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 Set 1.1: A 4 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=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= -0.32 X(o=-0.32,f=-0.0064) USER MOD Single : A 19 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 28 ASN : amide:sc= -0.012 X(o=-0.012,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.27) USER MOD Single : A 43 ASN : amide:sc= -0.145 X(o=-0.14,f=-0.48) USER MOD Single : A 48 MET CE :methyl 177:sc= -0.304 (180deg=-0.331) USER MOD Single : A 52 ASN : amide:sc= 0.00169 X(o=0.0017,f=-0.14) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0211) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 67.072 23.208 29.109 1.00 30.78 N ATOM 2 CA VAL A 2 65.744 22.662 29.499 1.00 30.87 C ATOM 3 C VAL A 2 65.588 21.214 29.034 1.00 30.54 C ATOM 4 O VAL A 2 65.968 20.871 27.915 1.00 30.95 O ATOM 5 CB VAL A 2 64.592 23.523 28.928 1.00 30.89 C ATOM 6 CG1 VAL A 2 64.599 23.514 27.405 1.00 31.43 C ATOM 7 CG2 VAL A 2 63.249 23.049 29.464 1.00 33.03 C ATOM 0 HA VAL A 2 65.690 22.690 30.587 1.00 30.87 H new ATOM 0 HB VAL A 2 64.749 24.551 29.256 1.00 30.89 H new ATOM 0 HG11 VAL A 2 63.778 24.128 27.034 1.00 31.43 H new ATOM 0 HG12 VAL A 2 65.545 23.916 27.043 1.00 31.43 H new ATOM 0 HG13 VAL A 2 64.479 22.492 27.047 1.00 31.43 H new ATOM 0 HG21 VAL A 2 62.453 23.668 29.050 1.00 33.03 H new ATOM 0 HG22 VAL A 2 63.088 22.010 29.176 1.00 33.03 H new ATOM 0 HG23 VAL A 2 63.242 23.129 30.551 1.00 33.03 H new ATOM 19 N ASP A 3 65.017 20.373 29.897 1.00 30.12 N ATOM 20 CA ASP A 3 64.827 18.960 29.580 1.00 29.72 C ATOM 21 C ASP A 3 63.514 18.717 28.840 1.00 29.67 C ATOM 22 O ASP A 3 62.543 19.458 29.005 1.00 29.66 O ATOM 23 CB ASP A 3 64.868 18.116 30.857 1.00 29.23 C ATOM 24 CG ASP A 3 66.275 17.964 31.405 1.00 29.67 C ATOM 25 OD1 ASP A 3 66.739 18.878 32.117 1.00 29.24 O ATOM 26 OD2 ASP A 3 66.915 16.930 31.116 1.00 29.71 O ATOM 0 H ASP A 3 64.679 20.647 30.820 1.00 30.12 H new ATOM 0 HA ASP A 3 65.643 18.661 28.922 1.00 29.72 H new ATOM 0 HB2 ASP A 3 64.234 18.577 31.614 1.00 29.23 H new ATOM 0 HB3 ASP A 3 64.453 17.130 30.651 1.00 29.23 H new ATOM 31 N TYR A 4 63.503 17.662 28.028 1.00 29.32 N ATOM 32 CA TYR A 4 62.325 17.288 27.249 1.00 29.16 C ATOM 33 C TYR A 4 62.018 15.804 27.415 1.00 29.47 C ATOM 34 O TYR A 4 62.914 14.999 27.673 1.00 30.11 O ATOM 35 CB TYR A 4 62.535 17.607 25.766 1.00 29.28 C ATOM 36 CG TYR A 4 62.134 19.012 25.370 1.00 28.49 C ATOM 37 CD1 TYR A 4 62.763 20.121 25.921 1.00 28.74 C ATOM 38 CD2 TYR A 4 61.128 19.225 24.437 1.00 26.60 C ATOM 39 CE1 TYR A 4 62.398 21.402 25.555 1.00 29.38 C ATOM 40 CE2 TYR A 4 60.759 20.502 24.064 1.00 26.79 C ATOM 41 CZ TYR A 4 61.397 21.589 24.626 1.00 28.64 C ATOM 42 OH TYR A 4 61.034 22.865 24.257 1.00 30.05 O ATOM 0 H TYR A 4 64.305 17.046 27.892 1.00 29.32 H new ATOM 0 HA TYR A 4 61.480 17.868 27.621 1.00 29.16 H new ATOM 0 HB2 TYR A 4 63.586 17.458 25.519 1.00 29.28 H new ATOM 0 HB3 TYR A 4 61.964 16.896 25.169 1.00 29.28 H new ATOM 0 HD1 TYR A 4 63.550 19.980 26.647 1.00 28.74 H new ATOM 0 HD2 TYR A 4 60.626 18.377 23.995 1.00 26.60 H new ATOM 0 HE1 TYR A 4 62.895 22.254 25.995 1.00 29.38 H new ATOM 0 HE2 TYR A 4 59.975 20.650 23.336 1.00 26.79 H new ATOM 0 HH TYR A 4 60.315 22.821 23.593 1.00 30.05 H new ATOM 52 N ILE A 5 60.746 15.453 27.261 1.00 29.15 N ATOM 53 CA ILE A 5 60.311 14.067 27.377 1.00 29.28 C ATOM 54 C ILE A 5 59.826 13.563 26.023 1.00 29.81 C ATOM 55 O ILE A 5 59.052 14.237 25.345 1.00 30.57 O ATOM 56 CB ILE A 5 59.189 13.903 28.435 1.00 28.41 C ATOM 57 CG1 ILE A 5 58.823 12.426 28.616 1.00 28.15 C ATOM 58 CG2 ILE A 5 57.956 14.715 28.060 1.00 28.40 C ATOM 59 CD1 ILE A 5 59.849 11.640 29.403 1.00 27.84 C ATOM 0 H ILE A 5 59.996 16.113 27.055 1.00 29.15 H new ATOM 0 HA ILE A 5 61.165 13.475 27.706 1.00 29.28 H new ATOM 0 HB ILE A 5 59.569 14.283 29.383 1.00 28.41 H new ATOM 0 HG12 ILE A 5 57.860 12.358 29.122 1.00 28.15 H new ATOM 0 HG13 ILE A 5 58.701 11.968 27.635 1.00 28.15 H new ATOM 0 HG21 ILE A 5 57.187 14.580 28.820 1.00 28.40 H new ATOM 0 HG22 ILE A 5 58.221 15.770 27.995 1.00 28.40 H new ATOM 0 HG23 ILE A 5 57.577 14.376 27.096 1.00 28.40 H new ATOM 0 HD11 ILE A 5 59.524 10.603 29.491 1.00 27.84 H new ATOM 0 HD12 ILE A 5 60.809 11.676 28.888 1.00 27.84 H new ATOM 0 HD13 ILE A 5 59.955 12.073 30.398 1.00 27.84 H new ATOM 71 N VAL A 6 60.277 12.377 25.632 1.00 29.56 N ATOM 72 CA VAL A 6 59.892 11.808 24.347 1.00 29.47 C ATOM 73 C VAL A 6 58.456 11.301 24.391 1.00 29.89 C ATOM 74 O VAL A 6 58.100 10.484 25.239 1.00 29.99 O ATOM 75 CB VAL A 6 60.825 10.653 23.926 1.00 30.29 C ATOM 76 CG1 VAL A 6 60.471 10.159 22.530 1.00 31.15 C ATOM 77 CG2 VAL A 6 62.282 11.085 23.986 1.00 29.36 C ATOM 0 H VAL A 6 60.906 11.794 26.183 1.00 29.56 H new ATOM 0 HA VAL A 6 59.977 12.606 23.610 1.00 29.47 H new ATOM 0 HB VAL A 6 60.685 9.831 24.628 1.00 30.29 H new ATOM 0 HG11 VAL A 6 61.140 9.345 22.252 1.00 31.15 H new ATOM 0 HG12 VAL A 6 59.441 9.802 22.521 1.00 31.15 H new ATOM 0 HG13 VAL A 6 60.578 10.976 21.817 1.00 31.15 H new ATOM 0 HG21 VAL A 6 62.920 10.254 23.685 1.00 29.36 H new ATOM 0 HG22 VAL A 6 62.440 11.927 23.312 1.00 29.36 H new ATOM 0 HG23 VAL A 6 62.531 11.384 25.004 1.00 29.36 H new ATOM 87 N GLU A 7 57.633 11.807 23.482 1.00 30.09 N ATOM 88 CA GLU A 7 56.235 11.401 23.400 1.00 29.69 C ATOM 89 C GLU A 7 56.004 10.454 22.219 1.00 29.64 C ATOM 90 O GLU A 7 55.023 9.708 22.199 1.00 29.82 O ATOM 91 CB GLU A 7 55.327 12.632 23.280 1.00 29.23 C ATOM 92 CG GLU A 7 55.651 13.519 22.085 1.00 30.93 C ATOM 93 CD GLU A 7 54.790 14.766 22.023 1.00 33.77 C ATOM 94 OE1 GLU A 7 53.616 14.658 21.609 1.00 37.96 O ATOM 95 OE2 GLU A 7 55.291 15.852 22.384 1.00 33.85 O ATOM 0 H GLU A 7 57.910 12.502 22.789 1.00 30.09 H new ATOM 0 HA GLU A 7 55.985 10.867 24.317 1.00 29.69 H new ATOM 0 HB2 GLU A 7 54.291 12.302 23.206 1.00 29.23 H new ATOM 0 HB3 GLU A 7 55.409 13.223 24.192 1.00 29.23 H new ATOM 0 HG2 GLU A 7 56.700 13.810 22.130 1.00 30.93 H new ATOM 0 HG3 GLU A 7 55.518 12.946 21.167 1.00 30.93 H new ATOM 102 N TYR A 8 56.911 10.489 21.238 1.00 29.48 N ATOM 103 CA TYR A 8 56.809 9.632 20.061 1.00 29.39 C ATOM 104 C TYR A 8 58.147 8.967 19.757 1.00 29.65 C ATOM 105 O TYR A 8 59.207 9.578 19.913 1.00 29.97 O ATOM 106 CB TYR A 8 56.346 10.440 18.845 1.00 28.72 C ATOM 107 CG TYR A 8 54.909 10.909 18.930 1.00 28.86 C ATOM 108 CD1 TYR A 8 53.860 9.998 18.918 1.00 27.36 C ATOM 109 CD2 TYR A 8 54.605 12.260 19.018 1.00 28.78 C ATOM 110 CE1 TYR A 8 52.548 10.423 18.994 1.00 26.64 C ATOM 111 CE2 TYR A 8 53.296 12.693 19.094 1.00 25.45 C ATOM 112 CZ TYR A 8 52.271 11.770 19.080 1.00 25.68 C ATOM 113 OH TYR A 8 50.962 12.195 19.155 1.00 28.95 O ATOM 0 H TYR A 8 57.725 11.104 21.239 1.00 29.48 H new ATOM 0 HA TYR A 8 56.073 8.857 20.274 1.00 29.39 H new ATOM 0 HB2 TYR A 8 56.995 11.308 18.730 1.00 28.72 H new ATOM 0 HB3 TYR A 8 56.467 9.831 17.949 1.00 28.72 H new ATOM 0 HD1 TYR A 8 54.074 8.942 18.848 1.00 27.36 H new ATOM 0 HD2 TYR A 8 55.405 12.985 19.027 1.00 28.78 H new ATOM 0 HE1 TYR A 8 51.743 9.703 18.986 1.00 26.64 H new ATOM 0 HE2 TYR A 8 53.076 13.748 19.164 1.00 25.45 H new ATOM 0 HH TYR A 8 50.938 13.173 19.212 1.00 28.95 H new ATOM 123 N ASP A 9 58.088 7.713 19.319 1.00 29.76 N ATOM 124 CA ASP A 9 59.292 6.957 18.984 1.00 29.81 C ATOM 125 C ASP A 9 59.828 7.388 17.622 1.00 29.68 C ATOM 126 O ASP A 9 59.088 7.411 16.636 1.00 29.46 O ATOM 127 CB ASP A 9 58.993 5.454 18.974 1.00 30.13 C ATOM 128 CG ASP A 9 58.374 4.975 20.275 1.00 30.81 C ATOM 129 OD1 ASP A 9 59.134 4.597 21.187 1.00 30.72 O ATOM 130 OD2 ASP A 9 57.129 4.981 20.379 1.00 32.05 O ATOM 0 H ASP A 9 57.218 7.197 19.187 1.00 29.76 H new ATOM 0 HA ASP A 9 60.048 7.161 19.742 1.00 29.81 H new ATOM 0 HB2 ASP A 9 58.318 5.227 18.149 1.00 30.13 H new ATOM 0 HB3 ASP A 9 59.916 4.904 18.791 1.00 30.13 H new ATOM 135 N TYR A 10 61.118 7.722 17.567 1.00 29.78 N ATOM 136 CA TYR A 10 61.744 8.160 16.323 1.00 30.21 C ATOM 137 C TYR A 10 63.018 7.369 16.040 1.00 30.35 C ATOM 138 O TYR A 10 63.834 7.146 16.937 1.00 30.57 O ATOM 139 CB TYR A 10 62.067 9.655 16.381 1.00 31.02 C ATOM 140 CG TYR A 10 62.555 10.217 15.062 1.00 31.33 C ATOM 141 CD1 TYR A 10 63.904 10.203 14.736 1.00 30.04 C ATOM 142 CD2 TYR A 10 61.663 10.752 14.142 1.00 32.60 C ATOM 143 CE1 TYR A 10 64.353 10.706 13.531 1.00 29.34 C ATOM 144 CE2 TYR A 10 62.103 11.258 12.934 1.00 31.19 C ATOM 145 CZ TYR A 10 63.449 11.234 12.633 1.00 31.13 C ATOM 146 OH TYR A 10 63.894 11.734 11.429 1.00 33.98 O ATOM 0 H TYR A 10 61.747 7.697 18.369 1.00 29.78 H new ATOM 0 HA TYR A 10 61.036 7.978 15.514 1.00 30.21 H new ATOM 0 HB2 TYR A 10 61.176 10.200 16.692 1.00 31.02 H new ATOM 0 HB3 TYR A 10 62.827 9.826 17.143 1.00 31.02 H new ATOM 0 HD1 TYR A 10 64.615 9.791 15.437 1.00 30.04 H new ATOM 0 HD2 TYR A 10 60.609 10.773 14.374 1.00 32.60 H new ATOM 0 HE1 TYR A 10 65.406 10.686 13.293 1.00 29.34 H new ATOM 0 HE2 TYR A 10 61.397 11.670 12.229 1.00 31.19 H new ATOM 0 HH TYR A 10 63.132 12.068 10.912 1.00 33.98 H new ATOM 156 N ASP A 11 63.180 6.952 14.785 1.00 30.13 N ATOM 157 CA ASP A 11 64.354 6.193 14.369 1.00 30.20 C ATOM 158 C ASP A 11 65.395 7.117 13.740 1.00 30.27 C ATOM 159 O ASP A 11 65.122 7.777 12.736 1.00 30.27 O ATOM 160 CB ASP A 11 63.958 5.095 13.377 1.00 30.58 C ATOM 161 CG ASP A 11 65.146 4.275 12.909 1.00 33.58 C ATOM 162 OD1 ASP A 11 65.465 3.262 13.565 1.00 36.69 O ATOM 163 OD2 ASP A 11 65.759 4.649 11.885 1.00 34.44 O ATOM 0 H ASP A 11 62.509 7.129 14.037 1.00 30.13 H new ATOM 0 HA ASP A 11 64.790 5.727 15.253 1.00 30.20 H new ATOM 0 HB2 ASP A 11 63.227 4.435 13.844 1.00 30.58 H new ATOM 0 HB3 ASP A 11 63.472 5.549 12.513 1.00 30.58 H new ATOM 168 N ALA A 12 66.584 7.160 14.339 1.00 30.24 N ATOM 169 CA ALA A 12 67.666 8.000 13.834 1.00 30.06 C ATOM 170 C ALA A 12 68.145 7.517 12.471 1.00 30.11 C ATOM 171 O ALA A 12 68.835 6.500 12.366 1.00 30.10 O ATOM 172 CB ALA A 12 68.824 8.035 14.820 1.00 30.62 C ATOM 0 H ALA A 12 66.821 6.623 15.173 1.00 30.24 H new ATOM 0 HA ALA A 12 67.277 9.012 13.718 1.00 30.06 H new ATOM 0 HB1 ALA A 12 69.620 8.666 14.424 1.00 30.62 H new ATOM 0 HB2 ALA A 12 68.479 8.439 15.772 1.00 30.62 H new ATOM 0 HB3 ALA A 12 69.204 7.025 14.971 1.00 30.62 H new ATOM 178 N VAL A 13 67.765 8.251 11.428 1.00 29.95 N ATOM 179 CA VAL A 13 68.161 7.914 10.066 1.00 29.45 C ATOM 180 C VAL A 13 69.514 8.543 9.744 1.00 29.31 C ATOM 181 O VAL A 13 70.339 7.945 9.052 1.00 29.46 O ATOM 182 CB VAL A 13 67.114 8.386 9.033 1.00 29.06 C ATOM 183 CG1 VAL A 13 67.527 7.986 7.622 1.00 30.56 C ATOM 184 CG2 VAL A 13 65.737 7.828 9.368 1.00 29.65 C ATOM 0 H VAL A 13 67.182 9.085 11.502 1.00 29.95 H new ATOM 0 HA VAL A 13 68.233 6.828 10.004 1.00 29.45 H new ATOM 0 HB VAL A 13 67.062 9.474 9.077 1.00 29.06 H new ATOM 0 HG11 VAL A 13 66.775 8.329 6.912 1.00 30.56 H new ATOM 0 HG12 VAL A 13 68.488 8.441 7.381 1.00 30.56 H new ATOM 0 HG13 VAL A 13 67.615 6.901 7.562 1.00 30.56 H new ATOM 0 HG21 VAL A 13 65.015 8.173 8.628 1.00 29.65 H new ATOM 0 HG22 VAL A 13 65.774 6.739 9.359 1.00 29.65 H new ATOM 0 HG23 VAL A 13 65.436 8.173 10.357 1.00 29.65 H new ATOM 194 N HIS A 14 69.730 9.755 10.258 1.00 29.13 N ATOM 195 CA HIS A 14 70.982 10.471 10.045 1.00 28.39 C ATOM 196 C HIS A 14 71.987 10.118 11.139 1.00 29.24 C ATOM 197 O HIS A 14 71.688 9.324 12.035 1.00 29.61 O ATOM 198 CB HIS A 14 70.740 11.985 10.020 1.00 27.81 C ATOM 199 CG HIS A 14 69.772 12.423 8.963 1.00 25.07 C ATOM 200 ND1 HIS A 14 70.163 13.025 7.784 1.00 22.40 N ATOM 201 CD2 HIS A 14 68.420 12.348 8.913 1.00 23.14 C ATOM 202 CE1 HIS A 14 69.096 13.301 7.058 1.00 22.51 C ATOM 203 NE2 HIS A 14 68.026 12.900 7.719 1.00 22.51 N ATOM 0 H HIS A 14 69.050 10.260 10.826 1.00 29.13 H new ATOM 0 HA HIS A 14 71.390 10.169 9.081 1.00 28.39 H new ATOM 0 HB2 HIS A 14 70.368 12.301 10.995 1.00 27.81 H new ATOM 0 HB3 HIS A 14 71.691 12.494 9.862 1.00 27.81 H new ATOM 0 HD2 HIS A 14 67.773 11.932 9.671 1.00 23.14 H new ATOM 0 HE1 HIS A 14 69.098 13.775 6.087 1.00 22.51 H new ATOM 0 HE2 HIS A 14 67.063 12.986 7.395 1.00 22.51 H new ATOM 212 N ASP A 15 73.175 10.709 11.066 1.00 29.77 N ATOM 213 CA ASP A 15 74.220 10.447 12.049 1.00 30.43 C ATOM 214 C ASP A 15 73.969 11.227 13.336 1.00 30.50 C ATOM 215 O ASP A 15 74.078 10.675 14.432 1.00 31.20 O ATOM 216 CB ASP A 15 75.597 10.796 11.476 1.00 30.36 C ATOM 217 CG ASP A 15 76.718 10.586 12.477 1.00 32.92 C ATOM 218 OD1 ASP A 15 77.169 9.432 12.632 1.00 32.02 O ATOM 219 OD2 ASP A 15 77.144 11.578 13.107 1.00 35.80 O ATOM 0 H ASP A 15 73.438 11.372 10.337 1.00 29.77 H new ATOM 0 HA ASP A 15 74.199 9.383 12.286 1.00 30.43 H new ATOM 0 HB2 ASP A 15 75.784 10.185 10.593 1.00 30.36 H new ATOM 0 HB3 ASP A 15 75.597 11.836 11.149 1.00 30.36 H new ATOM 224 N ASP A 16 73.635 12.510 13.200 1.00 30.30 N ATOM 225 CA ASP A 16 73.367 13.352 14.359 1.00 30.17 C ATOM 226 C ASP A 16 71.974 13.081 14.922 1.00 30.41 C ATOM 227 O ASP A 16 71.720 13.341 16.097 1.00 30.40 O ATOM 228 CB ASP A 16 73.508 14.835 13.998 1.00 30.03 C ATOM 229 CG ASP A 16 73.380 15.742 15.211 1.00 31.37 C ATOM 230 OD1 ASP A 16 74.337 15.805 16.011 1.00 32.50 O ATOM 231 OD2 ASP A 16 72.321 16.387 15.362 1.00 32.58 O ATOM 0 H ASP A 16 73.545 12.985 12.302 1.00 30.30 H new ATOM 0 HA ASP A 16 74.103 13.107 15.125 1.00 30.17 H new ATOM 0 HB2 ASP A 16 74.476 15.000 13.525 1.00 30.03 H new ATOM 0 HB3 ASP A 16 72.746 15.102 13.266 1.00 30.03 H new ATOM 236 N GLU A 17 71.075 12.553 14.084 1.00 29.99 N ATOM 237 CA GLU A 17 69.714 12.251 14.512 1.00 30.29 C ATOM 238 C GLU A 17 69.715 11.383 15.762 1.00 30.27 C ATOM 239 O GLU A 17 70.430 10.382 15.839 1.00 30.41 O ATOM 240 CB GLU A 17 68.928 11.562 13.393 1.00 30.81 C ATOM 241 CG GLU A 17 68.301 12.531 12.404 1.00 31.61 C ATOM 242 CD GLU A 17 67.352 13.511 13.067 1.00 33.47 C ATOM 243 OE1 GLU A 17 66.243 13.093 13.459 1.00 33.82 O ATOM 244 OE2 GLU A 17 67.720 14.697 13.200 1.00 36.11 O ATOM 0 H GLU A 17 71.269 12.328 13.108 1.00 29.99 H new ATOM 0 HA GLU A 17 69.225 13.196 14.748 1.00 30.29 H new ATOM 0 HB2 GLU A 17 69.594 10.887 12.855 1.00 30.81 H new ATOM 0 HB3 GLU A 17 68.143 10.949 13.836 1.00 30.81 H new ATOM 0 HG2 GLU A 17 69.090 13.084 11.894 1.00 31.61 H new ATOM 0 HG3 GLU A 17 67.762 11.968 11.642 1.00 31.61 H new ATOM 251 N LEU A 18 68.909 11.781 16.738 1.00 30.14 N ATOM 252 CA LEU A 18 68.805 11.056 17.991 1.00 30.21 C ATOM 253 C LEU A 18 67.627 10.090 17.955 1.00 30.38 C ATOM 254 O LEU A 18 66.507 10.478 17.615 1.00 30.74 O ATOM 255 CB LEU A 18 68.643 12.039 19.154 1.00 30.00 C ATOM 256 CG LEU A 18 69.362 11.649 20.449 1.00 30.27 C ATOM 257 CD1 LEU A 18 69.223 12.755 21.484 1.00 28.58 C ATOM 258 CD2 LEU A 18 68.818 10.336 20.994 1.00 28.44 C ATOM 0 H LEU A 18 68.315 12.608 16.682 1.00 30.14 H new ATOM 0 HA LEU A 18 69.720 10.481 18.135 1.00 30.21 H new ATOM 0 HB2 LEU A 18 69.008 13.015 18.836 1.00 30.00 H new ATOM 0 HB3 LEU A 18 67.580 12.150 19.368 1.00 30.00 H new ATOM 0 HG LEU A 18 70.420 11.512 20.227 1.00 30.27 H new ATOM 0 HD11 LEU A 18 69.739 12.464 22.399 1.00 28.58 H new ATOM 0 HD12 LEU A 18 69.663 13.674 21.096 1.00 28.58 H new ATOM 0 HD13 LEU A 18 68.168 12.921 21.700 1.00 28.58 H new ATOM 0 HD21 LEU A 18 69.343 10.078 21.914 1.00 28.44 H new ATOM 0 HD22 LEU A 18 67.753 10.441 21.201 1.00 28.44 H new ATOM 0 HD23 LEU A 18 68.968 9.546 20.258 1.00 28.44 H new ATOM 270 N THR A 19 67.887 8.833 18.303 1.00 30.23 N ATOM 271 CA THR A 19 66.841 7.821 18.324 1.00 29.85 C ATOM 272 C THR A 19 66.085 7.916 19.645 1.00 30.16 C ATOM 273 O THR A 19 66.416 7.224 20.611 1.00 30.81 O ATOM 274 CB THR A 19 67.409 6.393 18.158 1.00 28.87 C ATOM 275 OG1 THR A 19 68.238 6.322 16.994 1.00 30.34 O ATOM 276 CG2 THR A 19 66.287 5.371 18.042 1.00 27.27 C ATOM 0 H THR A 19 68.810 8.494 18.573 1.00 30.23 H new ATOM 0 HA THR A 19 66.174 8.009 17.483 1.00 29.85 H new ATOM 0 HB THR A 19 68.003 6.164 19.043 1.00 28.87 H new ATOM 0 HG1 THR A 19 68.593 5.413 16.900 1.00 30.34 H new ATOM 0 HG21 THR A 19 66.713 4.374 17.926 1.00 27.27 H new ATOM 0 HG22 THR A 19 65.673 5.401 18.942 1.00 27.27 H new ATOM 0 HG23 THR A 19 65.670 5.605 17.174 1.00 27.27 H new ATOM 284 N ILE A 20 65.079 8.789 19.692 1.00 30.01 N ATOM 285 CA ILE A 20 64.298 8.992 20.908 1.00 29.56 C ATOM 286 C ILE A 20 63.124 8.017 21.001 1.00 29.93 C ATOM 287 O ILE A 20 62.435 7.760 20.013 1.00 30.39 O ATOM 288 CB ILE A 20 63.765 10.442 20.998 1.00 29.12 C ATOM 289 CG1 ILE A 20 62.862 10.770 19.800 1.00 29.01 C ATOM 290 CG2 ILE A 20 64.922 11.429 21.077 1.00 26.69 C ATOM 291 CD1 ILE A 20 62.252 12.153 19.859 1.00 23.44 C ATOM 0 H ILE A 20 64.787 9.365 18.903 1.00 30.01 H new ATOM 0 HA ILE A 20 64.973 8.805 21.743 1.00 29.56 H new ATOM 0 HB ILE A 20 63.169 10.529 21.906 1.00 29.12 H new ATOM 0 HG12 ILE A 20 63.443 10.678 18.882 1.00 29.01 H new ATOM 0 HG13 ILE A 20 62.062 10.032 19.746 1.00 29.01 H new ATOM 0 HG21 ILE A 20 64.530 12.444 21.140 1.00 26.69 H new ATOM 0 HG22 ILE A 20 65.522 11.216 21.962 1.00 26.69 H new ATOM 0 HG23 ILE A 20 65.543 11.334 20.186 1.00 26.69 H new ATOM 0 HD11 ILE A 20 61.627 12.313 18.980 1.00 23.44 H new ATOM 0 HD12 ILE A 20 61.643 12.244 20.758 1.00 23.44 H new ATOM 0 HD13 ILE A 20 63.045 12.900 19.881 1.00 23.44 H new ATOM 303 N ARG A 21 62.912 7.478 22.199 1.00 29.61 N ATOM 304 CA ARG A 21 61.824 6.539 22.452 1.00 29.35 C ATOM 305 C ARG A 21 60.845 7.135 23.456 1.00 29.47 C ATOM 306 O ARG A 21 61.262 7.702 24.467 1.00 29.56 O ATOM 307 CB ARG A 21 62.386 5.217 22.986 1.00 28.81 C ATOM 308 CG ARG A 21 61.331 4.148 23.229 1.00 27.09 C ATOM 309 CD ARG A 21 61.878 2.995 24.056 1.00 24.85 C ATOM 310 NE ARG A 21 62.950 2.274 23.366 1.00 22.16 N ATOM 311 CZ ARG A 21 63.449 1.104 23.775 1.00 21.44 C ATOM 312 NH1 ARG A 21 62.979 0.515 24.873 1.00 18.82 N ATOM 313 NH2 ARG A 21 64.422 0.522 23.083 1.00 20.39 N ATOM 0 H ARG A 21 63.487 7.679 23.017 1.00 29.61 H new ATOM 0 HA ARG A 21 61.297 6.346 21.517 1.00 29.35 H new ATOM 0 HB2 ARG A 21 63.120 4.834 22.277 1.00 28.81 H new ATOM 0 HB3 ARG A 21 62.915 5.410 23.920 1.00 28.81 H new ATOM 0 HG2 ARG A 21 60.477 4.590 23.741 1.00 27.09 H new ATOM 0 HG3 ARG A 21 60.969 3.770 22.273 1.00 27.09 H new ATOM 0 HD2 ARG A 21 62.253 3.378 25.005 1.00 24.85 H new ATOM 0 HD3 ARG A 21 61.069 2.302 24.289 1.00 24.85 H new ATOM 0 HE ARG A 21 63.340 2.691 22.521 1.00 22.16 H new ATOM 0 HH11 ARG A 21 62.232 0.957 25.409 1.00 18.82 H new ATOM 0 HH12 ARG A 21 63.366 -0.378 25.178 1.00 18.82 H new ATOM 0 HH21 ARG A 21 64.787 0.968 22.241 1.00 20.39 H new ATOM 0 HH22 ARG A 21 64.805 -0.371 23.393 1.00 20.39 H new ATOM 327 N VAL A 22 59.544 7.005 23.181 1.00 29.39 N ATOM 328 CA VAL A 22 58.512 7.545 24.063 1.00 29.82 C ATOM 329 C VAL A 22 58.776 7.185 25.527 1.00 30.17 C ATOM 330 O VAL A 22 58.927 6.011 25.874 1.00 30.31 O ATOM 331 CB VAL A 22 57.101 7.055 23.656 1.00 30.17 C ATOM 332 CG1 VAL A 22 57.003 5.537 23.727 1.00 31.46 C ATOM 333 CG2 VAL A 22 56.034 7.706 24.527 1.00 29.01 C ATOM 0 H VAL A 22 59.183 6.530 22.354 1.00 29.39 H new ATOM 0 HA VAL A 22 58.550 8.629 23.957 1.00 29.82 H new ATOM 0 HB VAL A 22 56.929 7.352 22.621 1.00 30.17 H new ATOM 0 HG11 VAL A 22 56.001 5.223 23.436 1.00 31.46 H new ATOM 0 HG12 VAL A 22 57.733 5.093 23.050 1.00 31.46 H new ATOM 0 HG13 VAL A 22 57.205 5.207 24.746 1.00 31.46 H new ATOM 0 HG21 VAL A 22 55.050 7.348 24.225 1.00 29.01 H new ATOM 0 HG22 VAL A 22 56.209 7.447 25.571 1.00 29.01 H new ATOM 0 HG23 VAL A 22 56.079 8.789 24.409 1.00 29.01 H new ATOM 343 N GLY A 23 58.842 8.212 26.373 1.00 30.09 N ATOM 344 CA GLY A 23 59.086 8.006 27.788 1.00 30.09 C ATOM 345 C GLY A 23 60.490 8.398 28.220 1.00 30.28 C ATOM 346 O GLY A 23 60.745 8.559 29.415 1.00 30.60 O ATOM 0 H GLY A 23 58.730 9.188 26.099 1.00 30.09 H new ATOM 0 HA2 GLY A 23 58.362 8.584 28.362 1.00 30.09 H new ATOM 0 HA3 GLY A 23 58.919 6.956 28.029 1.00 30.09 H new ATOM 350 N GLU A 24 61.406 8.549 27.260 1.00 30.33 N ATOM 351 CA GLU A 24 62.786 8.917 27.570 1.00 30.48 C ATOM 352 C GLU A 24 62.936 10.422 27.768 1.00 30.44 C ATOM 353 O GLU A 24 62.209 11.216 27.172 1.00 31.01 O ATOM 354 CB GLU A 24 63.727 8.445 26.456 1.00 30.44 C ATOM 355 CG GLU A 24 63.733 6.936 26.254 1.00 31.30 C ATOM 356 CD GLU A 24 64.131 6.177 27.506 1.00 34.49 C ATOM 357 OE1 GLU A 24 65.345 5.969 27.715 1.00 35.80 O ATOM 358 OE2 GLU A 24 63.228 5.792 28.279 1.00 33.15 O ATOM 0 H GLU A 24 61.216 8.422 26.266 1.00 30.33 H new ATOM 0 HA GLU A 24 63.054 8.424 28.504 1.00 30.48 H new ATOM 0 HB2 GLU A 24 63.438 8.926 25.521 1.00 30.44 H new ATOM 0 HB3 GLU A 24 64.740 8.775 26.685 1.00 30.44 H new ATOM 0 HG2 GLU A 24 62.741 6.612 25.938 1.00 31.30 H new ATOM 0 HG3 GLU A 24 64.422 6.685 25.448 1.00 31.30 H new ATOM 365 N ILE A 25 63.894 10.800 28.612 1.00 29.91 N ATOM 366 CA ILE A 25 64.164 12.206 28.897 1.00 29.69 C ATOM 367 C ILE A 25 65.491 12.623 28.272 1.00 29.98 C ATOM 368 O ILE A 25 66.518 11.975 28.486 1.00 30.38 O ATOM 369 CB ILE A 25 64.202 12.486 30.416 1.00 29.62 C ATOM 370 CG1 ILE A 25 62.874 12.079 31.066 1.00 29.46 C ATOM 371 CG2 ILE A 25 64.499 13.958 30.681 1.00 29.30 C ATOM 372 CD1 ILE A 25 62.860 12.229 32.572 1.00 30.29 C ATOM 0 H ILE A 25 64.498 10.148 29.112 1.00 29.91 H new ATOM 0 HA ILE A 25 63.351 12.789 28.464 1.00 29.69 H new ATOM 0 HB ILE A 25 65.001 11.891 30.858 1.00 29.62 H new ATOM 0 HG12 ILE A 25 62.072 12.684 30.642 1.00 29.46 H new ATOM 0 HG13 ILE A 25 62.659 11.041 30.812 1.00 29.46 H new ATOM 0 HG21 ILE A 25 64.522 14.137 31.756 1.00 29.30 H new ATOM 0 HG22 ILE A 25 65.466 14.218 30.249 1.00 29.30 H new ATOM 0 HG23 ILE A 25 63.722 14.573 30.227 1.00 29.30 H new ATOM 0 HD11 ILE A 25 61.888 11.922 32.959 1.00 30.29 H new ATOM 0 HD12 ILE A 25 63.638 11.602 33.007 1.00 30.29 H new ATOM 0 HD13 ILE A 25 63.043 13.271 32.836 1.00 30.29 H new ATOM 384 N ILE A 26 65.464 13.710 27.506 1.00 29.87 N ATOM 385 CA ILE A 26 66.667 14.206 26.846 1.00 29.43 C ATOM 386 C ILE A 26 67.306 15.324 27.665 1.00 29.27 C ATOM 387 O ILE A 26 66.646 16.305 28.017 1.00 29.24 O ATOM 388 CB ILE A 26 66.381 14.715 25.417 1.00 29.75 C ATOM 389 CG1 ILE A 26 65.641 13.655 24.593 1.00 29.52 C ATOM 390 CG2 ILE A 26 67.681 15.102 24.731 1.00 30.89 C ATOM 391 CD1 ILE A 26 64.146 13.634 24.829 1.00 32.07 C ATOM 0 H ILE A 26 64.625 14.262 27.328 1.00 29.87 H new ATOM 0 HA ILE A 26 67.356 13.364 26.772 1.00 29.43 H new ATOM 0 HB ILE A 26 65.741 15.594 25.489 1.00 29.75 H new ATOM 0 HG12 ILE A 26 65.830 13.833 23.534 1.00 29.52 H new ATOM 0 HG13 ILE A 26 66.051 12.673 24.829 1.00 29.52 H new ATOM 0 HG21 ILE A 26 67.468 15.460 23.724 1.00 30.89 H new ATOM 0 HG22 ILE A 26 68.172 15.891 25.300 1.00 30.89 H new ATOM 0 HG23 ILE A 26 68.336 14.233 24.677 1.00 30.89 H new ATOM 0 HD11 ILE A 26 63.691 12.859 24.212 1.00 32.07 H new ATOM 0 HD12 ILE A 26 63.946 13.425 25.880 1.00 32.07 H new ATOM 0 HD13 ILE A 26 63.722 14.603 24.565 1.00 32.07 H new ATOM 403 N ARG A 27 68.594 15.166 27.967 1.00 28.99 N ATOM 404 CA ARG A 27 69.326 16.147 28.765 1.00 29.24 C ATOM 405 C ARG A 27 69.693 17.388 27.957 1.00 29.28 C ATOM 406 O ARG A 27 70.315 17.292 26.897 1.00 29.72 O ATOM 407 CB ARG A 27 70.596 15.520 29.349 1.00 28.90 C ATOM 408 CG ARG A 27 70.325 14.393 30.334 1.00 28.44 C ATOM 409 CD ARG A 27 71.614 13.858 30.940 1.00 27.70 C ATOM 410 NE ARG A 27 72.315 14.871 31.732 1.00 24.46 N ATOM 411 CZ ARG A 27 73.590 14.770 32.118 1.00 23.71 C ATOM 412 NH1 ARG A 27 74.311 13.699 31.797 1.00 22.46 N ATOM 413 NH2 ARG A 27 74.145 15.746 32.830 1.00 19.02 N ATOM 0 H ARG A 27 69.153 14.366 27.670 1.00 28.99 H new ATOM 0 HA ARG A 27 68.664 16.458 29.573 1.00 29.24 H new ATOM 0 HB2 ARG A 27 71.210 15.138 28.533 1.00 28.90 H new ATOM 0 HB3 ARG A 27 71.177 16.295 29.849 1.00 28.90 H new ATOM 0 HG2 ARG A 27 69.670 14.752 31.128 1.00 28.44 H new ATOM 0 HG3 ARG A 27 69.797 13.585 29.827 1.00 28.44 H new ATOM 0 HD2 ARG A 27 71.387 12.999 31.571 1.00 27.70 H new ATOM 0 HD3 ARG A 27 72.269 13.505 30.143 1.00 27.70 H new ATOM 0 HE ARG A 27 71.797 15.706 32.006 1.00 24.46 H new ATOM 0 HH11 ARG A 27 73.891 12.946 31.252 1.00 22.46 H new ATOM 0 HH12 ARG A 27 75.284 13.631 32.096 1.00 22.46 H new ATOM 0 HH21 ARG A 27 73.598 16.569 33.080 1.00 19.02 H new ATOM 0 HH22 ARG A 27 75.118 15.671 33.126 1.00 19.02 H new ATOM 427 N ASN A 28 69.301 18.553 28.475 1.00 28.86 N ATOM 428 CA ASN A 28 69.592 19.838 27.841 1.00 28.88 C ATOM 429 C ASN A 28 69.098 19.895 26.395 1.00 29.38 C ATOM 430 O ASN A 28 69.892 19.889 25.452 1.00 29.65 O ATOM 431 CB ASN A 28 71.096 20.138 27.907 1.00 27.93 C ATOM 432 CG ASN A 28 71.418 21.585 27.578 1.00 28.84 C ATOM 433 OD1 ASN A 28 71.398 22.450 28.453 1.00 29.64 O ATOM 434 ND2 ASN A 28 71.723 21.856 26.312 1.00 28.08 N ATOM 0 H ASN A 28 68.774 18.631 29.345 1.00 28.86 H new ATOM 0 HA ASN A 28 69.050 20.603 28.397 1.00 28.88 H new ATOM 0 HB2 ASN A 28 71.466 19.905 28.906 1.00 27.93 H new ATOM 0 HB3 ASN A 28 71.624 19.485 27.212 1.00 27.93 H new ATOM 0 HD21 ASN A 28 71.952 22.811 26.036 1.00 28.08 H new ATOM 0 HD22 ASN A 28 71.728 21.109 25.617 1.00 28.08 H new ATOM 441 N VAL A 29 67.779 19.931 26.231 1.00 29.23 N ATOM 442 CA VAL A 29 67.174 20.016 24.907 1.00 29.16 C ATOM 443 C VAL A 29 67.017 21.472 24.484 1.00 29.69 C ATOM 444 O VAL A 29 66.155 22.190 24.994 1.00 30.31 O ATOM 445 CB VAL A 29 65.800 19.319 24.860 1.00 28.68 C ATOM 446 CG1 VAL A 29 65.174 19.444 23.478 1.00 29.28 C ATOM 447 CG2 VAL A 29 65.936 17.861 25.262 1.00 28.81 C ATOM 0 H VAL A 29 67.109 19.903 26.999 1.00 29.23 H new ATOM 0 HA VAL A 29 67.842 19.503 24.215 1.00 29.16 H new ATOM 0 HB VAL A 29 65.138 19.813 25.571 1.00 28.68 H new ATOM 0 HG11 VAL A 29 64.205 18.944 23.471 1.00 29.28 H new ATOM 0 HG12 VAL A 29 65.040 20.498 23.233 1.00 29.28 H new ATOM 0 HG13 VAL A 29 65.827 18.980 22.739 1.00 29.28 H new ATOM 0 HG21 VAL A 29 64.958 17.381 25.225 1.00 28.81 H new ATOM 0 HG22 VAL A 29 66.615 17.356 24.575 1.00 28.81 H new ATOM 0 HG23 VAL A 29 66.332 17.798 26.275 1.00 28.81 H new ATOM 457 N LYS A 30 67.861 21.899 23.549 1.00 29.93 N ATOM 458 CA LYS A 30 67.831 23.270 23.054 1.00 30.02 C ATOM 459 C LYS A 30 67.183 23.336 21.677 1.00 29.92 C ATOM 460 O LYS A 30 67.093 22.329 20.972 1.00 29.72 O ATOM 461 CB LYS A 30 69.251 23.845 22.991 1.00 30.09 C ATOM 462 CG LYS A 30 70.199 23.049 22.104 1.00 31.17 C ATOM 463 CD LYS A 30 71.531 23.757 21.921 1.00 36.15 C ATOM 464 CE LYS A 30 71.383 25.026 21.093 1.00 38.13 C ATOM 465 NZ LYS A 30 72.691 25.702 20.867 1.00 38.77 N ATOM 0 H LYS A 30 68.576 21.313 23.118 1.00 29.93 H new ATOM 0 HA LYS A 30 67.236 23.866 23.746 1.00 30.02 H new ATOM 0 HB2 LYS A 30 69.201 24.871 22.625 1.00 30.09 H new ATOM 0 HB3 LYS A 30 69.661 23.886 24.000 1.00 30.09 H new ATOM 0 HG2 LYS A 30 70.368 22.066 22.543 1.00 31.17 H new ATOM 0 HG3 LYS A 30 69.736 22.888 21.130 1.00 31.17 H new ATOM 0 HD2 LYS A 30 71.949 24.005 22.897 1.00 36.15 H new ATOM 0 HD3 LYS A 30 72.237 23.084 21.434 1.00 36.15 H new ATOM 0 HE2 LYS A 30 70.931 24.781 20.132 1.00 38.13 H new ATOM 0 HE3 LYS A 30 70.703 25.712 21.599 1.00 38.13 H new ATOM 0 HZ1 LYS A 30 72.544 26.561 20.299 1.00 38.77 H new ATOM 0 HZ2 LYS A 30 73.111 25.960 21.783 1.00 38.77 H new ATOM 0 HZ3 LYS A 30 73.332 25.058 20.361 1.00 38.77 H new ATOM 479 N LYS A 31 66.731 24.528 21.301 1.00 30.12 N ATOM 480 CA LYS A 31 66.101 24.727 20.004 1.00 30.63 C ATOM 481 C LYS A 31 67.148 25.122 18.969 1.00 30.21 C ATOM 482 O LYS A 31 67.973 26.005 19.212 1.00 29.89 O ATOM 483 CB LYS A 31 65.008 25.795 20.091 1.00 30.91 C ATOM 484 CG LYS A 31 63.815 25.377 20.937 1.00 32.81 C ATOM 485 CD LYS A 31 62.805 26.504 21.079 0.01 32.61 C ATOM 486 CE LYS A 31 61.565 26.056 21.841 0.01 32.87 C ATOM 487 NZ LYS A 31 61.886 25.611 23.228 0.01 32.94 N ATOM 0 H LYS A 31 66.790 25.368 21.876 1.00 30.12 H new ATOM 0 HA LYS A 31 65.637 23.790 19.697 1.00 30.63 H new ATOM 0 HB2 LYS A 31 65.436 26.708 20.506 1.00 30.91 H new ATOM 0 HB3 LYS A 31 64.664 26.034 19.085 1.00 30.91 H new ATOM 0 HG2 LYS A 31 63.333 24.511 20.484 1.00 32.81 H new ATOM 0 HG3 LYS A 31 64.159 25.070 21.925 1.00 32.81 H new ATOM 0 HD2 LYS A 31 63.267 27.344 21.598 0.01 32.61 H new ATOM 0 HD3 LYS A 31 62.516 26.860 20.090 0.01 32.61 H new ATOM 0 HE2 LYS A 31 60.849 26.877 21.881 0.01 32.87 H new ATOM 0 HE3 LYS A 31 61.084 25.240 21.302 0.01 32.87 H new ATOM 0 HZ1 LYS A 31 61.012 25.315 23.709 0.01 32.94 H new ATOM 0 HZ2 LYS A 31 62.549 24.810 23.191 0.01 32.94 H new ATOM 0 HZ3 LYS A 31 62.321 26.397 23.753 0.01 32.94 H new ATOM 501 N LEU A 32 67.110 24.460 17.816 1.00 30.17 N ATOM 502 CA LEU A 32 68.064 24.729 16.745 1.00 30.14 C ATOM 503 C LEU A 32 67.491 25.730 15.745 1.00 30.24 C ATOM 504 O LEU A 32 66.352 26.180 15.886 1.00 30.14 O ATOM 505 CB LEU A 32 68.440 23.422 16.036 1.00 30.00 C ATOM 506 CG LEU A 32 69.147 22.387 16.917 1.00 31.11 C ATOM 507 CD1 LEU A 32 69.310 21.070 16.171 1.00 33.13 C ATOM 508 CD2 LEU A 32 70.501 22.912 17.375 1.00 32.25 C ATOM 0 H LEU A 32 66.428 23.733 17.600 1.00 30.17 H new ATOM 0 HA LEU A 32 68.961 25.165 17.184 1.00 30.14 H new ATOM 0 HB2 LEU A 32 67.534 22.973 15.630 1.00 30.00 H new ATOM 0 HB3 LEU A 32 69.085 23.658 15.190 1.00 30.00 H new ATOM 0 HG LEU A 32 68.531 22.208 17.798 1.00 31.11 H new ATOM 0 HD11 LEU A 32 69.814 20.348 16.813 1.00 33.13 H new ATOM 0 HD12 LEU A 32 68.329 20.685 15.893 1.00 33.13 H new ATOM 0 HD13 LEU A 32 69.904 21.232 15.272 1.00 33.13 H new ATOM 0 HD21 LEU A 32 70.989 22.164 18.000 1.00 32.25 H new ATOM 0 HD22 LEU A 32 71.124 23.120 16.505 1.00 32.25 H new ATOM 0 HD23 LEU A 32 70.361 23.828 17.949 1.00 32.25 H new ATOM 520 N GLN A 33 68.287 26.075 14.733 1.00 30.41 N ATOM 521 CA GLN A 33 67.852 27.015 13.705 1.00 31.42 C ATOM 522 C GLN A 33 66.972 26.318 12.659 1.00 30.40 C ATOM 523 O GLN A 33 66.512 26.950 11.705 1.00 30.64 O ATOM 524 CB GLN A 33 69.066 27.672 13.035 1.00 32.26 C ATOM 525 CG GLN A 33 68.714 28.835 12.116 1.00 36.24 C ATOM 526 CD GLN A 33 67.901 29.911 12.816 1.00 40.54 C ATOM 527 OE1 GLN A 33 66.671 29.875 12.814 1.00 41.78 O ATOM 528 NE2 GLN A 33 68.588 30.875 13.423 1.00 42.18 N ATOM 0 H GLN A 33 69.234 25.718 14.605 1.00 30.41 H new ATOM 0 HA GLN A 33 67.255 27.791 14.184 1.00 31.42 H new ATOM 0 HB2 GLN A 33 69.747 28.027 13.809 1.00 32.26 H new ATOM 0 HB3 GLN A 33 69.603 26.918 12.460 1.00 32.26 H new ATOM 0 HG2 GLN A 33 69.632 29.275 11.726 1.00 36.24 H new ATOM 0 HG3 GLN A 33 68.152 28.460 11.261 1.00 36.24 H new ATOM 0 HE21 GLN A 33 69.608 30.867 13.400 1.00 42.18 H new ATOM 0 HE22 GLN A 33 68.095 31.623 13.911 1.00 42.18 H new ATOM 537 N GLU A 34 66.732 25.017 12.850 1.00 30.02 N ATOM 538 CA GLU A 34 65.902 24.247 11.941 1.00 30.43 C ATOM 539 C GLU A 34 64.541 24.003 12.581 1.00 30.10 C ATOM 540 O GLU A 34 64.451 23.402 13.654 1.00 30.59 O ATOM 541 CB GLU A 34 66.572 22.916 11.596 1.00 30.61 C ATOM 542 CG GLU A 34 67.956 23.067 10.983 1.00 33.14 C ATOM 543 CD GLU A 34 68.637 21.732 10.756 1.00 37.04 C ATOM 544 OE1 GLU A 34 68.334 21.076 9.737 1.00 38.11 O ATOM 545 OE2 GLU A 34 69.473 21.341 11.599 1.00 37.93 O ATOM 0 H GLU A 34 67.106 24.480 13.632 1.00 30.02 H new ATOM 0 HA GLU A 34 65.771 24.810 11.017 1.00 30.43 H new ATOM 0 HB2 GLU A 34 66.649 22.313 12.501 1.00 30.61 H new ATOM 0 HB3 GLU A 34 65.935 22.368 10.902 1.00 30.61 H new ATOM 0 HG2 GLU A 34 67.874 23.596 10.033 1.00 33.14 H new ATOM 0 HG3 GLU A 34 68.575 23.681 11.637 1.00 33.14 H new ATOM 552 N GLU A 35 63.489 24.476 11.920 1.00 30.07 N ATOM 553 CA GLU A 35 62.132 24.322 12.435 0.50 29.78 C ATOM 554 C GLU A 35 61.770 22.848 12.572 1.00 30.09 C ATOM 555 O GLU A 35 61.743 22.111 11.585 1.00 30.43 O ATOM 556 CB GLU A 35 61.124 25.030 11.522 0.50 29.62 C ATOM 557 CG GLU A 35 61.380 26.523 11.364 0.50 29.33 C ATOM 558 CD GLU A 35 61.355 27.267 12.686 0.50 28.70 C ATOM 559 OE1 GLU A 35 60.257 27.683 13.112 0.50 28.73 O ATOM 560 OE2 GLU A 35 62.433 27.432 13.295 0.50 27.25 O ATOM 0 H GLU A 35 63.549 24.968 11.029 1.00 30.07 H new ATOM 0 HA GLU A 35 62.092 24.782 13.422 0.50 29.78 H new ATOM 0 HB2 GLU A 35 61.147 24.561 10.538 0.50 29.62 H new ATOM 0 HB3 GLU A 35 60.121 24.883 11.922 0.50 29.62 H new ATOM 0 HG2 GLU A 35 62.348 26.672 10.887 0.50 29.33 H new ATOM 0 HG3 GLU A 35 60.628 26.948 10.699 0.50 29.33 H new ATOM 567 N GLY A 36 61.496 22.425 13.805 1.00 30.13 N ATOM 568 CA GLY A 36 61.143 21.042 14.059 1.00 29.64 C ATOM 569 C GLY A 36 62.330 20.191 14.465 1.00 29.87 C ATOM 570 O GLY A 36 62.231 18.964 14.492 1.00 30.05 O ATOM 0 H GLY A 36 61.513 23.020 14.633 1.00 30.13 H new ATOM 0 HA2 GLY A 36 60.390 21.004 14.846 1.00 29.64 H new ATOM 0 HA3 GLY A 36 60.689 20.618 13.163 1.00 29.64 H new ATOM 574 N TRP A 37 63.458 20.834 14.773 1.00 29.74 N ATOM 575 CA TRP A 37 64.654 20.116 15.181 1.00 29.59 C ATOM 576 C TRP A 37 65.233 20.695 16.463 1.00 29.70 C ATOM 577 O TRP A 37 65.432 21.906 16.583 1.00 30.29 O ATOM 578 CB TRP A 37 65.698 20.147 14.064 1.00 29.29 C ATOM 579 CG TRP A 37 65.295 19.351 12.859 1.00 29.26 C ATOM 580 CD1 TRP A 37 65.154 19.809 11.582 1.00 28.67 C ATOM 581 CD2 TRP A 37 64.969 17.956 12.823 1.00 29.10 C ATOM 582 NE1 TRP A 37 64.767 18.785 10.753 1.00 29.99 N ATOM 583 CE2 TRP A 37 64.646 17.637 11.491 1.00 29.48 C ATOM 584 CE3 TRP A 37 64.923 16.946 13.787 1.00 29.56 C ATOM 585 CZ2 TRP A 37 64.281 16.353 11.101 1.00 27.72 C ATOM 586 CZ3 TRP A 37 64.559 15.671 13.398 1.00 28.75 C ATOM 587 CH2 TRP A 37 64.244 15.384 12.066 1.00 26.29 C ATOM 0 H TRP A 37 63.562 21.848 14.746 1.00 29.74 H new ATOM 0 HA TRP A 37 64.376 19.080 15.376 1.00 29.59 H new ATOM 0 HB2 TRP A 37 65.873 21.181 13.767 1.00 29.29 H new ATOM 0 HB3 TRP A 37 66.643 19.761 14.447 1.00 29.29 H new ATOM 0 HD1 TRP A 37 65.322 20.829 11.268 1.00 28.67 H new ATOM 0 HE1 TRP A 37 64.597 18.866 9.750 1.00 29.99 H new ATOM 0 HE3 TRP A 37 65.167 17.158 14.817 1.00 29.56 H new ATOM 0 HZ2 TRP A 37 64.036 16.129 10.073 1.00 27.72 H new ATOM 0 HZ3 TRP A 37 64.517 14.883 14.135 1.00 28.75 H new ATOM 0 HH2 TRP A 37 63.966 14.377 11.794 1.00 26.29 H new ATOM 598 N LEU A 38 65.498 19.811 17.417 1.00 29.48 N ATOM 599 CA LEU A 38 66.059 20.198 18.705 1.00 29.37 C ATOM 600 C LEU A 38 67.375 19.467 18.941 1.00 29.69 C ATOM 601 O LEU A 38 67.685 18.503 18.246 1.00 30.33 O ATOM 602 CB LEU A 38 65.071 19.884 19.833 1.00 28.93 C ATOM 603 CG LEU A 38 63.710 20.576 19.721 1.00 28.10 C ATOM 604 CD1 LEU A 38 62.800 20.144 20.859 1.00 26.91 C ATOM 605 CD2 LEU A 38 63.875 22.090 19.716 1.00 27.03 C ATOM 0 H LEU A 38 65.331 18.809 17.320 1.00 29.48 H new ATOM 0 HA LEU A 38 66.247 21.272 18.697 1.00 29.37 H new ATOM 0 HB2 LEU A 38 64.911 18.806 19.864 1.00 28.93 H new ATOM 0 HB3 LEU A 38 65.527 20.166 20.782 1.00 28.93 H new ATOM 0 HG LEU A 38 63.251 20.279 18.778 1.00 28.10 H new ATOM 0 HD11 LEU A 38 61.837 20.645 20.765 1.00 26.91 H new ATOM 0 HD12 LEU A 38 62.653 19.065 20.818 1.00 26.91 H new ATOM 0 HD13 LEU A 38 63.257 20.412 21.812 1.00 26.91 H new ATOM 0 HD21 LEU A 38 62.896 22.562 19.636 1.00 27.03 H new ATOM 0 HD22 LEU A 38 64.356 22.407 20.642 1.00 27.03 H new ATOM 0 HD23 LEU A 38 64.491 22.386 18.867 1.00 27.03 H new ATOM 617 N GLU A 39 68.141 19.924 19.924 1.00 29.85 N ATOM 618 CA GLU A 39 69.427 19.310 20.243 1.00 30.01 C ATOM 619 C GLU A 39 69.489 18.929 21.720 1.00 29.88 C ATOM 620 O GLU A 39 69.340 19.784 22.593 1.00 29.98 O ATOM 621 CB GLU A 39 70.570 20.267 19.892 1.00 30.17 C ATOM 622 CG GLU A 39 71.940 19.606 19.854 1.00 32.87 C ATOM 623 CD GLU A 39 72.058 18.564 18.756 1.00 37.88 C ATOM 624 OE1 GLU A 39 72.198 18.953 17.577 1.00 38.59 O ATOM 625 OE2 GLU A 39 72.013 17.359 19.075 1.00 38.28 O ATOM 0 H GLU A 39 67.895 20.718 20.515 1.00 29.85 H new ATOM 0 HA GLU A 39 69.534 18.402 19.650 1.00 30.01 H new ATOM 0 HB2 GLU A 39 70.368 20.717 18.920 1.00 30.17 H new ATOM 0 HB3 GLU A 39 70.589 21.077 20.621 1.00 30.17 H new ATOM 0 HG2 GLU A 39 72.703 20.370 19.708 1.00 32.87 H new ATOM 0 HG3 GLU A 39 72.139 19.137 20.817 1.00 32.87 H new ATOM 632 N GLY A 40 69.719 17.644 21.995 1.00 29.49 N ATOM 633 CA GLY A 40 69.784 17.181 23.372 1.00 29.65 C ATOM 634 C GLY A 40 70.614 15.924 23.543 1.00 29.85 C ATOM 635 O GLY A 40 70.880 15.207 22.576 1.00 29.46 O ATOM 0 H GLY A 40 69.861 16.919 21.291 1.00 29.49 H new ATOM 0 HA2 GLY A 40 70.202 17.972 23.995 1.00 29.65 H new ATOM 0 HA3 GLY A 40 68.773 16.992 23.733 1.00 29.65 H new ATOM 639 N GLU A 41 71.014 15.658 24.785 1.00 29.93 N ATOM 640 CA GLU A 41 71.822 14.487 25.106 1.00 29.92 C ATOM 641 C GLU A 41 70.949 13.344 25.608 1.00 29.86 C ATOM 642 O GLU A 41 70.468 13.363 26.743 1.00 30.03 O ATOM 643 CB GLU A 41 72.887 14.835 26.153 1.00 29.67 C ATOM 644 CG GLU A 41 73.902 15.870 25.685 1.00 34.14 C ATOM 645 CD GLU A 41 73.366 17.290 25.739 1.00 36.56 C ATOM 646 OE1 GLU A 41 73.328 17.867 26.847 1.00 34.81 O ATOM 647 OE2 GLU A 41 72.986 17.825 24.676 1.00 37.88 O ATOM 0 H GLU A 41 70.789 16.243 25.589 1.00 29.93 H new ATOM 0 HA GLU A 41 72.321 14.165 24.192 1.00 29.92 H new ATOM 0 HB2 GLU A 41 72.392 15.207 27.050 1.00 29.67 H new ATOM 0 HB3 GLU A 41 73.416 13.924 26.435 1.00 29.67 H new ATOM 0 HG2 GLU A 41 74.796 15.801 26.305 1.00 34.14 H new ATOM 0 HG3 GLU A 41 74.204 15.640 24.663 1.00 34.14 H new ATOM 654 N LEU A 42 70.748 12.353 24.747 1.00 29.45 N ATOM 655 CA LEU A 42 69.945 11.185 25.082 1.00 29.26 C ATOM 656 C LEU A 42 70.698 9.914 24.726 1.00 30.02 C ATOM 657 O LEU A 42 71.333 9.833 23.671 1.00 30.38 O ATOM 658 CB LEU A 42 68.593 11.218 24.363 1.00 29.05 C ATOM 659 CG LEU A 42 67.662 10.044 24.687 1.00 26.88 C ATOM 660 CD1 LEU A 42 67.231 10.088 26.145 1.00 23.36 C ATOM 661 CD2 LEU A 42 66.448 10.055 23.771 1.00 25.54 C ATOM 0 H LEU A 42 71.135 12.337 23.803 1.00 29.45 H new ATOM 0 HA LEU A 42 69.756 11.200 26.155 1.00 29.26 H new ATOM 0 HB2 LEU A 42 68.084 12.148 24.619 1.00 29.05 H new ATOM 0 HB3 LEU A 42 68.770 11.237 23.288 1.00 29.05 H new ATOM 0 HG LEU A 42 68.210 9.117 24.519 1.00 26.88 H new ATOM 0 HD11 LEU A 42 66.571 9.246 26.355 1.00 23.36 H new ATOM 0 HD12 LEU A 42 68.110 10.028 26.786 1.00 23.36 H new ATOM 0 HD13 LEU A 42 66.703 11.021 26.340 1.00 23.36 H new ATOM 0 HD21 LEU A 42 65.799 9.214 24.017 1.00 25.54 H new ATOM 0 HD22 LEU A 42 65.900 10.987 23.905 1.00 25.54 H new ATOM 0 HD23 LEU A 42 66.774 9.971 22.734 1.00 25.54 H new ATOM 673 N ASN A 43 70.627 8.927 25.614 1.00 30.44 N ATOM 674 CA ASN A 43 71.312 7.654 25.415 1.00 30.67 C ATOM 675 C ASN A 43 72.836 7.834 25.482 1.00 30.06 C ATOM 676 O ASN A 43 73.589 6.979 25.015 1.00 29.74 O ATOM 677 CB ASN A 43 70.900 7.028 24.075 1.00 31.77 C ATOM 678 CG ASN A 43 71.179 5.537 24.014 1.00 35.53 C ATOM 679 OD1 ASN A 43 72.231 5.108 23.539 1.00 36.31 O ATOM 680 ND2 ASN A 43 70.235 4.735 24.500 1.00 40.09 N ATOM 0 H ASN A 43 70.098 8.985 26.484 1.00 30.44 H new ATOM 0 HA ASN A 43 71.017 6.979 26.219 1.00 30.67 H new ATOM 0 HB2 ASN A 43 69.837 7.201 23.909 1.00 31.77 H new ATOM 0 HB3 ASN A 43 71.434 7.527 23.266 1.00 31.77 H new ATOM 0 HD21 ASN A 43 70.369 3.724 24.488 1.00 40.09 H new ATOM 0 HD22 ASN A 43 69.378 5.131 24.885 1.00 40.09 H new ATOM 687 N GLY A 44 73.286 8.949 26.077 1.00 30.57 N ATOM 688 CA GLY A 44 74.710 9.205 26.201 1.00 30.96 C ATOM 689 C GLY A 44 75.311 9.872 24.982 1.00 31.10 C ATOM 690 O GLY A 44 76.532 9.898 24.827 1.00 31.29 O ATOM 0 H GLY A 44 72.686 9.673 26.472 1.00 30.57 H new ATOM 0 HA2 GLY A 44 74.883 9.835 27.073 1.00 30.96 H new ATOM 0 HA3 GLY A 44 75.226 8.262 26.381 1.00 30.96 H new ATOM 694 N ARG A 45 74.459 10.407 24.115 1.00 31.28 N ATOM 695 CA ARG A 45 74.919 11.081 22.915 1.00 31.67 C ATOM 696 C ARG A 45 74.046 12.289 22.619 1.00 31.03 C ATOM 697 O ARG A 45 72.850 12.292 22.918 1.00 30.83 O ATOM 698 CB ARG A 45 74.910 10.118 21.722 1.00 32.25 C ATOM 699 CG ARG A 45 75.487 10.717 20.448 1.00 34.74 C ATOM 700 CD ARG A 45 75.455 9.725 19.297 1.00 39.98 C ATOM 701 NE ARG A 45 76.046 10.277 18.077 1.00 41.27 N ATOM 702 CZ ARG A 45 76.235 9.578 16.956 1.00 43.21 C ATOM 703 NH1 ARG A 45 75.879 8.298 16.889 1.00 42.18 N ATOM 704 NH2 ARG A 45 76.783 10.162 15.896 1.00 44.74 N ATOM 0 H ARG A 45 73.445 10.385 24.224 1.00 31.28 H new ATOM 0 HA ARG A 45 75.941 11.420 23.081 1.00 31.67 H new ATOM 0 HB2 ARG A 45 75.478 9.225 21.983 1.00 32.25 H new ATOM 0 HB3 ARG A 45 73.885 9.799 21.531 1.00 32.25 H new ATOM 0 HG2 ARG A 45 74.922 11.608 20.176 1.00 34.74 H new ATOM 0 HG3 ARG A 45 76.514 11.034 20.627 1.00 34.74 H new ATOM 0 HD2 ARG A 45 75.993 8.821 19.583 1.00 39.98 H new ATOM 0 HD3 ARG A 45 74.424 9.433 19.099 1.00 39.98 H new ATOM 0 HE ARG A 45 76.331 11.256 18.084 1.00 41.27 H new ATOM 0 HH11 ARG A 45 75.458 7.843 17.699 1.00 42.18 H new ATOM 0 HH12 ARG A 45 76.027 7.772 16.028 1.00 42.18 H new ATOM 0 HH21 ARG A 45 77.059 11.143 15.940 1.00 44.74 H new ATOM 0 HH22 ARG A 45 76.928 9.629 15.038 1.00 44.74 H new ATOM 718 N ARG A 46 74.645 13.308 22.017 1.00 30.68 N ATOM 719 CA ARG A 46 73.917 14.518 21.674 1.00 30.55 C ATOM 720 C ARG A 46 73.400 14.389 20.248 1.00 30.11 C ATOM 721 O ARG A 46 74.187 14.299 19.302 1.00 30.10 O ATOM 722 CB ARG A 46 74.810 15.752 21.816 1.00 30.46 C ATOM 723 CG ARG A 46 74.060 17.067 21.671 1.00 32.25 C ATOM 724 CD ARG A 46 74.970 18.261 21.909 0.01 32.39 C ATOM 725 NE ARG A 46 76.025 18.363 20.901 0.01 32.82 N ATOM 726 CZ ARG A 46 77.100 19.148 21.020 0.01 33.01 C ATOM 727 NH1 ARG A 46 77.266 19.906 22.102 0.01 33.12 N ATOM 728 NH2 ARG A 46 78.010 19.175 20.053 0.01 33.06 N ATOM 0 H ARG A 46 75.631 13.319 21.757 1.00 30.68 H new ATOM 0 HA ARG A 46 73.078 14.643 22.359 1.00 30.55 H new ATOM 0 HB2 ARG A 46 75.297 15.727 22.791 1.00 30.46 H new ATOM 0 HB3 ARG A 46 75.598 15.708 21.064 1.00 30.46 H new ATOM 0 HG2 ARG A 46 73.628 17.132 20.672 1.00 32.25 H new ATOM 0 HG3 ARG A 46 73.232 17.094 22.379 1.00 32.25 H new ATOM 0 HD2 ARG A 46 74.376 19.175 21.904 0.01 32.39 H new ATOM 0 HD3 ARG A 46 75.422 18.180 22.898 0.01 32.39 H new ATOM 0 HE ARG A 46 75.935 17.800 20.055 0.01 32.82 H new ATOM 0 HH11 ARG A 46 76.570 19.890 22.847 0.01 33.12 H new ATOM 0 HH12 ARG A 46 78.089 20.502 22.185 0.01 33.12 H new ATOM 0 HH21 ARG A 46 77.888 18.597 19.221 0.01 33.06 H new ATOM 0 HH22 ARG A 46 78.831 19.774 20.142 0.01 33.06 H new ATOM 742 N GLY A 47 72.080 14.379 20.093 1.00 29.77 N ATOM 743 CA GLY A 47 71.506 14.220 18.772 1.00 29.07 C ATOM 744 C GLY A 47 70.283 15.071 18.527 1.00 29.23 C ATOM 745 O GLY A 47 69.550 15.416 19.455 1.00 29.34 O ATOM 0 H GLY A 47 71.404 14.477 20.851 1.00 29.77 H new ATOM 0 HA2 GLY A 47 72.262 14.466 18.027 1.00 29.07 H new ATOM 0 HA3 GLY A 47 71.242 13.173 18.625 1.00 29.07 H new ATOM 749 N MET A 48 70.078 15.417 17.261 1.00 29.43 N ATOM 750 CA MET A 48 68.941 16.223 16.854 1.00 29.55 C ATOM 751 C MET A 48 67.697 15.350 16.710 1.00 29.74 C ATOM 752 O MET A 48 67.754 14.263 16.135 1.00 29.84 O ATOM 753 CB MET A 48 69.253 16.942 15.536 1.00 29.04 C ATOM 754 CG MET A 48 68.154 17.876 15.061 1.00 30.75 C ATOM 755 SD MET A 48 68.638 18.822 13.602 1.00 35.17 S ATOM 756 CE MET A 48 68.787 17.523 12.378 1.00 30.25 C ATOM 0 H MET A 48 70.694 15.147 16.494 1.00 29.43 H new ATOM 0 HA MET A 48 68.746 16.972 17.621 1.00 29.55 H new ATOM 0 HB2 MET A 48 70.173 17.514 15.656 1.00 29.04 H new ATOM 0 HB3 MET A 48 69.439 16.196 14.763 1.00 29.04 H new ATOM 0 HG2 MET A 48 67.260 17.295 14.834 1.00 30.75 H new ATOM 0 HG3 MET A 48 67.892 18.563 15.866 1.00 30.75 H new ATOM 0 HE1 MET A 48 69.029 17.961 11.410 1.00 30.25 H new ATOM 0 HE2 MET A 48 69.579 16.834 12.673 1.00 30.25 H new ATOM 0 HE3 MET A 48 67.844 16.982 12.305 1.00 30.25 H new ATOM 766 N PHE A 49 66.577 15.837 17.231 1.00 29.54 N ATOM 767 CA PHE A 49 65.321 15.093 17.178 1.00 29.48 C ATOM 768 C PHE A 49 64.144 16.016 16.872 1.00 29.94 C ATOM 769 O PHE A 49 64.222 17.226 17.092 1.00 30.17 O ATOM 770 CB PHE A 49 65.085 14.350 18.498 1.00 28.94 C ATOM 771 CG PHE A 49 65.481 15.141 19.713 1.00 27.57 C ATOM 772 CD1 PHE A 49 64.626 16.087 20.253 1.00 25.70 C ATOM 773 CD2 PHE A 49 66.716 14.943 20.307 1.00 27.12 C ATOM 774 CE1 PHE A 49 64.997 16.819 21.365 1.00 25.62 C ATOM 775 CE2 PHE A 49 67.091 15.672 21.416 1.00 27.89 C ATOM 776 CZ PHE A 49 66.232 16.611 21.946 1.00 26.82 C ATOM 0 H PHE A 49 66.511 16.743 17.695 1.00 29.54 H new ATOM 0 HA PHE A 49 65.396 14.364 16.371 1.00 29.48 H new ATOM 0 HB2 PHE A 49 64.030 14.087 18.574 1.00 28.94 H new ATOM 0 HB3 PHE A 49 65.646 13.415 18.485 1.00 28.94 H new ATOM 0 HD1 PHE A 49 63.660 16.254 19.801 1.00 25.70 H new ATOM 0 HD2 PHE A 49 67.394 14.209 19.897 1.00 27.12 H new ATOM 0 HE1 PHE A 49 64.322 17.553 21.779 1.00 25.62 H new ATOM 0 HE2 PHE A 49 68.057 15.507 21.869 1.00 27.89 H new ATOM 0 HZ PHE A 49 66.525 17.183 22.814 1.00 26.82 H new ATOM 786 N PRO A 50 63.033 15.451 16.363 1.00 30.08 N ATOM 787 CA PRO A 50 61.838 16.227 16.016 1.00 29.95 C ATOM 788 C PRO A 50 61.260 16.985 17.209 1.00 29.91 C ATOM 789 O PRO A 50 61.233 16.477 18.332 1.00 30.19 O ATOM 790 CB PRO A 50 60.844 15.172 15.519 1.00 29.61 C ATOM 791 CG PRO A 50 61.678 13.992 15.153 1.00 29.35 C ATOM 792 CD PRO A 50 62.855 14.014 16.084 1.00 30.28 C ATOM 0 HA PRO A 50 62.064 16.996 15.277 1.00 29.95 H new ATOM 0 HB2 PRO A 50 60.120 14.918 16.293 1.00 29.61 H new ATOM 0 HB3 PRO A 50 60.279 15.536 14.661 1.00 29.61 H new ATOM 0 HG2 PRO A 50 61.113 13.066 15.260 1.00 29.35 H new ATOM 0 HG3 PRO A 50 62.001 14.050 14.114 1.00 29.35 H new ATOM 0 HD2 PRO A 50 62.660 13.448 16.995 1.00 30.28 H new ATOM 0 HD3 PRO A 50 63.742 13.580 15.623 1.00 30.28 H new ATOM 800 N ASP A 51 60.794 18.207 16.947 1.00 30.10 N ATOM 801 CA ASP A 51 60.214 19.057 17.985 1.00 30.42 C ATOM 802 C ASP A 51 58.882 18.498 18.491 1.00 30.47 C ATOM 803 O ASP A 51 58.579 18.592 19.681 1.00 31.18 O ATOM 804 CB ASP A 51 60.016 20.480 17.451 1.00 29.76 C ATOM 805 CG ASP A 51 59.572 21.451 18.530 1.00 30.04 C ATOM 806 OD1 ASP A 51 60.449 22.007 19.225 1.00 32.21 O ATOM 807 OD2 ASP A 51 58.350 21.654 18.680 1.00 29.54 O ATOM 0 H ASP A 51 60.808 18.631 16.019 1.00 30.10 H new ATOM 0 HA ASP A 51 60.909 19.078 18.824 1.00 30.42 H new ATOM 0 HB2 ASP A 51 60.949 20.832 17.012 1.00 29.76 H new ATOM 0 HB3 ASP A 51 59.274 20.465 16.653 1.00 29.76 H new ATOM 812 N ASN A 52 58.091 17.915 17.585 1.00 30.26 N ATOM 813 CA ASN A 52 56.791 17.345 17.951 1.00 30.67 C ATOM 814 C ASN A 52 56.916 15.922 18.517 1.00 30.83 C ATOM 815 O ASN A 52 55.905 15.275 18.800 1.00 31.21 O ATOM 816 CB ASN A 52 55.846 17.355 16.744 1.00 30.81 C ATOM 817 CG ASN A 52 56.280 16.404 15.644 1.00 32.54 C ATOM 818 OD1 ASN A 52 57.105 16.750 14.798 1.00 34.54 O ATOM 819 ND2 ASN A 52 55.721 15.198 15.644 1.00 33.43 N ATOM 0 H ASN A 52 58.327 17.826 16.597 1.00 30.26 H new ATOM 0 HA ASN A 52 56.376 17.972 18.740 1.00 30.67 H new ATOM 0 HB2 ASN A 52 54.842 17.087 17.073 1.00 30.81 H new ATOM 0 HB3 ASN A 52 55.790 18.366 16.341 1.00 30.81 H new ATOM 0 HD21 ASN A 52 55.972 14.520 14.925 1.00 33.43 H new ATOM 0 HD22 ASN A 52 55.041 14.951 16.363 1.00 33.43 H new ATOM 826 N PHE A 53 58.151 15.440 18.688 1.00 30.61 N ATOM 827 CA PHE A 53 58.391 14.104 19.229 1.00 30.73 C ATOM 828 C PHE A 53 58.782 14.187 20.701 1.00 30.75 C ATOM 829 O PHE A 53 58.664 13.208 21.437 1.00 30.72 O ATOM 830 CB PHE A 53 59.479 13.385 18.431 1.00 30.73 C ATOM 831 CG PHE A 53 58.960 12.658 17.221 1.00 31.62 C ATOM 832 CD1 PHE A 53 58.365 13.350 16.178 1.00 33.29 C ATOM 833 CD2 PHE A 53 59.067 11.280 17.129 1.00 30.86 C ATOM 834 CE1 PHE A 53 57.891 12.682 15.066 1.00 34.04 C ATOM 835 CE2 PHE A 53 58.594 10.607 16.020 1.00 31.53 C ATOM 836 CZ PHE A 53 58.004 11.308 14.988 1.00 31.02 C ATOM 0 H PHE A 53 58.999 15.958 18.458 1.00 30.61 H new ATOM 0 HA PHE A 53 57.467 13.531 19.145 1.00 30.73 H new ATOM 0 HB2 PHE A 53 60.226 14.113 18.114 1.00 30.73 H new ATOM 0 HB3 PHE A 53 59.985 12.673 19.083 1.00 30.73 H new ATOM 0 HD1 PHE A 53 58.271 14.424 16.235 1.00 33.29 H new ATOM 0 HD2 PHE A 53 59.526 10.725 17.934 1.00 30.86 H new ATOM 0 HE1 PHE A 53 57.433 13.234 14.259 1.00 34.04 H new ATOM 0 HE2 PHE A 53 58.686 9.533 15.960 1.00 31.53 H new ATOM 0 HZ PHE A 53 57.631 10.783 14.121 1.00 31.02 H new ATOM 846 N VAL A 54 59.271 15.358 21.116 1.00 30.38 N ATOM 847 CA VAL A 54 59.650 15.594 22.500 1.00 29.81 C ATOM 848 C VAL A 54 58.836 16.750 23.074 1.00 29.88 C ATOM 849 O VAL A 54 58.569 17.735 22.383 1.00 30.21 O ATOM 850 CB VAL A 54 61.157 15.903 22.642 1.00 30.12 C ATOM 851 CG1 VAL A 54 61.992 14.684 22.281 1.00 31.54 C ATOM 852 CG2 VAL A 54 61.548 17.098 21.782 1.00 29.97 C ATOM 0 H VAL A 54 59.412 16.160 20.502 1.00 30.38 H new ATOM 0 HA VAL A 54 59.441 14.680 23.056 1.00 29.81 H new ATOM 0 HB VAL A 54 61.355 16.156 23.684 1.00 30.12 H new ATOM 0 HG11 VAL A 54 63.050 14.923 22.388 1.00 31.54 H new ATOM 0 HG12 VAL A 54 61.738 13.859 22.946 1.00 31.54 H new ATOM 0 HG13 VAL A 54 61.787 14.395 21.250 1.00 31.54 H new ATOM 0 HG21 VAL A 54 62.613 17.297 21.898 1.00 29.97 H new ATOM 0 HG22 VAL A 54 61.331 16.880 20.736 1.00 29.97 H new ATOM 0 HG23 VAL A 54 60.979 17.973 22.095 1.00 29.97 H new ATOM 862 N LYS A 55 58.442 16.625 24.336 1.00 29.74 N ATOM 863 CA LYS A 55 57.648 17.654 24.996 1.00 29.89 C ATOM 864 C LYS A 55 58.421 18.268 26.159 1.00 30.09 C ATOM 865 O LYS A 55 58.948 17.550 27.009 1.00 30.59 O ATOM 866 CB LYS A 55 56.327 17.058 25.493 1.00 29.70 C ATOM 867 CG LYS A 55 55.396 18.073 26.135 1.00 27.87 C ATOM 868 CD LYS A 55 54.092 17.430 26.579 1.00 28.45 C ATOM 869 CE LYS A 55 53.161 18.440 27.230 1.00 29.83 C ATOM 870 NZ LYS A 55 51.865 17.825 27.633 1.00 29.81 N ATOM 0 H LYS A 55 58.660 15.820 24.923 1.00 29.74 H new ATOM 0 HA LYS A 55 57.433 18.442 24.274 1.00 29.89 H new ATOM 0 HB2 LYS A 55 55.813 16.588 24.654 1.00 29.70 H new ATOM 0 HB3 LYS A 55 56.544 16.271 26.215 1.00 29.70 H new ATOM 0 HG2 LYS A 55 55.889 18.529 26.994 1.00 27.87 H new ATOM 0 HG3 LYS A 55 55.185 18.874 25.427 1.00 27.87 H new ATOM 0 HD2 LYS A 55 53.597 16.980 25.719 1.00 28.45 H new ATOM 0 HD3 LYS A 55 54.304 16.624 27.282 1.00 28.45 H new ATOM 0 HE2 LYS A 55 53.647 18.869 28.106 1.00 29.83 H new ATOM 0 HE3 LYS A 55 52.973 19.260 26.537 1.00 29.83 H new ATOM 0 HZ1 LYS A 55 51.260 18.547 28.073 1.00 29.81 H new ATOM 0 HZ2 LYS A 55 51.388 17.438 26.793 1.00 29.81 H new ATOM 0 HZ3 LYS A 55 52.041 17.059 28.315 1.00 29.81 H new ATOM 884 N GLU A 56 58.492 19.598 26.187 1.00 29.95 N ATOM 885 CA GLU A 56 59.197 20.304 27.253 1.00 29.73 C ATOM 886 C GLU A 56 58.649 19.880 28.616 1.00 29.58 C ATOM 887 O GLU A 56 57.436 19.897 28.834 1.00 30.02 O ATOM 888 CB GLU A 56 59.057 21.820 27.067 1.00 29.71 C ATOM 889 CG GLU A 56 60.092 22.640 27.826 1.00 28.77 C ATOM 890 CD GLU A 56 59.769 22.783 29.300 1.00 31.39 C ATOM 891 OE1 GLU A 56 58.803 23.503 29.629 1.00 32.19 O ATOM 892 OE2 GLU A 56 60.485 22.180 30.126 1.00 31.09 O ATOM 0 H GLU A 56 58.071 20.206 25.485 1.00 29.95 H new ATOM 0 HA GLU A 56 60.255 20.046 27.208 1.00 29.73 H new ATOM 0 HB2 GLU A 56 59.133 22.053 26.005 1.00 29.71 H new ATOM 0 HB3 GLU A 56 58.061 22.124 27.390 1.00 29.71 H new ATOM 0 HG2 GLU A 56 61.070 22.171 27.718 1.00 28.77 H new ATOM 0 HG3 GLU A 56 60.163 23.631 27.377 1.00 28.77 H new ATOM 899 N ILE A 57 59.543 19.503 29.529 1.00 29.23 N ATOM 900 CA ILE A 57 59.135 19.059 30.859 1.00 29.24 C ATOM 901 C ILE A 57 59.010 20.248 31.813 1.00 29.93 C ATOM 902 O ILE A 57 59.924 20.539 32.590 1.00 30.54 O ATOM 903 CB ILE A 57 60.125 18.022 31.442 1.00 28.57 C ATOM 904 CG1 ILE A 57 60.343 16.875 30.449 1.00 28.31 C ATOM 905 CG2 ILE A 57 59.611 17.486 32.774 1.00 25.77 C ATOM 906 CD1 ILE A 57 61.413 15.893 30.876 1.00 28.60 C ATOM 0 H ILE A 57 60.551 19.496 29.372 1.00 29.23 H new ATOM 0 HA ILE A 57 58.161 18.581 30.755 1.00 29.24 H new ATOM 0 HB ILE A 57 61.082 18.515 31.615 1.00 28.57 H new ATOM 0 HG12 ILE A 57 59.403 16.339 30.315 1.00 28.31 H new ATOM 0 HG13 ILE A 57 60.612 17.293 29.479 1.00 28.31 H new ATOM 0 HG21 ILE A 57 60.319 16.758 33.171 1.00 25.77 H new ATOM 0 HG22 ILE A 57 59.503 18.309 33.480 1.00 25.77 H new ATOM 0 HG23 ILE A 57 58.643 17.007 32.624 1.00 25.77 H new ATOM 0 HD11 ILE A 57 61.510 15.110 30.123 1.00 28.60 H new ATOM 0 HD12 ILE A 57 62.364 16.415 30.982 1.00 28.60 H new ATOM 0 HD13 ILE A 57 61.136 15.446 31.831 1.00 28.60 H new ATOM 918 N LYS A 58 57.876 20.943 31.731 1.00 30.45 N ATOM 919 CA LYS A 58 57.623 22.105 32.577 1.00 30.98 C ATOM 920 C LYS A 58 57.082 21.682 33.942 1.00 30.73 C ATOM 921 O LYS A 58 57.845 21.764 34.928 1.00 30.38 O ATOM 922 CB LYS A 58 56.645 23.063 31.887 1.00 31.05 C ATOM 923 CG LYS A 58 56.750 24.498 32.378 1.00 32.79 C ATOM 924 CD LYS A 58 55.838 25.426 31.590 1.00 35.98 C ATOM 925 CE LYS A 58 56.104 26.888 31.922 1.00 37.92 C ATOM 926 NZ LYS A 58 55.829 27.198 33.355 1.00 40.63 N ATOM 927 OXT LYS A 58 55.906 21.264 34.016 1.00 30.38 O ATOM 0 H LYS A 58 57.118 20.720 31.086 1.00 30.45 H new ATOM 0 HA LYS A 58 58.569 22.623 32.735 1.00 30.98 H new ATOM 0 HB2 LYS A 58 56.826 23.041 30.812 1.00 31.05 H new ATOM 0 HB3 LYS A 58 55.627 22.707 32.046 1.00 31.05 H new ATOM 0 HG2 LYS A 58 56.489 24.542 33.435 1.00 32.79 H new ATOM 0 HG3 LYS A 58 57.782 24.839 32.290 1.00 32.79 H new ATOM 0 HD2 LYS A 58 55.986 25.262 30.523 1.00 35.98 H new ATOM 0 HD3 LYS A 58 54.797 25.186 31.808 1.00 35.98 H new ATOM 0 HE2 LYS A 58 57.142 27.128 31.693 1.00 37.92 H new ATOM 0 HE3 LYS A 58 55.483 27.522 31.289 1.00 37.92 H new ATOM 0 HZ1 LYS A 58 55.941 28.219 33.517 1.00 40.63 H new ATOM 0 HZ2 LYS A 58 54.856 26.915 33.591 1.00 40.63 H new ATOM 0 HZ3 LYS A 58 56.497 26.676 33.957 1.00 40.63 H new TER 941 LYS A 58