H new ATOM 1399 N LEU A 110 4.643 7.512 10.149 1.00 0.30 N ATOM 1400 CA LEU A 110 3.210 7.252 10.294 1.00 0.34 C ATOM 1401 C LEU A 110 2.433 8.393 10.942 1.00 0.41 C ATOM 1402 O LEU A 110 2.217 8.403 12.154 1.00 1.02 O ATOM 1403 CB LEU A 110 2.972 6.000 11.109 1.00 0.42 C ATOM 1404 CG LEU A 110 3.111 4.686 10.350 1.00 0.37 C ATOM 1405 CD1 LEU A 110 3.340 3.549 11.326 1.00 0.43 C ATOM 1406 CD2 LEU A 110 1.866 4.428 9.510 1.00 0.50 C ATOM 0 H LEU A 110 5.237 6.727 10.416 1.00 0.30 H new ATOM 0 HA LEU A 110 2.842 7.136 9.275 1.00 0.34 H new ATOM 0 HB2 LEU A 110 3.672 5.993 11.944 1.00 0.42 H new ATOM 0 HB3 LEU A 110 1.970 6.049 11.534 1.00 0.42 H new ATOM 0 HG LEU A 110 3.969 4.751 9.681 1.00 0.37 H new ATOM 0 HD11 LEU A 110 3.439 2.613 10.777 1.00 0.43 H new ATOM 0 HD12 LEU A 110 4.252 3.735 11.893 1.00 0.43 H new ATOM 0 HD13 LEU A 110 2.494 3.481 12.010 1.00 0.43 H new ATOM 0 HD21 LEU A 110 1.978 3.486 8.973 1.00 0.50 H new ATOM 0 HD22 LEU A 110 0.993 4.373 10.161 1.00 0.50 H new ATOM 0 HD23 LEU A 110 1.735 5.240 8.795 1.00 0.50 H new ATOM 1418 N GLN A 111 1.968 9.314 10.123 1.00 0.65 N ATOM 1419 CA GLN A 111 1.151 10.425 10.601 1.00 0.68 C ATOM 1420 C GLN A 111 -0.099 9.880 11.294 1.00 0.53 C ATOM 1421 O GLN A 111 -0.620 8.840 10.908 1.00 0.47 O ATOM 1422 CB GLN A 111 0.754 11.347 9.446 1.00 0.76 C ATOM 1423 CG GLN A 111 0.176 12.676 9.904 1.00 1.40 C ATOM 1424 CD GLN A 111 -0.030 13.649 8.760 1.00 1.43 C ATOM 1425 OE1 GLN A 111 0.507 13.463 7.667 1.00 1.23 O ATOM 1426 NE2 GLN A 111 -0.809 14.696 9.006 1.00 2.13 N ATOM 0 H GLN A 111 2.140 9.320 9.118 1.00 0.65 H new ATOM 0 HA GLN A 111 1.736 11.008 11.313 1.00 0.68 H new ATOM 0 HB2 GLN A 111 1.629 11.535 8.824 1.00 0.76 H new ATOM 0 HB3 GLN A 111 0.022 10.838 8.820 1.00 0.76 H new ATOM 0 HG2 GLN A 111 -0.777 12.501 10.403 1.00 1.40 H new ATOM 0 HG3 GLN A 111 0.843 13.123 10.641 1.00 1.40 H new ATOM 0 HE21 GLN A 111 -1.234 14.811 9.926 1.00 2.13 H new ATOM 0 HE22 GLN A 111 -0.983 15.385 8.275 1.00 2.13 H new ATOM 1435 N LEU A 112 -0.585 10.576 12.307 1.00 0.51 N ATOM 1436 CA LEU A 112 -1.779 10.131 13.024 1.00 0.46 C ATOM 1437 C LEU A 112 -2.982 10.038 12.083 1.00 0.35 C ATOM 1438 O LEU A 112 -3.826 9.149 12.217 1.00 0.35 O ATOM 1439 CB LEU A 112 -2.094 11.076 14.184 1.00 0.52 C ATOM 1440 CG LEU A 112 -3.331 10.699 15.003 1.00 1.08 C ATOM 1441 CD1 LEU A 112 -3.163 9.318 15.618 1.00 1.70 C ATOM 1442 CD2 LEU A 112 -3.591 11.737 16.084 1.00 1.64 C ATOM 0 H LEU A 112 -0.179 11.445 12.654 1.00 0.51 H new ATOM 0 HA LEU A 112 -1.577 9.137 13.424 1.00 0.46 H new ATOM 0 HB2 LEU A 112 -1.232 11.111 14.850 1.00 0.52 H new ATOM 0 HB3 LEU A 112 -2.231 12.082 13.787 1.00 0.52 H new ATOM 0 HG LEU A 112 -4.192 10.675 14.335 1.00 1.08 H new ATOM 0 HD11 LEU A 112 -4.052 9.067 16.197 1.00 1.70 H new ATOM 0 HD12 LEU A 112 -3.025 8.581 14.826 1.00 1.70 H new ATOM 0 HD13 LEU A 112 -2.291 9.315 16.272 1.00 1.70 H new ATOM 0 HD21 LEU A 112 -4.474 11.453 16.656 1.00 1.64 H new ATOM 0 HD22 LEU A 112 -2.730 11.793 16.750 1.00 1.64 H new ATOM 0 HD23 LEU A 112 -3.756 12.710 15.622 1.00 1.64 H new ATOM 1454 N SER A 113 -3.061 10.974 11.146 1.00 0.32 N ATOM 1455 CA SER A 113 -4.169 11.029 10.194 1.00 0.33 C ATOM 1456 C SER A 113 -4.100 9.910 9.155 1.00 0.31 C ATOM 1457 O SER A 113 -5.054 9.707 8.404 1.00 0.35 O ATOM 1458 CB SER A 113 -4.181 12.386 9.487 1.00 0.43 C ATOM 1459 OG SER A 113 -4.336 13.444 10.417 1.00 1.32 O ATOM 0 H SER A 113 -2.367 11.711 11.023 1.00 0.32 H new ATOM 0 HA SER A 113 -5.089 10.893 10.762 1.00 0.33 H new ATOM 0 HB2 SER A 113 -3.252 12.519 8.932 1.00 0.43 H new ATOM 0 HB3 SER A 113 -4.993 12.414 8.761 1.00 0.43 H new ATOM 0 HG SER A 113 -4.339 14.300 9.941 1.00 1.32 H new ATOM 1465 N ASP A 114 -2.991 9.176 9.109 1.00 0.30 N ATOM 1466 CA ASP A 114 -2.868 8.083 8.148 1.00 0.32 C ATOM 1467 C ASP A 114 -3.790 6.934 8.541 1.00 0.27 C ATOM 1468 O ASP A 114 -4.117 6.079 7.718 1.00 0.28 O ATOM 1469 CB ASP A 114 -1.420 7.588 8.045 1.00 0.38 C ATOM 1470 CG ASP A 114 -0.964 6.786 9.255 1.00 0.84 C ATOM 1471 OD1 ASP A 114 -1.741 5.938 9.742 1.00 1.53 O ATOM 1472 OD2 ASP A 114 0.179 7.002 9.708 1.00 1.58 O ATOM 0 H ASP A 114 -2.180 9.313 9.712 1.00 0.30 H new ATOM 0 HA ASP A 114 -3.162 8.461 7.169 1.00 0.32 H new ATOM 0 HB2 ASP A 114 -1.318 6.972 7.152 1.00 0.38 H new ATOM 0 HB3 ASP A 114 -0.760 8.446 7.918 1.00 0.38 H new ATOM 1477 N ILE A 115 -4.217 6.933 9.806 1.00 0.24 N ATOM 1478 CA ILE A 115 -5.119 5.908 10.321 1.00 0.21 C ATOM 1479 C ILE A 115 -6.223 5.618 9.308 1.00 0.22 C ATOM 1480 O ILE A 115 -6.769 6.542 8.713 1.00 0.24 O ATOM 1481 CB ILE A 115 -5.736 6.378 11.672 1.00 0.23 C ATOM 1482 CG1 ILE A 115 -5.154 5.578 12.838 1.00 0.33 C ATOM 1483 CG2 ILE A 115 -7.263 6.307 11.684 1.00 0.29 C ATOM 1484 CD1 ILE A 115 -4.552 6.452 13.917 1.00 0.42 C ATOM 0 H ILE A 115 -3.949 7.637 10.494 1.00 0.24 H new ATOM 0 HA ILE A 115 -4.554 4.991 10.489 1.00 0.21 H new ATOM 0 HB ILE A 115 -5.468 7.428 11.789 1.00 0.23 H new ATOM 0 HG12 ILE A 115 -5.939 4.961 13.275 1.00 0.33 H new ATOM 0 HG13 ILE A 115 -4.389 4.900 12.459 1.00 0.33 H new ATOM 0 HG21 ILE A 115 -7.635 6.647 12.650 1.00 0.29 H new ATOM 0 HG22 ILE A 115 -7.663 6.945 10.896 1.00 0.29 H new ATOM 0 HG23 ILE A 115 -7.581 5.278 11.514 1.00 0.29 H new ATOM 0 HD11 ILE A 115 -4.157 5.824 14.715 1.00 0.42 H new ATOM 0 HD12 ILE A 115 -3.746 7.050 13.493 1.00 0.42 H new ATOM 0 HD13 ILE A 115 -5.320 7.112 14.321 1.00 0.42 H new ATOM 1496 N GLY A 116 -6.556 4.341 9.114 1.00 0.22 N ATOM 1497 CA GLY A 116 -7.603 4.004 8.170 1.00 0.24 C ATOM 1498 C GLY A 116 -7.316 2.758 7.355 1.00 0.23 C ATOM 1499 O GLY A 116 -6.171 2.318 7.246 1.00 0.22 O ATOM 0 H GLY A 116 -6.125 3.547 9.588 1.00 0.22 H new ATOM 0 HA2 GLY A 116 -8.538 3.864 8.713 1.00 0.24 H new ATOM 0 HA3 GLY A 116 -7.752 4.844 7.492 1.00 0.24 H new ATOM 1503 N THR A 117 -8.381 2.193 6.793 1.00 0.24 N ATOM 1504 CA THR A 117 -8.301 0.991 5.971 1.00 0.24 C ATOM 1505 C THR A 117 -7.411 1.190 4.746 1.00 0.23 C ATOM 1506 O THR A 117 -7.509 2.201 4.056 1.00 0.25 O ATOM 1507 CB THR A 117 -9.704 0.568 5.525 1.00 0.28 C ATOM 1508 OG1 THR A 117 -10.540 0.347 6.647 1.00 0.31 O ATOM 1509 CG2 THR A 117 -9.717 -0.696 4.689 1.00 0.31 C ATOM 0 H THR A 117 -9.328 2.558 6.896 1.00 0.24 H new ATOM 0 HA THR A 117 -7.853 0.208 6.583 1.00 0.24 H new ATOM 0 HB THR A 117 -10.070 1.392 4.912 1.00 0.28 H new ATOM 0 HG1 THR A 117 -11.432 0.079 6.343 1.00 0.31 H new ATOM 0 HG21 THR A 117 -10.743 -0.936 4.409 1.00 0.31 H new ATOM 0 HG22 THR A 117 -9.121 -0.543 3.789 1.00 0.31 H new ATOM 0 HG23 THR A 117 -9.297 -1.519 5.267 1.00 0.31 H new ATOM 1517 N TYR A 118 -6.584 0.194 4.460 1.00 0.22 N ATOM 1518 CA TYR A 118 -5.711 0.217 3.291 1.00 0.23 C ATOM 1519 C TYR A 118 -6.039 -0.966 2.390 1.00 0.23 C ATOM 1520 O TYR A 118 -6.161 -2.095 2.860 1.00 0.24 O ATOM 1521 CB TYR A 118 -4.232 0.169 3.688 1.00 0.24 C ATOM 1522 CG TYR A 118 -3.713 1.473 4.237 1.00 0.26 C ATOM 1523 CD1 TYR A 118 -4.140 1.940 5.468 1.00 1.23 C ATOM 1524 CD2 TYR A 118 -2.802 2.239 3.523 1.00 1.18 C ATOM 1525 CE1 TYR A 118 -3.676 3.135 5.977 1.00 1.24 C ATOM 1526 CE2 TYR A 118 -2.329 3.435 4.025 1.00 1.20 C ATOM 1527 CZ TYR A 118 -2.770 3.879 5.254 1.00 0.39 C ATOM 1528 OH TYR A 118 -2.304 5.071 5.759 1.00 0.47 O ATOM 0 H TYR A 118 -6.498 -0.649 5.027 1.00 0.22 H new ATOM 0 HA TYR A 118 -5.883 1.153 2.759 1.00 0.23 H new ATOM 0 HB2 TYR A 118 -4.090 -0.612 4.435 1.00 0.24 H new ATOM 0 HB3 TYR A 118 -3.639 -0.111 2.817 1.00 0.24 H new ATOM 0 HD1 TYR A 118 -4.848 1.359 6.040 1.00 1.23 H new ATOM 0 HD2 TYR A 118 -2.458 1.894 2.559 1.00 1.18 H new ATOM 0 HE1 TYR A 118 -4.022 3.486 6.938 1.00 1.24 H new ATOM 0 HE2 TYR A 118 -1.618 4.019 3.459 1.00 1.20 H new ATOM 0 HH TYR A 118 -2.868 5.351 6.510 1.00 0.47 H new ATOM 1538 N GLN A 119 -6.191 -0.709 1.099 1.00 0.23 N ATOM 1539 CA GLN A 119 -6.512 -1.771 0.153 1.00 0.24 C ATOM 1540 C GLN A 119 -5.429 -1.891 -0.909 1.00 0.23 C ATOM 1541 O GLN A 119 -5.239 -0.980 -1.708 1.00 0.24 O ATOM 1542 CB GLN A 119 -7.859 -1.490 -0.515 1.00 0.28 C ATOM 1543 CG GLN A 119 -8.503 -2.719 -1.131 1.00 0.37 C ATOM 1544 CD GLN A 119 -8.994 -3.703 -0.087 1.00 0.59 C ATOM 1545 OE1 GLN A 119 -9.599 -3.315 0.912 1.00 1.03 O ATOM 1546 NE2 GLN A 119 -8.735 -4.985 -0.313 1.00 1.16 N ATOM 0 H GLN A 119 -6.098 0.218 0.683 1.00 0.23 H new ATOM 0 HA GLN A 119 -6.570 -2.711 0.701 1.00 0.24 H new ATOM 0 HB2 GLN A 119 -8.539 -1.066 0.224 1.00 0.28 H new ATOM 0 HB3 GLN A 119 -7.720 -0.736 -1.290 1.00 0.28 H new ATOM 0 HG2 GLN A 119 -9.340 -2.411 -1.757 1.00 0.37 H new ATOM 0 HG3 GLN A 119 -7.783 -3.215 -1.782 1.00 0.37 H new ATOM 0 HE21 GLN A 119 -8.230 -5.263 -1.155 1.00 1.16 H new ATOM 0 HE22 GLN A 119 -9.041 -5.693 0.355 1.00 1.16 H new ATOM 1555 N CYS A 120 -4.732 -3.022 -0.926 1.00 0.24 N ATOM 1556 CA CYS A 120 -3.676 -3.245 -1.906 1.00 0.24 C ATOM 1557 C CYS A 120 -4.199 -4.079 -3.064 1.00 0.22 C ATOM 1558 O CYS A 120 -4.597 -5.230 -2.885 1.00 0.25 O ATOM 1559 CB CYS A 120 -2.483 -3.946 -1.252 1.00 0.30 C ATOM 1560 SG CYS A 120 -1.086 -4.278 -2.377 1.00 1.03 S ATOM 0 H CYS A 120 -4.878 -3.794 -0.276 1.00 0.24 H new ATOM 0 HA CYS A 120 -3.349 -2.278 -2.288 1.00 0.24 H new ATOM 0 HB2 CYS A 120 -2.128 -3.333 -0.424 1.00 0.30 H new ATOM 0 HB3 CYS A 120 -2.822 -4.891 -0.827 1.00 0.30 H new ATOM 1565 N LYS A 121 -4.202 -3.489 -4.253 1.00 0.20 N ATOM 1566 CA LYS A 121 -4.684 -4.179 -5.437 1.00 0.21 C ATOM 1567 C LYS A 121 -3.584 -4.309 -6.480 1.00 0.21 C ATOM 1568 O LYS A 121 -3.237 -3.339 -7.147 1.00 0.22 O ATOM 1569 CB LYS A 121 -5.865 -3.418 -6.043 1.00 0.25 C ATOM 1570 CG LYS A 121 -7.130 -3.475 -5.206 1.00 0.29 C ATOM 1571 CD LYS A 121 -8.262 -2.701 -5.862 1.00 0.35 C ATOM 1572 CE LYS A 121 -9.532 -2.754 -5.029 1.00 1.28 C ATOM 1573 NZ LYS A 121 -10.502 -1.697 -5.427 1.00 1.76 N ATOM 0 H LYS A 121 -3.877 -2.537 -4.420 1.00 0.20 H new ATOM 0 HA LYS A 121 -5.002 -5.177 -5.137 1.00 0.21 H new ATOM 0 HB2 LYS A 121 -5.580 -2.375 -6.181 1.00 0.25 H new ATOM 0 HB3 LYS A 121 -6.077 -3.824 -7.032 1.00 0.25 H new ATOM 0 HG2 LYS A 121 -7.430 -4.514 -5.067 1.00 0.29 H new ATOM 0 HG3 LYS A 121 -6.932 -3.065 -4.216 1.00 0.29 H new ATOM 0 HD2 LYS A 121 -7.961 -1.663 -6.001 1.00 0.35 H new ATOM 0 HD3 LYS A 121 -8.458 -3.112 -6.852 1.00 0.35 H new ATOM 0 HE2 LYS A 121 -9.997 -3.734 -5.139 1.00 1.28 H new ATOM 0 HE3 LYS A 121 -9.280 -2.637 -3.975 1.00 1.28 H new ATOM 0 HZ1 LYS A 121 -11.058 -1.406 -4.598 1.00 1.76 H new ATOM 0 HZ2 LYS A 121 -9.986 -0.876 -5.803 1.00 1.76 H new ATOM 0 HZ3 LYS A 121 -11.140 -2.069 -6.159 1.00 1.76 H new ATOM 1587 N VAL A 122 -3.052 -5.512 -6.642 1.00 0.22 N ATOM 1588 CA VAL A 122 -2.011 -5.735 -7.630 1.00 0.24 C ATOM 1589 C VAL A 122 -2.641 -6.154 -8.947 1.00 0.24 C ATOM 1590 O VAL A 122 -3.109 -7.285 -9.082 1.00 0.25 O ATOM 1591 CB VAL A 122 -1.014 -6.817 -7.170 1.00 0.28 C ATOM 1592 CG1 VAL A 122 0.110 -6.983 -8.183 1.00 1.15 C ATOM 1593 CG2 VAL A 122 -0.457 -6.475 -5.796 1.00 1.18 C ATOM 0 H VAL A 122 -3.321 -6.339 -6.108 1.00 0.22 H new ATOM 0 HA VAL A 122 -1.462 -4.802 -7.756 1.00 0.24 H new ATOM 0 HB VAL A 122 -1.545 -7.766 -7.099 1.00 0.28 H new ATOM 0 HG11 VAL A 122 0.801 -7.752 -7.837 1.00 1.15 H new ATOM 0 HG12 VAL A 122 -0.308 -7.278 -9.145 1.00 1.15 H new ATOM 0 HG13 VAL A 122 0.643 -6.039 -8.293 1.00 1.15 H new ATOM 0 HG21 VAL A 122 0.245 -7.249 -5.485 1.00 1.18 H new ATOM 0 HG22 VAL A 122 0.057 -5.515 -5.840 1.00 1.18 H new ATOM 0 HG23 VAL A 122 -1.274 -6.416 -5.077 1.00 1.18 H new ATOM 1603 N LYS A 123 -2.669 -5.244 -9.918 1.00 0.26 N ATOM 1604 CA LYS A 123 -3.271 -5.569 -11.206 1.00 0.28 C ATOM 1605 C LYS A 123 -2.244 -6.145 -12.172 1.00 0.29 C ATOM 1606 O LYS A 123 -1.304 -5.464 -12.575 1.00 0.33 O ATOM 1607 CB LYS A 123 -3.949 -4.338 -11.814 1.00 0.32 C ATOM 1608 CG LYS A 123 -4.602 -4.599 -13.162 1.00 0.37 C ATOM 1609 CD LYS A 123 -5.257 -3.343 -13.713 1.00 0.48 C ATOM 1610 CE LYS A 123 -6.080 -3.641 -14.956 1.00 0.98 C ATOM 1611 NZ LYS A 123 -7.299 -4.437 -14.640 1.00 1.62 N ATOM 0 H LYS A 123 -2.292 -4.299 -9.841 1.00 0.26 H new ATOM 0 HA LYS A 123 -4.029 -6.332 -11.032 1.00 0.28 H new ATOM 0 HB2 LYS A 123 -4.705 -3.971 -11.120 1.00 0.32 H new ATOM 0 HB3 LYS A 123 -3.209 -3.546 -11.927 1.00 0.32 H new ATOM 0 HG2 LYS A 123 -3.853 -4.960 -13.867 1.00 0.37 H new ATOM 0 HG3 LYS A 123 -5.349 -5.386 -13.060 1.00 0.37 H new ATOM 0 HD2 LYS A 123 -5.897 -2.901 -12.950 1.00 0.48 H new ATOM 0 HD3 LYS A 123 -4.490 -2.606 -13.952 1.00 0.48 H new ATOM 0 HE2 LYS A 123 -6.372 -2.704 -15.431 1.00 0.98 H new ATOM 0 HE3 LYS A 123 -5.467 -4.186 -15.675 1.00 0.98 H new ATOM 0 HZ1 LYS A 123 -7.983 -4.349 -15.419 1.00 1.62 H new ATOM 0 HZ2 LYS A 123 -7.039 -5.437 -14.519 1.00 1.62 H new ATOM 0 HZ3 LYS A 123 -7.727 -4.082 -13.761 1.00 1.62 H new ATOM 1625 N LYS A 124 -2.438 -7.397 -12.560 1.00 0.29 N ATOM 1626 CA LYS A 124 -1.535 -8.037 -13.502 1.00 0.31 C ATOM 1627 C LYS A 124 -2.320 -9.000 -14.383 1.00 0.32 C ATOM 1628 O LYS A 124 -2.670 -10.099 -13.956 1.00 0.35 O ATOM 1629 CB LYS A 124 -0.436 -8.777 -12.736 1.00 0.38 C ATOM 1630 CG LYS A 124 0.614 -9.417 -13.624 1.00 1.18 C ATOM 1631 CD LYS A 124 1.802 -9.915 -12.811 1.00 1.17 C ATOM 1632 CE LYS A 124 1.439 -11.111 -11.942 1.00 2.14 C ATOM 1633 NZ LYS A 124 0.565 -10.734 -10.799 1.00 2.84 N ATOM 0 H LYS A 124 -3.207 -7.985 -12.239 1.00 0.29 H new ATOM 0 HA LYS A 124 -1.068 -7.284 -14.137 1.00 0.31 H new ATOM 0 HB2 LYS A 124 0.054 -8.078 -12.058 1.00 0.38 H new ATOM 0 HB3 LYS A 124 -0.895 -9.550 -12.119 1.00 0.38 H new ATOM 0 HG2 LYS A 124 0.171 -10.249 -14.171 1.00 1.18 H new ATOM 0 HG3 LYS A 124 0.956 -8.694 -14.365 1.00 1.18 H new ATOM 0 HD2 LYS A 124 2.613 -10.190 -13.486 1.00 1.17 H new ATOM 0 HD3 LYS A 124 2.173 -9.108 -12.180 1.00 1.17 H new ATOM 0 HE2 LYS A 124 0.933 -11.860 -12.551 1.00 2.14 H new ATOM 0 HE3 LYS A 124 2.351 -11.572 -11.563 1.00 2.14 H new ATOM 0 HZ1 LYS A 124 0.791 -11.331 -9.978 1.00 2.84 H new ATOM 0 HZ2 LYS A 124 0.723 -9.735 -10.556 1.00 2.84 H new ATOM 0 HZ3 LYS A 124 -0.431 -10.872 -11.063 1.00 2.84 H new ATOM 1647 N ALA A 125 -2.600 -8.576 -15.613 1.00 0.35 N ATOM 1648 CA ALA A 125 -3.356 -9.395 -16.557 1.00 0.39 C ATOM 1649 C ALA A 125 -2.774 -10.800 -16.689 1.00 0.40 C ATOM 1650 O ALA A 125 -1.562 -10.962 -16.825 1.00 0.40 O ATOM 1651 CB ALA A 125 -3.430 -8.719 -17.918 1.00 0.44 C ATOM 0 H ALA A 125 -2.314 -7.668 -15.980 1.00 0.35 H new ATOM 0 HA ALA A 125 -4.366 -9.496 -16.159 1.00 0.39 H new ATOM 0 HB1 ALA A 125 -3.997 -9.346 -18.605 1.00 0.44 H new ATOM 0 HB2 ALA A 125 -3.923 -7.752 -17.818 1.00 0.44 H new ATOM 0 HB3 ALA A 125 -2.422 -8.574 -18.307 1.00 0.44 H new ATOM 1657 N PRO A 126 -3.625 -11.842 -16.662 1.00 0.44 N ATOM 1658 CA PRO A 126 -5.064 -11.730 -16.505 1.00 0.48 C ATOM 1659 C PRO A 126 -5.488 -12.018 -15.071 1.00 0.49 C ATOM 1660 O PRO A 126 -6.402 -12.809 -14.834 1.00 0.56 O ATOM 1661 CB PRO A 126 -5.549 -12.840 -17.429 1.00 0.56 C ATOM 1662 CG PRO A 126 -4.504 -13.911 -17.312 1.00 0.55 C ATOM 1663 CD PRO A 126 -3.244 -13.252 -16.781 1.00 0.48 C ATOM 0 HA PRO A 126 -5.457 -10.739 -16.731 1.00 0.48 H new ATOM 0 HB2 PRO A 126 -6.530 -13.208 -17.127 1.00 0.56 H new ATOM 0 HB3 PRO A 126 -5.643 -12.488 -18.456 1.00 0.56 H new ATOM 0 HG2 PRO A 126 -4.837 -14.702 -16.640 1.00 0.55 H new ATOM 0 HG3 PRO A 126 -4.317 -14.374 -18.281 1.00 0.55 H new ATOM 0 HD2 PRO A 126 -2.946 -13.671 -15.820 1.00 0.48 H new ATOM 0 HD3 PRO A 126 -2.403 -13.385 -17.461 1.00 0.48 H new ATOM 1671 N GLY A 127 -4.814 -11.387 -14.113 1.00 0.45 N ATOM 1672 CA GLY A 127 -5.138 -11.614 -12.733 1.00 0.48 C ATOM 1673 C GLY A 127 -4.966 -10.392 -11.863 1.00 0.42 C ATOM 1674 O GLY A 127 -3.855 -10.026 -11.477 1.00 0.39 O ATOM 0 H GLY A 127 -4.054 -10.727 -14.276 1.00 0.45 H new ATOM 0 HA2 GLY A 127 -6.170 -11.958 -12.662 1.00 0.48 H new ATOM 0 HA3 GLY A 127 -4.508 -12.416 -12.348 1.00 0.48 H new ATOM 1678 N VAL A 128 -6.088 -9.791 -11.538 1.00 0.44 N ATOM 1679 CA VAL A 128 -6.128 -8.623 -10.674 1.00 0.41 C ATOM 1680 C VAL A 128 -6.202 -9.059 -9.210 1.00 0.43 C ATOM 1681 O VAL A 128 -7.135 -9.756 -8.811 1.00 0.60 O ATOM 1682 CB VAL A 128 -7.339 -7.731 -10.998 1.00 0.44 C ATOM 1683 CG1 VAL A 128 -7.087 -6.917 -12.259 1.00 1.12 C ATOM 1684 CG2 VAL A 128 -8.604 -8.568 -11.137 1.00 1.22 C ATOM 0 H VAL A 128 -7.005 -10.096 -11.865 1.00 0.44 H new ATOM 0 HA VAL A 128 -5.217 -8.049 -10.846 1.00 0.41 H new ATOM 0 HB VAL A 128 -7.482 -7.037 -10.170 1.00 0.44 H new ATOM 0 HG11 VAL A 128 -7.956 -6.294 -12.469 1.00 1.12 H new ATOM 0 HG12 VAL A 128 -6.212 -6.283 -12.114 1.00 1.12 H new ATOM 0 HG13 VAL A 128 -6.912 -7.591 -13.098 1.00 1.12 H new ATOM 0 HG21 VAL A 128 -9.448 -7.917 -11.366 1.00 1.22 H new ATOM 0 HG22 VAL A 128 -8.475 -9.292 -11.942 1.00 1.22 H new ATOM 0 HG23 VAL A 128 -8.796 -9.095 -10.203 1.00 1.22 H new ATOM 1694 N ALA A 129 -5.211 -8.663 -8.418 1.00 0.38 N ATOM 1695 CA ALA A 129 -5.163 -9.034 -7.004 1.00 0.43 C ATOM 1696 C ALA A 129 -5.619 -7.889 -6.099 1.00 0.34 C ATOM 1697 O ALA A 129 -5.365 -6.723 -6.390 1.00 0.36 O ATOM 1698 CB ALA A 129 -3.757 -9.483 -6.634 1.00 0.57 C ATOM 0 H ALA A 129 -4.430 -8.086 -8.729 1.00 0.38 H new ATOM 0 HA ALA A 129 -5.856 -9.861 -6.850 1.00 0.43 H new ATOM 0 HB1 ALA A 129 -3.728 -9.758 -5.580 1.00 0.57 H new ATOM 0 HB2 ALA A 129 -3.479 -10.344 -7.241 1.00 0.57 H new ATOM 0 HB3 ALA A 129 -3.055 -8.669 -6.816 1.00 0.57 H new ATOM 1704 N ASN A 130 -6.295 -8.236 -4.999 1.00 0.32 N ATOM 1705 CA ASN A 130 -6.787 -7.240 -4.043 1.00 0.30 C ATOM 1706 C ASN A 130 -6.750 -7.784 -2.611 1.00 0.28 C ATOM 1707 O ASN A 130 -7.193 -8.904 -2.357 1.00 0.30 O ATOM 1708 CB ASN A 130 -8.215 -6.826 -4.404 1.00 0.38 C ATOM 1709 CG ASN A 130 -8.742 -5.730 -3.501 1.00 1.14 C ATOM 1710 OD1 ASN A 130 -7.982 -5.100 -2.770 1.00 2.03 O ATOM 1711 ND2 ASN A 130 -10.048 -5.496 -3.550 1.00 1.36 N ATOM 0 H ASN A 130 -6.514 -9.200 -4.749 1.00 0.32 H new ATOM 0 HA ASN A 130 -6.133 -6.369 -4.096 1.00 0.30 H new ATOM 0 HB2 ASN A 130 -8.241 -6.485 -5.439 1.00 0.38 H new ATOM 0 HB3 ASN A 130 -8.870 -7.695 -4.338 1.00 0.38 H new ATOM 0 HD21 ASN A 130 -10.458 -4.768 -2.965 1.00 1.36 H new ATOM 0 HD22 ASN A 130 -10.641 -6.044 -4.173 1.00 1.36 H new ATOM 1718 N LYS A 131 -6.208 -6.994 -1.675 1.00 0.27 N ATOM 1719 CA LYS A 131 -6.111 -7.422 -0.276 1.00 0.28 C ATOM 1720 C LYS A 131 -6.360 -6.261 0.692 1.00 0.26 C ATOM 1721 O LYS A 131 -6.259 -5.093 0.316 1.00 0.28 O ATOM 1722 CB LYS A 131 -4.735 -8.011 0.010 1.00 0.34 C ATOM 1723 CG LYS A 131 -4.131 -8.799 -1.138 1.00 0.99 C ATOM 1724 CD LYS A 131 -2.652 -8.508 -1.258 1.00 1.19 C ATOM 1725 CE LYS A 131 -2.080 -9.045 -2.555 1.00 2.18 C ATOM 1726 NZ LYS A 131 -2.466 -8.205 -3.721 1.00 2.95 N ATOM 0 H LYS A 131 -5.833 -6.063 -1.860 1.00 0.27 H new ATOM 0 HA LYS A 131 -6.880 -8.179 -0.122 1.00 0.28 H new ATOM 0 HB2 LYS A 131 -4.056 -7.200 0.273 1.00 0.34 H new ATOM 0 HB3 LYS A 131 -4.807 -8.662 0.881 1.00 0.34 H new ATOM 0 HG2 LYS A 131 -4.286 -9.866 -0.976 1.00 0.99 H new ATOM 0 HG3 LYS A 131 -4.635 -8.541 -2.069 1.00 0.99 H new ATOM 0 HD2 LYS A 131 -2.487 -7.432 -1.205 1.00 1.19 H new ATOM 0 HD3 LYS A 131 -2.124 -8.953 -0.415 1.00 1.19 H new ATOM 0 HE2 LYS A 131 -0.993 -9.088 -2.482 1.00 2.18 H new ATOM 0 HE3 LYS A 131 -2.430 -10.066 -2.711 1.00 2.18 H new ATOM 0 HZ1 LYS A 131 -1.876 -8.455 -4.540 1.00 2.95 H new ATOM 0 HZ2 LYS A 131 -3.467 -8.370 -3.952 1.00 2.95 H new ATOM 0 HZ3 LYS A 131 -2.326 -7.201 -3.487 1.00 2.95 H new ATOM 1740 N LYS A 132 -6.697 -6.596 1.943 1.00 0.26 N ATOM 1741 CA LYS A 132 -6.977 -5.587 2.969 1.00 0.26 C ATOM 1742 C LYS A 132 -5.822 -5.373 3.940 1.00 0.24 C ATOM 1743 O LYS A 132 -5.168 -6.319 4.377 1.00 0.24 O ATOM 1744 CB LYS A 132 -8.188 -5.986 3.796 1.00 0.30 C ATOM 1745 CG LYS A 132 -9.499 -5.951 3.028 1.00 0.89 C ATOM 1746 CD LYS A 132 -10.669 -6.358 3.907 1.00 1.19 C ATOM 1747 CE LYS A 132 -11.981 -6.323 3.140 1.00 1.83 C ATOM 1748 NZ LYS A 132 -12.953 -7.328 3.653 1.00 2.26 N ATOM 0 H LYS A 132 -6.782 -7.559 2.268 1.00 0.26 H new ATOM 0 HA LYS A 132 -7.151 -4.662 2.419 1.00 0.26 H new ATOM 0 HB2 LYS A 132 -8.034 -6.992 4.186 1.00 0.30 H new ATOM 0 HB3 LYS A 132 -8.264 -5.320 4.655 1.00 0.30 H new ATOM 0 HG2 LYS A 132 -9.667 -4.947 2.638 1.00 0.89 H new ATOM 0 HG3 LYS A 132 -9.437 -6.620 2.170 1.00 0.89 H new ATOM 0 HD2 LYS A 132 -10.501 -7.362 4.296 1.00 1.19 H new ATOM 0 HD3 LYS A 132 -10.730 -5.689 4.766 1.00 1.19 H new ATOM 0 HE2 LYS A 132 -12.417 -5.327 3.213 1.00 1.83 H new ATOM 0 HE3 LYS A 132 -11.789 -6.511 2.084 1.00 1.83 H new ATOM 0 HZ1 LYS A 132 -13.834 -7.271 3.103 1.00 2.26 H new ATOM 0 HZ2 LYS A 132 -12.548 -8.281 3.560 1.00 2.26 H new ATOM 0 HZ3 LYS A 132 -13.157 -7.134 4.654 1.00 2.26 H new ATOM 1762 N ILE A 133 -5.626 -4.114 4.311 1.00 0.23 N ATOM 1763 CA ILE A 133 -4.609 -3.734 5.280 1.00 0.22 C ATOM 1764 C ILE A 133 -5.146 -2.602 6.162 1.00 0.22 C ATOM 1765 O ILE A 133 -5.356 -1.501 5.681 1.00 0.28 O ATOM 1766 CB ILE A 133 -3.303 -3.288 4.579 1.00 0.22 C ATOM 1767 CG1 ILE A 133 -2.607 -4.500 3.955 1.00 0.25 C ATOM 1768 CG2 ILE A 133 -2.366 -2.573 5.551 1.00 0.22 C ATOM 1769 CD1 ILE A 133 -2.867 -4.653 2.472 1.00 0.27 C ATOM 0 H ILE A 133 -6.167 -3.329 3.948 1.00 0.23 H new ATOM 0 HA ILE A 133 -4.376 -4.603 5.896 1.00 0.22 H new ATOM 0 HB ILE A 133 -3.562 -2.581 3.791 1.00 0.22 H new ATOM 0 HG12 ILE A 133 -1.533 -4.416 4.120 1.00 0.25 H new ATOM 0 HG13 ILE A 133 -2.939 -5.403 4.468 1.00 0.25 H new ATOM 0 HG21 ILE A 133 -1.458 -2.273 5.027 1.00 0.22 H new ATOM 0 HG22 ILE A 133 -2.863 -1.689 5.952 1.00 0.22 H new ATOM 0 HG23 ILE A 133 -2.107 -3.246 6.369 1.00 0.22 H new ATOM 0 HD11 ILE A 133 -2.342 -5.533 2.099 1.00 0.27 H new ATOM 0 HD12 ILE A 133 -3.937 -4.769 2.300 1.00 0.27 H new ATOM 0 HD13 ILE A 133 -2.509 -3.767 1.947 1.00 0.27 H new ATOM 1781 N HIS A 134 -5.368 -2.861 7.445 1.00 0.21 N ATOM 1782 CA HIS A 134 -5.884 -1.820 8.337 1.00 0.21 C ATOM 1783 C HIS A 134 -4.761 -1.230 9.176 1.00 0.20 C ATOM 1784 O HIS A 134 -4.165 -1.918 10.000 1.00 0.21 O ATOM 1785 CB HIS A 134 -6.976 -2.387 9.246 1.00 0.25 C ATOM 1786 CG HIS A 134 -8.226 -2.763 8.513 1.00 0.31 C ATOM 1787 ND1 HIS A 134 -9.290 -3.400 9.116 1.00 0.47 N ATOM 1788 CD2 HIS A 134 -8.578 -2.593 7.216 1.00 0.41 C ATOM 1789 CE1 HIS A 134 -10.242 -3.606 8.222 1.00 0.55 C ATOM 1790 NE2 HIS A 134 -9.835 -3.125 7.062 1.00 0.49 N ATOM 0 H HIS A 134 -5.204 -3.765 7.889 1.00 0.21 H new ATOM 0 HA HIS A 134 -6.314 -1.028 7.724 1.00 0.21 H new ATOM 0 HB2 HIS A 134 -6.588 -3.265 9.762 1.00 0.25 H new ATOM 0 HB3 HIS A 134 -7.220 -1.650 10.011 1.00 0.25 H new ATOM 0 HD2 HIS A 134 -7.981 -2.126 6.446 1.00 0.41 H new ATOM 0 HE1 HIS A 134 -11.191 -4.086 8.409 1.00 0.55 H new ATOM 0 HE2 HIS A 134 -10.368 -3.145 6.192 1.00 0.49 H new ATOM 1799 N LEU A 135 -4.464 0.048 8.955 1.00 0.19 N ATOM 1800 CA LEU A 135 -3.394 0.705 9.693 1.00 0.19 C ATOM 1801 C LEU A 135 -3.903 1.481 10.899 1.00 0.19 C ATOM 1802 O LEU A 135 -4.878 2.227 10.813 1.00 0.21 O ATOM 1803 CB LEU A 135 -2.605 1.638 8.778 1.00 0.21 C ATOM 1804 CG LEU A 135 -1.459 0.975 8.017 1.00 0.69 C ATOM 1805 CD1 LEU A 135 -0.840 1.951 7.028 1.00 1.52 C ATOM 1806 CD2 LEU A 135 -0.411 0.460 8.993 1.00 1.32 C ATOM 0 H LEU A 135 -4.944 0.642 8.279 1.00 0.19 H new ATOM 0 HA LEU A 135 -2.742 -0.086 10.063 1.00 0.19 H new ATOM 0 HB2 LEU A 135 -3.291 2.082 8.057 1.00 0.21 H new ATOM 0 HB3 LEU A 135 -2.200 2.454 9.377 1.00 0.21 H new ATOM 0 HG LEU A 135 -1.855 0.129 7.455 1.00 0.69 H new ATOM 0 HD11 LEU A 135 -0.025 1.461 6.495 1.00 1.52 H new ATOM 0 HD12 LEU A 135 -1.597 2.275 6.314 1.00 1.52 H new ATOM 0 HD13 LEU A 135 -0.453 2.817 7.565 1.00 1.52 H new ATOM 0 HD21 LEU A 135 0.401 -0.011 8.440 1.00 1.32 H new ATOM 0 HD22 LEU A 135 -0.018 1.292 9.577 1.00 1.32 H new ATOM 0 HD23 LEU A 135 -0.865 -0.271 9.662 1.00 1.32 H new ATOM 1818 N VAL A 136 -3.201 1.323 12.014 1.00 0.21 N ATOM 1819 CA VAL A 136 -3.533 2.028 13.240 1.00 0.23 C ATOM 1820 C VAL A 136 -2.278 2.691 13.792 1.00 0.21 C ATOM 1821 O VAL A 136 -1.233 2.051 13.910 1.00 0.23 O ATOM 1822 CB VAL A 136 -4.118 1.082 14.304 1.00 0.27 C ATOM 1823 CG1 VAL A 136 -4.485 1.849 15.568 1.00 0.32 C ATOM 1824 CG2 VAL A 136 -5.321 0.332 13.750 1.00 0.31 C ATOM 0 H VAL A 136 -2.392 0.707 12.092 1.00 0.21 H new ATOM 0 HA VAL A 136 -4.290 2.776 13.004 1.00 0.23 H new ATOM 0 HB VAL A 136 -3.355 0.350 14.568 1.00 0.27 H new ATOM 0 HG11 VAL A 136 -4.896 1.160 16.305 1.00 0.32 H new ATOM 0 HG12 VAL A 136 -3.594 2.327 15.975 1.00 0.32 H new ATOM 0 HG13 VAL A 136 -5.228 2.610 15.329 1.00 0.32 H new ATOM 0 HG21 VAL A 136 -5.721 -0.332 14.517 1.00 0.31 H new ATOM 0 HG22 VAL A 136 -6.089 1.046 13.452 1.00 0.31 H new ATOM 0 HG23 VAL A 136 -5.016 -0.256 12.884 1.00 0.31 H new ATOM 1834 N VAL A 137 -2.373 3.972 14.112 1.00 0.21 N ATOM 1835 CA VAL A 137 -1.229 4.706 14.628 1.00 0.21 C ATOM 1836 C VAL A 137 -1.284 4.855 16.143 1.00 0.24 C ATOM 1837 O VAL A 137 -2.225 5.432 16.687 1.00 0.31 O ATOM 1838 CB VAL A 137 -1.130 6.108 13.996 1.00 0.26 C ATOM 1839 CG1 VAL A 137 0.186 6.772 14.372 1.00 1.08 C ATOM 1840 CG2 VAL A 137 -1.283 6.027 12.485 1.00 1.06 C ATOM 0 H VAL A 137 -3.227 4.523 14.024 1.00 0.21 H new ATOM 0 HA VAL A 137 -0.348 4.122 14.361 1.00 0.21 H new ATOM 0 HB VAL A 137 -1.943 6.720 14.387 1.00 0.26 H new ATOM 0 HG11 VAL A 137 0.238 7.761 13.917 1.00 1.08 H new ATOM 0 HG12 VAL A 137 0.248 6.868 15.456 1.00 1.08 H new ATOM 0 HG13 VAL A 137 1.016 6.163 14.013 1.00 1.08 H new ATOM 0 HG21 VAL A 137 -1.210 7.027 12.058 1.00 1.06 H new ATOM 0 HG22 VAL A 137 -0.494 5.398 12.073 1.00 1.06 H new ATOM 0 HG23 VAL A 137 -2.255 5.598 12.240 1.00 1.06 H new ATOM 1850 N LEU A 138 -0.256 4.351 16.817 1.00 0.24 N ATOM 1851 CA LEU A 138 -0.178 4.453 18.272 1.00 0.30 C ATOM 1852 C LEU A 138 0.335 5.838 18.655 1.00 0.31 C ATOM 1853 O LEU A 138 0.862 6.562 17.811 1.00 0.26 O ATOM 1854 CB LEU A 138 0.735 3.368 18.850 1.00 0.36 C ATOM 1855 CG LEU A 138 0.300 1.930 18.559 1.00 0.42 C ATOM 1856 CD1 LEU A 138 1.343 0.947 19.066 1.00 0.52 C ATOM 1857 CD2 LEU A 138 -1.057 1.644 19.187 1.00 0.51 C ATOM 0 H LEU A 138 0.532 3.870 16.383 1.00 0.24 H new ATOM 0 HA LEU A 138 -1.174 4.306 18.689 1.00 0.30 H new ATOM 0 HB2 LEU A 138 1.741 3.514 18.456 1.00 0.36 H new ATOM 0 HB3 LEU A 138 0.793 3.502 19.930 1.00 0.36 H new ATOM 0 HG LEU A 138 0.209 1.809 17.480 1.00 0.42 H new ATOM 0 HD11 LEU A 138 1.018 -0.071 18.851 1.00 0.52 H new ATOM 0 HD12 LEU A 138 2.294 1.137 18.569 1.00 0.52 H new ATOM 0 HD13 LEU A 138 1.465 1.069 20.142 1.00 0.52 H new ATOM 0 HD21 LEU A 138 -1.349 0.617 18.969 1.00 0.51 H new ATOM 0 HD22 LEU A 138 -0.995 1.783 20.266 1.00 0.51 H new ATOM 0 HD23 LEU A 138 -1.800 2.328 18.776 1.00 0.51 H new ATOM 1869 N VAL A 139 0.157 6.224 19.915 1.00 0.45 N ATOM 1870 CA VAL A 139 0.588 7.546 20.360 1.00 0.49 C ATOM 1871 C VAL A 139 2.098 7.613 20.544 1.00 0.49 C ATOM 1872 O VAL A 139 2.719 6.704 21.094 1.00 0.62 O ATOM 1873 CB VAL A 139 -0.075 7.966 21.683 1.00 0.70 C ATOM 1874 CG1 VAL A 139 -0.226 9.478 21.746 1.00 1.19 C ATOM 1875 CG2 VAL A 139 -1.421 7.280 21.875 1.00 1.48 C ATOM 0 H VAL A 139 -0.277 5.649 20.638 1.00 0.45 H new ATOM 0 HA VAL A 139 0.278 8.232 19.572 1.00 0.49 H new ATOM 0 HB VAL A 139 0.575 7.647 22.498 1.00 0.70 H new ATOM 0 HG11 VAL A 139 -0.697 9.758 22.688 1.00 1.19 H new ATOM 0 HG12 VAL A 139 0.757 9.945 21.679 1.00 1.19 H new ATOM 0 HG13 VAL A 139 -0.846 9.817 20.916 1.00 1.19 H new ATOM 0 HG21 VAL A 139 -1.861 7.600 22.820 1.00 1.48 H new ATOM 0 HG22 VAL A 139 -2.087 7.549 21.055 1.00 1.48 H new ATOM 0 HG23 VAL A 139 -1.280 6.199 21.888 1.00 1.48 H new ATOM 1885 N LYS A 140 2.667 8.714 20.076 1.00 0.47 N ATOM 1886 CA LYS A 140 4.103 8.962 20.164 1.00 0.54 C ATOM 1887 C LYS A 140 4.396 10.444 19.923 1.00 0.59 C ATOM 1888 O LYS A 140 3.493 11.207 19.578 1.00 0.68 O ATOM 1889 CB LYS A 140 4.854 8.099 19.147 1.00 0.68 C ATOM 1890 CG LYS A 140 5.322 6.766 19.710 1.00 0.81 C ATOM 1891 CD LYS A 140 6.833 6.720 19.881 1.00 1.12 C ATOM 1892 CE LYS A 140 7.545 6.572 18.546 1.00 1.63 C ATOM 1893 NZ LYS A 140 8.131 7.860 18.081 1.00 2.20 N ATOM 0 H LYS A 140 2.146 9.465 19.623 1.00 0.47 H new ATOM 0 HA LYS A 140 4.445 8.695 21.164 1.00 0.54 H new ATOM 0 HB2 LYS A 140 4.206 7.915 18.290 1.00 0.68 H new ATOM 0 HB3 LYS A 140 5.718 8.653 18.780 1.00 0.68 H new ATOM 0 HG2 LYS A 140 4.842 6.590 20.673 1.00 0.81 H new ATOM 0 HG3 LYS A 140 5.007 5.961 19.046 1.00 0.81 H new ATOM 0 HD2 LYS A 140 7.171 7.631 20.375 1.00 1.12 H new ATOM 0 HD3 LYS A 140 7.101 5.887 20.531 1.00 1.12 H new ATOM 0 HE2 LYS A 140 8.335 5.826 18.637 1.00 1.63 H new ATOM 0 HE3 LYS A 140 6.842 6.203 17.799 1.00 1.63 H new ATOM 0 HZ1 LYS A 140 8.848 7.672 17.352 1.00 2.20 H new ATOM 0 HZ2 LYS A 140 7.380 8.459 17.682 1.00 2.20 H new ATOM 0 HZ3 LYS A 140 8.574 8.350 18.884 1.00 2.20 H new ATOM 1907 N PRO A 141 5.659 10.880 20.093 1.00 0.69 N ATOM 1908 CA PRO A 141 6.040 12.281 19.878 1.00 0.81 C ATOM 1909 C PRO A 141 5.682 12.761 18.474 1.00 1.00 C ATOM 1910 O PRO A 141 4.863 12.145 17.792 1.00 1.31 O ATOM 1911 CB PRO A 141 7.560 12.278 20.072 1.00 0.97 C ATOM 1912 CG PRO A 141 7.835 11.073 20.903 1.00 1.06 C ATOM 1913 CD PRO A 141 6.809 10.053 20.499 1.00 0.83 C ATOM 0 HA PRO A 141 5.517 12.955 20.557 1.00 0.81 H new ATOM 0 HB2 PRO A 141 8.081 12.226 19.116 1.00 0.97 H new ATOM 0 HB3 PRO A 141 7.897 13.187 20.570 1.00 0.97 H new ATOM 0 HG2 PRO A 141 8.845 10.701 20.730 1.00 1.06 H new ATOM 0 HG3 PRO A 141 7.758 11.305 21.965 1.00 1.06 H new ATOM 0 HD2 PRO A 141 7.164 9.426 19.681 1.00 0.83 H new ATOM 0 HD3 PRO A 141 6.556 9.387 21.324 1.00 0.83 H new ATOM 1921 N SER A 142 6.295 13.866 18.048 1.00 1.11 N ATOM 1922 CA SER A 142 6.037 14.434 16.722 1.00 1.45 C ATOM 1923 C SER A 142 5.866 13.343 15.666 1.00 1.70 C ATOM 1924 O SER A 142 4.746 12.998 15.293 1.00 2.25 O ATOM 1925 CB SER A 142 7.177 15.374 16.320 1.00 1.68 C ATOM 1926 OG SER A 142 8.432 14.721 16.410 1.00 2.31 O ATOM 0 H SER A 142 6.975 14.387 18.602 1.00 1.11 H new ATOM 0 HA SER A 142 5.105 14.996 16.778 1.00 1.45 H new ATOM 0 HB2 SER A 142 7.019 15.727 15.301 1.00 1.68 H new ATOM 0 HB3 SER A 142 7.173 16.252 16.966 1.00 1.68 H new ATOM 0 HG SER A 142 9.143 15.342 16.147 1.00 2.31 H new ATOM 1932 N GLY A 143 6.983 12.799 15.198 1.00 1.71 N ATOM 1933 CA GLY A 143 6.939 11.744 14.199 1.00 2.26 C ATOM 1934 C GLY A 143 6.155 12.124 12.953 1.00 1.83 C ATOM 1935 O GLY A 143 5.795 11.257 12.156 1.00 2.52 O ATOM 0 H GLY A 143 7.921 13.069 15.492 1.00 1.71 H new ATOM 0 HA2 GLY A 143 7.958 11.483 13.913 1.00 2.26 H new ATOM 0 HA3 GLY A 143 6.494 10.853 14.642 1.00 2.26 H new ATOM 1939 N ALA A 144 5.884 13.415 12.777 1.00 1.27 N ATOM 1940 CA ALA A 144 5.135 13.881 11.616 1.00 1.39 C ATOM 1941 C ALA A 144 6.062 14.147 10.434 1.00 2.01 C ATOM 1942 O ALA A 144 6.594 15.273 10.342 1.00 2.51 O ATOM 1943 CB ALA A 144 4.344 15.133 11.964 1.00 1.73 C ATOM 1944 OXT ALA A 144 6.247 13.227 9.610 1.00 2.60 O ATOM 0 H ALA A 144 6.171 14.153 13.421 1.00 1.27 H new ATOM 0 HA ALA A 144 4.438 13.095 11.326 1.00 1.39 H new ATOM 0 HB1 ALA A 144 3.790 15.469 11.087 1.00 1.73 H new ATOM 0 HB2 ALA A 144 3.646 14.910 12.771 1.00 1.73 H new ATOM 0 HB3 ALA A 144 5.029 15.919 12.284 1.00 1.73 H new TER 1950 ALA A 144