USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 463 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 Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 19 THR OG1 : rot 180:sc= -1.33 USER MOD Single : A 28 ASN : amide:sc= -0.0352 X(o=-0.035,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= -1.91! K(o=-1.9!,f=-0.81) USER MOD Single : A 48 MET CE :methyl -176:sc= -1.42 (180deg=-1.54) USER MOD Single : A 52 ASN : amide:sc=-0.00177 X(o=-0.0018,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -172:sc=-0.00589 (180deg=-0.0768) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 66.738 23.599 28.960 1.00 30.78 N ATOM 2 CA VAL A 2 65.554 22.862 29.481 1.00 30.87 C ATOM 3 C VAL A 2 65.491 21.449 28.905 1.00 30.54 C ATOM 4 O VAL A 2 65.881 21.218 27.762 1.00 30.95 O ATOM 5 CB VAL A 2 64.238 23.611 29.164 1.00 30.89 C ATOM 6 CG1 VAL A 2 64.006 23.696 27.661 1.00 31.43 C ATOM 7 CG2 VAL A 2 63.057 22.943 29.856 1.00 33.03 C ATOM 0 HA VAL A 2 65.666 22.799 30.563 1.00 30.87 H new ATOM 0 HB VAL A 2 64.328 24.627 29.548 1.00 30.89 H new ATOM 0 HG11 VAL A 2 63.074 24.227 27.466 1.00 31.43 H new ATOM 0 HG12 VAL A 2 64.833 24.231 27.195 1.00 31.43 H new ATOM 0 HG13 VAL A 2 63.944 22.690 27.245 1.00 31.43 H new ATOM 0 HG21 VAL A 2 62.142 23.486 29.619 1.00 33.03 H new ATOM 0 HG22 VAL A 2 62.968 21.913 29.510 1.00 33.03 H new ATOM 0 HG23 VAL A 2 63.215 22.951 30.934 1.00 33.03 H new ATOM 19 N ASP A 3 64.987 20.509 29.704 1.00 30.12 N ATOM 20 CA ASP A 3 64.885 19.114 29.282 1.00 29.72 C ATOM 21 C ASP A 3 63.537 18.826 28.621 1.00 29.67 C ATOM 22 O ASP A 3 62.561 19.550 28.824 1.00 29.66 O ATOM 23 CB ASP A 3 65.110 18.174 30.473 1.00 29.23 C ATOM 24 CG ASP A 3 64.180 18.458 31.638 1.00 29.67 C ATOM 25 OD1 ASP A 3 64.444 19.421 32.390 1.00 29.24 O ATOM 26 OD2 ASP A 3 63.191 17.718 31.800 1.00 29.71 O ATOM 0 H ASP A 3 64.643 20.689 30.647 1.00 30.12 H new ATOM 0 HA ASP A 3 65.664 18.934 28.541 1.00 29.72 H new ATOM 0 HB2 ASP A 3 64.970 17.143 30.147 1.00 29.23 H new ATOM 0 HB3 ASP A 3 66.143 18.264 30.810 1.00 29.23 H new ATOM 31 N TYR A 4 63.502 17.753 27.832 1.00 29.32 N ATOM 32 CA TYR A 4 62.291 17.346 27.119 1.00 29.16 C ATOM 33 C TYR A 4 62.012 15.861 27.316 1.00 29.47 C ATOM 34 O TYR A 4 62.927 15.073 27.557 1.00 30.11 O ATOM 35 CB TYR A 4 62.425 17.639 25.621 1.00 29.28 C ATOM 36 CG TYR A 4 62.055 19.054 25.220 1.00 28.49 C ATOM 37 CD1 TYR A 4 62.716 20.152 25.757 1.00 28.74 C ATOM 38 CD2 TYR A 4 61.044 19.287 24.295 1.00 26.60 C ATOM 39 CE1 TYR A 4 62.378 21.439 25.386 1.00 29.38 C ATOM 40 CE2 TYR A 4 60.702 20.571 23.918 1.00 26.79 C ATOM 41 CZ TYR A 4 61.371 21.643 24.466 1.00 28.64 C ATOM 42 OH TYR A 4 61.031 22.924 24.093 1.00 30.05 O ATOM 0 H TYR A 4 64.305 17.145 27.669 1.00 29.32 H new ATOM 0 HA TYR A 4 61.460 17.920 27.529 1.00 29.16 H new ATOM 0 HB2 TYR A 4 63.454 17.446 25.317 1.00 29.28 H new ATOM 0 HB3 TYR A 4 61.794 16.942 25.070 1.00 29.28 H new ATOM 0 HD1 TYR A 4 63.507 19.997 26.476 1.00 28.74 H new ATOM 0 HD2 TYR A 4 60.517 18.449 23.863 1.00 26.60 H new ATOM 0 HE1 TYR A 4 62.900 22.282 25.815 1.00 29.38 H new ATOM 0 HE2 TYR A 4 59.914 20.734 23.197 1.00 26.79 H new ATOM 0 HH TYR A 4 60.304 22.892 23.437 1.00 30.05 H new ATOM 52 N ILE A 5 60.740 15.490 27.214 1.00 29.15 N ATOM 53 CA ILE A 5 60.333 14.099 27.352 1.00 29.28 C ATOM 54 C ILE A 5 59.847 13.573 26.008 1.00 29.81 C ATOM 55 O ILE A 5 59.129 14.263 25.284 1.00 30.57 O ATOM 56 CB ILE A 5 59.228 13.913 28.422 1.00 28.41 C ATOM 57 CG1 ILE A 5 58.914 12.424 28.608 1.00 28.15 C ATOM 58 CG2 ILE A 5 57.969 14.687 28.051 1.00 28.40 C ATOM 59 CD1 ILE A 5 57.950 12.140 29.741 1.00 27.84 C ATOM 0 H ILE A 5 59.972 16.137 27.036 1.00 29.15 H new ATOM 0 HA ILE A 5 61.203 13.533 27.683 1.00 29.28 H new ATOM 0 HB ILE A 5 59.597 14.312 29.367 1.00 28.41 H new ATOM 0 HG12 ILE A 5 58.496 12.032 27.681 1.00 28.15 H new ATOM 0 HG13 ILE A 5 59.844 11.886 28.791 1.00 28.15 H new ATOM 0 HG21 ILE A 5 57.211 14.538 28.820 1.00 28.40 H new ATOM 0 HG22 ILE A 5 58.204 15.749 27.974 1.00 28.40 H new ATOM 0 HG23 ILE A 5 57.591 14.329 27.094 1.00 28.40 H new ATOM 0 HD11 ILE A 5 57.777 11.066 29.811 1.00 27.84 H new ATOM 0 HD12 ILE A 5 58.374 12.501 30.678 1.00 27.84 H new ATOM 0 HD13 ILE A 5 57.005 12.648 29.551 1.00 27.84 H new ATOM 71 N VAL A 6 60.235 12.348 25.678 1.00 29.56 N ATOM 72 CA VAL A 6 59.851 11.748 24.408 1.00 29.47 C ATOM 73 C VAL A 6 58.436 11.187 24.482 1.00 29.89 C ATOM 74 O VAL A 6 58.140 10.333 25.317 1.00 29.99 O ATOM 75 CB VAL A 6 60.821 10.624 23.988 1.00 30.29 C ATOM 76 CG1 VAL A 6 60.495 10.131 22.586 1.00 31.15 C ATOM 77 CG2 VAL A 6 62.265 11.097 24.071 1.00 29.36 C ATOM 0 H VAL A 6 60.814 11.752 26.270 1.00 29.56 H new ATOM 0 HA VAL A 6 59.893 12.539 23.659 1.00 29.47 H new ATOM 0 HB VAL A 6 60.698 9.791 24.680 1.00 30.29 H new ATOM 0 HG11 VAL A 6 61.190 9.339 22.308 1.00 31.15 H new ATOM 0 HG12 VAL A 6 59.476 9.744 22.564 1.00 31.15 H new ATOM 0 HG13 VAL A 6 60.585 10.957 21.880 1.00 31.15 H new ATOM 0 HG21 VAL A 6 62.931 10.288 23.770 1.00 29.36 H new ATOM 0 HG22 VAL A 6 62.407 11.950 23.407 1.00 29.36 H new ATOM 0 HG23 VAL A 6 62.493 11.393 25.095 1.00 29.36 H new ATOM 87 N GLU A 7 57.564 11.686 23.614 1.00 30.09 N ATOM 88 CA GLU A 7 56.181 11.229 23.569 1.00 29.69 C ATOM 89 C GLU A 7 55.941 10.314 22.367 1.00 29.64 C ATOM 90 O GLU A 7 54.968 9.559 22.342 1.00 29.82 O ATOM 91 CB GLU A 7 55.223 12.424 23.519 1.00 29.23 C ATOM 92 CG GLU A 7 55.415 13.413 24.661 1.00 30.93 C ATOM 93 CD GLU A 7 55.259 12.771 26.027 1.00 33.77 C ATOM 94 OE1 GLU A 7 54.112 12.675 26.512 1.00 33.85 O ATOM 95 OE2 GLU A 7 56.285 12.365 26.613 1.00 37.96 O ATOM 0 H GLU A 7 57.791 12.409 22.931 1.00 30.09 H new ATOM 0 HA GLU A 7 55.988 10.658 24.477 1.00 29.69 H new ATOM 0 HB2 GLU A 7 55.357 12.946 22.572 1.00 29.23 H new ATOM 0 HB3 GLU A 7 54.197 12.056 23.537 1.00 29.23 H new ATOM 0 HG2 GLU A 7 56.406 13.860 24.586 1.00 30.93 H new ATOM 0 HG3 GLU A 7 54.692 14.222 24.560 1.00 30.93 H new ATOM 102 N TYR A 8 56.830 10.390 21.372 1.00 29.48 N ATOM 103 CA TYR A 8 56.721 9.565 20.175 1.00 29.39 C ATOM 104 C TYR A 8 58.068 8.929 19.844 1.00 29.65 C ATOM 105 O TYR A 8 59.114 9.568 19.972 1.00 29.97 O ATOM 106 CB TYR A 8 56.226 10.400 18.992 1.00 28.72 C ATOM 107 CG TYR A 8 54.842 10.976 19.195 1.00 28.86 C ATOM 108 CD1 TYR A 8 54.666 12.217 19.794 1.00 28.78 C ATOM 109 CD2 TYR A 8 53.711 10.276 18.791 1.00 27.36 C ATOM 110 CE1 TYR A 8 53.403 12.745 19.983 1.00 25.45 C ATOM 111 CE2 TYR A 8 52.446 10.797 18.977 1.00 26.64 C ATOM 112 CZ TYR A 8 52.296 12.030 19.573 1.00 25.68 C ATOM 113 OH TYR A 8 51.034 12.550 19.761 1.00 28.95 O ATOM 0 H TYR A 8 57.634 11.018 21.376 1.00 29.48 H new ATOM 0 HA TYR A 8 55.998 8.773 20.368 1.00 29.39 H new ATOM 0 HB2 TYR A 8 56.927 11.215 18.815 1.00 28.72 H new ATOM 0 HB3 TYR A 8 56.225 9.780 18.096 1.00 28.72 H new ATOM 0 HD1 TYR A 8 55.530 12.778 20.117 1.00 28.78 H new ATOM 0 HD2 TYR A 8 53.824 9.309 18.324 1.00 27.36 H new ATOM 0 HE1 TYR A 8 53.283 13.712 20.449 1.00 25.45 H new ATOM 0 HE2 TYR A 8 51.578 10.240 18.657 1.00 26.64 H new ATOM 0 HH TYR A 8 50.366 11.921 19.416 1.00 28.95 H new ATOM 123 N ASP A 9 58.035 7.669 19.415 1.00 29.76 N ATOM 124 CA ASP A 9 59.255 6.948 19.071 1.00 29.81 C ATOM 125 C ASP A 9 59.772 7.377 17.701 1.00 29.68 C ATOM 126 O ASP A 9 59.021 7.404 16.723 1.00 29.46 O ATOM 127 CB ASP A 9 59.010 5.435 19.088 1.00 30.13 C ATOM 128 CG ASP A 9 60.289 4.640 18.895 1.00 30.81 C ATOM 129 OD1 ASP A 9 60.650 4.364 17.730 1.00 32.05 O ATOM 130 OD2 ASP A 9 60.932 4.296 19.909 1.00 30.72 O ATOM 0 H ASP A 9 57.178 7.129 19.298 1.00 29.76 H new ATOM 0 HA ASP A 9 60.010 7.191 19.818 1.00 29.81 H new ATOM 0 HB2 ASP A 9 58.551 5.155 20.036 1.00 30.13 H new ATOM 0 HB3 ASP A 9 58.302 5.175 18.301 1.00 30.13 H new ATOM 135 N TYR A 10 61.059 7.707 17.642 1.00 29.78 N ATOM 136 CA TYR A 10 61.693 8.132 16.401 1.00 30.21 C ATOM 137 C TYR A 10 62.979 7.347 16.166 1.00 30.35 C ATOM 138 O TYR A 10 63.771 7.146 17.088 1.00 30.57 O ATOM 139 CB TYR A 10 61.997 9.632 16.434 1.00 31.02 C ATOM 140 CG TYR A 10 62.457 10.185 15.102 1.00 31.33 C ATOM 141 CD1 TYR A 10 63.800 10.170 14.749 1.00 30.04 C ATOM 142 CD2 TYR A 10 61.546 10.713 14.195 1.00 32.60 C ATOM 143 CE1 TYR A 10 64.222 10.669 13.532 1.00 29.34 C ATOM 144 CE2 TYR A 10 61.962 11.214 12.976 1.00 31.19 C ATOM 145 CZ TYR A 10 63.302 11.189 12.650 1.00 31.13 C ATOM 146 OH TYR A 10 63.723 11.686 11.436 1.00 33.98 O ATOM 0 H TYR A 10 61.686 7.687 18.446 1.00 29.78 H new ATOM 0 HA TYR A 10 61.002 7.935 15.582 1.00 30.21 H new ATOM 0 HB2 TYR A 10 61.103 10.169 16.752 1.00 31.02 H new ATOM 0 HB3 TYR A 10 62.766 9.822 17.182 1.00 31.02 H new ATOM 0 HD1 TYR A 10 64.526 9.762 15.437 1.00 30.04 H new ATOM 0 HD2 TYR A 10 60.496 10.732 14.447 1.00 32.60 H new ATOM 0 HE1 TYR A 10 65.270 10.651 13.273 1.00 29.34 H new ATOM 0 HE2 TYR A 10 61.242 11.623 12.283 1.00 31.19 H new ATOM 0 HH TYR A 10 62.950 12.014 10.931 1.00 33.98 H new ATOM 156 N ASP A 11 63.180 6.909 14.926 1.00 30.13 N ATOM 157 CA ASP A 11 64.370 6.146 14.564 1.00 30.20 C ATOM 158 C ASP A 11 65.387 7.041 13.865 1.00 30.27 C ATOM 159 O ASP A 11 65.095 7.634 12.824 1.00 30.27 O ATOM 160 CB ASP A 11 63.993 4.963 13.668 1.00 30.58 C ATOM 161 CG ASP A 11 63.110 3.956 14.382 1.00 33.58 C ATOM 162 OD1 ASP A 11 61.874 4.138 14.376 1.00 36.69 O ATOM 163 OD2 ASP A 11 63.656 2.988 14.952 1.00 34.44 O ATOM 0 H ASP A 11 62.533 7.070 14.154 1.00 30.13 H new ATOM 0 HA ASP A 11 64.823 5.759 15.477 1.00 30.20 H new ATOM 0 HB2 ASP A 11 63.476 5.332 12.782 1.00 30.58 H new ATOM 0 HB3 ASP A 11 64.901 4.467 13.324 1.00 30.58 H new ATOM 168 N ALA A 12 66.582 7.140 14.451 1.00 30.24 N ATOM 169 CA ALA A 12 67.647 7.968 13.895 1.00 30.06 C ATOM 170 C ALA A 12 68.106 7.457 12.536 1.00 30.11 C ATOM 171 O ALA A 12 68.749 6.410 12.435 1.00 30.10 O ATOM 172 CB ALA A 12 68.825 8.044 14.854 1.00 30.62 C ATOM 0 H ALA A 12 66.834 6.655 15.312 1.00 30.24 H new ATOM 0 HA ALA A 12 67.241 8.970 13.755 1.00 30.06 H new ATOM 0 HB1 ALA A 12 69.608 8.666 14.420 1.00 30.62 H new ATOM 0 HB2 ALA A 12 68.498 8.479 15.798 1.00 30.62 H new ATOM 0 HB3 ALA A 12 69.215 7.042 15.032 1.00 30.62 H new ATOM 178 N VAL A 13 67.767 8.209 11.495 1.00 29.95 N ATOM 179 CA VAL A 13 68.149 7.860 10.133 1.00 29.45 C ATOM 180 C VAL A 13 69.511 8.469 9.807 1.00 29.31 C ATOM 181 O VAL A 13 70.323 7.862 9.107 1.00 29.46 O ATOM 182 CB VAL A 13 67.104 8.350 9.104 1.00 29.06 C ATOM 183 CG1 VAL A 13 67.497 7.936 7.694 1.00 30.56 C ATOM 184 CG2 VAL A 13 65.718 7.821 9.452 1.00 29.65 C ATOM 0 H VAL A 13 67.225 9.070 11.570 1.00 29.95 H new ATOM 0 HA VAL A 13 68.202 6.773 10.069 1.00 29.45 H new ATOM 0 HB VAL A 13 67.075 9.439 9.142 1.00 29.06 H new ATOM 0 HG11 VAL A 13 66.747 8.292 6.988 1.00 30.56 H new ATOM 0 HG12 VAL A 13 68.465 8.370 7.444 1.00 30.56 H new ATOM 0 HG13 VAL A 13 67.561 6.849 7.638 1.00 30.56 H new ATOM 0 HG21 VAL A 13 64.997 8.177 8.716 1.00 29.65 H new ATOM 0 HG22 VAL A 13 65.733 6.731 9.448 1.00 29.65 H new ATOM 0 HG23 VAL A 13 65.431 8.176 10.442 1.00 29.65 H new ATOM 194 N HIS A 14 69.748 9.675 10.330 1.00 29.13 N ATOM 195 CA HIS A 14 71.009 10.379 10.119 1.00 28.39 C ATOM 196 C HIS A 14 71.995 10.066 11.244 1.00 29.24 C ATOM 197 O HIS A 14 71.651 9.385 12.212 1.00 29.61 O ATOM 198 CB HIS A 14 70.765 11.891 10.046 1.00 27.81 C ATOM 199 CG HIS A 14 69.707 12.283 9.063 1.00 25.07 C ATOM 200 ND1 HIS A 14 68.423 12.622 9.436 1.00 22.40 N ATOM 201 CD2 HIS A 14 69.743 12.382 7.712 1.00 23.14 C ATOM 202 CE1 HIS A 14 67.716 12.913 8.359 1.00 22.51 C ATOM 203 NE2 HIS A 14 68.493 12.776 7.302 1.00 22.51 N ATOM 0 H HIS A 14 69.077 10.184 10.905 1.00 29.13 H new ATOM 0 HA HIS A 14 71.437 10.040 9.175 1.00 28.39 H new ATOM 0 HB2 HIS A 14 70.482 12.252 11.035 1.00 27.81 H new ATOM 0 HB3 HIS A 14 71.698 12.388 9.780 1.00 27.81 H new ATOM 0 HD2 HIS A 14 70.595 12.188 7.077 1.00 23.14 H new ATOM 0 HE1 HIS A 14 66.678 13.212 8.346 1.00 22.51 H new ATOM 0 HE2 HIS A 14 68.211 12.937 6.335 1.00 22.51 H new ATOM 212 N ASP A 15 73.220 10.570 11.109 1.00 29.77 N ATOM 213 CA ASP A 15 74.255 10.348 12.116 1.00 30.43 C ATOM 214 C ASP A 15 74.043 11.270 13.316 1.00 30.50 C ATOM 215 O ASP A 15 74.283 10.880 14.460 1.00 31.20 O ATOM 216 CB ASP A 15 75.649 10.573 11.515 1.00 30.36 C ATOM 217 CG ASP A 15 75.856 11.996 11.026 1.00 32.92 C ATOM 218 OD1 ASP A 15 75.453 12.295 9.882 1.00 35.80 O ATOM 219 OD2 ASP A 15 76.419 12.811 11.787 1.00 32.02 O ATOM 0 H ASP A 15 73.520 11.134 10.314 1.00 29.77 H new ATOM 0 HA ASP A 15 74.185 9.314 12.455 1.00 30.43 H new ATOM 0 HB2 ASP A 15 76.405 10.337 12.264 1.00 30.36 H new ATOM 0 HB3 ASP A 15 75.797 9.883 10.684 1.00 30.36 H new ATOM 224 N ASP A 16 73.591 12.494 13.041 1.00 30.30 N ATOM 225 CA ASP A 16 73.327 13.477 14.089 1.00 30.17 C ATOM 226 C ASP A 16 71.861 13.424 14.537 1.00 30.41 C ATOM 227 O ASP A 16 71.392 14.316 15.244 1.00 30.40 O ATOM 228 CB ASP A 16 73.678 14.887 13.596 1.00 30.03 C ATOM 229 CG ASP A 16 73.054 15.208 12.250 1.00 31.37 C ATOM 230 OD1 ASP A 16 71.874 15.615 12.221 1.00 32.50 O ATOM 231 OD2 ASP A 16 73.746 15.044 11.221 1.00 32.58 O ATOM 0 H ASP A 16 73.400 12.828 12.096 1.00 30.30 H new ATOM 0 HA ASP A 16 73.954 13.234 14.947 1.00 30.17 H new ATOM 0 HB2 ASP A 16 73.343 15.619 14.331 1.00 30.03 H new ATOM 0 HB3 ASP A 16 74.761 14.983 13.522 1.00 30.03 H new ATOM 236 N GLU A 17 71.149 12.366 14.134 1.00 29.99 N ATOM 237 CA GLU A 17 69.747 12.193 14.491 1.00 30.29 C ATOM 238 C GLU A 17 69.638 11.386 15.781 1.00 30.27 C ATOM 239 O GLU A 17 70.257 10.327 15.910 1.00 30.41 O ATOM 240 CB GLU A 17 69.005 11.485 13.354 1.00 30.81 C ATOM 241 CG GLU A 17 67.506 11.356 13.575 1.00 31.61 C ATOM 242 CD GLU A 17 66.791 12.694 13.598 1.00 33.47 C ATOM 243 OE1 GLU A 17 66.880 13.435 12.597 1.00 33.82 O ATOM 244 OE2 GLU A 17 66.136 12.997 14.617 1.00 36.11 O ATOM 0 H GLU A 17 71.529 11.615 13.557 1.00 29.99 H new ATOM 0 HA GLU A 17 69.292 13.171 14.650 1.00 30.29 H new ATOM 0 HB2 GLU A 17 69.179 12.030 12.426 1.00 30.81 H new ATOM 0 HB3 GLU A 17 69.429 10.489 13.223 1.00 30.81 H new ATOM 0 HG2 GLU A 17 67.080 10.737 12.785 1.00 31.61 H new ATOM 0 HG3 GLU A 17 67.327 10.839 14.518 1.00 31.61 H new ATOM 251 N LEU A 18 68.863 11.890 16.735 1.00 30.14 N ATOM 252 CA LEU A 18 68.691 11.213 18.013 1.00 30.21 C ATOM 253 C LEU A 18 67.525 10.231 17.968 1.00 30.38 C ATOM 254 O LEU A 18 66.399 10.604 17.630 1.00 30.74 O ATOM 255 CB LEU A 18 68.464 12.243 19.129 1.00 30.00 C ATOM 256 CG LEU A 18 68.804 11.773 20.550 1.00 30.27 C ATOM 257 CD1 LEU A 18 68.071 10.485 20.891 1.00 28.58 C ATOM 258 CD2 LEU A 18 70.306 11.592 20.708 1.00 28.44 C ATOM 0 H LEU A 18 68.345 12.764 16.647 1.00 30.14 H new ATOM 0 HA LEU A 18 69.601 10.650 18.219 1.00 30.21 H new ATOM 0 HB2 LEU A 18 69.060 13.129 18.907 1.00 30.00 H new ATOM 0 HB3 LEU A 18 67.418 12.549 19.108 1.00 30.00 H new ATOM 0 HG LEU A 18 68.473 12.543 21.247 1.00 30.27 H new ATOM 0 HD11 LEU A 18 68.331 10.176 21.903 1.00 28.58 H new ATOM 0 HD12 LEU A 18 66.996 10.650 20.827 1.00 28.58 H new ATOM 0 HD13 LEU A 18 68.360 9.704 20.187 1.00 28.58 H new ATOM 0 HD21 LEU A 18 70.528 11.259 21.722 1.00 28.44 H new ATOM 0 HD22 LEU A 18 70.660 10.847 19.995 1.00 28.44 H new ATOM 0 HD23 LEU A 18 70.809 12.541 20.520 1.00 28.44 H new ATOM 270 N THR A 19 67.806 8.974 18.309 1.00 30.23 N ATOM 271 CA THR A 19 66.779 7.942 18.343 1.00 29.85 C ATOM 272 C THR A 19 66.014 8.042 19.659 1.00 30.16 C ATOM 273 O THR A 19 66.354 7.373 20.638 1.00 30.81 O ATOM 274 CB THR A 19 67.373 6.521 18.207 1.00 28.87 C ATOM 275 OG1 THR A 19 68.202 6.439 17.043 1.00 30.34 O ATOM 276 CG2 THR A 19 66.271 5.474 18.118 1.00 27.27 C ATOM 0 H THR A 19 68.738 8.649 18.565 1.00 30.23 H new ATOM 0 HA THR A 19 66.115 8.106 17.494 1.00 29.85 H new ATOM 0 HB THR A 19 67.973 6.324 19.096 1.00 28.87 H new ATOM 0 HG1 THR A 19 68.573 5.535 16.969 1.00 30.34 H new ATOM 0 HG21 THR A 19 66.717 4.484 18.023 1.00 27.27 H new ATOM 0 HG22 THR A 19 65.660 5.512 19.020 1.00 27.27 H new ATOM 0 HG23 THR A 19 65.647 5.676 17.248 1.00 27.27 H new ATOM 284 N ILE A 20 64.992 8.894 19.686 1.00 30.01 N ATOM 285 CA ILE A 20 64.196 9.098 20.894 1.00 29.56 C ATOM 286 C ILE A 20 63.051 8.091 20.987 1.00 29.93 C ATOM 287 O ILE A 20 62.359 7.831 20.003 1.00 30.39 O ATOM 288 CB ILE A 20 63.615 10.531 20.949 1.00 29.12 C ATOM 289 CG1 ILE A 20 62.753 10.816 19.712 1.00 29.01 C ATOM 290 CG2 ILE A 20 64.736 11.554 21.065 1.00 26.69 C ATOM 291 CD1 ILE A 20 62.131 12.193 19.706 1.00 23.44 C ATOM 0 H ILE A 20 64.696 9.454 18.886 1.00 30.01 H new ATOM 0 HA ILE A 20 64.868 8.951 21.740 1.00 29.56 H new ATOM 0 HB ILE A 20 62.980 10.610 21.832 1.00 29.12 H new ATOM 0 HG12 ILE A 20 63.367 10.701 18.819 1.00 29.01 H new ATOM 0 HG13 ILE A 20 61.961 10.070 19.653 1.00 29.01 H new ATOM 0 HG21 ILE A 20 64.311 12.557 21.103 1.00 26.69 H new ATOM 0 HG22 ILE A 20 65.306 11.367 21.975 1.00 26.69 H new ATOM 0 HG23 ILE A 20 65.395 11.471 20.201 1.00 26.69 H new ATOM 0 HD11 ILE A 20 61.537 12.320 18.801 1.00 23.44 H new ATOM 0 HD12 ILE A 20 61.490 12.306 20.580 1.00 23.44 H new ATOM 0 HD13 ILE A 20 62.917 12.947 19.733 1.00 23.44 H new ATOM 303 N ARG A 21 62.865 7.523 22.176 1.00 29.61 N ATOM 304 CA ARG A 21 61.802 6.551 22.409 1.00 29.35 C ATOM 305 C ARG A 21 60.844 7.066 23.476 1.00 29.47 C ATOM 306 O ARG A 21 61.278 7.626 24.484 1.00 29.56 O ATOM 307 CB ARG A 21 62.389 5.203 22.834 1.00 28.81 C ATOM 308 CG ARG A 21 63.511 4.713 21.931 1.00 27.09 C ATOM 309 CD ARG A 21 63.917 3.287 22.266 1.00 24.85 C ATOM 310 NE ARG A 21 62.887 2.319 21.888 1.00 22.16 N ATOM 311 CZ ARG A 21 62.772 1.782 20.669 1.00 21.44 C ATOM 312 NH1 ARG A 21 63.613 2.125 19.696 1.00 18.82 N ATOM 313 NH2 ARG A 21 61.809 0.901 20.423 1.00 20.39 N ATOM 0 H ARG A 21 63.439 7.721 22.995 1.00 29.61 H new ATOM 0 HA ARG A 21 61.252 6.411 21.478 1.00 29.35 H new ATOM 0 HB2 ARG A 21 62.765 5.286 23.854 1.00 28.81 H new ATOM 0 HB3 ARG A 21 61.593 4.458 22.847 1.00 28.81 H new ATOM 0 HG2 ARG A 21 63.191 4.766 20.890 1.00 27.09 H new ATOM 0 HG3 ARG A 21 64.374 5.371 22.032 1.00 27.09 H new ATOM 0 HD2 ARG A 21 64.847 3.045 21.752 1.00 24.85 H new ATOM 0 HD3 ARG A 21 64.113 3.208 23.335 1.00 24.85 H new ATOM 0 HE ARG A 21 62.214 2.036 22.600 1.00 22.16 H new ATOM 0 HH11 ARG A 21 64.353 2.803 19.877 1.00 18.82 H new ATOM 0 HH12 ARG A 21 63.517 1.710 18.769 1.00 18.82 H new ATOM 0 HH21 ARG A 21 61.159 0.636 21.163 1.00 20.39 H new ATOM 0 HH22 ARG A 21 61.719 0.490 19.494 1.00 20.39 H new ATOM 327 N VAL A 22 59.542 6.873 23.252 1.00 29.39 N ATOM 328 CA VAL A 22 58.511 7.336 24.184 1.00 29.82 C ATOM 329 C VAL A 22 58.863 7.005 25.634 1.00 30.17 C ATOM 330 O VAL A 22 59.077 5.842 25.984 1.00 30.31 O ATOM 331 CB VAL A 22 57.128 6.727 23.852 1.00 30.17 C ATOM 332 CG1 VAL A 22 56.049 7.317 24.750 1.00 31.46 C ATOM 333 CG2 VAL A 22 56.779 6.943 22.385 1.00 29.01 C ATOM 0 H VAL A 22 59.175 6.396 22.428 1.00 29.39 H new ATOM 0 HA VAL A 22 58.464 8.419 24.070 1.00 29.82 H new ATOM 0 HB VAL A 22 57.179 5.654 24.037 1.00 30.17 H new ATOM 0 HG11 VAL A 22 55.085 6.875 24.499 1.00 31.46 H new ATOM 0 HG12 VAL A 22 56.286 7.103 25.792 1.00 31.46 H new ATOM 0 HG13 VAL A 22 56.003 8.396 24.602 1.00 31.46 H new ATOM 0 HG21 VAL A 22 55.803 6.506 22.175 1.00 29.01 H new ATOM 0 HG22 VAL A 22 56.752 8.011 22.171 1.00 29.01 H new ATOM 0 HG23 VAL A 22 57.532 6.466 21.758 1.00 29.01 H new ATOM 343 N GLY A 23 58.921 8.044 26.470 1.00 30.09 N ATOM 344 CA GLY A 23 59.237 7.862 27.874 1.00 30.09 C ATOM 345 C GLY A 23 60.626 8.348 28.252 1.00 30.28 C ATOM 346 O GLY A 23 60.899 8.577 29.433 1.00 30.60 O ATOM 0 H GLY A 23 58.753 9.012 26.194 1.00 30.09 H new ATOM 0 HA2 GLY A 23 58.499 8.393 28.476 1.00 30.09 H new ATOM 0 HA3 GLY A 23 59.151 6.804 28.123 1.00 30.09 H new ATOM 350 N GLU A 24 61.510 8.509 27.264 1.00 30.33 N ATOM 351 CA GLU A 24 62.874 8.960 27.525 1.00 30.48 C ATOM 352 C GLU A 24 62.934 10.455 27.811 1.00 30.44 C ATOM 353 O GLU A 24 62.065 11.220 27.393 1.00 31.01 O ATOM 354 CB GLU A 24 63.787 8.638 26.337 1.00 30.44 C ATOM 355 CG GLU A 24 64.107 7.159 26.181 1.00 31.30 C ATOM 356 CD GLU A 24 65.271 6.915 25.237 1.00 34.49 C ATOM 357 OE1 GLU A 24 65.029 6.760 24.022 1.00 35.80 O ATOM 358 OE2 GLU A 24 66.427 6.883 25.711 1.00 33.15 O ATOM 0 H GLU A 24 61.304 8.334 26.280 1.00 30.33 H new ATOM 0 HA GLU A 24 63.219 8.426 28.410 1.00 30.48 H new ATOM 0 HB2 GLU A 24 63.314 8.995 25.422 1.00 30.44 H new ATOM 0 HB3 GLU A 24 64.720 9.190 26.450 1.00 30.44 H new ATOM 0 HG2 GLU A 24 64.340 6.735 27.158 1.00 31.30 H new ATOM 0 HG3 GLU A 24 63.226 6.637 25.809 1.00 31.30 H new ATOM 365 N ILE A 25 63.974 10.857 28.538 1.00 29.91 N ATOM 366 CA ILE A 25 64.192 12.257 28.875 1.00 29.69 C ATOM 367 C ILE A 25 65.480 12.750 28.222 1.00 29.98 C ATOM 368 O ILE A 25 66.546 12.158 28.409 1.00 30.38 O ATOM 369 CB ILE A 25 64.267 12.475 30.402 1.00 29.62 C ATOM 370 CG1 ILE A 25 62.975 11.992 31.069 1.00 29.46 C ATOM 371 CG2 ILE A 25 64.519 13.944 30.722 1.00 29.30 C ATOM 372 CD1 ILE A 25 63.002 12.070 32.581 1.00 30.29 C ATOM 0 H ILE A 25 64.684 10.224 28.907 1.00 29.91 H new ATOM 0 HA ILE A 25 63.342 12.826 28.498 1.00 29.69 H new ATOM 0 HB ILE A 25 65.100 11.893 30.796 1.00 29.62 H new ATOM 0 HG12 ILE A 25 62.141 12.588 30.699 1.00 29.46 H new ATOM 0 HG13 ILE A 25 62.787 10.961 30.771 1.00 29.46 H new ATOM 0 HG21 ILE A 25 64.569 14.078 31.803 1.00 29.30 H new ATOM 0 HG22 ILE A 25 65.462 14.257 30.274 1.00 29.30 H new ATOM 0 HG23 ILE A 25 63.707 14.549 30.319 1.00 29.30 H new ATOM 0 HD11 ILE A 25 62.053 11.711 32.981 1.00 30.29 H new ATOM 0 HD12 ILE A 25 63.814 11.451 32.963 1.00 30.29 H new ATOM 0 HD13 ILE A 25 63.158 13.104 32.889 1.00 30.29 H new ATOM 384 N ILE A 26 65.378 13.837 27.464 1.00 29.87 N ATOM 385 CA ILE A 26 66.534 14.392 26.768 1.00 29.43 C ATOM 386 C ILE A 26 67.234 15.438 27.631 1.00 29.27 C ATOM 387 O ILE A 26 66.629 16.441 28.019 1.00 29.24 O ATOM 388 CB ILE A 26 66.147 15.041 25.424 1.00 29.75 C ATOM 389 CG1 ILE A 26 65.029 14.258 24.722 1.00 29.52 C ATOM 390 CG2 ILE A 26 67.373 15.143 24.530 1.00 30.89 C ATOM 391 CD1 ILE A 26 65.384 12.821 24.410 1.00 32.07 C ATOM 0 H ILE A 26 64.509 14.350 27.316 1.00 29.87 H new ATOM 0 HA ILE A 26 67.206 13.557 26.571 1.00 29.43 H new ATOM 0 HB ILE A 26 65.766 16.042 25.625 1.00 29.75 H new ATOM 0 HG12 ILE A 26 64.139 14.273 25.351 1.00 29.52 H new ATOM 0 HG13 ILE A 26 64.771 14.767 23.793 1.00 29.52 H new ATOM 0 HG21 ILE A 26 67.094 15.602 23.581 1.00 30.89 H new ATOM 0 HG22 ILE A 26 68.131 15.754 25.020 1.00 30.89 H new ATOM 0 HG23 ILE A 26 67.774 14.146 24.347 1.00 30.89 H new ATOM 0 HD11 ILE A 26 64.542 12.337 23.915 1.00 32.07 H new ATOM 0 HD12 ILE A 26 66.254 12.795 23.754 1.00 32.07 H new ATOM 0 HD13 ILE A 26 65.612 12.293 25.336 1.00 32.07 H new ATOM 403 N ARG A 27 68.509 15.197 27.932 1.00 28.99 N ATOM 404 CA ARG A 27 69.287 16.114 28.761 1.00 29.24 C ATOM 405 C ARG A 27 69.702 17.369 27.996 1.00 29.28 C ATOM 406 O ARG A 27 70.365 17.290 26.961 1.00 29.72 O ATOM 407 CB ARG A 27 70.530 15.412 29.320 1.00 28.90 C ATOM 408 CG ARG A 27 70.242 14.517 30.519 1.00 28.44 C ATOM 409 CD ARG A 27 69.519 13.239 30.118 1.00 27.70 C ATOM 410 NE ARG A 27 70.386 12.321 29.381 1.00 24.46 N ATOM 411 CZ ARG A 27 70.052 11.067 29.068 1.00 23.71 C ATOM 412 NH1 ARG A 27 68.858 10.581 29.398 1.00 22.46 N ATOM 413 NH2 ARG A 27 70.913 10.296 28.413 1.00 19.02 N ATOM 0 H ARG A 27 69.024 14.376 27.614 1.00 28.99 H new ATOM 0 HA ARG A 27 68.643 16.423 29.585 1.00 29.24 H new ATOM 0 HB2 ARG A 27 70.983 14.812 28.531 1.00 28.90 H new ATOM 0 HB3 ARG A 27 71.263 16.166 29.608 1.00 28.90 H new ATOM 0 HG2 ARG A 27 71.179 14.263 31.015 1.00 28.44 H new ATOM 0 HG3 ARG A 27 69.637 15.064 31.242 1.00 28.44 H new ATOM 0 HD2 ARG A 27 69.142 12.741 31.012 1.00 27.70 H new ATOM 0 HD3 ARG A 27 68.654 13.490 29.504 1.00 27.70 H new ATOM 0 HE ARG A 27 71.302 12.660 29.088 1.00 24.46 H new ATOM 0 HH11 ARG A 27 68.188 11.168 29.895 1.00 22.46 H new ATOM 0 HH12 ARG A 27 68.613 9.621 29.154 1.00 22.46 H new ATOM 0 HH21 ARG A 27 71.828 10.662 28.150 1.00 19.02 H new ATOM 0 HH22 ARG A 27 70.659 9.338 28.173 1.00 19.02 H new ATOM 427 N ASN A 28 69.299 18.531 28.523 1.00 28.86 N ATOM 428 CA ASN A 28 69.634 19.828 27.931 1.00 28.88 C ATOM 429 C ASN A 28 69.151 19.957 26.486 1.00 29.38 C ATOM 430 O ASN A 28 69.952 19.950 25.548 1.00 29.65 O ATOM 431 CB ASN A 28 71.145 20.078 28.007 1.00 27.93 C ATOM 432 CG ASN A 28 71.659 20.104 29.436 1.00 28.84 C ATOM 433 OD1 ASN A 28 71.675 21.151 30.082 1.00 29.64 O ATOM 434 ND2 ASN A 28 72.087 18.948 29.937 1.00 28.08 N ATOM 0 H ASN A 28 68.733 18.597 29.369 1.00 28.86 H new ATOM 0 HA ASN A 28 69.111 20.586 28.514 1.00 28.88 H new ATOM 0 HB2 ASN A 28 71.667 19.300 27.451 1.00 27.93 H new ATOM 0 HB3 ASN A 28 71.378 21.027 27.523 1.00 27.93 H new ATOM 0 HD21 ASN A 28 72.446 18.907 30.891 1.00 28.08 H new ATOM 0 HD22 ASN A 28 72.056 18.103 29.367 1.00 28.08 H new ATOM 441 N VAL A 29 67.835 20.063 26.311 1.00 29.23 N ATOM 442 CA VAL A 29 67.247 20.215 24.982 1.00 29.16 C ATOM 443 C VAL A 29 67.206 21.683 24.564 1.00 29.69 C ATOM 444 O VAL A 29 66.425 22.472 25.099 1.00 30.31 O ATOM 445 CB VAL A 29 65.821 19.632 24.921 1.00 28.68 C ATOM 446 CG1 VAL A 29 65.233 19.776 23.523 1.00 29.28 C ATOM 447 CG2 VAL A 29 65.832 18.180 25.354 1.00 28.81 C ATOM 0 H VAL A 29 67.156 20.046 27.072 1.00 29.23 H new ATOM 0 HA VAL A 29 67.883 19.660 24.292 1.00 29.16 H new ATOM 0 HB VAL A 29 65.188 20.195 25.607 1.00 28.68 H new ATOM 0 HG11 VAL A 29 64.227 19.357 23.507 1.00 29.28 H new ATOM 0 HG12 VAL A 29 65.191 20.831 23.253 1.00 29.28 H new ATOM 0 HG13 VAL A 29 65.860 19.243 22.808 1.00 29.28 H new ATOM 0 HG21 VAL A 29 64.820 17.779 25.307 1.00 28.81 H new ATOM 0 HG22 VAL A 29 66.481 17.607 24.691 1.00 28.81 H new ATOM 0 HG23 VAL A 29 66.204 18.108 26.376 1.00 28.81 H new ATOM 457 N LYS A 30 68.058 22.036 23.607 1.00 29.93 N ATOM 458 CA LYS A 30 68.129 23.401 23.101 1.00 30.02 C ATOM 459 C LYS A 30 67.479 23.491 21.725 1.00 29.92 C ATOM 460 O LYS A 30 67.388 22.495 21.006 1.00 29.72 O ATOM 461 CB LYS A 30 69.587 23.870 23.020 1.00 30.09 C ATOM 462 CG LYS A 30 70.404 23.570 24.269 1.00 31.17 C ATOM 463 CD LYS A 30 69.831 24.255 25.500 1.00 36.15 C ATOM 464 CE LYS A 30 70.585 23.857 26.759 1.00 38.13 C ATOM 465 NZ LYS A 30 70.078 24.571 27.964 1.00 38.77 N ATOM 0 H LYS A 30 68.712 21.391 23.164 1.00 29.93 H new ATOM 0 HA LYS A 30 67.589 24.050 23.791 1.00 30.02 H new ATOM 0 HB2 LYS A 30 70.064 23.394 22.163 1.00 30.09 H new ATOM 0 HB3 LYS A 30 69.603 24.944 22.837 1.00 30.09 H new ATOM 0 HG2 LYS A 30 70.433 22.493 24.434 1.00 31.17 H new ATOM 0 HG3 LYS A 30 71.433 23.897 24.117 1.00 31.17 H new ATOM 0 HD2 LYS A 30 69.879 25.336 25.372 1.00 36.15 H new ATOM 0 HD3 LYS A 30 68.778 23.993 25.607 1.00 36.15 H new ATOM 0 HE2 LYS A 30 70.495 22.781 26.911 1.00 38.13 H new ATOM 0 HE3 LYS A 30 71.646 24.073 26.630 1.00 38.13 H new ATOM 0 HZ1 LYS A 30 70.620 24.270 28.799 1.00 38.77 H new ATOM 0 HZ2 LYS A 30 70.187 25.597 27.831 1.00 38.77 H new ATOM 0 HZ3 LYS A 30 69.072 24.345 28.104 1.00 38.77 H new ATOM 479 N LYS A 31 67.029 24.687 21.361 1.00 30.12 N ATOM 480 CA LYS A 31 66.393 24.895 20.066 1.00 30.63 C ATOM 481 C LYS A 31 67.449 25.080 18.983 1.00 30.21 C ATOM 482 O LYS A 31 68.349 25.913 19.115 1.00 29.89 O ATOM 483 CB LYS A 31 65.456 26.105 20.110 1.00 30.91 C ATOM 484 CG LYS A 31 64.261 25.914 21.033 1.00 32.81 C ATOM 485 CD LYS A 31 63.355 27.136 21.033 0.01 32.61 C ATOM 486 CE LYS A 31 62.162 26.951 21.961 0.01 32.87 C ATOM 487 NZ LYS A 31 61.260 25.855 21.507 0.01 32.94 N ATOM 0 H LYS A 31 67.092 25.523 21.942 1.00 30.12 H new ATOM 0 HA LYS A 31 65.799 24.012 19.829 1.00 30.63 H new ATOM 0 HB2 LYS A 31 66.020 26.980 20.435 1.00 30.91 H new ATOM 0 HB3 LYS A 31 65.097 26.313 19.102 1.00 30.91 H new ATOM 0 HG2 LYS A 31 63.693 25.039 20.718 1.00 32.81 H new ATOM 0 HG3 LYS A 31 64.611 25.719 22.047 1.00 32.81 H new ATOM 0 HD2 LYS A 31 63.925 28.012 21.343 0.01 32.61 H new ATOM 0 HD3 LYS A 31 63.002 27.328 20.020 0.01 32.61 H new ATOM 0 HE2 LYS A 31 62.518 26.733 22.968 0.01 32.87 H new ATOM 0 HE3 LYS A 31 61.599 27.883 22.017 0.01 32.87 H new ATOM 0 HZ1 LYS A 31 60.462 25.765 22.168 0.01 32.94 H new ATOM 0 HZ2 LYS A 31 60.899 26.074 20.557 0.01 32.94 H new ATOM 0 HZ3 LYS A 31 61.789 24.960 21.479 0.01 32.94 H new ATOM 501 N LEU A 32 67.332 24.297 17.915 1.00 30.17 N ATOM 502 CA LEU A 32 68.278 24.357 16.808 1.00 30.14 C ATOM 503 C LEU A 32 67.832 25.399 15.786 1.00 30.24 C ATOM 504 O LEU A 32 66.719 25.925 15.871 1.00 30.14 O ATOM 505 CB LEU A 32 68.392 22.974 16.151 1.00 30.00 C ATOM 506 CG LEU A 32 69.643 22.740 15.299 1.00 31.11 C ATOM 507 CD1 LEU A 32 70.905 22.966 16.121 1.00 33.13 C ATOM 508 CD2 LEU A 32 69.630 21.334 14.717 1.00 32.25 C ATOM 0 H LEU A 32 66.587 23.611 17.793 1.00 30.17 H new ATOM 0 HA LEU A 32 69.256 24.649 17.189 1.00 30.14 H new ATOM 0 HB2 LEU A 32 68.363 22.217 16.935 1.00 30.00 H new ATOM 0 HB3 LEU A 32 67.514 22.817 15.524 1.00 30.00 H new ATOM 0 HG LEU A 32 69.639 23.457 14.478 1.00 31.11 H new ATOM 0 HD11 LEU A 32 71.782 22.794 15.496 1.00 33.13 H new ATOM 0 HD12 LEU A 32 70.919 23.991 16.492 1.00 33.13 H new ATOM 0 HD13 LEU A 32 70.919 22.275 16.964 1.00 33.13 H new ATOM 0 HD21 LEU A 32 70.525 21.182 14.114 1.00 32.25 H new ATOM 0 HD22 LEU A 32 69.610 20.605 15.527 1.00 32.25 H new ATOM 0 HD23 LEU A 32 68.746 21.207 14.093 1.00 32.25 H new ATOM 520 N GLN A 33 68.697 25.694 14.816 1.00 30.41 N ATOM 521 CA GLN A 33 68.370 26.667 13.778 1.00 31.42 C ATOM 522 C GLN A 33 67.459 26.042 12.709 1.00 30.40 C ATOM 523 O GLN A 33 67.086 26.706 11.741 1.00 30.64 O ATOM 524 CB GLN A 33 69.649 27.230 13.143 1.00 32.26 C ATOM 525 CG GLN A 33 70.549 26.175 12.521 1.00 36.24 C ATOM 526 CD GLN A 33 71.870 26.743 12.041 1.00 40.54 C ATOM 527 OE1 GLN A 33 71.989 27.188 10.899 1.00 41.78 O ATOM 528 NE2 GLN A 33 72.876 26.730 12.910 1.00 42.18 N ATOM 0 H GLN A 33 69.623 25.276 14.728 1.00 30.41 H new ATOM 0 HA GLN A 33 67.828 27.491 14.242 1.00 31.42 H new ATOM 0 HB2 GLN A 33 69.373 27.954 12.377 1.00 32.26 H new ATOM 0 HB3 GLN A 33 70.212 27.770 13.904 1.00 32.26 H new ATOM 0 HG2 GLN A 33 70.740 25.389 13.252 1.00 36.24 H new ATOM 0 HG3 GLN A 33 70.031 25.711 11.682 1.00 36.24 H new ATOM 0 HE21 GLN A 33 72.736 26.352 13.847 1.00 42.18 H new ATOM 0 HE22 GLN A 33 73.788 27.098 12.640 1.00 42.18 H new ATOM 537 N GLU A 34 67.106 24.762 12.896 1.00 30.02 N ATOM 538 CA GLU A 34 66.223 24.058 11.979 1.00 30.43 C ATOM 539 C GLU A 34 64.840 23.926 12.603 1.00 30.10 C ATOM 540 O GLU A 34 64.677 23.274 13.637 1.00 30.59 O ATOM 541 CB GLU A 34 66.784 22.671 11.641 1.00 30.61 C ATOM 542 CG GLU A 34 67.779 22.665 10.490 1.00 33.14 C ATOM 543 CD GLU A 34 68.963 23.583 10.723 1.00 37.04 C ATOM 544 OE1 GLU A 34 69.792 23.273 11.606 1.00 37.93 O ATOM 545 OE2 GLU A 34 69.063 24.610 10.019 1.00 38.11 O ATOM 0 H GLU A 34 67.426 24.197 13.683 1.00 30.02 H new ATOM 0 HA GLU A 34 66.150 24.630 11.054 1.00 30.43 H new ATOM 0 HB2 GLU A 34 67.268 22.261 12.527 1.00 30.61 H new ATOM 0 HB3 GLU A 34 65.956 22.007 11.394 1.00 30.61 H new ATOM 0 HG2 GLU A 34 68.140 21.648 10.335 1.00 33.14 H new ATOM 0 HG3 GLU A 34 67.269 22.965 9.575 1.00 33.14 H new ATOM 552 N GLU A 35 63.851 24.555 11.974 1.00 30.07 N ATOM 553 CA GLU A 35 62.479 24.522 12.473 0.50 29.78 C ATOM 554 C GLU A 35 61.989 23.083 12.633 1.00 30.09 C ATOM 555 O GLU A 35 61.989 22.304 11.677 1.00 30.43 O ATOM 556 CB GLU A 35 61.539 25.311 11.546 0.50 29.62 C ATOM 557 CG GLU A 35 61.269 24.652 10.196 0.50 29.33 C ATOM 558 CD GLU A 35 62.508 24.548 9.322 0.50 28.70 C ATOM 559 OE1 GLU A 35 62.897 25.570 8.718 0.50 28.73 O ATOM 560 OE2 GLU A 35 63.091 23.445 9.244 0.50 27.25 O ATOM 0 H GLU A 35 63.974 25.094 11.117 1.00 30.07 H new ATOM 0 HA GLU A 35 62.470 24.996 13.454 0.50 29.78 H new ATOM 0 HB2 GLU A 35 60.588 25.461 12.058 0.50 29.62 H new ATOM 0 HB3 GLU A 35 61.967 26.299 11.373 0.50 29.62 H new ATOM 0 HG2 GLU A 35 60.864 23.654 10.361 0.50 29.33 H new ATOM 0 HG3 GLU A 35 60.506 25.222 9.667 0.50 29.33 H new ATOM 567 N GLY A 36 61.592 22.733 13.855 1.00 30.13 N ATOM 568 CA GLY A 36 61.103 21.396 14.123 1.00 29.64 C ATOM 569 C GLY A 36 62.193 20.445 14.568 1.00 29.87 C ATOM 570 O GLY A 36 61.994 19.230 14.566 1.00 30.05 O ATOM 0 H GLY A 36 61.602 23.355 14.663 1.00 30.13 H new ATOM 0 HA2 GLY A 36 60.334 21.444 14.894 1.00 29.64 H new ATOM 0 HA3 GLY A 36 60.629 21.002 13.224 1.00 29.64 H new ATOM 574 N TRP A 37 63.348 20.992 14.946 1.00 29.74 N ATOM 575 CA TRP A 37 64.463 20.178 15.394 1.00 29.59 C ATOM 576 C TRP A 37 65.077 20.748 16.665 1.00 29.70 C ATOM 577 O TRP A 37 65.349 21.947 16.760 1.00 30.29 O ATOM 578 CB TRP A 37 65.513 20.062 14.287 1.00 29.29 C ATOM 579 CG TRP A 37 64.977 19.416 13.044 1.00 29.26 C ATOM 580 CD1 TRP A 37 64.576 20.043 11.901 1.00 28.67 C ATOM 581 CD2 TRP A 37 64.767 18.016 12.829 1.00 29.10 C ATOM 582 NE1 TRP A 37 64.138 19.119 10.984 1.00 29.99 N ATOM 583 CE2 TRP A 37 64.243 17.867 11.531 1.00 29.48 C ATOM 584 CE3 TRP A 37 64.972 16.873 13.608 1.00 29.56 C ATOM 585 CZ2 TRP A 37 63.924 16.623 10.995 1.00 27.72 C ATOM 586 CZ3 TRP A 37 64.653 15.639 13.075 1.00 28.75 C ATOM 587 CH2 TRP A 37 64.135 15.522 11.779 1.00 26.29 C ATOM 0 H TRP A 37 63.530 21.996 14.949 1.00 29.74 H new ATOM 0 HA TRP A 37 64.090 19.180 15.623 1.00 29.59 H new ATOM 0 HB2 TRP A 37 65.888 21.056 14.042 1.00 29.29 H new ATOM 0 HB3 TRP A 37 66.360 19.484 14.655 1.00 29.29 H new ATOM 0 HD1 TRP A 37 64.599 21.111 11.740 1.00 28.67 H new ATOM 0 HE1 TRP A 37 63.791 19.330 10.048 1.00 29.99 H new ATOM 0 HE3 TRP A 37 65.372 16.953 14.608 1.00 29.56 H new ATOM 0 HZ2 TRP A 37 63.524 16.530 9.996 1.00 27.72 H new ATOM 0 HZ3 TRP A 37 64.806 14.749 13.668 1.00 28.75 H new ATOM 0 HH2 TRP A 37 63.897 14.543 11.391 1.00 26.29 H new ATOM 598 N LEU A 38 65.290 19.869 17.635 1.00 29.48 N ATOM 599 CA LEU A 38 65.866 20.244 18.918 1.00 29.37 C ATOM 600 C LEU A 38 67.197 19.527 19.114 1.00 29.69 C ATOM 601 O LEU A 38 67.482 18.553 18.426 1.00 30.33 O ATOM 602 CB LEU A 38 64.905 19.899 20.064 1.00 28.93 C ATOM 603 CG LEU A 38 63.662 20.790 20.190 1.00 28.10 C ATOM 604 CD1 LEU A 38 64.057 22.253 20.321 1.00 26.91 C ATOM 605 CD2 LEU A 38 62.729 20.591 19.004 1.00 27.03 C ATOM 0 H LEU A 38 65.068 18.877 17.554 1.00 29.48 H new ATOM 0 HA LEU A 38 66.034 21.321 18.925 1.00 29.37 H new ATOM 0 HB2 LEU A 38 64.577 18.867 19.939 1.00 28.93 H new ATOM 0 HB3 LEU A 38 65.458 19.946 21.002 1.00 28.93 H new ATOM 0 HG LEU A 38 63.129 20.498 21.095 1.00 28.10 H new ATOM 0 HD11 LEU A 38 63.160 22.866 20.409 1.00 26.91 H new ATOM 0 HD12 LEU A 38 64.675 22.385 21.209 1.00 26.91 H new ATOM 0 HD13 LEU A 38 64.620 22.558 19.439 1.00 26.91 H new ATOM 0 HD21 LEU A 38 61.856 21.233 19.116 1.00 27.03 H new ATOM 0 HD22 LEU A 38 63.252 20.848 18.083 1.00 27.03 H new ATOM 0 HD23 LEU A 38 62.410 19.549 18.962 1.00 27.03 H new ATOM 617 N GLU A 39 68.001 20.006 20.054 1.00 29.85 N ATOM 618 CA GLU A 39 69.306 19.407 20.327 1.00 30.01 C ATOM 619 C GLU A 39 69.408 18.995 21.791 1.00 29.88 C ATOM 620 O GLU A 39 69.312 19.835 22.684 1.00 29.98 O ATOM 621 CB GLU A 39 70.423 20.395 19.974 1.00 30.17 C ATOM 622 CG GLU A 39 71.800 19.758 19.877 1.00 32.87 C ATOM 623 CD GLU A 39 71.899 18.745 18.752 1.00 37.88 C ATOM 624 OE1 GLU A 39 71.866 19.159 17.573 1.00 38.59 O ATOM 625 OE2 GLU A 39 72.012 17.539 19.049 1.00 38.28 O ATOM 0 H GLU A 39 67.775 20.808 20.642 1.00 29.85 H new ATOM 0 HA GLU A 39 69.416 18.516 19.709 1.00 30.01 H new ATOM 0 HB2 GLU A 39 70.186 20.872 19.023 1.00 30.17 H new ATOM 0 HB3 GLU A 39 70.450 21.182 20.727 1.00 30.17 H new ATOM 0 HG2 GLU A 39 72.546 20.538 19.725 1.00 32.87 H new ATOM 0 HG3 GLU A 39 72.037 19.269 20.822 1.00 32.87 H new ATOM 632 N GLY A 40 69.619 17.701 22.033 1.00 29.49 N ATOM 633 CA GLY A 40 69.709 17.212 23.398 1.00 29.65 C ATOM 634 C GLY A 40 70.549 15.960 23.537 1.00 29.85 C ATOM 635 O GLY A 40 70.797 15.251 22.558 1.00 29.46 O ATOM 0 H GLY A 40 69.728 16.988 21.312 1.00 29.49 H new ATOM 0 HA2 GLY A 40 70.131 17.995 24.029 1.00 29.65 H new ATOM 0 HA3 GLY A 40 68.705 17.009 23.770 1.00 29.65 H new ATOM 639 N GLU A 41 70.980 15.690 24.767 1.00 29.93 N ATOM 640 CA GLU A 41 71.802 14.526 25.065 1.00 29.92 C ATOM 641 C GLU A 41 70.940 13.361 25.542 1.00 29.86 C ATOM 642 O GLU A 41 70.427 13.366 26.663 1.00 30.03 O ATOM 643 CB GLU A 41 72.854 14.887 26.121 1.00 29.67 C ATOM 644 CG GLU A 41 73.901 13.807 26.356 1.00 34.14 C ATOM 645 CD GLU A 41 73.389 12.670 27.220 1.00 36.56 C ATOM 646 OE1 GLU A 41 73.343 12.836 28.457 1.00 37.88 O ATOM 647 OE2 GLU A 41 73.032 11.615 26.660 1.00 34.81 O ATOM 0 H GLU A 41 70.769 16.270 25.579 1.00 29.93 H new ATOM 0 HA GLU A 41 72.310 14.215 24.152 1.00 29.92 H new ATOM 0 HB2 GLU A 41 73.357 15.805 25.817 1.00 29.67 H new ATOM 0 HB3 GLU A 41 72.349 15.098 27.063 1.00 29.67 H new ATOM 0 HG2 GLU A 41 74.227 13.409 25.395 1.00 34.14 H new ATOM 0 HG3 GLU A 41 74.776 14.252 26.830 1.00 34.14 H new ATOM 654 N LEU A 42 70.780 12.368 24.671 1.00 29.45 N ATOM 655 CA LEU A 42 70.001 11.179 24.989 1.00 29.26 C ATOM 656 C LEU A 42 70.770 9.929 24.590 1.00 30.02 C ATOM 657 O LEU A 42 71.449 9.908 23.561 1.00 30.38 O ATOM 658 CB LEU A 42 68.640 11.200 24.291 1.00 29.05 C ATOM 659 CG LEU A 42 67.697 10.060 24.698 1.00 26.88 C ATOM 660 CD1 LEU A 42 67.219 10.248 26.130 1.00 23.36 C ATOM 661 CD2 LEU A 42 66.517 9.964 23.742 1.00 25.54 C ATOM 0 H LEU A 42 71.183 12.366 23.734 1.00 29.45 H new ATOM 0 HA LEU A 42 69.828 11.170 26.065 1.00 29.26 H new ATOM 0 HB2 LEU A 42 68.152 12.151 24.503 1.00 29.05 H new ATOM 0 HB3 LEU A 42 68.798 11.156 23.213 1.00 29.05 H new ATOM 0 HG LEU A 42 68.251 9.123 24.642 1.00 26.88 H new ATOM 0 HD11 LEU A 42 66.551 9.430 26.401 1.00 23.36 H new ATOM 0 HD12 LEU A 42 68.077 10.254 26.802 1.00 23.36 H new ATOM 0 HD13 LEU A 42 66.686 11.195 26.214 1.00 23.36 H new ATOM 0 HD21 LEU A 42 65.863 9.149 24.052 1.00 25.54 H new ATOM 0 HD22 LEU A 42 65.960 10.901 23.756 1.00 25.54 H new ATOM 0 HD23 LEU A 42 66.881 9.774 22.732 1.00 25.54 H new ATOM 673 N ASN A 43 70.657 8.895 25.415 1.00 30.44 N ATOM 674 CA ASN A 43 71.350 7.630 25.179 1.00 30.67 C ATOM 675 C ASN A 43 72.870 7.805 25.274 1.00 30.06 C ATOM 676 O ASN A 43 73.627 6.952 24.806 1.00 29.74 O ATOM 677 CB ASN A 43 70.975 7.040 23.811 1.00 31.77 C ATOM 678 CG ASN A 43 69.484 6.792 23.660 1.00 35.53 C ATOM 679 OD1 ASN A 43 68.957 5.795 24.152 1.00 36.31 O ATOM 680 ND2 ASN A 43 68.799 7.692 22.963 1.00 40.09 N ATOM 0 H ASN A 43 70.087 8.907 26.261 1.00 30.44 H new ATOM 0 HA ASN A 43 71.031 6.936 25.957 1.00 30.67 H new ATOM 0 HB2 ASN A 43 71.306 7.719 23.025 1.00 31.77 H new ATOM 0 HB3 ASN A 43 71.510 6.101 23.667 1.00 31.77 H new ATOM 0 HD21 ASN A 43 67.797 7.570 22.819 1.00 40.09 H new ATOM 0 HD22 ASN A 43 69.275 8.505 22.572 1.00 40.09 H new ATOM 687 N GLY A 44 73.317 8.910 25.888 1.00 30.57 N ATOM 688 CA GLY A 44 74.740 9.161 26.034 1.00 30.96 C ATOM 689 C GLY A 44 75.350 9.880 24.851 1.00 31.10 C ATOM 690 O GLY A 44 76.574 9.907 24.703 1.00 31.29 O ATOM 0 H GLY A 44 72.714 9.631 26.284 1.00 30.57 H new ATOM 0 HA2 GLY A 44 74.906 9.753 26.934 1.00 30.96 H new ATOM 0 HA3 GLY A 44 75.256 8.211 26.177 1.00 30.96 H new ATOM 694 N ARG A 45 74.508 10.463 24.008 1.00 31.28 N ATOM 695 CA ARG A 45 74.978 11.187 22.841 1.00 31.67 C ATOM 696 C ARG A 45 74.078 12.380 22.558 1.00 31.03 C ATOM 697 O ARG A 45 72.888 12.361 22.877 1.00 30.83 O ATOM 698 CB ARG A 45 75.032 10.258 21.622 1.00 32.25 C ATOM 699 CG ARG A 45 75.713 10.877 20.407 1.00 34.74 C ATOM 700 CD ARG A 45 77.164 11.233 20.699 1.00 39.98 C ATOM 701 NE ARG A 45 77.777 11.993 19.609 1.00 41.27 N ATOM 702 CZ ARG A 45 78.952 12.623 19.704 1.00 43.21 C ATOM 703 NH1 ARG A 45 79.651 12.585 20.836 1.00 42.18 N ATOM 704 NH2 ARG A 45 79.429 13.295 18.661 1.00 44.74 N ATOM 0 H ARG A 45 73.494 10.447 24.114 1.00 31.28 H new ATOM 0 HA ARG A 45 75.985 11.553 23.043 1.00 31.67 H new ATOM 0 HB2 ARG A 45 75.559 9.344 21.896 1.00 32.25 H new ATOM 0 HB3 ARG A 45 74.016 9.971 21.350 1.00 32.25 H new ATOM 0 HG2 ARG A 45 75.670 10.180 19.570 1.00 34.74 H new ATOM 0 HG3 ARG A 45 75.172 11.773 20.103 1.00 34.74 H new ATOM 0 HD2 ARG A 45 77.215 11.815 21.619 1.00 39.98 H new ATOM 0 HD3 ARG A 45 77.734 10.319 20.868 1.00 39.98 H new ATOM 0 HE ARG A 45 77.277 12.045 18.722 1.00 41.27 H new ATOM 0 HH11 ARG A 45 79.291 12.072 21.641 1.00 42.18 H new ATOM 0 HH12 ARG A 45 80.547 13.069 20.899 1.00 42.18 H new ATOM 0 HH21 ARG A 45 78.899 13.329 17.790 1.00 44.74 H new ATOM 0 HH22 ARG A 45 80.325 13.777 18.731 1.00 44.74 H new ATOM 718 N ARG A 46 74.648 13.410 21.949 1.00 30.68 N ATOM 719 CA ARG A 46 73.892 14.607 21.619 1.00 30.55 C ATOM 720 C ARG A 46 73.403 14.507 20.180 1.00 30.11 C ATOM 721 O ARG A 46 74.207 14.413 19.249 1.00 30.10 O ATOM 722 CB ARG A 46 74.746 15.864 21.810 1.00 30.46 C ATOM 723 CG ARG A 46 73.937 17.152 21.794 1.00 32.25 C ATOM 724 CD ARG A 46 74.832 18.381 21.801 0.01 32.39 C ATOM 725 NE ARG A 46 75.582 18.530 20.552 0.01 32.82 N ATOM 726 CZ ARG A 46 76.195 19.656 20.178 0.01 33.01 C ATOM 727 NH1 ARG A 46 76.154 20.738 20.953 0.01 33.12 N ATOM 728 NH2 ARG A 46 76.852 19.701 19.024 0.01 33.06 N ATOM 0 H ARG A 46 75.630 13.440 21.674 1.00 30.68 H new ATOM 0 HA ARG A 46 73.036 14.684 22.290 1.00 30.55 H new ATOM 0 HB2 ARG A 46 75.280 15.791 22.757 1.00 30.46 H new ATOM 0 HB3 ARG A 46 75.498 15.906 21.022 1.00 30.46 H new ATOM 0 HG2 ARG A 46 73.301 17.171 20.909 1.00 32.25 H new ATOM 0 HG3 ARG A 46 73.277 17.178 22.661 1.00 32.25 H new ATOM 0 HD2 ARG A 46 74.223 19.270 21.965 0.01 32.39 H new ATOM 0 HD3 ARG A 46 75.530 18.315 22.636 0.01 32.39 H new ATOM 0 HE ARG A 46 75.640 17.724 19.929 0.01 32.82 H new ATOM 0 HH11 ARG A 46 75.652 20.711 21.840 0.01 33.12 H new ATOM 0 HH12 ARG A 46 76.625 21.594 20.659 0.01 33.12 H new ATOM 0 HH21 ARG A 46 76.888 18.876 18.425 0.01 33.06 H new ATOM 0 HH22 ARG A 46 77.321 20.560 18.737 0.01 33.06 H new ATOM 742 N GLY A 47 72.088 14.524 20.001 1.00 29.77 N ATOM 743 CA GLY A 47 71.524 14.409 18.671 1.00 29.07 C ATOM 744 C GLY A 47 70.257 15.211 18.494 1.00 29.23 C ATOM 745 O GLY A 47 69.508 15.421 19.449 1.00 29.34 O ATOM 0 H GLY A 47 71.404 14.615 20.752 1.00 29.77 H new ATOM 0 HA2 GLY A 47 72.262 14.740 17.940 1.00 29.07 H new ATOM 0 HA3 GLY A 47 71.315 13.360 18.461 1.00 29.07 H new ATOM 749 N MET A 48 70.022 15.668 17.267 1.00 29.43 N ATOM 750 CA MET A 48 68.832 16.445 16.965 1.00 29.55 C ATOM 751 C MET A 48 67.624 15.529 16.817 1.00 29.74 C ATOM 752 O MET A 48 67.744 14.404 16.335 1.00 29.84 O ATOM 753 CB MET A 48 69.025 17.289 15.698 1.00 29.04 C ATOM 754 CG MET A 48 69.198 16.475 14.424 1.00 30.75 C ATOM 755 SD MET A 48 69.288 17.507 12.948 1.00 35.17 S ATOM 756 CE MET A 48 70.778 18.445 13.279 1.00 30.25 C ATOM 0 H MET A 48 70.640 15.512 16.471 1.00 29.43 H new ATOM 0 HA MET A 48 68.655 17.127 17.797 1.00 29.55 H new ATOM 0 HB2 MET A 48 68.165 17.948 15.580 1.00 29.04 H new ATOM 0 HB3 MET A 48 69.899 17.926 15.830 1.00 29.04 H new ATOM 0 HG2 MET A 48 70.106 15.877 14.500 1.00 30.75 H new ATOM 0 HG3 MET A 48 68.365 15.779 14.326 1.00 30.75 H new ATOM 0 HE1 MET A 48 70.929 19.180 12.488 1.00 30.25 H new ATOM 0 HE2 MET A 48 70.680 18.957 14.236 1.00 30.25 H new ATOM 0 HE3 MET A 48 71.633 17.770 13.315 1.00 30.25 H new ATOM 766 N PHE A 49 66.466 16.020 17.239 1.00 29.54 N ATOM 767 CA PHE A 49 65.231 15.242 17.165 1.00 29.48 C ATOM 768 C PHE A 49 64.039 16.131 16.820 1.00 29.94 C ATOM 769 O PHE A 49 64.074 17.342 17.043 1.00 30.17 O ATOM 770 CB PHE A 49 64.978 14.513 18.491 1.00 28.94 C ATOM 771 CG PHE A 49 65.383 15.310 19.698 1.00 27.57 C ATOM 772 CD1 PHE A 49 64.517 16.227 20.267 1.00 27.12 C ATOM 773 CD2 PHE A 49 66.641 15.148 20.255 1.00 25.70 C ATOM 774 CE1 PHE A 49 64.898 16.967 21.370 1.00 27.89 C ATOM 775 CE2 PHE A 49 67.025 15.883 21.357 1.00 25.62 C ATOM 776 CZ PHE A 49 66.152 16.795 21.914 1.00 26.82 C ATOM 0 H PHE A 49 66.354 16.953 17.636 1.00 29.54 H new ATOM 0 HA PHE A 49 65.347 14.505 16.371 1.00 29.48 H new ATOM 0 HB2 PHE A 49 63.919 14.268 18.566 1.00 28.94 H new ATOM 0 HB3 PHE A 49 65.524 13.570 18.488 1.00 28.94 H new ATOM 0 HD1 PHE A 49 63.533 16.366 19.845 1.00 27.12 H new ATOM 0 HD2 PHE A 49 67.329 14.438 19.821 1.00 25.70 H new ATOM 0 HE1 PHE A 49 64.213 17.680 21.805 1.00 27.89 H new ATOM 0 HE2 PHE A 49 68.008 15.745 21.783 1.00 25.62 H new ATOM 0 HZ PHE A 49 66.451 17.373 22.776 1.00 26.82 H new ATOM 786 N PRO A 50 62.962 15.534 16.274 1.00 30.08 N ATOM 787 CA PRO A 50 61.755 16.275 15.890 1.00 29.95 C ATOM 788 C PRO A 50 61.075 16.958 17.078 1.00 29.91 C ATOM 789 O PRO A 50 61.078 16.438 18.196 1.00 30.19 O ATOM 790 CB PRO A 50 60.835 15.202 15.295 1.00 29.61 C ATOM 791 CG PRO A 50 61.729 14.054 14.972 1.00 29.35 C ATOM 792 CD PRO A 50 62.837 14.096 15.982 1.00 30.28 C ATOM 0 HA PRO A 50 61.991 17.083 15.197 1.00 29.95 H new ATOM 0 HB2 PRO A 50 60.061 14.910 16.004 1.00 29.61 H new ATOM 0 HB3 PRO A 50 60.328 15.569 14.403 1.00 29.61 H new ATOM 0 HG2 PRO A 50 61.187 13.110 15.027 1.00 29.35 H new ATOM 0 HG3 PRO A 50 62.121 14.138 13.959 1.00 29.35 H new ATOM 0 HD2 PRO A 50 62.591 13.522 16.876 1.00 30.28 H new ATOM 0 HD3 PRO A 50 63.763 13.683 15.583 1.00 30.28 H new ATOM 800 N ASP A 51 60.495 18.128 16.815 1.00 30.10 N ATOM 801 CA ASP A 51 59.805 18.909 17.843 1.00 30.42 C ATOM 802 C ASP A 51 58.510 18.232 18.309 1.00 30.47 C ATOM 803 O ASP A 51 58.173 18.279 19.493 1.00 31.18 O ATOM 804 CB ASP A 51 59.496 20.318 17.319 1.00 29.76 C ATOM 805 CG ASP A 51 58.437 20.320 16.230 1.00 30.04 C ATOM 806 OD1 ASP A 51 58.723 19.824 15.119 1.00 29.54 O ATOM 807 OD2 ASP A 51 57.320 20.816 16.489 1.00 32.21 O ATOM 0 H ASP A 51 60.489 18.560 15.891 1.00 30.10 H new ATOM 0 HA ASP A 51 60.472 18.975 18.702 1.00 30.42 H new ATOM 0 HB2 ASP A 51 59.161 20.943 18.147 1.00 29.76 H new ATOM 0 HB3 ASP A 51 60.411 20.766 16.931 1.00 29.76 H new ATOM 812 N ASN A 52 57.790 17.602 17.374 1.00 30.26 N ATOM 813 CA ASN A 52 56.524 16.930 17.692 1.00 30.67 C ATOM 814 C ASN A 52 56.725 15.556 18.347 1.00 30.83 C ATOM 815 O ASN A 52 55.750 14.842 18.595 1.00 31.21 O ATOM 816 CB ASN A 52 55.673 16.770 16.427 1.00 30.81 C ATOM 817 CG ASN A 52 55.364 18.096 15.754 1.00 32.54 C ATOM 818 OD1 ASN A 52 54.423 18.791 16.133 1.00 34.54 O ATOM 819 ND2 ASN A 52 56.150 18.447 14.739 1.00 33.43 N ATOM 0 H ASN A 52 58.061 17.543 16.393 1.00 30.26 H new ATOM 0 HA ASN A 52 56.010 17.565 18.414 1.00 30.67 H new ATOM 0 HB2 ASN A 52 56.196 16.123 15.722 1.00 30.81 H new ATOM 0 HB3 ASN A 52 54.738 16.272 16.684 1.00 30.81 H new ATOM 0 HD21 ASN A 52 55.982 19.322 14.243 1.00 33.43 H new ATOM 0 HD22 ASN A 52 56.920 17.841 14.457 1.00 33.43 H new ATOM 826 N PHE A 53 57.975 15.186 18.633 1.00 30.61 N ATOM 827 CA PHE A 53 58.269 13.895 19.252 1.00 30.73 C ATOM 828 C PHE A 53 58.691 14.062 20.710 1.00 30.75 C ATOM 829 O PHE A 53 58.561 13.134 21.508 1.00 30.72 O ATOM 830 CB PHE A 53 59.352 13.160 18.462 1.00 30.73 C ATOM 831 CG PHE A 53 58.843 12.521 17.198 1.00 31.62 C ATOM 832 CD1 PHE A 53 58.324 13.295 16.171 1.00 33.29 C ATOM 833 CD2 PHE A 53 58.881 11.146 17.039 1.00 30.86 C ATOM 834 CE1 PHE A 53 57.855 12.709 15.011 1.00 34.04 C ATOM 835 CE2 PHE A 53 58.412 10.554 15.881 1.00 31.53 C ATOM 836 CZ PHE A 53 57.900 11.337 14.865 1.00 31.02 C ATOM 0 H PHE A 53 58.796 15.761 18.446 1.00 30.61 H new ATOM 0 HA PHE A 53 57.357 13.299 19.235 1.00 30.73 H new ATOM 0 HB2 PHE A 53 60.147 13.862 18.210 1.00 30.73 H new ATOM 0 HB3 PHE A 53 59.795 12.391 19.096 1.00 30.73 H new ATOM 0 HD1 PHE A 53 58.286 14.369 16.279 1.00 33.29 H new ATOM 0 HD2 PHE A 53 59.282 10.529 17.829 1.00 30.86 H new ATOM 0 HE1 PHE A 53 57.453 13.324 14.219 1.00 34.04 H new ATOM 0 HE2 PHE A 53 58.446 9.480 15.771 1.00 31.53 H new ATOM 0 HZ PHE A 53 57.536 10.877 13.958 1.00 31.02 H new ATOM 846 N VAL A 54 59.206 15.246 21.049 1.00 30.38 N ATOM 847 CA VAL A 54 59.626 15.543 22.409 1.00 29.81 C ATOM 848 C VAL A 54 58.854 16.745 22.946 1.00 29.88 C ATOM 849 O VAL A 54 58.616 17.713 22.222 1.00 30.21 O ATOM 850 CB VAL A 54 61.141 15.831 22.494 1.00 30.12 C ATOM 851 CG1 VAL A 54 61.944 14.591 22.130 1.00 31.54 C ATOM 852 CG2 VAL A 54 61.520 17.003 21.599 1.00 29.97 C ATOM 0 H VAL A 54 59.340 16.015 20.392 1.00 30.38 H new ATOM 0 HA VAL A 54 59.413 14.662 23.014 1.00 29.81 H new ATOM 0 HB VAL A 54 61.379 16.101 23.523 1.00 30.12 H new ATOM 0 HG11 VAL A 54 63.009 14.815 22.196 1.00 31.54 H new ATOM 0 HG12 VAL A 54 61.699 13.784 22.820 1.00 31.54 H new ATOM 0 HG13 VAL A 54 61.700 14.285 21.113 1.00 31.54 H new ATOM 0 HG21 VAL A 54 62.592 17.187 21.675 1.00 29.97 H new ATOM 0 HG22 VAL A 54 61.265 16.769 20.565 1.00 29.97 H new ATOM 0 HG23 VAL A 54 60.975 17.893 21.915 1.00 29.97 H new ATOM 862 N LYS A 55 58.462 16.678 24.212 1.00 29.74 N ATOM 863 CA LYS A 55 57.717 17.764 24.838 1.00 29.89 C ATOM 864 C LYS A 55 58.457 18.277 26.065 1.00 30.09 C ATOM 865 O LYS A 55 58.895 17.492 26.906 1.00 30.59 O ATOM 866 CB LYS A 55 56.309 17.303 25.222 1.00 29.70 C ATOM 867 CG LYS A 55 55.483 16.834 24.035 1.00 27.87 C ATOM 868 CD LYS A 55 54.028 16.610 24.417 1.00 28.45 C ATOM 869 CE LYS A 55 53.231 16.017 23.262 1.00 29.83 C ATOM 870 NZ LYS A 55 53.201 16.920 22.077 1.00 29.81 N ATOM 0 H LYS A 55 58.647 15.884 24.825 1.00 29.74 H new ATOM 0 HA LYS A 55 57.628 18.577 24.118 1.00 29.89 H new ATOM 0 HB2 LYS A 55 56.385 16.491 25.946 1.00 29.70 H new ATOM 0 HB3 LYS A 55 55.788 18.123 25.716 1.00 29.70 H new ATOM 0 HG2 LYS A 55 55.540 17.574 23.237 1.00 27.87 H new ATOM 0 HG3 LYS A 55 55.903 15.908 23.642 1.00 27.87 H new ATOM 0 HD2 LYS A 55 53.975 15.942 25.277 1.00 28.45 H new ATOM 0 HD3 LYS A 55 53.581 17.557 24.721 1.00 28.45 H new ATOM 0 HE2 LYS A 55 53.666 15.059 22.976 1.00 29.83 H new ATOM 0 HE3 LYS A 55 52.211 15.818 23.591 1.00 29.83 H new ATOM 0 HZ1 LYS A 55 52.540 16.542 21.369 1.00 29.81 H new ATOM 0 HZ2 LYS A 55 52.889 17.868 22.370 1.00 29.81 H new ATOM 0 HZ3 LYS A 55 54.153 16.982 21.664 1.00 29.81 H new ATOM 884 N GLU A 56 58.598 19.598 26.163 1.00 29.95 N ATOM 885 CA GLU A 56 59.297 20.211 27.287 1.00 29.73 C ATOM 886 C GLU A 56 58.693 19.752 28.611 1.00 29.58 C ATOM 887 O GLU A 56 57.474 19.785 28.790 1.00 30.02 O ATOM 888 CB GLU A 56 59.241 21.737 27.188 1.00 29.71 C ATOM 889 CG GLU A 56 60.173 22.444 28.159 1.00 28.77 C ATOM 890 CD GLU A 56 60.091 23.954 28.054 1.00 31.39 C ATOM 891 OE1 GLU A 56 60.689 24.516 27.112 1.00 32.19 O ATOM 892 OE2 GLU A 56 59.428 24.573 28.911 1.00 31.09 O ATOM 0 H GLU A 56 58.237 20.262 25.478 1.00 29.95 H new ATOM 0 HA GLU A 56 60.340 19.895 27.250 1.00 29.73 H new ATOM 0 HB2 GLU A 56 59.494 22.036 26.171 1.00 29.71 H new ATOM 0 HB3 GLU A 56 58.219 22.068 27.372 1.00 29.71 H new ATOM 0 HG2 GLU A 56 59.928 22.141 29.177 1.00 28.77 H new ATOM 0 HG3 GLU A 56 61.198 22.126 27.969 1.00 28.77 H new ATOM 899 N ILE A 57 59.551 19.325 29.538 1.00 29.23 N ATOM 900 CA ILE A 57 59.091 18.855 30.839 1.00 29.24 C ATOM 901 C ILE A 57 58.962 20.019 31.821 1.00 29.93 C ATOM 902 O ILE A 57 59.882 20.308 32.590 1.00 30.54 O ATOM 903 CB ILE A 57 60.029 17.773 31.423 1.00 28.57 C ATOM 904 CG1 ILE A 57 60.199 16.623 30.422 1.00 28.31 C ATOM 905 CG2 ILE A 57 59.486 17.253 32.749 1.00 25.77 C ATOM 906 CD1 ILE A 57 61.081 15.496 30.924 1.00 28.60 C ATOM 0 H ILE A 57 60.563 19.296 29.411 1.00 29.23 H new ATOM 0 HA ILE A 57 58.110 18.405 30.689 1.00 29.24 H new ATOM 0 HB ILE A 57 61.005 18.221 31.607 1.00 28.57 H new ATOM 0 HG12 ILE A 57 59.216 16.220 30.176 1.00 28.31 H new ATOM 0 HG13 ILE A 57 60.622 17.018 29.498 1.00 28.31 H new ATOM 0 HG21 ILE A 57 60.159 16.493 33.145 1.00 25.77 H new ATOM 0 HG22 ILE A 57 59.411 18.076 33.459 1.00 25.77 H new ATOM 0 HG23 ILE A 57 58.499 16.818 32.592 1.00 25.77 H new ATOM 0 HD11 ILE A 57 61.152 14.722 30.160 1.00 28.60 H new ATOM 0 HD12 ILE A 57 62.076 15.883 31.142 1.00 28.60 H new ATOM 0 HD13 ILE A 57 60.649 15.072 31.831 1.00 28.60 H new ATOM 918 N LYS A 58 57.815 20.695 31.770 1.00 30.45 N ATOM 919 CA LYS A 58 57.546 21.833 32.647 1.00 30.98 C ATOM 920 C LYS A 58 57.146 21.361 34.045 1.00 30.73 C ATOM 921 O LYS A 58 57.980 21.479 34.966 1.00 30.38 O ATOM 922 CB LYS A 58 56.448 22.722 32.050 1.00 31.05 C ATOM 923 CG LYS A 58 56.789 23.274 30.675 1.00 32.79 C ATOM 924 CD LYS A 58 55.649 24.108 30.110 1.00 35.98 C ATOM 925 CE LYS A 58 55.967 24.611 28.710 1.00 37.92 C ATOM 926 NZ LYS A 58 54.839 25.386 28.125 1.00 40.63 N ATOM 927 OXT LYS A 58 56.005 20.872 34.207 1.00 30.38 O ATOM 0 H LYS A 58 57.054 20.473 31.128 1.00 30.45 H new ATOM 0 HA LYS A 58 58.461 22.419 32.733 1.00 30.98 H new ATOM 0 HB2 LYS A 58 55.524 22.147 31.982 1.00 31.05 H new ATOM 0 HB3 LYS A 58 56.257 23.553 32.728 1.00 31.05 H new ATOM 0 HG2 LYS A 58 57.690 23.884 30.740 1.00 32.79 H new ATOM 0 HG3 LYS A 58 57.010 22.451 29.996 1.00 32.79 H new ATOM 0 HD2 LYS A 58 54.738 23.511 30.085 1.00 35.98 H new ATOM 0 HD3 LYS A 58 55.456 24.956 30.767 1.00 35.98 H new ATOM 0 HE2 LYS A 58 56.858 25.238 28.744 1.00 37.92 H new ATOM 0 HE3 LYS A 58 56.198 23.764 28.064 1.00 37.92 H new ATOM 0 HZ1 LYS A 58 55.098 25.710 27.171 1.00 40.63 H new ATOM 0 HZ2 LYS A 58 53.995 24.781 28.068 1.00 40.63 H new ATOM 0 HZ3 LYS A 58 54.635 26.209 28.726 1.00 40.63 H new