USER MOD reduce.3.24.130724 H: found=0, std=0, add=1234, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1234 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 45 LYS NZ :NH3+ -127:sc= 1.2 (180deg=0.0189) USER MOD Set 1.2: B 73 LYS NZ :NH3+ -160:sc= 1.22 (180deg=0.121) USER MOD Set 2.1: B 66 GLN : amide:sc= -0.691 K(o=0.31,f=-0.48) USER MOD Set 2.2: B 70 ASN : amide:sc= 0.998 K(o=0.31,f=-0.48) USER MOD Set 3.1: A 75 ASN : amide:sc= -1! K(o=-0.85!,f=-2.1) USER MOD Set 3.2: B 56 LYS NZ :NH3+ 168:sc= 0.156 (180deg=0) USER MOD Set 4.1: A 1 MET CE :methyl -153:sc= 0 (180deg=0) USER MOD Set 4.2: A 9 SER OG : rot 120:sc= 0.0236 USER MOD Set 5.1: A 8 THR OG1 : rot -79:sc= 1.36 USER MOD Set 5.2: A 13 MET CE :methyl 161:sc= -1.14 (180deg=-2.29!) USER MOD Single : A 1 MET N :NH3+ -172:sc= 1.22 (180deg=0.845) USER MOD Single : A 2 SER OG : rot 180:sc= 0.101 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0806 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00708 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0618 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -125:sc= 2.38 (180deg=-0.396) USER MOD Single : A 38 ASN : amide:sc= -0.125 X(o=-0.12,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.331 K(o=-0.33,f=-2.9!) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 47 THR OG1 : rot 72:sc= 0.67 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot -36:sc= -0.744! USER MOD Single : A 56 LYS NZ :NH3+ -149:sc= -0.504 (180deg=-1.94!) USER MOD Single : A 58 THR OG1 : rot -133:sc= 1.24 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0519 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.162 USER MOD Single : A 65 ASN : amide:sc= -0.746 K(o=-0.75,f=-1.9) USER MOD Single : A 66 GLN : amide:sc= 0.879 K(o=0.88,f=-3.3!) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 73 LYS NZ :NH3+ -132:sc= 1.03 (180deg=-0.554) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -146:sc= 1.24 (180deg=-0.0845!) USER MOD Single : B 2 SER OG : rot 180:sc= 0.0889 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 8 THR OG1 : rot -83:sc= 1.33 USER MOD Single : B 9 SER OG : rot 180:sc= 0.0542 USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 MET CE :methyl 152:sc= -0.226 (180deg=-0.998) USER MOD Single : B 14 THR OG1 : rot 180:sc= -0.351 USER MOD Single : B 18 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : B 26 THR OG1 : rot 72:sc= 0.177 USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 137:sc= 1.13 (180deg=-1.92!) USER MOD Single : B 35 LYS NZ :NH3+ 154:sc= 0.951 (180deg=0.523) USER MOD Single : B 38 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : B 40 ASN : amide:sc= -0.0495 X(o=-0.05,f=-0.067) USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 1.28 (180deg=1.28) USER MOD Single : B 46 HIS : no HD1:sc= -0.0796 X(o=-0.08,f=-0.45) USER MOD Single : B 47 THR OG1 : rot 180:sc= 0.0368 USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 CYS SG : rot 54:sc= -2.64! USER MOD Single : B 58 THR OG1 : rot -150:sc= -0.575 USER MOD Single : B 59 SER OG : rot 180:sc= 0.187 USER MOD Single : B 61 THR OG1 : rot 180:sc= 0.018 USER MOD Single : B 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 75 ASN : amide:sc= 0.692 K(o=0.69,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.462 30.337 31.403 1.00 52.69 N ATOM 2 CA MET A 1 -4.911 29.750 32.686 1.00 52.68 C ATOM 3 C MET A 1 -6.280 29.102 32.527 1.00 52.43 C ATOM 4 O MET A 1 -6.892 29.187 31.463 1.00 52.55 O ATOM 5 CB MET A 1 -4.961 30.852 33.748 1.00 52.98 C ATOM 6 CG MET A 1 -4.340 30.442 35.073 1.00 53.17 C ATOM 7 SD MET A 1 -2.783 31.292 35.405 1.00 53.83 S ATOM 8 CE MET A 1 -3.359 32.681 36.380 1.00 54.20 C ATOM 0 H1 MET A 1 -3.475 30.653 31.492 1.00 52.69 H new ATOM 0 H2 MET A 1 -4.529 29.621 30.651 1.00 52.69 H new ATOM 0 H3 MET A 1 -5.066 31.149 31.163 1.00 52.69 H new ATOM 0 HA MET A 1 -4.208 28.977 32.996 1.00 52.68 H new ATOM 0 HB2 MET A 1 -4.444 31.734 33.370 1.00 52.98 H new ATOM 0 HB3 MET A 1 -5.999 31.138 33.915 1.00 52.98 H new ATOM 0 HG2 MET A 1 -5.043 30.652 35.879 1.00 53.17 H new ATOM 0 HG3 MET A 1 -4.168 29.366 35.072 1.00 53.17 H new ATOM 0 HE1 MET A 1 -2.670 33.517 36.265 1.00 54.20 H new ATOM 0 HE2 MET A 1 -4.351 32.979 36.039 1.00 54.20 H new ATOM 0 HE3 MET A 1 -3.408 32.393 37.430 1.00 54.20 H new ATOM 20 N SER A 2 -6.734 28.414 33.567 1.00 52.13 N ATOM 21 CA SER A 2 -7.994 27.680 33.528 1.00 51.92 C ATOM 22 C SER A 2 -9.207 28.610 33.619 1.00 51.30 C ATOM 23 O SER A 2 -10.141 28.354 34.377 1.00 50.91 O ATOM 24 CB SER A 2 -8.010 26.683 34.682 1.00 51.94 C ATOM 25 OG SER A 2 -6.734 26.626 35.311 1.00 52.25 O ATOM 0 H SER A 2 -6.242 28.349 34.458 1.00 52.13 H new ATOM 0 HA SER A 2 -8.063 27.162 32.572 1.00 51.92 H new ATOM 0 HB2 SER A 2 -8.768 26.973 35.410 1.00 51.94 H new ATOM 0 HB3 SER A 2 -8.284 25.695 34.313 1.00 51.94 H new ATOM 0 HG SER A 2 -6.762 25.983 36.050 1.00 52.25 H new ATOM 31 N LEU A 3 -9.205 29.665 32.816 1.00 51.24 N ATOM 32 CA LEU A 3 -10.314 30.607 32.779 1.00 50.73 C ATOM 33 C LEU A 3 -10.364 31.309 31.425 1.00 49.93 C ATOM 34 O LEU A 3 -11.083 30.878 30.525 1.00 49.72 O ATOM 35 CB LEU A 3 -10.194 31.644 33.906 1.00 50.73 C ATOM 36 CG LEU A 3 -8.844 31.681 34.626 1.00 51.38 C ATOM 37 CD1 LEU A 3 -8.194 33.045 34.475 1.00 51.29 C ATOM 38 CD2 LEU A 3 -9.016 31.330 36.095 1.00 51.81 C ATOM 0 H LEU A 3 -8.442 29.890 32.178 1.00 51.24 H new ATOM 0 HA LEU A 3 -11.238 30.048 32.926 1.00 50.73 H new ATOM 0 HB2 LEU A 3 -10.391 32.632 33.490 1.00 50.73 H new ATOM 0 HB3 LEU A 3 -10.973 31.447 34.642 1.00 50.73 H new ATOM 0 HG LEU A 3 -8.190 30.939 34.169 1.00 51.38 H new ATOM 0 HD11 LEU A 3 -7.235 33.051 34.994 1.00 51.29 H new ATOM 0 HD12 LEU A 3 -8.036 33.258 33.418 1.00 51.29 H new ATOM 0 HD13 LEU A 3 -8.844 33.807 34.905 1.00 51.29 H new ATOM 0 HD21 LEU A 3 -8.047 31.361 36.592 1.00 51.81 H new ATOM 0 HD22 LEU A 3 -9.688 32.049 36.565 1.00 51.81 H new ATOM 0 HD23 LEU A 3 -9.437 30.328 36.183 1.00 51.81 H new ATOM 50 N GLU A 4 -9.572 32.372 31.288 1.00 49.54 N ATOM 51 CA GLU A 4 -9.499 33.150 30.048 1.00 48.79 C ATOM 52 C GLU A 4 -10.863 33.733 29.685 1.00 48.08 C ATOM 53 O GLU A 4 -11.180 33.932 28.513 1.00 47.64 O ATOM 54 CB GLU A 4 -8.955 32.297 28.899 1.00 48.81 C ATOM 55 CG GLU A 4 -7.510 32.607 28.551 1.00 49.11 C ATOM 56 CD GLU A 4 -6.527 31.765 29.337 1.00 49.00 C ATOM 57 OE1 GLU A 4 -6.292 32.068 30.528 1.00 48.89 O ATOM 58 OE2 GLU A 4 -5.978 30.796 28.767 1.00 49.07 O ATOM 0 H GLU A 4 -8.964 32.719 32.030 1.00 49.54 H new ATOM 0 HA GLU A 4 -8.810 33.978 30.215 1.00 48.79 H new ATOM 0 HB2 GLU A 4 -9.039 31.244 29.167 1.00 48.81 H new ATOM 0 HB3 GLU A 4 -9.575 32.452 28.016 1.00 48.81 H new ATOM 0 HG2 GLU A 4 -7.353 32.441 27.485 1.00 49.11 H new ATOM 0 HG3 GLU A 4 -7.313 33.662 28.742 1.00 49.11 H new ATOM 65 N LYS A 5 -11.647 34.042 30.704 1.00 48.00 N ATOM 66 CA LYS A 5 -12.961 34.631 30.517 1.00 47.39 C ATOM 67 C LYS A 5 -13.017 35.973 31.247 1.00 46.83 C ATOM 68 O LYS A 5 -11.969 36.566 31.509 1.00 46.53 O ATOM 69 CB LYS A 5 -14.037 33.661 31.028 1.00 47.60 C ATOM 70 CG LYS A 5 -13.852 33.231 32.477 1.00 48.09 C ATOM 71 CD LYS A 5 -15.127 33.419 33.279 1.00 48.48 C ATOM 72 CE LYS A 5 -14.846 33.451 34.772 1.00 49.07 C ATOM 73 NZ LYS A 5 -15.418 32.269 35.469 1.00 49.26 N ATOM 0 H LYS A 5 -11.392 33.892 31.680 1.00 48.00 H new ATOM 0 HA LYS A 5 -13.150 34.810 29.459 1.00 47.39 H new ATOM 0 HB2 LYS A 5 -15.014 34.132 30.922 1.00 47.60 H new ATOM 0 HB3 LYS A 5 -14.041 32.774 30.395 1.00 47.60 H new ATOM 0 HG2 LYS A 5 -13.550 32.184 32.511 1.00 48.09 H new ATOM 0 HG3 LYS A 5 -13.047 33.810 32.930 1.00 48.09 H new ATOM 0 HD2 LYS A 5 -15.613 34.347 32.979 1.00 48.48 H new ATOM 0 HD3 LYS A 5 -15.821 32.609 33.056 1.00 48.48 H new ATOM 0 HE2 LYS A 5 -13.769 33.485 34.938 1.00 49.07 H new ATOM 0 HE3 LYS A 5 -15.263 34.362 35.201 1.00 49.07 H new ATOM 0 HZ1 LYS A 5 -15.205 32.328 36.485 1.00 49.26 H new ATOM 0 HZ2 LYS A 5 -16.449 32.250 35.332 1.00 49.26 H new ATOM 0 HZ3 LYS A 5 -15.001 31.400 35.078 1.00 49.26 H new ATOM 87 N ALA A 6 -14.213 36.435 31.608 1.00 46.75 N ATOM 88 CA ALA A 6 -14.356 37.682 32.358 1.00 46.29 C ATOM 89 C ALA A 6 -13.506 37.658 33.628 1.00 45.95 C ATOM 90 O ALA A 6 -13.343 36.604 34.253 1.00 46.32 O ATOM 91 CB ALA A 6 -15.816 37.929 32.704 1.00 46.58 C ATOM 0 H ALA A 6 -15.094 35.967 31.394 1.00 46.75 H new ATOM 0 HA ALA A 6 -14.002 38.498 31.728 1.00 46.29 H new ATOM 0 HB1 ALA A 6 -15.905 38.861 33.262 1.00 46.58 H new ATOM 0 HB2 ALA A 6 -16.401 37.998 31.787 1.00 46.58 H new ATOM 0 HB3 ALA A 6 -16.190 37.105 33.312 1.00 46.58 H new ATOM 97 N HIS A 7 -12.886 38.797 33.934 1.00 45.30 N ATOM 98 CA HIS A 7 -11.955 38.910 35.054 1.00 44.97 C ATOM 99 C HIS A 7 -10.747 38.012 34.824 1.00 44.39 C ATOM 100 O HIS A 7 -10.505 37.059 35.569 1.00 43.96 O ATOM 101 CB HIS A 7 -12.635 38.564 36.383 1.00 44.96 C ATOM 102 CG HIS A 7 -12.864 39.753 37.261 1.00 45.01 C ATOM 103 ND1 HIS A 7 -11.846 40.556 37.724 1.00 44.94 N ATOM 104 CD2 HIS A 7 -14.007 40.282 37.750 1.00 45.18 C ATOM 105 CE1 HIS A 7 -12.353 41.525 38.458 1.00 45.06 C ATOM 106 NE2 HIS A 7 -13.664 41.384 38.489 1.00 45.21 N ATOM 0 H HIS A 7 -13.015 39.665 33.414 1.00 45.30 H new ATOM 0 HA HIS A 7 -11.621 39.946 35.113 1.00 44.97 H new ATOM 0 HB2 HIS A 7 -13.592 38.083 36.179 1.00 44.96 H new ATOM 0 HB3 HIS A 7 -12.022 37.839 36.918 1.00 44.96 H new ATOM 0 HD2 HIS A 7 -15.006 39.906 37.588 1.00 45.18 H new ATOM 0 HE1 HIS A 7 -11.790 42.304 38.951 1.00 45.06 H new ATOM 0 HE2 HIS A 7 -14.315 41.995 38.982 1.00 45.21 H new ATOM 115 N THR A 8 -10.047 38.275 33.733 1.00 44.44 N ATOM 116 CA THR A 8 -8.909 37.470 33.331 1.00 43.96 C ATOM 117 C THR A 8 -7.643 37.893 34.065 1.00 43.67 C ATOM 118 O THR A 8 -7.591 38.965 34.671 1.00 43.66 O ATOM 119 CB THR A 8 -8.678 37.593 31.816 1.00 44.29 C ATOM 120 OG1 THR A 8 -9.846 38.156 31.201 1.00 44.86 O ATOM 121 CG2 THR A 8 -8.372 36.240 31.192 1.00 43.97 C ATOM 0 H THR A 8 -10.252 39.051 33.103 1.00 44.44 H new ATOM 0 HA THR A 8 -9.132 36.435 33.588 1.00 43.96 H new ATOM 0 HB THR A 8 -7.819 38.243 31.651 1.00 44.29 H new ATOM 0 HG1 THR A 8 -10.530 37.461 31.101 1.00 44.86 H new ATOM 0 HG21 THR A 8 -8.214 36.361 30.120 1.00 43.97 H new ATOM 0 HG22 THR A 8 -7.473 35.824 31.647 1.00 43.97 H new ATOM 0 HG23 THR A 8 -9.210 35.564 31.361 1.00 43.97 H new ATOM 129 N SER A 9 -6.610 37.069 33.962 1.00 43.50 N ATOM 130 CA SER A 9 -5.319 37.377 34.550 1.00 43.27 C ATOM 131 C SER A 9 -4.513 38.261 33.595 1.00 42.89 C ATOM 132 O SER A 9 -5.080 38.877 32.693 1.00 42.78 O ATOM 133 CB SER A 9 -4.578 36.073 34.847 1.00 43.30 C ATOM 134 OG SER A 9 -5.487 34.983 34.899 1.00 43.56 O ATOM 0 H SER A 9 -6.644 36.175 33.472 1.00 43.50 H new ATOM 0 HA SER A 9 -5.455 37.922 35.484 1.00 43.27 H new ATOM 0 HB2 SER A 9 -3.827 35.891 34.078 1.00 43.30 H new ATOM 0 HB3 SER A 9 -4.048 36.157 35.796 1.00 43.30 H new ATOM 0 HG SER A 9 -5.247 34.324 34.215 1.00 43.56 H new ATOM 140 N VAL A 10 -3.198 38.314 33.780 1.00 42.75 N ATOM 141 CA VAL A 10 -2.343 39.121 32.914 1.00 42.43 C ATOM 142 C VAL A 10 -2.175 38.461 31.549 1.00 41.60 C ATOM 143 O VAL A 10 -1.319 37.593 31.365 1.00 41.43 O ATOM 144 CB VAL A 10 -0.947 39.370 33.528 1.00 42.78 C ATOM 145 CG1 VAL A 10 -0.893 40.737 34.190 1.00 43.09 C ATOM 146 CG2 VAL A 10 -0.571 38.276 34.517 1.00 43.59 C ATOM 0 H VAL A 10 -2.703 37.812 34.517 1.00 42.75 H new ATOM 0 HA VAL A 10 -2.843 40.083 32.802 1.00 42.43 H new ATOM 0 HB VAL A 10 -0.217 39.347 32.719 1.00 42.78 H new ATOM 0 HG11 VAL A 10 0.097 40.896 34.617 1.00 43.09 H new ATOM 0 HG12 VAL A 10 -1.096 41.509 33.448 1.00 43.09 H new ATOM 0 HG13 VAL A 10 -1.642 40.788 34.981 1.00 43.09 H new ATOM 0 HG21 VAL A 10 0.416 38.482 34.930 1.00 43.59 H new ATOM 0 HG22 VAL A 10 -1.303 38.248 35.324 1.00 43.59 H new ATOM 0 HG23 VAL A 10 -0.557 37.313 34.006 1.00 43.59 H new ATOM 156 N LYS A 11 -3.021 38.856 30.610 1.00 41.14 N ATOM 157 CA LYS A 11 -3.003 38.301 29.268 1.00 40.38 C ATOM 158 C LYS A 11 -2.860 39.415 28.234 1.00 39.65 C ATOM 159 O LYS A 11 -2.533 40.555 28.579 1.00 39.62 O ATOM 160 CB LYS A 11 -4.285 37.501 29.011 1.00 40.21 C ATOM 161 CG LYS A 11 -4.498 36.349 29.984 1.00 40.53 C ATOM 162 CD LYS A 11 -3.569 35.184 29.681 1.00 40.45 C ATOM 163 CE LYS A 11 -3.968 34.472 28.400 1.00 40.17 C ATOM 164 NZ LYS A 11 -2.832 33.719 27.802 1.00 40.27 N ATOM 0 H LYS A 11 -3.737 39.568 30.757 1.00 41.14 H new ATOM 0 HA LYS A 11 -2.147 37.632 29.178 1.00 40.38 H new ATOM 0 HB2 LYS A 11 -5.140 38.175 29.068 1.00 40.21 H new ATOM 0 HB3 LYS A 11 -4.258 37.106 27.995 1.00 40.21 H new ATOM 0 HG2 LYS A 11 -4.327 36.696 31.003 1.00 40.53 H new ATOM 0 HG3 LYS A 11 -5.534 36.013 29.931 1.00 40.53 H new ATOM 0 HD2 LYS A 11 -2.545 35.547 29.593 1.00 40.45 H new ATOM 0 HD3 LYS A 11 -3.586 34.478 30.511 1.00 40.45 H new ATOM 0 HE2 LYS A 11 -4.789 33.785 28.608 1.00 40.17 H new ATOM 0 HE3 LYS A 11 -4.338 35.202 27.680 1.00 40.17 H new ATOM 0 HZ1 LYS A 11 -3.148 33.248 26.930 1.00 40.27 H new ATOM 0 HZ2 LYS A 11 -2.058 34.377 27.579 1.00 40.27 H new ATOM 0 HZ3 LYS A 11 -2.495 33.004 28.478 1.00 40.27 H new ATOM 178 N LYS A 12 -3.158 39.100 26.983 1.00 39.13 N ATOM 179 CA LYS A 12 -3.101 40.078 25.908 1.00 38.46 C ATOM 180 C LYS A 12 -4.341 39.952 25.032 1.00 37.88 C ATOM 181 O LYS A 12 -4.255 39.588 23.860 1.00 37.85 O ATOM 182 CB LYS A 12 -1.832 39.880 25.070 1.00 38.37 C ATOM 183 CG LYS A 12 -0.722 40.867 25.397 1.00 38.40 C ATOM 184 CD LYS A 12 -1.010 42.241 24.814 1.00 38.58 C ATOM 185 CE LYS A 12 -0.360 43.342 25.634 1.00 38.68 C ATOM 186 NZ LYS A 12 -1.301 44.457 25.915 1.00 38.69 N ATOM 0 H LYS A 12 -3.444 38.167 26.686 1.00 39.13 H new ATOM 0 HA LYS A 12 -3.072 41.078 26.340 1.00 38.46 H new ATOM 0 HB2 LYS A 12 -1.461 38.866 25.223 1.00 38.37 H new ATOM 0 HB3 LYS A 12 -2.087 39.971 24.014 1.00 38.37 H new ATOM 0 HG2 LYS A 12 -0.610 40.945 26.478 1.00 38.40 H new ATOM 0 HG3 LYS A 12 0.225 40.495 25.005 1.00 38.40 H new ATOM 0 HD2 LYS A 12 -0.644 42.286 23.788 1.00 38.58 H new ATOM 0 HD3 LYS A 12 -2.087 42.402 24.776 1.00 38.58 H new ATOM 0 HE2 LYS A 12 0.002 42.927 26.575 1.00 38.68 H new ATOM 0 HE3 LYS A 12 0.509 43.727 25.100 1.00 38.68 H new ATOM 0 HZ1 LYS A 12 -0.817 45.186 26.477 1.00 38.69 H new ATOM 0 HZ2 LYS A 12 -1.627 44.870 25.018 1.00 38.69 H new ATOM 0 HZ3 LYS A 12 -2.118 44.096 26.447 1.00 38.69 H new ATOM 200 N MET A 13 -5.497 40.184 25.636 1.00 37.50 N ATOM 201 CA MET A 13 -6.771 40.029 24.947 1.00 36.98 C ATOM 202 C MET A 13 -6.898 41.023 23.802 1.00 36.15 C ATOM 203 O MET A 13 -7.351 40.674 22.711 1.00 35.91 O ATOM 204 CB MET A 13 -7.924 40.220 25.928 1.00 37.36 C ATOM 205 CG MET A 13 -8.514 38.916 26.439 1.00 37.17 C ATOM 206 SD MET A 13 -7.771 38.368 27.991 1.00 37.20 S ATOM 207 CE MET A 13 -7.948 39.843 28.994 1.00 36.92 C ATOM 0 H MET A 13 -5.580 40.482 26.608 1.00 37.50 H new ATOM 0 HA MET A 13 -6.811 39.021 24.533 1.00 36.98 H new ATOM 0 HB2 MET A 13 -7.574 40.807 26.777 1.00 37.36 H new ATOM 0 HB3 MET A 13 -8.710 40.799 25.443 1.00 37.36 H new ATOM 0 HG2 MET A 13 -9.588 39.040 26.580 1.00 37.17 H new ATOM 0 HG3 MET A 13 -8.379 38.142 25.684 1.00 37.17 H new ATOM 0 HE1 MET A 13 -7.857 39.580 30.048 1.00 36.92 H new ATOM 0 HE2 MET A 13 -7.169 40.558 28.730 1.00 36.92 H new ATOM 0 HE3 MET A 13 -8.926 40.290 28.815 1.00 36.92 H new ATOM 217 N THR A 14 -6.487 42.253 24.054 1.00 35.77 N ATOM 218 CA THR A 14 -6.541 43.296 23.050 1.00 35.01 C ATOM 219 C THR A 14 -5.350 43.208 22.102 1.00 34.25 C ATOM 220 O THR A 14 -4.209 43.027 22.535 1.00 34.26 O ATOM 221 CB THR A 14 -6.568 44.682 23.703 1.00 35.04 C ATOM 222 OG1 THR A 14 -6.083 44.601 25.053 1.00 35.67 O ATOM 223 CG2 THR A 14 -7.976 45.255 23.702 1.00 35.17 C ATOM 0 H THR A 14 -6.110 42.554 24.953 1.00 35.77 H new ATOM 0 HA THR A 14 -7.459 43.151 22.480 1.00 35.01 H new ATOM 0 HB THR A 14 -5.923 45.342 23.123 1.00 35.04 H new ATOM 0 HG1 THR A 14 -6.102 45.492 25.462 1.00 35.67 H new ATOM 0 HG21 THR A 14 -7.969 46.239 24.171 1.00 35.17 H new ATOM 0 HG22 THR A 14 -8.332 45.345 22.676 1.00 35.17 H new ATOM 0 HG23 THR A 14 -8.639 44.593 24.259 1.00 35.17 H new ATOM 231 N PHE A 15 -5.618 43.330 20.809 1.00 33.64 N ATOM 232 CA PHE A 15 -4.563 43.300 19.806 1.00 32.92 C ATOM 233 C PHE A 15 -3.989 44.699 19.618 1.00 32.10 C ATOM 234 O PHE A 15 -2.879 44.867 19.101 1.00 31.56 O ATOM 235 CB PHE A 15 -5.093 42.731 18.478 1.00 32.71 C ATOM 236 CG PHE A 15 -5.703 43.751 17.552 1.00 32.75 C ATOM 237 CD1 PHE A 15 -7.022 44.151 17.706 1.00 32.99 C ATOM 238 CD2 PHE A 15 -4.960 44.302 16.520 1.00 32.63 C ATOM 239 CE1 PHE A 15 -7.583 45.083 16.855 1.00 33.10 C ATOM 240 CE2 PHE A 15 -5.515 45.234 15.667 1.00 32.74 C ATOM 241 CZ PHE A 15 -6.829 45.623 15.833 1.00 32.99 C ATOM 0 H PHE A 15 -6.557 43.451 20.430 1.00 33.64 H new ATOM 0 HA PHE A 15 -3.764 42.643 20.149 1.00 32.92 H new ATOM 0 HB2 PHE A 15 -4.273 42.234 17.959 1.00 32.71 H new ATOM 0 HB3 PHE A 15 -5.840 41.968 18.698 1.00 32.71 H new ATOM 0 HD1 PHE A 15 -7.618 43.728 18.501 1.00 32.99 H new ATOM 0 HD2 PHE A 15 -3.933 43.998 16.382 1.00 32.63 H new ATOM 0 HE1 PHE A 15 -8.610 45.389 16.989 1.00 33.10 H new ATOM 0 HE2 PHE A 15 -4.922 45.659 14.870 1.00 32.74 H new ATOM 0 HZ PHE A 15 -7.267 46.349 15.164 1.00 32.99 H new ATOM 251 N GLY A 16 -4.752 45.697 20.058 1.00 32.07 N ATOM 252 CA GLY A 16 -4.324 47.075 19.963 1.00 31.38 C ATOM 253 C GLY A 16 -4.132 47.526 18.537 1.00 30.74 C ATOM 254 O GLY A 16 -5.088 47.619 17.764 1.00 30.29 O ATOM 0 H GLY A 16 -5.670 45.568 20.483 1.00 32.07 H new ATOM 0 HA2 GLY A 16 -5.062 47.715 20.446 1.00 31.38 H new ATOM 0 HA3 GLY A 16 -3.389 47.199 20.509 1.00 31.38 H new ATOM 258 N GLU A 17 -2.892 47.797 18.188 1.00 30.74 N ATOM 259 CA GLU A 17 -2.550 48.223 16.847 1.00 30.20 C ATOM 260 C GLU A 17 -1.394 47.381 16.325 1.00 29.71 C ATOM 261 O GLU A 17 -0.708 47.760 15.380 1.00 29.63 O ATOM 262 CB GLU A 17 -2.178 49.709 16.838 1.00 30.52 C ATOM 263 CG GLU A 17 -3.307 50.633 17.281 1.00 30.95 C ATOM 264 CD GLU A 17 -3.235 50.993 18.755 1.00 31.17 C ATOM 265 OE1 GLU A 17 -2.148 50.860 19.355 1.00 31.29 O ATOM 266 OE2 GLU A 17 -4.269 51.408 19.322 1.00 31.28 O ATOM 0 H GLU A 17 -2.096 47.729 18.822 1.00 30.74 H new ATOM 0 HA GLU A 17 -3.413 48.085 16.196 1.00 30.20 H new ATOM 0 HB2 GLU A 17 -1.319 49.862 17.492 1.00 30.52 H new ATOM 0 HB3 GLU A 17 -1.867 49.989 15.832 1.00 30.52 H new ATOM 0 HG2 GLU A 17 -3.275 51.547 16.687 1.00 30.95 H new ATOM 0 HG3 GLU A 17 -4.264 50.153 17.076 1.00 30.95 H new ATOM 273 N ASN A 18 -1.145 46.262 16.993 1.00 29.45 N ATOM 274 CA ASN A 18 -0.017 45.407 16.655 1.00 29.03 C ATOM 275 C ASN A 18 -0.359 44.458 15.510 1.00 28.24 C ATOM 276 O ASN A 18 0.311 44.460 14.477 1.00 28.03 O ATOM 277 CB ASN A 18 0.429 44.609 17.883 1.00 29.10 C ATOM 278 CG ASN A 18 1.344 43.451 17.527 1.00 28.93 C ATOM 279 OD1 ASN A 18 0.970 42.287 17.656 1.00 28.81 O ATOM 280 ND2 ASN A 18 2.546 43.761 17.071 1.00 29.02 N ATOM 0 H ASN A 18 -1.710 45.926 17.773 1.00 29.45 H new ATOM 0 HA ASN A 18 0.801 46.049 16.327 1.00 29.03 H new ATOM 0 HB2 ASN A 18 0.944 45.274 18.576 1.00 29.10 H new ATOM 0 HB3 ASN A 18 -0.450 44.226 18.402 1.00 29.10 H new ATOM 0 HD21 ASN A 18 3.199 43.022 16.812 1.00 29.02 H new ATOM 0 HD22 ASN A 18 2.820 44.739 16.978 1.00 29.02 H new ATOM 287 N ARG A 19 -1.375 43.626 15.709 1.00 27.89 N ATOM 288 CA ARG A 19 -1.763 42.649 14.699 1.00 27.19 C ATOM 289 C ARG A 19 -2.537 43.320 13.570 1.00 26.47 C ATOM 290 O ARG A 19 -3.280 44.276 13.795 1.00 26.25 O ATOM 291 CB ARG A 19 -2.606 41.531 15.322 1.00 27.23 C ATOM 292 CG ARG A 19 -1.988 40.148 15.181 1.00 27.00 C ATOM 293 CD ARG A 19 -2.976 39.146 14.602 1.00 27.20 C ATOM 294 NE ARG A 19 -2.380 38.347 13.526 1.00 27.45 N ATOM 295 CZ ARG A 19 -2.375 37.013 13.502 1.00 27.94 C ATOM 296 NH1 ARG A 19 -2.957 36.317 14.469 1.00 28.23 N ATOM 297 NH2 ARG A 19 -1.801 36.364 12.496 1.00 28.23 N ATOM 0 H ARG A 19 -1.942 43.608 16.556 1.00 27.89 H new ATOM 0 HA ARG A 19 -0.854 42.212 14.287 1.00 27.19 H new ATOM 0 HB2 ARG A 19 -2.755 41.747 16.380 1.00 27.23 H new ATOM 0 HB3 ARG A 19 -3.591 41.528 14.856 1.00 27.23 H new ATOM 0 HG2 ARG A 19 -1.110 40.206 14.538 1.00 27.00 H new ATOM 0 HG3 ARG A 19 -1.647 39.801 16.156 1.00 27.00 H new ATOM 0 HD2 ARG A 19 -3.327 38.484 15.394 1.00 27.20 H new ATOM 0 HD3 ARG A 19 -3.848 39.676 14.220 1.00 27.20 H new ATOM 0 HE ARG A 19 -1.943 38.841 12.748 1.00 27.45 H new ATOM 0 HH11 ARG A 19 -3.415 36.801 15.241 1.00 28.23 H new ATOM 0 HH12 ARG A 19 -2.947 35.297 14.440 1.00 28.23 H new ATOM 0 HH21 ARG A 19 -1.361 36.885 11.737 1.00 28.23 H new ATOM 0 HH22 ARG A 19 -1.800 35.344 12.482 1.00 28.23 H new ATOM 311 N ASP A 20 -2.356 42.821 12.358 1.00 26.17 N ATOM 312 CA ASP A 20 -3.049 43.366 11.197 1.00 25.54 C ATOM 313 C ASP A 20 -4.016 42.335 10.630 1.00 24.65 C ATOM 314 O ASP A 20 -4.619 42.537 9.573 1.00 24.53 O ATOM 315 CB ASP A 20 -2.041 43.820 10.132 1.00 26.03 C ATOM 316 CG ASP A 20 -1.599 42.701 9.208 1.00 25.70 C ATOM 317 OD1 ASP A 20 -1.029 41.706 9.707 1.00 25.72 O ATOM 318 OD2 ASP A 20 -1.838 42.802 7.987 1.00 25.48 O ATOM 0 H ASP A 20 -1.735 42.039 12.150 1.00 26.17 H new ATOM 0 HA ASP A 20 -3.623 44.238 11.509 1.00 25.54 H new ATOM 0 HB2 ASP A 20 -2.486 44.618 9.538 1.00 26.03 H new ATOM 0 HB3 ASP A 20 -1.165 44.241 10.626 1.00 26.03 H new ATOM 323 N LEU A 21 -4.198 41.261 11.393 1.00 24.13 N ATOM 324 CA LEU A 21 -5.121 40.179 11.054 1.00 23.35 C ATOM 325 C LEU A 21 -4.662 39.423 9.811 1.00 22.33 C ATOM 326 O LEU A 21 -5.450 38.739 9.155 1.00 21.99 O ATOM 327 CB LEU A 21 -6.551 40.705 10.867 1.00 23.63 C ATOM 328 CG LEU A 21 -7.654 39.677 11.130 1.00 23.70 C ATOM 329 CD1 LEU A 21 -7.991 39.622 12.612 1.00 24.80 C ATOM 330 CD2 LEU A 21 -8.892 40.001 10.309 1.00 23.44 C ATOM 0 H LEU A 21 -3.704 41.115 12.273 1.00 24.13 H new ATOM 0 HA LEU A 21 -5.122 39.481 11.891 1.00 23.35 H new ATOM 0 HB2 LEU A 21 -6.700 41.555 11.533 1.00 23.63 H new ATOM 0 HB3 LEU A 21 -6.656 41.076 9.848 1.00 23.63 H new ATOM 0 HG LEU A 21 -7.290 38.696 10.826 1.00 23.70 H new ATOM 0 HD11 LEU A 21 -8.777 38.886 12.779 1.00 24.80 H new ATOM 0 HD12 LEU A 21 -7.103 39.339 13.177 1.00 24.80 H new ATOM 0 HD13 LEU A 21 -8.335 40.602 12.943 1.00 24.80 H new ATOM 0 HD21 LEU A 21 -9.666 39.260 10.509 1.00 23.44 H new ATOM 0 HD22 LEU A 21 -9.259 40.991 10.580 1.00 23.44 H new ATOM 0 HD23 LEU A 21 -8.640 39.985 9.249 1.00 23.44 H new ATOM 342 N GLU A 22 -3.364 39.454 9.560 1.00 21.92 N ATOM 343 CA GLU A 22 -2.782 38.670 8.488 1.00 21.00 C ATOM 344 C GLU A 22 -2.308 37.340 9.047 1.00 20.38 C ATOM 345 O GLU A 22 -1.506 37.302 9.981 1.00 20.63 O ATOM 346 CB GLU A 22 -1.622 39.420 7.839 1.00 21.11 C ATOM 347 CG GLU A 22 -1.261 38.913 6.458 1.00 21.38 C ATOM 348 CD GLU A 22 -0.093 37.959 6.484 1.00 21.67 C ATOM 349 OE1 GLU A 22 0.865 38.211 7.243 1.00 21.81 O ATOM 350 OE2 GLU A 22 -0.132 36.947 5.748 1.00 21.86 O ATOM 0 H GLU A 22 -2.694 40.015 10.086 1.00 21.92 H new ATOM 0 HA GLU A 22 -3.536 38.494 7.721 1.00 21.00 H new ATOM 0 HB2 GLU A 22 -1.878 40.477 7.772 1.00 21.11 H new ATOM 0 HB3 GLU A 22 -0.747 39.344 8.484 1.00 21.11 H new ATOM 0 HG2 GLU A 22 -2.125 38.414 6.020 1.00 21.38 H new ATOM 0 HG3 GLU A 22 -1.021 39.759 5.814 1.00 21.38 H new ATOM 357 N ARG A 23 -2.883 36.262 8.548 1.00 19.67 N ATOM 358 CA ARG A 23 -2.584 34.935 9.056 1.00 19.08 C ATOM 359 C ARG A 23 -2.241 33.995 7.911 1.00 18.24 C ATOM 360 O ARG A 23 -2.993 33.883 6.941 1.00 17.96 O ATOM 361 CB ARG A 23 -3.771 34.384 9.851 1.00 19.09 C ATOM 362 CG ARG A 23 -4.986 35.304 9.871 1.00 19.33 C ATOM 363 CD ARG A 23 -5.968 34.914 10.962 1.00 19.75 C ATOM 364 NE ARG A 23 -6.209 33.474 10.982 1.00 20.13 N ATOM 365 CZ ARG A 23 -6.216 32.734 12.087 1.00 20.90 C ATOM 366 NH1 ARG A 23 -6.105 33.303 13.282 1.00 21.36 N ATOM 367 NH2 ARG A 23 -6.368 31.420 11.988 1.00 21.30 N ATOM 0 H ARG A 23 -3.563 36.279 7.788 1.00 19.67 H new ATOM 0 HA ARG A 23 -1.723 35.008 9.721 1.00 19.08 H new ATOM 0 HB2 ARG A 23 -4.063 33.423 9.428 1.00 19.09 H new ATOM 0 HB3 ARG A 23 -3.453 34.198 10.877 1.00 19.09 H new ATOM 0 HG2 ARG A 23 -4.661 36.333 10.025 1.00 19.33 H new ATOM 0 HG3 ARG A 23 -5.485 35.269 8.903 1.00 19.33 H new ATOM 0 HD2 ARG A 23 -5.581 35.232 11.930 1.00 19.75 H new ATOM 0 HD3 ARG A 23 -6.911 35.439 10.808 1.00 19.75 H new ATOM 0 HE ARG A 23 -6.383 33.006 10.092 1.00 20.13 H new ATOM 0 HH11 ARG A 23 -6.013 34.316 13.358 1.00 21.36 H new ATOM 0 HH12 ARG A 23 -6.111 32.727 14.124 1.00 21.36 H new ATOM 0 HH21 ARG A 23 -6.478 30.987 11.071 1.00 21.30 H new ATOM 0 HH22 ARG A 23 -6.375 30.843 12.829 1.00 21.30 H new ATOM 381 N VAL A 24 -1.093 33.348 8.015 1.00 17.96 N ATOM 382 CA VAL A 24 -0.632 32.431 6.982 1.00 17.23 C ATOM 383 C VAL A 24 -1.276 31.060 7.148 1.00 16.44 C ATOM 384 O VAL A 24 -1.103 30.396 8.175 1.00 16.45 O ATOM 385 CB VAL A 24 0.904 32.277 6.999 1.00 17.51 C ATOM 386 CG1 VAL A 24 1.372 31.385 5.860 1.00 16.96 C ATOM 387 CG2 VAL A 24 1.578 33.638 6.921 1.00 18.40 C ATOM 0 H VAL A 24 -0.459 33.440 8.808 1.00 17.96 H new ATOM 0 HA VAL A 24 -0.927 32.858 6.024 1.00 17.23 H new ATOM 0 HB VAL A 24 1.187 31.804 7.939 1.00 17.51 H new ATOM 0 HG11 VAL A 24 2.458 31.292 5.893 1.00 16.96 H new ATOM 0 HG12 VAL A 24 0.920 30.398 5.961 1.00 16.96 H new ATOM 0 HG13 VAL A 24 1.075 31.824 4.908 1.00 16.96 H new ATOM 0 HG21 VAL A 24 2.660 33.509 6.934 1.00 18.40 H new ATOM 0 HG22 VAL A 24 1.283 34.138 5.998 1.00 18.40 H new ATOM 0 HG23 VAL A 24 1.274 34.244 7.775 1.00 18.40 H new ATOM 397 N VAL A 25 -1.999 30.634 6.126 1.00 15.87 N ATOM 398 CA VAL A 25 -2.646 29.332 6.140 1.00 15.18 C ATOM 399 C VAL A 25 -1.673 28.243 5.703 1.00 14.49 C ATOM 400 O VAL A 25 -0.740 28.499 4.937 1.00 14.22 O ATOM 401 CB VAL A 25 -3.894 29.299 5.233 1.00 15.12 C ATOM 402 CG1 VAL A 25 -4.936 30.293 5.719 1.00 15.22 C ATOM 403 CG2 VAL A 25 -3.522 29.574 3.785 1.00 15.32 C ATOM 0 H VAL A 25 -2.153 31.172 5.273 1.00 15.87 H new ATOM 0 HA VAL A 25 -2.965 29.147 7.166 1.00 15.18 H new ATOM 0 HB VAL A 25 -4.324 28.299 5.286 1.00 15.12 H new ATOM 0 HG11 VAL A 25 -5.808 30.254 5.066 1.00 15.22 H new ATOM 0 HG12 VAL A 25 -5.233 30.040 6.737 1.00 15.22 H new ATOM 0 HG13 VAL A 25 -4.515 31.298 5.703 1.00 15.22 H new ATOM 0 HG21 VAL A 25 -4.419 29.545 3.167 1.00 15.32 H new ATOM 0 HG22 VAL A 25 -3.060 30.558 3.709 1.00 15.32 H new ATOM 0 HG23 VAL A 25 -2.819 28.816 3.440 1.00 15.32 H new ATOM 413 N THR A 26 -1.866 27.045 6.225 1.00 14.33 N ATOM 414 CA THR A 26 -0.987 25.931 5.923 1.00 13.78 C ATOM 415 C THR A 26 -1.563 25.070 4.800 1.00 13.06 C ATOM 416 O THR A 26 -2.650 24.500 4.935 1.00 13.24 O ATOM 417 CB THR A 26 -0.751 25.068 7.177 1.00 14.30 C ATOM 418 OG1 THR A 26 -1.349 25.701 8.321 1.00 15.24 O ATOM 419 CG2 THR A 26 0.735 24.865 7.428 1.00 14.19 C ATOM 0 H THR A 26 -2.628 26.819 6.864 1.00 14.33 H new ATOM 0 HA THR A 26 -0.032 26.341 5.593 1.00 13.78 H new ATOM 0 HB THR A 26 -1.210 24.093 7.012 1.00 14.30 H new ATOM 0 HG1 THR A 26 -1.199 25.149 9.116 1.00 15.24 H new ATOM 0 HG21 THR A 26 0.873 24.252 8.319 1.00 14.19 H new ATOM 0 HG22 THR A 26 1.184 24.364 6.570 1.00 14.19 H new ATOM 0 HG23 THR A 26 1.215 25.833 7.575 1.00 14.19 H new ATOM 427 N ALA A 27 -0.854 25.028 3.677 1.00 12.38 N ATOM 428 CA ALA A 27 -1.298 24.277 2.509 1.00 11.72 C ATOM 429 C ALA A 27 -1.251 22.774 2.775 1.00 10.95 C ATOM 430 O ALA A 27 -0.211 22.232 3.156 1.00 10.49 O ATOM 431 CB ALA A 27 -0.446 24.627 1.300 1.00 11.52 C ATOM 0 H ALA A 27 0.037 25.509 3.551 1.00 12.38 H new ATOM 0 HA ALA A 27 -2.332 24.553 2.301 1.00 11.72 H new ATOM 0 HB1 ALA A 27 -0.790 24.058 0.436 1.00 11.52 H new ATOM 0 HB2 ALA A 27 -0.532 25.693 1.090 1.00 11.52 H new ATOM 0 HB3 ALA A 27 0.596 24.381 1.505 1.00 11.52 H new ATOM 437 N PRO A 28 -2.392 22.091 2.618 1.00 10.96 N ATOM 438 CA PRO A 28 -2.505 20.654 2.860 1.00 10.40 C ATOM 439 C PRO A 28 -1.970 19.831 1.695 1.00 9.29 C ATOM 440 O PRO A 28 -1.565 20.382 0.668 1.00 9.03 O ATOM 441 CB PRO A 28 -4.016 20.425 3.017 1.00 11.01 C ATOM 442 CG PRO A 28 -4.656 21.776 2.923 1.00 11.79 C ATOM 443 CD PRO A 28 -3.676 22.663 2.218 1.00 11.72 C ATOM 0 HA PRO A 28 -1.923 20.346 3.728 1.00 10.40 H new ATOM 0 HB2 PRO A 28 -4.392 19.761 2.238 1.00 11.01 H new ATOM 0 HB3 PRO A 28 -4.241 19.954 3.974 1.00 11.01 H new ATOM 0 HG2 PRO A 28 -5.596 21.723 2.374 1.00 11.79 H new ATOM 0 HG3 PRO A 28 -4.888 22.165 3.914 1.00 11.79 H new ATOM 0 HD2 PRO A 28 -3.812 22.640 1.137 1.00 11.72 H new ATOM 0 HD3 PRO A 28 -3.772 23.703 2.529 1.00 11.72 H new ATOM 451 N VAL A 29 -2.006 18.512 1.843 1.00 8.79 N ATOM 452 CA VAL A 29 -1.563 17.608 0.789 1.00 7.84 C ATOM 453 C VAL A 29 -2.551 17.631 -0.374 1.00 7.19 C ATOM 454 O VAL A 29 -3.690 17.183 -0.241 1.00 7.22 O ATOM 455 CB VAL A 29 -1.415 16.162 1.310 1.00 7.91 C ATOM 456 CG1 VAL A 29 -0.843 15.254 0.229 1.00 7.97 C ATOM 457 CG2 VAL A 29 -0.540 16.126 2.553 1.00 8.51 C ATOM 0 H VAL A 29 -2.339 18.044 2.686 1.00 8.79 H new ATOM 0 HA VAL A 29 -0.586 17.952 0.448 1.00 7.84 H new ATOM 0 HB VAL A 29 -2.406 15.795 1.576 1.00 7.91 H new ATOM 0 HG11 VAL A 29 -0.747 14.240 0.618 1.00 7.97 H new ATOM 0 HG12 VAL A 29 -1.510 15.250 -0.633 1.00 7.97 H new ATOM 0 HG13 VAL A 29 0.138 15.621 -0.073 1.00 7.97 H new ATOM 0 HG21 VAL A 29 -0.449 15.098 2.904 1.00 8.51 H new ATOM 0 HG22 VAL A 29 0.449 16.517 2.313 1.00 8.51 H new ATOM 0 HG23 VAL A 29 -0.992 16.737 3.334 1.00 8.51 H new ATOM 467 N SER A 30 -2.134 18.219 -1.487 1.00 6.88 N ATOM 468 CA SER A 30 -2.991 18.346 -2.660 1.00 6.51 C ATOM 469 C SER A 30 -2.146 18.413 -3.930 1.00 5.49 C ATOM 470 O SER A 30 -0.917 18.348 -3.865 1.00 5.34 O ATOM 471 CB SER A 30 -3.868 19.601 -2.547 1.00 7.14 C ATOM 472 OG SER A 30 -3.753 20.202 -1.265 1.00 8.11 O ATOM 0 H SER A 30 -1.202 18.618 -1.603 1.00 6.88 H new ATOM 0 HA SER A 30 -3.636 17.469 -2.712 1.00 6.51 H new ATOM 0 HB2 SER A 30 -3.578 20.319 -3.314 1.00 7.14 H new ATOM 0 HB3 SER A 30 -4.909 19.337 -2.734 1.00 7.14 H new ATOM 0 HG SER A 30 -4.322 20.999 -1.225 1.00 8.11 H new ATOM 478 N SER A 31 -2.816 18.554 -5.075 1.00 5.13 N ATOM 479 CA SER A 31 -2.153 18.666 -6.372 1.00 4.45 C ATOM 480 C SER A 31 -1.386 17.394 -6.720 1.00 3.89 C ATOM 481 O SER A 31 -0.307 17.446 -7.315 1.00 4.19 O ATOM 482 CB SER A 31 -1.214 19.878 -6.396 1.00 4.99 C ATOM 483 OG SER A 31 -1.814 20.997 -5.758 1.00 5.80 O ATOM 0 H SER A 31 -3.834 18.594 -5.128 1.00 5.13 H new ATOM 0 HA SER A 31 -2.927 18.807 -7.126 1.00 4.45 H new ATOM 0 HB2 SER A 31 -0.278 19.628 -5.896 1.00 4.99 H new ATOM 0 HB3 SER A 31 -0.967 20.131 -7.427 1.00 4.99 H new ATOM 0 HG SER A 31 -1.197 21.758 -5.784 1.00 5.80 H new ATOM 489 N GLY A 32 -1.983 16.252 -6.397 1.00 3.41 N ATOM 490 CA GLY A 32 -1.375 14.975 -6.721 1.00 3.15 C ATOM 491 C GLY A 32 -0.044 14.774 -6.029 1.00 2.12 C ATOM 492 O GLY A 32 0.953 14.439 -6.670 1.00 2.44 O ATOM 0 H GLY A 32 -2.880 16.188 -5.915 1.00 3.41 H new ATOM 0 HA2 GLY A 32 -2.054 14.171 -6.437 1.00 3.15 H new ATOM 0 HA3 GLY A 32 -1.234 14.907 -7.800 1.00 3.15 H new ATOM 496 N LYS A 33 -0.027 14.969 -4.719 1.00 1.50 N ATOM 497 CA LYS A 33 1.192 14.816 -3.936 1.00 0.87 C ATOM 498 C LYS A 33 1.390 13.361 -3.524 1.00 0.73 C ATOM 499 O LYS A 33 2.338 13.025 -2.813 1.00 0.87 O ATOM 500 CB LYS A 33 1.145 15.715 -2.701 1.00 1.50 C ATOM 501 CG LYS A 33 2.418 16.514 -2.489 1.00 2.21 C ATOM 502 CD LYS A 33 2.538 17.002 -1.057 1.00 3.19 C ATOM 503 CE LYS A 33 3.620 16.250 -0.300 1.00 4.16 C ATOM 504 NZ LYS A 33 4.078 17.000 0.898 1.00 4.98 N ATOM 0 H LYS A 33 -0.847 15.235 -4.173 1.00 1.50 H new ATOM 0 HA LYS A 33 2.037 15.115 -4.556 1.00 0.87 H new ATOM 0 HB2 LYS A 33 0.304 16.403 -2.793 1.00 1.50 H new ATOM 0 HB3 LYS A 33 0.959 15.100 -1.820 1.00 1.50 H new ATOM 0 HG2 LYS A 33 3.281 15.897 -2.737 1.00 2.21 H new ATOM 0 HG3 LYS A 33 2.430 17.367 -3.167 1.00 2.21 H new ATOM 0 HD2 LYS A 33 2.764 18.068 -1.053 1.00 3.19 H new ATOM 0 HD3 LYS A 33 1.582 16.877 -0.548 1.00 3.19 H new ATOM 0 HE2 LYS A 33 3.240 15.275 0.005 1.00 4.16 H new ATOM 0 HE3 LYS A 33 4.467 16.069 -0.961 1.00 4.16 H new ATOM 0 HZ1 LYS A 33 4.816 16.455 1.388 1.00 4.98 H new ATOM 0 HZ2 LYS A 33 4.464 17.920 0.605 1.00 4.98 H new ATOM 0 HZ3 LYS A 33 3.275 17.151 1.541 1.00 4.98 H new ATOM 518 N ILE A 34 0.510 12.499 -4.012 1.00 0.64 N ATOM 519 CA ILE A 34 0.612 11.072 -3.768 1.00 0.59 C ATOM 520 C ILE A 34 0.825 10.338 -5.085 1.00 0.52 C ATOM 521 O ILE A 34 0.104 10.561 -6.060 1.00 0.59 O ATOM 522 CB ILE A 34 -0.648 10.512 -3.076 1.00 0.65 C ATOM 523 CG1 ILE A 34 -1.277 11.567 -2.160 1.00 1.10 C ATOM 524 CG2 ILE A 34 -0.306 9.249 -2.294 1.00 1.06 C ATOM 525 CD1 ILE A 34 -2.667 11.202 -1.684 1.00 1.67 C ATOM 0 H ILE A 34 -0.290 12.769 -4.585 1.00 0.64 H new ATOM 0 HA ILE A 34 1.462 10.915 -3.103 1.00 0.59 H new ATOM 0 HB ILE A 34 -1.378 10.254 -3.843 1.00 0.65 H new ATOM 0 HG12 ILE A 34 -0.632 11.715 -1.294 1.00 1.10 H new ATOM 0 HG13 ILE A 34 -1.321 12.518 -2.691 1.00 1.10 H new ATOM 0 HG21 ILE A 34 -1.205 8.865 -1.811 1.00 1.06 H new ATOM 0 HG22 ILE A 34 0.090 8.496 -2.975 1.00 1.06 H new ATOM 0 HG23 ILE A 34 0.442 9.482 -1.536 1.00 1.06 H new ATOM 0 HD11 ILE A 34 -3.051 11.994 -1.040 1.00 1.67 H new ATOM 0 HD12 ILE A 34 -3.326 11.082 -2.544 1.00 1.67 H new ATOM 0 HD13 ILE A 34 -2.626 10.267 -1.125 1.00 1.67 H new ATOM 537 N LYS A 35 1.864 9.529 -5.121 1.00 0.50 N ATOM 538 CA LYS A 35 2.244 8.802 -6.315 1.00 0.49 C ATOM 539 C LYS A 35 2.051 7.308 -6.099 1.00 0.44 C ATOM 540 O LYS A 35 1.869 6.863 -4.968 1.00 0.47 O ATOM 541 CB LYS A 35 3.698 9.119 -6.654 1.00 0.59 C ATOM 542 CG LYS A 35 3.939 10.592 -6.951 1.00 0.92 C ATOM 543 CD LYS A 35 3.650 10.934 -8.406 1.00 1.10 C ATOM 544 CE LYS A 35 2.261 11.526 -8.575 1.00 1.08 C ATOM 545 NZ LYS A 35 2.295 13.011 -8.628 1.00 1.27 N ATOM 0 H LYS A 35 2.471 9.357 -4.320 1.00 0.50 H new ATOM 0 HA LYS A 35 1.612 9.107 -7.149 1.00 0.49 H new ATOM 0 HB2 LYS A 35 4.333 8.815 -5.822 1.00 0.59 H new ATOM 0 HB3 LYS A 35 4.000 8.527 -7.518 1.00 0.59 H new ATOM 0 HG2 LYS A 35 3.308 11.201 -6.303 1.00 0.92 H new ATOM 0 HG3 LYS A 35 4.973 10.845 -6.718 1.00 0.92 H new ATOM 0 HD2 LYS A 35 4.395 11.642 -8.769 1.00 1.10 H new ATOM 0 HD3 LYS A 35 3.740 10.036 -9.017 1.00 1.10 H new ATOM 0 HE2 LYS A 35 1.811 11.140 -9.490 1.00 1.08 H new ATOM 0 HE3 LYS A 35 1.627 11.207 -7.748 1.00 1.08 H new ATOM 0 HZ1 LYS A 35 1.660 13.399 -7.902 1.00 1.27 H new ATOM 0 HZ2 LYS A 35 3.265 13.343 -8.453 1.00 1.27 H new ATOM 0 HZ3 LYS A 35 1.984 13.332 -9.567 1.00 1.27 H new ATOM 559 N ARG A 36 2.036 6.542 -7.179 1.00 0.52 N ATOM 560 CA ARG A 36 1.775 5.111 -7.087 1.00 0.53 C ATOM 561 C ARG A 36 2.875 4.298 -7.753 1.00 0.56 C ATOM 562 O ARG A 36 3.304 4.606 -8.869 1.00 0.76 O ATOM 563 CB ARG A 36 0.426 4.776 -7.730 1.00 0.64 C ATOM 564 CG ARG A 36 -0.569 4.133 -6.779 1.00 1.17 C ATOM 565 CD ARG A 36 -0.834 5.002 -5.558 1.00 1.51 C ATOM 566 NE ARG A 36 -1.510 6.252 -5.894 1.00 2.02 N ATOM 567 CZ ARG A 36 -2.421 6.829 -5.113 1.00 2.75 C ATOM 568 NH1 ARG A 36 -2.826 6.227 -4.002 1.00 2.99 N ATOM 569 NH2 ARG A 36 -2.942 8.001 -5.450 1.00 3.65 N ATOM 0 H ARG A 36 2.200 6.884 -8.126 1.00 0.52 H new ATOM 0 HA ARG A 36 1.751 4.848 -6.029 1.00 0.53 H new ATOM 0 HB2 ARG A 36 -0.010 5.690 -8.132 1.00 0.64 H new ATOM 0 HB3 ARG A 36 0.593 4.105 -8.573 1.00 0.64 H new ATOM 0 HG2 ARG A 36 -1.506 3.950 -7.304 1.00 1.17 H new ATOM 0 HG3 ARG A 36 -0.189 3.163 -6.458 1.00 1.17 H new ATOM 0 HD2 ARG A 36 -1.442 4.445 -4.845 1.00 1.51 H new ATOM 0 HD3 ARG A 36 0.111 5.226 -5.064 1.00 1.51 H new ATOM 0 HE ARG A 36 -1.271 6.708 -6.775 1.00 2.02 H new ATOM 0 HH11 ARG A 36 -2.439 5.319 -3.744 1.00 2.99 H new ATOM 0 HH12 ARG A 36 -3.524 6.672 -3.406 1.00 2.99 H new ATOM 0 HH21 ARG A 36 -2.645 8.463 -6.310 1.00 3.65 H new ATOM 0 HH22 ARG A 36 -3.640 8.441 -4.850 1.00 3.65 H new ATOM 583 N VAL A 37 3.284 3.227 -7.086 1.00 0.49 N ATOM 584 CA VAL A 37 4.287 2.313 -7.619 1.00 0.56 C ATOM 585 C VAL A 37 3.873 0.867 -7.344 1.00 0.53 C ATOM 586 O VAL A 37 3.560 0.507 -6.206 1.00 0.55 O ATOM 587 CB VAL A 37 5.684 2.576 -7.001 1.00 0.69 C ATOM 588 CG1 VAL A 37 6.688 1.527 -7.457 1.00 1.04 C ATOM 589 CG2 VAL A 37 6.182 3.971 -7.353 1.00 1.26 C ATOM 0 H VAL A 37 2.932 2.968 -6.164 1.00 0.49 H new ATOM 0 HA VAL A 37 4.352 2.483 -8.694 1.00 0.56 H new ATOM 0 HB VAL A 37 5.584 2.509 -5.918 1.00 0.69 H new ATOM 0 HG11 VAL A 37 7.660 1.735 -7.009 1.00 1.04 H new ATOM 0 HG12 VAL A 37 6.349 0.539 -7.146 1.00 1.04 H new ATOM 0 HG13 VAL A 37 6.776 1.555 -8.543 1.00 1.04 H new ATOM 0 HG21 VAL A 37 7.164 4.130 -6.907 1.00 1.26 H new ATOM 0 HG22 VAL A 37 6.255 4.069 -8.436 1.00 1.26 H new ATOM 0 HG23 VAL A 37 5.484 4.714 -6.968 1.00 1.26 H new ATOM 599 N ASN A 38 3.885 0.041 -8.381 1.00 0.55 N ATOM 600 CA ASN A 38 3.562 -1.371 -8.240 1.00 0.56 C ATOM 601 C ASN A 38 4.844 -2.182 -8.284 1.00 0.49 C ATOM 602 O ASN A 38 5.597 -2.110 -9.257 1.00 0.57 O ATOM 603 CB ASN A 38 2.613 -1.823 -9.351 1.00 0.74 C ATOM 604 CG ASN A 38 2.261 -3.297 -9.255 1.00 0.81 C ATOM 605 OD1 ASN A 38 2.779 -4.120 -10.007 1.00 1.53 O ATOM 606 ND2 ASN A 38 1.366 -3.638 -8.338 1.00 1.00 N ATOM 0 H ASN A 38 4.116 0.326 -9.333 1.00 0.55 H new ATOM 0 HA ASN A 38 3.062 -1.528 -7.284 1.00 0.56 H new ATOM 0 HB2 ASN A 38 1.699 -1.231 -9.306 1.00 0.74 H new ATOM 0 HB3 ASN A 38 3.073 -1.625 -10.319 1.00 0.74 H new ATOM 0 HD21 ASN A 38 1.085 -4.613 -8.238 1.00 1.00 H new ATOM 0 HD22 ASN A 38 0.959 -2.925 -7.733 1.00 1.00 H new ATOM 613 N VAL A 39 5.173 -2.797 -7.162 1.00 0.41 N ATOM 614 CA VAL A 39 6.456 -3.451 -7.005 1.00 0.44 C ATOM 615 C VAL A 39 6.339 -4.965 -7.091 1.00 0.42 C ATOM 616 O VAL A 39 5.324 -5.549 -6.707 1.00 0.48 O ATOM 617 CB VAL A 39 7.111 -3.087 -5.660 1.00 0.61 C ATOM 618 CG1 VAL A 39 8.624 -3.168 -5.773 1.00 1.24 C ATOM 619 CG2 VAL A 39 6.676 -1.703 -5.200 1.00 0.63 C ATOM 0 H VAL A 39 4.566 -2.856 -6.345 1.00 0.41 H new ATOM 0 HA VAL A 39 7.078 -3.095 -7.826 1.00 0.44 H new ATOM 0 HB VAL A 39 6.781 -3.806 -4.911 1.00 0.61 H new ATOM 0 HG11 VAL A 39 9.075 -2.908 -4.815 1.00 1.24 H new ATOM 0 HG12 VAL A 39 8.915 -4.182 -6.048 1.00 1.24 H new ATOM 0 HG13 VAL A 39 8.970 -2.472 -6.537 1.00 1.24 H new ATOM 0 HG21 VAL A 39 7.152 -1.470 -4.248 1.00 0.63 H new ATOM 0 HG22 VAL A 39 6.971 -0.963 -5.944 1.00 0.63 H new ATOM 0 HG23 VAL A 39 5.593 -1.684 -5.078 1.00 0.63 H new ATOM 629 N ASN A 40 7.444 -5.583 -7.478 1.00 0.46 N ATOM 630 CA ASN A 40 7.569 -7.030 -7.508 1.00 0.51 C ATOM 631 C ASN A 40 8.410 -7.476 -6.316 1.00 0.44 C ATOM 632 O ASN A 40 9.589 -7.128 -6.215 1.00 0.56 O ATOM 633 CB ASN A 40 8.237 -7.469 -8.813 1.00 0.67 C ATOM 634 CG ASN A 40 7.468 -8.552 -9.540 1.00 1.45 C ATOM 635 OD1 ASN A 40 6.347 -8.900 -9.167 1.00 2.02 O ATOM 636 ND2 ASN A 40 8.061 -9.083 -10.599 1.00 2.13 N ATOM 0 H ASN A 40 8.284 -5.091 -7.782 1.00 0.46 H new ATOM 0 HA ASN A 40 6.581 -7.487 -7.452 1.00 0.51 H new ATOM 0 HB2 ASN A 40 8.343 -6.605 -9.469 1.00 0.67 H new ATOM 0 HB3 ASN A 40 9.243 -7.829 -8.596 1.00 0.67 H new ATOM 0 HD21 ASN A 40 7.588 -9.808 -11.138 1.00 2.13 H new ATOM 0 HD22 ASN A 40 8.991 -8.767 -10.875 1.00 2.13 H new ATOM 643 N PHE A 41 7.776 -8.130 -5.360 1.00 0.40 N ATOM 644 CA PHE A 41 8.439 -8.489 -4.115 1.00 0.45 C ATOM 645 C PHE A 41 8.794 -9.965 -4.094 1.00 0.45 C ATOM 646 O PHE A 41 8.103 -10.787 -4.691 1.00 0.56 O ATOM 647 CB PHE A 41 7.529 -8.179 -2.924 1.00 0.62 C ATOM 648 CG PHE A 41 7.695 -6.797 -2.367 1.00 0.54 C ATOM 649 CD1 PHE A 41 7.407 -5.683 -3.138 1.00 1.14 C ATOM 650 CD2 PHE A 41 8.137 -6.611 -1.068 1.00 0.98 C ATOM 651 CE1 PHE A 41 7.547 -4.412 -2.620 1.00 1.16 C ATOM 652 CE2 PHE A 41 8.277 -5.339 -0.545 1.00 1.10 C ATOM 653 CZ PHE A 41 7.986 -4.237 -1.325 1.00 0.75 C ATOM 0 H PHE A 41 6.801 -8.425 -5.420 1.00 0.40 H new ATOM 0 HA PHE A 41 9.355 -7.902 -4.044 1.00 0.45 H new ATOM 0 HB2 PHE A 41 6.491 -8.313 -3.229 1.00 0.62 H new ATOM 0 HB3 PHE A 41 7.725 -8.903 -2.133 1.00 0.62 H new ATOM 0 HD1 PHE A 41 7.069 -5.811 -4.156 1.00 1.14 H new ATOM 0 HD2 PHE A 41 8.375 -7.469 -0.457 1.00 0.98 H new ATOM 0 HE1 PHE A 41 7.312 -3.552 -3.230 1.00 1.16 H new ATOM 0 HE2 PHE A 41 8.614 -5.207 0.473 1.00 1.10 H new ATOM 0 HZ PHE A 41 8.102 -3.242 -0.922 1.00 0.75 H new ATOM 663 N ASP A 42 9.801 -10.308 -3.308 1.00 0.45 N ATOM 664 CA ASP A 42 10.161 -11.704 -3.103 1.00 0.47 C ATOM 665 C ASP A 42 9.331 -12.283 -1.971 1.00 0.40 C ATOM 666 O ASP A 42 8.904 -11.552 -1.072 1.00 0.35 O ATOM 667 CB ASP A 42 11.649 -11.840 -2.765 1.00 0.62 C ATOM 668 CG ASP A 42 12.234 -13.161 -3.224 1.00 0.70 C ATOM 669 OD1 ASP A 42 12.103 -14.166 -2.491 1.00 1.38 O ATOM 670 OD2 ASP A 42 12.821 -13.204 -4.325 1.00 1.35 O ATOM 0 H ASP A 42 10.384 -9.641 -2.802 1.00 0.45 H new ATOM 0 HA ASP A 42 9.963 -12.250 -4.025 1.00 0.47 H new ATOM 0 HB2 ASP A 42 12.199 -11.022 -3.230 1.00 0.62 H new ATOM 0 HB3 ASP A 42 11.783 -11.742 -1.688 1.00 0.62 H new ATOM 675 N GLU A 43 9.141 -13.593 -1.987 1.00 0.46 N ATOM 676 CA GLU A 43 8.411 -14.276 -0.925 1.00 0.48 C ATOM 677 C GLU A 43 9.137 -14.095 0.398 1.00 0.40 C ATOM 678 O GLU A 43 8.525 -13.754 1.410 1.00 0.42 O ATOM 679 CB GLU A 43 8.266 -15.763 -1.244 1.00 0.65 C ATOM 680 CG GLU A 43 6.963 -16.364 -0.752 1.00 1.08 C ATOM 681 CD GLU A 43 7.157 -17.250 0.460 1.00 1.04 C ATOM 682 OE1 GLU A 43 8.296 -17.703 0.699 1.00 1.45 O ATOM 683 OE2 GLU A 43 6.169 -17.496 1.180 1.00 1.28 O ATOM 0 H GLU A 43 9.483 -14.208 -2.725 1.00 0.46 H new ATOM 0 HA GLU A 43 7.415 -13.841 -0.850 1.00 0.48 H new ATOM 0 HB2 GLU A 43 8.337 -15.904 -2.323 1.00 0.65 H new ATOM 0 HB3 GLU A 43 9.099 -16.305 -0.796 1.00 0.65 H new ATOM 0 HG2 GLU A 43 6.267 -15.562 -0.505 1.00 1.08 H new ATOM 0 HG3 GLU A 43 6.508 -16.945 -1.554 1.00 1.08 H new ATOM 690 N GLU A 44 10.459 -14.202 0.339 1.00 0.38 N ATOM 691 CA GLU A 44 11.312 -13.964 1.493 1.00 0.42 C ATOM 692 C GLU A 44 11.081 -12.573 2.056 1.00 0.37 C ATOM 693 O GLU A 44 10.950 -12.387 3.271 1.00 0.43 O ATOM 694 CB GLU A 44 12.774 -14.100 1.082 1.00 0.52 C ATOM 695 CG GLU A 44 13.630 -14.797 2.118 1.00 0.60 C ATOM 696 CD GLU A 44 14.891 -14.030 2.437 1.00 1.56 C ATOM 697 OE1 GLU A 44 14.797 -12.940 3.039 1.00 2.19 O ATOM 698 OE2 GLU A 44 15.986 -14.508 2.068 1.00 2.34 O ATOM 0 H GLU A 44 10.967 -14.456 -0.508 1.00 0.38 H new ATOM 0 HA GLU A 44 11.068 -14.699 2.260 1.00 0.42 H new ATOM 0 HB2 GLU A 44 12.830 -14.653 0.144 1.00 0.52 H new ATOM 0 HB3 GLU A 44 13.184 -13.108 0.892 1.00 0.52 H new ATOM 0 HG2 GLU A 44 13.051 -14.933 3.031 1.00 0.60 H new ATOM 0 HG3 GLU A 44 13.895 -15.791 1.757 1.00 0.60 H new ATOM 705 N LYS A 45 11.054 -11.598 1.161 1.00 0.32 N ATOM 706 CA LYS A 45 10.887 -10.210 1.543 1.00 0.35 C ATOM 707 C LYS A 45 9.515 -9.970 2.153 1.00 0.30 C ATOM 708 O LYS A 45 9.370 -9.163 3.060 1.00 0.35 O ATOM 709 CB LYS A 45 11.082 -9.296 0.333 1.00 0.39 C ATOM 710 CG LYS A 45 12.466 -9.403 -0.289 1.00 0.56 C ATOM 711 CD LYS A 45 13.131 -8.045 -0.426 1.00 0.68 C ATOM 712 CE LYS A 45 14.563 -8.070 0.080 1.00 1.04 C ATOM 713 NZ LYS A 45 15.433 -8.937 -0.754 1.00 1.09 N ATOM 0 H LYS A 45 11.147 -11.748 0.156 1.00 0.32 H new ATOM 0 HA LYS A 45 11.643 -9.978 2.293 1.00 0.35 H new ATOM 0 HB2 LYS A 45 10.333 -9.539 -0.421 1.00 0.39 H new ATOM 0 HB3 LYS A 45 10.907 -8.263 0.635 1.00 0.39 H new ATOM 0 HG2 LYS A 45 13.090 -10.053 0.324 1.00 0.56 H new ATOM 0 HG3 LYS A 45 12.388 -9.870 -1.271 1.00 0.56 H new ATOM 0 HD2 LYS A 45 13.119 -7.737 -1.472 1.00 0.68 H new ATOM 0 HD3 LYS A 45 12.561 -7.302 0.131 1.00 0.68 H new ATOM 0 HE2 LYS A 45 14.962 -7.056 0.088 1.00 1.04 H new ATOM 0 HE3 LYS A 45 14.577 -8.426 1.110 1.00 1.04 H new ATOM 0 HZ1 LYS A 45 15.924 -9.623 -0.146 1.00 1.09 H new ATOM 0 HZ2 LYS A 45 14.851 -9.446 -1.450 1.00 1.09 H new ATOM 0 HZ3 LYS A 45 16.134 -8.351 -1.251 1.00 1.09 H new ATOM 727 N HIS A 46 8.502 -10.648 1.634 1.00 0.28 N ATOM 728 CA HIS A 46 7.143 -10.433 2.108 1.00 0.31 C ATOM 729 C HIS A 46 6.904 -11.095 3.462 1.00 0.32 C ATOM 730 O HIS A 46 6.201 -10.540 4.307 1.00 0.34 O ATOM 731 CB HIS A 46 6.108 -10.913 1.097 1.00 0.38 C ATOM 732 CG HIS A 46 4.861 -10.087 1.135 1.00 0.43 C ATOM 733 ND1 HIS A 46 3.704 -10.499 1.752 1.00 0.58 N ATOM 734 CD2 HIS A 46 4.619 -8.835 0.681 1.00 0.47 C ATOM 735 CE1 HIS A 46 2.804 -9.535 1.679 1.00 0.64 C ATOM 736 NE2 HIS A 46 3.336 -8.514 1.034 1.00 0.58 N ATOM 0 H HIS A 46 8.593 -11.344 0.893 1.00 0.28 H new ATOM 0 HA HIS A 46 7.025 -9.356 2.230 1.00 0.31 H new ATOM 0 HB2 HIS A 46 6.536 -10.877 0.095 1.00 0.38 H new ATOM 0 HB3 HIS A 46 5.859 -11.955 1.300 1.00 0.38 H new ATOM 0 HD2 HIS A 46 5.310 -8.206 0.140 1.00 0.47 H new ATOM 0 HE1 HIS A 46 1.802 -9.576 2.080 1.00 0.64 H new ATOM 0 HE2 HIS A 46 2.868 -7.631 0.832 1.00 0.58 H new ATOM 745 N THR A 47 7.511 -12.253 3.681 1.00 0.33 N ATOM 746 CA THR A 47 7.379 -12.943 4.959 1.00 0.40 C ATOM 747 C THR A 47 8.052 -12.142 6.074 1.00 0.39 C ATOM 748 O THR A 47 7.487 -11.965 7.156 1.00 0.43 O ATOM 749 CB THR A 47 7.979 -14.360 4.890 1.00 0.47 C ATOM 750 OG1 THR A 47 7.416 -15.060 3.776 1.00 0.72 O ATOM 751 CG2 THR A 47 7.713 -15.141 6.173 1.00 0.60 C ATOM 0 H THR A 47 8.096 -12.733 2.997 1.00 0.33 H new ATOM 0 HA THR A 47 6.316 -13.032 5.181 1.00 0.40 H new ATOM 0 HB THR A 47 9.058 -14.268 4.769 1.00 0.47 H new ATOM 0 HG1 THR A 47 7.773 -14.689 2.942 1.00 0.72 H new ATOM 0 HG21 THR A 47 8.150 -16.136 6.090 1.00 0.60 H new ATOM 0 HG22 THR A 47 8.161 -14.617 7.017 1.00 0.60 H new ATOM 0 HG23 THR A 47 6.638 -15.229 6.329 1.00 0.60 H new ATOM 759 N ARG A 48 9.215 -11.573 5.770 1.00 0.35 N ATOM 760 CA ARG A 48 9.914 -10.719 6.722 1.00 0.38 C ATOM 761 C ARG A 48 9.239 -9.359 6.818 1.00 0.34 C ATOM 762 O ARG A 48 9.356 -8.674 7.828 1.00 0.38 O ATOM 763 CB ARG A 48 11.374 -10.542 6.331 1.00 0.42 C ATOM 764 CG ARG A 48 12.344 -11.118 7.344 1.00 0.73 C ATOM 765 CD ARG A 48 13.581 -10.249 7.468 1.00 0.80 C ATOM 766 NE ARG A 48 14.789 -10.948 7.034 1.00 0.90 N ATOM 767 CZ ARG A 48 15.759 -11.338 7.859 1.00 1.43 C ATOM 768 NH1 ARG A 48 15.623 -11.183 9.171 1.00 1.83 N ATOM 769 NH2 ARG A 48 16.854 -11.906 7.369 1.00 1.87 N ATOM 0 H ARG A 48 9.691 -11.688 4.875 1.00 0.35 H new ATOM 0 HA ARG A 48 9.872 -11.207 7.696 1.00 0.38 H new ATOM 0 HB2 ARG A 48 11.544 -11.018 5.365 1.00 0.42 H new ATOM 0 HB3 ARG A 48 11.582 -9.480 6.204 1.00 0.42 H new ATOM 0 HG2 ARG A 48 11.855 -11.201 8.315 1.00 0.73 H new ATOM 0 HG3 ARG A 48 12.632 -12.126 7.045 1.00 0.73 H new ATOM 0 HD2 ARG A 48 13.451 -9.346 6.871 1.00 0.80 H new ATOM 0 HD3 ARG A 48 13.699 -9.932 8.504 1.00 0.80 H new ATOM 0 HE ARG A 48 14.895 -11.149 6.040 1.00 0.90 H new ATOM 0 HH11 ARG A 48 14.774 -10.764 9.550 1.00 1.83 H new ATOM 0 HH12 ARG A 48 16.368 -11.483 9.800 1.00 1.83 H new ATOM 0 HH21 ARG A 48 16.951 -12.043 6.363 1.00 1.87 H new ATOM 0 HH22 ARG A 48 17.598 -12.206 7.999 1.00 1.87 H new ATOM 783 N PHE A 49 8.506 -8.996 5.775 1.00 0.32 N ATOM 784 CA PHE A 49 7.766 -7.744 5.758 1.00 0.32 C ATOM 785 C PHE A 49 6.697 -7.760 6.834 1.00 0.36 C ATOM 786 O PHE A 49 6.693 -6.917 7.724 1.00 0.39 O ATOM 787 CB PHE A 49 7.117 -7.524 4.393 1.00 0.33 C ATOM 788 CG PHE A 49 7.486 -6.222 3.749 1.00 0.39 C ATOM 789 CD1 PHE A 49 8.764 -5.713 3.874 1.00 0.85 C ATOM 790 CD2 PHE A 49 6.552 -5.513 3.014 1.00 0.85 C ATOM 791 CE1 PHE A 49 9.108 -4.519 3.279 1.00 0.94 C ATOM 792 CE2 PHE A 49 6.891 -4.318 2.415 1.00 0.92 C ATOM 793 CZ PHE A 49 8.170 -3.820 2.547 1.00 0.67 C ATOM 0 H PHE A 49 8.408 -9.554 4.927 1.00 0.32 H new ATOM 0 HA PHE A 49 8.462 -6.928 5.952 1.00 0.32 H new ATOM 0 HB2 PHE A 49 7.403 -8.340 3.730 1.00 0.33 H new ATOM 0 HB3 PHE A 49 6.034 -7.569 4.505 1.00 0.33 H new ATOM 0 HD1 PHE A 49 9.502 -6.257 4.445 1.00 0.85 H new ATOM 0 HD2 PHE A 49 5.549 -5.899 2.909 1.00 0.85 H new ATOM 0 HE1 PHE A 49 10.110 -4.131 3.385 1.00 0.94 H new ATOM 0 HE2 PHE A 49 6.155 -3.773 1.843 1.00 0.92 H new ATOM 0 HZ PHE A 49 8.437 -2.884 2.078 1.00 0.67 H new ATOM 803 N LYS A 50 5.847 -8.779 6.788 1.00 0.39 N ATOM 804 CA LYS A 50 4.801 -8.951 7.787 1.00 0.45 C ATOM 805 C LYS A 50 5.412 -9.164 9.170 1.00 0.42 C ATOM 806 O LYS A 50 4.901 -8.670 10.174 1.00 0.42 O ATOM 807 CB LYS A 50 3.905 -10.136 7.420 1.00 0.54 C ATOM 808 CG LYS A 50 2.424 -9.864 7.629 1.00 0.93 C ATOM 809 CD LYS A 50 1.869 -10.660 8.799 1.00 1.47 C ATOM 810 CE LYS A 50 1.084 -11.872 8.325 1.00 1.37 C ATOM 811 NZ LYS A 50 1.649 -13.141 8.854 1.00 2.17 N ATOM 0 H LYS A 50 5.863 -9.500 6.067 1.00 0.39 H new ATOM 0 HA LYS A 50 4.195 -8.045 7.810 1.00 0.45 H new ATOM 0 HB2 LYS A 50 4.074 -10.399 6.376 1.00 0.54 H new ATOM 0 HB3 LYS A 50 4.196 -11.000 8.018 1.00 0.54 H new ATOM 0 HG2 LYS A 50 2.270 -8.800 7.807 1.00 0.93 H new ATOM 0 HG3 LYS A 50 1.875 -10.118 6.722 1.00 0.93 H new ATOM 0 HD2 LYS A 50 2.688 -10.984 9.441 1.00 1.47 H new ATOM 0 HD3 LYS A 50 1.224 -10.021 9.402 1.00 1.47 H new ATOM 0 HE2 LYS A 50 0.045 -11.778 8.641 1.00 1.37 H new ATOM 0 HE3 LYS A 50 1.084 -11.901 7.235 1.00 1.37 H new ATOM 0 HZ1 LYS A 50 1.085 -13.943 8.507 1.00 2.17 H new ATOM 0 HZ2 LYS A 50 2.632 -13.244 8.532 1.00 2.17 H new ATOM 0 HZ3 LYS A 50 1.625 -13.125 9.894 1.00 2.17 H new ATOM 825 N ALA A 51 6.543 -9.858 9.202 1.00 0.43 N ATOM 826 CA ALA A 51 7.250 -10.099 10.449 1.00 0.46 C ATOM 827 C ALA A 51 7.733 -8.791 11.061 1.00 0.44 C ATOM 828 O ALA A 51 7.366 -8.451 12.187 1.00 0.47 O ATOM 829 CB ALA A 51 8.427 -11.040 10.229 1.00 0.53 C ATOM 0 H ALA A 51 6.988 -10.263 8.378 1.00 0.43 H new ATOM 0 HA ALA A 51 6.553 -10.569 11.143 1.00 0.46 H new ATOM 0 HB1 ALA A 51 8.942 -11.206 11.175 1.00 0.53 H new ATOM 0 HB2 ALA A 51 8.064 -11.992 9.841 1.00 0.53 H new ATOM 0 HB3 ALA A 51 9.119 -10.596 9.513 1.00 0.53 H new ATOM 835 N ALA A 52 8.579 -8.078 10.327 1.00 0.46 N ATOM 836 CA ALA A 52 9.179 -6.846 10.823 1.00 0.53 C ATOM 837 C ALA A 52 8.148 -5.738 11.020 1.00 0.53 C ATOM 838 O ALA A 52 8.291 -4.915 11.923 1.00 0.65 O ATOM 839 CB ALA A 52 10.283 -6.385 9.888 1.00 0.58 C ATOM 0 H ALA A 52 8.866 -8.334 9.382 1.00 0.46 H new ATOM 0 HA ALA A 52 9.605 -7.064 11.802 1.00 0.53 H new ATOM 0 HB1 ALA A 52 10.723 -5.464 10.270 1.00 0.58 H new ATOM 0 HB2 ALA A 52 11.052 -7.155 9.825 1.00 0.58 H new ATOM 0 HB3 ALA A 52 9.868 -6.205 8.896 1.00 0.58 H new ATOM 845 N CYS A 53 7.101 -5.720 10.200 1.00 0.48 N ATOM 846 CA CYS A 53 6.064 -4.706 10.339 1.00 0.56 C ATOM 847 C CYS A 53 5.306 -4.906 11.647 1.00 0.49 C ATOM 848 O CYS A 53 4.980 -3.941 12.342 1.00 0.53 O ATOM 849 CB CYS A 53 5.106 -4.723 9.139 1.00 0.68 C ATOM 850 SG CYS A 53 3.783 -5.954 9.231 1.00 1.29 S ATOM 0 H CYS A 53 6.950 -6.387 9.443 1.00 0.48 H new ATOM 0 HA CYS A 53 6.542 -3.727 10.361 1.00 0.56 H new ATOM 0 HB2 CYS A 53 4.656 -3.735 9.039 1.00 0.68 H new ATOM 0 HB3 CYS A 53 5.686 -4.902 8.233 1.00 0.68 H new ATOM 0 HG CYS A 53 4.231 -7.031 9.806 1.00 1.29 H new ATOM 856 N ALA A 54 5.117 -6.168 12.027 1.00 0.45 N ATOM 857 CA ALA A 54 4.481 -6.500 13.295 1.00 0.52 C ATOM 858 C ALA A 54 5.435 -6.237 14.457 1.00 0.53 C ATOM 859 O ALA A 54 5.008 -5.917 15.566 1.00 0.63 O ATOM 860 CB ALA A 54 4.026 -7.953 13.295 1.00 0.63 C ATOM 0 H ALA A 54 5.397 -6.977 11.472 1.00 0.45 H new ATOM 0 HA ALA A 54 3.605 -5.864 13.420 1.00 0.52 H new ATOM 0 HB1 ALA A 54 3.553 -8.186 14.249 1.00 0.63 H new ATOM 0 HB2 ALA A 54 3.311 -8.110 12.487 1.00 0.63 H new ATOM 0 HB3 ALA A 54 4.888 -8.604 13.149 1.00 0.63 H new ATOM 866 N ARG A 55 6.730 -6.344 14.185 1.00 0.53 N ATOM 867 CA ARG A 55 7.753 -6.094 15.192 1.00 0.66 C ATOM 868 C ARG A 55 7.831 -4.609 15.518 1.00 0.65 C ATOM 869 O ARG A 55 7.856 -4.220 16.686 1.00 0.75 O ATOM 870 CB ARG A 55 9.121 -6.592 14.713 1.00 0.77 C ATOM 871 CG ARG A 55 9.190 -8.096 14.528 1.00 1.38 C ATOM 872 CD ARG A 55 10.529 -8.653 14.968 1.00 1.87 C ATOM 873 NE ARG A 55 11.158 -9.474 13.933 1.00 2.37 N ATOM 874 CZ ARG A 55 10.855 -10.753 13.701 1.00 2.79 C ATOM 875 NH1 ARG A 55 9.892 -11.355 14.392 1.00 2.91 N ATOM 876 NH2 ARG A 55 11.515 -11.424 12.766 1.00 3.58 N ATOM 0 H ARG A 55 7.098 -6.604 13.270 1.00 0.53 H new ATOM 0 HA ARG A 55 7.477 -6.641 16.094 1.00 0.66 H new ATOM 0 HB2 ARG A 55 9.364 -6.107 13.768 1.00 0.77 H new ATOM 0 HB3 ARG A 55 9.881 -6.288 15.432 1.00 0.77 H new ATOM 0 HG2 ARG A 55 8.393 -8.570 15.100 1.00 1.38 H new ATOM 0 HG3 ARG A 55 9.020 -8.342 13.480 1.00 1.38 H new ATOM 0 HD2 ARG A 55 11.194 -7.830 15.229 1.00 1.87 H new ATOM 0 HD3 ARG A 55 10.393 -9.251 15.869 1.00 1.87 H new ATOM 0 HE ARG A 55 11.875 -9.041 13.351 1.00 2.37 H new ATOM 0 HH11 ARG A 55 9.378 -10.839 15.106 1.00 2.91 H new ATOM 0 HH12 ARG A 55 9.667 -12.333 14.208 1.00 2.91 H new ATOM 0 HH21 ARG A 55 12.249 -10.962 12.229 1.00 3.58 H new ATOM 0 HH22 ARG A 55 11.288 -12.402 12.584 1.00 3.58 H new ATOM 890 N LYS A 56 7.866 -3.783 14.479 1.00 0.59 N ATOM 891 CA LYS A 56 7.958 -2.339 14.651 1.00 0.64 C ATOM 892 C LYS A 56 6.612 -1.747 15.049 1.00 0.54 C ATOM 893 O LYS A 56 6.545 -0.672 15.651 1.00 0.67 O ATOM 894 CB LYS A 56 8.454 -1.682 13.361 1.00 0.71 C ATOM 895 CG LYS A 56 9.832 -1.053 13.490 1.00 1.15 C ATOM 896 CD LYS A 56 10.522 -0.926 12.139 1.00 1.46 C ATOM 897 CE LYS A 56 11.873 -1.624 12.122 1.00 2.01 C ATOM 898 NZ LYS A 56 12.594 -1.499 13.417 1.00 2.32 N ATOM 0 H LYS A 56 7.832 -4.090 13.507 1.00 0.59 H new ATOM 0 HA LYS A 56 8.670 -2.141 15.452 1.00 0.64 H new ATOM 0 HB2 LYS A 56 8.478 -2.430 12.568 1.00 0.71 H new ATOM 0 HB3 LYS A 56 7.741 -0.916 13.056 1.00 0.71 H new ATOM 0 HG2 LYS A 56 9.741 -0.067 13.946 1.00 1.15 H new ATOM 0 HG3 LYS A 56 10.447 -1.657 14.157 1.00 1.15 H new ATOM 0 HD2 LYS A 56 9.884 -1.352 11.365 1.00 1.46 H new ATOM 0 HD3 LYS A 56 10.656 0.129 11.898 1.00 1.46 H new ATOM 0 HE2 LYS A 56 11.730 -2.679 11.889 1.00 2.01 H new ATOM 0 HE3 LYS A 56 12.486 -1.202 11.326 1.00 2.01 H new ATOM 0 HZ1 LYS A 56 13.619 -1.491 13.244 1.00 2.32 H new ATOM 0 HZ2 LYS A 56 12.315 -0.614 13.886 1.00 2.32 H new ATOM 0 HZ3 LYS A 56 12.352 -2.305 14.028 1.00 2.32 H new ATOM 912 N GLY A 57 5.543 -2.444 14.695 1.00 0.48 N ATOM 913 CA GLY A 57 4.212 -1.969 15.007 1.00 0.47 C ATOM 914 C GLY A 57 3.777 -0.857 14.079 1.00 0.51 C ATOM 915 O GLY A 57 3.438 0.240 14.523 1.00 0.58 O ATOM 0 H GLY A 57 5.574 -3.333 14.196 1.00 0.48 H new ATOM 0 HA2 GLY A 57 3.506 -2.796 14.938 1.00 0.47 H new ATOM 0 HA3 GLY A 57 4.186 -1.613 16.037 1.00 0.47 H new ATOM 919 N THR A 58 3.810 -1.129 12.788 1.00 0.59 N ATOM 920 CA THR A 58 3.434 -0.140 11.796 1.00 0.73 C ATOM 921 C THR A 58 2.791 -0.815 10.585 1.00 0.56 C ATOM 922 O THR A 58 2.935 -2.025 10.391 1.00 0.53 O ATOM 923 CB THR A 58 4.655 0.714 11.366 1.00 1.06 C ATOM 924 OG1 THR A 58 4.220 1.982 10.854 1.00 2.01 O ATOM 925 CG2 THR A 58 5.505 0.004 10.321 1.00 0.61 C ATOM 0 H THR A 58 4.094 -2.029 12.401 1.00 0.59 H new ATOM 0 HA THR A 58 2.702 0.530 12.247 1.00 0.73 H new ATOM 0 HB THR A 58 5.271 0.868 12.252 1.00 1.06 H new ATOM 0 HG1 THR A 58 4.691 2.175 10.016 1.00 2.01 H new ATOM 0 HG21 THR A 58 6.349 0.637 10.048 1.00 0.61 H new ATOM 0 HG22 THR A 58 5.874 -0.937 10.730 1.00 0.61 H new ATOM 0 HG23 THR A 58 4.901 -0.197 9.436 1.00 0.61 H new ATOM 933 N SER A 59 2.026 -0.046 9.825 1.00 0.55 N ATOM 934 CA SER A 59 1.327 -0.560 8.658 1.00 0.50 C ATOM 935 C SER A 59 2.318 -1.036 7.600 1.00 0.44 C ATOM 936 O SER A 59 3.370 -0.427 7.406 1.00 0.43 O ATOM 937 CB SER A 59 0.415 0.525 8.086 1.00 0.61 C ATOM 938 OG SER A 59 -0.036 1.395 9.113 1.00 0.72 O ATOM 0 H SER A 59 1.873 0.947 9.999 1.00 0.55 H new ATOM 0 HA SER A 59 0.721 -1.414 8.959 1.00 0.50 H new ATOM 0 HB2 SER A 59 0.952 1.096 7.329 1.00 0.61 H new ATOM 0 HB3 SER A 59 -0.440 0.065 7.591 1.00 0.61 H new ATOM 0 HG SER A 59 -0.617 2.083 8.727 1.00 0.72 H new ATOM 944 N ILE A 60 1.982 -2.135 6.933 1.00 0.46 N ATOM 945 CA ILE A 60 2.855 -2.716 5.917 1.00 0.50 C ATOM 946 C ILE A 60 3.094 -1.725 4.779 1.00 0.47 C ATOM 947 O ILE A 60 4.177 -1.685 4.191 1.00 0.50 O ATOM 948 CB ILE A 60 2.273 -4.042 5.363 1.00 0.61 C ATOM 949 CG1 ILE A 60 3.306 -4.757 4.487 1.00 0.99 C ATOM 950 CG2 ILE A 60 0.987 -3.800 4.584 1.00 1.01 C ATOM 951 CD1 ILE A 60 3.433 -6.233 4.787 1.00 0.96 C ATOM 0 H ILE A 60 1.109 -2.643 7.078 1.00 0.46 H new ATOM 0 HA ILE A 60 3.810 -2.940 6.392 1.00 0.50 H new ATOM 0 HB ILE A 60 2.033 -4.682 6.212 1.00 0.61 H new ATOM 0 HG12 ILE A 60 3.033 -4.629 3.440 1.00 0.99 H new ATOM 0 HG13 ILE A 60 4.277 -4.282 4.623 1.00 0.99 H new ATOM 0 HG21 ILE A 60 0.605 -4.749 4.209 1.00 1.01 H new ATOM 0 HG22 ILE A 60 0.245 -3.343 5.239 1.00 1.01 H new ATOM 0 HG23 ILE A 60 1.189 -3.134 3.745 1.00 1.01 H new ATOM 0 HD11 ILE A 60 4.182 -6.675 4.130 1.00 0.96 H new ATOM 0 HD12 ILE A 60 3.736 -6.368 5.825 1.00 0.96 H new ATOM 0 HD13 ILE A 60 2.473 -6.722 4.623 1.00 0.96 H new ATOM 963 N THR A 61 2.116 -0.864 4.541 1.00 0.45 N ATOM 964 CA THR A 61 2.226 0.170 3.534 1.00 0.45 C ATOM 965 C THR A 61 3.257 1.222 3.947 1.00 0.42 C ATOM 966 O THR A 61 4.059 1.685 3.129 1.00 0.41 O ATOM 967 CB THR A 61 0.859 0.836 3.313 1.00 0.51 C ATOM 968 OG1 THR A 61 -0.139 0.141 4.079 1.00 0.68 O ATOM 969 CG2 THR A 61 0.476 0.825 1.841 1.00 0.77 C ATOM 0 H THR A 61 1.227 -0.866 5.042 1.00 0.45 H new ATOM 0 HA THR A 61 2.556 -0.291 2.603 1.00 0.45 H new ATOM 0 HB THR A 61 0.922 1.874 3.640 1.00 0.51 H new ATOM 0 HG1 THR A 61 -1.012 0.565 3.941 1.00 0.68 H new ATOM 0 HG21 THR A 61 -0.496 1.303 1.714 1.00 0.77 H new ATOM 0 HG22 THR A 61 1.225 1.369 1.266 1.00 0.77 H new ATOM 0 HG23 THR A 61 0.423 -0.204 1.486 1.00 0.77 H new ATOM 977 N ASP A 62 3.288 1.523 5.243 1.00 0.42 N ATOM 978 CA ASP A 62 4.251 2.469 5.803 1.00 0.42 C ATOM 979 C ASP A 62 5.657 1.884 5.773 1.00 0.36 C ATOM 980 O ASP A 62 6.633 2.606 5.593 1.00 0.35 O ATOM 981 CB ASP A 62 3.864 2.829 7.242 1.00 0.47 C ATOM 982 CG ASP A 62 4.872 3.740 7.917 1.00 0.61 C ATOM 983 OD1 ASP A 62 5.060 4.881 7.441 1.00 0.92 O ATOM 984 OD2 ASP A 62 5.501 3.309 8.910 1.00 1.06 O ATOM 0 H ASP A 62 2.651 1.121 5.931 1.00 0.42 H new ATOM 0 HA ASP A 62 4.238 3.373 5.195 1.00 0.42 H new ATOM 0 HB2 ASP A 62 2.888 3.315 7.239 1.00 0.47 H new ATOM 0 HB3 ASP A 62 3.763 1.914 7.825 1.00 0.47 H new ATOM 989 N VAL A 63 5.745 0.565 5.895 1.00 0.34 N ATOM 990 CA VAL A 63 7.025 -0.131 5.827 1.00 0.32 C ATOM 991 C VAL A 63 7.703 0.124 4.487 1.00 0.31 C ATOM 992 O VAL A 63 8.874 0.501 4.440 1.00 0.35 O ATOM 993 CB VAL A 63 6.848 -1.650 6.031 1.00 0.36 C ATOM 994 CG1 VAL A 63 8.173 -2.373 5.882 1.00 0.68 C ATOM 995 CG2 VAL A 63 6.240 -1.936 7.392 1.00 0.66 C ATOM 0 H VAL A 63 4.942 -0.047 6.042 1.00 0.34 H new ATOM 0 HA VAL A 63 7.652 0.258 6.629 1.00 0.32 H new ATOM 0 HB VAL A 63 6.169 -2.019 5.262 1.00 0.36 H new ATOM 0 HG11 VAL A 63 8.023 -3.442 6.030 1.00 0.68 H new ATOM 0 HG12 VAL A 63 8.573 -2.198 4.883 1.00 0.68 H new ATOM 0 HG13 VAL A 63 8.877 -1.999 6.625 1.00 0.68 H new ATOM 0 HG21 VAL A 63 6.122 -3.012 7.519 1.00 0.66 H new ATOM 0 HG22 VAL A 63 6.895 -1.548 8.172 1.00 0.66 H new ATOM 0 HG23 VAL A 63 5.265 -1.453 7.464 1.00 0.66 H new ATOM 1005 N VAL A 64 6.939 -0.002 3.405 1.00 0.29 N ATOM 1006 CA VAL A 64 7.459 0.271 2.070 1.00 0.29 C ATOM 1007 C VAL A 64 7.861 1.734 1.946 1.00 0.31 C ATOM 1008 O VAL A 64 8.959 2.048 1.495 1.00 0.34 O ATOM 1009 CB VAL A 64 6.440 -0.062 0.963 1.00 0.31 C ATOM 1010 CG1 VAL A 64 7.151 -0.282 -0.365 1.00 0.33 C ATOM 1011 CG2 VAL A 64 5.605 -1.280 1.331 1.00 0.38 C ATOM 0 H VAL A 64 5.961 -0.291 3.427 1.00 0.29 H new ATOM 0 HA VAL A 64 8.329 -0.373 1.937 1.00 0.29 H new ATOM 0 HB VAL A 64 5.764 0.787 0.861 1.00 0.31 H new ATOM 0 HG11 VAL A 64 6.417 -0.516 -1.136 1.00 0.33 H new ATOM 0 HG12 VAL A 64 7.692 0.623 -0.642 1.00 0.33 H new ATOM 0 HG13 VAL A 64 7.853 -1.110 -0.269 1.00 0.33 H new ATOM 0 HG21 VAL A 64 4.895 -1.490 0.531 1.00 0.38 H new ATOM 0 HG22 VAL A 64 6.259 -2.141 1.471 1.00 0.38 H new ATOM 0 HG23 VAL A 64 5.062 -1.083 2.255 1.00 0.38 H new ATOM 1021 N ASN A 65 7.002 2.616 2.437 1.00 0.32 N ATOM 1022 CA ASN A 65 7.286 4.048 2.444 1.00 0.35 C ATOM 1023 C ASN A 65 8.584 4.341 3.199 1.00 0.38 C ATOM 1024 O ASN A 65 9.368 5.202 2.797 1.00 0.40 O ATOM 1025 CB ASN A 65 6.124 4.809 3.089 1.00 0.40 C ATOM 1026 CG ASN A 65 5.896 6.175 2.470 1.00 0.48 C ATOM 1027 OD1 ASN A 65 6.550 7.150 2.830 1.00 0.91 O ATOM 1028 ND2 ASN A 65 4.957 6.259 1.541 1.00 0.48 N ATOM 0 H ASN A 65 6.098 2.366 2.838 1.00 0.32 H new ATOM 0 HA ASN A 65 7.405 4.380 1.412 1.00 0.35 H new ATOM 0 HB2 ASN A 65 5.213 4.217 2.997 1.00 0.40 H new ATOM 0 HB3 ASN A 65 6.321 4.927 4.155 1.00 0.40 H new ATOM 0 HD21 ASN A 65 4.756 7.156 1.098 1.00 0.48 H new ATOM 0 HD22 ASN A 65 4.434 5.427 1.268 1.00 0.48 H new ATOM 1035 N GLN A 66 8.811 3.593 4.272 1.00 0.39 N ATOM 1036 CA GLN A 66 9.997 3.760 5.101 1.00 0.42 C ATOM 1037 C GLN A 66 11.271 3.381 4.352 1.00 0.40 C ATOM 1038 O GLN A 66 12.248 4.122 4.391 1.00 0.44 O ATOM 1039 CB GLN A 66 9.872 2.928 6.375 1.00 0.44 C ATOM 1040 CG GLN A 66 10.806 3.380 7.486 1.00 0.87 C ATOM 1041 CD GLN A 66 11.178 2.255 8.433 1.00 1.45 C ATOM 1042 OE1 GLN A 66 12.294 1.741 8.402 1.00 2.20 O ATOM 1043 NE2 GLN A 66 10.243 1.866 9.284 1.00 1.61 N ATOM 0 H GLN A 66 8.181 2.857 4.590 1.00 0.39 H new ATOM 0 HA GLN A 66 10.068 4.816 5.363 1.00 0.42 H new ATOM 0 HB2 GLN A 66 8.844 2.977 6.733 1.00 0.44 H new ATOM 0 HB3 GLN A 66 10.078 1.884 6.140 1.00 0.44 H new ATOM 0 HG2 GLN A 66 11.713 3.794 7.046 1.00 0.87 H new ATOM 0 HG3 GLN A 66 10.331 4.182 8.051 1.00 0.87 H new ATOM 0 HE21 GLN A 66 9.329 2.318 9.279 1.00 1.61 H new ATOM 0 HE22 GLN A 66 10.436 1.114 9.946 1.00 1.61 H new ATOM 1052 N LEU A 67 11.277 2.230 3.681 1.00 0.36 N ATOM 1053 CA LEU A 67 12.475 1.800 2.961 1.00 0.35 C ATOM 1054 C LEU A 67 12.760 2.719 1.782 1.00 0.31 C ATOM 1055 O LEU A 67 13.917 3.025 1.504 1.00 0.32 O ATOM 1056 CB LEU A 67 12.393 0.348 2.478 1.00 0.38 C ATOM 1057 CG LEU A 67 10.999 -0.204 2.219 1.00 0.63 C ATOM 1058 CD1 LEU A 67 10.782 -0.407 0.729 1.00 1.04 C ATOM 1059 CD2 LEU A 67 10.813 -1.509 2.967 1.00 1.01 C ATOM 0 H LEU A 67 10.485 1.591 3.621 1.00 0.36 H new ATOM 0 HA LEU A 67 13.295 1.859 3.676 1.00 0.35 H new ATOM 0 HB2 LEU A 67 12.970 0.262 1.558 1.00 0.38 H new ATOM 0 HB3 LEU A 67 12.879 -0.286 3.220 1.00 0.38 H new ATOM 0 HG LEU A 67 10.261 0.513 2.579 1.00 0.63 H new ATOM 0 HD11 LEU A 67 9.781 -0.802 0.558 1.00 1.04 H new ATOM 0 HD12 LEU A 67 10.889 0.547 0.212 1.00 1.04 H new ATOM 0 HD13 LEU A 67 11.521 -1.111 0.346 1.00 1.04 H new ATOM 0 HD21 LEU A 67 9.813 -1.898 2.777 1.00 1.01 H new ATOM 0 HD22 LEU A 67 11.554 -2.232 2.627 1.00 1.01 H new ATOM 0 HD23 LEU A 67 10.938 -1.337 4.036 1.00 1.01 H new ATOM 1071 N VAL A 68 11.705 3.222 1.142 1.00 0.29 N ATOM 1072 CA VAL A 68 11.874 4.183 0.058 1.00 0.28 C ATOM 1073 C VAL A 68 12.530 5.446 0.596 1.00 0.30 C ATOM 1074 O VAL A 68 13.555 5.890 0.085 1.00 0.32 O ATOM 1075 CB VAL A 68 10.531 4.559 -0.611 1.00 0.28 C ATOM 1076 CG1 VAL A 68 10.758 5.498 -1.785 1.00 0.81 C ATOM 1077 CG2 VAL A 68 9.786 3.320 -1.068 1.00 0.69 C ATOM 0 H VAL A 68 10.736 2.983 1.353 1.00 0.29 H new ATOM 0 HA VAL A 68 12.503 3.712 -0.697 1.00 0.28 H new ATOM 0 HB VAL A 68 9.921 5.072 0.132 1.00 0.28 H new ATOM 0 HG11 VAL A 68 9.800 5.749 -2.240 1.00 0.81 H new ATOM 0 HG12 VAL A 68 11.243 6.409 -1.434 1.00 0.81 H new ATOM 0 HG13 VAL A 68 11.394 5.010 -2.524 1.00 0.81 H new ATOM 0 HG21 VAL A 68 8.845 3.612 -1.535 1.00 0.69 H new ATOM 0 HG22 VAL A 68 10.395 2.775 -1.789 1.00 0.69 H new ATOM 0 HG23 VAL A 68 9.581 2.681 -0.209 1.00 0.69 H new ATOM 1087 N ASP A 69 11.993 5.937 1.704 1.00 0.33 N ATOM 1088 CA ASP A 69 12.552 7.093 2.401 1.00 0.39 C ATOM 1089 C ASP A 69 13.995 6.831 2.820 1.00 0.36 C ATOM 1090 O ASP A 69 14.870 7.681 2.654 1.00 0.37 O ATOM 1091 CB ASP A 69 11.705 7.409 3.637 1.00 0.50 C ATOM 1092 CG ASP A 69 12.054 8.738 4.276 1.00 0.74 C ATOM 1093 OD1 ASP A 69 11.619 9.788 3.759 1.00 1.11 O ATOM 1094 OD2 ASP A 69 12.795 8.741 5.281 1.00 1.33 O ATOM 0 H ASP A 69 11.160 5.549 2.146 1.00 0.33 H new ATOM 0 HA ASP A 69 12.540 7.944 1.720 1.00 0.39 H new ATOM 0 HB2 ASP A 69 10.652 7.414 3.356 1.00 0.50 H new ATOM 0 HB3 ASP A 69 11.836 6.615 4.372 1.00 0.50 H new ATOM 1099 N ASN A 70 14.222 5.656 3.385 1.00 0.35 N ATOM 1100 CA ASN A 70 15.531 5.276 3.896 1.00 0.37 C ATOM 1101 C ASN A 70 16.574 5.185 2.787 1.00 0.33 C ATOM 1102 O ASN A 70 17.579 5.895 2.821 1.00 0.40 O ATOM 1103 CB ASN A 70 15.439 3.940 4.634 1.00 0.44 C ATOM 1104 CG ASN A 70 16.575 3.746 5.618 1.00 0.89 C ATOM 1105 OD1 ASN A 70 16.833 4.603 6.465 1.00 0.95 O ATOM 1106 ND2 ASN A 70 17.256 2.617 5.518 1.00 1.69 N ATOM 0 H ASN A 70 13.506 4.939 3.503 1.00 0.35 H new ATOM 0 HA ASN A 70 15.851 6.056 4.587 1.00 0.37 H new ATOM 0 HB2 ASN A 70 14.489 3.886 5.165 1.00 0.44 H new ATOM 0 HB3 ASN A 70 15.446 3.126 3.909 1.00 0.44 H new ATOM 0 HD21 ASN A 70 18.028 2.429 6.157 1.00 1.69 H new ATOM 0 HD22 ASN A 70 17.009 1.934 4.802 1.00 1.69 H new ATOM 1113 N TRP A 71 16.337 4.316 1.804 1.00 0.30 N ATOM 1114 CA TRP A 71 17.283 4.127 0.704 1.00 0.36 C ATOM 1115 C TRP A 71 17.499 5.433 -0.055 1.00 0.35 C ATOM 1116 O TRP A 71 18.599 5.708 -0.542 1.00 0.40 O ATOM 1117 CB TRP A 71 16.802 3.029 -0.257 1.00 0.42 C ATOM 1118 CG TRP A 71 17.857 2.604 -1.241 1.00 0.52 C ATOM 1119 CD1 TRP A 71 18.931 1.795 -0.997 1.00 0.63 C ATOM 1120 CD2 TRP A 71 17.935 2.959 -2.630 1.00 0.58 C ATOM 1121 NE1 TRP A 71 19.693 1.671 -2.132 1.00 0.72 N ATOM 1122 CE2 TRP A 71 19.102 2.363 -3.147 1.00 0.68 C ATOM 1123 CE3 TRP A 71 17.146 3.733 -3.486 1.00 0.62 C ATOM 1124 CZ2 TRP A 71 19.491 2.515 -4.473 1.00 0.77 C ATOM 1125 CZ3 TRP A 71 17.532 3.874 -4.806 1.00 0.73 C ATOM 1126 CH2 TRP A 71 18.697 3.271 -5.286 1.00 0.77 C ATOM 0 H TRP A 71 15.501 3.734 1.747 1.00 0.30 H new ATOM 0 HA TRP A 71 18.234 3.813 1.135 1.00 0.36 H new ATOM 0 HB2 TRP A 71 16.483 2.162 0.322 1.00 0.42 H new ATOM 0 HB3 TRP A 71 15.929 3.388 -0.802 1.00 0.42 H new ATOM 0 HD1 TRP A 71 19.148 1.323 -0.050 1.00 0.63 H new ATOM 0 HE1 TRP A 71 20.564 1.144 -2.204 1.00 0.72 H new ATOM 0 HE3 TRP A 71 16.250 4.213 -3.122 1.00 0.62 H new ATOM 0 HZ2 TRP A 71 20.391 2.050 -4.847 1.00 0.77 H new ATOM 0 HZ3 TRP A 71 16.922 4.460 -5.478 1.00 0.73 H new ATOM 0 HH2 TRP A 71 18.975 3.406 -6.321 1.00 0.77 H new ATOM 1137 N LEU A 72 16.451 6.242 -0.140 1.00 0.36 N ATOM 1138 CA LEU A 72 16.528 7.521 -0.831 1.00 0.42 C ATOM 1139 C LEU A 72 17.494 8.466 -0.135 1.00 0.49 C ATOM 1140 O LEU A 72 18.388 9.021 -0.760 1.00 0.61 O ATOM 1141 CB LEU A 72 15.148 8.174 -0.899 1.00 0.45 C ATOM 1142 CG LEU A 72 14.479 8.165 -2.272 1.00 0.42 C ATOM 1143 CD1 LEU A 72 14.788 6.875 -3.019 1.00 1.23 C ATOM 1144 CD2 LEU A 72 12.978 8.348 -2.122 1.00 1.38 C ATOM 0 H LEU A 72 15.537 6.034 0.262 1.00 0.36 H new ATOM 0 HA LEU A 72 16.892 7.327 -1.840 1.00 0.42 H new ATOM 0 HB2 LEU A 72 14.491 7.668 -0.192 1.00 0.45 H new ATOM 0 HB3 LEU A 72 15.239 9.208 -0.566 1.00 0.45 H new ATOM 0 HG LEU A 72 14.878 8.995 -2.855 1.00 0.42 H new ATOM 0 HD11 LEU A 72 14.300 6.893 -3.994 1.00 1.23 H new ATOM 0 HD12 LEU A 72 15.866 6.782 -3.154 1.00 1.23 H new ATOM 0 HD13 LEU A 72 14.420 6.025 -2.445 1.00 1.23 H new ATOM 0 HD21 LEU A 72 12.510 8.340 -3.107 1.00 1.38 H new ATOM 0 HD22 LEU A 72 12.571 7.535 -1.520 1.00 1.38 H new ATOM 0 HD23 LEU A 72 12.775 9.300 -1.631 1.00 1.38 H new ATOM 1156 N LYS A 73 17.287 8.677 1.150 1.00 0.51 N ATOM 1157 CA LYS A 73 18.102 9.622 1.896 1.00 0.64 C ATOM 1158 C LYS A 73 19.505 9.072 2.139 1.00 0.63 C ATOM 1159 O LYS A 73 20.456 9.836 2.302 1.00 0.74 O ATOM 1160 CB LYS A 73 17.427 9.967 3.220 1.00 0.82 C ATOM 1161 CG LYS A 73 16.101 10.692 3.048 1.00 0.97 C ATOM 1162 CD LYS A 73 15.259 10.617 4.306 1.00 1.32 C ATOM 1163 CE LYS A 73 14.588 11.944 4.607 1.00 1.19 C ATOM 1164 NZ LYS A 73 13.128 11.903 4.334 1.00 1.42 N ATOM 0 H LYS A 73 16.565 8.210 1.699 1.00 0.51 H new ATOM 0 HA LYS A 73 18.199 10.530 1.301 1.00 0.64 H new ATOM 0 HB2 LYS A 73 17.261 9.050 3.785 1.00 0.82 H new ATOM 0 HB3 LYS A 73 18.099 10.589 3.811 1.00 0.82 H new ATOM 0 HG2 LYS A 73 16.286 11.736 2.795 1.00 0.97 H new ATOM 0 HG3 LYS A 73 15.551 10.254 2.215 1.00 0.97 H new ATOM 0 HD2 LYS A 73 14.501 9.843 4.192 1.00 1.32 H new ATOM 0 HD3 LYS A 73 15.887 10.326 5.148 1.00 1.32 H new ATOM 0 HE2 LYS A 73 14.754 12.206 5.652 1.00 1.19 H new ATOM 0 HE3 LYS A 73 15.048 12.728 4.005 1.00 1.19 H new ATOM 0 HZ1 LYS A 73 12.856 12.736 3.774 1.00 1.42 H new ATOM 0 HZ2 LYS A 73 12.898 11.039 3.803 1.00 1.42 H new ATOM 0 HZ3 LYS A 73 12.606 11.905 5.234 1.00 1.42 H new ATOM 1178 N GLU A 74 19.625 7.751 2.191 1.00 0.60 N ATOM 1179 CA GLU A 74 20.902 7.114 2.478 1.00 0.77 C ATOM 1180 C GLU A 74 21.800 7.050 1.242 1.00 0.85 C ATOM 1181 O GLU A 74 23.009 7.250 1.341 1.00 1.00 O ATOM 1182 CB GLU A 74 20.679 5.703 3.029 1.00 0.93 C ATOM 1183 CG GLU A 74 20.430 5.676 4.529 1.00 1.00 C ATOM 1184 CD GLU A 74 21.499 6.413 5.306 1.00 1.39 C ATOM 1185 OE1 GLU A 74 22.661 5.953 5.304 1.00 2.41 O ATOM 1186 OE2 GLU A 74 21.187 7.454 5.923 1.00 1.30 O ATOM 0 H GLU A 74 18.854 7.101 2.038 1.00 0.60 H new ATOM 0 HA GLU A 74 21.407 7.724 3.227 1.00 0.77 H new ATOM 0 HB2 GLU A 74 19.829 5.251 2.518 1.00 0.93 H new ATOM 0 HB3 GLU A 74 21.551 5.089 2.801 1.00 0.93 H new ATOM 0 HG2 GLU A 74 19.458 6.122 4.741 1.00 1.00 H new ATOM 0 HG3 GLU A 74 20.387 4.641 4.869 1.00 1.00 H new ATOM 1193 N ASN A 75 21.228 6.684 0.102 1.00 0.95 N ATOM 1194 CA ASN A 75 22.021 6.490 -1.112 1.00 1.20 C ATOM 1195 C ASN A 75 22.011 7.734 -2.003 1.00 1.20 C ATOM 1196 O ASN A 75 22.934 7.945 -2.791 1.00 1.32 O ATOM 1197 CB ASN A 75 21.531 5.248 -1.872 1.00 1.49 C ATOM 1198 CG ASN A 75 20.935 5.562 -3.231 1.00 1.22 C ATOM 1199 OD1 ASN A 75 21.637 5.597 -4.245 1.00 1.55 O ATOM 1200 ND2 ASN A 75 19.635 5.782 -3.260 1.00 0.88 N ATOM 0 H ASN A 75 20.228 6.516 -0.011 1.00 0.95 H new ATOM 0 HA ASN A 75 23.057 6.326 -0.817 1.00 1.20 H new ATOM 0 HB2 ASN A 75 22.366 4.559 -2.001 1.00 1.49 H new ATOM 0 HB3 ASN A 75 20.784 4.734 -1.267 1.00 1.49 H new ATOM 0 HD21 ASN A 75 19.173 5.991 -4.145 1.00 0.88 H new ATOM 0 HD22 ASN A 75 19.092 5.743 -2.398 1.00 0.88 H new ATOM 1207 N GLU A 76 21.023 8.600 -1.818 1.00 1.19 N ATOM 1208 CA GLU A 76 20.962 9.856 -2.553 1.00 1.36 C ATOM 1209 C GLU A 76 21.171 11.025 -1.596 1.00 1.69 C ATOM 1210 O GLU A 76 20.230 11.823 -1.397 1.00 2.16 O ATOM 1211 CB GLU A 76 19.619 9.984 -3.281 1.00 1.69 C ATOM 1212 CG GLU A 76 19.731 10.501 -4.704 1.00 1.63 C ATOM 1213 CD GLU A 76 19.435 11.984 -4.816 1.00 2.07 C ATOM 1214 OE1 GLU A 76 18.397 12.438 -4.289 1.00 2.92 O ATOM 1215 OE2 GLU A 76 20.248 12.703 -5.437 1.00 2.17 O ATOM 1216 OXT GLU A 76 22.272 11.129 -1.018 1.00 2.16 O ATOM 0 H GLU A 76 20.253 8.455 -1.165 1.00 1.19 H new ATOM 0 HA GLU A 76 21.755 9.870 -3.301 1.00 1.36 H new ATOM 0 HB2 GLU A 76 19.133 9.009 -3.298 1.00 1.69 H new ATOM 0 HB3 GLU A 76 18.972 10.653 -2.713 1.00 1.69 H new ATOM 0 HG2 GLU A 76 20.736 10.307 -5.078 1.00 1.63 H new ATOM 0 HG3 GLU A 76 19.041 9.948 -5.342 1.00 1.63 H new TER 1223 GLU A 76 ATOM 1224 N MET B 1 37.466 -27.289 -28.511 1.00 49.72 N ATOM 1225 CA MET B 1 38.542 -27.745 -29.415 1.00 50.01 C ATOM 1226 C MET B 1 38.246 -27.318 -30.848 1.00 50.09 C ATOM 1227 O MET B 1 37.287 -26.588 -31.097 1.00 50.14 O ATOM 1228 CB MET B 1 38.652 -29.267 -29.318 1.00 49.83 C ATOM 1229 CG MET B 1 39.546 -29.736 -28.186 1.00 50.16 C ATOM 1230 SD MET B 1 40.098 -31.438 -28.397 1.00 50.63 S ATOM 1231 CE MET B 1 41.644 -31.395 -27.494 1.00 50.90 C ATOM 0 H1 MET B 1 37.871 -27.048 -27.584 1.00 49.72 H new ATOM 0 H2 MET B 1 37.004 -26.450 -28.916 1.00 49.72 H new ATOM 0 H3 MET B 1 36.765 -28.048 -28.396 1.00 49.72 H new ATOM 0 HA MET B 1 39.489 -27.292 -29.120 1.00 50.01 H new ATOM 0 HB2 MET B 1 37.656 -29.688 -29.182 1.00 49.83 H new ATOM 0 HB3 MET B 1 39.037 -29.657 -30.260 1.00 49.83 H new ATOM 0 HG2 MET B 1 40.415 -29.082 -28.120 1.00 50.16 H new ATOM 0 HG3 MET B 1 39.008 -29.647 -27.242 1.00 50.16 H new ATOM 0 HE1 MET B 1 42.113 -32.378 -27.529 1.00 50.90 H new ATOM 0 HE2 MET B 1 42.309 -30.659 -27.946 1.00 50.90 H new ATOM 0 HE3 MET B 1 41.452 -31.122 -26.456 1.00 50.90 H new ATOM 1243 N SER B 2 39.080 -27.750 -31.783 1.00 50.14 N ATOM 1244 CA SER B 2 38.906 -27.388 -33.180 1.00 50.28 C ATOM 1245 C SER B 2 37.913 -28.325 -33.861 1.00 49.60 C ATOM 1246 O SER B 2 37.120 -27.903 -34.708 1.00 49.19 O ATOM 1247 CB SER B 2 40.258 -27.426 -33.892 1.00 50.63 C ATOM 1248 OG SER B 2 41.297 -27.736 -32.976 1.00 50.88 O ATOM 0 H SER B 2 39.883 -28.351 -31.599 1.00 50.14 H new ATOM 0 HA SER B 2 38.504 -26.377 -33.236 1.00 50.28 H new ATOM 0 HB2 SER B 2 40.235 -28.169 -34.689 1.00 50.63 H new ATOM 0 HB3 SER B 2 40.455 -26.462 -34.361 1.00 50.63 H new ATOM 0 HG SER B 2 42.155 -27.758 -33.449 1.00 50.88 H new ATOM 1254 N LEU B 3 37.949 -29.594 -33.475 1.00 49.51 N ATOM 1255 CA LEU B 3 37.058 -30.594 -34.043 1.00 48.94 C ATOM 1256 C LEU B 3 35.623 -30.379 -33.571 1.00 48.22 C ATOM 1257 O LEU B 3 34.765 -29.976 -34.355 1.00 48.18 O ATOM 1258 CB LEU B 3 37.523 -32.002 -33.666 1.00 48.75 C ATOM 1259 CG LEU B 3 38.455 -32.673 -34.675 1.00 48.99 C ATOM 1260 CD1 LEU B 3 39.524 -33.479 -33.958 1.00 49.26 C ATOM 1261 CD2 LEU B 3 37.665 -33.561 -35.622 1.00 48.96 C ATOM 0 H LEU B 3 38.589 -29.955 -32.768 1.00 49.51 H new ATOM 0 HA LEU B 3 37.086 -30.489 -35.128 1.00 48.94 H new ATOM 0 HB2 LEU B 3 38.031 -31.954 -32.703 1.00 48.75 H new ATOM 0 HB3 LEU B 3 36.645 -32.633 -33.532 1.00 48.75 H new ATOM 0 HG LEU B 3 38.945 -31.895 -35.261 1.00 48.99 H new ATOM 0 HD11 LEU B 3 40.178 -33.950 -34.692 1.00 49.26 H new ATOM 0 HD12 LEU B 3 40.111 -32.818 -33.320 1.00 49.26 H new ATOM 0 HD13 LEU B 3 39.051 -34.248 -33.347 1.00 49.26 H new ATOM 0 HD21 LEU B 3 38.345 -34.030 -36.333 1.00 48.96 H new ATOM 0 HD22 LEU B 3 37.148 -34.332 -35.051 1.00 48.96 H new ATOM 0 HD23 LEU B 3 36.935 -32.958 -36.162 1.00 48.96 H new ATOM 1273 N GLU B 4 35.374 -30.663 -32.288 1.00 47.69 N ATOM 1274 CA GLU B 4 34.037 -30.551 -31.701 1.00 46.99 C ATOM 1275 C GLU B 4 33.031 -31.390 -32.492 1.00 46.41 C ATOM 1276 O GLU B 4 31.914 -30.954 -32.776 1.00 46.09 O ATOM 1277 CB GLU B 4 33.589 -29.087 -31.641 1.00 47.08 C ATOM 1278 CG GLU B 4 33.255 -28.614 -30.235 1.00 47.35 C ATOM 1279 CD GLU B 4 34.459 -28.060 -29.502 1.00 47.87 C ATOM 1280 OE1 GLU B 4 35.359 -28.847 -29.147 1.00 48.48 O ATOM 1281 OE2 GLU B 4 34.509 -26.832 -29.272 1.00 47.70 O ATOM 0 H GLU B 4 36.090 -30.975 -31.632 1.00 47.69 H new ATOM 0 HA GLU B 4 34.080 -30.935 -30.682 1.00 46.99 H new ATOM 0 HB2 GLU B 4 34.378 -28.456 -32.050 1.00 47.08 H new ATOM 0 HB3 GLU B 4 32.714 -28.956 -32.278 1.00 47.08 H new ATOM 0 HG2 GLU B 4 32.483 -27.847 -30.288 1.00 47.35 H new ATOM 0 HG3 GLU B 4 32.839 -29.445 -29.666 1.00 47.35 H new ATOM 1288 N LYS B 5 33.467 -32.582 -32.879 1.00 46.34 N ATOM 1289 CA LYS B 5 32.650 -33.501 -33.658 1.00 45.89 C ATOM 1290 C LYS B 5 33.211 -34.911 -33.514 1.00 45.32 C ATOM 1291 O LYS B 5 34.209 -35.109 -32.813 1.00 45.40 O ATOM 1292 CB LYS B 5 32.615 -33.078 -35.135 1.00 46.20 C ATOM 1293 CG LYS B 5 33.983 -33.033 -35.796 1.00 46.45 C ATOM 1294 CD LYS B 5 33.869 -32.941 -37.307 1.00 47.12 C ATOM 1295 CE LYS B 5 34.801 -33.923 -37.999 1.00 47.36 C ATOM 1296 NZ LYS B 5 34.073 -34.828 -38.926 1.00 47.29 N ATOM 0 H LYS B 5 34.398 -32.938 -32.661 1.00 46.34 H new ATOM 0 HA LYS B 5 31.626 -33.480 -33.284 1.00 45.89 H new ATOM 0 HB2 LYS B 5 31.979 -33.771 -35.686 1.00 46.20 H new ATOM 0 HB3 LYS B 5 32.154 -32.093 -35.210 1.00 46.20 H new ATOM 0 HG2 LYS B 5 34.542 -32.176 -35.420 1.00 46.45 H new ATOM 0 HG3 LYS B 5 34.548 -33.925 -35.527 1.00 46.45 H new ATOM 0 HD2 LYS B 5 32.841 -33.141 -37.608 1.00 47.12 H new ATOM 0 HD3 LYS B 5 34.104 -31.927 -37.629 1.00 47.12 H new ATOM 0 HE2 LYS B 5 35.560 -33.372 -38.554 1.00 47.36 H new ATOM 0 HE3 LYS B 5 35.323 -34.517 -37.249 1.00 47.36 H new ATOM 0 HZ1 LYS B 5 34.747 -35.480 -39.375 1.00 47.29 H new ATOM 0 HZ2 LYS B 5 33.366 -35.374 -38.394 1.00 47.29 H new ATOM 0 HZ3 LYS B 5 33.596 -34.264 -39.658 1.00 47.29 H new ATOM 1310 N ALA B 6 32.591 -35.880 -34.179 1.00 44.78 N ATOM 1311 CA ALA B 6 33.054 -37.261 -34.128 1.00 44.24 C ATOM 1312 C ALA B 6 34.456 -37.388 -34.712 1.00 43.74 C ATOM 1313 O ALA B 6 34.898 -36.517 -35.470 1.00 43.85 O ATOM 1314 CB ALA B 6 32.087 -38.165 -34.871 1.00 44.52 C ATOM 0 H ALA B 6 31.766 -35.734 -34.760 1.00 44.78 H new ATOM 0 HA ALA B 6 33.094 -37.570 -33.084 1.00 44.24 H new ATOM 0 HB1 ALA B 6 32.443 -39.194 -34.826 1.00 44.52 H new ATOM 0 HB2 ALA B 6 31.102 -38.102 -34.409 1.00 44.52 H new ATOM 0 HB3 ALA B 6 32.021 -37.849 -35.912 1.00 44.52 H new ATOM 1320 N HIS B 7 35.171 -38.428 -34.285 1.00 43.26 N ATOM 1321 CA HIS B 7 36.559 -38.655 -34.691 1.00 42.80 C ATOM 1322 C HIS B 7 37.475 -37.618 -34.049 1.00 42.47 C ATOM 1323 O HIS B 7 38.402 -37.102 -34.674 1.00 42.04 O ATOM 1324 CB HIS B 7 36.699 -38.621 -36.219 1.00 42.48 C ATOM 1325 CG HIS B 7 37.821 -39.458 -36.751 1.00 42.63 C ATOM 1326 ND1 HIS B 7 37.645 -40.742 -37.209 1.00 42.29 N ATOM 1327 CD2 HIS B 7 39.134 -39.178 -36.920 1.00 43.14 C ATOM 1328 CE1 HIS B 7 38.798 -41.216 -37.636 1.00 42.58 C ATOM 1329 NE2 HIS B 7 39.724 -40.286 -37.477 1.00 43.10 N ATOM 0 H HIS B 7 34.806 -39.137 -33.649 1.00 43.26 H new ATOM 0 HA HIS B 7 36.855 -39.646 -34.347 1.00 42.80 H new ATOM 0 HB2 HIS B 7 35.764 -38.960 -36.666 1.00 42.48 H new ATOM 0 HB3 HIS B 7 36.848 -37.589 -36.536 1.00 42.48 H new ATOM 0 HD2 HIS B 7 39.628 -38.252 -36.664 1.00 43.14 H new ATOM 0 HE1 HIS B 7 38.960 -42.201 -38.048 1.00 42.58 H new ATOM 0 HE2 HIS B 7 40.709 -40.376 -37.726 1.00 43.10 H new ATOM 1338 N THR B 8 37.200 -37.317 -32.790 1.00 42.72 N ATOM 1339 CA THR B 8 37.981 -36.350 -32.039 1.00 42.49 C ATOM 1340 C THR B 8 39.239 -36.996 -31.462 1.00 42.09 C ATOM 1341 O THR B 8 39.284 -38.212 -31.260 1.00 42.17 O ATOM 1342 CB THR B 8 37.144 -35.763 -30.891 1.00 43.02 C ATOM 1343 OG1 THR B 8 35.800 -36.259 -30.973 1.00 43.54 O ATOM 1344 CG2 THR B 8 37.134 -34.242 -30.942 1.00 43.04 C ATOM 0 H THR B 8 36.433 -37.734 -32.263 1.00 42.72 H new ATOM 0 HA THR B 8 38.272 -35.553 -32.724 1.00 42.49 H new ATOM 0 HB THR B 8 37.594 -36.070 -29.947 1.00 43.02 H new ATOM 0 HG1 THR B 8 35.291 -35.719 -31.613 1.00 43.54 H new ATOM 0 HG21 THR B 8 36.534 -33.854 -30.118 1.00 43.04 H new ATOM 0 HG22 THR B 8 38.154 -33.868 -30.855 1.00 43.04 H new ATOM 0 HG23 THR B 8 36.706 -33.913 -31.889 1.00 43.04 H new ATOM 1352 N SER B 9 40.251 -36.183 -31.197 1.00 41.72 N ATOM 1353 CA SER B 9 41.490 -36.674 -30.620 1.00 41.37 C ATOM 1354 C SER B 9 41.431 -36.580 -29.100 1.00 40.97 C ATOM 1355 O SER B 9 40.832 -35.649 -28.552 1.00 40.81 O ATOM 1356 CB SER B 9 42.675 -35.869 -31.157 1.00 41.56 C ATOM 1357 OG SER B 9 42.246 -34.929 -32.130 1.00 41.99 O ATOM 0 H SER B 9 40.237 -35.178 -31.373 1.00 41.72 H new ATOM 0 HA SER B 9 41.622 -37.719 -30.901 1.00 41.37 H new ATOM 0 HB2 SER B 9 43.169 -35.350 -30.336 1.00 41.56 H new ATOM 0 HB3 SER B 9 43.410 -36.544 -31.596 1.00 41.56 H new ATOM 0 HG SER B 9 43.018 -34.424 -32.459 1.00 41.99 H new ATOM 1363 N VAL B 10 42.030 -37.564 -28.434 1.00 40.88 N ATOM 1364 CA VAL B 10 42.055 -37.630 -26.973 1.00 40.57 C ATOM 1365 C VAL B 10 40.629 -37.619 -26.408 1.00 39.78 C ATOM 1366 O VAL B 10 40.354 -37.049 -25.350 1.00 39.60 O ATOM 1367 CB VAL B 10 42.882 -36.471 -26.366 1.00 41.04 C ATOM 1368 CG1 VAL B 10 43.242 -36.756 -24.915 1.00 41.05 C ATOM 1369 CG2 VAL B 10 44.145 -36.224 -27.180 1.00 41.81 C ATOM 0 H VAL B 10 42.512 -38.338 -28.891 1.00 40.88 H new ATOM 0 HA VAL B 10 42.537 -38.567 -26.694 1.00 40.57 H new ATOM 0 HB VAL B 10 42.265 -35.573 -26.397 1.00 41.04 H new ATOM 0 HG11 VAL B 10 43.823 -35.925 -24.514 1.00 41.05 H new ATOM 0 HG12 VAL B 10 42.330 -36.876 -24.331 1.00 41.05 H new ATOM 0 HG13 VAL B 10 43.832 -37.671 -24.859 1.00 41.05 H new ATOM 0 HG21 VAL B 10 44.710 -35.405 -26.735 1.00 41.81 H new ATOM 0 HG22 VAL B 10 44.756 -37.126 -27.186 1.00 41.81 H new ATOM 0 HG23 VAL B 10 43.873 -35.963 -28.203 1.00 41.81 H new ATOM 1379 N LYS B 11 39.729 -38.277 -27.119 1.00 39.37 N ATOM 1380 CA LYS B 11 38.341 -38.372 -26.701 1.00 38.66 C ATOM 1381 C LYS B 11 37.924 -39.831 -26.617 1.00 37.92 C ATOM 1382 O LYS B 11 37.887 -40.531 -27.630 1.00 37.86 O ATOM 1383 CB LYS B 11 37.432 -37.618 -27.676 1.00 38.51 C ATOM 1384 CG LYS B 11 36.372 -36.774 -26.989 1.00 38.70 C ATOM 1385 CD LYS B 11 36.415 -35.330 -27.463 1.00 39.11 C ATOM 1386 CE LYS B 11 35.060 -34.656 -27.327 1.00 39.26 C ATOM 1387 NZ LYS B 11 35.044 -33.653 -26.230 1.00 39.34 N ATOM 0 H LYS B 11 39.937 -38.757 -27.995 1.00 39.37 H new ATOM 0 HA LYS B 11 38.242 -37.916 -25.716 1.00 38.66 H new ATOM 0 HB2 LYS B 11 38.045 -36.974 -28.307 1.00 38.51 H new ATOM 0 HB3 LYS B 11 36.943 -38.337 -28.333 1.00 38.51 H new ATOM 0 HG2 LYS B 11 35.386 -37.194 -27.188 1.00 38.70 H new ATOM 0 HG3 LYS B 11 36.521 -36.808 -25.910 1.00 38.70 H new ATOM 0 HD2 LYS B 11 37.156 -34.778 -26.884 1.00 39.11 H new ATOM 0 HD3 LYS B 11 36.735 -35.298 -28.504 1.00 39.11 H new ATOM 0 HE2 LYS B 11 34.801 -34.169 -28.267 1.00 39.26 H new ATOM 0 HE3 LYS B 11 34.297 -35.411 -27.139 1.00 39.26 H new ATOM 0 HZ1 LYS B 11 34.101 -33.217 -26.172 1.00 39.34 H new ATOM 0 HZ2 LYS B 11 35.265 -34.121 -25.328 1.00 39.34 H new ATOM 0 HZ3 LYS B 11 35.754 -32.918 -26.422 1.00 39.34 H new ATOM 1401 N LYS B 12 37.699 -40.304 -25.400 1.00 37.43 N ATOM 1402 CA LYS B 12 37.364 -41.702 -25.173 1.00 36.75 C ATOM 1403 C LYS B 12 36.043 -42.065 -25.845 1.00 36.06 C ATOM 1404 O LYS B 12 35.061 -41.321 -25.766 1.00 35.87 O ATOM 1405 CB LYS B 12 37.286 -41.995 -23.674 1.00 36.61 C ATOM 1406 CG LYS B 12 38.563 -42.586 -23.096 1.00 36.83 C ATOM 1407 CD LYS B 12 38.285 -43.874 -22.342 1.00 36.79 C ATOM 1408 CE LYS B 12 39.524 -44.749 -22.273 1.00 36.93 C ATOM 1409 NZ LYS B 12 39.293 -45.991 -21.489 1.00 36.94 N ATOM 0 H LYS B 12 37.743 -39.738 -24.552 1.00 37.43 H new ATOM 0 HA LYS B 12 38.153 -42.312 -25.614 1.00 36.75 H new ATOM 0 HB2 LYS B 12 37.052 -41.071 -23.145 1.00 36.61 H new ATOM 0 HB3 LYS B 12 36.462 -42.685 -23.491 1.00 36.61 H new ATOM 0 HG2 LYS B 12 39.273 -42.779 -23.900 1.00 36.83 H new ATOM 0 HG3 LYS B 12 39.029 -41.864 -22.426 1.00 36.83 H new ATOM 0 HD2 LYS B 12 37.944 -43.641 -21.333 1.00 36.79 H new ATOM 0 HD3 LYS B 12 37.479 -44.419 -22.833 1.00 36.79 H new ATOM 0 HE2 LYS B 12 39.837 -45.012 -23.283 1.00 36.93 H new ATOM 0 HE3 LYS B 12 40.341 -44.184 -21.823 1.00 36.93 H new ATOM 0 HZ1 LYS B 12 40.166 -46.556 -21.469 1.00 36.94 H new ATOM 0 HZ2 LYS B 12 39.020 -45.742 -20.517 1.00 36.94 H new ATOM 0 HZ3 LYS B 12 38.532 -46.544 -21.932 1.00 36.94 H new ATOM 1423 N MET B 13 36.035 -43.207 -26.518 1.00 35.73 N ATOM 1424 CA MET B 13 34.851 -43.694 -27.214 1.00 35.11 C ATOM 1425 C MET B 13 33.900 -44.381 -26.236 1.00 34.05 C ATOM 1426 O MET B 13 33.537 -45.546 -26.407 1.00 33.69 O ATOM 1427 CB MET B 13 35.258 -44.664 -28.326 1.00 35.48 C ATOM 1428 CG MET B 13 34.198 -44.846 -29.404 1.00 35.31 C ATOM 1429 SD MET B 13 34.485 -46.311 -30.415 1.00 35.65 S ATOM 1430 CE MET B 13 34.271 -47.609 -29.195 1.00 35.62 C ATOM 0 H MET B 13 36.846 -43.821 -26.597 1.00 35.73 H new ATOM 0 HA MET B 13 34.334 -42.844 -27.658 1.00 35.11 H new ATOM 0 HB2 MET B 13 36.176 -44.305 -28.790 1.00 35.48 H new ATOM 0 HB3 MET B 13 35.483 -45.635 -27.884 1.00 35.48 H new ATOM 0 HG2 MET B 13 33.217 -44.919 -28.935 1.00 35.31 H new ATOM 0 HG3 MET B 13 34.181 -43.964 -30.045 1.00 35.31 H new ATOM 0 HE1 MET B 13 33.925 -48.518 -29.687 1.00 35.62 H new ATOM 0 HE2 MET B 13 35.223 -47.804 -28.701 1.00 35.62 H new ATOM 0 HE3 MET B 13 33.535 -47.295 -28.455 1.00 35.62 H new ATOM 1440 N THR B 14 33.527 -43.657 -25.195 1.00 33.61 N ATOM 1441 CA THR B 14 32.639 -44.176 -24.171 1.00 32.62 C ATOM 1442 C THR B 14 31.680 -43.089 -23.704 1.00 31.94 C ATOM 1443 O THR B 14 32.028 -41.905 -23.709 1.00 32.15 O ATOM 1444 CB THR B 14 33.428 -44.692 -22.956 1.00 32.54 C ATOM 1445 OG1 THR B 14 34.813 -44.342 -23.085 1.00 33.35 O ATOM 1446 CG2 THR B 14 33.291 -46.200 -22.807 1.00 32.48 C ATOM 0 H THR B 14 33.830 -42.696 -25.037 1.00 33.61 H new ATOM 0 HA THR B 14 32.082 -45.003 -24.611 1.00 32.62 H new ATOM 0 HB THR B 14 33.014 -44.222 -22.064 1.00 32.54 H new ATOM 0 HG1 THR B 14 35.308 -44.673 -22.306 1.00 33.35 H new ATOM 0 HG21 THR B 14 33.860 -46.533 -21.939 1.00 32.48 H new ATOM 0 HG22 THR B 14 32.241 -46.458 -22.673 1.00 32.48 H new ATOM 0 HG23 THR B 14 33.674 -46.690 -23.702 1.00 32.48 H new ATOM 1454 N PHE B 15 30.491 -43.490 -23.278 1.00 31.19 N ATOM 1455 CA PHE B 15 29.512 -42.553 -22.760 1.00 30.54 C ATOM 1456 C PHE B 15 29.994 -41.986 -21.431 1.00 29.77 C ATOM 1457 O PHE B 15 29.924 -40.779 -21.190 1.00 29.39 O ATOM 1458 CB PHE B 15 28.166 -43.253 -22.583 1.00 30.31 C ATOM 1459 CG PHE B 15 27.027 -42.301 -22.404 1.00 30.09 C ATOM 1460 CD1 PHE B 15 26.586 -41.526 -23.460 1.00 30.43 C ATOM 1461 CD2 PHE B 15 26.396 -42.189 -21.179 1.00 29.61 C ATOM 1462 CE1 PHE B 15 25.531 -40.653 -23.296 1.00 30.32 C ATOM 1463 CE2 PHE B 15 25.343 -41.319 -21.008 1.00 29.47 C ATOM 1464 CZ PHE B 15 24.926 -40.523 -22.075 1.00 29.84 C ATOM 0 H PHE B 15 30.183 -44.462 -23.282 1.00 31.19 H new ATOM 0 HA PHE B 15 29.389 -41.733 -23.467 1.00 30.54 H new ATOM 0 HB2 PHE B 15 27.973 -43.881 -23.453 1.00 30.31 H new ATOM 0 HB3 PHE B 15 28.218 -43.914 -21.718 1.00 30.31 H new ATOM 0 HD1 PHE B 15 27.072 -41.605 -24.421 1.00 30.43 H new ATOM 0 HD2 PHE B 15 26.733 -42.790 -20.348 1.00 29.61 H new ATOM 0 HE1 PHE B 15 25.181 -40.069 -24.135 1.00 30.32 H new ATOM 0 HE2 PHE B 15 24.843 -41.253 -20.053 1.00 29.47 H new ATOM 0 HZ PHE B 15 24.129 -39.807 -21.938 1.00 29.84 H new ATOM 1474 N GLY B 16 30.533 -42.863 -20.597 1.00 29.61 N ATOM 1475 CA GLY B 16 31.061 -42.443 -19.321 1.00 28.95 C ATOM 1476 C GLY B 16 30.243 -42.974 -18.166 1.00 28.38 C ATOM 1477 O GLY B 16 29.296 -42.328 -17.723 1.00 27.86 O ATOM 0 H GLY B 16 30.613 -43.862 -20.785 1.00 29.61 H new ATOM 0 HA2 GLY B 16 32.091 -42.787 -19.224 1.00 28.95 H new ATOM 0 HA3 GLY B 16 31.083 -41.354 -19.279 1.00 28.95 H new ATOM 1481 N GLU B 17 30.606 -44.159 -17.684 1.00 28.54 N ATOM 1482 CA GLU B 17 29.900 -44.787 -16.571 1.00 28.12 C ATOM 1483 C GLU B 17 30.096 -43.988 -15.284 1.00 27.58 C ATOM 1484 O GLU B 17 29.319 -44.109 -14.336 1.00 27.25 O ATOM 1485 CB GLU B 17 30.382 -46.224 -16.379 1.00 28.76 C ATOM 1486 CG GLU B 17 29.651 -47.227 -17.256 1.00 28.83 C ATOM 1487 CD GLU B 17 29.997 -48.659 -16.920 1.00 28.83 C ATOM 1488 OE1 GLU B 17 29.717 -49.093 -15.782 1.00 28.71 O ATOM 1489 OE2 GLU B 17 30.552 -49.361 -17.789 1.00 29.03 O ATOM 0 H GLU B 17 31.387 -44.705 -18.048 1.00 28.54 H new ATOM 0 HA GLU B 17 28.836 -44.802 -16.807 1.00 28.12 H new ATOM 0 HB2 GLU B 17 31.449 -46.273 -16.595 1.00 28.76 H new ATOM 0 HB3 GLU B 17 30.255 -46.506 -15.334 1.00 28.76 H new ATOM 0 HG2 GLU B 17 28.576 -47.082 -17.147 1.00 28.83 H new ATOM 0 HG3 GLU B 17 29.894 -47.035 -18.301 1.00 28.83 H new ATOM 1496 N ASN B 18 31.098 -43.116 -15.285 1.00 27.58 N ATOM 1497 CA ASN B 18 31.349 -42.227 -14.155 1.00 27.16 C ATOM 1498 C ASN B 18 30.361 -41.066 -14.152 1.00 26.33 C ATOM 1499 O ASN B 18 30.331 -40.264 -13.220 1.00 26.18 O ATOM 1500 CB ASN B 18 32.791 -41.701 -14.193 1.00 27.37 C ATOM 1501 CG ASN B 18 32.919 -40.353 -14.894 1.00 27.17 C ATOM 1502 OD1 ASN B 18 32.596 -40.211 -16.074 1.00 26.74 O ATOM 1503 ND2 ASN B 18 33.415 -39.361 -14.179 1.00 27.56 N ATOM 0 H ASN B 18 31.753 -43.005 -16.059 1.00 27.58 H new ATOM 0 HA ASN B 18 31.212 -42.798 -13.236 1.00 27.16 H new ATOM 0 HB2 ASN B 18 33.165 -41.610 -13.173 1.00 27.37 H new ATOM 0 HB3 ASN B 18 33.424 -42.429 -14.701 1.00 27.37 H new ATOM 0 HD21 ASN B 18 33.541 -38.441 -14.601 1.00 27.56 H new ATOM 0 HD22 ASN B 18 33.672 -39.514 -13.204 1.00 27.56 H new ATOM 1510 N ARG B 19 29.539 -41.000 -15.189 1.00 25.86 N ATOM 1511 CA ARG B 19 28.526 -39.968 -15.300 1.00 25.09 C ATOM 1512 C ARG B 19 27.141 -40.574 -15.134 1.00 24.28 C ATOM 1513 O ARG B 19 26.809 -41.580 -15.767 1.00 23.72 O ATOM 1514 CB ARG B 19 28.631 -39.253 -16.647 1.00 24.95 C ATOM 1515 CG ARG B 19 28.880 -37.757 -16.523 1.00 25.02 C ATOM 1516 CD ARG B 19 29.930 -37.449 -15.469 1.00 25.65 C ATOM 1517 NE ARG B 19 29.347 -36.820 -14.285 1.00 25.93 N ATOM 1518 CZ ARG B 19 29.408 -35.514 -14.029 1.00 26.41 C ATOM 1519 NH1 ARG B 19 30.061 -34.702 -14.852 1.00 26.67 N ATOM 1520 NH2 ARG B 19 28.824 -35.026 -12.942 1.00 26.71 N ATOM 0 H ARG B 19 29.557 -41.656 -15.970 1.00 25.86 H new ATOM 0 HA ARG B 19 28.689 -39.237 -14.508 1.00 25.09 H new ATOM 0 HB2 ARG B 19 29.439 -39.701 -17.225 1.00 24.95 H new ATOM 0 HB3 ARG B 19 27.710 -39.415 -17.208 1.00 24.95 H new ATOM 0 HG2 ARG B 19 29.203 -37.361 -17.486 1.00 25.02 H new ATOM 0 HG3 ARG B 19 27.948 -37.253 -16.267 1.00 25.02 H new ATOM 0 HD2 ARG B 19 30.434 -38.371 -15.179 1.00 25.65 H new ATOM 0 HD3 ARG B 19 30.688 -36.791 -15.893 1.00 25.65 H new ATOM 0 HE ARG B 19 28.864 -37.417 -13.614 1.00 25.93 H new ATOM 0 HH11 ARG B 19 30.518 -35.078 -15.683 1.00 26.67 H new ATOM 0 HH12 ARG B 19 30.106 -33.703 -14.653 1.00 26.67 H new ATOM 0 HH21 ARG B 19 28.330 -35.650 -12.305 1.00 26.71 H new ATOM 0 HH22 ARG B 19 28.869 -34.026 -12.744 1.00 26.71 H new ATOM 1534 N ASP B 20 26.366 -40.006 -14.227 1.00 24.30 N ATOM 1535 CA ASP B 20 25.035 -40.520 -13.931 1.00 23.61 C ATOM 1536 C ASP B 20 23.992 -39.847 -14.807 1.00 22.79 C ATOM 1537 O ASP B 20 22.833 -40.268 -14.839 1.00 22.56 O ATOM 1538 CB ASP B 20 24.694 -40.304 -12.456 1.00 24.06 C ATOM 1539 CG ASP B 20 24.736 -41.589 -11.658 1.00 23.62 C ATOM 1540 OD1 ASP B 20 24.550 -42.672 -12.257 1.00 23.48 O ATOM 1541 OD2 ASP B 20 24.950 -41.529 -10.430 1.00 23.49 O ATOM 0 H ASP B 20 26.633 -39.187 -13.681 1.00 24.30 H new ATOM 0 HA ASP B 20 25.031 -41.589 -14.142 1.00 23.61 H new ATOM 0 HB2 ASP B 20 25.395 -39.589 -12.025 1.00 24.06 H new ATOM 0 HB3 ASP B 20 23.700 -39.863 -12.377 1.00 24.06 H new ATOM 1546 N LEU B 21 24.398 -38.760 -15.461 1.00 22.46 N ATOM 1547 CA LEU B 21 23.504 -37.961 -16.298 1.00 21.76 C ATOM 1548 C LEU B 21 22.296 -37.490 -15.491 1.00 20.84 C ATOM 1549 O LEU B 21 21.168 -37.460 -15.988 1.00 20.32 O ATOM 1550 CB LEU B 21 23.057 -38.754 -17.530 1.00 21.92 C ATOM 1551 CG LEU B 21 23.573 -38.223 -18.873 1.00 22.37 C ATOM 1552 CD1 LEU B 21 23.000 -36.844 -19.161 1.00 22.89 C ATOM 1553 CD2 LEU B 21 25.093 -38.179 -18.883 1.00 22.42 C ATOM 0 H LEU B 21 25.355 -38.408 -15.426 1.00 22.46 H new ATOM 0 HA LEU B 21 24.051 -37.084 -16.642 1.00 21.76 H new ATOM 0 HB2 LEU B 21 23.386 -39.787 -17.416 1.00 21.92 H new ATOM 0 HB3 LEU B 21 21.967 -38.767 -17.558 1.00 21.92 H new ATOM 0 HG LEU B 21 23.242 -38.903 -19.658 1.00 22.37 H new ATOM 0 HD11 LEU B 21 23.379 -36.485 -20.118 1.00 22.89 H new ATOM 0 HD12 LEU B 21 21.912 -36.903 -19.200 1.00 22.89 H new ATOM 0 HD13 LEU B 21 23.298 -36.154 -18.372 1.00 22.89 H new ATOM 0 HD21 LEU B 21 25.440 -37.800 -19.844 1.00 22.42 H new ATOM 0 HD22 LEU B 21 25.443 -37.523 -18.086 1.00 22.42 H new ATOM 0 HD23 LEU B 21 25.487 -39.183 -18.726 1.00 22.42 H new ATOM 1565 N GLU B 22 22.548 -37.133 -14.242 1.00 20.72 N ATOM 1566 CA GLU B 22 21.503 -36.673 -13.345 1.00 19.93 C ATOM 1567 C GLU B 22 21.162 -35.221 -13.632 1.00 19.41 C ATOM 1568 O GLU B 22 22.029 -34.441 -14.032 1.00 19.74 O ATOM 1569 CB GLU B 22 21.949 -36.822 -11.888 1.00 20.20 C ATOM 1570 CG GLU B 22 21.293 -37.988 -11.166 1.00 20.30 C ATOM 1571 CD GLU B 22 19.816 -38.103 -11.475 1.00 19.89 C ATOM 1572 OE1 GLU B 22 19.089 -37.101 -11.323 1.00 19.52 O ATOM 1573 OE2 GLU B 22 19.380 -39.198 -11.884 1.00 20.02 O ATOM 0 H GLU B 22 23.478 -37.154 -13.824 1.00 20.72 H new ATOM 0 HA GLU B 22 20.616 -37.284 -13.509 1.00 19.93 H new ATOM 0 HB2 GLU B 22 23.031 -36.950 -11.860 1.00 20.20 H new ATOM 0 HB3 GLU B 22 21.723 -35.900 -11.352 1.00 20.20 H new ATOM 0 HG2 GLU B 22 21.793 -38.914 -11.449 1.00 20.30 H new ATOM 0 HG3 GLU B 22 21.428 -37.868 -10.091 1.00 20.30 H new ATOM 1580 N ARG B 23 19.911 -34.856 -13.409 1.00 18.69 N ATOM 1581 CA ARG B 23 19.468 -33.490 -13.618 1.00 18.19 C ATOM 1582 C ARG B 23 18.709 -32.990 -12.398 1.00 17.33 C ATOM 1583 O ARG B 23 18.013 -33.754 -11.728 1.00 17.06 O ATOM 1584 CB ARG B 23 18.584 -33.396 -14.862 1.00 18.28 C ATOM 1585 CG ARG B 23 19.346 -32.993 -16.116 1.00 18.65 C ATOM 1586 CD ARG B 23 18.459 -33.049 -17.350 1.00 18.48 C ATOM 1587 NE ARG B 23 17.661 -34.271 -17.391 1.00 18.13 N ATOM 1588 CZ ARG B 23 16.379 -34.312 -17.747 1.00 17.91 C ATOM 1589 NH1 ARG B 23 15.747 -33.195 -18.086 1.00 18.00 N ATOM 1590 NH2 ARG B 23 15.737 -35.470 -17.763 1.00 17.74 N ATOM 0 H ARG B 23 19.182 -35.490 -13.082 1.00 18.69 H new ATOM 0 HA ARG B 23 20.347 -32.863 -13.769 1.00 18.19 H new ATOM 0 HB2 ARG B 23 18.104 -34.360 -15.031 1.00 18.28 H new ATOM 0 HB3 ARG B 23 17.790 -32.672 -14.680 1.00 18.28 H new ATOM 0 HG2 ARG B 23 19.740 -31.984 -15.995 1.00 18.65 H new ATOM 0 HG3 ARG B 23 20.202 -33.655 -16.251 1.00 18.65 H new ATOM 0 HD2 ARG B 23 17.798 -32.183 -17.361 1.00 18.48 H new ATOM 0 HD3 ARG B 23 19.078 -32.989 -18.245 1.00 18.48 H new ATOM 0 HE ARG B 23 18.114 -35.147 -17.131 1.00 18.13 H new ATOM 0 HH11 ARG B 23 16.244 -32.304 -18.074 1.00 18.00 H new ATOM 0 HH12 ARG B 23 14.765 -33.227 -18.359 1.00 18.00 H new ATOM 0 HH21 ARG B 23 16.225 -36.327 -17.503 1.00 17.74 H new ATOM 0 HH22 ARG B 23 14.755 -35.505 -18.035 1.00 17.74 H new ATOM 1604 N VAL B 24 18.843 -31.704 -12.126 1.00 17.00 N ATOM 1605 CA VAL B 24 18.151 -31.073 -11.016 1.00 16.23 C ATOM 1606 C VAL B 24 17.613 -29.722 -11.455 1.00 15.49 C ATOM 1607 O VAL B 24 18.353 -28.734 -11.513 1.00 15.64 O ATOM 1608 CB VAL B 24 19.059 -30.883 -9.778 1.00 16.53 C ATOM 1609 CG1 VAL B 24 18.670 -31.858 -8.679 1.00 16.12 C ATOM 1610 CG2 VAL B 24 20.532 -31.043 -10.139 1.00 17.37 C ATOM 0 H VAL B 24 19.432 -31.070 -12.666 1.00 17.00 H new ATOM 0 HA VAL B 24 17.336 -31.736 -10.725 1.00 16.23 H new ATOM 0 HB VAL B 24 18.915 -29.867 -9.411 1.00 16.53 H new ATOM 0 HG11 VAL B 24 19.319 -31.711 -7.816 1.00 16.12 H new ATOM 0 HG12 VAL B 24 17.634 -31.684 -8.388 1.00 16.12 H new ATOM 0 HG13 VAL B 24 18.778 -32.879 -9.044 1.00 16.12 H new ATOM 0 HG21 VAL B 24 21.142 -30.903 -9.247 1.00 17.37 H new ATOM 0 HG22 VAL B 24 20.701 -32.041 -10.542 1.00 17.37 H new ATOM 0 HG23 VAL B 24 20.806 -30.299 -10.886 1.00 17.37 H new ATOM 1620 N VAL B 25 16.350 -29.704 -11.845 1.00 14.81 N ATOM 1621 CA VAL B 25 15.728 -28.491 -12.352 1.00 14.13 C ATOM 1622 C VAL B 25 15.559 -27.469 -11.239 1.00 13.38 C ATOM 1623 O VAL B 25 14.838 -27.706 -10.268 1.00 13.23 O ATOM 1624 CB VAL B 25 14.354 -28.774 -12.995 1.00 14.18 C ATOM 1625 CG1 VAL B 25 13.809 -27.530 -13.684 1.00 13.94 C ATOM 1626 CG2 VAL B 25 14.458 -29.928 -13.976 1.00 14.46 C ATOM 0 H VAL B 25 15.734 -30.516 -11.821 1.00 14.81 H new ATOM 0 HA VAL B 25 16.391 -28.092 -13.119 1.00 14.13 H new ATOM 0 HB VAL B 25 13.657 -29.052 -12.204 1.00 14.18 H new ATOM 0 HG11 VAL B 25 12.840 -27.756 -14.129 1.00 13.94 H new ATOM 0 HG12 VAL B 25 13.695 -26.730 -12.953 1.00 13.94 H new ATOM 0 HG13 VAL B 25 14.502 -27.213 -14.464 1.00 13.94 H new ATOM 0 HG21 VAL B 25 13.481 -30.116 -14.422 1.00 14.46 H new ATOM 0 HG22 VAL B 25 15.172 -29.676 -14.760 1.00 14.46 H new ATOM 0 HG23 VAL B 25 14.796 -30.822 -13.452 1.00 14.46 H new ATOM 1636 N THR B 26 16.262 -26.356 -11.368 1.00 13.07 N ATOM 1637 CA THR B 26 16.212 -25.300 -10.377 1.00 12.47 C ATOM 1638 C THR B 26 14.825 -24.656 -10.345 1.00 11.78 C ATOM 1639 O THR B 26 14.104 -24.662 -11.348 1.00 11.91 O ATOM 1640 CB THR B 26 17.282 -24.233 -10.683 1.00 12.87 C ATOM 1641 OG1 THR B 26 17.931 -24.547 -11.925 1.00 13.71 O ATOM 1642 CG2 THR B 26 18.323 -24.161 -9.578 1.00 12.94 C ATOM 0 H THR B 26 16.878 -26.162 -12.157 1.00 13.07 H new ATOM 0 HA THR B 26 16.414 -25.736 -9.399 1.00 12.47 H new ATOM 0 HB THR B 26 16.785 -23.265 -10.751 1.00 12.87 H new ATOM 0 HG1 THR B 26 17.315 -24.376 -12.668 1.00 13.71 H new ATOM 0 HG21 THR B 26 19.063 -23.399 -9.824 1.00 12.94 H new ATOM 0 HG22 THR B 26 17.837 -23.904 -8.637 1.00 12.94 H new ATOM 0 HG23 THR B 26 18.817 -25.128 -9.480 1.00 12.94 H new ATOM 1650 N ALA B 27 14.431 -24.162 -9.185 1.00 11.17 N ATOM 1651 CA ALA B 27 13.118 -23.566 -9.016 1.00 10.52 C ATOM 1652 C ALA B 27 13.140 -22.093 -9.396 1.00 9.95 C ATOM 1653 O ALA B 27 13.885 -21.302 -8.813 1.00 9.71 O ATOM 1654 CB ALA B 27 12.637 -23.744 -7.583 1.00 10.28 C ATOM 0 H ALA B 27 15.005 -24.162 -8.342 1.00 11.17 H new ATOM 0 HA ALA B 27 12.421 -24.076 -9.681 1.00 10.52 H new ATOM 0 HB1 ALA B 27 11.651 -23.292 -7.471 1.00 10.28 H new ATOM 0 HB2 ALA B 27 12.578 -24.807 -7.348 1.00 10.28 H new ATOM 0 HB3 ALA B 27 13.337 -23.261 -6.902 1.00 10.28 H new ATOM 1660 N PRO B 28 12.358 -21.712 -10.416 1.00 9.96 N ATOM 1661 CA PRO B 28 12.303 -20.330 -10.899 1.00 9.63 C ATOM 1662 C PRO B 28 11.433 -19.445 -10.007 1.00 8.60 C ATOM 1663 O PRO B 28 10.874 -19.913 -9.011 1.00 8.30 O ATOM 1664 CB PRO B 28 11.675 -20.478 -12.283 1.00 10.21 C ATOM 1665 CG PRO B 28 10.805 -21.683 -12.176 1.00 10.68 C ATOM 1666 CD PRO B 28 11.483 -22.606 -11.199 1.00 10.54 C ATOM 0 HA PRO B 28 13.282 -19.851 -10.906 1.00 9.63 H new ATOM 0 HB2 PRO B 28 11.096 -19.594 -12.552 1.00 10.21 H new ATOM 0 HB3 PRO B 28 12.437 -20.606 -13.052 1.00 10.21 H new ATOM 0 HG2 PRO B 28 9.808 -21.413 -11.829 1.00 10.68 H new ATOM 0 HG3 PRO B 28 10.685 -22.164 -13.147 1.00 10.68 H new ATOM 0 HD2 PRO B 28 10.760 -23.115 -10.562 1.00 10.54 H new ATOM 0 HD3 PRO B 28 12.057 -23.379 -11.711 1.00 10.54 H new ATOM 1674 N VAL B 29 11.315 -18.176 -10.365 1.00 8.25 N ATOM 1675 CA VAL B 29 10.503 -17.241 -9.602 1.00 7.38 C ATOM 1676 C VAL B 29 9.396 -16.659 -10.478 1.00 6.86 C ATOM 1677 O VAL B 29 9.499 -15.533 -10.971 1.00 6.83 O ATOM 1678 CB VAL B 29 11.342 -16.089 -9.011 1.00 7.36 C ATOM 1679 CG1 VAL B 29 10.734 -15.611 -7.703 1.00 7.30 C ATOM 1680 CG2 VAL B 29 12.789 -16.510 -8.799 1.00 8.00 C ATOM 0 H VAL B 29 11.772 -17.769 -11.181 1.00 8.25 H new ATOM 0 HA VAL B 29 10.067 -17.802 -8.775 1.00 7.38 H new ATOM 0 HB VAL B 29 11.334 -15.267 -9.727 1.00 7.36 H new ATOM 0 HG11 VAL B 29 11.336 -14.798 -7.297 1.00 7.30 H new ATOM 0 HG12 VAL B 29 9.719 -15.256 -7.882 1.00 7.30 H new ATOM 0 HG13 VAL B 29 10.710 -16.435 -6.990 1.00 7.30 H new ATOM 0 HG21 VAL B 29 13.353 -15.676 -8.382 1.00 8.00 H new ATOM 0 HG22 VAL B 29 12.825 -17.354 -8.110 1.00 8.00 H new ATOM 0 HG23 VAL B 29 13.226 -16.802 -9.754 1.00 8.00 H new ATOM 1690 N SER B 30 8.362 -17.451 -10.704 1.00 6.76 N ATOM 1691 CA SER B 30 7.251 -17.037 -11.546 1.00 6.54 C ATOM 1692 C SER B 30 6.040 -16.663 -10.698 1.00 5.55 C ATOM 1693 O SER B 30 5.467 -15.586 -10.859 1.00 5.55 O ATOM 1694 CB SER B 30 6.893 -18.161 -12.523 1.00 7.31 C ATOM 1695 OG SER B 30 7.944 -19.117 -12.602 1.00 8.13 O ATOM 0 H SER B 30 8.268 -18.389 -10.314 1.00 6.76 H new ATOM 0 HA SER B 30 7.552 -16.156 -12.113 1.00 6.54 H new ATOM 0 HB2 SER B 30 5.974 -18.650 -12.200 1.00 7.31 H new ATOM 0 HB3 SER B 30 6.701 -17.743 -13.511 1.00 7.31 H new ATOM 0 HG SER B 30 7.694 -19.827 -13.230 1.00 8.13 H new ATOM 1701 N SER B 31 5.675 -17.543 -9.775 1.00 5.05 N ATOM 1702 CA SER B 31 4.549 -17.294 -8.886 1.00 4.38 C ATOM 1703 C SER B 31 4.829 -17.852 -7.490 1.00 3.76 C ATOM 1704 O SER B 31 5.656 -18.755 -7.325 1.00 4.12 O ATOM 1705 CB SER B 31 3.271 -17.914 -9.457 1.00 4.89 C ATOM 1706 OG SER B 31 3.526 -18.614 -10.669 1.00 5.76 O ATOM 0 H SER B 31 6.143 -18.436 -9.623 1.00 5.05 H new ATOM 0 HA SER B 31 4.410 -16.216 -8.805 1.00 4.38 H new ATOM 0 HB2 SER B 31 2.839 -18.597 -8.726 1.00 4.89 H new ATOM 0 HB3 SER B 31 2.534 -17.131 -9.636 1.00 4.89 H new ATOM 0 HG SER B 31 2.690 -18.999 -11.006 1.00 5.76 H new ATOM 1712 N GLY B 32 4.158 -17.294 -6.490 1.00 3.21 N ATOM 1713 CA GLY B 32 4.337 -17.748 -5.125 1.00 3.08 C ATOM 1714 C GLY B 32 5.536 -17.107 -4.464 1.00 2.11 C ATOM 1715 O GLY B 32 5.389 -16.331 -3.518 1.00 2.56 O ATOM 0 H GLY B 32 3.490 -16.531 -6.602 1.00 3.21 H new ATOM 0 HA2 GLY B 32 3.441 -17.521 -4.548 1.00 3.08 H new ATOM 0 HA3 GLY B 32 4.455 -18.832 -5.117 1.00 3.08 H new ATOM 1719 N LYS B 33 6.715 -17.384 -5.007 1.00 1.35 N ATOM 1720 CA LYS B 33 7.964 -16.824 -4.491 1.00 0.80 C ATOM 1721 C LYS B 33 8.128 -15.363 -4.910 1.00 0.59 C ATOM 1722 O LYS B 33 9.096 -14.702 -4.535 1.00 0.58 O ATOM 1723 CB LYS B 33 9.158 -17.647 -4.980 1.00 1.23 C ATOM 1724 CG LYS B 33 9.174 -19.068 -4.439 1.00 2.23 C ATOM 1725 CD LYS B 33 10.230 -19.245 -3.359 1.00 3.13 C ATOM 1726 CE LYS B 33 9.603 -19.605 -2.023 1.00 4.15 C ATOM 1727 NZ LYS B 33 10.130 -18.761 -0.920 1.00 4.99 N ATOM 0 H LYS B 33 6.835 -17.999 -5.812 1.00 1.35 H new ATOM 0 HA LYS B 33 7.925 -16.864 -3.402 1.00 0.80 H new ATOM 0 HB2 LYS B 33 9.145 -17.681 -6.069 1.00 1.23 H new ATOM 0 HB3 LYS B 33 10.080 -17.145 -4.688 1.00 1.23 H new ATOM 0 HG2 LYS B 33 8.193 -19.314 -4.033 1.00 2.23 H new ATOM 0 HG3 LYS B 33 9.366 -19.766 -5.254 1.00 2.23 H new ATOM 0 HD2 LYS B 33 10.929 -20.026 -3.657 1.00 3.13 H new ATOM 0 HD3 LYS B 33 10.805 -18.325 -3.256 1.00 3.13 H new ATOM 0 HE2 LYS B 33 8.521 -19.487 -2.086 1.00 4.15 H new ATOM 0 HE3 LYS B 33 9.797 -20.655 -1.802 1.00 4.15 H new ATOM 0 HZ1 LYS B 33 9.346 -18.465 -0.305 1.00 4.99 H new ATOM 0 HZ2 LYS B 33 10.819 -19.307 -0.364 1.00 4.99 H new ATOM 0 HZ3 LYS B 33 10.595 -17.920 -1.318 1.00 4.99 H new ATOM 1741 N ILE B 34 7.132 -14.848 -5.608 1.00 0.67 N ATOM 1742 CA ILE B 34 7.094 -13.450 -5.988 1.00 0.59 C ATOM 1743 C ILE B 34 5.694 -12.897 -5.726 1.00 0.57 C ATOM 1744 O ILE B 34 4.710 -13.642 -5.775 1.00 0.68 O ATOM 1745 CB ILE B 34 7.482 -13.258 -7.474 1.00 0.78 C ATOM 1746 CG1 ILE B 34 7.792 -11.789 -7.765 1.00 1.38 C ATOM 1747 CG2 ILE B 34 6.386 -13.766 -8.401 1.00 1.45 C ATOM 1748 CD1 ILE B 34 9.141 -11.572 -8.412 1.00 1.92 C ATOM 0 H ILE B 34 6.328 -15.388 -5.927 1.00 0.67 H new ATOM 0 HA ILE B 34 7.823 -12.905 -5.388 1.00 0.59 H new ATOM 0 HB ILE B 34 8.380 -13.846 -7.662 1.00 0.78 H new ATOM 0 HG12 ILE B 34 7.017 -11.385 -8.416 1.00 1.38 H new ATOM 0 HG13 ILE B 34 7.751 -11.226 -6.833 1.00 1.38 H new ATOM 0 HG21 ILE B 34 6.688 -13.617 -9.438 1.00 1.45 H new ATOM 0 HG22 ILE B 34 6.220 -14.828 -8.220 1.00 1.45 H new ATOM 0 HG23 ILE B 34 5.464 -13.217 -8.210 1.00 1.45 H new ATOM 0 HD11 ILE B 34 9.293 -10.507 -8.589 1.00 1.92 H new ATOM 0 HD12 ILE B 34 9.925 -11.945 -7.753 1.00 1.92 H new ATOM 0 HD13 ILE B 34 9.180 -12.107 -9.361 1.00 1.92 H new ATOM 1760 N LYS B 35 5.626 -11.646 -5.301 1.00 0.54 N ATOM 1761 CA LYS B 35 4.360 -11.034 -4.929 1.00 0.58 C ATOM 1762 C LYS B 35 4.251 -9.633 -5.515 1.00 0.59 C ATOM 1763 O LYS B 35 5.259 -8.975 -5.763 1.00 0.67 O ATOM 1764 CB LYS B 35 4.195 -10.969 -3.402 1.00 0.70 C ATOM 1765 CG LYS B 35 5.398 -11.462 -2.603 1.00 0.94 C ATOM 1766 CD LYS B 35 5.334 -12.964 -2.332 1.00 1.25 C ATOM 1767 CE LYS B 35 4.006 -13.381 -1.717 1.00 1.12 C ATOM 1768 NZ LYS B 35 3.390 -14.515 -2.456 1.00 1.30 N ATOM 0 H LYS B 35 6.435 -11.032 -5.205 1.00 0.54 H new ATOM 0 HA LYS B 35 3.564 -11.658 -5.335 1.00 0.58 H new ATOM 0 HB2 LYS B 35 3.987 -9.938 -3.118 1.00 0.70 H new ATOM 0 HB3 LYS B 35 3.323 -11.560 -3.120 1.00 0.70 H new ATOM 0 HG2 LYS B 35 6.313 -11.232 -3.148 1.00 0.94 H new ATOM 0 HG3 LYS B 35 5.448 -10.925 -1.656 1.00 0.94 H new ATOM 0 HD2 LYS B 35 5.487 -13.507 -3.265 1.00 1.25 H new ATOM 0 HD3 LYS B 35 6.147 -13.246 -1.663 1.00 1.25 H new ATOM 0 HE2 LYS B 35 4.160 -13.666 -0.676 1.00 1.12 H new ATOM 0 HE3 LYS B 35 3.322 -12.532 -1.717 1.00 1.12 H new ATOM 0 HZ1 LYS B 35 2.769 -15.050 -1.816 1.00 1.30 H new ATOM 0 HZ2 LYS B 35 2.832 -14.148 -3.253 1.00 1.30 H new ATOM 0 HZ3 LYS B 35 4.138 -15.141 -2.817 1.00 1.30 H new ATOM 1782 N ARG B 36 3.025 -9.177 -5.706 1.00 0.63 N ATOM 1783 CA ARG B 36 2.778 -7.850 -6.247 1.00 0.65 C ATOM 1784 C ARG B 36 2.316 -6.905 -5.148 1.00 0.63 C ATOM 1785 O ARG B 36 1.313 -7.161 -4.478 1.00 0.77 O ATOM 1786 CB ARG B 36 1.725 -7.918 -7.351 1.00 0.72 C ATOM 1787 CG ARG B 36 2.243 -8.509 -8.648 1.00 1.52 C ATOM 1788 CD ARG B 36 1.108 -8.987 -9.544 1.00 1.83 C ATOM 1789 NE ARG B 36 0.006 -8.025 -9.604 1.00 2.61 N ATOM 1790 CZ ARG B 36 -0.013 -6.954 -10.396 1.00 3.31 C ATOM 1791 NH1 ARG B 36 0.985 -6.733 -11.246 1.00 3.37 N ATOM 1792 NH2 ARG B 36 -1.036 -6.113 -10.349 1.00 4.33 N ATOM 0 H ARG B 36 2.181 -9.709 -5.493 1.00 0.63 H new ATOM 0 HA ARG B 36 3.709 -7.470 -6.667 1.00 0.65 H new ATOM 0 HB2 ARG B 36 0.882 -8.514 -7.001 1.00 0.72 H new ATOM 0 HB3 ARG B 36 1.348 -6.914 -7.544 1.00 0.72 H new ATOM 0 HG2 ARG B 36 2.834 -7.762 -9.177 1.00 1.52 H new ATOM 0 HG3 ARG B 36 2.908 -9.344 -8.427 1.00 1.52 H new ATOM 0 HD2 ARG B 36 1.491 -9.161 -10.550 1.00 1.83 H new ATOM 0 HD3 ARG B 36 0.734 -9.942 -9.175 1.00 1.83 H new ATOM 0 HE ARG B 36 -0.800 -8.185 -9.000 1.00 2.61 H new ATOM 0 HH11 ARG B 36 1.768 -7.384 -11.293 1.00 3.37 H new ATOM 0 HH12 ARG B 36 0.967 -5.912 -11.851 1.00 3.37 H new ATOM 0 HH21 ARG B 36 -1.809 -6.286 -9.706 1.00 4.33 H new ATOM 0 HH22 ARG B 36 -1.050 -5.293 -10.955 1.00 4.33 H new ATOM 1806 N VAL B 37 3.050 -5.822 -4.951 1.00 0.53 N ATOM 1807 CA VAL B 37 2.711 -4.853 -3.921 1.00 0.56 C ATOM 1808 C VAL B 37 2.478 -3.478 -4.537 1.00 0.49 C ATOM 1809 O VAL B 37 3.364 -2.915 -5.175 1.00 0.49 O ATOM 1810 CB VAL B 37 3.818 -4.757 -2.843 1.00 0.71 C ATOM 1811 CG1 VAL B 37 3.487 -3.679 -1.822 1.00 0.92 C ATOM 1812 CG2 VAL B 37 4.014 -6.100 -2.156 1.00 1.36 C ATOM 0 H VAL B 37 3.884 -5.592 -5.491 1.00 0.53 H new ATOM 0 HA VAL B 37 1.794 -5.196 -3.441 1.00 0.56 H new ATOM 0 HB VAL B 37 4.750 -4.483 -3.337 1.00 0.71 H new ATOM 0 HG11 VAL B 37 4.279 -3.630 -1.075 1.00 0.92 H new ATOM 0 HG12 VAL B 37 3.402 -2.716 -2.325 1.00 0.92 H new ATOM 0 HG13 VAL B 37 2.542 -3.918 -1.334 1.00 0.92 H new ATOM 0 HG21 VAL B 37 4.796 -6.012 -1.402 1.00 1.36 H new ATOM 0 HG22 VAL B 37 3.082 -6.404 -1.679 1.00 1.36 H new ATOM 0 HG23 VAL B 37 4.304 -6.847 -2.894 1.00 1.36 H new ATOM 1822 N ASN B 38 1.296 -2.928 -4.318 1.00 0.54 N ATOM 1823 CA ASN B 38 0.981 -1.594 -4.809 1.00 0.54 C ATOM 1824 C ASN B 38 1.019 -0.602 -3.659 1.00 0.52 C ATOM 1825 O ASN B 38 0.280 -0.739 -2.684 1.00 0.60 O ATOM 1826 CB ASN B 38 -0.395 -1.566 -5.480 1.00 0.66 C ATOM 1827 CG ASN B 38 -0.815 -0.160 -5.875 1.00 0.92 C ATOM 1828 OD1 ASN B 38 -0.131 0.513 -6.649 1.00 1.67 O ATOM 1829 ND2 ASN B 38 -1.940 0.295 -5.344 1.00 1.37 N ATOM 0 H ASN B 38 0.540 -3.381 -3.805 1.00 0.54 H new ATOM 0 HA ASN B 38 1.727 -1.316 -5.553 1.00 0.54 H new ATOM 0 HB2 ASN B 38 -0.378 -2.200 -6.366 1.00 0.66 H new ATOM 0 HB3 ASN B 38 -1.137 -1.987 -4.801 1.00 0.66 H new ATOM 0 HD21 ASN B 38 -2.268 1.233 -5.572 1.00 1.37 H new ATOM 0 HD22 ASN B 38 -2.478 -0.293 -4.707 1.00 1.37 H new ATOM 1836 N VAL B 39 1.940 0.344 -3.736 1.00 0.48 N ATOM 1837 CA VAL B 39 2.123 1.302 -2.664 1.00 0.49 C ATOM 1838 C VAL B 39 1.959 2.726 -3.168 1.00 0.46 C ATOM 1839 O VAL B 39 2.155 3.007 -4.354 1.00 0.48 O ATOM 1840 CB VAL B 39 3.510 1.171 -2.000 1.00 0.54 C ATOM 1841 CG1 VAL B 39 3.368 1.069 -0.492 1.00 0.77 C ATOM 1842 CG2 VAL B 39 4.273 -0.027 -2.550 1.00 0.54 C ATOM 0 H VAL B 39 2.570 0.467 -4.529 1.00 0.48 H new ATOM 0 HA VAL B 39 1.355 1.081 -1.923 1.00 0.49 H new ATOM 0 HB VAL B 39 4.083 2.068 -2.236 1.00 0.54 H new ATOM 0 HG11 VAL B 39 4.355 0.977 -0.039 1.00 0.77 H new ATOM 0 HG12 VAL B 39 2.876 1.964 -0.112 1.00 0.77 H new ATOM 0 HG13 VAL B 39 2.771 0.192 -0.241 1.00 0.77 H new ATOM 0 HG21 VAL B 39 5.246 -0.093 -2.063 1.00 0.54 H new ATOM 0 HG22 VAL B 39 3.708 -0.939 -2.356 1.00 0.54 H new ATOM 0 HG23 VAL B 39 4.412 0.092 -3.624 1.00 0.54 H new ATOM 1852 N ASN B 40 1.686 3.630 -2.243 1.00 0.52 N ATOM 1853 CA ASN B 40 1.598 5.046 -2.555 1.00 0.57 C ATOM 1854 C ASN B 40 2.708 5.800 -1.841 1.00 0.56 C ATOM 1855 O ASN B 40 3.002 5.533 -0.674 1.00 0.72 O ATOM 1856 CB ASN B 40 0.231 5.619 -2.165 1.00 0.77 C ATOM 1857 CG ASN B 40 -0.235 5.170 -0.792 1.00 1.47 C ATOM 1858 OD1 ASN B 40 0.236 5.659 0.231 1.00 2.28 O ATOM 1859 ND2 ASN B 40 -1.174 4.239 -0.764 1.00 1.99 N ATOM 0 H ASN B 40 1.520 3.406 -1.262 1.00 0.52 H new ATOM 0 HA ASN B 40 1.714 5.166 -3.632 1.00 0.57 H new ATOM 0 HB2 ASN B 40 0.281 6.708 -2.187 1.00 0.77 H new ATOM 0 HB3 ASN B 40 -0.507 5.319 -2.909 1.00 0.77 H new ATOM 0 HD21 ASN B 40 -1.532 3.903 0.130 1.00 1.99 H new ATOM 0 HD22 ASN B 40 -1.540 3.857 -1.636 1.00 1.99 H new ATOM 1866 N PHE B 41 3.364 6.692 -2.564 1.00 0.48 N ATOM 1867 CA PHE B 41 4.472 7.461 -2.014 1.00 0.55 C ATOM 1868 C PHE B 41 4.229 8.945 -2.231 1.00 0.60 C ATOM 1869 O PHE B 41 3.403 9.325 -3.051 1.00 0.76 O ATOM 1870 CB PHE B 41 5.795 7.044 -2.666 1.00 0.66 C ATOM 1871 CG PHE B 41 6.062 5.569 -2.602 1.00 0.67 C ATOM 1872 CD1 PHE B 41 6.174 4.928 -1.380 1.00 1.04 C ATOM 1873 CD2 PHE B 41 6.203 4.821 -3.761 1.00 1.12 C ATOM 1874 CE1 PHE B 41 6.425 3.571 -1.313 1.00 1.08 C ATOM 1875 CE2 PHE B 41 6.454 3.464 -3.699 1.00 1.26 C ATOM 1876 CZ PHE B 41 6.549 2.835 -2.489 1.00 0.93 C ATOM 0 H PHE B 41 3.148 6.903 -3.538 1.00 0.48 H new ATOM 0 HA PHE B 41 4.537 7.261 -0.944 1.00 0.55 H new ATOM 0 HB2 PHE B 41 5.790 7.358 -3.710 1.00 0.66 H new ATOM 0 HB3 PHE B 41 6.613 7.574 -2.178 1.00 0.66 H new ATOM 0 HD1 PHE B 41 6.064 5.496 -0.468 1.00 1.04 H new ATOM 0 HD2 PHE B 41 6.116 5.305 -4.723 1.00 1.12 H new ATOM 0 HE1 PHE B 41 6.524 3.084 -0.354 1.00 1.08 H new ATOM 0 HE2 PHE B 41 6.576 2.898 -4.610 1.00 1.26 H new ATOM 0 HZ PHE B 41 6.720 1.770 -2.445 1.00 0.93 H new ATOM 1886 N ASP B 42 4.925 9.779 -1.484 1.00 0.56 N ATOM 1887 CA ASP B 42 4.753 11.219 -1.602 1.00 0.59 C ATOM 1888 C ASP B 42 5.535 11.751 -2.801 1.00 0.54 C ATOM 1889 O ASP B 42 6.422 11.071 -3.319 1.00 0.51 O ATOM 1890 CB ASP B 42 5.165 11.902 -0.291 1.00 0.68 C ATOM 1891 CG ASP B 42 6.345 12.844 -0.420 1.00 1.22 C ATOM 1892 OD1 ASP B 42 6.139 14.017 -0.803 1.00 1.66 O ATOM 1893 OD2 ASP B 42 7.474 12.430 -0.091 1.00 2.03 O ATOM 0 H ASP B 42 5.614 9.489 -0.790 1.00 0.56 H new ATOM 0 HA ASP B 42 3.702 11.448 -1.778 1.00 0.59 H new ATOM 0 HB2 ASP B 42 4.312 12.458 0.098 1.00 0.68 H new ATOM 0 HB3 ASP B 42 5.407 11.134 0.444 1.00 0.68 H new ATOM 1898 N GLU B 43 5.108 12.897 -3.320 1.00 0.63 N ATOM 1899 CA GLU B 43 5.692 13.470 -4.532 1.00 0.67 C ATOM 1900 C GLU B 43 7.194 13.692 -4.370 1.00 0.56 C ATOM 1901 O GLU B 43 7.972 13.388 -5.273 1.00 0.60 O ATOM 1902 CB GLU B 43 4.999 14.791 -4.882 1.00 0.87 C ATOM 1903 CG GLU B 43 5.551 15.460 -6.129 1.00 1.09 C ATOM 1904 CD GLU B 43 4.677 15.237 -7.344 1.00 1.11 C ATOM 1905 OE1 GLU B 43 4.567 14.082 -7.800 1.00 1.63 O ATOM 1906 OE2 GLU B 43 4.104 16.218 -7.859 1.00 1.73 O ATOM 0 H GLU B 43 4.353 13.453 -2.918 1.00 0.63 H new ATOM 0 HA GLU B 43 5.540 12.761 -5.346 1.00 0.67 H new ATOM 0 HB2 GLU B 43 3.934 14.606 -5.021 1.00 0.87 H new ATOM 0 HB3 GLU B 43 5.096 15.476 -4.040 1.00 0.87 H new ATOM 0 HG2 GLU B 43 5.650 16.530 -5.949 1.00 1.09 H new ATOM 0 HG3 GLU B 43 6.551 15.076 -6.330 1.00 1.09 H new ATOM 1913 N GLU B 44 7.604 14.128 -3.184 1.00 0.52 N ATOM 1914 CA GLU B 44 9.019 14.300 -2.885 1.00 0.54 C ATOM 1915 C GLU B 44 9.724 12.956 -2.945 1.00 0.53 C ATOM 1916 O GLU B 44 10.743 12.807 -3.617 1.00 0.57 O ATOM 1917 CB GLU B 44 9.193 14.916 -1.501 1.00 0.62 C ATOM 1918 CG GLU B 44 10.576 15.492 -1.257 1.00 0.91 C ATOM 1919 CD GLU B 44 11.207 14.951 0.006 1.00 1.74 C ATOM 1920 OE1 GLU B 44 10.566 15.017 1.076 1.00 2.36 O ATOM 1921 OE2 GLU B 44 12.356 14.466 -0.059 1.00 2.52 O ATOM 0 H GLU B 44 6.977 14.368 -2.416 1.00 0.52 H new ATOM 0 HA GLU B 44 9.458 14.969 -3.625 1.00 0.54 H new ATOM 0 HB2 GLU B 44 8.452 15.705 -1.369 1.00 0.62 H new ATOM 0 HB3 GLU B 44 8.988 14.156 -0.747 1.00 0.62 H new ATOM 0 HG2 GLU B 44 11.218 15.264 -2.108 1.00 0.91 H new ATOM 0 HG3 GLU B 44 10.509 16.578 -1.191 1.00 0.91 H new ATOM 1928 N LYS B 45 9.115 11.966 -2.306 1.00 0.52 N ATOM 1929 CA LYS B 45 9.618 10.602 -2.316 1.00 0.56 C ATOM 1930 C LYS B 45 9.734 10.078 -3.743 1.00 0.55 C ATOM 1931 O LYS B 45 10.592 9.257 -4.044 1.00 0.59 O ATOM 1932 CB LYS B 45 8.689 9.691 -1.508 1.00 0.61 C ATOM 1933 CG LYS B 45 9.426 8.780 -0.539 1.00 0.75 C ATOM 1934 CD LYS B 45 9.687 9.471 0.788 1.00 0.96 C ATOM 1935 CE LYS B 45 8.924 8.808 1.920 1.00 1.30 C ATOM 1936 NZ LYS B 45 8.937 9.637 3.154 1.00 1.74 N ATOM 0 H LYS B 45 8.258 12.088 -1.766 1.00 0.52 H new ATOM 0 HA LYS B 45 10.609 10.602 -1.862 1.00 0.56 H new ATOM 0 HB2 LYS B 45 7.984 10.307 -0.950 1.00 0.61 H new ATOM 0 HB3 LYS B 45 8.104 9.080 -2.195 1.00 0.61 H new ATOM 0 HG2 LYS B 45 8.840 7.877 -0.371 1.00 0.75 H new ATOM 0 HG3 LYS B 45 10.373 8.468 -0.980 1.00 0.75 H new ATOM 0 HD2 LYS B 45 10.755 9.450 1.006 1.00 0.96 H new ATOM 0 HD3 LYS B 45 9.396 10.519 0.717 1.00 0.96 H new ATOM 0 HE2 LYS B 45 7.894 8.633 1.610 1.00 1.30 H new ATOM 0 HE3 LYS B 45 9.363 7.833 2.132 1.00 1.30 H new ATOM 0 HZ1 LYS B 45 8.406 9.151 3.904 1.00 1.74 H new ATOM 0 HZ2 LYS B 45 9.919 9.783 3.464 1.00 1.74 H new ATOM 0 HZ3 LYS B 45 8.495 10.558 2.958 1.00 1.74 H new ATOM 1950 N HIS B 46 8.868 10.564 -4.617 1.00 0.52 N ATOM 1951 CA HIS B 46 8.864 10.133 -6.008 1.00 0.55 C ATOM 1952 C HIS B 46 10.006 10.775 -6.792 1.00 0.56 C ATOM 1953 O HIS B 46 10.739 10.086 -7.500 1.00 0.58 O ATOM 1954 CB HIS B 46 7.531 10.467 -6.661 1.00 0.59 C ATOM 1955 CG HIS B 46 7.208 9.615 -7.851 1.00 0.70 C ATOM 1956 ND1 HIS B 46 6.723 10.135 -9.025 1.00 0.94 N ATOM 1957 CD2 HIS B 46 7.263 8.273 -8.033 1.00 0.81 C ATOM 1958 CE1 HIS B 46 6.479 9.157 -9.873 1.00 1.07 C ATOM 1959 NE2 HIS B 46 6.800 8.014 -9.299 1.00 0.99 N ATOM 0 H HIS B 46 8.157 11.259 -4.389 1.00 0.52 H new ATOM 0 HA HIS B 46 9.009 9.053 -6.022 1.00 0.55 H new ATOM 0 HB2 HIS B 46 6.738 10.357 -5.922 1.00 0.59 H new ATOM 0 HB3 HIS B 46 7.539 11.513 -6.967 1.00 0.59 H new ATOM 0 HD2 HIS B 46 7.607 7.543 -7.315 1.00 0.81 H new ATOM 0 HE1 HIS B 46 6.083 9.272 -10.871 1.00 1.07 H new ATOM 0 HE2 HIS B 46 6.718 7.091 -9.725 1.00 0.99 H new ATOM 1968 N THR B 47 10.168 12.085 -6.648 1.00 0.59 N ATOM 1969 CA THR B 47 11.244 12.799 -7.326 1.00 0.64 C ATOM 1970 C THR B 47 12.600 12.373 -6.769 1.00 0.62 C ATOM 1971 O THR B 47 13.530 12.090 -7.525 1.00 0.65 O ATOM 1972 CB THR B 47 11.080 14.324 -7.194 1.00 0.71 C ATOM 1973 OG1 THR B 47 9.688 14.661 -7.104 1.00 0.85 O ATOM 1974 CG2 THR B 47 11.700 15.042 -8.382 1.00 0.79 C ATOM 0 H THR B 47 9.569 12.674 -6.069 1.00 0.59 H new ATOM 0 HA THR B 47 11.193 12.542 -8.384 1.00 0.64 H new ATOM 0 HB THR B 47 11.594 14.644 -6.287 1.00 0.71 H new ATOM 0 HG1 THR B 47 9.591 15.632 -7.019 1.00 0.85 H new ATOM 0 HG21 THR B 47 11.571 16.118 -8.265 1.00 0.79 H new ATOM 0 HG22 THR B 47 12.763 14.808 -8.434 1.00 0.79 H new ATOM 0 HG23 THR B 47 11.211 14.716 -9.300 1.00 0.79 H new ATOM 1982 N ARG B 48 12.658 12.210 -5.452 1.00 0.59 N ATOM 1983 CA ARG B 48 13.853 11.712 -4.781 1.00 0.61 C ATOM 1984 C ARG B 48 14.200 10.321 -5.295 1.00 0.54 C ATOM 1985 O ARG B 48 15.362 10.010 -5.558 1.00 0.56 O ATOM 1986 CB ARG B 48 13.614 11.646 -3.275 1.00 0.66 C ATOM 1987 CG ARG B 48 14.589 12.465 -2.446 1.00 0.93 C ATOM 1988 CD ARG B 48 14.753 11.857 -1.063 1.00 1.46 C ATOM 1989 NE ARG B 48 15.652 12.627 -0.205 1.00 1.67 N ATOM 1990 CZ ARG B 48 16.982 12.567 -0.262 1.00 1.70 C ATOM 1991 NH1 ARG B 48 17.585 11.896 -1.236 1.00 1.82 N ATOM 1992 NH2 ARG B 48 17.707 13.202 0.649 1.00 2.26 N ATOM 0 H ARG B 48 11.883 12.418 -4.823 1.00 0.59 H new ATOM 0 HA ARG B 48 14.679 12.391 -4.990 1.00 0.61 H new ATOM 0 HB2 ARG B 48 12.601 11.989 -3.065 1.00 0.66 H new ATOM 0 HB3 ARG B 48 13.671 10.605 -2.956 1.00 0.66 H new ATOM 0 HG2 ARG B 48 15.556 12.508 -2.948 1.00 0.93 H new ATOM 0 HG3 ARG B 48 14.229 13.490 -2.359 1.00 0.93 H new ATOM 0 HD2 ARG B 48 13.776 11.785 -0.585 1.00 1.46 H new ATOM 0 HD3 ARG B 48 15.135 10.841 -1.161 1.00 1.46 H new ATOM 0 HE ARG B 48 15.233 13.252 0.484 1.00 1.67 H new ATOM 0 HH11 ARG B 48 17.030 11.421 -1.948 1.00 1.82 H new ATOM 0 HH12 ARG B 48 18.604 11.855 -1.272 1.00 1.82 H new ATOM 0 HH21 ARG B 48 17.246 13.733 1.388 1.00 2.26 H new ATOM 0 HH22 ARG B 48 18.725 13.160 0.610 1.00 2.26 H new ATOM 2006 N PHE B 49 13.169 9.500 -5.452 1.00 0.49 N ATOM 2007 CA PHE B 49 13.331 8.147 -5.957 1.00 0.45 C ATOM 2008 C PHE B 49 13.854 8.170 -7.383 1.00 0.47 C ATOM 2009 O PHE B 49 14.810 7.473 -7.708 1.00 0.48 O ATOM 2010 CB PHE B 49 12.000 7.396 -5.902 1.00 0.48 C ATOM 2011 CG PHE B 49 12.122 5.933 -6.206 1.00 0.38 C ATOM 2012 CD1 PHE B 49 13.106 5.164 -5.606 1.00 0.83 C ATOM 2013 CD2 PHE B 49 11.251 5.326 -7.094 1.00 1.06 C ATOM 2014 CE1 PHE B 49 13.219 3.818 -5.887 1.00 0.87 C ATOM 2015 CE2 PHE B 49 11.359 3.981 -7.376 1.00 1.27 C ATOM 2016 CZ PHE B 49 12.344 3.226 -6.772 1.00 0.85 C ATOM 0 H PHE B 49 12.205 9.753 -5.234 1.00 0.49 H new ATOM 0 HA PHE B 49 14.055 7.630 -5.327 1.00 0.45 H new ATOM 0 HB2 PHE B 49 11.565 7.517 -4.910 1.00 0.48 H new ATOM 0 HB3 PHE B 49 11.307 7.849 -6.611 1.00 0.48 H new ATOM 0 HD1 PHE B 49 13.792 5.624 -4.910 1.00 0.83 H new ATOM 0 HD2 PHE B 49 10.479 5.912 -7.571 1.00 1.06 H new ATOM 0 HE1 PHE B 49 13.992 3.230 -5.414 1.00 0.87 H new ATOM 0 HE2 PHE B 49 10.673 3.518 -8.070 1.00 1.27 H new ATOM 0 HZ PHE B 49 12.429 2.172 -6.993 1.00 0.85 H new ATOM 2026 N LYS B 50 13.242 9.000 -8.219 1.00 0.50 N ATOM 2027 CA LYS B 50 13.645 9.130 -9.614 1.00 0.54 C ATOM 2028 C LYS B 50 15.108 9.546 -9.721 1.00 0.53 C ATOM 2029 O LYS B 50 15.864 9.003 -10.533 1.00 0.52 O ATOM 2030 CB LYS B 50 12.756 10.149 -10.324 1.00 0.63 C ATOM 2031 CG LYS B 50 11.460 9.557 -10.852 1.00 0.91 C ATOM 2032 CD LYS B 50 10.591 10.611 -11.519 1.00 1.54 C ATOM 2033 CE LYS B 50 10.424 10.338 -13.006 1.00 2.02 C ATOM 2034 NZ LYS B 50 11.708 10.472 -13.745 1.00 2.55 N ATOM 0 H LYS B 50 12.459 9.597 -7.952 1.00 0.50 H new ATOM 0 HA LYS B 50 13.530 8.159 -10.095 1.00 0.54 H new ATOM 0 HB2 LYS B 50 12.522 10.959 -9.633 1.00 0.63 H new ATOM 0 HB3 LYS B 50 13.310 10.588 -11.153 1.00 0.63 H new ATOM 0 HG2 LYS B 50 11.686 8.766 -11.567 1.00 0.91 H new ATOM 0 HG3 LYS B 50 10.909 9.097 -10.032 1.00 0.91 H new ATOM 0 HD2 LYS B 50 9.612 10.633 -11.040 1.00 1.54 H new ATOM 0 HD3 LYS B 50 11.038 11.595 -11.377 1.00 1.54 H new ATOM 0 HE2 LYS B 50 10.027 9.333 -13.148 1.00 2.02 H new ATOM 0 HE3 LYS B 50 9.692 11.031 -13.422 1.00 2.02 H new ATOM 0 HZ1 LYS B 50 11.550 10.278 -14.754 1.00 2.55 H new ATOM 0 HZ2 LYS B 50 12.074 11.439 -13.632 1.00 2.55 H new ATOM 0 HZ3 LYS B 50 12.399 9.793 -13.366 1.00 2.55 H new ATOM 2048 N ALA B 51 15.516 10.462 -8.851 1.00 0.56 N ATOM 2049 CA ALA B 51 16.900 10.906 -8.791 1.00 0.61 C ATOM 2050 C ALA B 51 17.813 9.763 -8.367 1.00 0.57 C ATOM 2051 O ALA B 51 18.871 9.542 -8.962 1.00 0.58 O ATOM 2052 CB ALA B 51 17.042 12.079 -7.833 1.00 0.71 C ATOM 0 H ALA B 51 14.902 10.914 -8.173 1.00 0.56 H new ATOM 0 HA ALA B 51 17.197 11.233 -9.787 1.00 0.61 H new ATOM 0 HB1 ALA B 51 18.084 12.398 -7.800 1.00 0.71 H new ATOM 0 HB2 ALA B 51 16.420 12.906 -8.175 1.00 0.71 H new ATOM 0 HB3 ALA B 51 16.724 11.775 -6.836 1.00 0.71 H new ATOM 2058 N ALA B 52 17.373 9.008 -7.367 1.00 0.55 N ATOM 2059 CA ALA B 52 18.126 7.860 -6.886 1.00 0.59 C ATOM 2060 C ALA B 52 18.260 6.790 -7.969 1.00 0.51 C ATOM 2061 O ALA B 52 19.326 6.198 -8.134 1.00 0.54 O ATOM 2062 CB ALA B 52 17.465 7.285 -5.646 1.00 0.67 C ATOM 0 H ALA B 52 16.496 9.172 -6.873 1.00 0.55 H new ATOM 0 HA ALA B 52 19.130 8.196 -6.628 1.00 0.59 H new ATOM 0 HB1 ALA B 52 18.037 6.426 -5.294 1.00 0.67 H new ATOM 0 HB2 ALA B 52 17.434 8.045 -4.865 1.00 0.67 H new ATOM 0 HB3 ALA B 52 16.450 6.971 -5.887 1.00 0.67 H new ATOM 2068 N CYS B 53 17.190 6.582 -8.734 1.00 0.48 N ATOM 2069 CA CYS B 53 17.202 5.607 -9.823 1.00 0.53 C ATOM 2070 C CYS B 53 18.249 5.979 -10.864 1.00 0.50 C ATOM 2071 O CYS B 53 19.005 5.129 -11.329 1.00 0.56 O ATOM 2072 CB CYS B 53 15.830 5.520 -10.496 1.00 0.68 C ATOM 2073 SG CYS B 53 14.461 5.170 -9.375 1.00 1.15 S ATOM 0 H CYS B 53 16.304 7.075 -8.620 1.00 0.48 H new ATOM 0 HA CYS B 53 17.448 4.636 -9.393 1.00 0.53 H new ATOM 0 HB2 CYS B 53 15.631 6.462 -11.008 1.00 0.68 H new ATOM 0 HB3 CYS B 53 15.864 4.743 -11.260 1.00 0.68 H new ATOM 0 HG CYS B 53 14.454 6.044 -8.413 1.00 1.15 H new ATOM 2079 N ALA B 54 18.293 7.259 -11.213 1.00 0.51 N ATOM 2080 CA ALA B 54 19.239 7.750 -12.206 1.00 0.59 C ATOM 2081 C ALA B 54 20.674 7.606 -11.720 1.00 0.59 C ATOM 2082 O ALA B 54 21.592 7.384 -12.512 1.00 0.70 O ATOM 2083 CB ALA B 54 18.945 9.204 -12.539 1.00 0.69 C ATOM 0 H ALA B 54 17.683 7.977 -10.822 1.00 0.51 H new ATOM 0 HA ALA B 54 19.124 7.146 -13.106 1.00 0.59 H new ATOM 0 HB1 ALA B 54 19.659 9.559 -13.282 1.00 0.69 H new ATOM 0 HB2 ALA B 54 17.934 9.289 -12.938 1.00 0.69 H new ATOM 0 HB3 ALA B 54 19.031 9.809 -11.636 1.00 0.69 H new ATOM 2089 N ARG B 55 20.863 7.738 -10.415 1.00 0.55 N ATOM 2090 CA ARG B 55 22.187 7.658 -9.816 1.00 0.64 C ATOM 2091 C ARG B 55 22.704 6.220 -9.779 1.00 0.59 C ATOM 2092 O ARG B 55 23.891 5.987 -9.544 1.00 0.76 O ATOM 2093 CB ARG B 55 22.163 8.238 -8.401 1.00 0.72 C ATOM 2094 CG ARG B 55 23.150 9.375 -8.197 1.00 1.03 C ATOM 2095 CD ARG B 55 23.531 9.533 -6.732 1.00 1.37 C ATOM 2096 NE ARG B 55 22.889 10.695 -6.120 1.00 1.97 N ATOM 2097 CZ ARG B 55 23.495 11.528 -5.275 1.00 2.64 C ATOM 2098 NH1 ARG B 55 24.761 11.329 -4.919 1.00 2.89 N ATOM 2099 NH2 ARG B 55 22.825 12.557 -4.778 1.00 3.60 N ATOM 0 H ARG B 55 20.110 7.902 -9.747 1.00 0.55 H new ATOM 0 HA ARG B 55 22.865 8.243 -10.437 1.00 0.64 H new ATOM 0 HB2 ARG B 55 21.157 8.596 -8.180 1.00 0.72 H new ATOM 0 HB3 ARG B 55 22.383 7.444 -7.687 1.00 0.72 H new ATOM 0 HG2 ARG B 55 24.047 9.189 -8.788 1.00 1.03 H new ATOM 0 HG3 ARG B 55 22.714 10.305 -8.562 1.00 1.03 H new ATOM 0 HD2 ARG B 55 23.249 8.633 -6.185 1.00 1.37 H new ATOM 0 HD3 ARG B 55 24.613 9.631 -6.648 1.00 1.37 H new ATOM 0 HE ARG B 55 21.914 10.880 -6.355 1.00 1.97 H new ATOM 0 HH11 ARG B 55 25.277 10.533 -5.294 1.00 2.89 H new ATOM 0 HH12 ARG B 55 25.216 11.973 -4.271 1.00 2.89 H new ATOM 0 HH21 ARG B 55 21.852 12.708 -5.043 1.00 3.60 H new ATOM 0 HH22 ARG B 55 23.283 13.199 -4.131 1.00 3.60 H new ATOM 2113 N LYS B 56 21.808 5.255 -9.952 1.00 0.47 N ATOM 2114 CA LYS B 56 22.187 3.846 -9.889 1.00 0.52 C ATOM 2115 C LYS B 56 21.996 3.161 -11.241 1.00 0.51 C ATOM 2116 O LYS B 56 22.545 2.086 -11.482 1.00 0.60 O ATOM 2117 CB LYS B 56 21.373 3.122 -8.812 1.00 0.61 C ATOM 2118 CG LYS B 56 21.445 3.784 -7.446 1.00 0.74 C ATOM 2119 CD LYS B 56 22.563 3.199 -6.601 1.00 0.91 C ATOM 2120 CE LYS B 56 23.712 4.179 -6.446 1.00 1.62 C ATOM 2121 NZ LYS B 56 24.267 4.176 -5.068 1.00 1.85 N ATOM 0 H LYS B 56 20.818 5.420 -10.136 1.00 0.47 H new ATOM 0 HA LYS B 56 23.244 3.795 -9.629 1.00 0.52 H new ATOM 0 HB2 LYS B 56 20.331 3.073 -9.128 1.00 0.61 H new ATOM 0 HB3 LYS B 56 21.729 2.095 -8.728 1.00 0.61 H new ATOM 0 HG2 LYS B 56 21.603 4.856 -7.568 1.00 0.74 H new ATOM 0 HG3 LYS B 56 20.493 3.659 -6.929 1.00 0.74 H new ATOM 0 HD2 LYS B 56 22.176 2.932 -5.618 1.00 0.91 H new ATOM 0 HD3 LYS B 56 22.926 2.280 -7.061 1.00 0.91 H new ATOM 0 HE2 LYS B 56 24.501 3.927 -7.155 1.00 1.62 H new ATOM 0 HE3 LYS B 56 23.368 5.183 -6.696 1.00 1.62 H new ATOM 0 HZ1 LYS B 56 25.166 4.698 -5.055 1.00 1.85 H new ATOM 0 HZ2 LYS B 56 23.592 4.632 -4.421 1.00 1.85 H new ATOM 0 HZ3 LYS B 56 24.431 3.196 -4.762 1.00 1.85 H new ATOM 2135 N GLY B 57 21.182 3.767 -12.096 1.00 0.46 N ATOM 2136 CA GLY B 57 20.892 3.185 -13.391 1.00 0.51 C ATOM 2137 C GLY B 57 19.990 1.973 -13.275 1.00 0.59 C ATOM 2138 O GLY B 57 20.314 0.898 -13.782 1.00 0.75 O ATOM 0 H GLY B 57 20.716 4.656 -11.914 1.00 0.46 H new ATOM 0 HA2 GLY B 57 20.417 3.932 -14.027 1.00 0.51 H new ATOM 0 HA3 GLY B 57 21.824 2.899 -13.878 1.00 0.51 H new ATOM 2142 N THR B 58 18.914 2.118 -12.521 1.00 0.63 N ATOM 2143 CA THR B 58 18.024 1.003 -12.240 1.00 0.77 C ATOM 2144 C THR B 58 16.611 1.261 -12.750 1.00 0.62 C ATOM 2145 O THR B 58 16.116 2.388 -12.689 1.00 0.57 O ATOM 2146 CB THR B 58 17.960 0.750 -10.726 1.00 1.02 C ATOM 2147 OG1 THR B 58 19.093 1.351 -10.088 1.00 1.92 O ATOM 2148 CG2 THR B 58 17.927 -0.734 -10.414 1.00 0.92 C ATOM 0 H THR B 58 18.634 3.000 -12.091 1.00 0.63 H new ATOM 0 HA THR B 58 18.427 0.132 -12.757 1.00 0.77 H new ATOM 0 HB THR B 58 17.041 1.197 -10.347 1.00 1.02 H new ATOM 0 HG1 THR B 58 19.328 0.838 -9.287 1.00 1.92 H new ATOM 0 HG21 THR B 58 17.882 -0.878 -9.334 1.00 0.92 H new ATOM 0 HG22 THR B 58 17.049 -1.184 -10.877 1.00 0.92 H new ATOM 0 HG23 THR B 58 18.827 -1.208 -10.806 1.00 0.92 H new ATOM 2156 N SER B 59 15.943 0.196 -13.170 1.00 0.66 N ATOM 2157 CA SER B 59 14.549 0.265 -13.569 1.00 0.66 C ATOM 2158 C SER B 59 13.683 0.588 -12.355 1.00 0.62 C ATOM 2159 O SER B 59 13.927 0.052 -11.277 1.00 0.66 O ATOM 2160 CB SER B 59 14.143 -1.071 -14.180 1.00 0.78 C ATOM 2161 OG SER B 59 15.203 -2.013 -14.075 1.00 0.87 O ATOM 0 H SER B 59 16.352 -0.736 -13.243 1.00 0.66 H new ATOM 0 HA SER B 59 14.409 1.053 -14.309 1.00 0.66 H new ATOM 0 HB2 SER B 59 13.257 -1.454 -13.673 1.00 0.78 H new ATOM 0 HB3 SER B 59 13.876 -0.932 -15.228 1.00 0.78 H new ATOM 0 HG SER B 59 14.924 -2.865 -14.471 1.00 0.87 H new ATOM 2167 N ILE B 60 12.791 1.571 -12.506 1.00 0.66 N ATOM 2168 CA ILE B 60 12.006 2.113 -11.385 1.00 0.73 C ATOM 2169 C ILE B 60 11.508 1.029 -10.419 1.00 0.76 C ATOM 2170 O ILE B 60 11.687 1.152 -9.210 1.00 0.85 O ATOM 2171 CB ILE B 60 10.810 2.967 -11.886 1.00 0.85 C ATOM 2172 CG1 ILE B 60 9.882 3.336 -10.722 1.00 0.97 C ATOM 2173 CG2 ILE B 60 10.037 2.242 -12.977 1.00 1.00 C ATOM 2174 CD1 ILE B 60 9.532 4.808 -10.667 1.00 0.91 C ATOM 0 H ILE B 60 12.591 2.014 -13.403 1.00 0.66 H new ATOM 0 HA ILE B 60 12.691 2.753 -10.830 1.00 0.73 H new ATOM 0 HB ILE B 60 11.211 3.887 -12.312 1.00 0.85 H new ATOM 0 HG12 ILE B 60 8.963 2.756 -10.803 1.00 0.97 H new ATOM 0 HG13 ILE B 60 10.358 3.049 -9.784 1.00 0.97 H new ATOM 0 HG21 ILE B 60 9.205 2.864 -13.308 1.00 1.00 H new ATOM 0 HG22 ILE B 60 10.699 2.042 -13.820 1.00 1.00 H new ATOM 0 HG23 ILE B 60 9.652 1.300 -12.586 1.00 1.00 H new ATOM 0 HD11 ILE B 60 8.873 4.994 -9.819 1.00 0.91 H new ATOM 0 HD12 ILE B 60 10.444 5.395 -10.554 1.00 0.91 H new ATOM 0 HD13 ILE B 60 9.027 5.097 -11.589 1.00 0.91 H new ATOM 2186 N THR B 61 10.942 -0.049 -10.942 1.00 0.79 N ATOM 2187 CA THR B 61 10.443 -1.127 -10.096 1.00 0.85 C ATOM 2188 C THR B 61 11.582 -1.859 -9.372 1.00 0.77 C ATOM 2189 O THR B 61 11.465 -2.220 -8.193 1.00 0.75 O ATOM 2190 CB THR B 61 9.643 -2.138 -10.932 1.00 1.01 C ATOM 2191 OG1 THR B 61 8.922 -1.445 -11.960 1.00 1.12 O ATOM 2192 CG2 THR B 61 8.673 -2.921 -10.062 1.00 1.14 C ATOM 0 H THR B 61 10.816 -0.202 -11.943 1.00 0.79 H new ATOM 0 HA THR B 61 9.796 -0.672 -9.346 1.00 0.85 H new ATOM 0 HB THR B 61 10.342 -2.843 -11.382 1.00 1.01 H new ATOM 0 HG1 THR B 61 8.413 -2.090 -12.494 1.00 1.12 H new ATOM 0 HG21 THR B 61 8.120 -3.629 -10.680 1.00 1.14 H new ATOM 0 HG22 THR B 61 9.227 -3.463 -9.296 1.00 1.14 H new ATOM 0 HG23 THR B 61 7.975 -2.233 -9.585 1.00 1.14 H new ATOM 2200 N ASP B 62 12.684 -2.070 -10.078 1.00 0.74 N ATOM 2201 CA ASP B 62 13.829 -2.789 -9.526 1.00 0.73 C ATOM 2202 C ASP B 62 14.487 -2.014 -8.386 1.00 0.62 C ATOM 2203 O ASP B 62 15.002 -2.611 -7.440 1.00 0.61 O ATOM 2204 CB ASP B 62 14.857 -3.083 -10.620 1.00 0.82 C ATOM 2205 CG ASP B 62 15.718 -4.286 -10.292 1.00 1.16 C ATOM 2206 OD1 ASP B 62 15.331 -5.417 -10.650 1.00 1.68 O ATOM 2207 OD2 ASP B 62 16.796 -4.107 -9.688 1.00 1.81 O ATOM 0 H ASP B 62 12.812 -1.753 -11.039 1.00 0.74 H new ATOM 0 HA ASP B 62 13.457 -3.731 -9.122 1.00 0.73 H new ATOM 0 HB2 ASP B 62 14.340 -3.255 -11.564 1.00 0.82 H new ATOM 0 HB3 ASP B 62 15.495 -2.210 -10.760 1.00 0.82 H new ATOM 2212 N VAL B 63 14.454 -0.685 -8.456 1.00 0.60 N ATOM 2213 CA VAL B 63 15.041 0.131 -7.393 1.00 0.57 C ATOM 2214 C VAL B 63 14.175 0.093 -6.144 1.00 0.56 C ATOM 2215 O VAL B 63 14.688 0.167 -5.030 1.00 0.59 O ATOM 2216 CB VAL B 63 15.283 1.603 -7.791 1.00 0.62 C ATOM 2217 CG1 VAL B 63 16.756 1.946 -7.660 1.00 0.81 C ATOM 2218 CG2 VAL B 63 14.801 1.891 -9.195 1.00 1.01 C ATOM 0 H VAL B 63 14.036 -0.157 -9.222 1.00 0.60 H new ATOM 0 HA VAL B 63 16.017 -0.313 -7.198 1.00 0.57 H new ATOM 0 HB VAL B 63 14.706 2.229 -7.110 1.00 0.62 H new ATOM 0 HG11 VAL B 63 16.914 2.987 -7.943 1.00 0.81 H new ATOM 0 HG12 VAL B 63 17.073 1.799 -6.628 1.00 0.81 H new ATOM 0 HG13 VAL B 63 17.340 1.299 -8.315 1.00 0.81 H new ATOM 0 HG21 VAL B 63 14.989 2.937 -9.437 1.00 1.01 H new ATOM 0 HG22 VAL B 63 15.334 1.254 -9.901 1.00 1.01 H new ATOM 0 HG23 VAL B 63 13.732 1.690 -9.261 1.00 1.01 H new ATOM 2228 N VAL B 64 12.879 -0.152 -6.319 1.00 0.55 N ATOM 2229 CA VAL B 64 12.004 -0.340 -5.171 1.00 0.56 C ATOM 2230 C VAL B 64 12.388 -1.629 -4.455 1.00 0.55 C ATOM 2231 O VAL B 64 12.558 -1.649 -3.237 1.00 0.57 O ATOM 2232 CB VAL B 64 10.508 -0.385 -5.547 1.00 0.57 C ATOM 2233 CG1 VAL B 64 9.650 -0.108 -4.322 1.00 0.73 C ATOM 2234 CG2 VAL B 64 10.185 0.608 -6.650 1.00 0.67 C ATOM 0 H VAL B 64 12.420 -0.224 -7.227 1.00 0.55 H new ATOM 0 HA VAL B 64 12.139 0.524 -4.520 1.00 0.56 H new ATOM 0 HB VAL B 64 10.285 -1.385 -5.920 1.00 0.57 H new ATOM 0 HG11 VAL B 64 8.597 -0.142 -4.600 1.00 0.73 H new ATOM 0 HG12 VAL B 64 9.849 -0.862 -3.560 1.00 0.73 H new ATOM 0 HG13 VAL B 64 9.889 0.879 -3.926 1.00 0.73 H new ATOM 0 HG21 VAL B 64 9.124 0.551 -6.891 1.00 0.67 H new ATOM 0 HG22 VAL B 64 10.427 1.616 -6.314 1.00 0.67 H new ATOM 0 HG23 VAL B 64 10.772 0.370 -7.537 1.00 0.67 H new ATOM 2244 N ASN B 65 12.681 -2.657 -5.243 1.00 0.55 N ATOM 2245 CA ASN B 65 13.201 -3.909 -4.699 1.00 0.56 C ATOM 2246 C ASN B 65 14.530 -3.666 -3.977 1.00 0.56 C ATOM 2247 O ASN B 65 14.823 -4.296 -2.961 1.00 0.56 O ATOM 2248 CB ASN B 65 13.395 -4.938 -5.820 1.00 0.58 C ATOM 2249 CG ASN B 65 14.060 -6.217 -5.335 1.00 0.77 C ATOM 2250 OD1 ASN B 65 13.503 -6.953 -4.522 1.00 0.86 O ATOM 2251 ND2 ASN B 65 15.259 -6.489 -5.834 1.00 1.46 N ATOM 0 H ASN B 65 12.569 -2.650 -6.257 1.00 0.55 H new ATOM 0 HA ASN B 65 12.478 -4.300 -3.983 1.00 0.56 H new ATOM 0 HB2 ASN B 65 12.426 -5.180 -6.257 1.00 0.58 H new ATOM 0 HB3 ASN B 65 14.000 -4.497 -6.612 1.00 0.58 H new ATOM 0 HD21 ASN B 65 15.752 -7.334 -5.545 1.00 1.46 H new ATOM 0 HD22 ASN B 65 15.688 -5.853 -6.507 1.00 1.46 H new ATOM 2258 N GLN B 66 15.300 -2.703 -4.480 1.00 0.58 N ATOM 2259 CA GLN B 66 16.588 -2.345 -3.891 1.00 0.60 C ATOM 2260 C GLN B 66 16.426 -1.772 -2.483 1.00 0.58 C ATOM 2261 O GLN B 66 17.173 -2.141 -1.573 1.00 0.61 O ATOM 2262 CB GLN B 66 17.320 -1.338 -4.784 1.00 0.65 C ATOM 2263 CG GLN B 66 18.832 -1.355 -4.625 1.00 0.84 C ATOM 2264 CD GLN B 66 19.388 -2.752 -4.432 1.00 1.25 C ATOM 2265 OE1 GLN B 66 19.854 -3.100 -3.349 1.00 2.01 O ATOM 2266 NE2 GLN B 66 19.344 -3.561 -5.479 1.00 1.70 N ATOM 0 H GLN B 66 15.051 -2.152 -5.302 1.00 0.58 H new ATOM 0 HA GLN B 66 17.179 -3.258 -3.816 1.00 0.60 H new ATOM 0 HB2 GLN B 66 17.072 -1.544 -5.825 1.00 0.65 H new ATOM 0 HB3 GLN B 66 16.953 -0.336 -4.561 1.00 0.65 H new ATOM 0 HG2 GLN B 66 19.290 -0.905 -5.506 1.00 0.84 H new ATOM 0 HG3 GLN B 66 19.110 -0.737 -3.771 1.00 0.84 H new ATOM 0 HE21 GLN B 66 18.949 -3.233 -6.360 1.00 1.70 H new ATOM 0 HE22 GLN B 66 19.705 -4.512 -5.404 1.00 1.70 H new ATOM 2275 N LEU B 67 15.450 -0.883 -2.289 1.00 0.55 N ATOM 2276 CA LEU B 67 15.226 -0.307 -0.964 1.00 0.55 C ATOM 2277 C LEU B 67 14.808 -1.394 0.015 1.00 0.50 C ATOM 2278 O LEU B 67 15.312 -1.454 1.137 1.00 0.50 O ATOM 2279 CB LEU B 67 14.166 0.801 -0.964 1.00 0.57 C ATOM 2280 CG LEU B 67 13.629 1.240 -2.324 1.00 0.64 C ATOM 2281 CD1 LEU B 67 12.113 1.266 -2.298 1.00 0.97 C ATOM 2282 CD2 LEU B 67 14.165 2.612 -2.693 1.00 0.67 C ATOM 0 H LEU B 67 14.815 -0.552 -3.016 1.00 0.55 H new ATOM 0 HA LEU B 67 16.171 0.142 -0.658 1.00 0.55 H new ATOM 0 HB2 LEU B 67 13.324 0.466 -0.359 1.00 0.57 H new ATOM 0 HB3 LEU B 67 14.588 1.675 -0.467 1.00 0.57 H new ATOM 0 HG LEU B 67 13.962 0.524 -3.076 1.00 0.64 H new ATOM 0 HD11 LEU B 67 11.738 1.580 -3.272 1.00 0.97 H new ATOM 0 HD12 LEU B 67 11.736 0.269 -2.068 1.00 0.97 H new ATOM 0 HD13 LEU B 67 11.774 1.967 -1.535 1.00 0.97 H new ATOM 0 HD21 LEU B 67 13.771 2.907 -3.665 1.00 0.67 H new ATOM 0 HD22 LEU B 67 13.856 3.338 -1.941 1.00 0.67 H new ATOM 0 HD23 LEU B 67 15.254 2.577 -2.738 1.00 0.67 H new ATOM 2294 N VAL B 68 13.923 -2.284 -0.428 1.00 0.48 N ATOM 2295 CA VAL B 68 13.477 -3.389 0.415 1.00 0.45 C ATOM 2296 C VAL B 68 14.639 -4.308 0.755 1.00 0.42 C ATOM 2297 O VAL B 68 14.726 -4.819 1.866 1.00 0.40 O ATOM 2298 CB VAL B 68 12.364 -4.237 -0.241 1.00 0.46 C ATOM 2299 CG1 VAL B 68 11.610 -5.019 0.821 1.00 0.99 C ATOM 2300 CG2 VAL B 68 11.406 -3.369 -1.039 1.00 1.07 C ATOM 0 H VAL B 68 13.504 -2.262 -1.358 1.00 0.48 H new ATOM 0 HA VAL B 68 13.072 -2.930 1.317 1.00 0.45 H new ATOM 0 HB VAL B 68 12.834 -4.936 -0.932 1.00 0.46 H new ATOM 0 HG11 VAL B 68 10.828 -5.613 0.349 1.00 0.99 H new ATOM 0 HG12 VAL B 68 12.301 -5.679 1.346 1.00 0.99 H new ATOM 0 HG13 VAL B 68 11.160 -4.326 1.532 1.00 0.99 H new ATOM 0 HG21 VAL B 68 10.635 -3.996 -1.488 1.00 1.07 H new ATOM 0 HG22 VAL B 68 10.940 -2.638 -0.378 1.00 1.07 H new ATOM 0 HG23 VAL B 68 11.954 -2.850 -1.825 1.00 1.07 H new ATOM 2310 N ASP B 69 15.532 -4.507 -0.206 1.00 0.47 N ATOM 2311 CA ASP B 69 16.698 -5.363 -0.004 1.00 0.49 C ATOM 2312 C ASP B 69 17.546 -4.856 1.147 1.00 0.48 C ATOM 2313 O ASP B 69 17.856 -5.599 2.084 1.00 0.49 O ATOM 2314 CB ASP B 69 17.552 -5.426 -1.268 1.00 0.60 C ATOM 2315 CG ASP B 69 18.363 -6.707 -1.340 1.00 0.84 C ATOM 2316 OD1 ASP B 69 17.780 -7.799 -1.182 1.00 1.09 O ATOM 2317 OD2 ASP B 69 19.589 -6.630 -1.569 1.00 1.46 O ATOM 0 H ASP B 69 15.473 -4.088 -1.134 1.00 0.47 H new ATOM 0 HA ASP B 69 16.334 -6.363 0.232 1.00 0.49 H new ATOM 0 HB2 ASP B 69 16.908 -5.354 -2.145 1.00 0.60 H new ATOM 0 HB3 ASP B 69 18.224 -4.569 -1.295 1.00 0.60 H new ATOM 2322 N ASN B 70 17.859 -3.571 1.094 1.00 0.55 N ATOM 2323 CA ASN B 70 18.642 -2.923 2.137 1.00 0.61 C ATOM 2324 C ASN B 70 17.892 -2.949 3.461 1.00 0.56 C ATOM 2325 O ASN B 70 18.443 -3.331 4.492 1.00 0.60 O ATOM 2326 CB ASN B 70 18.951 -1.475 1.746 1.00 0.74 C ATOM 2327 CG ASN B 70 20.081 -1.365 0.742 1.00 1.37 C ATOM 2328 OD1 ASN B 70 21.226 -1.091 1.106 1.00 1.88 O ATOM 2329 ND2 ASN B 70 19.771 -1.565 -0.530 1.00 2.19 N ATOM 0 H ASN B 70 17.581 -2.951 0.334 1.00 0.55 H new ATOM 0 HA ASN B 70 19.578 -3.469 2.252 1.00 0.61 H new ATOM 0 HB2 ASN B 70 18.054 -1.017 1.328 1.00 0.74 H new ATOM 0 HB3 ASN B 70 19.210 -0.909 2.641 1.00 0.74 H new ATOM 0 HD21 ASN B 70 20.492 -1.494 -1.248 1.00 2.19 H new ATOM 0 HD22 ASN B 70 18.811 -1.790 -0.792 1.00 2.19 H new ATOM 2336 N TRP B 71 16.634 -2.539 3.422 1.00 0.54 N ATOM 2337 CA TRP B 71 15.795 -2.487 4.610 1.00 0.54 C ATOM 2338 C TRP B 71 15.680 -3.854 5.276 1.00 0.47 C ATOM 2339 O TRP B 71 15.868 -3.989 6.481 1.00 0.53 O ATOM 2340 CB TRP B 71 14.400 -1.981 4.231 1.00 0.57 C ATOM 2341 CG TRP B 71 13.504 -1.729 5.406 1.00 0.64 C ATOM 2342 CD1 TRP B 71 13.372 -0.562 6.091 1.00 0.81 C ATOM 2343 CD2 TRP B 71 12.605 -2.663 6.022 1.00 0.61 C ATOM 2344 NE1 TRP B 71 12.464 -0.710 7.108 1.00 0.86 N ATOM 2345 CE2 TRP B 71 11.979 -1.989 7.086 1.00 0.75 C ATOM 2346 CE3 TRP B 71 12.274 -4.002 5.782 1.00 0.53 C ATOM 2347 CZ2 TRP B 71 11.044 -2.606 7.911 1.00 0.80 C ATOM 2348 CZ3 TRP B 71 11.343 -4.612 6.599 1.00 0.62 C ATOM 2349 CH2 TRP B 71 10.737 -3.915 7.652 1.00 0.74 C ATOM 0 H TRP B 71 16.166 -2.234 2.569 1.00 0.54 H new ATOM 0 HA TRP B 71 16.260 -1.804 5.321 1.00 0.54 H new ATOM 0 HB2 TRP B 71 14.502 -1.058 3.660 1.00 0.57 H new ATOM 0 HB3 TRP B 71 13.926 -2.711 3.575 1.00 0.57 H new ATOM 0 HD1 TRP B 71 13.905 0.350 5.867 1.00 0.81 H new ATOM 0 HE1 TRP B 71 12.194 0.015 7.773 1.00 0.86 H new ATOM 0 HE3 TRP B 71 12.738 -4.547 4.973 1.00 0.53 H new ATOM 0 HZ2 TRP B 71 10.577 -2.072 8.726 1.00 0.80 H new ATOM 0 HZ3 TRP B 71 11.078 -5.644 6.423 1.00 0.62 H new ATOM 0 HH2 TRP B 71 10.012 -4.421 8.273 1.00 0.74 H new ATOM 2360 N LEU B 72 15.245 -4.835 4.503 1.00 0.42 N ATOM 2361 CA LEU B 72 14.919 -6.146 5.037 1.00 0.44 C ATOM 2362 C LEU B 72 16.116 -6.842 5.666 1.00 0.55 C ATOM 2363 O LEU B 72 15.997 -7.426 6.740 1.00 0.65 O ATOM 2364 CB LEU B 72 14.339 -7.028 3.937 1.00 0.50 C ATOM 2365 CG LEU B 72 13.198 -7.934 4.379 1.00 0.47 C ATOM 2366 CD1 LEU B 72 11.868 -7.364 3.921 1.00 0.58 C ATOM 2367 CD2 LEU B 72 13.397 -9.338 3.838 1.00 0.60 C ATOM 0 H LEU B 72 15.109 -4.746 3.496 1.00 0.42 H new ATOM 0 HA LEU B 72 14.183 -5.990 5.825 1.00 0.44 H new ATOM 0 HB2 LEU B 72 13.984 -6.389 3.128 1.00 0.50 H new ATOM 0 HB3 LEU B 72 15.138 -7.647 3.528 1.00 0.50 H new ATOM 0 HG LEU B 72 13.193 -7.986 5.468 1.00 0.47 H new ATOM 0 HD11 LEU B 72 11.060 -8.021 4.243 1.00 0.58 H new ATOM 0 HD12 LEU B 72 11.727 -6.375 4.356 1.00 0.58 H new ATOM 0 HD13 LEU B 72 11.861 -7.286 2.834 1.00 0.58 H new ATOM 0 HD21 LEU B 72 12.573 -9.973 4.163 1.00 0.60 H new ATOM 0 HD22 LEU B 72 13.424 -9.308 2.749 1.00 0.60 H new ATOM 0 HD23 LEU B 72 14.337 -9.743 4.213 1.00 0.60 H new ATOM 2379 N LYS B 73 17.215 -6.924 4.933 1.00 0.63 N ATOM 2380 CA LYS B 73 18.331 -7.750 5.371 1.00 0.83 C ATOM 2381 C LYS B 73 19.245 -7.022 6.355 1.00 0.97 C ATOM 2382 O LYS B 73 19.994 -7.660 7.094 1.00 1.13 O ATOM 2383 CB LYS B 73 19.126 -8.240 4.164 1.00 0.96 C ATOM 2384 CG LYS B 73 18.253 -8.811 3.056 1.00 0.92 C ATOM 2385 CD LYS B 73 18.926 -8.673 1.705 1.00 1.16 C ATOM 2386 CE LYS B 73 19.236 -10.025 1.088 1.00 1.41 C ATOM 2387 NZ LYS B 73 19.152 -9.980 -0.394 1.00 1.79 N ATOM 0 H LYS B 73 17.359 -6.439 4.047 1.00 0.63 H new ATOM 0 HA LYS B 73 17.913 -8.606 5.901 1.00 0.83 H new ATOM 0 HB2 LYS B 73 19.712 -7.413 3.764 1.00 0.96 H new ATOM 0 HB3 LYS B 73 19.833 -9.003 4.489 1.00 0.96 H new ATOM 0 HG2 LYS B 73 18.046 -9.862 3.257 1.00 0.92 H new ATOM 0 HG3 LYS B 73 17.293 -8.294 3.042 1.00 0.92 H new ATOM 0 HD2 LYS B 73 18.280 -8.107 1.034 1.00 1.16 H new ATOM 0 HD3 LYS B 73 19.849 -8.104 1.815 1.00 1.16 H new ATOM 0 HE2 LYS B 73 20.235 -10.342 1.387 1.00 1.41 H new ATOM 0 HE3 LYS B 73 18.538 -10.769 1.470 1.00 1.41 H new ATOM 0 HZ1 LYS B 73 19.030 -10.944 -0.764 1.00 1.79 H new ATOM 0 HZ2 LYS B 73 18.340 -9.395 -0.678 1.00 1.79 H new ATOM 0 HZ3 LYS B 73 20.026 -9.569 -0.779 1.00 1.79 H new ATOM 2401 N GLU B 74 19.215 -5.695 6.343 1.00 0.99 N ATOM 2402 CA GLU B 74 20.085 -4.919 7.221 1.00 1.22 C ATOM 2403 C GLU B 74 19.392 -4.574 8.538 1.00 1.27 C ATOM 2404 O GLU B 74 20.036 -4.534 9.590 1.00 1.50 O ATOM 2405 CB GLU B 74 20.535 -3.636 6.524 1.00 1.37 C ATOM 2406 CG GLU B 74 22.042 -3.487 6.436 1.00 1.81 C ATOM 2407 CD GLU B 74 22.559 -2.356 7.297 1.00 2.23 C ATOM 2408 OE1 GLU B 74 21.974 -1.256 7.252 1.00 2.51 O ATOM 2409 OE2 GLU B 74 23.562 -2.556 8.017 1.00 2.78 O ATOM 0 H GLU B 74 18.606 -5.138 5.743 1.00 0.99 H new ATOM 0 HA GLU B 74 20.956 -5.535 7.447 1.00 1.22 H new ATOM 0 HB2 GLU B 74 20.117 -3.614 5.518 1.00 1.37 H new ATOM 0 HB3 GLU B 74 20.125 -2.779 7.059 1.00 1.37 H new ATOM 0 HG2 GLU B 74 22.515 -4.420 6.743 1.00 1.81 H new ATOM 0 HG3 GLU B 74 22.327 -3.311 5.399 1.00 1.81 H new ATOM 2416 N ASN B 75 18.112 -4.231 8.463 1.00 1.11 N ATOM 2417 CA ASN B 75 17.373 -3.767 9.638 1.00 1.21 C ATOM 2418 C ASN B 75 16.870 -4.929 10.493 1.00 1.14 C ATOM 2419 O ASN B 75 16.747 -4.804 11.714 1.00 1.29 O ATOM 2420 CB ASN B 75 16.204 -2.863 9.207 1.00 1.28 C ATOM 2421 CG ASN B 75 14.838 -3.372 9.638 1.00 1.61 C ATOM 2422 OD1 ASN B 75 14.343 -3.028 10.708 1.00 1.88 O ATOM 2423 ND2 ASN B 75 14.210 -4.181 8.799 1.00 1.97 N ATOM 0 H ASN B 75 17.562 -4.264 7.604 1.00 1.11 H new ATOM 0 HA ASN B 75 18.061 -3.189 10.255 1.00 1.21 H new ATOM 0 HB2 ASN B 75 16.357 -1.867 9.622 1.00 1.28 H new ATOM 0 HB3 ASN B 75 16.217 -2.762 8.122 1.00 1.28 H new ATOM 0 HD21 ASN B 75 13.284 -4.540 9.033 1.00 1.97 H new ATOM 0 HD22 ASN B 75 14.652 -4.446 7.919 1.00 1.97 H new ATOM 2430 N GLU B 76 16.591 -6.059 9.862 1.00 1.01 N ATOM 2431 CA GLU B 76 16.100 -7.223 10.585 1.00 1.08 C ATOM 2432 C GLU B 76 17.261 -8.088 11.053 1.00 1.38 C ATOM 2433 O GLU B 76 18.337 -8.023 10.434 1.00 1.93 O ATOM 2434 CB GLU B 76 15.144 -8.032 9.711 1.00 1.36 C ATOM 2435 CG GLU B 76 13.713 -8.041 10.222 1.00 1.88 C ATOM 2436 CD GLU B 76 13.449 -9.173 11.194 1.00 2.20 C ATOM 2437 OE1 GLU B 76 13.376 -10.339 10.749 1.00 2.52 O ATOM 2438 OE2 GLU B 76 13.318 -8.907 12.410 1.00 2.67 O ATOM 2439 OXT GLU B 76 17.102 -8.806 12.068 1.00 1.90 O ATOM 0 H GLU B 76 16.695 -6.195 8.857 1.00 1.01 H new ATOM 0 HA GLU B 76 15.553 -6.879 11.463 1.00 1.08 H new ATOM 0 HB2 GLU B 76 15.157 -7.625 8.700 1.00 1.36 H new ATOM 0 HB3 GLU B 76 15.504 -9.059 9.647 1.00 1.36 H new ATOM 0 HG2 GLU B 76 13.499 -7.090 10.710 1.00 1.88 H new ATOM 0 HG3 GLU B 76 13.030 -8.126 9.377 1.00 1.88 H new TER 2446 GLU B 76