USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=7 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 -44:sc= 0.628 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 122:sc= 0.471 USER MOD Single : A 14 HIS : no HD1:sc= -0.0297 X(o=-0.03,f=-0.011) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.73 USER MOD Single : A 28 ASN : amide:sc= -0.0376 X(o=-0.038,f=-0.46) USER MOD Single : A 30 LYS NZ :NH3+ -168:sc=-0.00998 (180deg=-0.165) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.638 K(o=-0.64,f=-2.3) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -170:sc=-0.00363 (180deg=-0.1) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 66.682 23.453 28.839 1.00 28.47 N ATOM 2 CA VAL A 2 65.517 22.755 29.447 1.00 27.63 C ATOM 3 C VAL A 2 65.423 21.312 28.956 1.00 27.22 C ATOM 4 O VAL A 2 65.758 21.014 27.809 1.00 27.29 O ATOM 5 CB VAL A 2 64.192 23.495 29.140 1.00 29.44 C ATOM 6 CG1 VAL A 2 63.906 23.507 27.645 1.00 30.68 C ATOM 7 CG2 VAL A 2 63.035 22.869 29.908 1.00 28.06 C ATOM 0 HA VAL A 2 65.673 22.753 30.526 1.00 27.63 H new ATOM 0 HB VAL A 2 64.300 24.529 29.468 1.00 29.44 H new ATOM 0 HG11 VAL A 2 62.970 24.033 27.458 1.00 30.68 H new ATOM 0 HG12 VAL A 2 64.718 24.014 27.123 1.00 30.68 H new ATOM 0 HG13 VAL A 2 63.825 22.482 27.282 1.00 30.68 H new ATOM 0 HG21 VAL A 2 62.114 23.404 29.678 1.00 28.06 H new ATOM 0 HG22 VAL A 2 62.929 21.823 29.618 1.00 28.06 H new ATOM 0 HG23 VAL A 2 63.233 22.931 30.978 1.00 28.06 H new ATOM 19 N ASP A 3 64.952 20.422 29.829 1.00 25.50 N ATOM 20 CA ASP A 3 64.823 19.008 29.490 1.00 24.73 C ATOM 21 C ASP A 3 63.520 18.736 28.747 1.00 23.55 C ATOM 22 O ASP A 3 62.563 19.506 28.845 1.00 25.41 O ATOM 23 CB ASP A 3 64.890 18.146 30.754 1.00 24.12 C ATOM 24 CG ASP A 3 66.241 18.225 31.440 1.00 23.15 C ATOM 25 OD1 ASP A 3 67.124 17.407 31.107 1.00 27.21 O ATOM 26 OD2 ASP A 3 66.415 19.104 32.310 1.00 23.64 O ATOM 0 H ASP A 3 64.654 20.657 30.776 1.00 25.50 H new ATOM 0 HA ASP A 3 65.654 18.747 28.834 1.00 24.73 H new ATOM 0 HB2 ASP A 3 64.114 18.465 31.449 1.00 24.12 H new ATOM 0 HB3 ASP A 3 64.678 17.109 30.494 1.00 24.12 H new ATOM 31 N TYR A 4 63.498 17.636 27.999 1.00 22.85 N ATOM 32 CA TYR A 4 62.319 17.239 27.234 1.00 20.38 C ATOM 33 C TYR A 4 62.028 15.753 27.419 1.00 19.62 C ATOM 34 O TYR A 4 62.936 14.960 27.671 1.00 19.45 O ATOM 35 CB TYR A 4 62.527 17.530 25.744 1.00 20.51 C ATOM 36 CG TYR A 4 62.089 18.910 25.299 1.00 22.09 C ATOM 37 CD1 TYR A 4 62.708 20.056 25.784 1.00 20.17 C ATOM 38 CD2 TYR A 4 61.061 19.062 24.379 1.00 21.07 C ATOM 39 CE1 TYR A 4 62.312 21.312 25.365 1.00 24.84 C ATOM 40 CE2 TYR A 4 60.661 20.313 23.953 1.00 21.00 C ATOM 41 CZ TYR A 4 61.290 21.435 24.449 1.00 23.27 C ATOM 42 OH TYR A 4 60.897 22.685 24.026 1.00 23.97 O ATOM 0 H TYR A 4 64.290 16.999 27.906 1.00 22.85 H new ATOM 0 HA TYR A 4 61.471 17.816 27.603 1.00 20.38 H new ATOM 0 HB2 TYR A 4 63.584 17.406 25.508 1.00 20.51 H new ATOM 0 HB3 TYR A 4 61.981 16.786 25.163 1.00 20.51 H new ATOM 0 HD1 TYR A 4 63.511 19.963 26.500 1.00 20.17 H new ATOM 0 HD2 TYR A 4 60.565 18.186 23.989 1.00 21.07 H new ATOM 0 HE1 TYR A 4 62.801 22.193 25.754 1.00 24.84 H new ATOM 0 HE2 TYR A 4 59.860 20.412 23.235 1.00 21.00 H new ATOM 0 HH TYR A 4 60.829 23.285 24.798 1.00 23.97 H new ATOM 52 N ILE A 5 60.757 15.385 27.293 1.00 19.64 N ATOM 53 CA ILE A 5 60.346 13.991 27.416 1.00 17.42 C ATOM 54 C ILE A 5 59.829 13.496 26.073 1.00 15.48 C ATOM 55 O ILE A 5 59.041 14.175 25.416 1.00 13.64 O ATOM 56 CB ILE A 5 59.262 13.782 28.503 1.00 17.05 C ATOM 57 CG1 ILE A 5 58.887 12.297 28.600 1.00 18.26 C ATOM 58 CG2 ILE A 5 58.030 14.634 28.221 1.00 17.24 C ATOM 59 CD1 ILE A 5 57.902 11.988 29.708 1.00 24.60 C ATOM 0 H ILE A 5 59.993 16.034 27.105 1.00 19.64 H new ATOM 0 HA ILE A 5 61.221 13.418 27.722 1.00 17.42 H new ATOM 0 HB ILE A 5 59.673 14.101 29.461 1.00 17.05 H new ATOM 0 HG12 ILE A 5 58.462 11.976 27.649 1.00 18.26 H new ATOM 0 HG13 ILE A 5 59.793 11.712 28.758 1.00 18.26 H new ATOM 0 HG21 ILE A 5 57.286 14.467 29.000 1.00 17.24 H new ATOM 0 HG22 ILE A 5 58.311 15.687 28.208 1.00 17.24 H new ATOM 0 HG23 ILE A 5 57.611 14.358 27.253 1.00 17.24 H new ATOM 0 HD11 ILE A 5 57.685 10.920 29.714 1.00 24.60 H new ATOM 0 HD12 ILE A 5 58.331 12.277 30.667 1.00 24.60 H new ATOM 0 HD13 ILE A 5 56.980 12.545 29.541 1.00 24.60 H new ATOM 71 N VAL A 6 60.267 12.312 25.669 1.00 14.88 N ATOM 72 CA VAL A 6 59.856 11.754 24.390 1.00 16.39 C ATOM 73 C VAL A 6 58.438 11.203 24.470 1.00 16.73 C ATOM 74 O VAL A 6 58.134 10.361 25.313 1.00 16.60 O ATOM 75 CB VAL A 6 60.811 10.636 23.923 1.00 14.83 C ATOM 76 CG1 VAL A 6 60.441 10.165 22.524 1.00 13.66 C ATOM 77 CG2 VAL A 6 62.258 11.106 23.968 1.00 14.68 C ATOM 0 H VAL A 6 60.903 11.722 26.205 1.00 14.88 H new ATOM 0 HA VAL A 6 59.890 12.566 23.663 1.00 16.39 H new ATOM 0 HB VAL A 6 60.708 9.793 24.606 1.00 14.83 H new ATOM 0 HG11 VAL A 6 61.126 9.376 22.212 1.00 13.66 H new ATOM 0 HG12 VAL A 6 59.421 9.779 22.528 1.00 13.66 H new ATOM 0 HG13 VAL A 6 60.510 11.001 21.828 1.00 13.66 H new ATOM 0 HG21 VAL A 6 62.913 10.301 23.634 1.00 14.68 H new ATOM 0 HG22 VAL A 6 62.381 11.969 23.313 1.00 14.68 H new ATOM 0 HG23 VAL A 6 62.518 11.386 24.989 1.00 14.68 H new ATOM 87 N GLU A 7 57.572 11.699 23.594 1.00 18.22 N ATOM 88 CA GLU A 7 56.184 11.256 23.548 1.00 19.75 C ATOM 89 C GLU A 7 55.933 10.364 22.330 1.00 19.66 C ATOM 90 O GLU A 7 54.973 9.593 22.307 1.00 19.94 O ATOM 91 CB GLU A 7 55.238 12.461 23.517 1.00 22.09 C ATOM 92 CG GLU A 7 55.490 13.473 24.627 1.00 24.09 C ATOM 93 CD GLU A 7 55.305 12.884 26.013 1.00 26.56 C ATOM 94 OE1 GLU A 7 54.166 12.919 26.526 1.00 30.58 O ATOM 95 OE2 GLU A 7 56.298 12.389 26.585 1.00 25.20 O ATOM 0 H GLU A 7 57.808 12.411 22.903 1.00 18.22 H new ATOM 0 HA GLU A 7 55.988 10.674 24.448 1.00 19.75 H new ATOM 0 HB2 GLU A 7 55.335 12.962 22.554 1.00 22.09 H new ATOM 0 HB3 GLU A 7 54.210 12.105 23.590 1.00 22.09 H new ATOM 0 HG2 GLU A 7 56.504 13.862 24.535 1.00 24.09 H new ATOM 0 HG3 GLU A 7 54.813 14.318 24.503 1.00 24.09 H new ATOM 102 N TYR A 8 56.799 10.478 21.318 1.00 20.46 N ATOM 103 CA TYR A 8 56.677 9.684 20.101 1.00 18.95 C ATOM 104 C TYR A 8 58.025 9.078 19.723 1.00 19.02 C ATOM 105 O TYR A 8 59.067 9.725 19.860 1.00 15.87 O ATOM 106 CB TYR A 8 56.147 10.545 18.951 1.00 21.85 C ATOM 107 CG TYR A 8 54.765 11.108 19.201 1.00 18.43 C ATOM 108 CD1 TYR A 8 53.628 10.369 18.901 1.00 19.22 C ATOM 109 CD2 TYR A 8 54.598 12.378 19.741 1.00 20.37 C ATOM 110 CE1 TYR A 8 52.364 10.878 19.130 1.00 20.17 C ATOM 111 CE2 TYR A 8 53.338 12.894 19.974 1.00 20.58 C ATOM 112 CZ TYR A 8 52.224 12.141 19.667 1.00 21.70 C ATOM 113 OH TYR A 8 50.965 12.649 19.898 1.00 22.64 O ATOM 0 H TYR A 8 57.594 11.117 21.322 1.00 20.46 H new ATOM 0 HA TYR A 8 55.970 8.876 20.288 1.00 18.95 H new ATOM 0 HB2 TYR A 8 56.839 11.369 18.776 1.00 21.85 H new ATOM 0 HB3 TYR A 8 56.127 9.947 18.040 1.00 21.85 H new ATOM 0 HD1 TYR A 8 53.734 9.379 18.481 1.00 19.22 H new ATOM 0 HD2 TYR A 8 55.468 12.971 19.982 1.00 20.37 H new ATOM 0 HE1 TYR A 8 51.490 10.290 18.890 1.00 20.17 H new ATOM 0 HE2 TYR A 8 53.226 13.882 20.395 1.00 20.58 H new ATOM 0 HH TYR A 8 51.040 13.549 20.280 1.00 22.64 H new ATOM 123 N ASP A 9 57.999 7.837 19.244 1.00 19.32 N ATOM 124 CA ASP A 9 59.221 7.142 18.850 1.00 19.54 C ATOM 125 C ASP A 9 59.751 7.678 17.522 1.00 19.44 C ATOM 126 O ASP A 9 59.014 7.769 16.539 1.00 22.24 O ATOM 127 CB ASP A 9 58.973 5.634 18.739 1.00 19.40 C ATOM 128 CG ASP A 9 60.214 4.872 18.309 1.00 19.30 C ATOM 129 OD1 ASP A 9 61.025 4.516 19.188 1.00 22.49 O ATOM 130 OD2 ASP A 9 60.377 4.637 17.092 1.00 22.70 O ATOM 0 H ASP A 9 57.146 7.292 19.119 1.00 19.32 H new ATOM 0 HA ASP A 9 59.969 7.322 19.622 1.00 19.54 H new ATOM 0 HB2 ASP A 9 58.632 5.253 19.702 1.00 19.40 H new ATOM 0 HB3 ASP A 9 58.172 5.452 18.022 1.00 19.40 H new ATOM 135 N TYR A 10 61.037 8.023 17.505 1.00 19.80 N ATOM 136 CA TYR A 10 61.687 8.542 16.306 1.00 19.14 C ATOM 137 C TYR A 10 62.945 7.738 16.000 1.00 19.27 C ATOM 138 O TYR A 10 63.761 7.482 16.888 1.00 19.65 O ATOM 139 CB TYR A 10 62.035 10.024 16.479 1.00 18.98 C ATOM 140 CG TYR A 10 62.938 10.571 15.392 1.00 18.21 C ATOM 141 CD1 TYR A 10 62.416 11.045 14.195 1.00 16.11 C ATOM 142 CD2 TYR A 10 64.316 10.610 15.567 1.00 18.09 C ATOM 143 CE1 TYR A 10 63.242 11.542 13.204 1.00 18.99 C ATOM 144 CE2 TYR A 10 65.148 11.104 14.582 1.00 17.82 C ATOM 145 CZ TYR A 10 64.607 11.569 13.402 1.00 19.73 C ATOM 146 OH TYR A 10 65.432 12.064 12.416 1.00 19.88 O ATOM 0 H TYR A 10 61.652 7.951 18.315 1.00 19.80 H new ATOM 0 HA TYR A 10 60.995 8.446 15.469 1.00 19.14 H new ATOM 0 HB2 TYR A 10 61.113 10.604 16.498 1.00 18.98 H new ATOM 0 HB3 TYR A 10 62.520 10.163 17.445 1.00 18.98 H new ATOM 0 HD1 TYR A 10 61.348 11.025 14.036 1.00 16.11 H new ATOM 0 HD2 TYR A 10 64.744 10.247 16.490 1.00 18.09 H new ATOM 0 HE1 TYR A 10 62.821 11.907 12.279 1.00 18.99 H new ATOM 0 HE2 TYR A 10 66.217 11.126 14.735 1.00 17.82 H new ATOM 0 HH TYR A 10 65.954 12.813 12.772 1.00 19.88 H new ATOM 156 N ASP A 11 63.095 7.348 14.738 1.00 20.91 N ATOM 157 CA ASP A 11 64.252 6.573 14.307 1.00 21.74 C ATOM 158 C ASP A 11 65.280 7.473 13.631 1.00 21.42 C ATOM 159 O ASP A 11 65.003 8.074 12.590 1.00 22.26 O ATOM 160 CB ASP A 11 63.818 5.452 13.358 1.00 22.27 C ATOM 161 CG ASP A 11 62.849 4.484 14.014 1.00 23.57 C ATOM 162 OD1 ASP A 11 61.627 4.745 13.970 1.00 26.05 O ATOM 163 OD2 ASP A 11 63.311 3.468 14.573 1.00 24.76 O ATOM 0 H ASP A 11 62.428 7.557 13.995 1.00 20.91 H new ATOM 0 HA ASP A 11 64.714 6.126 15.187 1.00 21.74 H new ATOM 0 HB2 ASP A 11 63.351 5.887 12.475 1.00 22.27 H new ATOM 0 HB3 ASP A 11 64.698 4.907 13.017 1.00 22.27 H new ATOM 168 N ALA A 12 66.463 7.568 14.238 1.00 20.92 N ATOM 169 CA ALA A 12 67.539 8.396 13.702 1.00 22.85 C ATOM 170 C ALA A 12 67.986 7.898 12.335 1.00 25.49 C ATOM 171 O ALA A 12 68.637 6.857 12.222 1.00 26.15 O ATOM 172 CB ALA A 12 68.718 8.425 14.663 1.00 20.93 C ATOM 0 H ALA A 12 66.699 7.080 15.102 1.00 20.92 H new ATOM 0 HA ALA A 12 67.155 9.409 13.585 1.00 22.85 H new ATOM 0 HB1 ALA A 12 69.511 9.047 14.247 1.00 20.93 H new ATOM 0 HB2 ALA A 12 68.397 8.837 15.620 1.00 20.93 H new ATOM 0 HB3 ALA A 12 69.092 7.412 14.811 1.00 20.93 H new ATOM 178 N VAL A 13 67.627 8.648 11.297 1.00 27.78 N ATOM 179 CA VAL A 13 67.996 8.294 9.934 0.50 28.61 C ATOM 180 C VAL A 13 69.454 8.661 9.681 1.00 29.89 C ATOM 181 O VAL A 13 70.187 7.921 9.023 1.00 31.71 O ATOM 182 CB VAL A 13 67.098 9.004 8.894 0.50 28.07 C ATOM 183 CG1 VAL A 13 67.475 8.587 7.479 0.50 26.47 C ATOM 184 CG2 VAL A 13 65.628 8.712 9.166 0.50 28.31 C ATOM 0 H VAL A 13 67.080 9.505 11.376 1.00 27.78 H new ATOM 0 HA VAL A 13 67.857 7.219 9.822 0.50 28.61 H new ATOM 0 HB VAL A 13 67.257 10.078 8.985 0.50 28.07 H new ATOM 0 HG11 VAL A 13 66.830 9.099 6.765 0.50 26.47 H new ATOM 0 HG12 VAL A 13 68.514 8.854 7.286 0.50 26.47 H new ATOM 0 HG13 VAL A 13 67.351 7.509 7.372 0.50 26.47 H new ATOM 0 HG21 VAL A 13 65.013 9.220 8.424 0.50 28.31 H new ATOM 0 HG22 VAL A 13 65.454 7.638 9.108 0.50 28.31 H new ATOM 0 HG23 VAL A 13 65.364 9.069 10.162 0.50 28.31 H new ATOM 194 N HIS A 14 69.863 9.812 10.216 1.00 31.70 N ATOM 195 CA HIS A 14 71.234 10.283 10.067 1.00 32.50 C ATOM 196 C HIS A 14 72.059 9.946 11.308 1.00 32.86 C ATOM 197 O HIS A 14 71.544 9.385 12.278 1.00 33.89 O ATOM 198 CB HIS A 14 71.262 11.794 9.810 1.00 33.28 C ATOM 199 CG HIS A 14 70.503 12.212 8.588 1.00 35.00 C ATOM 200 ND1 HIS A 14 71.119 12.602 7.417 1.00 35.25 N ATOM 201 CD2 HIS A 14 69.171 12.303 8.358 1.00 35.89 C ATOM 202 CE1 HIS A 14 70.200 12.914 6.521 1.00 36.93 C ATOM 203 NE2 HIS A 14 69.010 12.741 7.066 1.00 37.29 N ATOM 0 H HIS A 14 69.261 10.434 10.756 1.00 31.70 H new ATOM 0 HA HIS A 14 71.674 9.775 9.209 1.00 32.50 H new ATOM 0 HB2 HIS A 14 70.848 12.309 10.677 1.00 33.28 H new ATOM 0 HB3 HIS A 14 72.298 12.118 9.711 1.00 33.28 H new ATOM 0 HD2 HIS A 14 68.383 12.074 9.060 1.00 35.89 H new ATOM 0 HE1 HIS A 14 70.390 13.253 5.513 1.00 36.93 H new ATOM 0 HE2 HIS A 14 68.116 12.906 6.603 1.00 37.29 H new ATOM 212 N ASP A 15 73.342 10.296 11.269 1.00 33.94 N ATOM 213 CA ASP A 15 74.245 10.031 12.384 1.00 35.16 C ATOM 214 C ASP A 15 74.106 11.099 13.471 1.00 33.77 C ATOM 215 O ASP A 15 74.361 10.831 14.646 1.00 32.75 O ATOM 216 CB ASP A 15 75.695 9.963 11.891 1.00 38.42 C ATOM 217 CG ASP A 15 76.665 9.563 12.988 1.00 42.27 C ATOM 218 OD1 ASP A 15 76.804 8.349 13.244 1.00 43.52 O ATOM 219 OD2 ASP A 15 77.287 10.464 13.589 1.00 45.18 O ATOM 0 H ASP A 15 73.780 10.765 10.476 1.00 33.94 H new ATOM 0 HA ASP A 15 73.973 9.068 12.817 1.00 35.16 H new ATOM 0 HB2 ASP A 15 75.763 9.247 11.072 1.00 38.42 H new ATOM 0 HB3 ASP A 15 75.985 10.935 11.491 1.00 38.42 H new ATOM 224 N ASP A 16 73.696 12.306 13.072 1.00 32.66 N ATOM 225 CA ASP A 16 73.514 13.408 14.013 1.00 32.09 C ATOM 226 C ASP A 16 72.073 13.460 14.529 1.00 28.99 C ATOM 227 O ASP A 16 71.702 14.388 15.250 1.00 29.32 O ATOM 228 CB ASP A 16 73.886 14.740 13.350 1.00 33.11 C ATOM 229 CG ASP A 16 72.931 15.126 12.232 1.00 34.80 C ATOM 230 OD1 ASP A 16 73.033 14.539 11.134 1.00 35.42 O ATOM 231 OD2 ASP A 16 72.083 16.014 12.457 1.00 35.07 O ATOM 0 H ASP A 16 73.484 12.542 12.103 1.00 32.66 H new ATOM 0 HA ASP A 16 74.174 13.238 14.864 1.00 32.09 H new ATOM 0 HB2 ASP A 16 73.893 15.527 14.104 1.00 33.11 H new ATOM 0 HB3 ASP A 16 74.898 14.672 12.951 1.00 33.11 H new ATOM 236 N GLU A 17 71.263 12.462 14.159 1.00 26.24 N ATOM 237 CA GLU A 17 69.880 12.397 14.600 1.00 25.30 C ATOM 238 C GLU A 17 69.771 11.531 15.846 1.00 24.54 C ATOM 239 O GLU A 17 70.365 10.454 15.921 1.00 25.14 O ATOM 240 CB GLU A 17 68.978 11.849 13.490 1.00 23.95 C ATOM 241 CG GLU A 17 68.847 12.784 12.297 1.00 20.42 C ATOM 242 CD GLU A 17 68.414 14.183 12.693 1.00 21.71 C ATOM 243 OE1 GLU A 17 67.227 14.363 13.032 1.00 20.15 O ATOM 244 OE2 GLU A 17 69.264 15.097 12.665 1.00 21.61 O ATOM 0 H GLU A 17 71.549 11.692 13.555 1.00 26.24 H new ATOM 0 HA GLU A 17 69.547 13.407 14.839 1.00 25.30 H new ATOM 0 HB2 GLU A 17 69.374 10.892 13.150 1.00 23.95 H new ATOM 0 HB3 GLU A 17 67.987 11.656 13.900 1.00 23.95 H new ATOM 0 HG2 GLU A 17 69.803 12.838 11.776 1.00 20.42 H new ATOM 0 HG3 GLU A 17 68.124 12.370 11.594 1.00 20.42 H new ATOM 251 N LEU A 18 69.014 12.012 16.822 1.00 23.56 N ATOM 252 CA LEU A 18 68.830 11.293 18.072 1.00 20.54 C ATOM 253 C LEU A 18 67.637 10.353 17.985 1.00 19.54 C ATOM 254 O LEU A 18 66.527 10.775 17.658 1.00 17.41 O ATOM 255 CB LEU A 18 68.641 12.278 19.228 1.00 21.20 C ATOM 256 CG LEU A 18 69.608 12.100 20.400 1.00 20.22 C ATOM 257 CD1 LEU A 18 69.313 13.121 21.488 1.00 19.20 C ATOM 258 CD2 LEU A 18 69.525 10.684 20.953 1.00 19.15 C ATOM 0 H LEU A 18 68.516 12.901 16.770 1.00 23.56 H new ATOM 0 HA LEU A 18 69.724 10.697 18.257 1.00 20.54 H new ATOM 0 HB2 LEU A 18 68.747 13.292 18.841 1.00 21.20 H new ATOM 0 HB3 LEU A 18 67.621 12.184 19.602 1.00 21.20 H new ATOM 0 HG LEU A 18 70.624 12.264 20.040 1.00 20.22 H new ATOM 0 HD11 LEU A 18 70.009 12.982 22.315 1.00 19.20 H new ATOM 0 HD12 LEU A 18 69.426 14.127 21.083 1.00 19.20 H new ATOM 0 HD13 LEU A 18 68.292 12.987 21.846 1.00 19.20 H new ATOM 0 HD21 LEU A 18 70.220 10.577 21.786 1.00 19.15 H new ATOM 0 HD22 LEU A 18 68.510 10.488 21.300 1.00 19.15 H new ATOM 0 HD23 LEU A 18 69.785 9.972 20.170 1.00 19.15 H new ATOM 270 N THR A 19 67.874 9.079 18.287 1.00 20.31 N ATOM 271 CA THR A 19 66.814 8.079 18.252 1.00 20.55 C ATOM 272 C THR A 19 66.035 8.124 19.561 1.00 19.06 C ATOM 273 O THR A 19 66.340 7.389 20.504 1.00 18.35 O ATOM 274 CB THR A 19 67.368 6.654 18.028 1.00 20.16 C ATOM 275 OG1 THR A 19 68.203 6.627 16.865 1.00 22.84 O ATOM 276 CG2 THR A 19 66.235 5.650 17.860 1.00 22.41 C ATOM 0 H THR A 19 68.788 8.717 18.558 1.00 20.31 H new ATOM 0 HA THR A 19 66.160 8.314 17.412 1.00 20.55 H new ATOM 0 HB THR A 19 67.954 6.379 18.905 1.00 20.16 H new ATOM 0 HG1 THR A 19 68.550 5.720 16.733 1.00 22.84 H new ATOM 0 HG21 THR A 19 66.651 4.655 17.704 1.00 22.41 H new ATOM 0 HG22 THR A 19 65.615 5.648 18.757 1.00 22.41 H new ATOM 0 HG23 THR A 19 65.627 5.928 16.999 1.00 22.41 H new ATOM 284 N ILE A 20 65.038 9.005 19.621 1.00 19.37 N ATOM 285 CA ILE A 20 64.228 9.168 20.824 1.00 16.93 C ATOM 286 C ILE A 20 63.085 8.156 20.883 1.00 15.57 C ATOM 287 O ILE A 20 62.417 7.895 19.882 1.00 15.48 O ATOM 288 CB ILE A 20 63.646 10.599 20.917 1.00 18.29 C ATOM 289 CG1 ILE A 20 62.758 10.908 19.705 1.00 16.61 C ATOM 290 CG2 ILE A 20 64.769 11.622 21.026 1.00 15.26 C ATOM 291 CD1 ILE A 20 62.049 12.242 19.793 1.00 24.60 C ATOM 0 H ILE A 20 64.773 9.617 18.849 1.00 19.37 H new ATOM 0 HA ILE A 20 64.892 8.992 21.670 1.00 16.93 H new ATOM 0 HB ILE A 20 63.030 10.658 21.814 1.00 18.29 H new ATOM 0 HG12 ILE A 20 63.371 10.891 18.804 1.00 16.61 H new ATOM 0 HG13 ILE A 20 62.014 10.118 19.600 1.00 16.61 H new ATOM 0 HG21 ILE A 20 64.344 12.624 21.091 1.00 15.26 H new ATOM 0 HG22 ILE A 20 65.360 11.420 21.920 1.00 15.26 H new ATOM 0 HG23 ILE A 20 65.409 11.555 20.146 1.00 15.26 H new ATOM 0 HD11 ILE A 20 61.441 12.390 18.901 1.00 24.60 H new ATOM 0 HD12 ILE A 20 61.409 12.256 20.675 1.00 24.60 H new ATOM 0 HD13 ILE A 20 62.786 13.042 19.866 1.00 24.60 H new ATOM 303 N ARG A 21 62.877 7.583 22.067 1.00 15.18 N ATOM 304 CA ARG A 21 61.813 6.606 22.283 1.00 17.91 C ATOM 305 C ARG A 21 60.845 7.109 23.349 1.00 18.31 C ATOM 306 O ARG A 21 61.270 7.656 24.368 1.00 16.91 O ATOM 307 CB ARG A 21 62.408 5.258 22.701 1.00 17.50 C ATOM 308 CG ARG A 21 63.196 4.571 21.595 1.00 16.96 C ATOM 309 CD ARG A 21 64.173 3.547 22.152 1.00 15.75 C ATOM 310 NE ARG A 21 65.341 4.178 22.768 1.00 17.98 N ATOM 311 CZ ARG A 21 66.357 3.502 23.311 1.00 18.72 C ATOM 312 NH1 ARG A 21 66.355 2.172 23.324 1.00 15.98 N ATOM 313 NH2 ARG A 21 67.380 4.161 23.843 1.00 18.32 N ATOM 0 H ARG A 21 63.436 7.781 22.897 1.00 15.18 H new ATOM 0 HA ARG A 21 61.267 6.472 21.349 1.00 17.91 H new ATOM 0 HB2 ARG A 21 63.061 5.409 23.561 1.00 17.50 H new ATOM 0 HB3 ARG A 21 61.602 4.599 23.025 1.00 17.50 H new ATOM 0 HG2 ARG A 21 62.507 4.080 20.908 1.00 16.96 H new ATOM 0 HG3 ARG A 21 63.741 5.318 21.019 1.00 16.96 H new ATOM 0 HD2 ARG A 21 63.665 2.927 22.890 1.00 15.75 H new ATOM 0 HD3 ARG A 21 64.500 2.885 21.350 1.00 15.75 H new ATOM 0 HE ARG A 21 65.382 5.197 22.784 1.00 17.98 H new ATOM 0 HH11 ARG A 21 65.573 1.659 22.917 1.00 15.98 H new ATOM 0 HH12 ARG A 21 67.136 1.665 23.741 1.00 15.98 H new ATOM 0 HH21 ARG A 21 67.389 5.181 23.836 1.00 18.32 H new ATOM 0 HH22 ARG A 21 68.157 3.647 24.258 1.00 18.32 H new ATOM 327 N VAL A 22 59.545 6.922 23.107 1.00 17.47 N ATOM 328 CA VAL A 22 58.505 7.372 24.037 1.00 15.85 C ATOM 329 C VAL A 22 58.833 7.009 25.485 1.00 16.32 C ATOM 330 O VAL A 22 59.033 5.838 25.813 1.00 16.12 O ATOM 331 CB VAL A 22 57.123 6.777 23.679 1.00 14.89 C ATOM 332 CG1 VAL A 22 56.038 7.354 24.578 1.00 8.42 C ATOM 333 CG2 VAL A 22 56.789 7.020 22.213 1.00 16.01 C ATOM 0 H VAL A 22 59.186 6.460 22.271 1.00 17.47 H new ATOM 0 HA VAL A 22 58.469 8.457 23.942 1.00 15.85 H new ATOM 0 HB VAL A 22 57.168 5.700 23.843 1.00 14.89 H new ATOM 0 HG11 VAL A 22 55.074 6.922 24.309 1.00 8.42 H new ATOM 0 HG12 VAL A 22 56.264 7.118 25.618 1.00 8.42 H new ATOM 0 HG13 VAL A 22 55.998 8.436 24.452 1.00 8.42 H new ATOM 0 HG21 VAL A 22 55.812 6.592 21.987 1.00 16.01 H new ATOM 0 HG22 VAL A 22 56.770 8.092 22.017 1.00 16.01 H new ATOM 0 HG23 VAL A 22 57.546 6.550 21.585 1.00 16.01 H new ATOM 343 N GLY A 23 58.890 8.030 26.342 1.00 15.88 N ATOM 344 CA GLY A 23 59.177 7.815 27.748 1.00 17.17 C ATOM 345 C GLY A 23 60.569 8.261 28.162 1.00 18.82 C ATOM 346 O GLY A 23 60.824 8.454 29.352 1.00 17.98 O ATOM 0 H GLY A 23 58.741 9.005 26.083 1.00 15.88 H new ATOM 0 HA2 GLY A 23 58.440 8.351 28.346 1.00 17.17 H new ATOM 0 HA3 GLY A 23 59.062 6.755 27.975 1.00 17.17 H new ATOM 350 N GLU A 24 61.473 8.431 27.194 1.00 16.59 N ATOM 351 CA GLU A 24 62.843 8.841 27.493 1.00 15.26 C ATOM 352 C GLU A 24 62.946 10.336 27.775 1.00 15.26 C ATOM 353 O GLU A 24 62.142 11.132 27.288 1.00 13.41 O ATOM 354 CB GLU A 24 63.776 8.478 26.335 1.00 15.08 C ATOM 355 CG GLU A 24 63.896 6.983 26.088 1.00 12.07 C ATOM 356 CD GLU A 24 65.094 6.633 25.227 1.00 14.29 C ATOM 357 OE1 GLU A 24 65.054 6.907 24.008 1.00 14.81 O ATOM 358 OE2 GLU A 24 66.075 6.086 25.772 1.00 15.06 O ATOM 0 H GLU A 24 61.280 8.291 26.202 1.00 16.59 H new ATOM 0 HA GLU A 24 63.145 8.305 28.393 1.00 15.26 H new ATOM 0 HB2 GLU A 24 63.415 8.959 25.426 1.00 15.08 H new ATOM 0 HB3 GLU A 24 64.767 8.884 26.539 1.00 15.08 H new ATOM 0 HG2 GLU A 24 63.975 6.465 27.044 1.00 12.07 H new ATOM 0 HG3 GLU A 24 62.987 6.623 25.605 1.00 12.07 H new ATOM 365 N ILE A 25 63.948 10.701 28.571 1.00 15.57 N ATOM 366 CA ILE A 25 64.198 12.095 28.919 1.00 16.69 C ATOM 367 C ILE A 25 65.509 12.556 28.290 1.00 17.86 C ATOM 368 O ILE A 25 66.556 11.939 28.497 1.00 19.05 O ATOM 369 CB ILE A 25 64.258 12.304 30.449 1.00 17.79 C ATOM 370 CG1 ILE A 25 62.974 11.794 31.115 1.00 17.49 C ATOM 371 CG2 ILE A 25 64.485 13.775 30.779 1.00 15.26 C ATOM 372 CD1 ILE A 25 61.716 12.495 30.641 1.00 24.60 C ATOM 0 H ILE A 25 64.605 10.043 28.990 1.00 15.57 H new ATOM 0 HA ILE A 25 63.368 12.687 28.532 1.00 16.69 H new ATOM 0 HB ILE A 25 65.098 11.730 30.841 1.00 17.79 H new ATOM 0 HG12 ILE A 25 62.877 10.725 30.923 1.00 17.49 H new ATOM 0 HG13 ILE A 25 63.062 11.918 32.194 1.00 17.49 H new ATOM 0 HG21 ILE A 25 64.524 13.903 31.861 1.00 15.26 H new ATOM 0 HG22 ILE A 25 65.426 14.105 30.340 1.00 15.26 H new ATOM 0 HG23 ILE A 25 63.667 14.370 30.373 1.00 15.26 H new ATOM 0 HD11 ILE A 25 60.851 12.079 31.158 1.00 24.60 H new ATOM 0 HD12 ILE A 25 61.790 13.561 30.857 1.00 24.60 H new ATOM 0 HD13 ILE A 25 61.601 12.350 29.567 1.00 24.60 H new ATOM 384 N ILE A 26 65.446 13.643 27.527 1.00 17.28 N ATOM 385 CA ILE A 26 66.628 14.174 26.857 0.50 16.69 C ATOM 386 C ILE A 26 67.248 15.308 27.670 1.00 17.06 C ATOM 387 O ILE A 26 66.576 16.283 28.012 1.00 18.52 O ATOM 388 CB ILE A 26 66.299 14.665 25.434 0.50 17.01 C ATOM 389 CG1 ILE A 26 65.532 13.582 24.668 0.50 16.38 C ATOM 390 CG2 ILE A 26 67.579 15.039 24.697 0.50 14.54 C ATOM 391 CD1 ILE A 26 65.021 14.036 23.319 1.00 24.60 C ATOM 0 H ILE A 26 64.591 14.172 27.358 1.00 17.28 H new ATOM 0 HA ILE A 26 67.349 13.360 26.777 0.50 16.69 H new ATOM 0 HB ILE A 26 65.670 15.552 25.502 0.50 17.01 H new ATOM 0 HG12 ILE A 26 66.183 12.719 24.528 0.50 16.38 H new ATOM 0 HG13 ILE A 26 64.688 13.250 25.273 0.50 16.38 H new ATOM 0 HG21 ILE A 26 67.333 15.384 23.693 0.50 14.54 H new ATOM 0 HG22 ILE A 26 68.092 15.834 25.239 0.50 14.54 H new ATOM 0 HG23 ILE A 26 68.229 14.167 24.632 0.50 14.54 H new ATOM 0 HD11 ILE A 26 64.489 13.216 22.837 1.00 24.60 H new ATOM 0 HD12 ILE A 26 64.344 14.880 23.452 1.00 24.60 H new ATOM 0 HD13 ILE A 26 65.861 14.340 22.695 1.00 24.60 H new ATOM 403 N ARG A 27 68.536 15.163 27.978 1.00 18.57 N ATOM 404 CA ARG A 27 69.259 16.148 28.776 1.00 19.72 C ATOM 405 C ARG A 27 69.603 17.404 27.979 1.00 20.30 C ATOM 406 O ARG A 27 70.217 17.330 26.915 1.00 20.29 O ATOM 407 CB ARG A 27 70.540 15.522 29.338 1.00 20.00 C ATOM 408 CG ARG A 27 71.357 16.466 30.206 1.00 20.63 C ATOM 409 CD ARG A 27 72.649 15.813 30.669 1.00 21.55 C ATOM 410 NE ARG A 27 73.453 16.706 31.504 1.00 19.42 N ATOM 411 CZ ARG A 27 74.688 16.423 31.923 1.00 19.92 C ATOM 412 NH1 ARG A 27 75.272 15.276 31.583 1.00 18.94 N ATOM 413 NH2 ARG A 27 75.345 17.292 32.685 1.00 20.17 N ATOM 0 H ARG A 27 69.102 14.367 27.684 1.00 18.57 H new ATOM 0 HA ARG A 27 68.602 16.451 29.591 1.00 19.72 H new ATOM 0 HB2 ARG A 27 70.276 14.642 29.924 1.00 20.00 H new ATOM 0 HB3 ARG A 27 71.159 15.179 28.509 1.00 20.00 H new ATOM 0 HG2 ARG A 27 71.586 17.372 29.645 1.00 20.63 H new ATOM 0 HG3 ARG A 27 70.769 16.767 31.073 1.00 20.63 H new ATOM 0 HD2 ARG A 27 72.416 14.907 31.229 1.00 21.55 H new ATOM 0 HD3 ARG A 27 73.232 15.509 29.800 1.00 21.55 H new ATOM 0 HE ARG A 27 73.045 17.598 31.783 1.00 19.42 H new ATOM 0 HH11 ARG A 27 74.775 14.605 30.997 1.00 18.94 H new ATOM 0 HH12 ARG A 27 76.216 15.069 31.908 1.00 18.94 H new ATOM 0 HH21 ARG A 27 74.905 18.174 32.949 1.00 20.17 H new ATOM 0 HH22 ARG A 27 76.289 17.077 33.006 1.00 20.17 H new ATOM 427 N ASN A 28 69.200 18.558 28.515 1.00 21.66 N ATOM 428 CA ASN A 28 69.474 19.856 27.897 1.00 22.30 C ATOM 429 C ASN A 28 68.992 19.925 26.448 1.00 24.05 C ATOM 430 O ASN A 28 69.797 19.972 25.515 1.00 22.02 O ATOM 431 CB ASN A 28 70.973 20.175 27.971 1.00 22.17 C ATOM 432 CG ASN A 28 71.503 20.182 29.396 1.00 19.53 C ATOM 433 OD1 ASN A 28 70.793 20.546 30.335 1.00 22.18 O ATOM 434 ND2 ASN A 28 72.757 19.775 29.565 1.00 17.78 N ATOM 0 H ASN A 28 68.676 18.619 29.388 1.00 21.66 H new ATOM 0 HA ASN A 28 68.915 20.603 28.460 1.00 22.30 H new ATOM 0 HB2 ASN A 28 71.526 19.440 27.386 1.00 22.17 H new ATOM 0 HB3 ASN A 28 71.156 21.148 27.515 1.00 22.17 H new ATOM 0 HD21 ASN A 28 73.165 19.756 30.499 1.00 17.78 H new ATOM 0 HD22 ASN A 28 73.311 19.482 28.760 1.00 17.78 H new ATOM 441 N VAL A 29 67.674 19.918 26.268 1.00 24.67 N ATOM 442 CA VAL A 29 67.083 20.001 24.937 1.00 24.71 C ATOM 443 C VAL A 29 66.878 21.455 24.524 1.00 26.15 C ATOM 444 O VAL A 29 66.001 22.145 25.049 1.00 24.81 O ATOM 445 CB VAL A 29 65.736 19.255 24.865 1.00 24.09 C ATOM 446 CG1 VAL A 29 65.080 19.445 23.504 1.00 22.48 C ATOM 447 CG2 VAL A 29 65.936 17.781 25.167 1.00 22.75 C ATOM 0 H VAL A 29 66.996 19.856 27.027 1.00 24.67 H new ATOM 0 HA VAL A 29 67.781 19.524 24.249 1.00 24.71 H new ATOM 0 HB VAL A 29 65.069 19.676 25.617 1.00 24.09 H new ATOM 0 HG11 VAL A 29 64.131 18.909 23.479 1.00 22.48 H new ATOM 0 HG12 VAL A 29 64.902 20.506 23.331 1.00 22.48 H new ATOM 0 HG13 VAL A 29 65.737 19.056 22.726 1.00 22.48 H new ATOM 0 HG21 VAL A 29 64.977 17.265 25.113 1.00 22.75 H new ATOM 0 HG22 VAL A 29 66.622 17.350 24.437 1.00 22.75 H new ATOM 0 HG23 VAL A 29 66.353 17.668 26.168 1.00 22.75 H new ATOM 457 N LYS A 30 67.700 21.912 23.584 1.00 28.66 N ATOM 458 CA LYS A 30 67.621 23.282 23.092 1.00 30.94 C ATOM 459 C LYS A 30 67.061 23.312 21.675 1.00 30.52 C ATOM 460 O LYS A 30 67.009 22.284 20.996 1.00 28.63 O ATOM 461 CB LYS A 30 69.004 23.942 23.128 1.00 32.04 C ATOM 462 CG LYS A 30 69.739 23.762 24.452 1.00 36.67 C ATOM 463 CD LYS A 30 68.912 24.250 25.636 1.00 40.00 C ATOM 464 CE LYS A 30 68.695 25.756 25.594 1.00 40.13 C ATOM 465 NZ LYS A 30 69.971 26.511 25.748 1.00 42.51 N ATOM 0 H LYS A 30 68.431 21.351 23.147 1.00 28.66 H new ATOM 0 HA LYS A 30 66.948 23.841 23.742 1.00 30.94 H new ATOM 0 HB2 LYS A 30 69.614 23.528 22.325 1.00 32.04 H new ATOM 0 HB3 LYS A 30 68.893 25.008 22.927 1.00 32.04 H new ATOM 0 HG2 LYS A 30 69.984 22.709 24.590 1.00 36.67 H new ATOM 0 HG3 LYS A 30 70.682 24.307 24.420 1.00 36.67 H new ATOM 0 HD2 LYS A 30 67.947 23.744 25.638 1.00 40.00 H new ATOM 0 HD3 LYS A 30 69.414 23.981 26.565 1.00 40.00 H new ATOM 0 HE2 LYS A 30 68.225 26.028 24.649 1.00 40.13 H new ATOM 0 HE3 LYS A 30 68.005 26.045 26.387 1.00 40.13 H new ATOM 0 HZ1 LYS A 30 69.762 27.516 25.917 1.00 42.51 H new ATOM 0 HZ2 LYS A 30 70.506 26.128 26.554 1.00 42.51 H new ATOM 0 HZ3 LYS A 30 70.537 26.417 24.881 1.00 42.51 H new ATOM 479 N LYS A 31 66.644 24.493 21.232 1.00 31.66 N ATOM 480 CA LYS A 31 66.091 24.650 19.892 1.00 32.46 C ATOM 481 C LYS A 31 67.193 24.993 18.896 1.00 33.31 C ATOM 482 O LYS A 31 68.027 25.864 19.152 1.00 32.74 O ATOM 483 CB LYS A 31 65.006 25.730 19.877 1.00 31.76 C ATOM 484 CG LYS A 31 64.294 25.859 18.538 0.01 32.47 C ATOM 485 CD LYS A 31 63.136 26.843 18.608 0.01 32.64 C ATOM 486 CE LYS A 31 62.008 26.318 19.484 0.01 32.79 C ATOM 487 NZ LYS A 31 60.861 27.267 19.543 0.01 32.84 N ATOM 0 H LYS A 31 66.678 25.353 21.779 1.00 31.66 H new ATOM 0 HA LYS A 31 65.638 23.703 19.598 1.00 32.46 H new ATOM 0 HB2 LYS A 31 64.271 25.506 20.650 1.00 31.76 H new ATOM 0 HB3 LYS A 31 65.456 26.689 20.134 1.00 31.76 H new ATOM 0 HG2 LYS A 31 65.004 26.186 17.779 0.01 32.47 H new ATOM 0 HG3 LYS A 31 63.923 24.882 18.228 0.01 32.47 H new ATOM 0 HD2 LYS A 31 63.490 27.796 19.002 0.01 32.64 H new ATOM 0 HD3 LYS A 31 62.759 27.034 17.603 0.01 32.64 H new ATOM 0 HE2 LYS A 31 61.665 25.358 19.098 0.01 32.79 H new ATOM 0 HE3 LYS A 31 62.384 26.140 20.492 0.01 32.79 H new ATOM 0 HZ1 LYS A 31 60.114 26.872 20.150 0.01 32.84 H new ATOM 0 HZ2 LYS A 31 61.182 28.175 19.936 0.01 32.84 H new ATOM 0 HZ3 LYS A 31 60.485 27.417 18.585 0.01 32.84 H new ATOM 501 N LEU A 32 67.185 24.304 17.758 1.00 34.55 N ATOM 502 CA LEU A 32 68.184 24.523 16.718 1.00 36.08 C ATOM 503 C LEU A 32 67.661 25.482 15.652 1.00 37.71 C ATOM 504 O LEU A 32 66.544 25.995 15.759 1.00 36.52 O ATOM 505 CB LEU A 32 68.575 23.186 16.079 1.00 35.96 C ATOM 506 CG LEU A 32 69.309 22.211 17.004 1.00 33.75 C ATOM 507 CD1 LEU A 32 69.459 20.852 16.338 1.00 31.94 C ATOM 508 CD2 LEU A 32 70.672 22.769 17.391 1.00 31.78 C ATOM 0 H LEU A 32 66.495 23.587 17.533 1.00 34.55 H new ATOM 0 HA LEU A 32 69.065 24.972 17.177 1.00 36.08 H new ATOM 0 HB2 LEU A 32 67.672 22.701 15.709 1.00 35.96 H new ATOM 0 HB3 LEU A 32 69.207 23.386 15.214 1.00 35.96 H new ATOM 0 HG LEU A 32 68.717 22.085 17.911 1.00 33.75 H new ATOM 0 HD11 LEU A 32 69.983 20.173 17.011 1.00 31.94 H new ATOM 0 HD12 LEU A 32 68.473 20.448 16.110 1.00 31.94 H new ATOM 0 HD13 LEU A 32 70.029 20.960 15.415 1.00 31.94 H new ATOM 0 HD21 LEU A 32 71.180 22.064 18.049 1.00 31.78 H new ATOM 0 HD22 LEU A 32 71.270 22.924 16.493 1.00 31.78 H new ATOM 0 HD23 LEU A 32 70.542 23.719 17.909 1.00 31.78 H new ATOM 520 N GLN A 33 68.474 25.722 14.623 1.00 38.97 N ATOM 521 CA GLN A 33 68.087 26.610 13.531 1.00 39.78 C ATOM 522 C GLN A 33 67.205 25.883 12.511 1.00 39.42 C ATOM 523 O GLN A 33 66.774 26.477 11.521 1.00 39.85 O ATOM 524 CB GLN A 33 69.328 27.179 12.837 0.60 40.32 C ATOM 525 CG GLN A 33 70.194 28.041 13.744 0.60 40.38 C ATOM 526 CD GLN A 33 71.368 28.685 13.020 0.60 39.93 C ATOM 527 OE1 GLN A 33 71.945 27.980 12.048 0.60 39.55 O flip ATOM 528 NE2 GLN A 33 71.764 29.805 13.343 0.60 38.18 N flip ATOM 0 H GLN A 33 69.403 25.313 14.524 1.00 38.97 H new ATOM 0 HA GLN A 33 67.511 27.430 13.959 1.00 39.78 H new ATOM 0 HB2 GLN A 33 69.928 26.355 12.452 0.60 40.32 H new ATOM 0 HB3 GLN A 33 69.014 27.772 11.978 0.60 40.32 H new ATOM 0 HG2 GLN A 33 69.577 28.822 14.189 0.60 40.38 H new ATOM 0 HG3 GLN A 33 70.572 27.429 14.563 0.60 40.38 H new ATOM 0 HE21 GLN A 33 71.296 30.315 14.093 0.60 38.18 H new ATOM 0 HE22 GLN A 33 72.560 30.223 12.861 0.60 38.18 H new ATOM 537 N GLU A 34 66.935 24.596 12.759 1.00 38.54 N ATOM 538 CA GLU A 34 66.102 23.798 11.874 1.00 36.53 C ATOM 539 C GLU A 34 64.717 23.630 12.484 1.00 35.34 C ATOM 540 O GLU A 34 64.569 23.026 13.549 1.00 34.99 O ATOM 541 CB GLU A 34 66.739 22.427 11.630 1.00 37.22 C ATOM 542 CG GLU A 34 68.158 22.493 11.087 0.50 36.82 C ATOM 543 CD GLU A 34 68.829 21.133 11.049 0.50 36.76 C ATOM 544 OE1 GLU A 34 68.595 20.381 10.079 0.50 37.76 O ATOM 545 OE2 GLU A 34 69.587 20.819 11.991 0.50 36.04 O ATOM 0 H GLU A 34 67.287 24.090 13.572 1.00 38.54 H new ATOM 0 HA GLU A 34 66.013 24.312 10.917 1.00 36.53 H new ATOM 0 HB2 GLU A 34 66.745 21.868 12.566 1.00 37.22 H new ATOM 0 HB3 GLU A 34 66.118 21.869 10.929 1.00 37.22 H new ATOM 0 HG2 GLU A 34 68.140 22.914 10.082 0.50 36.82 H new ATOM 0 HG3 GLU A 34 68.749 23.169 11.705 0.50 36.82 H new ATOM 552 N GLU A 35 63.706 24.176 11.810 1.00 33.27 N ATOM 553 CA GLU A 35 62.331 24.092 12.293 0.50 31.92 C ATOM 554 C GLU A 35 61.910 22.637 12.460 1.00 30.55 C ATOM 555 O GLU A 35 61.888 21.872 11.493 1.00 32.49 O ATOM 556 CB GLU A 35 61.376 24.809 11.333 0.50 32.23 C ATOM 557 CG GLU A 35 61.647 26.301 11.201 0.50 32.26 C ATOM 558 CD GLU A 35 60.711 26.979 10.219 0.50 31.89 C ATOM 559 OE1 GLU A 35 61.050 27.036 9.018 0.50 31.33 O ATOM 560 OE2 GLU A 35 59.638 27.453 10.650 0.50 31.03 O ATOM 0 H GLU A 35 63.814 24.680 10.930 1.00 33.27 H new ATOM 0 HA GLU A 35 62.282 24.584 13.264 0.50 31.92 H new ATOM 0 HB2 GLU A 35 61.450 24.347 10.349 0.50 32.23 H new ATOM 0 HB3 GLU A 35 60.352 24.664 11.677 0.50 32.23 H new ATOM 0 HG2 GLU A 35 61.546 26.773 12.178 0.50 32.26 H new ATOM 0 HG3 GLU A 35 62.677 26.452 10.879 0.50 32.26 H new ATOM 567 N GLY A 36 61.581 22.258 13.694 1.00 28.28 N ATOM 568 CA GLY A 36 61.171 20.894 13.971 1.00 24.78 C ATOM 569 C GLY A 36 62.318 20.010 14.421 1.00 23.68 C ATOM 570 O GLY A 36 62.187 18.787 14.435 1.00 23.56 O ATOM 0 H GLY A 36 61.592 22.874 14.507 1.00 28.28 H new ATOM 0 HA2 GLY A 36 60.401 20.902 14.743 1.00 24.78 H new ATOM 0 HA3 GLY A 36 60.720 20.467 13.075 1.00 24.78 H new ATOM 574 N TRP A 37 63.444 20.624 14.782 1.00 23.14 N ATOM 575 CA TRP A 37 64.605 19.877 15.238 1.00 20.93 C ATOM 576 C TRP A 37 65.186 20.502 16.498 1.00 21.08 C ATOM 577 O TRP A 37 65.384 21.717 16.574 1.00 21.30 O ATOM 578 CB TRP A 37 65.664 19.799 14.135 1.00 20.40 C ATOM 579 CG TRP A 37 65.205 19.027 12.935 1.00 20.90 C ATOM 580 CD1 TRP A 37 65.017 19.507 11.671 1.00 20.96 C ATOM 581 CD2 TRP A 37 64.861 17.636 12.890 1.00 19.62 C ATOM 582 NE1 TRP A 37 64.585 18.501 10.842 1.00 18.59 N ATOM 583 CE2 TRP A 37 64.480 17.343 11.567 1.00 19.33 C ATOM 584 CE3 TRP A 37 64.841 16.611 13.839 1.00 18.84 C ATOM 585 CZ2 TRP A 37 64.084 16.067 11.172 1.00 17.78 C ATOM 586 CZ3 TRP A 37 64.447 15.347 13.446 1.00 19.33 C ATOM 587 CH2 TRP A 37 64.074 15.084 12.123 1.00 21.05 C ATOM 0 H TRP A 37 63.572 21.636 14.766 1.00 23.14 H new ATOM 0 HA TRP A 37 64.286 18.863 15.477 1.00 20.93 H new ATOM 0 HB2 TRP A 37 65.936 20.809 13.828 1.00 20.40 H new ATOM 0 HB3 TRP A 37 66.565 19.334 14.536 1.00 20.40 H new ATOM 0 HD1 TRP A 37 65.184 20.530 11.367 1.00 20.96 H new ATOM 0 HE1 TRP A 37 64.376 18.600 9.848 1.00 18.59 H new ATOM 0 HE3 TRP A 37 65.129 16.804 14.862 1.00 18.84 H new ATOM 0 HZ2 TRP A 37 63.795 15.861 10.152 1.00 17.78 H new ATOM 0 HZ3 TRP A 37 64.426 14.548 14.172 1.00 19.33 H new ATOM 0 HH2 TRP A 37 63.772 14.084 11.847 1.00 21.05 H new ATOM 598 N LEU A 38 65.457 19.652 17.478 1.00 21.83 N ATOM 599 CA LEU A 38 66.012 20.087 18.753 1.00 21.88 C ATOM 600 C LEU A 38 67.357 19.414 18.995 1.00 22.72 C ATOM 601 O LEU A 38 67.709 18.462 18.305 1.00 23.91 O ATOM 602 CB LEU A 38 65.046 19.757 19.896 1.00 21.21 C ATOM 603 CG LEU A 38 63.680 20.446 19.820 1.00 20.69 C ATOM 604 CD1 LEU A 38 62.771 19.949 20.934 1.00 18.49 C ATOM 605 CD2 LEU A 38 63.837 21.958 19.896 1.00 18.88 C ATOM 0 H LEU A 38 65.300 18.646 17.413 1.00 21.83 H new ATOM 0 HA LEU A 38 66.157 21.167 18.720 1.00 21.88 H new ATOM 0 HB2 LEU A 38 64.890 18.678 19.917 1.00 21.21 H new ATOM 0 HB3 LEU A 38 65.519 20.029 20.839 1.00 21.21 H new ATOM 0 HG LEU A 38 63.223 20.196 18.863 1.00 20.69 H new ATOM 0 HD11 LEU A 38 61.805 20.449 20.865 1.00 18.49 H new ATOM 0 HD12 LEU A 38 62.631 18.873 20.836 1.00 18.49 H new ATOM 0 HD13 LEU A 38 63.225 20.169 21.900 1.00 18.49 H new ATOM 0 HD21 LEU A 38 62.856 22.429 19.840 1.00 18.88 H new ATOM 0 HD22 LEU A 38 64.316 22.227 20.837 1.00 18.88 H new ATOM 0 HD23 LEU A 38 64.452 22.302 19.065 1.00 18.88 H new ATOM 617 N GLU A 39 68.103 19.914 19.971 1.00 21.79 N ATOM 618 CA GLU A 39 69.411 19.354 20.300 1.00 23.86 C ATOM 619 C GLU A 39 69.485 18.995 21.780 1.00 21.01 C ATOM 620 O GLU A 39 69.330 19.859 22.645 1.00 19.88 O ATOM 621 CB GLU A 39 70.521 20.346 19.933 1.00 25.80 C ATOM 622 CG GLU A 39 71.920 19.881 20.316 1.00 33.40 C ATOM 623 CD GLU A 39 72.244 18.490 19.802 1.00 39.01 C ATOM 624 OE1 GLU A 39 72.327 18.314 18.568 1.00 41.93 O ATOM 625 OE2 GLU A 39 72.412 17.576 20.636 1.00 43.40 O ATOM 0 H GLU A 39 67.826 20.707 20.550 1.00 21.79 H new ATOM 0 HA GLU A 39 69.552 18.442 19.720 1.00 23.86 H new ATOM 0 HB2 GLU A 39 70.491 20.527 18.859 1.00 25.80 H new ATOM 0 HB3 GLU A 39 70.319 21.299 20.423 1.00 25.80 H new ATOM 0 HG2 GLU A 39 72.652 20.587 19.923 1.00 33.40 H new ATOM 0 HG3 GLU A 39 72.016 19.893 21.402 1.00 33.40 H new ATOM 632 N GLY A 40 69.734 17.718 22.064 1.00 18.22 N ATOM 633 CA GLY A 40 69.815 17.266 23.443 1.00 20.08 C ATOM 634 C GLY A 40 70.655 16.018 23.611 1.00 18.70 C ATOM 635 O GLY A 40 70.940 15.312 22.642 1.00 18.64 O ATOM 0 H GLY A 40 69.881 16.990 21.365 1.00 18.22 H new ATOM 0 HA2 GLY A 40 70.234 18.064 24.056 1.00 20.08 H new ATOM 0 HA3 GLY A 40 68.809 17.072 23.815 1.00 20.08 H new ATOM 639 N GLU A 41 71.052 15.752 24.853 1.00 18.96 N ATOM 640 CA GLU A 41 71.862 14.586 25.175 1.00 20.96 C ATOM 641 C GLU A 41 70.976 13.430 25.629 1.00 20.09 C ATOM 642 O GLU A 41 70.471 13.420 26.753 1.00 19.27 O ATOM 643 CB GLU A 41 72.893 14.939 26.255 1.00 22.24 C ATOM 644 CG GLU A 41 73.877 13.819 26.565 1.00 26.27 C ATOM 645 CD GLU A 41 73.304 12.776 27.507 1.00 30.19 C ATOM 646 OE1 GLU A 41 73.210 13.058 28.720 1.00 29.05 O ATOM 647 OE2 GLU A 41 72.948 11.678 27.031 1.00 32.10 O ATOM 0 H GLU A 41 70.822 16.335 25.657 1.00 18.96 H new ATOM 0 HA GLU A 41 72.396 14.272 24.278 1.00 20.96 H new ATOM 0 HB2 GLU A 41 73.450 15.820 25.936 1.00 22.24 H new ATOM 0 HB3 GLU A 41 72.366 15.209 27.170 1.00 22.24 H new ATOM 0 HG2 GLU A 41 74.176 13.336 25.634 1.00 26.27 H new ATOM 0 HG3 GLU A 41 74.778 14.245 27.007 1.00 26.27 H new ATOM 654 N LEU A 42 70.787 12.467 24.733 1.00 19.56 N ATOM 655 CA LEU A 42 69.971 11.294 25.018 1.00 21.20 C ATOM 656 C LEU A 42 70.731 10.029 24.658 1.00 22.89 C ATOM 657 O LEU A 42 71.436 9.985 23.648 1.00 22.08 O ATOM 658 CB LEU A 42 68.647 11.347 24.250 1.00 18.58 C ATOM 659 CG LEU A 42 67.691 10.181 24.527 1.00 15.91 C ATOM 660 CD1 LEU A 42 67.164 10.245 25.952 1.00 15.01 C ATOM 661 CD2 LEU A 42 66.542 10.180 23.531 1.00 17.47 C ATOM 0 H LEU A 42 71.192 12.477 23.797 1.00 19.56 H new ATOM 0 HA LEU A 42 69.747 11.286 26.085 1.00 21.20 H new ATOM 0 HB2 LEU A 42 68.139 12.280 24.495 1.00 18.58 H new ATOM 0 HB3 LEU A 42 68.864 11.373 23.182 1.00 18.58 H new ATOM 0 HG LEU A 42 68.246 9.250 24.409 1.00 15.91 H new ATOM 0 HD11 LEU A 42 66.487 9.409 26.128 1.00 15.01 H new ATOM 0 HD12 LEU A 42 67.998 10.190 26.651 1.00 15.01 H new ATOM 0 HD13 LEU A 42 66.628 11.182 26.100 1.00 15.01 H new ATOM 0 HD21 LEU A 42 65.875 9.345 23.745 1.00 17.47 H new ATOM 0 HD22 LEU A 42 65.989 11.116 23.613 1.00 17.47 H new ATOM 0 HD23 LEU A 42 66.937 10.079 22.520 1.00 17.47 H new ATOM 673 N ASN A 43 70.587 9.004 25.493 1.00 25.48 N ATOM 674 CA ASN A 43 71.265 7.728 25.277 1.00 26.38 C ATOM 675 C ASN A 43 72.787 7.884 25.383 1.00 29.40 C ATOM 676 O ASN A 43 73.538 7.023 24.919 1.00 30.74 O ATOM 677 CB ASN A 43 70.891 7.142 23.907 1.00 24.64 C ATOM 678 CG ASN A 43 69.389 7.027 23.706 0.50 23.85 C ATOM 679 OD1 ASN A 43 68.638 6.802 24.655 0.50 20.08 O ATOM 680 ND2 ASN A 43 68.942 7.185 22.463 0.50 21.91 N ATOM 0 H ASN A 43 70.004 9.032 26.330 1.00 25.48 H new ATOM 0 HA ASN A 43 70.936 7.042 26.057 1.00 26.38 H new ATOM 0 HB2 ASN A 43 71.311 7.770 23.121 1.00 24.64 H new ATOM 0 HB3 ASN A 43 71.343 6.156 23.803 1.00 24.64 H new ATOM 0 HD21 ASN A 43 67.943 7.121 22.268 0.50 21.91 H new ATOM 0 HD22 ASN A 43 69.598 7.370 21.705 0.50 21.91 H new ATOM 687 N GLY A 44 73.240 8.983 26.003 1.00 31.47 N ATOM 688 CA GLY A 44 74.664 9.219 26.161 1.00 32.96 C ATOM 689 C GLY A 44 75.293 9.912 24.970 1.00 33.01 C ATOM 690 O GLY A 44 76.518 9.940 24.843 1.00 32.58 O ATOM 0 H GLY A 44 72.641 9.709 26.396 1.00 31.47 H new ATOM 0 HA2 GLY A 44 74.828 9.824 27.053 1.00 32.96 H new ATOM 0 HA3 GLY A 44 75.167 8.266 26.325 1.00 32.96 H new ATOM 694 N ARG A 45 74.460 10.470 24.097 1.00 32.71 N ATOM 695 CA ARG A 45 74.945 11.164 22.918 1.00 32.86 C ATOM 696 C ARG A 45 74.113 12.409 22.643 1.00 31.58 C ATOM 697 O ARG A 45 72.918 12.448 22.940 1.00 31.44 O ATOM 698 CB ARG A 45 74.913 10.238 21.698 1.00 33.41 C ATOM 699 CG ARG A 45 73.547 9.616 21.437 1.00 36.02 C ATOM 700 CD ARG A 45 73.366 9.256 19.971 1.00 39.71 C ATOM 701 NE ARG A 45 73.265 10.444 19.122 1.00 41.97 N ATOM 702 CZ ARG A 45 73.024 10.409 17.810 1.00 44.26 C ATOM 703 NH1 ARG A 45 72.855 9.247 17.184 1.00 45.68 N ATOM 704 NH2 ARG A 45 72.950 11.541 17.120 1.00 44.83 N ATOM 0 H ARG A 45 73.444 10.453 24.188 1.00 32.71 H new ATOM 0 HA ARG A 45 75.975 11.467 23.106 1.00 32.86 H new ATOM 0 HB2 ARG A 45 75.220 10.802 20.817 1.00 33.41 H new ATOM 0 HB3 ARG A 45 75.644 9.442 21.838 1.00 33.41 H new ATOM 0 HG2 ARG A 45 73.431 8.721 22.049 1.00 36.02 H new ATOM 0 HG3 ARG A 45 72.766 10.313 21.740 1.00 36.02 H new ATOM 0 HD2 ARG A 45 74.207 8.646 19.641 1.00 39.71 H new ATOM 0 HD3 ARG A 45 72.467 8.650 19.855 1.00 39.71 H new ATOM 0 HE ARG A 45 73.387 11.357 19.561 1.00 41.97 H new ATOM 0 HH11 ARG A 45 72.909 8.373 17.707 1.00 45.68 H new ATOM 0 HH12 ARG A 45 72.671 9.230 16.181 1.00 45.68 H new ATOM 0 HH21 ARG A 45 73.077 12.436 17.593 1.00 44.83 H new ATOM 0 HH22 ARG A 45 72.766 11.516 16.117 1.00 44.83 H new ATOM 718 N ARG A 46 74.750 13.419 22.066 1.00 29.31 N ATOM 719 CA ARG A 46 74.066 14.659 21.736 1.00 28.15 C ATOM 720 C ARG A 46 73.603 14.597 20.288 1.00 25.89 C ATOM 721 O ARG A 46 74.424 14.541 19.369 1.00 24.31 O ATOM 722 CB ARG A 46 74.982 15.866 21.956 1.00 29.02 C ATOM 723 CG ARG A 46 75.340 16.103 23.416 1.00 33.26 C ATOM 724 CD ARG A 46 76.165 17.370 23.592 1.00 34.98 C ATOM 725 NE ARG A 46 77.452 17.295 22.897 1.00 37.59 N ATOM 726 CZ ARG A 46 78.249 18.346 22.682 1.00 37.81 C ATOM 727 NH1 ARG A 46 77.901 19.558 23.109 1.00 35.42 N ATOM 728 NH2 ARG A 46 79.400 18.183 22.039 1.00 38.71 N ATOM 0 H ARG A 46 75.739 13.403 21.817 1.00 29.31 H new ATOM 0 HA ARG A 46 73.203 14.778 22.392 1.00 28.15 H new ATOM 0 HB2 ARG A 46 75.899 15.724 21.384 1.00 29.02 H new ATOM 0 HB3 ARG A 46 74.495 16.758 21.561 1.00 29.02 H new ATOM 0 HG2 ARG A 46 74.427 16.177 24.008 1.00 33.26 H new ATOM 0 HG3 ARG A 46 75.899 15.248 23.798 1.00 33.26 H new ATOM 0 HD2 ARG A 46 75.601 18.224 23.216 1.00 34.98 H new ATOM 0 HD3 ARG A 46 76.337 17.544 24.654 1.00 34.98 H new ATOM 0 HE ARG A 46 77.759 16.384 22.556 1.00 37.59 H new ATOM 0 HH11 ARG A 46 77.020 19.690 23.605 1.00 35.42 H new ATOM 0 HH12 ARG A 46 78.516 20.354 22.940 1.00 35.42 H new ATOM 0 HH21 ARG A 46 79.674 17.257 21.710 1.00 38.71 H new ATOM 0 HH22 ARG A 46 80.010 18.984 21.874 1.00 38.71 H new ATOM 742 N GLY A 47 72.289 14.607 20.086 1.00 23.54 N ATOM 743 CA GLY A 47 71.756 14.516 18.741 1.00 20.18 C ATOM 744 C GLY A 47 70.579 15.434 18.492 1.00 18.28 C ATOM 745 O GLY A 47 70.183 16.209 19.363 1.00 15.10 O ATOM 0 H GLY A 47 71.589 14.676 20.825 1.00 23.54 H new ATOM 0 HA2 GLY A 47 72.547 14.752 18.029 1.00 20.18 H new ATOM 0 HA3 GLY A 47 71.451 13.487 18.549 1.00 20.18 H new ATOM 749 N MET A 48 70.015 15.329 17.292 1.00 19.75 N ATOM 750 CA MET A 48 68.880 16.149 16.900 1.00 24.37 C ATOM 751 C MET A 48 67.633 15.286 16.758 1.00 21.67 C ATOM 752 O MET A 48 67.669 14.226 16.132 1.00 23.42 O ATOM 753 CB MET A 48 69.169 16.880 15.587 1.00 23.84 C ATOM 754 CG MET A 48 70.449 17.700 15.614 1.00 29.41 C ATOM 755 SD MET A 48 70.753 18.563 14.062 1.00 32.83 S ATOM 756 CE MET A 48 72.312 19.367 14.422 1.00 33.81 C ATOM 0 H MET A 48 70.330 14.679 16.572 1.00 19.75 H new ATOM 0 HA MET A 48 68.708 16.894 17.677 1.00 24.37 H new ATOM 0 HB2 MET A 48 69.233 16.149 14.781 1.00 23.84 H new ATOM 0 HB3 MET A 48 68.331 17.538 15.355 1.00 23.84 H new ATOM 0 HG2 MET A 48 70.393 18.427 16.424 1.00 29.41 H new ATOM 0 HG3 MET A 48 71.292 17.044 15.832 1.00 29.41 H new ATOM 0 HE1 MET A 48 72.633 19.943 13.554 1.00 33.81 H new ATOM 0 HE2 MET A 48 72.189 20.034 15.275 1.00 33.81 H new ATOM 0 HE3 MET A 48 73.064 18.614 14.656 1.00 33.81 H new ATOM 766 N PHE A 49 66.528 15.754 17.322 1.00 19.37 N ATOM 767 CA PHE A 49 65.276 15.005 17.287 1.00 19.28 C ATOM 768 C PHE A 49 64.091 15.912 16.965 1.00 17.06 C ATOM 769 O PHE A 49 64.148 17.123 17.186 1.00 14.70 O ATOM 770 CB PHE A 49 65.051 14.307 18.633 1.00 18.38 C ATOM 771 CG PHE A 49 65.458 15.151 19.808 1.00 19.54 C ATOM 772 CD1 PHE A 49 66.765 15.133 20.265 1.00 18.95 C ATOM 773 CD2 PHE A 49 64.541 15.973 20.441 1.00 21.48 C ATOM 774 CE1 PHE A 49 67.151 15.917 21.333 1.00 17.87 C ATOM 775 CE2 PHE A 49 64.922 16.761 21.509 1.00 20.51 C ATOM 776 CZ PHE A 49 66.229 16.733 21.955 1.00 18.61 C ATOM 0 H PHE A 49 66.471 16.648 17.809 1.00 19.37 H new ATOM 0 HA PHE A 49 65.351 14.259 16.496 1.00 19.28 H new ATOM 0 HB2 PHE A 49 63.997 14.045 18.728 1.00 18.38 H new ATOM 0 HB3 PHE A 49 65.614 13.374 18.651 1.00 18.38 H new ATOM 0 HD1 PHE A 49 67.491 14.498 19.780 1.00 18.95 H new ATOM 0 HD2 PHE A 49 63.518 15.998 20.096 1.00 21.48 H new ATOM 0 HE1 PHE A 49 68.173 15.892 21.681 1.00 17.87 H new ATOM 0 HE2 PHE A 49 64.199 17.399 21.995 1.00 20.51 H new ATOM 0 HZ PHE A 49 66.529 17.349 22.790 1.00 18.61 H new ATOM 786 N PRO A 50 62.996 15.330 16.440 1.00 18.64 N ATOM 787 CA PRO A 50 61.789 16.085 16.085 1.00 17.68 C ATOM 788 C PRO A 50 61.188 16.822 17.283 1.00 17.04 C ATOM 789 O PRO A 50 61.087 16.270 18.380 1.00 17.64 O ATOM 790 CB PRO A 50 60.822 15.015 15.563 1.00 18.09 C ATOM 791 CG PRO A 50 61.364 13.717 16.056 1.00 15.45 C ATOM 792 CD PRO A 50 62.849 13.894 16.151 1.00 16.48 C ATOM 0 HA PRO A 50 62.003 16.865 15.354 1.00 17.68 H new ATOM 0 HB2 PRO A 50 59.811 15.185 15.934 1.00 18.09 H new ATOM 0 HB3 PRO A 50 60.769 15.031 14.474 1.00 18.09 H new ATOM 0 HG2 PRO A 50 60.939 13.461 17.027 1.00 15.45 H new ATOM 0 HG3 PRO A 50 61.111 12.905 15.374 1.00 15.45 H new ATOM 0 HD2 PRO A 50 63.279 13.278 16.941 1.00 16.48 H new ATOM 0 HD3 PRO A 50 63.348 13.616 15.223 1.00 16.48 H new ATOM 800 N ASP A 51 60.790 18.073 17.054 1.00 18.08 N ATOM 801 CA ASP A 51 60.206 18.911 18.102 1.00 21.32 C ATOM 802 C ASP A 51 58.834 18.395 18.546 1.00 20.86 C ATOM 803 O ASP A 51 58.506 18.441 19.733 1.00 22.92 O ATOM 804 CB ASP A 51 60.085 20.358 17.609 1.00 20.97 C ATOM 805 CG ASP A 51 59.576 21.303 18.682 1.00 24.99 C ATOM 806 OD1 ASP A 51 60.407 21.843 19.441 1.00 24.50 O ATOM 807 OD2 ASP A 51 58.345 21.503 18.762 1.00 25.32 O ATOM 0 H ASP A 51 60.862 18.531 16.146 1.00 18.08 H new ATOM 0 HA ASP A 51 60.870 18.872 18.965 1.00 21.32 H new ATOM 0 HB2 ASP A 51 61.059 20.701 17.261 1.00 20.97 H new ATOM 0 HB3 ASP A 51 59.411 20.390 16.753 1.00 20.97 H new ATOM 812 N ASN A 52 58.038 17.905 17.592 1.00 21.11 N ATOM 813 CA ASN A 52 56.697 17.393 17.891 1.00 22.93 C ATOM 814 C ASN A 52 56.720 15.981 18.499 1.00 22.66 C ATOM 815 O ASN A 52 55.664 15.388 18.726 1.00 22.72 O ATOM 816 CB ASN A 52 55.839 17.395 16.621 1.00 22.50 C ATOM 817 CG ASN A 52 55.670 18.787 16.037 1.00 24.81 C ATOM 818 OD1 ASN A 52 56.466 19.223 15.205 1.00 25.56 O ATOM 819 ND2 ASN A 52 54.631 19.493 16.472 1.00 22.94 N ATOM 0 H ASN A 52 58.298 17.852 16.607 1.00 21.11 H new ATOM 0 HA ASN A 52 56.264 18.058 18.638 1.00 22.93 H new ATOM 0 HB2 ASN A 52 56.297 16.745 15.876 1.00 22.50 H new ATOM 0 HB3 ASN A 52 54.858 16.978 16.848 1.00 22.50 H new ATOM 0 HD21 ASN A 52 54.469 20.435 16.115 1.00 22.94 H new ATOM 0 HD22 ASN A 52 53.996 19.093 17.163 1.00 22.94 H new ATOM 826 N PHE A 53 57.915 15.449 18.766 1.00 21.55 N ATOM 827 CA PHE A 53 58.053 14.116 19.350 1.00 20.71 C ATOM 828 C PHE A 53 58.440 14.202 20.823 1.00 21.87 C ATOM 829 O PHE A 53 58.216 13.263 21.582 1.00 21.91 O ATOM 830 CB PHE A 53 59.094 13.301 18.580 1.00 20.11 C ATOM 831 CG PHE A 53 58.583 12.735 17.281 1.00 19.57 C ATOM 832 CD1 PHE A 53 57.980 13.553 16.337 1.00 17.93 C ATOM 833 CD2 PHE A 53 58.709 11.383 17.004 1.00 17.81 C ATOM 834 CE1 PHE A 53 57.514 13.034 15.145 1.00 17.12 C ATOM 835 CE2 PHE A 53 58.244 10.858 15.813 1.00 15.91 C ATOM 836 CZ PHE A 53 57.646 11.685 14.883 1.00 18.05 C ATOM 0 H PHE A 53 58.800 15.922 18.586 1.00 21.55 H new ATOM 0 HA PHE A 53 57.088 13.615 19.278 1.00 20.71 H new ATOM 0 HB2 PHE A 53 59.958 13.933 18.375 1.00 20.11 H new ATOM 0 HB3 PHE A 53 59.440 12.482 19.211 1.00 20.11 H new ATOM 0 HD1 PHE A 53 57.874 14.609 16.537 1.00 17.93 H new ATOM 0 HD2 PHE A 53 59.176 10.732 17.728 1.00 17.81 H new ATOM 0 HE1 PHE A 53 57.047 13.683 14.419 1.00 17.12 H new ATOM 0 HE2 PHE A 53 58.348 9.802 15.610 1.00 15.91 H new ATOM 0 HZ PHE A 53 57.282 11.277 13.952 1.00 18.05 H new ATOM 846 N VAL A 54 59.026 15.334 21.219 1.00 20.47 N ATOM 847 CA VAL A 54 59.434 15.549 22.600 1.00 19.01 C ATOM 848 C VAL A 54 58.672 16.723 23.210 1.00 19.31 C ATOM 849 O VAL A 54 58.432 17.732 22.544 1.00 17.80 O ATOM 850 CB VAL A 54 60.951 15.809 22.713 1.00 19.69 C ATOM 851 CG1 VAL A 54 61.734 14.553 22.365 1.00 15.47 C ATOM 852 CG2 VAL A 54 61.370 16.969 21.820 1.00 16.35 C ATOM 0 H VAL A 54 59.227 16.116 20.596 1.00 20.47 H new ATOM 0 HA VAL A 54 59.199 14.637 23.149 1.00 19.01 H new ATOM 0 HB VAL A 54 61.175 16.079 23.745 1.00 19.69 H new ATOM 0 HG11 VAL A 54 62.802 14.755 22.450 1.00 15.47 H new ATOM 0 HG12 VAL A 54 61.460 13.752 23.051 1.00 15.47 H new ATOM 0 HG13 VAL A 54 61.502 14.251 21.344 1.00 15.47 H new ATOM 0 HG21 VAL A 54 62.443 17.133 21.917 1.00 16.35 H new ATOM 0 HG22 VAL A 54 61.131 16.735 20.783 1.00 16.35 H new ATOM 0 HG23 VAL A 54 60.836 17.871 22.121 1.00 16.35 H new ATOM 862 N LYS A 55 58.295 16.582 24.477 1.00 19.27 N ATOM 863 CA LYS A 55 57.560 17.626 25.180 1.00 21.49 C ATOM 864 C LYS A 55 58.412 18.209 26.302 1.00 23.86 C ATOM 865 O LYS A 55 58.904 17.475 27.160 1.00 23.57 O ATOM 866 CB LYS A 55 56.251 17.066 25.747 1.00 21.82 C ATOM 867 CG LYS A 55 55.358 18.117 26.394 1.00 22.17 C ATOM 868 CD LYS A 55 54.871 19.146 25.382 1.00 20.83 C ATOM 869 CE LYS A 55 53.962 18.518 24.336 1.00 24.52 C ATOM 870 NZ LYS A 55 53.476 19.519 23.347 1.00 24.40 N ATOM 0 H LYS A 55 58.487 15.752 25.038 1.00 19.27 H new ATOM 0 HA LYS A 55 57.323 18.420 24.472 1.00 21.49 H new ATOM 0 HB2 LYS A 55 55.698 16.578 24.944 1.00 21.82 H new ATOM 0 HB3 LYS A 55 56.485 16.299 26.485 1.00 21.82 H new ATOM 0 HG2 LYS A 55 54.501 17.630 26.858 1.00 22.17 H new ATOM 0 HG3 LYS A 55 55.907 18.621 27.189 1.00 22.17 H new ATOM 0 HD2 LYS A 55 54.335 19.941 25.900 1.00 20.83 H new ATOM 0 HD3 LYS A 55 55.728 19.607 24.890 1.00 20.83 H new ATOM 0 HE2 LYS A 55 54.501 17.726 23.816 1.00 24.52 H new ATOM 0 HE3 LYS A 55 53.109 18.052 24.829 1.00 24.52 H new ATOM 0 HZ1 LYS A 55 52.860 19.050 22.652 1.00 24.40 H new ATOM 0 HZ2 LYS A 55 52.940 20.262 23.840 1.00 24.40 H new ATOM 0 HZ3 LYS A 55 54.288 19.946 22.857 1.00 24.40 H new ATOM 884 N GLU A 56 58.587 19.530 26.289 1.00 24.78 N ATOM 885 CA GLU A 56 59.385 20.209 27.307 1.00 27.68 C ATOM 886 C GLU A 56 58.932 19.815 28.709 1.00 27.45 C ATOM 887 O GLU A 56 57.736 19.664 28.967 1.00 29.34 O ATOM 888 CB GLU A 56 59.295 21.728 27.135 1.00 29.40 C ATOM 889 CG GLU A 56 60.339 22.492 27.934 1.00 32.23 C ATOM 890 CD GLU A 56 60.368 23.972 27.600 1.00 32.36 C ATOM 891 OE1 GLU A 56 60.756 24.317 26.464 1.00 34.64 O ATOM 892 OE2 GLU A 56 60.006 24.785 28.475 1.00 36.50 O ATOM 0 H GLU A 56 58.187 20.150 25.585 1.00 24.78 H new ATOM 0 HA GLU A 56 60.423 19.900 27.180 1.00 27.68 H new ATOM 0 HB2 GLU A 56 59.406 21.973 26.079 1.00 29.40 H new ATOM 0 HB3 GLU A 56 58.302 22.062 27.437 1.00 29.40 H new ATOM 0 HG2 GLU A 56 60.138 22.368 28.998 1.00 32.23 H new ATOM 0 HG3 GLU A 56 61.322 22.062 27.743 1.00 32.23 H new ATOM 899 N ILE A 57 59.895 19.656 29.614 1.00 28.44 N ATOM 900 CA ILE A 57 59.600 19.276 30.991 1.00 27.11 C ATOM 901 C ILE A 57 59.286 20.512 31.830 1.00 29.50 C ATOM 902 O ILE A 57 60.190 21.160 32.362 1.00 28.05 O ATOM 903 CB ILE A 57 60.780 18.509 31.637 1.00 26.77 C ATOM 904 CG1 ILE A 57 61.179 17.304 30.778 1.00 25.02 C ATOM 905 CG2 ILE A 57 60.421 18.064 33.050 1.00 23.48 C ATOM 906 CD1 ILE A 57 60.097 16.255 30.653 1.00 24.60 C ATOM 0 H ILE A 57 60.887 19.785 29.417 1.00 28.44 H new ATOM 0 HA ILE A 57 58.732 18.618 30.965 1.00 27.11 H new ATOM 0 HB ILE A 57 61.634 19.184 31.696 1.00 26.77 H new ATOM 0 HG12 ILE A 57 61.449 17.654 29.782 1.00 25.02 H new ATOM 0 HG13 ILE A 57 62.070 16.844 31.206 1.00 25.02 H new ATOM 0 HG21 ILE A 57 61.263 17.527 33.487 1.00 23.48 H new ATOM 0 HG22 ILE A 57 60.192 18.938 33.660 1.00 23.48 H new ATOM 0 HG23 ILE A 57 59.551 17.408 33.015 1.00 23.48 H new ATOM 0 HD11 ILE A 57 60.455 15.435 30.031 1.00 24.60 H new ATOM 0 HD12 ILE A 57 59.842 15.875 31.642 1.00 24.60 H new ATOM 0 HD13 ILE A 57 59.212 16.698 30.196 1.00 24.60 H new ATOM 918 N LYS A 58 58.001 20.842 31.932 1.00 30.67 N ATOM 919 CA LYS A 58 57.567 22.002 32.705 1.00 34.32 C ATOM 920 C LYS A 58 57.259 21.608 34.150 1.00 33.94 C ATOM 921 O LYS A 58 58.071 21.944 35.037 1.00 34.32 O ATOM 922 CB LYS A 58 56.339 22.652 32.055 1.00 33.25 C ATOM 923 CG LYS A 58 56.573 23.112 30.622 1.00 34.92 C ATOM 924 CD LYS A 58 57.690 24.144 30.532 1.00 37.93 C ATOM 925 CE LYS A 58 57.339 25.429 31.269 1.00 41.50 C ATOM 926 NZ LYS A 58 56.190 26.142 30.642 1.00 44.29 N ATOM 927 OXT LYS A 58 56.214 20.961 34.383 1.00 24.60 O ATOM 0 H LYS A 58 57.243 20.323 31.489 1.00 30.67 H new ATOM 0 HA LYS A 58 58.380 22.727 32.714 1.00 34.32 H new ATOM 0 HB2 LYS A 58 55.513 21.941 32.068 1.00 33.25 H new ATOM 0 HB3 LYS A 58 56.032 23.508 32.656 1.00 33.25 H new ATOM 0 HG2 LYS A 58 56.823 22.252 30.001 1.00 34.92 H new ATOM 0 HG3 LYS A 58 55.652 23.538 30.222 1.00 34.92 H new ATOM 0 HD2 LYS A 58 58.605 23.725 30.950 1.00 37.93 H new ATOM 0 HD3 LYS A 58 57.892 24.370 29.485 1.00 37.93 H new ATOM 0 HE2 LYS A 58 57.098 25.197 32.306 1.00 41.50 H new ATOM 0 HE3 LYS A 58 58.208 26.087 31.283 1.00 41.50 H new ATOM 0 HZ1 LYS A 58 56.094 27.086 31.067 1.00 44.29 H new ATOM 0 HZ2 LYS A 58 56.357 26.238 29.620 1.00 44.29 H new ATOM 0 HZ3 LYS A 58 55.317 25.600 30.801 1.00 44.29 H new