USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 721 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 9 SER OG : rot 111:sc= 0.289 USER MOD Set 1.2: A 63 ASN :FLIP amide:sc= -0.222 F(o=-0.94,f=0.067) USER MOD Set 2.1: A 24 ASN : amide:sc= 0.784 K(o=0.77,f=-2.9!) USER MOD Set 2.2: A 32 TYR OH : rot 32:sc= -0.0109 USER MOD Set 3.1: A 10 HIS :FLIP no HD1:sc= -1.41 F(o=-5.6!,f=-3.2) USER MOD Set 3.2: A 18 ASN : amide:sc= -0.873 K(o=-3.2,f=-6.5) USER MOD Set 3.3: A 21 MET CE :methyl -132:sc= -0.899 (180deg=-0.957) USER MOD Set 4.1: A 11 MET CE :methyl 157:sc= -1.95! (180deg=-2.44) USER MOD Set 4.2: A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.054 X(o=-0.054,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0499 X(o=-0.05,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 143:sc= 0.95 (180deg=0.0457) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -120:sc= 0.34 (180deg=-0.115) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 109:sc= 1.5 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 156:sc= 0.979 (180deg=-0.722) USER MOD Single : A 48 MET CE :methyl -167:sc= -0.377 (180deg=-0.606) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.0269 F(o=-1.9!,f=-0.027) USER MOD Single : A 56 LYS NZ :NH3+ 177:sc= 1.26 (180deg=1.17) USER MOD Single : A 58 GLN : amide:sc= 0.699 K(o=0.7,f=-0.81) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -177:sc= -0.0328 (180deg=-0.0492) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 144:sc= 0.652 (180deg=-0.878) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -1.23 K(o=-1.2,f=-3.8!) USER MOD Single : A 91 LYS NZ :NH3+ -145:sc= -1.92! (180deg=-3.95!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.226 15.207 26.125 1.00 21.33 N ATOM 2 CA MET A 1 -11.475 16.480 26.309 1.00 45.02 C ATOM 3 C MET A 1 -9.969 16.210 26.470 1.00 54.12 C ATOM 4 O MET A 1 -9.560 15.331 27.233 1.00 63.42 O ATOM 5 CB MET A 1 -12.021 17.236 27.532 1.00 25.31 C ATOM 6 CG MET A 1 -11.476 18.654 27.699 1.00 34.12 C ATOM 7 SD MET A 1 -9.719 18.693 28.114 1.00 34.03 S ATOM 8 CE MET A 1 -9.424 20.462 28.207 1.00 61.45 C ATOM 0 H1 MET A 1 -13.240 15.414 26.019 1.00 21.33 H new ATOM 0 H2 MET A 1 -11.881 14.720 25.273 1.00 21.33 H new ATOM 0 H3 MET A 1 -12.083 14.596 26.955 1.00 21.33 H new ATOM 0 HA MET A 1 -11.612 17.096 25.421 1.00 45.02 H new ATOM 0 HB2 MET A 1 -13.107 17.285 27.457 1.00 25.31 H new ATOM 0 HB3 MET A 1 -11.789 16.664 28.430 1.00 25.31 H new ATOM 0 HG2 MET A 1 -11.638 19.210 26.776 1.00 34.12 H new ATOM 0 HG3 MET A 1 -12.039 19.164 28.481 1.00 34.12 H new ATOM 0 HE1 MET A 1 -8.379 20.644 28.456 1.00 61.45 H new ATOM 0 HE2 MET A 1 -9.653 20.920 27.245 1.00 61.45 H new ATOM 0 HE3 MET A 1 -10.061 20.897 28.977 1.00 61.45 H new ATOM 20 N GLY A 2 -9.155 16.968 25.741 1.00 11.23 N ATOM 21 CA GLY A 2 -7.709 16.800 25.793 1.00 61.01 C ATOM 22 C GLY A 2 -6.984 17.637 24.743 1.00 60.15 C ATOM 23 O GLY A 2 -7.002 17.309 23.553 1.00 1.32 O ATOM 0 H GLY A 2 -9.473 17.703 25.109 1.00 11.23 H new ATOM 0 HA2 GLY A 2 -7.350 17.077 26.784 1.00 61.01 H new ATOM 0 HA3 GLY A 2 -7.463 15.748 25.647 1.00 61.01 H new ATOM 27 N HIS A 3 -6.348 18.725 25.181 1.00 51.42 N ATOM 28 CA HIS A 3 -5.609 19.615 24.276 1.00 24.03 C ATOM 29 C HIS A 3 -4.251 19.013 23.879 1.00 35.01 C ATOM 30 O HIS A 3 -3.750 19.262 22.783 1.00 52.51 O ATOM 31 CB HIS A 3 -5.407 20.990 24.931 1.00 52.15 C ATOM 32 CG HIS A 3 -4.570 21.934 24.120 1.00 14.51 C ATOM 33 ND1 HIS A 3 -5.019 22.555 22.975 1.00 61.34 N ATOM 34 CD2 HIS A 3 -3.296 22.359 24.293 1.00 73.24 C ATOM 35 CE1 HIS A 3 -4.065 23.316 22.483 1.00 61.11 C ATOM 36 NE2 HIS A 3 -3.010 23.216 23.262 1.00 42.23 N ATOM 0 H HIS A 3 -6.328 19.014 26.159 1.00 51.42 H new ATOM 0 HA HIS A 3 -6.201 19.734 23.368 1.00 24.03 H new ATOM 0 HB2 HIS A 3 -6.382 21.444 25.107 1.00 52.15 H new ATOM 0 HB3 HIS A 3 -4.939 20.852 25.906 1.00 52.15 H new ATOM 0 HD2 HIS A 3 -2.629 22.076 25.094 1.00 73.24 H new ATOM 0 HE1 HIS A 3 -4.136 23.920 21.591 1.00 61.11 H new ATOM 0 HE2 HIS A 3 -2.122 23.698 23.122 1.00 42.23 H new ATOM 45 N HIS A 4 -3.659 18.225 24.773 1.00 0.22 N ATOM 46 CA HIS A 4 -2.362 17.592 24.505 1.00 34.22 C ATOM 47 C HIS A 4 -2.547 16.220 23.837 1.00 64.35 C ATOM 48 O HIS A 4 -2.879 15.231 24.497 1.00 73.31 O ATOM 49 CB HIS A 4 -1.557 17.457 25.802 1.00 41.11 C ATOM 50 CG HIS A 4 -1.213 18.775 26.425 1.00 23.23 C ATOM 51 ND1 HIS A 4 0.005 19.396 26.252 1.00 71.11 N ATOM 52 CD2 HIS A 4 -1.940 19.598 27.219 1.00 54.12 C ATOM 53 CE1 HIS A 4 0.014 20.538 26.908 1.00 21.10 C ATOM 54 NE2 HIS A 4 -1.153 20.684 27.502 1.00 72.15 N ATOM 0 H HIS A 4 -4.052 18.007 25.689 1.00 0.22 H new ATOM 0 HA HIS A 4 -1.807 18.229 23.816 1.00 34.22 H new ATOM 0 HB2 HIS A 4 -2.128 16.863 26.516 1.00 41.11 H new ATOM 0 HB3 HIS A 4 -0.637 16.909 25.596 1.00 41.11 H new ATOM 0 HD2 HIS A 4 -2.950 19.430 27.564 1.00 54.12 H new ATOM 0 HE1 HIS A 4 0.837 21.236 26.952 1.00 21.10 H new ATOM 0 HE2 HIS A 4 -1.427 21.478 28.080 1.00 72.15 H new ATOM 63 N HIS A 5 -2.333 16.175 22.524 1.00 0.24 N ATOM 64 CA HIS A 5 -2.549 14.955 21.736 1.00 25.14 C ATOM 65 C HIS A 5 -1.299 14.064 21.731 1.00 44.21 C ATOM 66 O HIS A 5 -0.185 14.530 21.481 1.00 75.23 O ATOM 67 CB HIS A 5 -2.952 15.325 20.304 1.00 32.24 C ATOM 68 CG HIS A 5 -4.176 16.185 20.247 1.00 34.34 C ATOM 69 ND1 HIS A 5 -5.447 15.681 20.083 1.00 63.24 N ATOM 70 CD2 HIS A 5 -4.323 17.528 20.361 1.00 65.42 C ATOM 71 CE1 HIS A 5 -6.315 16.668 20.103 1.00 55.00 C ATOM 72 NE2 HIS A 5 -5.664 17.799 20.270 1.00 64.31 N ATOM 0 H HIS A 5 -2.008 16.972 21.977 1.00 0.24 H new ATOM 0 HA HIS A 5 -3.356 14.387 22.199 1.00 25.14 H new ATOM 0 HB2 HIS A 5 -2.125 15.847 19.822 1.00 32.24 H new ATOM 0 HB3 HIS A 5 -3.128 14.413 19.734 1.00 32.24 H new ATOM 0 HD2 HIS A 5 -3.531 18.250 20.498 1.00 65.42 H new ATOM 0 HE1 HIS A 5 -7.385 16.567 19.999 1.00 55.00 H new ATOM 0 HE2 HIS A 5 -6.087 18.725 20.323 1.00 64.31 H new ATOM 81 N HIS A 6 -1.501 12.778 21.992 1.00 43.24 N ATOM 82 CA HIS A 6 -0.399 11.827 22.162 1.00 35.02 C ATOM 83 C HIS A 6 0.075 11.222 20.828 1.00 4.12 C ATOM 84 O HIS A 6 1.264 10.971 20.641 1.00 1.53 O ATOM 85 CB HIS A 6 -0.840 10.708 23.112 1.00 52.11 C ATOM 86 CG HIS A 6 -1.339 11.208 24.435 1.00 74.34 C ATOM 87 ND1 HIS A 6 -2.672 11.445 24.699 1.00 30.21 N ATOM 88 CD2 HIS A 6 -0.676 11.518 25.573 1.00 21.51 C ATOM 89 CE1 HIS A 6 -2.803 11.879 25.937 1.00 10.31 C ATOM 90 NE2 HIS A 6 -1.611 11.932 26.489 1.00 11.54 N ATOM 0 H HIS A 6 -2.427 12.362 22.092 1.00 43.24 H new ATOM 0 HA HIS A 6 0.446 12.374 22.581 1.00 35.02 H new ATOM 0 HB2 HIS A 6 -1.626 10.125 22.633 1.00 52.11 H new ATOM 0 HB3 HIS A 6 -0.000 10.034 23.281 1.00 52.11 H new ATOM 0 HD2 HIS A 6 0.390 11.452 25.731 1.00 21.51 H new ATOM 0 HE1 HIS A 6 -3.733 12.146 26.417 1.00 10.31 H new ATOM 0 HE2 HIS A 6 -1.413 12.232 27.443 1.00 11.54 H new ATOM 99 N HIS A 7 -0.854 10.984 19.904 1.00 71.54 N ATOM 100 CA HIS A 7 -0.514 10.343 18.625 1.00 24.25 C ATOM 101 C HIS A 7 -1.485 10.741 17.502 1.00 12.12 C ATOM 102 O HIS A 7 -2.533 11.340 17.750 1.00 25.31 O ATOM 103 CB HIS A 7 -0.509 8.816 18.788 1.00 21.12 C ATOM 104 CG HIS A 7 -1.839 8.237 19.176 1.00 12.10 C ATOM 105 ND1 HIS A 7 -2.181 7.932 20.473 1.00 14.22 N ATOM 106 CD2 HIS A 7 -2.915 7.900 18.421 1.00 54.15 C ATOM 107 CE1 HIS A 7 -3.401 7.435 20.502 1.00 40.33 C ATOM 108 NE2 HIS A 7 -3.870 7.402 19.271 1.00 61.45 N ATOM 0 H HIS A 7 -1.840 11.221 20.010 1.00 71.54 H new ATOM 0 HA HIS A 7 0.480 10.689 18.341 1.00 24.25 H new ATOM 0 HB2 HIS A 7 -0.187 8.362 17.851 1.00 21.12 H new ATOM 0 HB3 HIS A 7 0.228 8.544 19.544 1.00 21.12 H new ATOM 0 HD2 HIS A 7 -3.003 8.004 17.350 1.00 54.15 H new ATOM 0 HE1 HIS A 7 -3.928 7.109 21.386 1.00 40.33 H new ATOM 0 HE2 HIS A 7 -4.791 7.062 18.995 1.00 61.45 H new ATOM 117 N HIS A 8 -1.128 10.395 16.266 1.00 71.12 N ATOM 118 CA HIS A 8 -2.006 10.617 15.111 1.00 60.53 C ATOM 119 C HIS A 8 -2.260 9.305 14.342 1.00 33.13 C ATOM 120 O HIS A 8 -3.333 8.712 14.463 1.00 72.14 O ATOM 121 CB HIS A 8 -1.413 11.683 14.179 1.00 24.53 C ATOM 122 CG HIS A 8 -1.342 13.047 14.800 1.00 54.42 C ATOM 123 ND1 HIS A 8 -0.158 13.693 15.077 1.00 32.05 N ATOM 124 CD2 HIS A 8 -2.326 13.895 15.194 1.00 41.13 C ATOM 125 CE1 HIS A 8 -0.413 14.868 15.614 1.00 4.44 C ATOM 126 NE2 HIS A 8 -1.720 15.018 15.694 1.00 3.54 N ATOM 0 H HIS A 8 -0.235 9.959 16.035 1.00 71.12 H new ATOM 0 HA HIS A 8 -2.965 10.977 15.484 1.00 60.53 H new ATOM 0 HB2 HIS A 8 -0.411 11.376 13.880 1.00 24.53 H new ATOM 0 HB3 HIS A 8 -2.014 11.736 13.272 1.00 24.53 H new ATOM 0 HD2 HIS A 8 -3.389 13.718 15.126 1.00 41.13 H new ATOM 0 HE1 HIS A 8 0.325 15.588 15.935 1.00 4.44 H new ATOM 0 HE2 HIS A 8 -2.202 15.836 16.067 1.00 3.54 H new ATOM 135 N SER A 9 -1.265 8.858 13.560 1.00 12.01 N ATOM 136 CA SER A 9 -1.357 7.618 12.744 1.00 44.21 C ATOM 137 C SER A 9 -2.327 7.757 11.552 1.00 2.41 C ATOM 138 O SER A 9 -2.064 7.243 10.465 1.00 14.34 O ATOM 139 CB SER A 9 -1.756 6.405 13.608 1.00 33.05 C ATOM 140 OG SER A 9 -1.849 5.217 12.831 1.00 2.54 O ATOM 0 H SER A 9 -0.370 9.340 13.469 1.00 12.01 H new ATOM 0 HA SER A 9 -0.359 7.452 12.337 1.00 44.21 H new ATOM 0 HB2 SER A 9 -1.022 6.265 14.401 1.00 33.05 H new ATOM 0 HB3 SER A 9 -2.713 6.601 14.091 1.00 33.05 H new ATOM 0 HG SER A 9 -1.125 4.606 13.080 1.00 2.54 H new ATOM 146 N HIS A 10 -3.447 8.450 11.761 1.00 2.35 N ATOM 147 CA HIS A 10 -4.456 8.667 10.717 1.00 44.11 C ATOM 148 C HIS A 10 -3.908 9.533 9.560 1.00 3.21 C ATOM 149 O HIS A 10 -4.174 10.735 9.485 1.00 32.32 O ATOM 150 CB HIS A 10 -5.694 9.325 11.353 1.00 31.22 C ATOM 151 CG HIS A 10 -6.875 9.451 10.438 1.00 65.11 C ATOM 152 ND1 HIS A 10 -7.573 8.513 9.755 1.00 42.50 N flip ATOM 153 CD2 HIS A 10 -7.500 10.650 10.173 1.00 4.11 C flip ATOM 154 CE1 HIS A 10 -8.592 9.157 9.103 1.00 12.01 C flip ATOM 155 NE2 HIS A 10 -8.527 10.445 9.375 1.00 0.52 N flip ATOM 0 H HIS A 10 -3.682 8.877 12.657 1.00 2.35 H new ATOM 0 HA HIS A 10 -4.729 7.704 10.286 1.00 44.11 H new ATOM 0 HB2 HIS A 10 -5.989 8.744 12.227 1.00 31.22 H new ATOM 0 HB3 HIS A 10 -5.419 10.318 11.708 1.00 31.22 H new ATOM 0 HD2 HIS A 10 -7.194 11.611 10.560 1.00 4.11 H new ATOM 0 HE1 HIS A 10 -9.329 8.686 8.469 1.00 12.01 H new ATOM 0 HE2 HIS A 10 -9.164 11.161 9.026 1.00 0.52 H new ATOM 164 N MET A 11 -3.130 8.911 8.671 1.00 3.01 N ATOM 165 CA MET A 11 -2.513 9.618 7.537 1.00 11.22 C ATOM 166 C MET A 11 -3.513 9.868 6.398 1.00 72.50 C ATOM 167 O MET A 11 -4.224 8.958 5.964 1.00 23.03 O ATOM 168 CB MET A 11 -1.311 8.826 6.999 1.00 22.43 C ATOM 169 CG MET A 11 -0.591 9.518 5.842 1.00 30.15 C ATOM 170 SD MET A 11 0.769 8.544 5.169 1.00 20.40 S ATOM 171 CE MET A 11 1.837 8.405 6.600 1.00 25.12 C ATOM 0 H MET A 11 -2.910 7.916 8.712 1.00 3.01 H new ATOM 0 HA MET A 11 -2.178 10.586 7.910 1.00 11.22 H new ATOM 0 HB2 MET A 11 -0.602 8.661 7.811 1.00 22.43 H new ATOM 0 HB3 MET A 11 -1.651 7.844 6.669 1.00 22.43 H new ATOM 0 HG2 MET A 11 -1.308 9.726 5.048 1.00 30.15 H new ATOM 0 HG3 MET A 11 -0.207 10.479 6.184 1.00 30.15 H new ATOM 0 HE1 MET A 11 2.481 7.533 6.490 1.00 25.12 H new ATOM 0 HE2 MET A 11 2.451 9.302 6.684 1.00 25.12 H new ATOM 0 HE3 MET A 11 1.229 8.296 7.498 1.00 25.12 H new ATOM 181 N LEU A 12 -3.543 11.105 5.908 1.00 2.32 N ATOM 182 CA LEU A 12 -4.430 11.500 4.810 1.00 14.02 C ATOM 183 C LEU A 12 -3.616 12.076 3.637 1.00 31.23 C ATOM 184 O LEU A 12 -2.669 12.835 3.848 1.00 45.42 O ATOM 185 CB LEU A 12 -5.440 12.545 5.307 1.00 3.31 C ATOM 186 CG LEU A 12 -6.227 12.147 6.567 1.00 20.45 C ATOM 187 CD1 LEU A 12 -7.043 13.322 7.102 1.00 74.45 C ATOM 188 CD2 LEU A 12 -7.133 10.957 6.274 1.00 15.52 C ATOM 0 H LEU A 12 -2.956 11.862 6.258 1.00 2.32 H new ATOM 0 HA LEU A 12 -4.966 10.617 4.461 1.00 14.02 H new ATOM 0 HB2 LEU A 12 -4.907 13.474 5.509 1.00 3.31 H new ATOM 0 HB3 LEU A 12 -6.149 12.752 4.505 1.00 3.31 H new ATOM 0 HG LEU A 12 -5.510 11.860 7.336 1.00 20.45 H new ATOM 0 HD11 LEU A 12 -7.589 13.010 7.993 1.00 74.45 H new ATOM 0 HD12 LEU A 12 -6.374 14.144 7.355 1.00 74.45 H new ATOM 0 HD13 LEU A 12 -7.750 13.651 6.340 1.00 74.45 H new ATOM 0 HD21 LEU A 12 -7.683 10.688 7.176 1.00 15.52 H new ATOM 0 HD22 LEU A 12 -7.837 11.221 5.485 1.00 15.52 H new ATOM 0 HD23 LEU A 12 -6.528 10.110 5.952 1.00 15.52 H new ATOM 200 N THR A 13 -3.980 11.712 2.406 1.00 64.41 N ATOM 201 CA THR A 13 -3.266 12.210 1.216 1.00 43.03 C ATOM 202 C THR A 13 -4.077 13.271 0.458 1.00 53.23 C ATOM 203 O THR A 13 -3.548 14.311 0.060 1.00 63.42 O ATOM 204 CB THR A 13 -2.907 11.070 0.227 1.00 72.12 C ATOM 205 OG1 THR A 13 -2.174 11.600 -0.888 1.00 24.45 O ATOM 206 CG2 THR A 13 -4.153 10.351 -0.284 1.00 51.24 C ATOM 0 H THR A 13 -4.755 11.082 2.202 1.00 64.41 H new ATOM 0 HA THR A 13 -2.348 12.658 1.597 1.00 43.03 H new ATOM 0 HB THR A 13 -2.295 10.348 0.767 1.00 72.12 H new ATOM 0 HG1 THR A 13 -1.950 10.874 -1.507 1.00 24.45 H new ATOM 0 HG21 THR A 13 -3.859 9.560 -0.974 1.00 51.24 H new ATOM 0 HG22 THR A 13 -4.693 9.917 0.557 1.00 51.24 H new ATOM 0 HG23 THR A 13 -4.797 11.062 -0.801 1.00 51.24 H new ATOM 214 N LYS A 14 -5.372 13.016 0.274 1.00 72.03 N ATOM 215 CA LYS A 14 -6.206 13.857 -0.591 1.00 72.34 C ATOM 216 C LYS A 14 -7.035 14.866 0.220 1.00 62.02 C ATOM 217 O LYS A 14 -8.254 14.734 0.338 1.00 32.51 O ATOM 218 CB LYS A 14 -7.115 12.964 -1.452 1.00 61.40 C ATOM 219 CG LYS A 14 -7.369 13.497 -2.860 1.00 42.13 C ATOM 220 CD LYS A 14 -6.059 13.710 -3.624 1.00 72.43 C ATOM 221 CE LYS A 14 -6.269 13.703 -5.134 1.00 44.40 C ATOM 222 NZ LYS A 14 -6.620 12.346 -5.634 1.00 72.22 N ATOM 0 H LYS A 14 -5.867 12.238 0.709 1.00 72.03 H new ATOM 0 HA LYS A 14 -5.551 14.437 -1.241 1.00 72.34 H new ATOM 0 HB2 LYS A 14 -6.666 11.974 -1.527 1.00 61.40 H new ATOM 0 HB3 LYS A 14 -8.072 12.843 -0.944 1.00 61.40 H new ATOM 0 HG2 LYS A 14 -8.001 12.797 -3.407 1.00 42.13 H new ATOM 0 HG3 LYS A 14 -7.914 14.439 -2.801 1.00 42.13 H new ATOM 0 HD2 LYS A 14 -5.615 14.659 -3.324 1.00 72.43 H new ATOM 0 HD3 LYS A 14 -5.350 12.927 -3.353 1.00 72.43 H new ATOM 0 HE2 LYS A 14 -7.063 14.403 -5.394 1.00 44.40 H new ATOM 0 HE3 LYS A 14 -5.362 14.050 -5.629 1.00 44.40 H new ATOM 0 HZ1 LYS A 14 -7.317 12.428 -6.402 1.00 72.22 H new ATOM 0 HZ2 LYS A 14 -5.764 11.876 -5.992 1.00 72.22 H new ATOM 0 HZ3 LYS A 14 -7.024 11.784 -4.858 1.00 72.22 H new ATOM 236 N HIS A 15 -6.347 15.846 0.814 1.00 42.13 N ATOM 237 CA HIS A 15 -6.995 16.958 1.534 1.00 11.31 C ATOM 238 C HIS A 15 -7.998 16.472 2.602 1.00 73.13 C ATOM 239 O HIS A 15 -8.932 17.192 2.967 1.00 72.30 O ATOM 240 CB HIS A 15 -7.685 17.894 0.527 1.00 10.32 C ATOM 241 CG HIS A 15 -6.738 18.475 -0.485 1.00 41.42 C ATOM 242 ND1 HIS A 15 -6.004 19.620 -0.261 1.00 13.21 N ATOM 243 CD2 HIS A 15 -6.392 18.051 -1.726 1.00 73.00 C ATOM 244 CE1 HIS A 15 -5.252 19.874 -1.313 1.00 41.01 C ATOM 245 NE2 HIS A 15 -5.467 18.940 -2.215 1.00 3.14 N ATOM 0 H HIS A 15 -5.328 15.895 0.812 1.00 42.13 H new ATOM 0 HA HIS A 15 -6.216 17.502 2.067 1.00 11.31 H new ATOM 0 HB2 HIS A 15 -8.469 17.344 0.007 1.00 10.32 H new ATOM 0 HB3 HIS A 15 -8.171 18.706 1.069 1.00 10.32 H new ATOM 0 HD2 HIS A 15 -6.773 17.178 -2.234 1.00 73.00 H new ATOM 0 HE1 HIS A 15 -4.574 20.708 -1.417 1.00 41.01 H new ATOM 0 HE2 HIS A 15 -5.019 18.885 -3.130 1.00 3.14 H new ATOM 254 N GLY A 16 -7.782 15.266 3.126 1.00 51.24 N ATOM 255 CA GLY A 16 -8.692 14.706 4.124 1.00 13.11 C ATOM 256 C GLY A 16 -8.999 13.225 3.913 1.00 44.02 C ATOM 257 O GLY A 16 -9.560 12.572 4.793 1.00 54.03 O ATOM 0 H GLY A 16 -6.996 14.665 2.880 1.00 51.24 H new ATOM 0 HA2 GLY A 16 -8.258 14.840 5.115 1.00 13.11 H new ATOM 0 HA3 GLY A 16 -9.626 15.268 4.107 1.00 13.11 H new ATOM 261 N LYS A 17 -8.639 12.691 2.748 1.00 15.22 N ATOM 262 CA LYS A 17 -8.904 11.283 2.425 1.00 0.51 C ATOM 263 C LYS A 17 -7.647 10.407 2.572 1.00 30.04 C ATOM 264 O LYS A 17 -6.589 10.719 2.018 1.00 64.53 O ATOM 265 CB LYS A 17 -9.452 11.181 0.996 1.00 15.34 C ATOM 266 CG LYS A 17 -10.709 12.017 0.773 1.00 5.01 C ATOM 267 CD LYS A 17 -11.178 11.978 -0.678 1.00 0.03 C ATOM 268 CE LYS A 17 -12.406 12.857 -0.887 1.00 34.14 C ATOM 269 NZ LYS A 17 -12.857 12.858 -2.303 1.00 4.31 N ATOM 0 H LYS A 17 -8.163 13.209 2.009 1.00 15.22 H new ATOM 0 HA LYS A 17 -9.642 10.910 3.136 1.00 0.51 H new ATOM 0 HB2 LYS A 17 -8.681 11.501 0.295 1.00 15.34 H new ATOM 0 HB3 LYS A 17 -9.673 10.137 0.772 1.00 15.34 H new ATOM 0 HG2 LYS A 17 -11.506 11.651 1.420 1.00 5.01 H new ATOM 0 HG3 LYS A 17 -10.512 13.050 1.062 1.00 5.01 H new ATOM 0 HD2 LYS A 17 -10.373 12.313 -1.332 1.00 0.03 H new ATOM 0 HD3 LYS A 17 -11.411 10.951 -0.960 1.00 0.03 H new ATOM 0 HE2 LYS A 17 -13.216 12.505 -0.249 1.00 34.14 H new ATOM 0 HE3 LYS A 17 -12.178 13.877 -0.579 1.00 34.14 H new ATOM 0 HZ1 LYS A 17 -13.694 13.468 -2.400 1.00 4.31 H new ATOM 0 HZ2 LYS A 17 -12.093 13.218 -2.910 1.00 4.31 H new ATOM 0 HZ3 LYS A 17 -13.100 11.889 -2.591 1.00 4.31 H new ATOM 283 N ASN A 18 -7.771 9.320 3.342 1.00 41.03 N ATOM 284 CA ASN A 18 -6.694 8.326 3.490 1.00 0.10 C ATOM 285 C ASN A 18 -6.261 7.745 2.128 1.00 3.15 C ATOM 286 O ASN A 18 -7.104 7.394 1.301 1.00 64.42 O ATOM 287 CB ASN A 18 -7.149 7.173 4.397 1.00 23.12 C ATOM 288 CG ASN A 18 -7.428 7.613 5.822 1.00 75.01 C ATOM 289 OD1 ASN A 18 -8.538 8.007 6.157 1.00 30.31 O ATOM 290 ND2 ASN A 18 -6.425 7.558 6.670 1.00 72.32 N ATOM 0 H ASN A 18 -8.612 9.103 3.877 1.00 41.03 H new ATOM 0 HA ASN A 18 -5.844 8.841 3.937 1.00 0.10 H new ATOM 0 HB2 ASN A 18 -8.049 6.723 3.979 1.00 23.12 H new ATOM 0 HB3 ASN A 18 -6.381 6.400 4.405 1.00 23.12 H new ATOM 0 HD21 ASN A 18 -6.559 7.848 7.638 1.00 72.32 H new ATOM 0 HD22 ASN A 18 -5.512 7.225 6.359 1.00 72.32 H new ATOM 297 N PRO A 19 -4.941 7.605 1.890 1.00 53.44 N ATOM 298 CA PRO A 19 -4.417 7.025 0.637 1.00 21.42 C ATOM 299 C PRO A 19 -4.977 5.622 0.351 1.00 51.01 C ATOM 300 O PRO A 19 -5.285 5.286 -0.793 1.00 72.13 O ATOM 301 CB PRO A 19 -2.893 6.970 0.864 1.00 2.01 C ATOM 302 CG PRO A 19 -2.705 7.157 2.337 1.00 22.23 C ATOM 303 CD PRO A 19 -3.858 7.998 2.806 1.00 52.24 C ATOM 0 HA PRO A 19 -4.705 7.620 -0.230 1.00 21.42 H new ATOM 0 HB2 PRO A 19 -2.480 6.017 0.533 1.00 2.01 H new ATOM 0 HB3 PRO A 19 -2.383 7.751 0.300 1.00 2.01 H new ATOM 0 HG2 PRO A 19 -2.690 6.196 2.852 1.00 22.23 H new ATOM 0 HG3 PRO A 19 -1.755 7.647 2.549 1.00 22.23 H new ATOM 0 HD2 PRO A 19 -4.113 7.792 3.846 1.00 52.24 H new ATOM 0 HD3 PRO A 19 -3.636 9.063 2.737 1.00 52.24 H new ATOM 311 N VAL A 20 -5.109 4.809 1.402 1.00 45.00 N ATOM 312 CA VAL A 20 -5.683 3.465 1.276 1.00 55.33 C ATOM 313 C VAL A 20 -7.105 3.516 0.692 1.00 65.13 C ATOM 314 O VAL A 20 -7.407 2.842 -0.289 1.00 31.04 O ATOM 315 CB VAL A 20 -5.719 2.739 2.645 1.00 34.40 C ATOM 316 CG1 VAL A 20 -6.287 1.328 2.500 1.00 72.33 C ATOM 317 CG2 VAL A 20 -4.329 2.700 3.279 1.00 20.52 C ATOM 0 H VAL A 20 -4.826 5.057 2.350 1.00 45.00 H new ATOM 0 HA VAL A 20 -5.040 2.909 0.594 1.00 55.33 H new ATOM 0 HB VAL A 20 -6.377 3.303 3.306 1.00 34.40 H new ATOM 0 HG11 VAL A 20 -6.302 0.840 3.474 1.00 72.33 H new ATOM 0 HG12 VAL A 20 -7.302 1.383 2.106 1.00 72.33 H new ATOM 0 HG13 VAL A 20 -5.663 0.753 1.816 1.00 72.33 H new ATOM 0 HG21 VAL A 20 -4.381 2.186 4.239 1.00 20.52 H new ATOM 0 HG22 VAL A 20 -3.643 2.169 2.619 1.00 20.52 H new ATOM 0 HG23 VAL A 20 -3.970 3.718 3.432 1.00 20.52 H new ATOM 327 N MET A 21 -7.971 4.337 1.292 1.00 71.01 N ATOM 328 CA MET A 21 -9.366 4.443 0.846 1.00 3.43 C ATOM 329 C MET A 21 -9.464 4.944 -0.604 1.00 14.24 C ATOM 330 O MET A 21 -10.277 4.437 -1.381 1.00 3.21 O ATOM 331 CB MET A 21 -10.170 5.362 1.781 1.00 71.31 C ATOM 332 CG MET A 21 -10.213 4.885 3.230 1.00 21.23 C ATOM 333 SD MET A 21 -11.433 5.772 4.227 1.00 73.15 S ATOM 334 CE MET A 21 -10.935 7.475 3.976 1.00 31.22 C ATOM 0 H MET A 21 -7.734 4.935 2.083 1.00 71.01 H new ATOM 0 HA MET A 21 -9.794 3.441 0.883 1.00 3.43 H new ATOM 0 HB2 MET A 21 -9.738 6.362 1.751 1.00 71.31 H new ATOM 0 HB3 MET A 21 -11.190 5.444 1.405 1.00 71.31 H new ATOM 0 HG2 MET A 21 -10.441 3.819 3.250 1.00 21.23 H new ATOM 0 HG3 MET A 21 -9.227 5.008 3.677 1.00 21.23 H new ATOM 0 HE1 MET A 21 -10.885 7.985 4.938 1.00 31.22 H new ATOM 0 HE2 MET A 21 -9.955 7.501 3.500 1.00 31.22 H new ATOM 0 HE3 MET A 21 -11.662 7.976 3.337 1.00 31.22 H new ATOM 344 N GLU A 22 -8.635 5.927 -0.974 1.00 12.33 N ATOM 345 CA GLU A 22 -8.628 6.431 -2.355 1.00 52.13 C ATOM 346 C GLU A 22 -8.198 5.335 -3.342 1.00 22.50 C ATOM 347 O GLU A 22 -8.861 5.110 -4.352 1.00 40.22 O ATOM 348 CB GLU A 22 -7.718 7.661 -2.511 1.00 54.14 C ATOM 349 CG GLU A 22 -7.623 8.147 -3.958 1.00 50.12 C ATOM 350 CD GLU A 22 -6.909 9.481 -4.113 1.00 52.34 C ATOM 351 OE1 GLU A 22 -7.580 10.529 -4.015 1.00 11.14 O ATOM 352 OE2 GLU A 22 -5.684 9.490 -4.366 1.00 25.41 O ATOM 0 H GLU A 22 -7.970 6.384 -0.350 1.00 12.33 H new ATOM 0 HA GLU A 22 -9.650 6.733 -2.585 1.00 52.13 H new ATOM 0 HB2 GLU A 22 -8.096 8.469 -1.885 1.00 54.14 H new ATOM 0 HB3 GLU A 22 -6.720 7.417 -2.148 1.00 54.14 H new ATOM 0 HG2 GLU A 22 -7.101 7.395 -4.550 1.00 50.12 H new ATOM 0 HG3 GLU A 22 -8.629 8.234 -4.369 1.00 50.12 H new ATOM 359 N LEU A 23 -7.096 4.647 -3.040 1.00 3.15 N ATOM 360 CA LEU A 23 -6.615 3.547 -3.887 1.00 63.21 C ATOM 361 C LEU A 23 -7.702 2.470 -4.056 1.00 25.33 C ATOM 362 O LEU A 23 -7.952 1.982 -5.163 1.00 40.05 O ATOM 363 CB LEU A 23 -5.343 2.934 -3.280 1.00 14.15 C ATOM 364 CG LEU A 23 -4.669 1.842 -4.127 1.00 31.20 C ATOM 365 CD1 LEU A 23 -4.229 2.398 -5.479 1.00 30.21 C ATOM 366 CD2 LEU A 23 -3.487 1.235 -3.375 1.00 4.44 C ATOM 0 H LEU A 23 -6.519 4.829 -2.219 1.00 3.15 H new ATOM 0 HA LEU A 23 -6.379 3.947 -4.873 1.00 63.21 H new ATOM 0 HB2 LEU A 23 -4.622 3.733 -3.107 1.00 14.15 H new ATOM 0 HB3 LEU A 23 -5.592 2.513 -2.306 1.00 14.15 H new ATOM 0 HG LEU A 23 -5.397 1.052 -4.311 1.00 31.20 H new ATOM 0 HD11 LEU A 23 -3.755 1.607 -6.061 1.00 30.21 H new ATOM 0 HD12 LEU A 23 -5.099 2.774 -6.018 1.00 30.21 H new ATOM 0 HD13 LEU A 23 -3.519 3.210 -5.325 1.00 30.21 H new ATOM 0 HD21 LEU A 23 -3.022 0.464 -3.989 1.00 4.44 H new ATOM 0 HD22 LEU A 23 -2.757 2.014 -3.156 1.00 4.44 H new ATOM 0 HD23 LEU A 23 -3.837 0.793 -2.442 1.00 4.44 H new ATOM 378 N ASN A 24 -8.360 2.131 -2.950 1.00 74.44 N ATOM 379 CA ASN A 24 -9.482 1.183 -2.953 1.00 31.31 C ATOM 380 C ASN A 24 -10.656 1.666 -3.838 1.00 1.42 C ATOM 381 O ASN A 24 -11.519 0.875 -4.223 1.00 44.15 O ATOM 382 CB ASN A 24 -9.959 0.949 -1.510 1.00 54.23 C ATOM 383 CG ASN A 24 -8.956 0.157 -0.684 1.00 51.22 C ATOM 384 OD1 ASN A 24 -7.765 0.149 -0.962 1.00 74.15 O ATOM 385 ND2 ASN A 24 -9.430 -0.507 0.350 1.00 72.41 N ATOM 0 H ASN A 24 -8.135 2.502 -2.027 1.00 74.44 H new ATOM 0 HA ASN A 24 -9.127 0.246 -3.382 1.00 31.31 H new ATOM 0 HB2 ASN A 24 -10.140 1.911 -1.030 1.00 54.23 H new ATOM 0 HB3 ASN A 24 -10.910 0.417 -1.527 1.00 54.23 H new ATOM 0 HD21 ASN A 24 -8.799 -1.046 0.943 1.00 72.41 H new ATOM 0 HD22 ASN A 24 -10.428 -0.482 0.558 1.00 72.41 H new ATOM 392 N GLU A 25 -10.692 2.966 -4.142 1.00 63.11 N ATOM 393 CA GLU A 25 -11.706 3.531 -5.049 1.00 22.43 C ATOM 394 C GLU A 25 -11.185 3.638 -6.493 1.00 10.32 C ATOM 395 O GLU A 25 -11.930 3.438 -7.452 1.00 72.51 O ATOM 396 CB GLU A 25 -12.145 4.918 -4.564 1.00 32.51 C ATOM 397 CG GLU A 25 -12.886 4.900 -3.232 1.00 51.20 C ATOM 398 CD GLU A 25 -13.354 6.275 -2.775 1.00 42.12 C ATOM 399 OE1 GLU A 25 -13.376 7.217 -3.599 1.00 24.50 O ATOM 400 OE2 GLU A 25 -13.712 6.418 -1.583 1.00 52.23 O ATOM 0 H GLU A 25 -10.032 3.651 -3.775 1.00 63.11 H new ATOM 0 HA GLU A 25 -12.558 2.852 -5.042 1.00 22.43 H new ATOM 0 HB2 GLU A 25 -11.265 5.555 -4.471 1.00 32.51 H new ATOM 0 HB3 GLU A 25 -12.787 5.370 -5.320 1.00 32.51 H new ATOM 0 HG2 GLU A 25 -13.750 4.241 -3.316 1.00 51.20 H new ATOM 0 HG3 GLU A 25 -12.234 4.475 -2.469 1.00 51.20 H new ATOM 407 N LYS A 26 -9.904 3.967 -6.640 1.00 50.20 N ATOM 408 CA LYS A 26 -9.290 4.138 -7.963 1.00 73.22 C ATOM 409 C LYS A 26 -9.108 2.790 -8.672 1.00 61.44 C ATOM 410 O LYS A 26 -9.113 2.716 -9.901 1.00 43.03 O ATOM 411 CB LYS A 26 -7.933 4.852 -7.840 1.00 2.20 C ATOM 412 CG LYS A 26 -7.997 6.203 -7.121 1.00 34.15 C ATOM 413 CD LYS A 26 -8.948 7.186 -7.805 1.00 61.43 C ATOM 414 CE LYS A 26 -8.422 7.651 -9.160 1.00 55.45 C ATOM 415 NZ LYS A 26 -7.196 8.483 -9.030 1.00 21.14 N ATOM 0 H LYS A 26 -9.266 4.122 -5.860 1.00 50.20 H new ATOM 0 HA LYS A 26 -9.963 4.751 -8.562 1.00 73.22 H new ATOM 0 HB2 LYS A 26 -7.240 4.202 -7.306 1.00 2.20 H new ATOM 0 HB3 LYS A 26 -7.523 5.004 -8.839 1.00 2.20 H new ATOM 0 HG2 LYS A 26 -8.319 6.048 -6.091 1.00 34.15 H new ATOM 0 HG3 LYS A 26 -6.998 6.637 -7.081 1.00 34.15 H new ATOM 0 HD2 LYS A 26 -9.921 6.714 -7.938 1.00 61.43 H new ATOM 0 HD3 LYS A 26 -9.099 8.051 -7.160 1.00 61.43 H new ATOM 0 HE2 LYS A 26 -8.205 6.782 -9.782 1.00 55.45 H new ATOM 0 HE3 LYS A 26 -9.196 8.224 -9.671 1.00 55.45 H new ATOM 0 HZ1 LYS A 26 -7.372 9.425 -9.433 1.00 21.14 H new ATOM 0 HZ2 LYS A 26 -6.946 8.578 -8.025 1.00 21.14 H new ATOM 0 HZ3 LYS A 26 -6.412 8.028 -9.541 1.00 21.14 H new ATOM 429 N ARG A 27 -8.939 1.725 -7.888 1.00 21.33 N ATOM 430 CA ARG A 27 -8.775 0.373 -8.436 1.00 32.24 C ATOM 431 C ARG A 27 -9.586 -0.676 -7.660 1.00 71.14 C ATOM 432 O ARG A 27 -10.193 -0.385 -6.627 1.00 24.15 O ATOM 433 CB ARG A 27 -7.292 -0.027 -8.456 1.00 13.03 C ATOM 434 CG ARG A 27 -6.482 0.637 -9.567 1.00 42.13 C ATOM 435 CD ARG A 27 -7.126 0.415 -10.935 1.00 15.44 C ATOM 436 NE ARG A 27 -6.165 0.526 -12.024 1.00 11.01 N ATOM 437 CZ ARG A 27 -6.373 1.192 -13.123 1.00 72.12 C ATOM 438 NH1 ARG A 27 -7.447 1.904 -13.275 1.00 44.01 N ATOM 439 NH2 ARG A 27 -5.497 1.144 -14.069 1.00 60.24 N ATOM 0 H ARG A 27 -8.912 1.770 -6.869 1.00 21.33 H new ATOM 0 HA ARG A 27 -9.159 0.399 -9.456 1.00 32.24 H new ATOM 0 HB2 ARG A 27 -6.845 0.226 -7.494 1.00 13.03 H new ATOM 0 HB3 ARG A 27 -7.220 -1.109 -8.566 1.00 13.03 H new ATOM 0 HG2 ARG A 27 -6.400 1.706 -9.371 1.00 42.13 H new ATOM 0 HG3 ARG A 27 -5.469 0.235 -9.571 1.00 42.13 H new ATOM 0 HD2 ARG A 27 -7.588 -0.572 -10.961 1.00 15.44 H new ATOM 0 HD3 ARG A 27 -7.923 1.144 -11.081 1.00 15.44 H new ATOM 0 HE ARG A 27 -5.269 0.050 -11.918 1.00 11.01 H new ATOM 0 HH11 ARG A 27 -8.141 1.947 -12.528 1.00 44.01 H new ATOM 0 HH12 ARG A 27 -7.598 2.421 -14.141 1.00 44.01 H new ATOM 0 HH21 ARG A 27 -4.650 0.588 -13.952 1.00 60.24 H new ATOM 0 HH22 ARG A 27 -5.651 1.662 -14.934 1.00 60.24 H new ATOM 453 N ARG A 28 -9.569 -1.906 -8.172 1.00 74.21 N ATOM 454 CA ARG A 28 -10.296 -3.027 -7.569 1.00 73.30 C ATOM 455 C ARG A 28 -9.439 -4.298 -7.592 1.00 34.31 C ATOM 456 O ARG A 28 -8.525 -4.419 -8.412 1.00 62.02 O ATOM 457 CB ARG A 28 -11.625 -3.274 -8.306 1.00 14.14 C ATOM 458 CG ARG A 28 -11.491 -3.827 -9.731 1.00 70.12 C ATOM 459 CD ARG A 28 -10.950 -2.794 -10.716 1.00 34.12 C ATOM 460 NE ARG A 28 -10.832 -3.334 -12.069 1.00 44.20 N ATOM 461 CZ ARG A 28 -10.153 -2.766 -13.027 1.00 54.21 C ATOM 462 NH1 ARG A 28 -9.577 -1.621 -12.840 1.00 24.04 N ATOM 463 NH2 ARG A 28 -10.079 -3.328 -14.189 1.00 1.32 N ATOM 0 H ARG A 28 -9.052 -2.155 -9.015 1.00 74.21 H new ATOM 0 HA ARG A 28 -10.516 -2.770 -6.533 1.00 73.30 H new ATOM 0 HB2 ARG A 28 -12.223 -3.970 -7.718 1.00 14.14 H new ATOM 0 HB3 ARG A 28 -12.178 -2.336 -8.348 1.00 14.14 H new ATOM 0 HG2 ARG A 28 -10.829 -4.693 -9.719 1.00 70.12 H new ATOM 0 HG3 ARG A 28 -12.465 -4.175 -10.074 1.00 70.12 H new ATOM 0 HD2 ARG A 28 -11.609 -1.926 -10.729 1.00 34.12 H new ATOM 0 HD3 ARG A 28 -9.973 -2.448 -10.378 1.00 34.12 H new ATOM 0 HE ARG A 28 -11.311 -4.210 -12.277 1.00 44.20 H new ATOM 0 HH11 ARG A 28 -9.652 -1.154 -11.936 1.00 24.04 H new ATOM 0 HH12 ARG A 28 -9.049 -1.186 -13.596 1.00 24.04 H new ATOM 0 HH21 ARG A 28 -10.552 -4.216 -14.357 1.00 1.32 H new ATOM 0 HH22 ARG A 28 -9.548 -2.883 -14.938 1.00 1.32 H new ATOM 477 N GLY A 29 -9.731 -5.242 -6.701 1.00 44.54 N ATOM 478 CA GLY A 29 -8.948 -6.473 -6.633 1.00 24.14 C ATOM 479 C GLY A 29 -7.535 -6.237 -6.107 1.00 33.12 C ATOM 480 O GLY A 29 -6.547 -6.587 -6.757 1.00 2.22 O ATOM 0 H GLY A 29 -10.493 -5.181 -6.025 1.00 44.54 H new ATOM 0 HA2 GLY A 29 -9.458 -7.189 -5.988 1.00 24.14 H new ATOM 0 HA3 GLY A 29 -8.893 -6.920 -7.625 1.00 24.14 H new ATOM 484 N LEU A 30 -7.443 -5.629 -4.927 1.00 44.04 N ATOM 485 CA LEU A 30 -6.148 -5.310 -4.315 1.00 42.50 C ATOM 486 C LEU A 30 -5.783 -6.326 -3.221 1.00 62.23 C ATOM 487 O LEU A 30 -6.651 -7.004 -2.671 1.00 24.33 O ATOM 488 CB LEU A 30 -6.178 -3.896 -3.715 1.00 23.15 C ATOM 489 CG LEU A 30 -6.653 -2.781 -4.668 1.00 44.32 C ATOM 490 CD1 LEU A 30 -6.651 -1.425 -3.966 1.00 4.40 C ATOM 491 CD2 LEU A 30 -5.803 -2.741 -5.938 1.00 71.14 C ATOM 0 H LEU A 30 -8.250 -5.345 -4.371 1.00 44.04 H new ATOM 0 HA LEU A 30 -5.390 -5.358 -5.097 1.00 42.50 H new ATOM 0 HB2 LEU A 30 -6.829 -3.905 -2.841 1.00 23.15 H new ATOM 0 HB3 LEU A 30 -5.176 -3.648 -3.364 1.00 23.15 H new ATOM 0 HG LEU A 30 -7.678 -3.007 -4.961 1.00 44.32 H new ATOM 0 HD11 LEU A 30 -6.990 -0.656 -4.660 1.00 4.40 H new ATOM 0 HD12 LEU A 30 -7.321 -1.459 -3.107 1.00 4.40 H new ATOM 0 HD13 LEU A 30 -5.641 -1.191 -3.630 1.00 4.40 H new ATOM 0 HD21 LEU A 30 -6.161 -1.945 -6.591 1.00 71.14 H new ATOM 0 HD22 LEU A 30 -4.762 -2.553 -5.674 1.00 71.14 H new ATOM 0 HD23 LEU A 30 -5.878 -3.697 -6.456 1.00 71.14 H new ATOM 503 N LYS A 31 -4.495 -6.413 -2.905 1.00 11.31 N ATOM 504 CA LYS A 31 -4.001 -7.330 -1.866 1.00 13.45 C ATOM 505 C LYS A 31 -3.075 -6.605 -0.878 1.00 2.43 C ATOM 506 O LYS A 31 -1.928 -6.304 -1.204 1.00 1.41 O ATOM 507 CB LYS A 31 -3.248 -8.508 -2.511 1.00 53.45 C ATOM 508 CG LYS A 31 -2.654 -9.488 -1.498 1.00 61.44 C ATOM 509 CD LYS A 31 -1.755 -10.532 -2.158 1.00 72.31 C ATOM 510 CE LYS A 31 -2.522 -11.438 -3.114 1.00 34.12 C ATOM 511 NZ LYS A 31 -1.642 -12.474 -3.718 1.00 71.31 N ATOM 0 H LYS A 31 -3.765 -5.859 -3.353 1.00 11.31 H new ATOM 0 HA LYS A 31 -4.864 -7.707 -1.316 1.00 13.45 H new ATOM 0 HB2 LYS A 31 -3.930 -9.048 -3.168 1.00 53.45 H new ATOM 0 HB3 LYS A 31 -2.446 -8.116 -3.137 1.00 53.45 H new ATOM 0 HG2 LYS A 31 -2.079 -8.935 -0.755 1.00 61.44 H new ATOM 0 HG3 LYS A 31 -3.462 -9.991 -0.966 1.00 61.44 H new ATOM 0 HD2 LYS A 31 -0.956 -10.028 -2.702 1.00 72.31 H new ATOM 0 HD3 LYS A 31 -1.282 -11.140 -1.387 1.00 72.31 H new ATOM 0 HE2 LYS A 31 -3.339 -11.922 -2.579 1.00 34.12 H new ATOM 0 HE3 LYS A 31 -2.970 -10.836 -3.904 1.00 34.12 H new ATOM 0 HZ1 LYS A 31 -2.200 -13.071 -4.362 1.00 71.31 H new ATOM 0 HZ2 LYS A 31 -0.876 -12.012 -4.249 1.00 71.31 H new ATOM 0 HZ3 LYS A 31 -1.234 -13.065 -2.965 1.00 71.31 H new ATOM 525 N TYR A 32 -3.581 -6.315 0.321 1.00 3.23 N ATOM 526 CA TYR A 32 -2.770 -5.699 1.384 1.00 13.12 C ATOM 527 C TYR A 32 -2.231 -6.767 2.354 1.00 4.33 C ATOM 528 O TYR A 32 -2.964 -7.262 3.215 1.00 52.12 O ATOM 529 CB TYR A 32 -3.601 -4.671 2.170 1.00 15.32 C ATOM 530 CG TYR A 32 -3.960 -3.409 1.398 1.00 64.31 C ATOM 531 CD1 TYR A 32 -5.070 -3.366 0.557 1.00 72.13 C ATOM 532 CD2 TYR A 32 -3.195 -2.253 1.528 1.00 10.23 C ATOM 533 CE1 TYR A 32 -5.402 -2.211 -0.129 1.00 54.34 C ATOM 534 CE2 TYR A 32 -3.524 -1.096 0.849 1.00 71.34 C ATOM 535 CZ TYR A 32 -4.626 -1.080 0.023 1.00 63.21 C ATOM 536 OH TYR A 32 -4.952 0.074 -0.652 1.00 33.14 O ATOM 0 H TYR A 32 -4.550 -6.495 0.585 1.00 3.23 H new ATOM 0 HA TYR A 32 -1.928 -5.195 0.908 1.00 13.12 H new ATOM 0 HB2 TYR A 32 -4.522 -5.149 2.504 1.00 15.32 H new ATOM 0 HB3 TYR A 32 -3.047 -4.386 3.065 1.00 15.32 H new ATOM 0 HD1 TYR A 32 -5.681 -4.248 0.439 1.00 72.13 H new ATOM 0 HD2 TYR A 32 -2.328 -2.261 2.172 1.00 10.23 H new ATOM 0 HE1 TYR A 32 -6.264 -2.195 -0.780 1.00 54.34 H new ATOM 0 HE2 TYR A 32 -2.920 -0.208 0.965 1.00 71.34 H new ATOM 0 HH TYR A 32 -5.925 0.128 -0.757 1.00 33.14 H new ATOM 546 N GLU A 33 -0.956 -7.130 2.219 1.00 22.50 N ATOM 547 CA GLU A 33 -0.351 -8.149 3.091 1.00 22.42 C ATOM 548 C GLU A 33 0.827 -7.593 3.907 1.00 63.31 C ATOM 549 O GLU A 33 1.316 -6.491 3.657 1.00 35.31 O ATOM 550 CB GLU A 33 0.116 -9.358 2.272 1.00 44.43 C ATOM 551 CG GLU A 33 1.249 -9.056 1.301 1.00 23.02 C ATOM 552 CD GLU A 33 1.785 -10.311 0.630 1.00 25.01 C ATOM 553 OE1 GLU A 33 1.151 -10.798 -0.334 1.00 61.53 O ATOM 554 OE2 GLU A 33 2.826 -10.830 1.077 1.00 43.13 O ATOM 0 H GLU A 33 -0.322 -6.740 1.521 1.00 22.50 H new ATOM 0 HA GLU A 33 -1.126 -8.461 3.791 1.00 22.42 H new ATOM 0 HB2 GLU A 33 0.439 -10.143 2.956 1.00 44.43 H new ATOM 0 HB3 GLU A 33 -0.732 -9.752 1.712 1.00 44.43 H new ATOM 0 HG2 GLU A 33 0.896 -8.362 0.539 1.00 23.02 H new ATOM 0 HG3 GLU A 33 2.059 -8.558 1.835 1.00 23.02 H new ATOM 561 N LEU A 34 1.274 -8.379 4.883 1.00 2.33 N ATOM 562 CA LEU A 34 2.363 -7.980 5.784 1.00 60.02 C ATOM 563 C LEU A 34 3.712 -8.578 5.347 1.00 75.10 C ATOM 564 O LEU A 34 3.864 -9.800 5.263 1.00 62.23 O ATOM 565 CB LEU A 34 2.043 -8.428 7.217 1.00 44.04 C ATOM 566 CG LEU A 34 3.141 -8.155 8.259 1.00 34.13 C ATOM 567 CD1 LEU A 34 3.351 -6.654 8.454 1.00 43.33 C ATOM 568 CD2 LEU A 34 2.805 -8.835 9.582 1.00 33.55 C ATOM 0 H LEU A 34 0.897 -9.307 5.075 1.00 2.33 H new ATOM 0 HA LEU A 34 2.447 -6.894 5.743 1.00 60.02 H new ATOM 0 HB2 LEU A 34 1.129 -7.929 7.539 1.00 44.04 H new ATOM 0 HB3 LEU A 34 1.835 -9.498 7.206 1.00 44.04 H new ATOM 0 HG LEU A 34 4.075 -8.576 7.887 1.00 34.13 H new ATOM 0 HD11 LEU A 34 4.133 -6.489 9.196 1.00 43.33 H new ATOM 0 HD12 LEU A 34 3.648 -6.202 7.508 1.00 43.33 H new ATOM 0 HD13 LEU A 34 2.422 -6.198 8.798 1.00 43.33 H new ATOM 0 HD21 LEU A 34 3.593 -8.631 10.307 1.00 33.55 H new ATOM 0 HD22 LEU A 34 1.857 -8.450 9.958 1.00 33.55 H new ATOM 0 HD23 LEU A 34 2.724 -9.911 9.428 1.00 33.55 H new ATOM 580 N ILE A 35 4.693 -7.716 5.088 1.00 53.33 N ATOM 581 CA ILE A 35 6.032 -8.168 4.693 1.00 4.11 C ATOM 582 C ILE A 35 6.947 -8.342 5.916 1.00 50.02 C ATOM 583 O ILE A 35 7.586 -9.383 6.086 1.00 53.52 O ATOM 584 CB ILE A 35 6.691 -7.180 3.699 1.00 30.10 C ATOM 585 CG1 ILE A 35 5.798 -6.983 2.462 1.00 62.53 C ATOM 586 CG2 ILE A 35 8.080 -7.672 3.288 1.00 34.35 C ATOM 587 CD1 ILE A 35 5.489 -8.267 1.715 1.00 13.03 C ATOM 0 H ILE A 35 4.590 -6.703 5.143 1.00 53.33 H new ATOM 0 HA ILE A 35 5.907 -9.133 4.203 1.00 4.11 H new ATOM 0 HB ILE A 35 6.805 -6.218 4.198 1.00 30.10 H new ATOM 0 HG12 ILE A 35 4.861 -6.521 2.773 1.00 62.53 H new ATOM 0 HG13 ILE A 35 6.287 -6.287 1.781 1.00 62.53 H new ATOM 0 HG21 ILE A 35 8.525 -6.963 2.590 1.00 34.35 H new ATOM 0 HG22 ILE A 35 8.712 -7.756 4.172 1.00 34.35 H new ATOM 0 HG23 ILE A 35 7.994 -8.647 2.809 1.00 34.35 H new ATOM 0 HD11 ILE A 35 4.855 -8.045 0.856 1.00 13.03 H new ATOM 0 HD12 ILE A 35 6.419 -8.721 1.372 1.00 13.03 H new ATOM 0 HD13 ILE A 35 4.971 -8.959 2.379 1.00 13.03 H new ATOM 599 N SER A 36 7.000 -7.322 6.770 1.00 15.41 N ATOM 600 CA SER A 36 7.866 -7.343 7.960 1.00 21.03 C ATOM 601 C SER A 36 7.280 -6.481 9.084 1.00 14.34 C ATOM 602 O SER A 36 6.474 -5.589 8.829 1.00 72.31 O ATOM 603 CB SER A 36 9.269 -6.834 7.603 1.00 40.43 C ATOM 604 OG SER A 36 10.142 -6.868 8.724 1.00 64.21 O ATOM 0 H SER A 36 6.455 -6.466 6.665 1.00 15.41 H new ATOM 0 HA SER A 36 7.930 -8.374 8.309 1.00 21.03 H new ATOM 0 HB2 SER A 36 9.684 -7.444 6.800 1.00 40.43 H new ATOM 0 HB3 SER A 36 9.201 -5.814 7.226 1.00 40.43 H new ATOM 0 HG SER A 36 11.026 -6.539 8.460 1.00 64.21 H new ATOM 610 N GLU A 37 7.670 -6.761 10.325 1.00 35.23 N ATOM 611 CA GLU A 37 7.234 -5.956 11.472 1.00 62.21 C ATOM 612 C GLU A 37 8.100 -6.213 12.716 1.00 72.23 C ATOM 613 O GLU A 37 8.652 -7.299 12.892 1.00 51.21 O ATOM 614 CB GLU A 37 5.738 -6.192 11.771 1.00 11.24 C ATOM 615 CG GLU A 37 5.320 -7.656 11.940 1.00 53.35 C ATOM 616 CD GLU A 37 5.705 -8.250 13.286 1.00 31.01 C ATOM 617 OE1 GLU A 37 5.167 -7.795 14.321 1.00 44.45 O ATOM 618 OE2 GLU A 37 6.524 -9.193 13.317 1.00 52.20 O ATOM 0 H GLU A 37 8.286 -7.537 10.566 1.00 35.23 H new ATOM 0 HA GLU A 37 7.365 -4.907 11.205 1.00 62.21 H new ATOM 0 HB2 GLU A 37 5.478 -5.651 12.681 1.00 11.24 H new ATOM 0 HB3 GLU A 37 5.151 -5.756 10.962 1.00 11.24 H new ATOM 0 HG2 GLU A 37 4.240 -7.733 11.814 1.00 53.35 H new ATOM 0 HG3 GLU A 37 5.776 -8.249 11.147 1.00 53.35 H new ATOM 625 N THR A 38 8.237 -5.193 13.564 1.00 73.11 N ATOM 626 CA THR A 38 8.985 -5.314 14.828 1.00 1.11 C ATOM 627 C THR A 38 8.215 -4.662 15.985 1.00 12.53 C ATOM 628 O THR A 38 7.119 -4.132 15.792 1.00 25.21 O ATOM 629 CB THR A 38 10.385 -4.650 14.749 1.00 53.53 C ATOM 630 OG1 THR A 38 10.252 -3.223 14.661 1.00 31.44 O ATOM 631 CG2 THR A 38 11.182 -5.161 13.552 1.00 12.03 C ATOM 0 H THR A 38 7.840 -4.267 13.402 1.00 73.11 H new ATOM 0 HA THR A 38 9.107 -6.383 15.005 1.00 1.11 H new ATOM 0 HB THR A 38 10.926 -4.914 15.658 1.00 53.53 H new ATOM 0 HG1 THR A 38 10.545 -2.815 15.502 1.00 31.44 H new ATOM 0 HG21 THR A 38 12.157 -4.674 13.529 1.00 12.03 H new ATOM 0 HG22 THR A 38 11.317 -6.239 13.638 1.00 12.03 H new ATOM 0 HG23 THR A 38 10.642 -4.936 12.632 1.00 12.03 H new ATOM 639 N GLY A 39 8.785 -4.712 17.188 1.00 24.33 N ATOM 640 CA GLY A 39 8.158 -4.069 18.341 1.00 71.51 C ATOM 641 C GLY A 39 8.943 -4.244 19.639 1.00 4.05 C ATOM 642 O GLY A 39 8.365 -4.238 20.729 1.00 34.04 O ATOM 0 H GLY A 39 9.667 -5.184 17.388 1.00 24.33 H new ATOM 0 HA2 GLY A 39 8.044 -3.005 18.136 1.00 71.51 H new ATOM 0 HA3 GLY A 39 7.156 -4.477 18.474 1.00 71.51 H new ATOM 646 N GLY A 40 10.261 -4.380 19.529 1.00 71.22 N ATOM 647 CA GLY A 40 11.102 -4.577 20.706 1.00 21.11 C ATOM 648 C GLY A 40 11.490 -3.275 21.405 1.00 72.03 C ATOM 649 O GLY A 40 12.675 -2.982 21.564 1.00 34.45 O ATOM 0 H GLY A 40 10.767 -4.358 18.644 1.00 71.22 H new ATOM 0 HA2 GLY A 40 10.577 -5.217 21.415 1.00 21.11 H new ATOM 0 HA3 GLY A 40 12.009 -5.105 20.410 1.00 21.11 H new ATOM 653 N SER A 41 10.482 -2.491 21.804 1.00 61.53 N ATOM 654 CA SER A 41 10.678 -1.246 22.578 1.00 35.22 C ATOM 655 C SER A 41 11.367 -0.120 21.779 1.00 62.20 C ATOM 656 O SER A 41 10.760 0.926 21.528 1.00 54.32 O ATOM 657 CB SER A 41 11.457 -1.522 23.876 1.00 41.43 C ATOM 658 OG SER A 41 10.737 -2.400 24.729 1.00 51.21 O ATOM 0 H SER A 41 9.504 -2.697 21.602 1.00 61.53 H new ATOM 0 HA SER A 41 9.676 -0.890 22.819 1.00 35.22 H new ATOM 0 HB2 SER A 41 12.427 -1.958 23.636 1.00 41.43 H new ATOM 0 HB3 SER A 41 11.649 -0.583 24.395 1.00 41.43 H new ATOM 0 HG SER A 41 11.255 -2.560 25.546 1.00 51.21 H new ATOM 664 N HIS A 42 12.632 -0.326 21.400 1.00 10.44 N ATOM 665 CA HIS A 42 13.444 0.717 20.750 1.00 44.43 C ATOM 666 C HIS A 42 12.790 1.300 19.480 1.00 42.30 C ATOM 667 O HIS A 42 12.625 2.516 19.372 1.00 32.30 O ATOM 668 CB HIS A 42 14.840 0.173 20.419 1.00 1.53 C ATOM 669 CG HIS A 42 15.760 1.191 19.812 1.00 51.51 C ATOM 670 ND1 HIS A 42 16.504 2.074 20.562 1.00 64.23 N ATOM 671 CD2 HIS A 42 16.053 1.469 18.518 1.00 15.52 C ATOM 672 CE1 HIS A 42 17.207 2.847 19.763 1.00 44.15 C ATOM 673 NE2 HIS A 42 16.953 2.504 18.519 1.00 14.42 N ATOM 0 H HIS A 42 13.122 -1.211 21.532 1.00 10.44 H new ATOM 0 HA HIS A 42 13.522 1.536 21.465 1.00 44.43 H new ATOM 0 HB2 HIS A 42 15.294 -0.215 21.331 1.00 1.53 H new ATOM 0 HB3 HIS A 42 14.739 -0.667 19.731 1.00 1.53 H new ATOM 0 HD2 HIS A 42 15.653 0.969 17.649 1.00 15.52 H new ATOM 0 HE1 HIS A 42 17.880 3.632 20.076 1.00 44.15 H new ATOM 0 HE2 HIS A 42 17.359 2.937 17.690 1.00 14.42 H new ATOM 682 N ASP A 43 12.440 0.447 18.513 1.00 4.04 N ATOM 683 CA ASP A 43 11.850 0.925 17.250 1.00 42.23 C ATOM 684 C ASP A 43 10.769 -0.028 16.711 1.00 4.21 C ATOM 685 O ASP A 43 10.918 -1.250 16.753 1.00 51.33 O ATOM 686 CB ASP A 43 12.954 1.123 16.197 1.00 11.03 C ATOM 687 CG ASP A 43 12.427 1.669 14.876 1.00 21.52 C ATOM 688 OD1 ASP A 43 11.662 2.660 14.899 1.00 0.41 O ATOM 689 OD2 ASP A 43 12.775 1.113 13.809 1.00 14.11 O ATOM 0 H ASP A 43 12.551 -0.565 18.574 1.00 4.04 H new ATOM 0 HA ASP A 43 11.364 1.878 17.458 1.00 42.23 H new ATOM 0 HB2 ASP A 43 13.706 1.806 16.592 1.00 11.03 H new ATOM 0 HB3 ASP A 43 13.452 0.170 16.017 1.00 11.03 H new ATOM 694 N LYS A 44 9.680 0.552 16.207 1.00 13.23 N ATOM 695 CA LYS A 44 8.607 -0.214 15.568 1.00 23.30 C ATOM 696 C LYS A 44 8.669 -0.065 14.041 1.00 15.10 C ATOM 697 O LYS A 44 8.358 0.995 13.500 1.00 51.35 O ATOM 698 CB LYS A 44 7.248 0.242 16.088 1.00 64.34 C ATOM 699 CG LYS A 44 7.018 -0.140 17.544 1.00 3.33 C ATOM 700 CD LYS A 44 5.550 -0.409 17.841 1.00 44.32 C ATOM 701 CE LYS A 44 4.745 0.869 18.097 1.00 4.44 C ATOM 702 NZ LYS A 44 4.724 1.776 16.917 1.00 22.24 N ATOM 0 H LYS A 44 9.516 1.558 16.229 1.00 13.23 H new ATOM 0 HA LYS A 44 8.743 -1.266 15.817 1.00 23.30 H new ATOM 0 HB2 LYS A 44 7.168 1.324 15.983 1.00 64.34 H new ATOM 0 HB3 LYS A 44 6.462 -0.197 15.473 1.00 64.34 H new ATOM 0 HG2 LYS A 44 7.604 -1.028 17.782 1.00 3.33 H new ATOM 0 HG3 LYS A 44 7.377 0.662 18.190 1.00 3.33 H new ATOM 0 HD2 LYS A 44 5.109 -0.948 17.002 1.00 44.32 H new ATOM 0 HD3 LYS A 44 5.475 -1.059 18.713 1.00 44.32 H new ATOM 0 HE2 LYS A 44 3.722 0.603 18.365 1.00 4.44 H new ATOM 0 HE3 LYS A 44 5.170 1.398 18.950 1.00 4.44 H new ATOM 0 HZ1 LYS A 44 3.885 2.389 16.965 1.00 22.24 H new ATOM 0 HZ2 LYS A 44 5.582 2.363 16.915 1.00 22.24 H new ATOM 0 HZ3 LYS A 44 4.690 1.210 16.045 1.00 22.24 H new ATOM 716 N ARG A 45 9.075 -1.126 13.355 1.00 33.13 N ATOM 717 CA ARG A 45 9.266 -1.089 11.904 1.00 32.01 C ATOM 718 C ARG A 45 8.278 -2.023 11.184 1.00 42.20 C ATOM 719 O ARG A 45 8.508 -3.225 11.082 1.00 14.10 O ATOM 720 CB ARG A 45 10.712 -1.493 11.571 1.00 13.32 C ATOM 721 CG ARG A 45 11.135 -1.191 10.137 1.00 2.44 C ATOM 722 CD ARG A 45 11.122 0.308 9.852 1.00 33.14 C ATOM 723 NE ARG A 45 11.869 1.063 10.859 1.00 65.33 N ATOM 724 CZ ARG A 45 12.649 2.075 10.599 1.00 43.21 C ATOM 725 NH1 ARG A 45 12.883 2.442 9.380 1.00 3.30 N ATOM 726 NH2 ARG A 45 13.213 2.705 11.573 1.00 41.43 N ATOM 0 H ARG A 45 9.280 -2.030 13.780 1.00 33.13 H new ATOM 0 HA ARG A 45 9.076 -0.074 11.556 1.00 32.01 H new ATOM 0 HB2 ARG A 45 11.387 -0.976 12.253 1.00 13.32 H new ATOM 0 HB3 ARG A 45 10.830 -2.561 11.755 1.00 13.32 H new ATOM 0 HG2 ARG A 45 12.135 -1.587 9.961 1.00 2.44 H new ATOM 0 HG3 ARG A 45 10.464 -1.700 9.444 1.00 2.44 H new ATOM 0 HD2 ARG A 45 11.551 0.494 8.867 1.00 33.14 H new ATOM 0 HD3 ARG A 45 10.092 0.663 9.823 1.00 33.14 H new ATOM 0 HE ARG A 45 11.773 0.777 11.833 1.00 65.33 H new ATOM 0 HH11 ARG A 45 12.454 1.937 8.604 1.00 3.30 H new ATOM 0 HH12 ARG A 45 13.496 3.236 9.195 1.00 3.30 H new ATOM 0 HH21 ARG A 45 13.047 2.410 12.535 1.00 41.43 H new ATOM 0 HH22 ARG A 45 13.825 3.498 11.381 1.00 41.43 H new ATOM 740 N PHE A 46 7.171 -1.464 10.702 1.00 43.13 N ATOM 741 CA PHE A 46 6.153 -2.246 9.988 1.00 35.15 C ATOM 742 C PHE A 46 6.211 -1.995 8.471 1.00 10.12 C ATOM 743 O PHE A 46 6.099 -0.857 8.012 1.00 0.14 O ATOM 744 CB PHE A 46 4.751 -1.914 10.525 1.00 61.44 C ATOM 745 CG PHE A 46 4.519 -2.372 11.948 1.00 54.14 C ATOM 746 CD1 PHE A 46 5.127 -1.724 13.015 1.00 63.31 C ATOM 747 CD2 PHE A 46 3.694 -3.456 12.214 1.00 30.22 C ATOM 748 CE1 PHE A 46 4.913 -2.147 14.315 1.00 33.32 C ATOM 749 CE2 PHE A 46 3.480 -3.882 13.509 1.00 71.22 C ATOM 750 CZ PHE A 46 4.090 -3.228 14.561 1.00 61.45 C ATOM 0 H PHE A 46 6.952 -0.472 10.791 1.00 43.13 H new ATOM 0 HA PHE A 46 6.363 -3.301 10.162 1.00 35.15 H new ATOM 0 HB2 PHE A 46 4.597 -0.836 10.470 1.00 61.44 H new ATOM 0 HB3 PHE A 46 4.005 -2.376 9.878 1.00 61.44 H new ATOM 0 HD1 PHE A 46 5.774 -0.880 12.828 1.00 63.31 H new ATOM 0 HD2 PHE A 46 3.213 -3.973 11.397 1.00 30.22 H new ATOM 0 HE1 PHE A 46 5.389 -1.632 15.136 1.00 33.32 H new ATOM 0 HE2 PHE A 46 2.835 -4.727 13.700 1.00 71.22 H new ATOM 0 HZ PHE A 46 3.924 -3.561 15.575 1.00 61.45 H new ATOM 760 N VAL A 47 6.395 -3.068 7.705 1.00 34.50 N ATOM 761 CA VAL A 47 6.449 -2.999 6.240 1.00 54.02 C ATOM 762 C VAL A 47 5.269 -3.759 5.610 1.00 43.34 C ATOM 763 O VAL A 47 5.165 -4.984 5.737 1.00 5.33 O ATOM 764 CB VAL A 47 7.773 -3.595 5.694 1.00 55.45 C ATOM 765 CG1 VAL A 47 7.872 -3.404 4.181 1.00 24.52 C ATOM 766 CG2 VAL A 47 8.981 -2.987 6.403 1.00 40.45 C ATOM 0 H VAL A 47 6.511 -4.010 8.078 1.00 34.50 H new ATOM 0 HA VAL A 47 6.392 -1.944 5.970 1.00 54.02 H new ATOM 0 HB VAL A 47 7.770 -4.666 5.899 1.00 55.45 H new ATOM 0 HG11 VAL A 47 8.809 -3.830 3.821 1.00 24.52 H new ATOM 0 HG12 VAL A 47 7.035 -3.906 3.695 1.00 24.52 H new ATOM 0 HG13 VAL A 47 7.843 -2.340 3.946 1.00 24.52 H new ATOM 0 HG21 VAL A 47 9.896 -3.422 6.001 1.00 40.45 H new ATOM 0 HG22 VAL A 47 8.992 -1.909 6.244 1.00 40.45 H new ATOM 0 HG23 VAL A 47 8.919 -3.195 7.471 1.00 40.45 H new ATOM 776 N MET A 48 4.389 -3.032 4.933 1.00 20.14 N ATOM 777 CA MET A 48 3.214 -3.629 4.281 1.00 4.03 C ATOM 778 C MET A 48 3.346 -3.580 2.752 1.00 13.00 C ATOM 779 O MET A 48 4.090 -2.759 2.212 1.00 34.05 O ATOM 780 CB MET A 48 1.943 -2.889 4.718 1.00 5.21 C ATOM 781 CG MET A 48 1.700 -2.916 6.223 1.00 32.44 C ATOM 782 SD MET A 48 1.315 -4.561 6.850 1.00 14.41 S ATOM 783 CE MET A 48 -0.270 -4.863 6.071 1.00 43.33 C ATOM 0 H MET A 48 4.462 -2.021 4.817 1.00 20.14 H new ATOM 0 HA MET A 48 3.150 -4.674 4.585 1.00 4.03 H new ATOM 0 HB2 MET A 48 2.007 -1.852 4.389 1.00 5.21 H new ATOM 0 HB3 MET A 48 1.085 -3.332 4.213 1.00 5.21 H new ATOM 0 HG2 MET A 48 2.585 -2.537 6.734 1.00 32.44 H new ATOM 0 HG3 MET A 48 0.879 -2.241 6.464 1.00 32.44 H new ATOM 0 HE1 MET A 48 -0.744 -5.728 6.534 1.00 43.33 H new ATOM 0 HE2 MET A 48 -0.909 -3.989 6.195 1.00 43.33 H new ATOM 0 HE3 MET A 48 -0.122 -5.056 5.008 1.00 43.33 H new ATOM 793 N GLU A 49 2.614 -4.454 2.062 1.00 52.55 N ATOM 794 CA GLU A 49 2.652 -4.521 0.594 1.00 1.12 C ATOM 795 C GLU A 49 1.233 -4.564 0.000 1.00 30.30 C ATOM 796 O GLU A 49 0.333 -5.187 0.565 1.00 61.11 O ATOM 797 CB GLU A 49 3.448 -5.758 0.149 1.00 43.24 C ATOM 798 CG GLU A 49 3.552 -5.934 -1.365 1.00 22.33 C ATOM 799 CD GLU A 49 4.467 -7.086 -1.765 1.00 72.45 C ATOM 800 OE1 GLU A 49 3.992 -8.239 -1.835 1.00 71.53 O ATOM 801 OE2 GLU A 49 5.667 -6.843 -2.015 1.00 74.30 O ATOM 0 H GLU A 49 1.984 -5.130 2.494 1.00 52.55 H new ATOM 0 HA GLU A 49 3.144 -3.621 0.225 1.00 1.12 H new ATOM 0 HB2 GLU A 49 4.454 -5.696 0.565 1.00 43.24 H new ATOM 0 HB3 GLU A 49 2.982 -6.647 0.574 1.00 43.24 H new ATOM 0 HG2 GLU A 49 2.557 -6.107 -1.775 1.00 22.33 H new ATOM 0 HG3 GLU A 49 3.923 -5.010 -1.809 1.00 22.33 H new ATOM 808 N VAL A 50 1.038 -3.894 -1.136 1.00 45.10 N ATOM 809 CA VAL A 50 -0.260 -3.881 -1.820 1.00 54.22 C ATOM 810 C VAL A 50 -0.118 -4.176 -3.323 1.00 2.21 C ATOM 811 O VAL A 50 0.632 -3.505 -4.035 1.00 3.05 O ATOM 812 CB VAL A 50 -0.994 -2.526 -1.629 1.00 1.12 C ATOM 813 CG1 VAL A 50 -0.140 -1.353 -2.111 1.00 65.51 C ATOM 814 CG2 VAL A 50 -2.350 -2.544 -2.338 1.00 13.11 C ATOM 0 H VAL A 50 1.763 -3.351 -1.605 1.00 45.10 H new ATOM 0 HA VAL A 50 -0.854 -4.673 -1.363 1.00 54.22 H new ATOM 0 HB VAL A 50 -1.166 -2.387 -0.562 1.00 1.12 H new ATOM 0 HG11 VAL A 50 -0.685 -0.421 -1.962 1.00 65.51 H new ATOM 0 HG12 VAL A 50 0.791 -1.324 -1.544 1.00 65.51 H new ATOM 0 HG13 VAL A 50 0.084 -1.477 -3.170 1.00 65.51 H new ATOM 0 HG21 VAL A 50 -2.849 -1.586 -2.193 1.00 13.11 H new ATOM 0 HG22 VAL A 50 -2.201 -2.718 -3.404 1.00 13.11 H new ATOM 0 HG23 VAL A 50 -2.967 -3.341 -1.923 1.00 13.11 H new ATOM 824 N GLU A 51 -0.830 -5.197 -3.800 1.00 60.20 N ATOM 825 CA GLU A 51 -0.855 -5.514 -5.231 1.00 13.22 C ATOM 826 C GLU A 51 -1.940 -4.708 -5.965 1.00 44.43 C ATOM 827 O GLU A 51 -3.135 -4.903 -5.738 1.00 10.42 O ATOM 828 CB GLU A 51 -1.094 -7.016 -5.458 1.00 51.35 C ATOM 829 CG GLU A 51 -1.192 -7.390 -6.935 1.00 71.10 C ATOM 830 CD GLU A 51 -1.524 -8.855 -7.162 1.00 64.24 C ATOM 831 OE1 GLU A 51 -2.639 -9.278 -6.797 1.00 61.23 O ATOM 832 OE2 GLU A 51 -0.677 -9.588 -7.713 1.00 22.13 O ATOM 0 H GLU A 51 -1.395 -5.817 -3.221 1.00 60.20 H new ATOM 0 HA GLU A 51 0.119 -5.241 -5.637 1.00 13.22 H new ATOM 0 HB2 GLU A 51 -0.282 -7.580 -4.999 1.00 51.35 H new ATOM 0 HB3 GLU A 51 -2.013 -7.312 -4.953 1.00 51.35 H new ATOM 0 HG2 GLU A 51 -1.956 -6.774 -7.409 1.00 71.10 H new ATOM 0 HG3 GLU A 51 -0.246 -7.159 -7.425 1.00 71.10 H new ATOM 839 N VAL A 52 -1.511 -3.798 -6.836 1.00 5.42 N ATOM 840 CA VAL A 52 -2.423 -3.006 -7.665 1.00 14.33 C ATOM 841 C VAL A 52 -2.153 -3.266 -9.157 1.00 42.14 C ATOM 842 O VAL A 52 -1.037 -3.053 -9.635 1.00 62.13 O ATOM 843 CB VAL A 52 -2.262 -1.492 -7.376 1.00 54.33 C ATOM 844 CG1 VAL A 52 -3.296 -0.672 -8.143 1.00 34.14 C ATOM 845 CG2 VAL A 52 -2.355 -1.214 -5.877 1.00 5.23 C ATOM 0 H VAL A 52 -0.525 -3.587 -6.989 1.00 5.42 H new ATOM 0 HA VAL A 52 -3.441 -3.308 -7.419 1.00 14.33 H new ATOM 0 HB VAL A 52 -1.273 -1.189 -7.719 1.00 54.33 H new ATOM 0 HG11 VAL A 52 -3.159 0.386 -7.921 1.00 34.14 H new ATOM 0 HG12 VAL A 52 -3.170 -0.837 -9.213 1.00 34.14 H new ATOM 0 HG13 VAL A 52 -4.298 -0.979 -7.844 1.00 34.14 H new ATOM 0 HG21 VAL A 52 -2.239 -0.145 -5.697 1.00 5.23 H new ATOM 0 HG22 VAL A 52 -3.326 -1.541 -5.506 1.00 5.23 H new ATOM 0 HG23 VAL A 52 -1.566 -1.757 -5.357 1.00 5.23 H new ATOM 855 N ASP A 53 -3.168 -3.750 -9.881 1.00 5.53 N ATOM 856 CA ASP A 53 -3.021 -4.089 -11.310 1.00 34.43 C ATOM 857 C ASP A 53 -1.946 -5.177 -11.521 1.00 54.43 C ATOM 858 O ASP A 53 -1.387 -5.320 -12.613 1.00 22.22 O ATOM 859 CB ASP A 53 -2.680 -2.828 -12.129 1.00 13.30 C ATOM 860 CG ASP A 53 -3.822 -1.823 -12.168 1.00 43.42 C ATOM 861 OD1 ASP A 53 -4.415 -1.545 -11.110 1.00 42.35 O ATOM 862 OD2 ASP A 53 -4.136 -1.300 -13.261 1.00 25.02 O ATOM 0 H ASP A 53 -4.102 -3.917 -9.506 1.00 5.53 H new ATOM 0 HA ASP A 53 -3.973 -4.488 -11.660 1.00 34.43 H new ATOM 0 HB2 ASP A 53 -1.797 -2.351 -11.703 1.00 13.30 H new ATOM 0 HB3 ASP A 53 -2.424 -3.120 -13.148 1.00 13.30 H new ATOM 867 N GLY A 54 -1.676 -5.955 -10.469 1.00 32.34 N ATOM 868 CA GLY A 54 -0.651 -6.993 -10.532 1.00 24.23 C ATOM 869 C GLY A 54 0.708 -6.527 -10.013 1.00 5.15 C ATOM 870 O GLY A 54 1.592 -7.340 -9.749 1.00 2.10 O ATOM 0 H GLY A 54 -2.152 -5.884 -9.569 1.00 32.34 H new ATOM 0 HA2 GLY A 54 -0.979 -7.855 -9.951 1.00 24.23 H new ATOM 0 HA3 GLY A 54 -0.544 -7.327 -11.564 1.00 24.23 H new ATOM 874 N GLN A 55 0.864 -5.213 -9.857 1.00 53.23 N ATOM 875 CA GLN A 55 2.128 -4.613 -9.406 1.00 44.22 C ATOM 876 C GLN A 55 2.142 -4.435 -7.879 1.00 43.13 C ATOM 877 O GLN A 55 1.222 -3.854 -7.311 1.00 75.34 O ATOM 878 CB GLN A 55 2.312 -3.255 -10.093 1.00 50.02 C ATOM 879 CG GLN A 55 2.223 -3.327 -11.614 1.00 25.11 C ATOM 880 CD GLN A 55 2.098 -1.962 -12.263 1.00 71.11 C ATOM 881 OE1 GLN A 55 0.876 -1.500 -12.437 1.00 54.15 O flip ATOM 882 NE2 GLN A 55 3.088 -1.324 -12.598 1.00 14.15 N flip ATOM 0 H GLN A 55 0.125 -4.534 -10.037 1.00 53.23 H new ATOM 0 HA GLN A 55 2.948 -5.279 -9.673 1.00 44.22 H new ATOM 0 HB2 GLN A 55 1.553 -2.564 -9.725 1.00 50.02 H new ATOM 0 HB3 GLN A 55 3.281 -2.843 -9.813 1.00 50.02 H new ATOM 0 HG2 GLN A 55 3.110 -3.828 -12.002 1.00 25.11 H new ATOM 0 HG3 GLN A 55 1.364 -3.937 -11.894 1.00 25.11 H new ATOM 0 HE21 GLN A 55 4.019 -1.712 -12.448 1.00 14.15 H new ATOM 0 HE22 GLN A 55 2.981 -0.405 -13.027 1.00 14.15 H new ATOM 891 N LYS A 56 3.190 -4.926 -7.220 1.00 71.55 N ATOM 892 CA LYS A 56 3.277 -4.868 -5.754 1.00 12.10 C ATOM 893 C LYS A 56 4.048 -3.626 -5.276 1.00 14.40 C ATOM 894 O LYS A 56 5.218 -3.435 -5.615 1.00 34.13 O ATOM 895 CB LYS A 56 3.950 -6.135 -5.199 1.00 0.21 C ATOM 896 CG LYS A 56 3.155 -7.428 -5.413 1.00 42.01 C ATOM 897 CD LYS A 56 3.146 -7.874 -6.873 1.00 45.41 C ATOM 898 CE LYS A 56 2.412 -9.197 -7.055 1.00 4.12 C ATOM 899 NZ LYS A 56 2.376 -9.622 -8.482 1.00 72.23 N ATOM 0 H LYS A 56 3.990 -5.368 -7.672 1.00 71.55 H new ATOM 0 HA LYS A 56 2.257 -4.804 -5.376 1.00 12.10 H new ATOM 0 HB2 LYS A 56 4.929 -6.245 -5.666 1.00 0.21 H new ATOM 0 HB3 LYS A 56 4.120 -6.002 -4.131 1.00 0.21 H new ATOM 0 HG2 LYS A 56 3.582 -8.220 -4.797 1.00 42.01 H new ATOM 0 HG3 LYS A 56 2.129 -7.280 -5.075 1.00 42.01 H new ATOM 0 HD2 LYS A 56 2.671 -7.107 -7.485 1.00 45.41 H new ATOM 0 HD3 LYS A 56 4.171 -7.975 -7.229 1.00 45.41 H new ATOM 0 HE2 LYS A 56 2.901 -9.968 -6.459 1.00 4.12 H new ATOM 0 HE3 LYS A 56 1.393 -9.101 -6.679 1.00 4.12 H new ATOM 0 HZ1 LYS A 56 1.913 -10.550 -8.556 1.00 72.23 H new ATOM 0 HZ2 LYS A 56 1.843 -8.924 -9.039 1.00 72.23 H new ATOM 0 HZ3 LYS A 56 3.347 -9.689 -8.849 1.00 72.23 H new ATOM 913 N PHE A 57 3.384 -2.798 -4.469 1.00 31.14 N ATOM 914 CA PHE A 57 3.997 -1.598 -3.883 1.00 33.41 C ATOM 915 C PHE A 57 4.110 -1.739 -2.354 1.00 12.10 C ATOM 916 O PHE A 57 3.173 -2.199 -1.700 1.00 72.14 O ATOM 917 CB PHE A 57 3.160 -0.356 -4.229 1.00 55.15 C ATOM 918 CG PHE A 57 2.975 -0.132 -5.713 1.00 24.14 C ATOM 919 CD1 PHE A 57 3.882 0.635 -6.433 1.00 74.33 C ATOM 920 CD2 PHE A 57 1.893 -0.689 -6.386 1.00 14.41 C ATOM 921 CE1 PHE A 57 3.714 0.842 -7.790 1.00 30.44 C ATOM 922 CE2 PHE A 57 1.722 -0.484 -7.743 1.00 72.32 C ATOM 923 CZ PHE A 57 2.633 0.282 -8.444 1.00 50.21 C ATOM 0 H PHE A 57 2.409 -2.936 -4.202 1.00 31.14 H new ATOM 0 HA PHE A 57 4.998 -1.485 -4.299 1.00 33.41 H new ATOM 0 HB2 PHE A 57 2.180 -0.449 -3.761 1.00 55.15 H new ATOM 0 HB3 PHE A 57 3.637 0.523 -3.796 1.00 55.15 H new ATOM 0 HD1 PHE A 57 4.729 1.075 -5.927 1.00 74.33 H new ATOM 0 HD2 PHE A 57 1.178 -1.289 -5.843 1.00 14.41 H new ATOM 0 HE1 PHE A 57 4.427 1.441 -8.338 1.00 30.44 H new ATOM 0 HE2 PHE A 57 0.877 -0.922 -8.254 1.00 72.32 H new ATOM 0 HZ PHE A 57 2.500 0.443 -9.504 1.00 50.21 H new ATOM 933 N GLN A 58 5.250 -1.342 -1.786 1.00 24.44 N ATOM 934 CA GLN A 58 5.482 -1.494 -0.339 1.00 13.42 C ATOM 935 C GLN A 58 5.593 -0.145 0.390 1.00 21.15 C ATOM 936 O GLN A 58 5.907 0.886 -0.210 1.00 73.32 O ATOM 937 CB GLN A 58 6.747 -2.327 -0.075 1.00 43.23 C ATOM 938 CG GLN A 58 6.567 -3.819 -0.340 1.00 43.34 C ATOM 939 CD GLN A 58 7.793 -4.639 0.029 1.00 4.00 C ATOM 940 OE1 GLN A 58 8.566 -4.267 0.909 1.00 40.32 O ATOM 941 NE2 GLN A 58 7.963 -5.777 -0.611 1.00 41.25 N ATOM 0 H GLN A 58 6.024 -0.916 -2.296 1.00 24.44 H new ATOM 0 HA GLN A 58 4.610 -2.013 0.059 1.00 13.42 H new ATOM 0 HB2 GLN A 58 7.556 -1.951 -0.701 1.00 43.23 H new ATOM 0 HB3 GLN A 58 7.054 -2.186 0.961 1.00 43.23 H new ATOM 0 HG2 GLN A 58 5.710 -4.182 0.226 1.00 43.34 H new ATOM 0 HG3 GLN A 58 6.339 -3.970 -1.395 1.00 43.34 H new ATOM 0 HE21 GLN A 58 7.303 -6.057 -1.337 1.00 41.25 H new ATOM 0 HE22 GLN A 58 8.754 -6.378 -0.381 1.00 41.25 H new ATOM 950 N GLY A 59 5.332 -0.173 1.696 1.00 10.53 N ATOM 951 CA GLY A 59 5.452 1.018 2.532 1.00 41.13 C ATOM 952 C GLY A 59 5.864 0.682 3.963 1.00 22.23 C ATOM 953 O GLY A 59 5.377 -0.292 4.540 1.00 72.23 O ATOM 0 H GLY A 59 5.035 -1.010 2.198 1.00 10.53 H new ATOM 0 HA2 GLY A 59 6.186 1.694 2.094 1.00 41.13 H new ATOM 0 HA3 GLY A 59 4.499 1.547 2.545 1.00 41.13 H new ATOM 957 N ALA A 60 6.757 1.486 4.540 1.00 55.32 N ATOM 958 CA ALA A 60 7.278 1.227 5.891 1.00 23.44 C ATOM 959 C ALA A 60 6.920 2.354 6.877 1.00 23.03 C ATOM 960 O ALA A 60 7.260 3.519 6.657 1.00 43.11 O ATOM 961 CB ALA A 60 8.792 1.034 5.837 1.00 63.03 C ATOM 0 H ALA A 60 7.137 2.322 4.097 1.00 55.32 H new ATOM 0 HA ALA A 60 6.806 0.315 6.257 1.00 23.44 H new ATOM 0 HB1 ALA A 60 9.170 0.843 6.841 1.00 63.03 H new ATOM 0 HB2 ALA A 60 9.028 0.187 5.193 1.00 63.03 H new ATOM 0 HB3 ALA A 60 9.260 1.934 5.438 1.00 63.03 H new ATOM 967 N GLY A 61 6.249 1.990 7.971 1.00 10.51 N ATOM 968 CA GLY A 61 5.871 2.961 8.997 1.00 21.11 C ATOM 969 C GLY A 61 5.952 2.386 10.410 1.00 31.23 C ATOM 970 O GLY A 61 6.165 1.188 10.586 1.00 43.33 O ATOM 0 H GLY A 61 5.957 1.033 8.168 1.00 10.51 H new ATOM 0 HA2 GLY A 61 6.523 3.832 8.925 1.00 21.11 H new ATOM 0 HA3 GLY A 61 4.855 3.307 8.807 1.00 21.11 H new ATOM 974 N SER A 62 5.765 3.236 11.422 1.00 43.24 N ATOM 975 CA SER A 62 5.840 2.803 12.830 1.00 0.10 C ATOM 976 C SER A 62 4.685 1.863 13.231 1.00 12.54 C ATOM 977 O SER A 62 4.695 1.286 14.321 1.00 74.13 O ATOM 978 CB SER A 62 5.865 4.020 13.767 1.00 44.05 C ATOM 979 OG SER A 62 7.042 4.793 13.578 1.00 35.43 O ATOM 0 H SER A 62 5.561 4.228 11.299 1.00 43.24 H new ATOM 0 HA SER A 62 6.767 2.239 12.930 1.00 0.10 H new ATOM 0 HB2 SER A 62 4.987 4.640 13.585 1.00 44.05 H new ATOM 0 HB3 SER A 62 5.810 3.685 14.803 1.00 44.05 H new ATOM 0 HG SER A 62 7.030 5.561 14.186 1.00 35.43 H new ATOM 985 N ASN A 63 3.684 1.727 12.360 1.00 62.42 N ATOM 986 CA ASN A 63 2.571 0.792 12.585 1.00 64.35 C ATOM 987 C ASN A 63 1.827 0.497 11.273 1.00 63.40 C ATOM 988 O ASN A 63 1.849 1.307 10.347 1.00 14.43 O ATOM 989 CB ASN A 63 1.616 1.333 13.662 1.00 74.12 C ATOM 990 CG ASN A 63 1.063 2.715 13.345 1.00 31.21 C ATOM 991 OD1 ASN A 63 -0.131 2.771 12.786 1.00 44.12 O flip ATOM 992 ND2 ASN A 63 1.692 3.727 13.635 1.00 74.12 N flip ATOM 0 H ASN A 63 3.618 2.253 11.488 1.00 62.42 H new ATOM 0 HA ASN A 63 2.983 -0.150 12.948 1.00 64.35 H new ATOM 0 HB2 ASN A 63 0.786 0.637 13.783 1.00 74.12 H new ATOM 0 HB3 ASN A 63 2.141 1.371 14.616 1.00 74.12 H new ATOM 0 HD21 ASN A 63 2.613 3.649 14.066 1.00 74.12 H new ATOM 0 HD22 ASN A 63 1.294 4.647 13.445 1.00 74.12 H new ATOM 999 N LYS A 64 1.173 -0.668 11.203 1.00 73.13 N ATOM 1000 CA LYS A 64 0.546 -1.157 9.960 1.00 52.31 C ATOM 1001 C LYS A 64 -0.356 -0.115 9.277 1.00 53.11 C ATOM 1002 O LYS A 64 -0.364 -0.019 8.054 1.00 11.34 O ATOM 1003 CB LYS A 64 -0.248 -2.444 10.230 1.00 33.44 C ATOM 1004 CG LYS A 64 0.633 -3.646 10.561 1.00 74.04 C ATOM 1005 CD LYS A 64 -0.187 -4.910 10.807 1.00 33.44 C ATOM 1006 CE LYS A 64 0.709 -6.107 11.117 1.00 4.24 C ATOM 1007 NZ LYS A 64 -0.076 -7.336 11.410 1.00 54.13 N ATOM 0 H LYS A 64 1.061 -1.298 11.998 1.00 73.13 H new ATOM 0 HA LYS A 64 1.363 -1.363 9.269 1.00 52.31 H new ATOM 0 HB2 LYS A 64 -0.937 -2.270 11.057 1.00 33.44 H new ATOM 0 HB3 LYS A 64 -0.854 -2.678 9.355 1.00 33.44 H new ATOM 0 HG2 LYS A 64 1.330 -3.821 9.741 1.00 74.04 H new ATOM 0 HG3 LYS A 64 1.230 -3.424 11.445 1.00 74.04 H new ATOM 0 HD2 LYS A 64 -0.874 -4.744 11.637 1.00 33.44 H new ATOM 0 HD3 LYS A 64 -0.795 -5.127 9.929 1.00 33.44 H new ATOM 0 HE2 LYS A 64 1.369 -6.293 10.270 1.00 4.24 H new ATOM 0 HE3 LYS A 64 1.344 -5.872 11.971 1.00 4.24 H new ATOM 0 HZ1 LYS A 64 0.571 -8.109 11.664 1.00 54.13 H new ATOM 0 HZ2 LYS A 64 -0.725 -7.153 12.202 1.00 54.13 H new ATOM 0 HZ3 LYS A 64 -0.625 -7.606 10.569 1.00 54.13 H new ATOM 1021 N LYS A 65 -1.119 0.651 10.056 1.00 1.53 N ATOM 1022 CA LYS A 65 -1.948 1.734 9.494 1.00 50.02 C ATOM 1023 C LYS A 65 -1.096 2.705 8.654 1.00 42.23 C ATOM 1024 O LYS A 65 -1.392 2.974 7.489 1.00 14.41 O ATOM 1025 CB LYS A 65 -2.649 2.506 10.623 1.00 61.13 C ATOM 1026 CG LYS A 65 -3.558 1.641 11.494 1.00 2.14 C ATOM 1027 CD LYS A 65 -4.813 1.185 10.755 1.00 71.20 C ATOM 1028 CE LYS A 65 -5.750 2.350 10.451 1.00 4.43 C ATOM 1029 NZ LYS A 65 -7.051 1.888 9.899 1.00 35.03 N ATOM 0 H LYS A 65 -1.185 0.549 11.069 1.00 1.53 H new ATOM 0 HA LYS A 65 -2.697 1.281 8.845 1.00 50.02 H new ATOM 0 HB2 LYS A 65 -1.893 2.972 11.255 1.00 61.13 H new ATOM 0 HB3 LYS A 65 -3.240 3.311 10.187 1.00 61.13 H new ATOM 0 HG2 LYS A 65 -3.004 0.767 11.836 1.00 2.14 H new ATOM 0 HG3 LYS A 65 -3.847 2.203 12.382 1.00 2.14 H new ATOM 0 HD2 LYS A 65 -4.528 0.696 9.824 1.00 71.20 H new ATOM 0 HD3 LYS A 65 -5.339 0.444 11.356 1.00 71.20 H new ATOM 0 HE2 LYS A 65 -5.925 2.922 11.362 1.00 4.43 H new ATOM 0 HE3 LYS A 65 -5.273 3.023 9.739 1.00 4.43 H new ATOM 0 HZ1 LYS A 65 -7.658 2.710 9.706 1.00 35.03 H new ATOM 0 HZ2 LYS A 65 -6.887 1.364 9.016 1.00 35.03 H new ATOM 0 HZ3 LYS A 65 -7.519 1.266 10.588 1.00 35.03 H new ATOM 1043 N VAL A 66 -0.021 3.204 9.258 1.00 52.12 N ATOM 1044 CA VAL A 66 0.895 4.137 8.591 1.00 73.23 C ATOM 1045 C VAL A 66 1.660 3.456 7.438 1.00 65.14 C ATOM 1046 O VAL A 66 1.900 4.057 6.389 1.00 64.43 O ATOM 1047 CB VAL A 66 1.905 4.724 9.609 1.00 23.34 C ATOM 1048 CG1 VAL A 66 2.867 5.701 8.936 1.00 1.30 C ATOM 1049 CG2 VAL A 66 1.168 5.400 10.765 1.00 63.22 C ATOM 0 H VAL A 66 0.242 2.978 10.217 1.00 52.12 H new ATOM 0 HA VAL A 66 0.291 4.942 8.172 1.00 73.23 H new ATOM 0 HB VAL A 66 2.496 3.900 10.009 1.00 23.34 H new ATOM 0 HG11 VAL A 66 3.563 6.095 9.677 1.00 1.30 H new ATOM 0 HG12 VAL A 66 3.424 5.183 8.155 1.00 1.30 H new ATOM 0 HG13 VAL A 66 2.302 6.523 8.495 1.00 1.30 H new ATOM 0 HG21 VAL A 66 1.893 5.807 11.470 1.00 63.22 H new ATOM 0 HG22 VAL A 66 0.546 6.207 10.378 1.00 63.22 H new ATOM 0 HG23 VAL A 66 0.539 4.669 11.272 1.00 63.22 H new ATOM 1059 N ALA A 67 2.036 2.196 7.642 1.00 40.31 N ATOM 1060 CA ALA A 67 2.745 1.423 6.618 1.00 5.13 C ATOM 1061 C ALA A 67 1.873 1.209 5.368 1.00 33.11 C ATOM 1062 O ALA A 67 2.326 1.411 4.238 1.00 2.30 O ATOM 1063 CB ALA A 67 3.193 0.086 7.191 1.00 5.11 C ATOM 0 H ALA A 67 1.863 1.685 8.508 1.00 40.31 H new ATOM 0 HA ALA A 67 3.623 1.992 6.313 1.00 5.13 H new ATOM 0 HB1 ALA A 67 3.719 -0.481 6.423 1.00 5.11 H new ATOM 0 HB2 ALA A 67 3.860 0.257 8.036 1.00 5.11 H new ATOM 0 HB3 ALA A 67 2.322 -0.477 7.525 1.00 5.11 H new ATOM 1069 N LYS A 68 0.618 0.802 5.579 1.00 53.33 N ATOM 1070 CA LYS A 68 -0.348 0.648 4.484 1.00 21.44 C ATOM 1071 C LYS A 68 -0.582 1.985 3.773 1.00 35.43 C ATOM 1072 O LYS A 68 -0.815 2.024 2.567 1.00 30.30 O ATOM 1073 CB LYS A 68 -1.685 0.093 5.005 1.00 50.25 C ATOM 1074 CG LYS A 68 -1.624 -1.366 5.450 1.00 40.35 C ATOM 1075 CD LYS A 68 -2.962 -1.857 6.002 1.00 42.35 C ATOM 1076 CE LYS A 68 -4.081 -1.770 4.966 1.00 41.32 C ATOM 1077 NZ LYS A 68 -5.374 -2.273 5.501 1.00 62.51 N ATOM 0 H LYS A 68 0.245 0.572 6.500 1.00 53.33 H new ATOM 0 HA LYS A 68 0.071 -0.062 3.770 1.00 21.44 H new ATOM 0 HB2 LYS A 68 -2.017 0.704 5.844 1.00 50.25 H new ATOM 0 HB3 LYS A 68 -2.437 0.192 4.222 1.00 50.25 H new ATOM 0 HG2 LYS A 68 -1.330 -1.990 4.606 1.00 40.35 H new ATOM 0 HG3 LYS A 68 -0.854 -1.480 6.213 1.00 40.35 H new ATOM 0 HD2 LYS A 68 -2.858 -2.889 6.336 1.00 42.35 H new ATOM 0 HD3 LYS A 68 -3.232 -1.264 6.876 1.00 42.35 H new ATOM 0 HE2 LYS A 68 -4.199 -0.735 4.646 1.00 41.32 H new ATOM 0 HE3 LYS A 68 -3.804 -2.347 4.084 1.00 41.32 H new ATOM 0 HZ1 LYS A 68 -6.107 -2.197 4.767 1.00 62.51 H new ATOM 0 HZ2 LYS A 68 -5.269 -3.268 5.783 1.00 62.51 H new ATOM 0 HZ3 LYS A 68 -5.652 -1.706 6.328 1.00 62.51 H new ATOM 1091 N ALA A 69 -0.525 3.078 4.534 1.00 71.42 N ATOM 1092 CA ALA A 69 -0.641 4.422 3.965 1.00 0.55 C ATOM 1093 C ALA A 69 0.471 4.698 2.937 1.00 71.14 C ATOM 1094 O ALA A 69 0.200 5.156 1.827 1.00 44.21 O ATOM 1095 CB ALA A 69 -0.619 5.470 5.073 1.00 64.41 C ATOM 0 H ALA A 69 -0.399 3.060 5.546 1.00 71.42 H new ATOM 0 HA ALA A 69 -1.595 4.482 3.442 1.00 0.55 H new ATOM 0 HB1 ALA A 69 -0.706 6.464 4.635 1.00 64.41 H new ATOM 0 HB2 ALA A 69 -1.454 5.298 5.753 1.00 64.41 H new ATOM 0 HB3 ALA A 69 0.319 5.397 5.624 1.00 64.41 H new ATOM 1101 N TYR A 70 1.722 4.413 3.313 1.00 45.14 N ATOM 1102 CA TYR A 70 2.863 4.581 2.399 1.00 22.13 C ATOM 1103 C TYR A 70 2.780 3.622 1.200 1.00 25.13 C ATOM 1104 O TYR A 70 3.121 3.993 0.073 1.00 42.31 O ATOM 1105 CB TYR A 70 4.197 4.374 3.136 1.00 51.40 C ATOM 1106 CG TYR A 70 4.569 5.514 4.067 1.00 52.14 C ATOM 1107 CD1 TYR A 70 4.785 6.796 3.569 1.00 34.53 C ATOM 1108 CD2 TYR A 70 4.712 5.310 5.434 1.00 32.20 C ATOM 1109 CE1 TYR A 70 5.129 7.839 4.407 1.00 25.34 C ATOM 1110 CE2 TYR A 70 5.059 6.348 6.277 1.00 70.01 C ATOM 1111 CZ TYR A 70 5.267 7.610 5.758 1.00 74.51 C ATOM 1112 OH TYR A 70 5.614 8.645 6.599 1.00 73.42 O ATOM 0 H TYR A 70 1.972 4.066 4.239 1.00 45.14 H new ATOM 0 HA TYR A 70 2.818 5.603 2.023 1.00 22.13 H new ATOM 0 HB2 TYR A 70 4.143 3.450 3.712 1.00 51.40 H new ATOM 0 HB3 TYR A 70 4.991 4.245 2.400 1.00 51.40 H new ATOM 0 HD1 TYR A 70 4.682 6.978 2.509 1.00 34.53 H new ATOM 0 HD2 TYR A 70 4.549 4.324 5.844 1.00 32.20 H new ATOM 0 HE1 TYR A 70 5.289 8.829 4.005 1.00 25.34 H new ATOM 0 HE2 TYR A 70 5.167 6.173 7.337 1.00 70.01 H new ATOM 0 HH TYR A 70 5.668 8.314 7.520 1.00 73.42 H new ATOM 1122 N ALA A 71 2.337 2.392 1.452 1.00 54.23 N ATOM 1123 CA ALA A 71 2.149 1.401 0.385 1.00 42.33 C ATOM 1124 C ALA A 71 1.109 1.879 -0.640 1.00 53.14 C ATOM 1125 O ALA A 71 1.359 1.872 -1.846 1.00 24.21 O ATOM 1126 CB ALA A 71 1.733 0.059 0.980 1.00 22.44 C ATOM 0 H ALA A 71 2.100 2.054 2.385 1.00 54.23 H new ATOM 0 HA ALA A 71 3.099 1.278 -0.135 1.00 42.33 H new ATOM 0 HB1 ALA A 71 1.597 -0.668 0.179 1.00 22.44 H new ATOM 0 HB2 ALA A 71 2.508 -0.293 1.661 1.00 22.44 H new ATOM 0 HB3 ALA A 71 0.797 0.177 1.526 1.00 22.44 H new ATOM 1132 N ALA A 72 -0.052 2.303 -0.143 1.00 21.31 N ATOM 1133 CA ALA A 72 -1.111 2.842 -0.998 1.00 50.13 C ATOM 1134 C ALA A 72 -0.637 4.092 -1.754 1.00 41.20 C ATOM 1135 O ALA A 72 -0.907 4.248 -2.947 1.00 30.11 O ATOM 1136 CB ALA A 72 -2.342 3.158 -0.162 1.00 55.15 C ATOM 0 H ALA A 72 -0.284 2.284 0.850 1.00 21.31 H new ATOM 0 HA ALA A 72 -1.369 2.086 -1.740 1.00 50.13 H new ATOM 0 HB1 ALA A 72 -3.126 3.559 -0.805 1.00 55.15 H new ATOM 0 HB2 ALA A 72 -2.698 2.247 0.320 1.00 55.15 H new ATOM 0 HB3 ALA A 72 -2.086 3.895 0.599 1.00 55.15 H new ATOM 1142 N LEU A 73 0.073 4.978 -1.051 1.00 13.22 N ATOM 1143 CA LEU A 73 0.664 6.166 -1.674 1.00 64.31 C ATOM 1144 C LEU A 73 1.556 5.785 -2.864 1.00 42.22 C ATOM 1145 O LEU A 73 1.421 6.350 -3.941 1.00 71.31 O ATOM 1146 CB LEU A 73 1.472 6.983 -0.649 1.00 70.14 C ATOM 1147 CG LEU A 73 0.650 7.937 0.236 1.00 14.13 C ATOM 1148 CD1 LEU A 73 1.532 8.577 1.308 1.00 41.34 C ATOM 1149 CD2 LEU A 73 -0.019 9.009 -0.622 1.00 5.22 C ATOM 0 H LEU A 73 0.253 4.896 -0.050 1.00 13.22 H new ATOM 0 HA LEU A 73 -0.156 6.782 -2.042 1.00 64.31 H new ATOM 0 HB2 LEU A 73 2.011 6.290 -0.003 1.00 70.14 H new ATOM 0 HB3 LEU A 73 2.220 7.567 -1.185 1.00 70.14 H new ATOM 0 HG LEU A 73 -0.126 7.360 0.738 1.00 14.13 H new ATOM 0 HD11 LEU A 73 0.930 9.247 1.922 1.00 41.34 H new ATOM 0 HD12 LEU A 73 1.963 7.798 1.937 1.00 41.34 H new ATOM 0 HD13 LEU A 73 2.332 9.142 0.831 1.00 41.34 H new ATOM 0 HD21 LEU A 73 -0.597 9.677 0.016 1.00 5.22 H new ATOM 0 HD22 LEU A 73 0.744 9.581 -1.150 1.00 5.22 H new ATOM 0 HD23 LEU A 73 -0.682 8.535 -1.346 1.00 5.22 H new ATOM 1161 N ALA A 74 2.444 4.807 -2.670 1.00 74.32 N ATOM 1162 CA ALA A 74 3.346 4.350 -3.740 1.00 65.33 C ATOM 1163 C ALA A 74 2.577 4.028 -5.033 1.00 23.41 C ATOM 1164 O ALA A 74 2.980 4.427 -6.130 1.00 32.00 O ATOM 1165 CB ALA A 74 4.138 3.132 -3.275 1.00 52.13 C ATOM 0 H ALA A 74 2.561 4.314 -1.785 1.00 74.32 H new ATOM 0 HA ALA A 74 4.037 5.163 -3.963 1.00 65.33 H new ATOM 0 HB1 ALA A 74 4.802 2.803 -4.074 1.00 52.13 H new ATOM 0 HB2 ALA A 74 4.729 3.396 -2.398 1.00 52.13 H new ATOM 0 HB3 ALA A 74 3.450 2.326 -3.020 1.00 52.13 H new ATOM 1171 N ALA A 75 1.459 3.318 -4.897 1.00 75.20 N ATOM 1172 CA ALA A 75 0.599 3.006 -6.044 1.00 55.11 C ATOM 1173 C ALA A 75 -0.069 4.272 -6.610 1.00 44.31 C ATOM 1174 O ALA A 75 -0.126 4.466 -7.826 1.00 34.31 O ATOM 1175 CB ALA A 75 -0.455 1.977 -5.648 1.00 11.41 C ATOM 0 H ALA A 75 1.125 2.947 -4.007 1.00 75.20 H new ATOM 0 HA ALA A 75 1.227 2.586 -6.829 1.00 55.11 H new ATOM 0 HB1 ALA A 75 -1.087 1.754 -6.508 1.00 11.41 H new ATOM 0 HB2 ALA A 75 0.036 1.064 -5.312 1.00 11.41 H new ATOM 0 HB3 ALA A 75 -1.069 2.377 -4.841 1.00 11.41 H new ATOM 1181 N LEU A 76 -0.568 5.131 -5.722 1.00 63.34 N ATOM 1182 CA LEU A 76 -1.200 6.394 -6.126 1.00 53.24 C ATOM 1183 C LEU A 76 -0.187 7.372 -6.751 1.00 34.34 C ATOM 1184 O LEU A 76 -0.564 8.264 -7.505 1.00 71.05 O ATOM 1185 CB LEU A 76 -1.891 7.049 -4.920 1.00 70.23 C ATOM 1186 CG LEU A 76 -3.103 6.287 -4.358 1.00 45.35 C ATOM 1187 CD1 LEU A 76 -3.641 6.978 -3.108 1.00 74.44 C ATOM 1188 CD2 LEU A 76 -4.201 6.158 -5.415 1.00 71.41 C ATOM 0 H LEU A 76 -0.548 4.978 -4.714 1.00 63.34 H new ATOM 0 HA LEU A 76 -1.943 6.159 -6.888 1.00 53.24 H new ATOM 0 HB2 LEU A 76 -1.157 7.168 -4.123 1.00 70.23 H new ATOM 0 HB3 LEU A 76 -2.214 8.049 -5.208 1.00 70.23 H new ATOM 0 HG LEU A 76 -2.775 5.285 -4.082 1.00 45.35 H new ATOM 0 HD11 LEU A 76 -4.498 6.423 -2.726 1.00 74.44 H new ATOM 0 HD12 LEU A 76 -2.862 7.011 -2.347 1.00 74.44 H new ATOM 0 HD13 LEU A 76 -3.948 7.994 -3.357 1.00 74.44 H new ATOM 0 HD21 LEU A 76 -5.048 5.616 -4.995 1.00 71.41 H new ATOM 0 HD22 LEU A 76 -4.524 7.151 -5.727 1.00 71.41 H new ATOM 0 HD23 LEU A 76 -3.814 5.615 -6.277 1.00 71.41 H new ATOM 1200 N GLU A 77 1.094 7.205 -6.433 1.00 30.24 N ATOM 1201 CA GLU A 77 2.152 8.057 -6.994 1.00 72.44 C ATOM 1202 C GLU A 77 2.592 7.557 -8.379 1.00 50.20 C ATOM 1203 O GLU A 77 2.786 8.344 -9.306 1.00 21.01 O ATOM 1204 CB GLU A 77 3.366 8.092 -6.048 1.00 3.32 C ATOM 1205 CG GLU A 77 3.080 8.699 -4.675 1.00 43.31 C ATOM 1206 CD GLU A 77 2.824 10.196 -4.721 1.00 44.21 C ATOM 1207 OE1 GLU A 77 1.682 10.611 -5.007 1.00 63.20 O ATOM 1208 OE2 GLU A 77 3.771 10.973 -4.463 1.00 61.14 O ATOM 0 H GLU A 77 1.430 6.488 -5.790 1.00 30.24 H new ATOM 0 HA GLU A 77 1.747 9.063 -7.102 1.00 72.44 H new ATOM 0 HB2 GLU A 77 3.735 7.075 -5.912 1.00 3.32 H new ATOM 0 HB3 GLU A 77 4.165 8.660 -6.524 1.00 3.32 H new ATOM 0 HG2 GLU A 77 2.213 8.202 -4.239 1.00 43.31 H new ATOM 0 HG3 GLU A 77 3.925 8.502 -4.015 1.00 43.31 H new ATOM 1215 N LYS A 78 2.746 6.241 -8.509 1.00 70.30 N ATOM 1216 CA LYS A 78 3.230 5.636 -9.754 1.00 43.43 C ATOM 1217 C LYS A 78 2.111 5.530 -10.812 1.00 33.43 C ATOM 1218 O LYS A 78 2.311 5.876 -11.975 1.00 12.12 O ATOM 1219 CB LYS A 78 3.832 4.246 -9.453 1.00 40.14 C ATOM 1220 CG LYS A 78 4.687 3.656 -10.586 1.00 41.43 C ATOM 1221 CD LYS A 78 3.856 2.915 -11.633 1.00 53.32 C ATOM 1222 CE LYS A 78 4.727 2.390 -12.770 1.00 42.22 C ATOM 1223 NZ LYS A 78 5.802 1.481 -12.285 1.00 70.51 N ATOM 0 H LYS A 78 2.543 5.570 -7.768 1.00 70.30 H new ATOM 0 HA LYS A 78 4.003 6.282 -10.171 1.00 43.43 H new ATOM 0 HB2 LYS A 78 4.444 4.317 -8.554 1.00 40.14 H new ATOM 0 HB3 LYS A 78 3.020 3.554 -9.231 1.00 40.14 H new ATOM 0 HG2 LYS A 78 5.242 4.459 -11.071 1.00 41.43 H new ATOM 0 HG3 LYS A 78 5.422 2.972 -10.162 1.00 41.43 H new ATOM 0 HD2 LYS A 78 3.332 2.084 -11.161 1.00 53.32 H new ATOM 0 HD3 LYS A 78 3.095 3.584 -12.035 1.00 53.32 H new ATOM 0 HE2 LYS A 78 4.102 1.859 -13.488 1.00 42.22 H new ATOM 0 HE3 LYS A 78 5.176 3.231 -13.299 1.00 42.22 H new ATOM 0 HZ1 LYS A 78 5.954 0.722 -12.979 1.00 70.51 H new ATOM 0 HZ2 LYS A 78 6.683 2.020 -12.163 1.00 70.51 H new ATOM 0 HZ3 LYS A 78 5.521 1.066 -11.374 1.00 70.51 H new ATOM 1237 N LEU A 79 0.936 5.049 -10.402 1.00 43.34 N ATOM 1238 CA LEU A 79 -0.172 4.804 -11.338 1.00 4.25 C ATOM 1239 C LEU A 79 -1.103 6.022 -11.492 1.00 30.12 C ATOM 1240 O LEU A 79 -1.788 6.159 -12.505 1.00 21.34 O ATOM 1241 CB LEU A 79 -0.980 3.579 -10.884 1.00 22.42 C ATOM 1242 CG LEU A 79 -0.194 2.258 -10.845 1.00 65.23 C ATOM 1243 CD1 LEU A 79 -1.077 1.114 -10.349 1.00 43.02 C ATOM 1244 CD2 LEU A 79 0.385 1.940 -12.223 1.00 23.35 C ATOM 0 H LEU A 79 0.724 4.821 -9.431 1.00 43.34 H new ATOM 0 HA LEU A 79 0.271 4.616 -12.316 1.00 4.25 H new ATOM 0 HB2 LEU A 79 -1.380 3.775 -9.889 1.00 22.42 H new ATOM 0 HB3 LEU A 79 -1.832 3.457 -11.552 1.00 22.42 H new ATOM 0 HG LEU A 79 0.633 2.372 -10.144 1.00 65.23 H new ATOM 0 HD11 LEU A 79 -0.499 0.190 -10.330 1.00 43.02 H new ATOM 0 HD12 LEU A 79 -1.434 1.339 -9.344 1.00 43.02 H new ATOM 0 HD13 LEU A 79 -1.929 0.995 -11.019 1.00 43.02 H new ATOM 0 HD21 LEU A 79 0.938 1.002 -12.178 1.00 23.35 H new ATOM 0 HD22 LEU A 79 -0.426 1.849 -12.946 1.00 23.35 H new ATOM 0 HD23 LEU A 79 1.056 2.742 -12.530 1.00 23.35 H new ATOM 1256 N PHE A 80 -1.134 6.902 -10.490 1.00 63.52 N ATOM 1257 CA PHE A 80 -1.997 8.100 -10.535 1.00 44.40 C ATOM 1258 C PHE A 80 -1.221 9.370 -10.120 1.00 41.15 C ATOM 1259 O PHE A 80 -1.610 10.071 -9.182 1.00 73.30 O ATOM 1260 CB PHE A 80 -3.218 7.906 -9.616 1.00 70.45 C ATOM 1261 CG PHE A 80 -4.007 6.649 -9.902 1.00 41.34 C ATOM 1262 CD1 PHE A 80 -4.960 6.621 -10.912 1.00 60.43 C ATOM 1263 CD2 PHE A 80 -3.790 5.492 -9.160 1.00 51.14 C ATOM 1264 CE1 PHE A 80 -5.675 5.467 -11.175 1.00 4.23 C ATOM 1265 CE2 PHE A 80 -4.503 4.340 -9.421 1.00 73.23 C ATOM 1266 CZ PHE A 80 -5.446 4.325 -10.429 1.00 14.13 C ATOM 0 H PHE A 80 -0.578 6.815 -9.639 1.00 63.52 H new ATOM 0 HA PHE A 80 -2.334 8.232 -11.563 1.00 44.40 H new ATOM 0 HB2 PHE A 80 -2.880 7.883 -8.580 1.00 70.45 H new ATOM 0 HB3 PHE A 80 -3.877 8.768 -9.718 1.00 70.45 H new ATOM 0 HD1 PHE A 80 -5.144 7.509 -11.498 1.00 60.43 H new ATOM 0 HD2 PHE A 80 -3.054 5.496 -8.370 1.00 51.14 H new ATOM 0 HE1 PHE A 80 -6.413 5.457 -11.964 1.00 4.23 H new ATOM 0 HE2 PHE A 80 -4.323 3.450 -8.837 1.00 73.23 H new ATOM 0 HZ PHE A 80 -6.004 3.423 -10.635 1.00 14.13 H new ATOM 1276 N PRO A 81 -0.138 9.713 -10.848 1.00 24.41 N ATOM 1277 CA PRO A 81 0.798 10.787 -10.442 1.00 64.32 C ATOM 1278 C PRO A 81 0.205 12.206 -10.519 1.00 13.14 C ATOM 1279 O PRO A 81 0.753 13.138 -9.925 1.00 15.31 O ATOM 1280 CB PRO A 81 1.947 10.635 -11.448 1.00 2.31 C ATOM 1281 CG PRO A 81 1.311 10.037 -12.656 1.00 23.02 C ATOM 1282 CD PRO A 81 0.254 9.101 -12.136 1.00 15.22 C ATOM 0 HA PRO A 81 1.085 10.683 -9.396 1.00 64.32 H new ATOM 0 HB2 PRO A 81 2.404 11.598 -11.676 1.00 2.31 H new ATOM 0 HB3 PRO A 81 2.735 9.993 -11.056 1.00 2.31 H new ATOM 0 HG2 PRO A 81 0.874 10.808 -13.291 1.00 23.02 H new ATOM 0 HG3 PRO A 81 2.044 9.503 -13.261 1.00 23.02 H new ATOM 0 HD2 PRO A 81 -0.591 9.028 -12.821 1.00 15.22 H new ATOM 0 HD3 PRO A 81 0.642 8.091 -12.000 1.00 15.22 H new ATOM 1290 N ASP A 82 -0.904 12.362 -11.250 1.00 41.24 N ATOM 1291 CA ASP A 82 -1.532 13.672 -11.474 1.00 21.01 C ATOM 1292 C ASP A 82 -0.585 14.613 -12.242 1.00 13.03 C ATOM 1293 O ASP A 82 -0.772 14.870 -13.432 1.00 1.05 O ATOM 1294 CB ASP A 82 -1.972 14.298 -10.140 1.00 53.22 C ATOM 1295 CG ASP A 82 -2.738 15.595 -10.329 1.00 12.34 C ATOM 1296 OD1 ASP A 82 -3.975 15.544 -10.502 1.00 2.44 O ATOM 1297 OD2 ASP A 82 -2.113 16.674 -10.314 1.00 74.11 O ATOM 0 H ASP A 82 -1.391 11.588 -11.702 1.00 41.24 H new ATOM 0 HA ASP A 82 -2.421 13.523 -12.087 1.00 21.01 H new ATOM 0 HB2 ASP A 82 -2.596 13.588 -9.598 1.00 53.22 H new ATOM 0 HB3 ASP A 82 -1.093 14.486 -9.523 1.00 53.22 H new ATOM 1302 N THR A 83 0.433 15.106 -11.551 1.00 3.04 N ATOM 1303 CA THR A 83 1.462 15.962 -12.164 1.00 22.13 C ATOM 1304 C THR A 83 2.324 15.163 -13.156 1.00 5.15 C ATOM 1305 O THR A 83 2.772 14.060 -12.840 1.00 45.41 O ATOM 1306 CB THR A 83 2.387 16.593 -11.094 1.00 23.12 C ATOM 1307 OG1 THR A 83 3.023 15.564 -10.312 1.00 33.33 O ATOM 1308 CG2 THR A 83 1.604 17.524 -10.173 1.00 20.21 C ATOM 0 H THR A 83 0.577 14.931 -10.556 1.00 3.04 H new ATOM 0 HA THR A 83 0.936 16.757 -12.694 1.00 22.13 H new ATOM 0 HB THR A 83 3.148 17.175 -11.613 1.00 23.12 H new ATOM 0 HG1 THR A 83 3.606 15.976 -9.641 1.00 33.33 H new ATOM 0 HG21 THR A 83 2.278 17.953 -9.431 1.00 20.21 H new ATOM 0 HG22 THR A 83 1.154 18.324 -10.761 1.00 20.21 H new ATOM 0 HG23 THR A 83 0.820 16.961 -9.668 1.00 20.21 H new ATOM 1316 N PRO A 84 2.578 15.709 -14.366 1.00 2.41 N ATOM 1317 CA PRO A 84 3.340 15.009 -15.421 1.00 2.34 C ATOM 1318 C PRO A 84 4.823 14.795 -15.066 1.00 61.22 C ATOM 1319 O PRO A 84 5.699 15.558 -15.487 1.00 42.32 O ATOM 1320 CB PRO A 84 3.200 15.926 -16.652 1.00 50.32 C ATOM 1321 CG PRO A 84 2.105 16.887 -16.308 1.00 12.44 C ATOM 1322 CD PRO A 84 2.147 17.041 -14.814 1.00 62.14 C ATOM 0 HA PRO A 84 2.954 14.002 -15.579 1.00 2.34 H new ATOM 0 HB2 PRO A 84 4.133 16.451 -16.859 1.00 50.32 H new ATOM 0 HB3 PRO A 84 2.952 15.351 -17.544 1.00 50.32 H new ATOM 0 HG2 PRO A 84 2.257 17.846 -16.804 1.00 12.44 H new ATOM 0 HG3 PRO A 84 1.136 16.509 -16.635 1.00 12.44 H new ATOM 0 HD2 PRO A 84 2.847 17.818 -14.506 1.00 62.14 H new ATOM 0 HD3 PRO A 84 1.172 17.310 -14.407 1.00 62.14 H new ATOM 1330 N LEU A 85 5.091 13.756 -14.286 1.00 40.12 N ATOM 1331 CA LEU A 85 6.461 13.397 -13.896 1.00 40.22 C ATOM 1332 C LEU A 85 7.077 12.361 -14.859 1.00 32.24 C ATOM 1333 O LEU A 85 6.452 11.962 -15.848 1.00 54.23 O ATOM 1334 CB LEU A 85 6.467 12.882 -12.443 1.00 74.53 C ATOM 1335 CG LEU A 85 5.298 11.952 -12.053 1.00 43.52 C ATOM 1336 CD1 LEU A 85 5.361 10.621 -12.798 1.00 33.00 C ATOM 1337 CD2 LEU A 85 5.265 11.729 -10.542 1.00 72.24 C ATOM 0 H LEU A 85 4.375 13.138 -13.905 1.00 40.12 H new ATOM 0 HA LEU A 85 7.082 14.290 -13.958 1.00 40.22 H new ATOM 0 HB2 LEU A 85 7.402 12.350 -12.270 1.00 74.53 H new ATOM 0 HB3 LEU A 85 6.461 13.742 -11.773 1.00 74.53 H new ATOM 0 HG LEU A 85 4.373 12.447 -12.349 1.00 43.52 H new ATOM 0 HD11 LEU A 85 4.521 9.995 -12.496 1.00 33.00 H new ATOM 0 HD12 LEU A 85 5.311 10.802 -13.872 1.00 33.00 H new ATOM 0 HD13 LEU A 85 6.296 10.114 -12.559 1.00 33.00 H new ATOM 0 HD21 LEU A 85 4.434 11.071 -10.289 1.00 72.24 H new ATOM 0 HD22 LEU A 85 6.201 11.271 -10.221 1.00 72.24 H new ATOM 0 HD23 LEU A 85 5.137 12.686 -10.036 1.00 72.24 H new ATOM 1349 N ALA A 86 8.308 11.939 -14.575 1.00 63.43 N ATOM 1350 CA ALA A 86 9.023 10.974 -15.426 1.00 22.33 C ATOM 1351 C ALA A 86 9.720 9.891 -14.587 1.00 73.01 C ATOM 1352 O ALA A 86 10.799 9.407 -14.940 1.00 4.41 O ATOM 1353 CB ALA A 86 10.034 11.714 -16.299 1.00 2.21 C ATOM 0 H ALA A 86 8.837 12.248 -13.760 1.00 63.43 H new ATOM 0 HA ALA A 86 8.296 10.471 -16.064 1.00 22.33 H new ATOM 0 HB1 ALA A 86 10.563 10.999 -16.929 1.00 2.21 H new ATOM 0 HB2 ALA A 86 9.512 12.435 -16.928 1.00 2.21 H new ATOM 0 HB3 ALA A 86 10.749 12.237 -15.664 1.00 2.21 H new ATOM 1359 N LEU A 87 9.073 9.486 -13.497 1.00 1.43 N ATOM 1360 CA LEU A 87 9.662 8.536 -12.545 1.00 74.40 C ATOM 1361 C LEU A 87 9.921 7.151 -13.162 1.00 34.33 C ATOM 1362 O LEU A 87 10.937 6.518 -12.872 1.00 64.12 O ATOM 1363 CB LEU A 87 8.746 8.369 -11.321 1.00 14.33 C ATOM 1364 CG LEU A 87 8.452 9.646 -10.517 1.00 34.42 C ATOM 1365 CD1 LEU A 87 7.560 9.327 -9.320 1.00 54.50 C ATOM 1366 CD2 LEU A 87 9.745 10.314 -10.062 1.00 5.11 C ATOM 0 H LEU A 87 8.136 9.800 -13.247 1.00 1.43 H new ATOM 0 HA LEU A 87 10.624 8.956 -12.251 1.00 74.40 H new ATOM 0 HB2 LEU A 87 7.798 7.949 -11.657 1.00 14.33 H new ATOM 0 HB3 LEU A 87 9.199 7.638 -10.651 1.00 14.33 H new ATOM 0 HG LEU A 87 7.924 10.344 -11.167 1.00 34.42 H new ATOM 0 HD11 LEU A 87 7.361 10.241 -8.761 1.00 54.50 H new ATOM 0 HD12 LEU A 87 6.619 8.904 -9.670 1.00 54.50 H new ATOM 0 HD13 LEU A 87 8.063 8.608 -8.673 1.00 54.50 H new ATOM 0 HD21 LEU A 87 9.509 11.215 -9.495 1.00 5.11 H new ATOM 0 HD22 LEU A 87 10.308 9.626 -9.431 1.00 5.11 H new ATOM 0 HD23 LEU A 87 10.344 10.580 -10.933 1.00 5.11 H new ATOM 1378 N ASP A 88 9.009 6.689 -14.014 1.00 31.24 N ATOM 1379 CA ASP A 88 9.020 5.289 -14.457 1.00 34.11 C ATOM 1380 C ASP A 88 9.015 5.141 -15.992 1.00 10.30 C ATOM 1381 O ASP A 88 8.051 5.525 -16.663 1.00 13.02 O ATOM 1382 CB ASP A 88 7.807 4.573 -13.852 1.00 50.42 C ATOM 1383 CG ASP A 88 7.873 3.064 -14.006 1.00 22.23 C ATOM 1384 OD1 ASP A 88 7.521 2.551 -15.084 1.00 52.43 O ATOM 1385 OD2 ASP A 88 8.264 2.379 -13.038 1.00 50.33 O ATOM 0 H ASP A 88 8.258 7.254 -14.411 1.00 31.24 H new ATOM 0 HA ASP A 88 9.949 4.837 -14.111 1.00 34.11 H new ATOM 0 HB2 ASP A 88 7.735 4.822 -12.793 1.00 50.42 H new ATOM 0 HB3 ASP A 88 6.899 4.942 -14.328 1.00 50.42 H new ATOM 1390 N ALA A 89 10.114 4.594 -16.527 1.00 30.54 N ATOM 1391 CA ALA A 89 10.219 4.191 -17.945 1.00 1.01 C ATOM 1392 C ALA A 89 9.732 5.264 -18.942 1.00 1.01 C ATOM 1393 O ALA A 89 9.211 4.937 -20.011 1.00 43.52 O ATOM 1394 CB ALA A 89 9.456 2.885 -18.158 1.00 33.54 C ATOM 0 H ALA A 89 10.963 4.415 -15.990 1.00 30.54 H new ATOM 0 HA ALA A 89 11.280 4.056 -18.154 1.00 1.01 H new ATOM 0 HB1 ALA A 89 9.532 2.586 -19.203 1.00 33.54 H new ATOM 0 HB2 ALA A 89 9.883 2.107 -17.526 1.00 33.54 H new ATOM 0 HB3 ALA A 89 8.408 3.029 -17.897 1.00 33.54 H new ATOM 1400 N ASN A 90 9.929 6.538 -18.618 1.00 11.34 N ATOM 1401 CA ASN A 90 9.467 7.630 -19.487 1.00 30.43 C ATOM 1402 C ASN A 90 10.471 7.916 -20.626 1.00 74.41 C ATOM 1403 O ASN A 90 11.387 8.735 -20.477 1.00 10.25 O ATOM 1404 CB ASN A 90 9.209 8.896 -18.657 1.00 54.42 C ATOM 1405 CG ASN A 90 8.502 9.993 -19.441 1.00 70.43 C ATOM 1406 OD1 ASN A 90 8.675 10.133 -20.646 1.00 2.32 O ATOM 1407 ND2 ASN A 90 7.696 10.782 -18.759 1.00 24.42 N ATOM 0 H ASN A 90 10.401 6.845 -17.768 1.00 11.34 H new ATOM 0 HA ASN A 90 8.532 7.317 -19.950 1.00 30.43 H new ATOM 0 HB2 ASN A 90 8.608 8.635 -17.786 1.00 54.42 H new ATOM 0 HB3 ASN A 90 10.159 9.279 -18.285 1.00 54.42 H new ATOM 0 HD21 ASN A 90 7.196 11.534 -19.234 1.00 24.42 H new ATOM 0 HD22 ASN A 90 7.572 10.641 -17.756 1.00 24.42 H new ATOM 1414 N LYS A 91 10.300 7.207 -21.749 1.00 22.45 N ATOM 1415 CA LYS A 91 11.103 7.426 -22.970 1.00 75.20 C ATOM 1416 C LYS A 91 10.647 6.494 -24.116 1.00 12.34 C ATOM 1417 O LYS A 91 11.081 5.318 -24.155 1.00 37.77 O ATOM 1418 CB LYS A 91 12.607 7.232 -22.694 1.00 44.30 C ATOM 1419 CG LYS A 91 13.501 7.484 -23.909 1.00 32.35 C ATOM 1420 CD LYS A 91 13.405 8.928 -24.412 1.00 53.31 C ATOM 1421 CE LYS A 91 14.175 9.922 -23.537 1.00 60.30 C ATOM 1422 NZ LYS A 91 13.608 10.046 -22.166 1.00 63.23 N ATOM 1423 OXT LYS A 91 9.860 6.945 -24.977 1.00 37.77 O ATOM 0 H LYS A 91 9.605 6.467 -21.842 1.00 22.45 H new ATOM 0 HA LYS A 91 10.941 8.458 -23.281 1.00 75.20 H new ATOM 0 HB2 LYS A 91 12.908 7.903 -21.889 1.00 44.30 H new ATOM 0 HB3 LYS A 91 12.772 6.215 -22.339 1.00 44.30 H new ATOM 0 HG2 LYS A 91 14.536 7.260 -23.649 1.00 32.35 H new ATOM 0 HG3 LYS A 91 13.220 6.802 -24.712 1.00 32.35 H new ATOM 0 HD2 LYS A 91 13.788 8.978 -25.431 1.00 53.31 H new ATOM 0 HD3 LYS A 91 12.357 9.224 -24.451 1.00 53.31 H new ATOM 0 HE2 LYS A 91 15.216 9.607 -23.467 1.00 60.30 H new ATOM 0 HE3 LYS A 91 14.170 10.901 -24.017 1.00 60.30 H new ATOM 0 HZ1 LYS A 91 13.707 11.028 -21.837 1.00 63.23 H new ATOM 0 HZ2 LYS A 91 12.601 9.786 -22.182 1.00 63.23 H new ATOM 0 HZ3 LYS A 91 14.119 9.411 -21.520 1.00 63.23 H new TER 1437 LYS A 91