USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=8 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=-0.0058) USER MOD Single : A 19 THR OG1 : rot -122:sc= -1.44 USER MOD Single : A 28 ASN : amide:sc= -2.09 K(o=-2.1,f=-6.4!) USER MOD Single : A 30 LYS NZ :NH3+ 168:sc= -0.0287 (180deg=-0.146) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.686 X(o=-0.69,f=-1) USER MOD Single : A 43 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.42) USER MOD Single : A 48 MET CE :methyl -178:sc= 0 (180deg=-0.00645) USER MOD Single : A 52 ASN : amide:sc= 0.0247 X(o=0.025,f=-0.34) USER MOD Single : A 55 LYS NZ :NH3+ -161:sc= 0.378 (180deg=-0.172) USER MOD Single : A 58 LYS NZ :NH3+ 136:sc=-0.00878 (180deg=-0.275) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 66.076 23.657 28.586 1.00 28.47 N ATOM 2 CA VAL A 2 65.329 22.753 29.504 1.00 27.63 C ATOM 3 C VAL A 2 65.319 21.317 28.983 1.00 27.22 C ATOM 4 O VAL A 2 65.667 21.064 27.828 1.00 27.29 O ATOM 5 CB VAL A 2 63.868 23.221 29.708 1.00 29.44 C ATOM 6 CG1 VAL A 2 63.826 24.572 30.409 1.00 30.68 C ATOM 7 CG2 VAL A 2 63.124 23.280 28.379 1.00 28.06 C ATOM 0 HA VAL A 2 65.849 22.788 30.461 1.00 27.63 H new ATOM 0 HB VAL A 2 63.367 22.491 30.344 1.00 29.44 H new ATOM 0 HG11 VAL A 2 62.789 24.881 30.542 1.00 30.68 H new ATOM 0 HG12 VAL A 2 64.308 24.492 31.383 1.00 30.68 H new ATOM 0 HG13 VAL A 2 64.351 25.312 29.805 1.00 30.68 H new ATOM 0 HG21 VAL A 2 62.100 23.612 28.550 1.00 28.06 H new ATOM 0 HG22 VAL A 2 63.626 23.981 27.712 1.00 28.06 H new ATOM 0 HG23 VAL A 2 63.114 22.290 27.924 1.00 28.06 H new ATOM 19 N ASP A 3 64.907 20.383 29.839 1.00 25.50 N ATOM 20 CA ASP A 3 64.852 18.972 29.468 1.00 24.73 C ATOM 21 C ASP A 3 63.531 18.646 28.775 1.00 23.55 C ATOM 22 O ASP A 3 62.521 19.321 28.991 1.00 25.41 O ATOM 23 CB ASP A 3 65.045 18.081 30.702 1.00 24.12 C ATOM 24 CG ASP A 3 63.992 18.317 31.769 1.00 23.15 C ATOM 25 OD1 ASP A 3 64.165 19.252 32.579 1.00 27.21 O ATOM 26 OD2 ASP A 3 62.996 17.567 31.795 1.00 23.64 O ATOM 0 H ASP A 3 64.607 20.579 30.794 1.00 25.50 H new ATOM 0 HA ASP A 3 65.664 18.773 28.768 1.00 24.73 H new ATOM 0 HB2 ASP A 3 65.018 17.035 30.397 1.00 24.12 H new ATOM 0 HB3 ASP A 3 66.032 18.264 31.126 1.00 24.12 H new ATOM 31 N TYR A 4 63.547 17.605 27.947 1.00 22.85 N ATOM 32 CA TYR A 4 62.358 17.190 27.209 1.00 20.38 C ATOM 33 C TYR A 4 62.074 15.706 27.409 1.00 19.62 C ATOM 34 O TYR A 4 62.985 14.912 27.645 1.00 19.45 O ATOM 35 CB TYR A 4 62.527 17.477 25.714 1.00 20.51 C ATOM 36 CG TYR A 4 62.213 18.902 25.305 1.00 22.09 C ATOM 37 CD1 TYR A 4 62.898 19.978 25.858 1.00 20.17 C ATOM 38 CD2 TYR A 4 61.238 19.168 24.352 1.00 21.07 C ATOM 39 CE1 TYR A 4 62.618 21.276 25.475 1.00 24.84 C ATOM 40 CE2 TYR A 4 60.955 20.462 23.962 1.00 21.00 C ATOM 41 CZ TYR A 4 61.646 21.513 24.527 1.00 23.27 C ATOM 42 OH TYR A 4 61.368 22.806 24.141 1.00 23.97 O ATOM 0 H TYR A 4 64.372 17.032 27.770 1.00 22.85 H new ATOM 0 HA TYR A 4 61.515 17.763 27.596 1.00 20.38 H new ATOM 0 HB2 TYR A 4 63.554 17.249 25.428 1.00 20.51 H new ATOM 0 HB3 TYR A 4 61.882 16.801 25.153 1.00 20.51 H new ATOM 0 HD1 TYR A 4 63.662 19.796 26.600 1.00 20.17 H new ATOM 0 HD2 TYR A 4 60.692 18.349 23.908 1.00 21.07 H new ATOM 0 HE1 TYR A 4 63.158 22.101 25.916 1.00 24.84 H new ATOM 0 HE2 TYR A 4 60.196 20.650 23.218 1.00 21.00 H new ATOM 0 HH TYR A 4 60.659 22.800 23.465 1.00 23.97 H new ATOM 52 N ILE A 5 60.799 15.346 27.312 1.00 19.64 N ATOM 53 CA ILE A 5 60.373 13.961 27.451 1.00 17.42 C ATOM 54 C ILE A 5 59.856 13.455 26.109 1.00 15.48 C ATOM 55 O ILE A 5 59.066 14.129 25.449 1.00 13.64 O ATOM 56 CB ILE A 5 59.282 13.793 28.539 1.00 17.05 C ATOM 57 CG1 ILE A 5 58.916 12.316 28.716 1.00 18.26 C ATOM 58 CG2 ILE A 5 58.041 14.614 28.208 1.00 17.24 C ATOM 59 CD1 ILE A 5 59.970 11.514 29.450 1.00 24.60 C ATOM 0 H ILE A 5 60.038 16.002 27.136 1.00 19.64 H new ATOM 0 HA ILE A 5 61.235 13.373 27.766 1.00 17.42 H new ATOM 0 HB ILE A 5 59.690 14.164 29.479 1.00 17.05 H new ATOM 0 HG12 ILE A 5 57.974 12.246 29.260 1.00 18.26 H new ATOM 0 HG13 ILE A 5 58.751 11.871 27.735 1.00 18.26 H new ATOM 0 HG21 ILE A 5 57.294 14.475 28.990 1.00 17.24 H new ATOM 0 HG22 ILE A 5 58.309 15.669 28.145 1.00 17.24 H new ATOM 0 HG23 ILE A 5 57.632 14.286 27.253 1.00 17.24 H new ATOM 0 HD11 ILE A 5 59.643 10.478 29.538 1.00 24.60 H new ATOM 0 HD12 ILE A 5 60.908 11.552 28.896 1.00 24.60 H new ATOM 0 HD13 ILE A 5 60.119 11.933 30.445 1.00 24.60 H new ATOM 71 N VAL A 6 60.295 12.269 25.712 1.00 14.88 N ATOM 72 CA VAL A 6 59.886 11.701 24.436 1.00 16.39 C ATOM 73 C VAL A 6 58.475 11.134 24.524 1.00 16.73 C ATOM 74 O VAL A 6 58.183 10.301 25.381 1.00 16.60 O ATOM 75 CB VAL A 6 60.849 10.593 23.965 1.00 14.83 C ATOM 76 CG1 VAL A 6 60.473 10.113 22.570 1.00 13.66 C ATOM 77 CG2 VAL A 6 62.292 11.081 23.994 1.00 14.68 C ATOM 0 H VAL A 6 60.932 11.684 26.253 1.00 14.88 H new ATOM 0 HA VAL A 6 59.910 12.512 23.708 1.00 16.39 H new ATOM 0 HB VAL A 6 60.761 9.752 24.653 1.00 14.83 H new ATOM 0 HG11 VAL A 6 61.164 9.331 22.256 1.00 13.66 H new ATOM 0 HG12 VAL A 6 59.458 9.716 22.583 1.00 13.66 H new ATOM 0 HG13 VAL A 6 60.527 10.948 21.871 1.00 13.66 H new ATOM 0 HG21 VAL A 6 62.953 10.282 23.658 1.00 14.68 H new ATOM 0 HG22 VAL A 6 62.398 11.942 23.334 1.00 14.68 H new ATOM 0 HG23 VAL A 6 62.559 11.368 25.011 1.00 14.68 H new ATOM 87 N GLU A 7 57.602 11.607 23.643 1.00 18.22 N ATOM 88 CA GLU A 7 56.220 11.145 23.606 1.00 19.75 C ATOM 89 C GLU A 7 55.962 10.272 22.376 1.00 19.66 C ATOM 90 O GLU A 7 54.971 9.540 22.328 1.00 19.94 O ATOM 91 CB GLU A 7 55.258 12.336 23.613 1.00 22.09 C ATOM 92 CG GLU A 7 55.458 13.283 24.788 1.00 24.09 C ATOM 93 CD GLU A 7 55.333 12.590 26.132 1.00 26.56 C ATOM 94 OE1 GLU A 7 54.189 12.367 26.581 1.00 25.20 O ATOM 95 OE2 GLU A 7 56.379 12.269 26.733 1.00 30.58 O ATOM 0 H GLU A 7 57.828 12.313 22.942 1.00 18.22 H new ATOM 0 HA GLU A 7 56.046 10.541 24.497 1.00 19.75 H new ATOM 0 HB2 GLU A 7 55.379 12.894 22.685 1.00 22.09 H new ATOM 0 HB3 GLU A 7 54.234 11.963 23.630 1.00 22.09 H new ATOM 0 HG2 GLU A 7 56.443 13.744 24.713 1.00 24.09 H new ATOM 0 HG3 GLU A 7 54.724 14.087 24.730 1.00 24.09 H new ATOM 102 N TYR A 8 56.853 10.357 21.383 1.00 20.46 N ATOM 103 CA TYR A 8 56.725 9.574 20.158 1.00 18.95 C ATOM 104 C TYR A 8 58.060 8.929 19.788 1.00 19.02 C ATOM 105 O TYR A 8 59.119 9.542 19.942 1.00 15.87 O ATOM 106 CB TYR A 8 56.237 10.463 19.011 1.00 21.85 C ATOM 107 CG TYR A 8 54.908 11.135 19.279 1.00 18.43 C ATOM 108 CD1 TYR A 8 54.838 12.316 20.010 1.00 20.37 C ATOM 109 CD2 TYR A 8 53.723 10.589 18.802 1.00 19.22 C ATOM 110 CE1 TYR A 8 53.627 12.933 20.255 1.00 20.58 C ATOM 111 CE2 TYR A 8 52.506 11.201 19.044 1.00 20.17 C ATOM 112 CZ TYR A 8 52.465 12.373 19.771 1.00 21.70 C ATOM 113 OH TYR A 8 51.256 12.988 20.015 1.00 22.64 O ATOM 0 H TYR A 8 57.672 10.964 21.408 1.00 20.46 H new ATOM 0 HA TYR A 8 55.994 8.784 20.331 1.00 18.95 H new ATOM 0 HB2 TYR A 8 56.987 11.229 18.814 1.00 21.85 H new ATOM 0 HB3 TYR A 8 56.152 9.859 18.107 1.00 21.85 H new ATOM 0 HD1 TYR A 8 55.746 12.758 20.393 1.00 20.37 H new ATOM 0 HD2 TYR A 8 53.752 9.672 18.233 1.00 19.22 H new ATOM 0 HE1 TYR A 8 53.591 13.851 20.824 1.00 20.58 H new ATOM 0 HE2 TYR A 8 51.594 10.764 18.666 1.00 20.17 H new ATOM 0 HH TYR A 8 50.535 12.466 19.605 1.00 22.64 H new ATOM 123 N ASP A 9 58.002 7.692 19.298 1.00 19.32 N ATOM 124 CA ASP A 9 59.207 6.965 18.898 1.00 19.54 C ATOM 125 C ASP A 9 59.709 7.457 17.540 1.00 19.44 C ATOM 126 O ASP A 9 58.944 7.513 16.575 1.00 22.24 O ATOM 127 CB ASP A 9 58.934 5.458 18.828 1.00 19.40 C ATOM 128 CG ASP A 9 58.517 4.871 20.164 1.00 19.30 C ATOM 129 OD1 ASP A 9 59.391 4.702 21.040 1.00 22.70 O ATOM 130 OD2 ASP A 9 57.316 4.572 20.332 1.00 22.49 O ATOM 0 H ASP A 9 57.134 7.172 19.168 1.00 19.32 H new ATOM 0 HA ASP A 9 59.974 7.152 19.650 1.00 19.54 H new ATOM 0 HB2 ASP A 9 58.151 5.269 18.094 1.00 19.40 H new ATOM 0 HB3 ASP A 9 59.830 4.947 18.476 1.00 19.40 H new ATOM 135 N TYR A 10 60.994 7.807 17.472 1.00 19.80 N ATOM 136 CA TYR A 10 61.593 8.293 16.229 1.00 19.14 C ATOM 137 C TYR A 10 62.830 7.475 15.866 1.00 19.27 C ATOM 138 O TYR A 10 63.662 7.176 16.726 1.00 19.65 O ATOM 139 CB TYR A 10 61.963 9.774 16.351 1.00 18.98 C ATOM 140 CG TYR A 10 62.268 10.430 15.021 1.00 18.21 C ATOM 141 CD1 TYR A 10 61.244 10.826 14.170 1.00 16.11 C ATOM 142 CD2 TYR A 10 63.579 10.647 14.613 1.00 18.09 C ATOM 143 CE1 TYR A 10 61.515 11.422 12.954 1.00 18.99 C ATOM 144 CE2 TYR A 10 63.858 11.243 13.398 1.00 17.82 C ATOM 145 CZ TYR A 10 62.824 11.628 12.573 1.00 19.73 C ATOM 146 OH TYR A 10 63.099 12.221 11.361 1.00 19.88 O ATOM 0 H TYR A 10 61.639 7.763 18.261 1.00 19.80 H new ATOM 0 HA TYR A 10 60.855 8.179 15.435 1.00 19.14 H new ATOM 0 HB2 TYR A 10 61.142 10.307 16.831 1.00 18.98 H new ATOM 0 HB3 TYR A 10 62.831 9.871 17.003 1.00 18.98 H new ATOM 0 HD1 TYR A 10 60.218 10.665 14.465 1.00 16.11 H new ATOM 0 HD2 TYR A 10 64.393 10.345 15.256 1.00 18.09 H new ATOM 0 HE1 TYR A 10 60.706 11.725 12.305 1.00 18.99 H new ATOM 0 HE2 TYR A 10 64.882 11.406 13.096 1.00 17.82 H new ATOM 0 HH TYR A 10 64.069 12.294 11.245 1.00 19.88 H new ATOM 156 N ASP A 11 62.944 7.122 14.587 1.00 20.91 N ATOM 157 CA ASP A 11 64.074 6.337 14.101 1.00 21.74 C ATOM 158 C ASP A 11 65.174 7.245 13.557 1.00 21.42 C ATOM 159 O ASP A 11 64.953 8.006 12.613 1.00 22.26 O ATOM 160 CB ASP A 11 63.618 5.357 13.015 1.00 22.27 C ATOM 161 CG ASP A 11 64.760 4.509 12.480 1.00 23.57 C ATOM 162 OD1 ASP A 11 65.023 3.435 13.059 1.00 26.05 O ATOM 163 OD2 ASP A 11 65.390 4.923 11.483 1.00 24.76 O ATOM 0 H ASP A 11 62.264 7.369 13.867 1.00 20.91 H new ATOM 0 HA ASP A 11 64.477 5.771 14.941 1.00 21.74 H new ATOM 0 HB2 ASP A 11 62.844 4.705 13.420 1.00 22.27 H new ATOM 0 HB3 ASP A 11 63.167 5.914 12.193 1.00 22.27 H new ATOM 168 N ALA A 12 66.357 7.161 14.164 1.00 20.92 N ATOM 169 CA ALA A 12 67.497 7.964 13.737 1.00 22.85 C ATOM 170 C ALA A 12 68.011 7.507 12.377 1.00 25.49 C ATOM 171 O ALA A 12 68.660 6.465 12.262 1.00 26.15 O ATOM 172 CB ALA A 12 68.612 7.913 14.769 1.00 20.93 C ATOM 0 H ALA A 12 66.549 6.544 14.953 1.00 20.92 H new ATOM 0 HA ALA A 12 67.159 8.996 13.644 1.00 22.85 H new ATOM 0 HB1 ALA A 12 69.451 8.519 14.428 1.00 20.93 H new ATOM 0 HB2 ALA A 12 68.246 8.301 15.719 1.00 20.93 H new ATOM 0 HB3 ALA A 12 68.939 6.882 14.900 1.00 20.93 H new ATOM 178 N VAL A 13 67.707 8.295 11.350 1.00 27.78 N ATOM 179 CA VAL A 13 68.140 7.993 9.992 0.50 28.61 C ATOM 180 C VAL A 13 69.504 8.623 9.723 1.00 29.89 C ATOM 181 O VAL A 13 70.329 8.056 9.005 1.00 31.71 O ATOM 182 CB VAL A 13 67.123 8.498 8.943 0.50 28.07 C ATOM 183 CG1 VAL A 13 67.564 8.119 7.535 0.50 26.47 C ATOM 184 CG2 VAL A 13 65.732 7.952 9.235 0.50 28.31 C ATOM 0 H VAL A 13 67.160 9.151 11.435 1.00 27.78 H new ATOM 0 HA VAL A 13 68.210 6.909 9.904 0.50 28.61 H new ATOM 0 HB VAL A 13 67.084 9.585 9.006 0.50 28.07 H new ATOM 0 HG11 VAL A 13 66.833 8.485 6.814 0.50 26.47 H new ATOM 0 HG12 VAL A 13 68.536 8.566 7.325 0.50 26.47 H new ATOM 0 HG13 VAL A 13 67.639 7.034 7.457 0.50 26.47 H new ATOM 0 HG21 VAL A 13 65.032 8.320 8.485 0.50 28.31 H new ATOM 0 HG22 VAL A 13 65.755 6.863 9.206 0.50 28.31 H new ATOM 0 HG23 VAL A 13 65.412 8.282 10.223 0.50 28.31 H new ATOM 194 N HIS A 14 69.728 9.800 10.309 1.00 31.70 N ATOM 195 CA HIS A 14 70.990 10.513 10.150 1.00 32.50 C ATOM 196 C HIS A 14 71.969 10.120 11.253 1.00 32.86 C ATOM 197 O HIS A 14 71.603 9.418 12.199 1.00 33.89 O ATOM 198 CB HIS A 14 70.757 12.029 10.179 1.00 33.28 C ATOM 199 CG HIS A 14 69.708 12.496 9.220 1.00 35.00 C ATOM 200 ND1 HIS A 14 68.426 12.825 9.610 1.00 35.25 N ATOM 201 CD2 HIS A 14 69.751 12.690 7.881 1.00 35.89 C ATOM 202 CE1 HIS A 14 67.729 13.200 8.554 1.00 36.93 C ATOM 203 NE2 HIS A 14 68.510 13.128 7.493 1.00 37.29 N ATOM 0 H HIS A 14 69.048 10.279 10.899 1.00 31.70 H new ATOM 0 HA HIS A 14 71.416 10.239 9.185 1.00 32.50 H new ATOM 0 HB2 HIS A 14 70.471 12.324 11.188 1.00 33.28 H new ATOM 0 HB3 HIS A 14 71.695 12.536 9.953 1.00 33.28 H new ATOM 0 HD2 HIS A 14 70.604 12.530 7.238 1.00 35.89 H new ATOM 0 HE1 HIS A 14 66.695 13.513 8.558 1.00 36.93 H new ATOM 0 HE2 HIS A 14 68.236 13.360 6.539 1.00 37.29 H new ATOM 212 N ASP A 15 73.212 10.576 11.128 1.00 33.94 N ATOM 213 CA ASP A 15 74.241 10.277 12.121 1.00 35.16 C ATOM 214 C ASP A 15 74.062 11.158 13.354 1.00 33.77 C ATOM 215 O ASP A 15 74.281 10.715 14.482 1.00 32.75 O ATOM 216 CB ASP A 15 75.640 10.469 11.528 1.00 38.42 C ATOM 217 CG ASP A 15 75.929 9.499 10.397 1.00 42.27 C ATOM 218 OD1 ASP A 15 75.630 9.838 9.233 1.00 45.18 O ATOM 219 OD2 ASP A 15 76.452 8.399 10.677 1.00 43.52 O ATOM 0 H ASP A 15 73.532 11.153 10.350 1.00 33.94 H new ATOM 0 HA ASP A 15 74.135 9.234 12.419 1.00 35.16 H new ATOM 0 HB2 ASP A 15 75.738 11.490 11.161 1.00 38.42 H new ATOM 0 HB3 ASP A 15 76.385 10.339 12.313 1.00 38.42 H new ATOM 224 N ASP A 16 73.660 12.412 13.128 1.00 32.66 N ATOM 225 CA ASP A 16 73.427 13.357 14.215 1.00 32.09 C ATOM 226 C ASP A 16 71.956 13.336 14.653 1.00 28.99 C ATOM 227 O ASP A 16 71.501 14.238 15.356 1.00 29.32 O ATOM 228 CB ASP A 16 73.832 14.773 13.785 1.00 33.11 C ATOM 229 CG ASP A 16 72.989 15.300 12.637 1.00 34.80 C ATOM 230 OD1 ASP A 16 73.266 14.933 11.477 1.00 35.42 O ATOM 231 OD2 ASP A 16 72.051 16.081 12.901 1.00 35.07 O ATOM 0 H ASP A 16 73.490 12.794 12.198 1.00 32.66 H new ATOM 0 HA ASP A 16 74.041 13.057 15.064 1.00 32.09 H new ATOM 0 HB2 ASP A 16 73.741 15.447 14.637 1.00 33.11 H new ATOM 0 HB3 ASP A 16 74.881 14.773 13.490 1.00 33.11 H new ATOM 236 N GLU A 17 71.223 12.295 14.241 1.00 26.24 N ATOM 237 CA GLU A 17 69.817 12.153 14.590 1.00 25.30 C ATOM 238 C GLU A 17 69.679 11.324 15.861 1.00 24.54 C ATOM 239 O GLU A 17 70.228 10.225 15.955 1.00 25.14 O ATOM 240 CB GLU A 17 69.050 11.494 13.439 1.00 23.95 C ATOM 241 CG GLU A 17 67.562 11.318 13.708 1.00 20.42 C ATOM 242 CD GLU A 17 66.859 12.623 14.025 1.00 21.71 C ATOM 243 OE1 GLU A 17 67.053 13.602 13.273 1.00 21.61 O ATOM 244 OE2 GLU A 17 66.116 12.667 15.029 1.00 20.15 O ATOM 0 H GLU A 17 71.589 11.538 13.663 1.00 26.24 H new ATOM 0 HA GLU A 17 69.394 13.142 14.767 1.00 25.30 H new ATOM 0 HB2 GLU A 17 69.178 12.096 12.539 1.00 23.95 H new ATOM 0 HB3 GLU A 17 69.490 10.518 13.235 1.00 23.95 H new ATOM 0 HG2 GLU A 17 67.092 10.861 12.837 1.00 20.42 H new ATOM 0 HG3 GLU A 17 67.428 10.628 14.541 1.00 20.42 H new ATOM 251 N LEU A 18 68.948 11.855 16.836 1.00 23.56 N ATOM 252 CA LEU A 18 68.754 11.164 18.102 1.00 20.54 C ATOM 253 C LEU A 18 67.574 10.202 18.028 1.00 19.54 C ATOM 254 O LEU A 18 66.460 10.597 17.677 1.00 17.41 O ATOM 255 CB LEU A 18 68.536 12.174 19.234 1.00 21.20 C ATOM 256 CG LEU A 18 69.430 11.981 20.463 1.00 20.22 C ATOM 257 CD1 LEU A 18 69.071 12.987 21.545 1.00 19.20 C ATOM 258 CD2 LEU A 18 69.314 10.558 20.994 1.00 19.15 C ATOM 0 H LEU A 18 68.482 12.760 16.772 1.00 23.56 H new ATOM 0 HA LEU A 18 69.655 10.586 18.309 1.00 20.54 H new ATOM 0 HB2 LEU A 18 68.699 13.177 18.840 1.00 21.20 H new ATOM 0 HB3 LEU A 18 67.494 12.121 19.551 1.00 21.20 H new ATOM 0 HG LEU A 18 70.465 12.150 20.165 1.00 20.22 H new ATOM 0 HD11 LEU A 18 69.716 12.836 22.411 1.00 19.20 H new ATOM 0 HD12 LEU A 18 69.209 13.998 21.162 1.00 19.20 H new ATOM 0 HD13 LEU A 18 68.030 12.849 21.839 1.00 19.20 H new ATOM 0 HD21 LEU A 18 69.957 10.442 21.867 1.00 19.15 H new ATOM 0 HD22 LEU A 18 68.280 10.358 21.275 1.00 19.15 H new ATOM 0 HD23 LEU A 18 69.622 9.855 20.220 1.00 19.15 H new ATOM 270 N THR A 19 67.831 8.936 18.354 1.00 20.31 N ATOM 271 CA THR A 19 66.789 7.916 18.344 1.00 20.55 C ATOM 272 C THR A 19 65.986 8.005 19.635 1.00 19.06 C ATOM 273 O THR A 19 66.257 7.283 20.598 1.00 18.35 O ATOM 274 CB THR A 19 67.373 6.491 18.207 1.00 20.16 C ATOM 275 OG1 THR A 19 68.319 6.442 17.135 1.00 22.84 O ATOM 276 CG2 THR A 19 66.269 5.472 17.955 1.00 22.41 C ATOM 0 H THR A 19 68.752 8.594 18.628 1.00 20.31 H new ATOM 0 HA THR A 19 66.151 8.101 17.480 1.00 20.55 H new ATOM 0 HB THR A 19 67.873 6.243 19.143 1.00 20.16 H new ATOM 0 HG1 THR A 19 68.039 5.767 16.482 1.00 22.84 H new ATOM 0 HG21 THR A 19 66.706 4.478 17.862 1.00 22.41 H new ATOM 0 HG22 THR A 19 65.566 5.483 18.788 1.00 22.41 H new ATOM 0 HG23 THR A 19 65.744 5.725 17.034 1.00 22.41 H new ATOM 284 N ILE A 20 65.004 8.903 19.662 1.00 19.37 N ATOM 285 CA ILE A 20 64.182 9.101 20.850 1.00 16.93 C ATOM 286 C ILE A 20 63.015 8.119 20.899 1.00 15.57 C ATOM 287 O ILE A 20 62.311 7.919 19.908 1.00 15.48 O ATOM 288 CB ILE A 20 63.635 10.546 20.920 1.00 18.29 C ATOM 289 CG1 ILE A 20 62.796 10.876 19.677 1.00 16.61 C ATOM 290 CG2 ILE A 20 64.780 11.539 21.069 1.00 15.26 C ATOM 291 CD1 ILE A 20 62.152 12.244 19.723 1.00 24.60 C ATOM 0 H ILE A 20 64.759 9.504 18.875 1.00 19.37 H new ATOM 0 HA ILE A 20 64.828 8.920 21.709 1.00 16.93 H new ATOM 0 HB ILE A 20 62.989 10.624 21.794 1.00 18.29 H new ATOM 0 HG12 ILE A 20 63.431 10.813 18.794 1.00 16.61 H new ATOM 0 HG13 ILE A 20 62.018 10.121 19.564 1.00 16.61 H new ATOM 0 HG21 ILE A 20 64.380 12.552 21.117 1.00 15.26 H new ATOM 0 HG22 ILE A 20 65.332 11.323 21.984 1.00 15.26 H new ATOM 0 HG23 ILE A 20 65.449 11.454 20.213 1.00 15.26 H new ATOM 0 HD11 ILE A 20 61.576 12.406 18.812 1.00 24.60 H new ATOM 0 HD12 ILE A 20 61.490 12.306 20.587 1.00 24.60 H new ATOM 0 HD13 ILE A 20 62.925 13.008 19.804 1.00 24.60 H new ATOM 303 N ARG A 21 62.824 7.502 22.062 1.00 15.18 N ATOM 304 CA ARG A 21 61.739 6.547 22.265 1.00 17.91 C ATOM 305 C ARG A 21 60.809 7.035 23.368 1.00 18.31 C ATOM 306 O ARG A 21 61.269 7.551 24.388 1.00 16.91 O ATOM 307 CB ARG A 21 62.301 5.168 22.618 1.00 17.50 C ATOM 308 CG ARG A 21 63.149 4.559 21.512 1.00 16.96 C ATOM 309 CD ARG A 21 63.798 3.256 21.953 1.00 15.75 C ATOM 310 NE ARG A 21 64.745 3.457 23.051 1.00 17.98 N ATOM 311 CZ ARG A 21 66.023 3.811 22.884 1.00 18.72 C ATOM 312 NH1 ARG A 21 66.511 4.033 21.666 1.00 15.98 N ATOM 313 NH2 ARG A 21 66.814 3.952 23.942 1.00 18.32 N ATOM 0 H ARG A 21 63.411 7.648 22.883 1.00 15.18 H new ATOM 0 HA ARG A 21 61.171 6.463 21.338 1.00 17.91 H new ATOM 0 HB2 ARG A 21 62.903 5.250 23.523 1.00 17.50 H new ATOM 0 HB3 ARG A 21 61.475 4.494 22.845 1.00 17.50 H new ATOM 0 HG2 ARG A 21 62.528 4.377 20.635 1.00 16.96 H new ATOM 0 HG3 ARG A 21 63.922 5.268 21.214 1.00 16.96 H new ATOM 0 HD2 ARG A 21 63.025 2.554 22.265 1.00 15.75 H new ATOM 0 HD3 ARG A 21 64.315 2.804 21.107 1.00 15.75 H new ATOM 0 HE ARG A 21 64.408 3.318 24.004 1.00 17.98 H new ATOM 0 HH11 ARG A 21 65.908 3.933 20.849 1.00 15.98 H new ATOM 0 HH12 ARG A 21 67.488 4.303 21.549 1.00 15.98 H new ATOM 0 HH21 ARG A 21 66.446 3.790 24.879 1.00 18.32 H new ATOM 0 HH22 ARG A 21 67.790 4.222 23.817 1.00 18.32 H new ATOM 327 N VAL A 22 59.502 6.874 23.157 1.00 17.47 N ATOM 328 CA VAL A 22 58.495 7.313 24.125 1.00 15.85 C ATOM 329 C VAL A 22 58.877 6.936 25.555 1.00 16.32 C ATOM 330 O VAL A 22 59.064 5.758 25.870 1.00 16.12 O ATOM 331 CB VAL A 22 57.101 6.721 23.808 1.00 14.89 C ATOM 332 CG1 VAL A 22 56.054 7.257 24.774 1.00 8.42 C ATOM 333 CG2 VAL A 22 56.704 7.016 22.369 1.00 16.01 C ATOM 0 H VAL A 22 59.114 6.440 22.319 1.00 17.47 H new ATOM 0 HA VAL A 22 58.452 8.399 24.043 1.00 15.85 H new ATOM 0 HB VAL A 22 57.157 5.639 23.932 1.00 14.89 H new ATOM 0 HG11 VAL A 22 55.082 6.827 24.532 1.00 8.42 H new ATOM 0 HG12 VAL A 22 56.327 6.986 25.794 1.00 8.42 H new ATOM 0 HG13 VAL A 22 56.002 8.342 24.689 1.00 8.42 H new ATOM 0 HG21 VAL A 22 55.721 6.591 22.168 1.00 16.01 H new ATOM 0 HG22 VAL A 22 56.671 8.094 22.214 1.00 16.01 H new ATOM 0 HG23 VAL A 22 57.435 6.575 21.692 1.00 16.01 H new ATOM 343 N GLY A 23 58.995 7.950 26.412 1.00 15.88 N ATOM 344 CA GLY A 23 59.345 7.722 27.800 1.00 17.17 C ATOM 345 C GLY A 23 60.745 8.192 28.160 1.00 18.82 C ATOM 346 O GLY A 23 61.043 8.393 29.339 1.00 17.98 O ATOM 0 H GLY A 23 58.853 8.929 26.165 1.00 15.88 H new ATOM 0 HA2 GLY A 23 58.624 8.235 28.437 1.00 17.17 H new ATOM 0 HA3 GLY A 23 59.261 6.657 28.017 1.00 17.17 H new ATOM 350 N GLU A 24 61.610 8.368 27.156 1.00 16.59 N ATOM 351 CA GLU A 24 62.985 8.803 27.399 1.00 15.26 C ATOM 352 C GLU A 24 63.065 10.293 27.715 1.00 15.26 C ATOM 353 O GLU A 24 62.248 11.087 27.248 1.00 13.41 O ATOM 354 CB GLU A 24 63.871 8.498 26.186 1.00 15.08 C ATOM 355 CG GLU A 24 64.175 7.020 25.998 1.00 12.07 C ATOM 356 CD GLU A 24 65.289 6.782 24.994 1.00 14.29 C ATOM 357 OE1 GLU A 24 64.991 6.683 23.785 1.00 14.81 O ATOM 358 OE2 GLU A 24 66.462 6.698 25.417 1.00 15.06 O ATOM 0 H GLU A 24 61.382 8.216 26.173 1.00 16.59 H new ATOM 0 HA GLU A 24 63.343 8.248 28.266 1.00 15.26 H new ATOM 0 HB2 GLU A 24 63.382 8.875 25.288 1.00 15.08 H new ATOM 0 HB3 GLU A 24 64.810 9.041 26.289 1.00 15.08 H new ATOM 0 HG2 GLU A 24 64.455 6.584 26.957 1.00 12.07 H new ATOM 0 HG3 GLU A 24 63.273 6.506 25.665 1.00 12.07 H new ATOM 365 N ILE A 25 64.067 10.656 28.510 1.00 15.57 N ATOM 366 CA ILE A 25 64.296 12.045 28.887 1.00 16.69 C ATOM 367 C ILE A 25 65.585 12.545 28.246 1.00 17.86 C ATOM 368 O ILE A 25 66.652 11.953 28.433 1.00 19.05 O ATOM 369 CB ILE A 25 64.381 12.218 30.419 1.00 17.79 C ATOM 370 CG1 ILE A 25 63.112 11.680 31.088 1.00 17.49 C ATOM 371 CG2 ILE A 25 64.593 13.685 30.777 1.00 15.26 C ATOM 372 CD1 ILE A 25 63.163 11.702 32.601 1.00 24.60 C ATOM 0 H ILE A 25 64.739 10.000 28.908 1.00 15.57 H new ATOM 0 HA ILE A 25 63.448 12.630 28.530 1.00 16.69 H new ATOM 0 HB ILE A 25 65.233 11.647 30.786 1.00 17.79 H new ATOM 0 HG12 ILE A 25 62.258 12.270 30.754 1.00 17.49 H new ATOM 0 HG13 ILE A 25 62.943 10.656 30.754 1.00 17.49 H new ATOM 0 HG21 ILE A 25 64.651 13.790 31.860 1.00 15.26 H new ATOM 0 HG22 ILE A 25 65.521 14.039 30.328 1.00 15.26 H new ATOM 0 HG23 ILE A 25 63.759 14.276 30.399 1.00 15.26 H new ATOM 0 HD11 ILE A 25 62.230 11.306 33.002 1.00 24.60 H new ATOM 0 HD12 ILE A 25 63.995 11.089 32.946 1.00 24.60 H new ATOM 0 HD13 ILE A 25 63.300 12.727 32.946 1.00 24.60 H new ATOM 384 N ILE A 26 65.484 13.639 27.498 1.00 17.28 N ATOM 385 CA ILE A 26 66.641 14.205 26.817 0.50 16.69 C ATOM 386 C ILE A 26 67.237 15.342 27.638 1.00 17.06 C ATOM 387 O ILE A 26 66.549 16.311 27.967 1.00 18.52 O ATOM 388 CB ILE A 26 66.284 14.711 25.406 0.50 17.01 C ATOM 389 CG1 ILE A 26 65.493 13.641 24.645 0.50 16.38 C ATOM 390 CG2 ILE A 26 67.551 15.083 24.649 0.50 14.54 C ATOM 391 CD1 ILE A 26 65.007 14.097 23.287 1.00 24.60 C ATOM 0 H ILE A 26 64.614 14.150 27.349 1.00 17.28 H new ATOM 0 HA ILE A 26 67.378 13.409 26.712 0.50 16.69 H new ATOM 0 HB ILE A 26 65.660 15.601 25.495 0.50 17.01 H new ATOM 0 HG12 ILE A 26 66.120 12.758 24.519 0.50 16.38 H new ATOM 0 HG13 ILE A 26 64.635 13.339 25.246 0.50 16.38 H new ATOM 0 HG21 ILE A 26 67.288 15.439 23.653 0.50 14.54 H new ATOM 0 HG22 ILE A 26 68.079 15.869 25.188 0.50 14.54 H new ATOM 0 HG23 ILE A 26 68.194 14.207 24.563 0.50 14.54 H new ATOM 0 HD11 ILE A 26 64.456 13.288 22.807 1.00 24.60 H new ATOM 0 HD12 ILE A 26 64.353 14.961 23.406 1.00 24.60 H new ATOM 0 HD13 ILE A 26 65.861 14.371 22.668 1.00 24.60 H new ATOM 403 N ARG A 27 68.520 15.215 27.966 1.00 18.57 N ATOM 404 CA ARG A 27 69.209 16.213 28.776 1.00 19.72 C ATOM 405 C ARG A 27 69.543 17.466 27.978 1.00 20.30 C ATOM 406 O ARG A 27 70.036 17.385 26.852 1.00 20.29 O ATOM 407 CB ARG A 27 70.491 15.622 29.375 1.00 20.00 C ATOM 408 CG ARG A 27 70.286 14.282 30.069 1.00 20.63 C ATOM 409 CD ARG A 27 69.208 14.360 31.141 1.00 21.55 C ATOM 410 NE ARG A 27 68.845 13.038 31.652 1.00 19.42 N ATOM 411 CZ ARG A 27 67.803 12.808 32.455 1.00 19.92 C ATOM 412 NH1 ARG A 27 67.020 13.808 32.851 1.00 18.94 N ATOM 413 NH2 ARG A 27 67.542 11.571 32.863 1.00 20.17 N ATOM 0 H ARG A 27 69.104 14.428 27.682 1.00 18.57 H new ATOM 0 HA ARG A 27 68.530 16.501 29.579 1.00 19.72 H new ATOM 0 HB2 ARG A 27 71.229 15.500 28.582 1.00 20.00 H new ATOM 0 HB3 ARG A 27 70.907 16.331 30.091 1.00 20.00 H new ATOM 0 HG2 ARG A 27 70.011 13.529 29.331 1.00 20.63 H new ATOM 0 HG3 ARG A 27 71.224 13.959 30.520 1.00 20.63 H new ATOM 0 HD2 ARG A 27 69.560 14.982 31.964 1.00 21.55 H new ATOM 0 HD3 ARG A 27 68.323 14.845 30.730 1.00 21.55 H new ATOM 0 HE ARG A 27 69.423 12.243 31.378 1.00 19.42 H new ATOM 0 HH11 ARG A 27 67.213 14.760 32.541 1.00 18.94 H new ATOM 0 HH12 ARG A 27 66.226 13.622 33.464 1.00 18.94 H new ATOM 0 HH21 ARG A 27 68.137 10.799 32.563 1.00 20.17 H new ATOM 0 HH22 ARG A 27 66.747 11.393 33.476 1.00 20.17 H new ATOM 427 N ASN A 28 69.250 18.625 28.576 1.00 21.66 N ATOM 428 CA ASN A 28 69.525 19.934 27.974 1.00 22.30 C ATOM 429 C ASN A 28 69.086 20.011 26.511 1.00 24.05 C ATOM 430 O ASN A 28 69.912 20.037 25.596 1.00 22.02 O ATOM 431 CB ASN A 28 71.011 20.310 28.124 1.00 22.17 C ATOM 432 CG ASN A 28 71.963 19.240 27.610 1.00 19.53 C ATOM 433 OD1 ASN A 28 72.317 19.223 26.431 1.00 22.18 O ATOM 434 ND2 ASN A 28 72.390 18.346 28.497 1.00 17.78 N ATOM 0 H ASN A 28 68.813 18.682 29.496 1.00 21.66 H new ATOM 0 HA ASN A 28 68.927 20.663 28.521 1.00 22.30 H new ATOM 0 HB2 ASN A 28 71.198 21.240 27.587 1.00 22.17 H new ATOM 0 HB3 ASN A 28 71.225 20.501 29.176 1.00 22.17 H new ATOM 0 HD21 ASN A 28 73.036 17.610 28.209 1.00 17.78 H new ATOM 0 HD22 ASN A 28 72.072 18.396 29.465 1.00 17.78 H new ATOM 441 N VAL A 29 67.773 20.045 26.302 1.00 24.67 N ATOM 442 CA VAL A 29 67.213 20.137 24.960 1.00 24.71 C ATOM 443 C VAL A 29 67.067 21.596 24.531 1.00 26.15 C ATOM 444 O VAL A 29 66.233 22.333 25.064 1.00 24.81 O ATOM 445 CB VAL A 29 65.844 19.435 24.871 1.00 24.09 C ATOM 446 CG1 VAL A 29 65.211 19.643 23.501 1.00 22.48 C ATOM 447 CG2 VAL A 29 65.989 17.953 25.178 1.00 22.75 C ATOM 0 H VAL A 29 67.077 20.010 27.047 1.00 24.67 H new ATOM 0 HA VAL A 29 67.906 19.633 24.287 1.00 24.71 H new ATOM 0 HB VAL A 29 65.183 19.880 25.615 1.00 24.09 H new ATOM 0 HG11 VAL A 29 64.246 19.137 23.465 1.00 22.48 H new ATOM 0 HG12 VAL A 29 65.069 20.709 23.324 1.00 22.48 H new ATOM 0 HG13 VAL A 29 65.865 19.232 22.732 1.00 22.48 H new ATOM 0 HG21 VAL A 29 65.014 17.471 25.111 1.00 22.75 H new ATOM 0 HG22 VAL A 29 66.669 17.497 24.459 1.00 22.75 H new ATOM 0 HG23 VAL A 29 66.388 17.827 26.185 1.00 22.75 H new ATOM 457 N LYS A 30 67.890 22.000 23.567 1.00 28.66 N ATOM 458 CA LYS A 30 67.875 23.365 23.052 1.00 30.94 C ATOM 459 C LYS A 30 67.255 23.403 21.657 1.00 30.52 C ATOM 460 O LYS A 30 67.170 22.379 20.979 1.00 28.63 O ATOM 461 CB LYS A 30 69.306 23.919 23.011 1.00 32.04 C ATOM 462 CG LYS A 30 69.396 25.379 22.589 1.00 36.67 C ATOM 463 CD LYS A 30 70.841 25.847 22.486 1.00 40.00 C ATOM 464 CE LYS A 30 71.605 25.097 21.403 1.00 40.13 C ATOM 465 NZ LYS A 30 71.020 25.308 20.048 1.00 42.51 N ATOM 0 H LYS A 30 68.581 21.395 23.124 1.00 28.66 H new ATOM 0 HA LYS A 30 67.270 23.985 23.714 1.00 30.94 H new ATOM 0 HB2 LYS A 30 69.755 23.809 23.998 1.00 32.04 H new ATOM 0 HB3 LYS A 30 69.898 23.316 22.323 1.00 32.04 H new ATOM 0 HG2 LYS A 30 68.901 25.511 21.627 1.00 36.67 H new ATOM 0 HG3 LYS A 30 68.863 26.000 23.309 1.00 36.67 H new ATOM 0 HD2 LYS A 30 70.862 26.915 22.271 1.00 40.00 H new ATOM 0 HD3 LYS A 30 71.338 25.705 23.446 1.00 40.00 H new ATOM 0 HE2 LYS A 30 72.645 25.424 21.402 1.00 40.13 H new ATOM 0 HE3 LYS A 30 71.606 24.032 21.634 1.00 40.13 H new ATOM 0 HZ1 LYS A 30 71.679 24.953 19.326 1.00 42.51 H new ATOM 0 HZ2 LYS A 30 70.118 24.795 19.976 1.00 42.51 H new ATOM 0 HZ3 LYS A 30 70.854 26.323 19.896 1.00 42.51 H new ATOM 479 N LYS A 31 66.822 24.587 21.236 1.00 31.66 N ATOM 480 CA LYS A 31 66.221 24.753 19.917 1.00 32.46 C ATOM 481 C LYS A 31 67.302 25.059 18.885 1.00 33.31 C ATOM 482 O LYS A 31 68.157 25.919 19.107 1.00 32.74 O ATOM 483 CB LYS A 31 65.169 25.866 19.935 1.00 31.76 C ATOM 484 CG LYS A 31 63.987 25.568 20.843 0.01 32.47 C ATOM 485 CD LYS A 31 62.912 26.637 20.730 0.01 32.64 C ATOM 486 CE LYS A 31 61.745 26.355 21.666 0.01 32.79 C ATOM 487 NZ LYS A 31 60.659 27.364 21.523 0.01 32.84 N ATOM 0 H LYS A 31 66.876 25.444 21.787 1.00 31.66 H new ATOM 0 HA LYS A 31 65.725 23.822 19.643 1.00 32.46 H new ATOM 0 HB2 LYS A 31 65.640 26.795 20.257 1.00 31.76 H new ATOM 0 HB3 LYS A 31 64.806 26.028 18.920 1.00 31.76 H new ATOM 0 HG2 LYS A 31 63.564 24.597 20.584 0.01 32.47 H new ATOM 0 HG3 LYS A 31 64.328 25.502 21.876 0.01 32.47 H new ATOM 0 HD2 LYS A 31 63.340 27.612 20.964 0.01 32.64 H new ATOM 0 HD3 LYS A 31 62.552 26.686 19.702 0.01 32.64 H new ATOM 0 HE2 LYS A 31 61.346 25.362 21.460 0.01 32.79 H new ATOM 0 HE3 LYS A 31 62.100 26.348 22.696 0.01 32.79 H new ATOM 0 HZ1 LYS A 31 59.884 27.135 22.178 0.01 32.84 H new ATOM 0 HZ2 LYS A 31 61.032 28.309 21.745 0.01 32.84 H new ATOM 0 HZ3 LYS A 31 60.302 27.353 20.546 0.01 32.84 H new ATOM 501 N LEU A 32 67.256 24.354 17.759 1.00 34.55 N ATOM 502 CA LEU A 32 68.242 24.536 16.699 1.00 36.08 C ATOM 503 C LEU A 32 67.767 25.563 15.675 1.00 37.71 C ATOM 504 O LEU A 32 66.676 26.123 15.801 1.00 36.52 O ATOM 505 CB LEU A 32 68.524 23.196 16.009 1.00 35.96 C ATOM 506 CG LEU A 32 69.217 22.150 16.886 1.00 33.75 C ATOM 507 CD1 LEU A 32 69.263 20.805 16.175 1.00 31.94 C ATOM 508 CD2 LEU A 32 70.622 22.608 17.252 1.00 31.78 C ATOM 0 H LEU A 32 66.546 23.651 17.557 1.00 34.55 H new ATOM 0 HA LEU A 32 69.161 24.909 17.151 1.00 36.08 H new ATOM 0 HB2 LEU A 32 67.581 22.782 15.653 1.00 35.96 H new ATOM 0 HB3 LEU A 32 69.143 23.380 15.131 1.00 35.96 H new ATOM 0 HG LEU A 32 68.642 22.035 17.805 1.00 33.75 H new ATOM 0 HD11 LEU A 32 69.759 20.073 16.813 1.00 31.94 H new ATOM 0 HD12 LEU A 32 68.248 20.471 15.962 1.00 31.94 H new ATOM 0 HD13 LEU A 32 69.816 20.906 15.241 1.00 31.94 H new ATOM 0 HD21 LEU A 32 71.100 21.853 17.876 1.00 31.78 H new ATOM 0 HD22 LEU A 32 71.206 22.751 16.343 1.00 31.78 H new ATOM 0 HD23 LEU A 32 70.567 23.549 17.800 1.00 31.78 H new ATOM 520 N GLN A 33 68.596 25.806 14.659 1.00 38.97 N ATOM 521 CA GLN A 33 68.259 26.758 13.606 1.00 39.78 C ATOM 522 C GLN A 33 67.336 26.122 12.559 1.00 39.42 C ATOM 523 O GLN A 33 66.936 26.781 11.598 1.00 39.85 O ATOM 524 CB GLN A 33 69.530 27.291 12.934 0.60 40.32 C ATOM 525 CG GLN A 33 70.330 28.256 13.801 0.60 40.38 C ATOM 526 CD GLN A 33 70.941 27.589 15.021 0.60 39.93 C ATOM 527 OE1 GLN A 33 70.342 27.566 16.096 0.60 39.55 O ATOM 528 NE2 GLN A 33 72.142 27.041 14.860 0.60 38.18 N ATOM 0 H GLN A 33 69.504 25.356 14.545 1.00 38.97 H new ATOM 0 HA GLN A 33 67.729 27.591 14.068 1.00 39.78 H new ATOM 0 HB2 GLN A 33 70.166 26.449 12.663 0.60 40.32 H new ATOM 0 HB3 GLN A 33 69.255 27.794 12.007 0.60 40.32 H new ATOM 0 HG2 GLN A 33 71.124 28.702 13.202 0.60 40.38 H new ATOM 0 HG3 GLN A 33 69.680 29.069 14.125 0.60 40.38 H new ATOM 0 HE21 GLN A 33 72.604 27.082 13.951 0.60 38.18 H new ATOM 0 HE22 GLN A 33 72.601 26.579 15.645 0.60 38.18 H new ATOM 537 N GLU A 34 67.001 24.842 12.753 1.00 38.54 N ATOM 538 CA GLU A 34 66.121 24.131 11.840 1.00 36.53 C ATOM 539 C GLU A 34 64.749 23.959 12.479 1.00 35.34 C ATOM 540 O GLU A 34 64.624 23.357 13.548 1.00 34.99 O ATOM 541 CB GLU A 34 66.713 22.767 11.474 1.00 37.22 C ATOM 542 CG GLU A 34 68.104 22.845 10.862 0.50 36.82 C ATOM 543 CD GLU A 34 68.138 23.666 9.585 0.50 36.76 C ATOM 544 OE1 GLU A 34 67.867 23.097 8.507 0.50 36.04 O ATOM 545 OE2 GLU A 34 68.436 24.876 9.665 0.50 37.76 O ATOM 0 H GLU A 34 67.331 24.282 13.539 1.00 38.54 H new ATOM 0 HA GLU A 34 66.018 24.714 10.925 1.00 36.53 H new ATOM 0 HB2 GLU A 34 66.755 22.147 12.370 1.00 37.22 H new ATOM 0 HB3 GLU A 34 66.045 22.268 10.772 1.00 37.22 H new ATOM 0 HG2 GLU A 34 68.791 23.280 11.587 0.50 36.82 H new ATOM 0 HG3 GLU A 34 68.460 21.837 10.650 0.50 36.82 H new ATOM 552 N GLU A 35 63.724 24.498 11.823 1.00 33.27 N ATOM 553 CA GLU A 35 62.359 24.416 12.333 0.50 31.92 C ATOM 554 C GLU A 35 61.927 22.961 12.481 1.00 30.55 C ATOM 555 O GLU A 35 61.868 22.218 11.499 1.00 32.49 O ATOM 556 CB GLU A 35 61.391 25.161 11.410 0.50 32.23 C ATOM 557 CG GLU A 35 61.654 26.657 11.325 0.50 32.26 C ATOM 558 CD GLU A 35 60.689 27.367 10.395 0.50 31.89 C ATOM 559 OE1 GLU A 35 59.617 27.798 10.867 0.50 31.03 O ATOM 560 OE2 GLU A 35 61.007 27.493 9.194 0.50 31.33 O ATOM 0 H GLU A 35 63.814 24.996 10.937 1.00 33.27 H new ATOM 0 HA GLU A 35 62.336 24.888 13.315 0.50 31.92 H new ATOM 0 HB2 GLU A 35 61.455 24.733 10.410 0.50 32.23 H new ATOM 0 HB3 GLU A 35 60.372 25.000 11.761 0.50 32.23 H new ATOM 0 HG2 GLU A 35 61.579 27.092 12.321 0.50 32.26 H new ATOM 0 HG3 GLU A 35 62.674 26.824 10.980 0.50 32.26 H new ATOM 567 N GLY A 36 61.633 22.563 13.717 1.00 28.28 N ATOM 568 CA GLY A 36 61.216 21.199 13.982 1.00 24.78 C ATOM 569 C GLY A 36 62.357 20.309 14.435 1.00 23.68 C ATOM 570 O GLY A 36 62.215 19.085 14.464 1.00 23.56 O ATOM 0 H GLY A 36 61.677 23.164 14.540 1.00 28.28 H new ATOM 0 HA2 GLY A 36 60.440 21.204 14.748 1.00 24.78 H new ATOM 0 HA3 GLY A 36 60.771 20.779 13.080 1.00 24.78 H new ATOM 574 N TRP A 37 63.492 20.917 14.787 1.00 23.14 N ATOM 575 CA TRP A 37 64.651 20.164 15.239 1.00 20.93 C ATOM 576 C TRP A 37 65.218 20.748 16.526 1.00 21.08 C ATOM 577 O TRP A 37 65.455 21.954 16.629 1.00 21.30 O ATOM 578 CB TRP A 37 65.727 20.133 14.150 1.00 20.40 C ATOM 579 CG TRP A 37 65.338 19.304 12.964 1.00 20.90 C ATOM 580 CD1 TRP A 37 65.134 19.738 11.686 1.00 20.96 C ATOM 581 CD2 TRP A 37 65.097 17.892 12.952 1.00 19.62 C ATOM 582 NE1 TRP A 37 64.784 18.683 10.880 1.00 18.59 N ATOM 583 CE2 TRP A 37 64.754 17.539 11.633 1.00 19.33 C ATOM 584 CE3 TRP A 37 65.140 16.895 13.926 1.00 18.84 C ATOM 585 CZ2 TRP A 37 64.456 16.228 11.267 1.00 17.78 C ATOM 586 CZ3 TRP A 37 64.843 15.595 13.563 1.00 19.33 C ATOM 587 CH2 TRP A 37 64.505 15.273 12.243 1.00 21.05 C ATOM 0 H TRP A 37 63.628 21.928 14.766 1.00 23.14 H new ATOM 0 HA TRP A 37 64.329 19.143 15.444 1.00 20.93 H new ATOM 0 HB2 TRP A 37 65.933 21.152 13.822 1.00 20.40 H new ATOM 0 HB3 TRP A 37 66.652 19.741 14.572 1.00 20.40 H new ATOM 0 HD1 TRP A 37 65.233 20.762 11.357 1.00 20.96 H new ATOM 0 HE1 TRP A 37 64.580 18.742 9.882 1.00 18.59 H new ATOM 0 HE3 TRP A 37 65.401 17.135 14.946 1.00 18.84 H new ATOM 0 HZ2 TRP A 37 64.196 15.976 10.250 1.00 17.78 H new ATOM 0 HZ3 TRP A 37 64.872 14.815 14.309 1.00 19.33 H new ATOM 0 HH2 TRP A 37 64.278 14.248 11.991 1.00 21.05 H new ATOM 598 N LEU A 38 65.431 19.872 17.501 1.00 21.83 N ATOM 599 CA LEU A 38 65.978 20.261 18.796 1.00 21.88 C ATOM 600 C LEU A 38 67.289 19.524 19.037 1.00 22.72 C ATOM 601 O LEU A 38 67.580 18.545 18.358 1.00 23.91 O ATOM 602 CB LEU A 38 64.982 19.955 19.920 1.00 21.21 C ATOM 603 CG LEU A 38 63.702 20.797 19.913 1.00 20.69 C ATOM 604 CD1 LEU A 38 62.755 20.334 18.816 1.00 18.49 C ATOM 605 CD2 LEU A 38 63.016 20.736 21.270 1.00 18.88 C ATOM 0 H LEU A 38 65.230 18.875 17.417 1.00 21.83 H new ATOM 0 HA LEU A 38 66.164 21.335 18.792 1.00 21.88 H new ATOM 0 HB2 LEU A 38 64.704 18.903 19.860 1.00 21.21 H new ATOM 0 HB3 LEU A 38 65.485 20.098 20.876 1.00 21.21 H new ATOM 0 HG LEU A 38 63.977 21.832 19.710 1.00 20.69 H new ATOM 0 HD11 LEU A 38 61.854 20.947 18.831 1.00 18.49 H new ATOM 0 HD12 LEU A 38 63.245 20.432 17.847 1.00 18.49 H new ATOM 0 HD13 LEU A 38 62.487 19.291 18.983 1.00 18.49 H new ATOM 0 HD21 LEU A 38 62.109 21.340 21.247 1.00 18.88 H new ATOM 0 HD22 LEU A 38 62.758 19.702 21.501 1.00 18.88 H new ATOM 0 HD23 LEU A 38 63.689 21.122 22.036 1.00 18.88 H new ATOM 617 N GLU A 39 68.072 19.988 20.002 1.00 21.79 N ATOM 618 CA GLU A 39 69.358 19.363 20.311 1.00 23.86 C ATOM 619 C GLU A 39 69.452 19.004 21.792 1.00 21.01 C ATOM 620 O GLU A 39 69.326 19.870 22.656 1.00 19.88 O ATOM 621 CB GLU A 39 70.509 20.293 19.913 1.00 25.80 C ATOM 622 CG GLU A 39 71.892 19.725 20.205 1.00 33.40 C ATOM 623 CD GLU A 39 72.085 18.325 19.649 1.00 39.01 C ATOM 624 OE1 GLU A 39 72.159 18.179 18.411 1.00 43.40 O ATOM 625 OE2 GLU A 39 72.163 17.374 20.455 1.00 41.93 O ATOM 0 H GLU A 39 67.843 20.793 20.585 1.00 21.79 H new ATOM 0 HA GLU A 39 69.435 18.441 19.735 1.00 23.86 H new ATOM 0 HB2 GLU A 39 70.434 20.512 18.848 1.00 25.80 H new ATOM 0 HB3 GLU A 39 70.397 21.240 20.441 1.00 25.80 H new ATOM 0 HG2 GLU A 39 72.648 20.386 19.781 1.00 33.40 H new ATOM 0 HG3 GLU A 39 72.052 19.708 21.283 1.00 33.40 H new ATOM 632 N GLY A 40 69.686 17.723 22.072 1.00 18.22 N ATOM 633 CA GLY A 40 69.787 17.268 23.448 1.00 20.08 C ATOM 634 C GLY A 40 70.613 16.006 23.595 1.00 18.70 C ATOM 635 O GLY A 40 70.850 15.290 22.619 1.00 18.64 O ATOM 0 H GLY A 40 69.807 16.993 21.370 1.00 18.22 H new ATOM 0 HA2 GLY A 40 70.230 18.058 24.055 1.00 20.08 H new ATOM 0 HA3 GLY A 40 68.786 17.088 23.840 1.00 20.08 H new ATOM 639 N GLU A 41 71.050 15.735 24.823 1.00 18.96 N ATOM 640 CA GLU A 41 71.856 14.555 25.110 1.00 20.96 C ATOM 641 C GLU A 41 70.987 13.410 25.625 1.00 20.09 C ATOM 642 O GLU A 41 70.539 13.417 26.774 1.00 19.27 O ATOM 643 CB GLU A 41 72.952 14.891 26.126 1.00 22.24 C ATOM 644 CG GLU A 41 73.972 13.779 26.313 1.00 26.27 C ATOM 645 CD GLU A 41 75.128 14.190 27.202 1.00 30.19 C ATOM 646 OE1 GLU A 41 75.012 14.037 28.437 1.00 32.10 O ATOM 647 OE2 GLU A 41 76.150 14.667 26.666 1.00 29.05 O ATOM 0 H GLU A 41 70.858 16.320 25.636 1.00 18.96 H new ATOM 0 HA GLU A 41 72.326 14.232 24.181 1.00 20.96 H new ATOM 0 HB2 GLU A 41 73.468 15.796 25.805 1.00 22.24 H new ATOM 0 HB3 GLU A 41 72.489 15.113 27.087 1.00 22.24 H new ATOM 0 HG2 GLU A 41 73.479 12.908 26.745 1.00 26.27 H new ATOM 0 HG3 GLU A 41 74.357 13.477 25.339 1.00 26.27 H new ATOM 654 N LEU A 42 70.754 12.430 24.756 1.00 19.56 N ATOM 655 CA LEU A 42 69.947 11.263 25.097 1.00 21.20 C ATOM 656 C LEU A 42 70.733 9.991 24.822 1.00 22.89 C ATOM 657 O LEU A 42 71.408 9.877 23.796 1.00 22.08 O ATOM 658 CB LEU A 42 68.636 11.253 24.306 1.00 18.58 C ATOM 659 CG LEU A 42 67.714 10.060 24.591 1.00 15.91 C ATOM 660 CD1 LEU A 42 67.226 10.091 26.031 1.00 15.01 C ATOM 661 CD2 LEU A 42 66.538 10.053 23.627 1.00 17.47 C ATOM 0 H LEU A 42 71.116 12.422 23.803 1.00 19.56 H new ATOM 0 HA LEU A 42 69.703 11.313 26.158 1.00 21.20 H new ATOM 0 HB2 LEU A 42 68.092 12.173 24.522 1.00 18.58 H new ATOM 0 HB3 LEU A 42 68.871 11.264 23.242 1.00 18.58 H new ATOM 0 HG LEU A 42 68.284 9.143 24.444 1.00 15.91 H new ATOM 0 HD11 LEU A 42 66.574 9.237 26.213 1.00 15.01 H new ATOM 0 HD12 LEU A 42 68.081 10.045 26.706 1.00 15.01 H new ATOM 0 HD13 LEU A 42 66.673 11.014 26.208 1.00 15.01 H new ATOM 0 HD21 LEU A 42 65.895 9.200 23.844 1.00 17.47 H new ATOM 0 HD22 LEU A 42 65.968 10.975 23.741 1.00 17.47 H new ATOM 0 HD23 LEU A 42 66.907 9.979 22.604 1.00 17.47 H new ATOM 673 N ASN A 43 70.641 9.038 25.745 1.00 25.48 N ATOM 674 CA ASN A 43 71.354 7.771 25.619 1.00 26.38 C ATOM 675 C ASN A 43 72.874 7.993 25.637 1.00 29.40 C ATOM 676 O ASN A 43 73.637 7.149 25.164 1.00 30.74 O ATOM 677 CB ASN A 43 70.932 7.051 24.329 1.00 24.64 C ATOM 678 CG ASN A 43 71.215 5.559 24.371 0.50 23.85 C ATOM 679 OD1 ASN A 43 72.272 5.104 23.935 0.50 20.08 O ATOM 680 ND2 ASN A 43 70.268 4.789 24.897 0.50 21.91 N ATOM 0 H ASN A 43 70.078 9.120 26.591 1.00 25.48 H new ATOM 0 HA ASN A 43 71.094 7.145 26.472 1.00 26.38 H new ATOM 0 HB2 ASN A 43 69.867 7.210 24.161 1.00 24.64 H new ATOM 0 HB3 ASN A 43 71.458 7.493 23.483 1.00 24.64 H new ATOM 0 HD21 ASN A 43 70.403 3.779 24.951 0.50 21.91 H new ATOM 0 HD22 ASN A 43 69.406 5.208 25.247 0.50 21.91 H new ATOM 687 N GLY A 44 73.309 9.131 26.197 1.00 31.47 N ATOM 688 CA GLY A 44 74.728 9.432 26.269 1.00 32.96 C ATOM 689 C GLY A 44 75.280 10.017 24.987 1.00 33.01 C ATOM 690 O GLY A 44 76.498 10.099 24.813 1.00 32.58 O ATOM 0 H GLY A 44 72.700 9.844 26.599 1.00 31.47 H new ATOM 0 HA2 GLY A 44 74.903 10.133 27.085 1.00 32.96 H new ATOM 0 HA3 GLY A 44 75.274 8.520 26.509 1.00 32.96 H new ATOM 694 N ARG A 45 74.388 10.422 24.088 1.00 32.71 N ATOM 695 CA ARG A 45 74.791 11.004 22.821 1.00 32.86 C ATOM 696 C ARG A 45 73.990 12.266 22.542 1.00 31.58 C ATOM 697 O ARG A 45 72.794 12.332 22.834 1.00 31.44 O ATOM 698 CB ARG A 45 74.599 9.988 21.688 1.00 33.41 C ATOM 699 CG ARG A 45 74.980 10.514 20.310 1.00 36.02 C ATOM 700 CD ARG A 45 76.453 10.886 20.236 1.00 39.71 C ATOM 701 NE ARG A 45 76.805 11.469 18.941 1.00 41.97 N ATOM 702 CZ ARG A 45 77.563 12.561 18.784 1.00 44.26 C ATOM 703 NH1 ARG A 45 78.062 13.206 19.838 1.00 45.68 N ATOM 704 NH2 ARG A 45 77.824 13.010 17.560 1.00 44.83 N ATOM 0 H ARG A 45 73.379 10.356 24.218 1.00 32.71 H new ATOM 0 HA ARG A 45 75.847 11.269 22.877 1.00 32.86 H new ATOM 0 HB2 ARG A 45 75.195 9.102 21.904 1.00 33.41 H new ATOM 0 HB3 ARG A 45 73.556 9.674 21.669 1.00 33.41 H new ATOM 0 HG2 ARG A 45 74.758 9.757 19.558 1.00 36.02 H new ATOM 0 HG3 ARG A 45 74.372 11.387 20.073 1.00 36.02 H new ATOM 0 HD2 ARG A 45 76.688 11.595 21.029 1.00 39.71 H new ATOM 0 HD3 ARG A 45 77.061 9.998 20.412 1.00 39.71 H new ATOM 0 HE ARG A 45 76.449 11.013 18.101 1.00 41.97 H new ATOM 0 HH11 ARG A 45 77.868 12.869 20.781 1.00 45.68 H new ATOM 0 HH12 ARG A 45 78.638 14.037 19.702 1.00 45.68 H new ATOM 0 HH21 ARG A 45 77.447 12.523 16.747 1.00 44.83 H new ATOM 0 HH22 ARG A 45 78.401 13.842 17.434 1.00 44.83 H new ATOM 718 N ARG A 46 74.653 13.262 21.967 1.00 29.31 N ATOM 719 CA ARG A 46 74.002 14.519 21.643 1.00 28.15 C ATOM 720 C ARG A 46 73.517 14.466 20.202 1.00 25.89 C ATOM 721 O ARG A 46 74.323 14.392 19.271 1.00 24.31 O ATOM 722 CB ARG A 46 74.958 15.697 21.848 1.00 29.02 C ATOM 723 CG ARG A 46 75.445 15.841 23.281 1.00 33.26 C ATOM 724 CD ARG A 46 76.334 17.062 23.449 1.00 34.98 C ATOM 725 NE ARG A 46 76.791 17.223 24.829 1.00 37.59 N ATOM 726 CZ ARG A 46 76.074 17.807 25.793 1.00 37.81 C ATOM 727 NH1 ARG A 46 74.850 18.267 25.542 1.00 35.42 N ATOM 728 NH2 ARG A 46 76.578 17.927 27.016 1.00 38.71 N ATOM 0 H ARG A 46 75.641 13.221 21.717 1.00 29.31 H new ATOM 0 HA ARG A 46 73.152 14.667 22.309 1.00 28.15 H new ATOM 0 HB2 ARG A 46 75.819 15.575 21.191 1.00 29.02 H new ATOM 0 HB3 ARG A 46 74.457 16.618 21.549 1.00 29.02 H new ATOM 0 HG2 ARG A 46 74.589 15.919 23.951 1.00 33.26 H new ATOM 0 HG3 ARG A 46 75.996 14.946 23.570 1.00 33.26 H new ATOM 0 HD2 ARG A 46 77.197 16.975 22.789 1.00 34.98 H new ATOM 0 HD3 ARG A 46 75.787 17.953 23.142 1.00 34.98 H new ATOM 0 HE ARG A 46 77.716 16.867 25.071 1.00 37.59 H new ATOM 0 HH11 ARG A 46 74.452 18.175 24.607 1.00 35.42 H new ATOM 0 HH12 ARG A 46 74.310 18.711 26.284 1.00 35.42 H new ATOM 0 HH21 ARG A 46 77.513 17.573 27.219 1.00 38.71 H new ATOM 0 HH22 ARG A 46 76.030 18.373 27.752 1.00 38.71 H new ATOM 742 N GLY A 47 72.202 14.504 20.022 1.00 23.54 N ATOM 743 CA GLY A 47 71.645 14.423 18.689 1.00 20.18 C ATOM 744 C GLY A 47 70.379 15.227 18.520 1.00 18.28 C ATOM 745 O GLY A 47 69.656 15.478 19.485 1.00 15.10 O ATOM 0 H GLY A 47 71.516 14.589 20.772 1.00 23.54 H new ATOM 0 HA2 GLY A 47 72.387 14.772 17.971 1.00 20.18 H new ATOM 0 HA3 GLY A 47 71.438 13.379 18.452 1.00 20.18 H new ATOM 749 N MET A 48 70.117 15.639 17.284 1.00 19.75 N ATOM 750 CA MET A 48 68.925 16.410 16.975 1.00 24.37 C ATOM 751 C MET A 48 67.712 15.493 16.872 1.00 21.67 C ATOM 752 O MET A 48 67.824 14.351 16.427 1.00 23.42 O ATOM 753 CB MET A 48 69.102 17.203 15.675 1.00 23.84 C ATOM 754 CG MET A 48 69.084 16.346 14.417 1.00 29.41 C ATOM 755 SD MET A 48 69.069 17.330 12.906 1.00 32.83 S ATOM 756 CE MET A 48 68.897 16.046 11.669 1.00 33.81 C ATOM 0 H MET A 48 70.717 15.450 16.481 1.00 19.75 H new ATOM 0 HA MET A 48 68.763 17.120 17.786 1.00 24.37 H new ATOM 0 HB2 MET A 48 68.309 17.948 15.606 1.00 23.84 H new ATOM 0 HB3 MET A 48 70.046 17.746 15.719 1.00 23.84 H new ATOM 0 HG2 MET A 48 69.958 15.695 14.413 1.00 29.41 H new ATOM 0 HG3 MET A 48 68.206 15.701 14.434 1.00 29.41 H new ATOM 0 HE1 MET A 48 68.908 16.494 10.675 1.00 33.81 H new ATOM 0 HE2 MET A 48 69.724 15.341 11.759 1.00 33.81 H new ATOM 0 HE3 MET A 48 67.954 15.520 11.819 1.00 33.81 H new ATOM 766 N PHE A 49 66.558 15.997 17.290 1.00 19.37 N ATOM 767 CA PHE A 49 65.325 15.217 17.250 1.00 19.28 C ATOM 768 C PHE A 49 64.124 16.098 16.908 1.00 17.06 C ATOM 769 O PHE A 49 64.147 17.309 17.137 1.00 14.70 O ATOM 770 CB PHE A 49 65.096 14.511 18.590 1.00 18.38 C ATOM 771 CG PHE A 49 65.502 15.338 19.776 1.00 19.54 C ATOM 772 CD1 PHE A 49 64.618 16.237 20.350 1.00 21.48 C ATOM 773 CD2 PHE A 49 66.773 15.220 20.309 1.00 18.95 C ATOM 774 CE1 PHE A 49 64.999 17.004 21.434 1.00 20.51 C ATOM 775 CE2 PHE A 49 67.158 15.983 21.392 1.00 17.87 C ATOM 776 CZ PHE A 49 66.271 16.876 21.955 1.00 18.61 C ATOM 0 H PHE A 49 66.449 16.941 17.660 1.00 19.37 H new ATOM 0 HA PHE A 49 65.430 14.466 16.467 1.00 19.28 H new ATOM 0 HB2 PHE A 49 64.041 14.252 18.681 1.00 18.38 H new ATOM 0 HB3 PHE A 49 65.655 13.576 18.600 1.00 18.38 H new ATOM 0 HD1 PHE A 49 63.622 16.339 19.946 1.00 21.48 H new ATOM 0 HD2 PHE A 49 67.472 14.522 19.872 1.00 18.95 H new ATOM 0 HE1 PHE A 49 64.303 17.703 21.873 1.00 20.51 H new ATOM 0 HE2 PHE A 49 68.153 15.881 21.799 1.00 17.87 H new ATOM 0 HZ PHE A 49 66.571 17.475 22.802 1.00 18.61 H new ATOM 786 N PRO A 50 63.055 15.493 16.352 1.00 18.64 N ATOM 787 CA PRO A 50 61.840 16.222 15.969 1.00 17.68 C ATOM 788 C PRO A 50 61.200 16.974 17.139 1.00 17.04 C ATOM 789 O PRO A 50 61.285 16.547 18.293 1.00 17.64 O ATOM 790 CB PRO A 50 60.899 15.128 15.448 1.00 18.09 C ATOM 791 CG PRO A 50 61.473 13.842 15.939 1.00 15.45 C ATOM 792 CD PRO A 50 62.952 14.058 16.047 1.00 16.48 C ATOM 0 HA PRO A 50 62.059 16.995 15.232 1.00 17.68 H new ATOM 0 HB2 PRO A 50 59.885 15.273 15.820 1.00 18.09 H new ATOM 0 HB3 PRO A 50 60.844 15.143 14.359 1.00 18.09 H new ATOM 0 HG2 PRO A 50 61.048 13.570 16.905 1.00 15.45 H new ATOM 0 HG3 PRO A 50 61.248 13.027 15.251 1.00 15.45 H new ATOM 0 HD2 PRO A 50 63.393 13.446 16.833 1.00 16.48 H new ATOM 0 HD3 PRO A 50 63.466 13.805 15.120 1.00 16.48 H new ATOM 800 N ASP A 51 60.559 18.096 16.816 1.00 18.08 N ATOM 801 CA ASP A 51 59.910 18.947 17.816 1.00 21.32 C ATOM 802 C ASP A 51 58.613 18.337 18.364 1.00 20.86 C ATOM 803 O ASP A 51 58.356 18.407 19.567 1.00 22.92 O ATOM 804 CB ASP A 51 59.617 20.330 17.220 1.00 20.97 C ATOM 805 CG ASP A 51 58.506 20.300 16.183 1.00 24.99 C ATOM 806 OD1 ASP A 51 58.716 19.715 15.099 1.00 24.50 O ATOM 807 OD2 ASP A 51 57.424 20.860 16.458 1.00 25.32 O ATOM 0 H ASP A 51 60.474 18.441 15.860 1.00 18.08 H new ATOM 0 HA ASP A 51 60.604 19.037 18.652 1.00 21.32 H new ATOM 0 HB2 ASP A 51 59.341 21.015 18.022 1.00 20.97 H new ATOM 0 HB3 ASP A 51 60.525 20.723 16.762 1.00 20.97 H new ATOM 812 N ASN A 52 57.802 17.739 17.486 1.00 21.11 N ATOM 813 CA ASN A 52 56.523 17.152 17.901 1.00 22.93 C ATOM 814 C ASN A 52 56.673 15.738 18.487 1.00 22.66 C ATOM 815 O ASN A 52 55.675 15.043 18.688 1.00 22.72 O ATOM 816 CB ASN A 52 55.539 17.141 16.725 1.00 22.50 C ATOM 817 CG ASN A 52 55.995 16.256 15.577 1.00 24.81 C ATOM 818 OD1 ASN A 52 56.785 16.677 14.731 1.00 25.56 O ATOM 819 ND2 ASN A 52 55.489 15.028 15.536 1.00 22.94 N ATOM 0 H ASN A 52 58.006 17.649 16.491 1.00 21.11 H new ATOM 0 HA ASN A 52 56.131 17.781 18.700 1.00 22.93 H new ATOM 0 HB2 ASN A 52 54.566 16.798 17.076 1.00 22.50 H new ATOM 0 HB3 ASN A 52 55.406 18.160 16.360 1.00 22.50 H new ATOM 0 HD21 ASN A 52 55.752 14.393 14.783 1.00 22.94 H new ATOM 0 HD22 ASN A 52 54.837 14.721 16.258 1.00 22.94 H new ATOM 826 N PHE A 53 57.909 15.318 18.762 1.00 21.55 N ATOM 827 CA PHE A 53 58.162 13.999 19.337 1.00 20.71 C ATOM 828 C PHE A 53 58.575 14.117 20.802 1.00 21.87 C ATOM 829 O PHE A 53 58.361 13.195 21.589 1.00 21.91 O ATOM 830 CB PHE A 53 59.243 13.266 18.542 1.00 20.11 C ATOM 831 CG PHE A 53 58.735 12.629 17.275 1.00 19.57 C ATOM 832 CD1 PHE A 53 58.270 13.408 16.228 1.00 17.93 C ATOM 833 CD2 PHE A 53 58.726 11.251 17.135 1.00 17.81 C ATOM 834 CE1 PHE A 53 57.805 12.822 15.065 1.00 17.12 C ATOM 835 CE2 PHE A 53 58.262 10.662 15.975 1.00 15.91 C ATOM 836 CZ PHE A 53 57.801 11.449 14.939 1.00 18.05 C ATOM 0 H PHE A 53 58.749 15.873 18.595 1.00 21.55 H new ATOM 0 HA PHE A 53 57.238 13.424 19.284 1.00 20.71 H new ATOM 0 HB2 PHE A 53 60.037 13.969 18.292 1.00 20.11 H new ATOM 0 HB3 PHE A 53 59.686 12.496 19.173 1.00 20.11 H new ATOM 0 HD1 PHE A 53 58.271 14.484 16.321 1.00 17.93 H new ATOM 0 HD2 PHE A 53 59.086 10.630 17.942 1.00 17.81 H new ATOM 0 HE1 PHE A 53 57.445 13.440 14.256 1.00 17.12 H new ATOM 0 HE2 PHE A 53 58.260 9.586 15.879 1.00 15.91 H new ATOM 0 HZ PHE A 53 57.438 10.990 14.031 1.00 18.05 H new ATOM 846 N VAL A 54 59.172 15.257 21.159 1.00 20.47 N ATOM 847 CA VAL A 54 59.605 15.508 22.525 1.00 19.01 C ATOM 848 C VAL A 54 58.846 16.694 23.114 1.00 19.31 C ATOM 849 O VAL A 54 58.605 17.689 22.427 1.00 17.80 O ATOM 850 CB VAL A 54 61.122 15.785 22.598 1.00 19.69 C ATOM 851 CG1 VAL A 54 61.909 14.556 22.168 1.00 15.47 C ATOM 852 CG2 VAL A 54 61.499 16.990 21.746 1.00 16.35 C ATOM 0 H VAL A 54 59.365 16.022 20.512 1.00 20.47 H new ATOM 0 HA VAL A 54 59.390 14.610 23.104 1.00 19.01 H new ATOM 0 HB VAL A 54 61.376 16.013 23.633 1.00 19.69 H new ATOM 0 HG11 VAL A 54 62.976 14.769 22.226 1.00 15.47 H new ATOM 0 HG12 VAL A 54 61.669 13.722 22.827 1.00 15.47 H new ATOM 0 HG13 VAL A 54 61.646 14.296 21.143 1.00 15.47 H new ATOM 0 HG21 VAL A 54 62.573 17.163 21.815 1.00 16.35 H new ATOM 0 HG22 VAL A 54 61.228 16.800 20.707 1.00 16.35 H new ATOM 0 HG23 VAL A 54 60.966 17.870 22.105 1.00 16.35 H new ATOM 862 N LYS A 55 58.467 16.581 24.382 1.00 19.27 N ATOM 863 CA LYS A 55 57.732 17.643 25.059 1.00 21.49 C ATOM 864 C LYS A 55 58.530 18.174 26.243 1.00 23.86 C ATOM 865 O LYS A 55 58.969 17.405 27.098 1.00 23.57 O ATOM 866 CB LYS A 55 56.368 17.135 25.534 1.00 21.82 C ATOM 867 CG LYS A 55 55.520 16.522 24.428 1.00 22.17 C ATOM 868 CD LYS A 55 55.205 17.532 23.334 1.00 20.83 C ATOM 869 CE LYS A 55 54.521 16.873 22.147 1.00 24.52 C ATOM 870 NZ LYS A 55 55.400 15.869 21.481 1.00 24.40 N ATOM 0 H LYS A 55 58.657 15.764 24.962 1.00 19.27 H new ATOM 0 HA LYS A 55 57.576 18.454 24.348 1.00 21.49 H new ATOM 0 HB2 LYS A 55 56.520 16.391 26.316 1.00 21.82 H new ATOM 0 HB3 LYS A 55 55.819 17.963 25.983 1.00 21.82 H new ATOM 0 HG2 LYS A 55 56.046 15.670 23.996 1.00 22.17 H new ATOM 0 HG3 LYS A 55 54.590 16.142 24.851 1.00 22.17 H new ATOM 0 HD2 LYS A 55 54.563 18.316 23.735 1.00 20.83 H new ATOM 0 HD3 LYS A 55 56.126 18.012 23.004 1.00 20.83 H new ATOM 0 HE2 LYS A 55 53.604 16.387 22.481 1.00 24.52 H new ATOM 0 HE3 LYS A 55 54.232 17.637 21.425 1.00 24.52 H new ATOM 0 HZ1 LYS A 55 55.048 15.682 20.520 1.00 24.40 H new ATOM 0 HZ2 LYS A 55 56.371 16.238 21.428 1.00 24.40 H new ATOM 0 HZ3 LYS A 55 55.395 14.985 22.029 1.00 24.40 H new ATOM 884 N GLU A 56 58.718 19.491 26.291 1.00 24.78 N ATOM 885 CA GLU A 56 59.466 20.112 27.381 1.00 27.68 C ATOM 886 C GLU A 56 58.782 19.840 28.719 1.00 27.45 C ATOM 887 O GLU A 56 57.568 20.017 28.849 1.00 29.34 O ATOM 888 CB GLU A 56 59.609 21.622 27.156 1.00 29.40 C ATOM 889 CG GLU A 56 58.285 22.366 27.066 1.00 32.23 C ATOM 890 CD GLU A 56 58.467 23.836 26.740 1.00 32.36 C ATOM 891 OE1 GLU A 56 58.707 24.627 27.676 1.00 36.50 O ATOM 892 OE2 GLU A 56 58.374 24.195 25.547 1.00 34.64 O ATOM 0 H GLU A 56 58.365 20.145 25.592 1.00 24.78 H new ATOM 0 HA GLU A 56 60.463 19.673 27.400 1.00 27.68 H new ATOM 0 HB2 GLU A 56 60.197 22.046 27.971 1.00 29.40 H new ATOM 0 HB3 GLU A 56 60.171 21.790 26.237 1.00 29.40 H new ATOM 0 HG2 GLU A 56 57.662 21.902 26.301 1.00 32.23 H new ATOM 0 HG3 GLU A 56 57.753 22.270 28.012 1.00 32.23 H new ATOM 899 N ILE A 57 59.561 19.408 29.710 1.00 28.44 N ATOM 900 CA ILE A 57 59.013 19.108 31.029 1.00 27.11 C ATOM 901 C ILE A 57 58.992 20.361 31.905 1.00 29.50 C ATOM 902 O ILE A 57 59.925 20.621 32.667 1.00 28.05 O ATOM 903 CB ILE A 57 59.803 17.982 31.739 1.00 26.77 C ATOM 904 CG1 ILE A 57 59.910 16.753 30.828 1.00 25.02 C ATOM 905 CG2 ILE A 57 59.137 17.615 33.060 1.00 23.48 C ATOM 906 CD1 ILE A 57 60.553 15.550 31.490 1.00 24.60 C ATOM 0 H ILE A 57 60.566 19.259 29.624 1.00 28.44 H new ATOM 0 HA ILE A 57 57.991 18.759 30.879 1.00 27.11 H new ATOM 0 HB ILE A 57 60.809 18.343 31.952 1.00 26.77 H new ATOM 0 HG12 ILE A 57 58.912 16.477 30.488 1.00 25.02 H new ATOM 0 HG13 ILE A 57 60.487 17.019 29.942 1.00 25.02 H new ATOM 0 HG21 ILE A 57 59.705 16.822 33.546 1.00 23.48 H new ATOM 0 HG22 ILE A 57 59.108 18.491 33.709 1.00 23.48 H new ATOM 0 HG23 ILE A 57 58.121 17.270 32.871 1.00 23.48 H new ATOM 0 HD11 ILE A 57 60.592 14.723 30.782 1.00 24.60 H new ATOM 0 HD12 ILE A 57 61.565 15.806 31.806 1.00 24.60 H new ATOM 0 HD13 ILE A 57 59.965 15.256 32.360 1.00 24.60 H new ATOM 918 N LYS A 58 57.921 21.142 31.768 1.00 30.67 N ATOM 919 CA LYS A 58 57.757 22.375 32.535 1.00 34.32 C ATOM 920 C LYS A 58 57.277 22.073 33.955 1.00 33.94 C ATOM 921 O LYS A 58 56.092 21.704 34.118 1.00 34.32 O ATOM 922 CB LYS A 58 56.773 23.317 31.829 1.00 33.25 C ATOM 923 CG LYS A 58 57.158 23.636 30.392 1.00 34.92 C ATOM 924 CD LYS A 58 56.156 24.578 29.737 1.00 37.93 C ATOM 925 CE LYS A 58 56.223 25.978 30.332 1.00 41.50 C ATOM 926 NZ LYS A 58 57.536 26.633 30.077 1.00 44.29 N ATOM 927 OXT LYS A 58 58.090 22.208 34.893 1.00 24.60 O ATOM 0 H LYS A 58 57.151 20.941 31.130 1.00 30.67 H new ATOM 0 HA LYS A 58 58.728 22.867 32.600 1.00 34.32 H new ATOM 0 HB2 LYS A 58 55.781 22.866 31.839 1.00 33.25 H new ATOM 0 HB3 LYS A 58 56.706 24.247 32.393 1.00 33.25 H new ATOM 0 HG2 LYS A 58 58.149 24.088 30.373 1.00 34.92 H new ATOM 0 HG3 LYS A 58 57.218 22.712 29.817 1.00 34.92 H new ATOM 0 HD2 LYS A 58 56.351 24.629 28.666 1.00 37.93 H new ATOM 0 HD3 LYS A 58 55.149 24.179 29.859 1.00 37.93 H new ATOM 0 HE2 LYS A 58 55.425 26.589 29.910 1.00 41.50 H new ATOM 0 HE3 LYS A 58 56.048 25.923 31.407 1.00 41.50 H new ATOM 0 HZ1 LYS A 58 57.381 27.618 29.782 1.00 44.29 H new ATOM 0 HZ2 LYS A 58 58.107 26.617 30.946 1.00 44.29 H new ATOM 0 HZ3 LYS A 58 58.039 26.122 29.324 1.00 44.29 H new TER 941 LYS A 58