USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 463 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 15:sc= -0.169 USER MOD Single : A 14 HIS : no HD1:sc= -0.823 K(o=-0.82,f=-1.9!) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.789 USER MOD Single : A 28 ASN : amide:sc= -0.198 K(o=-0.2,f=-2.5!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.362 K(o=-0.36,f=-1.3) USER MOD Single : A 48 MET CE :methyl 180:sc= -0.174 (180deg=-0.174) USER MOD Single : A 52 ASN : amide:sc= 0.0316 X(o=0.032,f=-0.15) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 66.710 23.535 29.029 1.00 28.47 N ATOM 2 CA VAL A 2 65.427 22.877 29.395 1.00 27.63 C ATOM 3 C VAL A 2 65.382 21.438 28.887 1.00 27.22 C ATOM 4 O VAL A 2 65.772 21.157 27.755 1.00 27.29 O ATOM 5 CB VAL A 2 64.210 23.662 28.845 1.00 29.44 C ATOM 6 CG1 VAL A 2 64.288 23.801 27.331 1.00 30.68 C ATOM 7 CG2 VAL A 2 62.903 22.997 29.260 1.00 28.06 C ATOM 0 HA VAL A 2 65.372 22.869 30.484 1.00 27.63 H new ATOM 0 HB VAL A 2 64.234 24.663 29.276 1.00 29.44 H new ATOM 0 HG11 VAL A 2 63.421 24.356 26.971 1.00 30.68 H new ATOM 0 HG12 VAL A 2 65.199 24.336 27.061 1.00 30.68 H new ATOM 0 HG13 VAL A 2 64.300 22.811 26.875 1.00 30.68 H new ATOM 0 HG21 VAL A 2 62.063 23.566 28.862 1.00 28.06 H new ATOM 0 HG22 VAL A 2 62.871 21.981 28.867 1.00 28.06 H new ATOM 0 HG23 VAL A 2 62.839 22.968 30.348 1.00 28.06 H new ATOM 19 N ASP A 3 64.894 20.532 29.732 1.00 25.50 N ATOM 20 CA ASP A 3 64.805 19.120 29.379 1.00 24.73 C ATOM 21 C ASP A 3 63.484 18.803 28.682 1.00 23.55 C ATOM 22 O ASP A 3 62.494 19.518 28.842 1.00 25.41 O ATOM 23 CB ASP A 3 64.954 18.246 30.628 1.00 24.12 C ATOM 24 CG ASP A 3 66.296 18.435 31.309 1.00 23.15 C ATOM 25 OD1 ASP A 3 66.409 19.343 32.159 1.00 27.21 O ATOM 26 OD2 ASP A 3 67.234 17.675 30.992 1.00 23.64 O ATOM 0 H ASP A 3 64.554 20.753 30.668 1.00 25.50 H new ATOM 0 HA ASP A 3 65.618 18.901 28.687 1.00 24.73 H new ATOM 0 HB2 ASP A 3 64.156 18.483 31.332 1.00 24.12 H new ATOM 0 HB3 ASP A 3 64.834 17.198 30.352 1.00 24.12 H new ATOM 31 N TYR A 4 63.488 17.718 27.914 1.00 22.85 N ATOM 32 CA TYR A 4 62.302 17.279 27.183 1.00 20.38 C ATOM 33 C TYR A 4 62.083 15.783 27.367 1.00 19.62 C ATOM 34 O TYR A 4 63.030 15.031 27.601 1.00 19.45 O ATOM 35 CB TYR A 4 62.427 17.598 25.688 1.00 20.51 C ATOM 36 CG TYR A 4 62.024 19.009 25.313 1.00 22.09 C ATOM 37 CD1 TYR A 4 62.681 20.113 25.844 1.00 20.17 C ATOM 38 CD2 TYR A 4 60.986 19.234 24.418 1.00 21.07 C ATOM 39 CE1 TYR A 4 62.313 21.398 25.494 1.00 24.84 C ATOM 40 CE2 TYR A 4 60.614 20.516 24.062 1.00 21.00 C ATOM 41 CZ TYR A 4 61.279 21.593 24.602 1.00 23.27 C ATOM 42 OH TYR A 4 60.910 22.872 24.249 1.00 23.97 O ATOM 0 H TYR A 4 64.305 17.122 27.781 1.00 22.85 H new ATOM 0 HA TYR A 4 61.446 17.820 27.587 1.00 20.38 H new ATOM 0 HB2 TYR A 4 63.459 17.434 25.379 1.00 20.51 H new ATOM 0 HB3 TYR A 4 61.811 16.896 25.126 1.00 20.51 H new ATOM 0 HD1 TYR A 4 63.492 19.964 26.541 1.00 20.17 H new ATOM 0 HD2 TYR A 4 60.460 18.392 23.993 1.00 21.07 H new ATOM 0 HE1 TYR A 4 62.832 22.245 25.917 1.00 24.84 H new ATOM 0 HE2 TYR A 4 59.805 20.672 23.363 1.00 21.00 H new ATOM 0 HH TYR A 4 60.167 22.834 23.611 1.00 23.97 H new ATOM 52 N ILE A 5 60.829 15.359 27.258 1.00 19.64 N ATOM 53 CA ILE A 5 60.480 13.953 27.393 1.00 17.42 C ATOM 54 C ILE A 5 59.875 13.447 26.090 1.00 15.48 C ATOM 55 O ILE A 5 58.963 14.064 25.538 1.00 13.64 O ATOM 56 CB ILE A 5 59.502 13.702 28.568 1.00 17.05 C ATOM 57 CG1 ILE A 5 59.238 12.200 28.728 1.00 18.26 C ATOM 58 CG2 ILE A 5 58.194 14.460 28.362 1.00 17.24 C ATOM 59 CD1 ILE A 5 58.422 11.852 29.954 1.00 24.60 C ATOM 0 H ILE A 5 60.035 15.973 27.076 1.00 19.64 H new ATOM 0 HA ILE A 5 61.396 13.405 27.613 1.00 17.42 H new ATOM 0 HB ILE A 5 59.964 14.074 29.483 1.00 17.05 H new ATOM 0 HG12 ILE A 5 58.719 11.835 27.842 1.00 18.26 H new ATOM 0 HG13 ILE A 5 60.192 11.676 28.777 1.00 18.26 H new ATOM 0 HG21 ILE A 5 57.525 14.267 29.201 1.00 17.24 H new ATOM 0 HG22 ILE A 5 58.399 15.529 28.300 1.00 17.24 H new ATOM 0 HG23 ILE A 5 57.722 14.127 27.438 1.00 17.24 H new ATOM 0 HD11 ILE A 5 58.276 10.773 30.000 1.00 24.60 H new ATOM 0 HD12 ILE A 5 58.949 12.185 30.848 1.00 24.60 H new ATOM 0 HD13 ILE A 5 57.452 12.347 29.898 1.00 24.60 H new ATOM 71 N VAL A 6 60.388 12.326 25.598 1.00 14.88 N ATOM 72 CA VAL A 6 59.917 11.754 24.346 1.00 16.39 C ATOM 73 C VAL A 6 58.500 11.206 24.485 1.00 16.73 C ATOM 74 O VAL A 6 58.213 10.420 25.386 1.00 16.60 O ATOM 75 CB VAL A 6 60.844 10.622 23.854 1.00 14.83 C ATOM 76 CG1 VAL A 6 60.443 10.169 22.457 1.00 13.66 C ATOM 77 CG2 VAL A 6 62.302 11.061 23.879 1.00 14.68 C ATOM 0 H VAL A 6 61.132 11.795 26.050 1.00 14.88 H new ATOM 0 HA VAL A 6 59.922 12.562 23.615 1.00 16.39 H new ATOM 0 HB VAL A 6 60.735 9.777 24.534 1.00 14.83 H new ATOM 0 HG11 VAL A 6 61.108 9.371 22.128 1.00 13.66 H new ATOM 0 HG12 VAL A 6 59.417 9.802 22.474 1.00 13.66 H new ATOM 0 HG13 VAL A 6 60.516 11.010 21.767 1.00 13.66 H new ATOM 0 HG21 VAL A 6 62.934 10.245 23.528 1.00 14.68 H new ATOM 0 HG22 VAL A 6 62.433 11.927 23.229 1.00 14.68 H new ATOM 0 HG23 VAL A 6 62.585 11.326 24.898 1.00 14.68 H new ATOM 87 N GLU A 7 57.620 11.641 23.591 1.00 18.22 N ATOM 88 CA GLU A 7 56.234 11.184 23.588 1.00 19.75 C ATOM 89 C GLU A 7 55.962 10.276 22.384 1.00 19.66 C ATOM 90 O GLU A 7 54.991 9.517 22.380 1.00 19.94 O ATOM 91 CB GLU A 7 55.271 12.378 23.590 1.00 22.09 C ATOM 92 CG GLU A 7 55.346 13.233 22.332 1.00 24.09 C ATOM 93 CD GLU A 7 54.483 14.478 22.416 1.00 26.56 C ATOM 94 OE1 GLU A 7 53.244 14.351 22.310 1.00 25.20 O ATOM 95 OE2 GLU A 7 55.046 15.579 22.585 1.00 30.58 O ATOM 0 H GLU A 7 57.842 12.312 22.856 1.00 18.22 H new ATOM 0 HA GLU A 7 56.066 10.605 24.496 1.00 19.75 H new ATOM 0 HB2 GLU A 7 54.252 12.010 23.707 1.00 22.09 H new ATOM 0 HB3 GLU A 7 55.486 13.004 24.456 1.00 22.09 H new ATOM 0 HG2 GLU A 7 56.382 13.525 22.158 1.00 24.09 H new ATOM 0 HG3 GLU A 7 55.034 12.637 21.474 1.00 24.09 H new ATOM 102 N TYR A 8 56.827 10.360 21.365 1.00 20.46 N ATOM 103 CA TYR A 8 56.699 9.542 20.164 1.00 18.95 C ATOM 104 C TYR A 8 58.046 8.926 19.801 1.00 19.02 C ATOM 105 O TYR A 8 59.090 9.565 19.952 1.00 15.87 O ATOM 106 CB TYR A 8 56.176 10.376 18.989 1.00 21.85 C ATOM 107 CG TYR A 8 54.848 11.052 19.253 1.00 18.43 C ATOM 108 CD1 TYR A 8 53.747 10.322 19.685 1.00 19.22 C ATOM 109 CD2 TYR A 8 54.698 12.421 19.074 1.00 20.37 C ATOM 110 CE1 TYR A 8 52.536 10.939 19.930 1.00 20.17 C ATOM 111 CE2 TYR A 8 53.491 13.044 19.318 1.00 20.58 C ATOM 112 CZ TYR A 8 52.411 12.299 19.746 1.00 21.70 C ATOM 113 OH TYR A 8 51.206 12.916 19.992 1.00 22.64 O ATOM 0 H TYR A 8 57.627 10.993 21.354 1.00 20.46 H new ATOM 0 HA TYR A 8 55.984 8.746 20.370 1.00 18.95 H new ATOM 0 HB2 TYR A 8 56.916 11.137 18.740 1.00 21.85 H new ATOM 0 HB3 TYR A 8 56.076 9.731 18.116 1.00 21.85 H new ATOM 0 HD1 TYR A 8 53.840 9.256 19.831 1.00 19.22 H new ATOM 0 HD2 TYR A 8 55.540 13.008 18.738 1.00 20.37 H new ATOM 0 HE1 TYR A 8 51.690 10.358 20.265 1.00 20.17 H new ATOM 0 HE2 TYR A 8 53.392 14.110 19.175 1.00 20.58 H new ATOM 0 HH TYR A 8 51.288 13.876 19.814 1.00 22.64 H new ATOM 123 N ASP A 9 58.019 7.688 19.317 1.00 19.32 N ATOM 124 CA ASP A 9 59.243 6.989 18.936 1.00 19.54 C ATOM 125 C ASP A 9 59.754 7.489 17.586 1.00 19.44 C ATOM 126 O ASP A 9 59.001 7.541 16.611 1.00 22.24 O ATOM 127 CB ASP A 9 59.000 5.477 18.874 1.00 19.40 C ATOM 128 CG ASP A 9 60.256 4.699 18.527 1.00 19.30 C ATOM 129 OD1 ASP A 9 60.512 4.492 17.321 1.00 22.49 O ATOM 130 OD2 ASP A 9 60.983 4.300 19.459 1.00 22.70 O ATOM 0 H ASP A 9 57.165 7.148 19.179 1.00 19.32 H new ATOM 0 HA ASP A 9 59.999 7.195 19.693 1.00 19.54 H new ATOM 0 HB2 ASP A 9 58.618 5.134 19.836 1.00 19.40 H new ATOM 0 HB3 ASP A 9 58.230 5.266 18.132 1.00 19.40 H new ATOM 135 N TYR A 10 61.036 7.846 17.536 1.00 19.80 N ATOM 136 CA TYR A 10 61.652 8.338 16.307 1.00 19.14 C ATOM 137 C TYR A 10 62.878 7.504 15.948 1.00 19.27 C ATOM 138 O TYR A 10 63.747 7.263 16.789 1.00 19.65 O ATOM 139 CB TYR A 10 62.050 9.811 16.453 1.00 18.98 C ATOM 140 CG TYR A 10 62.825 10.346 15.266 1.00 18.21 C ATOM 141 CD1 TYR A 10 62.168 10.811 14.133 1.00 16.11 C ATOM 142 CD2 TYR A 10 64.214 10.376 15.278 1.00 18.09 C ATOM 143 CE1 TYR A 10 62.874 11.293 13.047 1.00 18.99 C ATOM 144 CE2 TYR A 10 64.927 10.856 14.196 1.00 17.82 C ATOM 145 CZ TYR A 10 64.252 11.312 13.082 1.00 19.73 C ATOM 146 OH TYR A 10 64.957 11.789 12.001 1.00 19.88 O ATOM 0 H TYR A 10 61.669 7.803 18.335 1.00 19.80 H new ATOM 0 HA TYR A 10 60.919 8.250 15.505 1.00 19.14 H new ATOM 0 HB2 TYR A 10 61.150 10.411 16.590 1.00 18.98 H new ATOM 0 HB3 TYR A 10 62.652 9.929 17.354 1.00 18.98 H new ATOM 0 HD1 TYR A 10 61.089 10.795 14.101 1.00 16.11 H new ATOM 0 HD2 TYR A 10 64.745 10.018 16.148 1.00 18.09 H new ATOM 0 HE1 TYR A 10 62.349 11.653 12.175 1.00 18.99 H new ATOM 0 HE2 TYR A 10 66.007 10.874 14.222 1.00 17.82 H new ATOM 0 HH TYR A 10 64.353 12.284 11.409 1.00 19.88 H new ATOM 156 N ASP A 11 62.937 7.069 14.692 1.00 20.91 N ATOM 157 CA ASP A 11 64.056 6.268 14.209 1.00 21.74 C ATOM 158 C ASP A 11 65.116 7.165 13.578 1.00 21.42 C ATOM 159 O ASP A 11 64.879 7.787 12.541 1.00 22.26 O ATOM 160 CB ASP A 11 63.568 5.227 13.196 1.00 22.27 C ATOM 161 CG ASP A 11 62.559 4.266 13.797 1.00 23.57 C ATOM 162 OD1 ASP A 11 61.348 4.573 13.757 1.00 26.05 O ATOM 163 OD2 ASP A 11 62.979 3.206 14.309 1.00 24.76 O ATOM 0 H ASP A 11 62.221 7.259 13.990 1.00 20.91 H new ATOM 0 HA ASP A 11 64.501 5.746 15.056 1.00 21.74 H new ATOM 0 HB2 ASP A 11 63.118 5.736 12.344 1.00 22.27 H new ATOM 0 HB3 ASP A 11 64.421 4.664 12.817 1.00 22.27 H new ATOM 168 N ALA A 12 66.284 7.234 14.221 1.00 20.92 N ATOM 169 CA ALA A 12 67.384 8.058 13.730 1.00 22.85 C ATOM 170 C ALA A 12 67.884 7.566 12.378 1.00 25.49 C ATOM 171 O ALA A 12 68.538 6.525 12.284 1.00 26.15 O ATOM 172 CB ALA A 12 68.524 8.084 14.737 1.00 20.93 C ATOM 0 H ALA A 12 66.490 6.728 15.083 1.00 20.92 H new ATOM 0 HA ALA A 12 67.007 9.072 13.601 1.00 22.85 H new ATOM 0 HB1 ALA A 12 69.335 8.703 14.353 1.00 20.93 H new ATOM 0 HB2 ALA A 12 68.167 8.498 15.680 1.00 20.93 H new ATOM 0 HB3 ALA A 12 68.888 7.070 14.900 1.00 20.93 H new ATOM 178 N VAL A 13 67.562 8.322 11.333 1.00 27.78 N ATOM 179 CA VAL A 13 67.985 7.978 9.980 0.50 28.61 C ATOM 180 C VAL A 13 69.401 8.484 9.727 1.00 29.89 C ATOM 181 O VAL A 13 70.191 7.834 9.041 1.00 31.71 O ATOM 182 CB VAL A 13 67.025 8.547 8.907 0.50 28.07 C ATOM 183 CG1 VAL A 13 65.639 7.937 9.055 0.50 26.47 C ATOM 184 CG2 VAL A 13 66.954 10.067 8.981 0.50 28.31 C ATOM 0 H VAL A 13 67.009 9.177 11.397 1.00 27.78 H new ATOM 0 HA VAL A 13 67.963 6.891 9.900 0.50 28.61 H new ATOM 0 HB VAL A 13 67.419 8.279 7.927 0.50 28.07 H new ATOM 0 HG11 VAL A 13 64.977 8.348 8.293 0.50 26.47 H new ATOM 0 HG12 VAL A 13 65.703 6.856 8.935 0.50 26.47 H new ATOM 0 HG13 VAL A 13 65.243 8.170 10.043 0.50 26.47 H new ATOM 0 HG21 VAL A 13 66.272 10.437 8.215 0.50 28.31 H new ATOM 0 HG22 VAL A 13 66.592 10.367 9.965 0.50 28.31 H new ATOM 0 HG23 VAL A 13 67.947 10.486 8.816 0.50 28.31 H new ATOM 194 N HIS A 14 69.712 9.653 10.292 1.00 31.70 N ATOM 195 CA HIS A 14 71.035 10.249 10.154 1.00 32.50 C ATOM 196 C HIS A 14 71.923 9.864 11.334 1.00 32.86 C ATOM 197 O HIS A 14 71.475 9.198 12.272 1.00 33.89 O ATOM 198 CB HIS A 14 70.928 11.774 10.057 1.00 33.28 C ATOM 199 CG HIS A 14 70.240 12.251 8.815 1.00 35.00 C ATOM 200 ND1 HIS A 14 68.935 12.694 8.800 1.00 35.25 N ATOM 201 CD2 HIS A 14 70.686 12.358 7.540 1.00 35.89 C ATOM 202 CE1 HIS A 14 68.607 13.053 7.572 1.00 36.93 C ATOM 203 NE2 HIS A 14 69.652 12.859 6.790 1.00 37.29 N ATOM 0 H HIS A 14 69.060 10.204 10.850 1.00 31.70 H new ATOM 0 HA HIS A 14 71.486 9.868 9.238 1.00 32.50 H new ATOM 0 HB2 HIS A 14 70.388 12.148 10.927 1.00 33.28 H new ATOM 0 HB3 HIS A 14 71.929 12.203 10.095 1.00 33.28 H new ATOM 0 HD2 HIS A 14 71.671 12.098 7.181 1.00 35.89 H new ATOM 0 HE1 HIS A 14 67.648 13.439 7.261 1.00 36.93 H new ATOM 0 HE2 HIS A 14 69.686 13.051 5.789 1.00 37.29 H new ATOM 212 N ASP A 15 73.183 10.288 11.284 1.00 33.94 N ATOM 213 CA ASP A 15 74.136 9.988 12.349 1.00 35.16 C ATOM 214 C ASP A 15 73.966 10.953 13.520 1.00 33.77 C ATOM 215 O ASP A 15 74.162 10.576 14.676 1.00 32.75 O ATOM 216 CB ASP A 15 75.573 10.047 11.823 1.00 38.42 C ATOM 217 CG ASP A 15 75.848 8.988 10.772 1.00 42.27 C ATOM 218 OD1 ASP A 15 76.235 7.863 11.149 1.00 43.52 O ATOM 219 OD2 ASP A 15 75.673 9.284 9.570 1.00 45.18 O ATOM 0 H ASP A 15 73.568 10.840 10.518 1.00 33.94 H new ATOM 0 HA ASP A 15 73.935 8.977 12.702 1.00 35.16 H new ATOM 0 HB2 ASP A 15 75.762 11.033 11.399 1.00 38.42 H new ATOM 0 HB3 ASP A 15 76.267 9.919 12.654 1.00 38.42 H new ATOM 224 N ASP A 16 73.599 12.198 13.213 1.00 32.66 N ATOM 225 CA ASP A 16 73.389 13.213 14.240 1.00 32.09 C ATOM 226 C ASP A 16 72.010 13.057 14.873 1.00 28.99 C ATOM 227 O ASP A 16 71.809 13.417 16.034 1.00 29.32 O ATOM 228 CB ASP A 16 73.536 14.618 13.644 1.00 33.11 C ATOM 229 CG ASP A 16 72.412 14.963 12.680 1.00 34.80 C ATOM 230 OD1 ASP A 16 72.480 14.536 11.508 1.00 35.07 O ATOM 231 OD2 ASP A 16 71.462 15.656 13.101 1.00 35.42 O ATOM 0 H ASP A 16 73.442 12.526 12.260 1.00 32.66 H new ATOM 0 HA ASP A 16 74.146 13.078 15.012 1.00 32.09 H new ATOM 0 HB2 ASP A 16 73.556 15.351 14.451 1.00 33.11 H new ATOM 0 HB3 ASP A 16 74.491 14.690 13.124 1.00 33.11 H new ATOM 236 N GLU A 17 71.062 12.521 14.100 1.00 26.24 N ATOM 237 CA GLU A 17 69.703 12.317 14.575 1.00 25.30 C ATOM 238 C GLU A 17 69.679 11.403 15.794 1.00 24.54 C ATOM 239 O GLU A 17 70.340 10.363 15.820 1.00 25.14 O ATOM 240 CB GLU A 17 68.827 11.737 13.460 1.00 23.95 C ATOM 241 CG GLU A 17 67.907 12.761 12.808 1.00 20.42 C ATOM 242 CD GLU A 17 68.611 14.066 12.478 1.00 21.71 C ATOM 243 OE1 GLU A 17 69.285 14.132 11.429 1.00 21.61 O ATOM 244 OE2 GLU A 17 68.487 15.022 13.270 1.00 20.15 O ATOM 0 H GLU A 17 71.218 12.221 13.138 1.00 26.24 H new ATOM 0 HA GLU A 17 69.301 13.287 14.869 1.00 25.30 H new ATOM 0 HB2 GLU A 17 69.470 11.300 12.695 1.00 23.95 H new ATOM 0 HB3 GLU A 17 68.223 10.927 13.869 1.00 23.95 H new ATOM 0 HG2 GLU A 17 67.491 12.338 11.894 1.00 20.42 H new ATOM 0 HG3 GLU A 17 67.069 12.965 13.475 1.00 20.42 H new ATOM 251 N LEU A 18 68.911 11.808 16.799 1.00 23.56 N ATOM 252 CA LEU A 18 68.787 11.035 18.024 1.00 20.54 C ATOM 253 C LEU A 18 67.602 10.086 17.939 1.00 19.54 C ATOM 254 O LEU A 18 66.503 10.482 17.547 1.00 17.41 O ATOM 255 CB LEU A 18 68.633 11.954 19.240 1.00 21.20 C ATOM 256 CG LEU A 18 69.923 12.623 19.719 1.00 20.22 C ATOM 257 CD1 LEU A 18 69.655 13.480 20.945 1.00 19.20 C ATOM 258 CD2 LEU A 18 70.994 11.582 20.019 1.00 19.15 C ATOM 0 H LEU A 18 68.365 12.669 16.787 1.00 23.56 H new ATOM 0 HA LEU A 18 69.700 10.452 18.144 1.00 20.54 H new ATOM 0 HB2 LEU A 18 67.908 12.731 18.998 1.00 21.20 H new ATOM 0 HB3 LEU A 18 68.216 11.374 20.063 1.00 21.20 H new ATOM 0 HG LEU A 18 70.289 13.267 18.920 1.00 20.22 H new ATOM 0 HD11 LEU A 18 70.584 13.948 21.272 1.00 19.20 H new ATOM 0 HD12 LEU A 18 68.927 14.252 20.697 1.00 19.20 H new ATOM 0 HD13 LEU A 18 69.262 12.855 21.747 1.00 19.20 H new ATOM 0 HD21 LEU A 18 71.902 12.081 20.358 1.00 19.15 H new ATOM 0 HD22 LEU A 18 70.638 10.908 20.798 1.00 19.15 H new ATOM 0 HD23 LEU A 18 71.209 11.011 19.116 1.00 19.15 H new ATOM 270 N THR A 19 67.834 8.832 18.314 1.00 20.31 N ATOM 271 CA THR A 19 66.783 7.826 18.290 1.00 20.55 C ATOM 272 C THR A 19 65.973 7.913 19.578 1.00 19.06 C ATOM 273 O THR A 19 66.171 7.123 20.505 1.00 18.35 O ATOM 274 CB THR A 19 67.354 6.397 18.136 1.00 20.16 C ATOM 275 OG1 THR A 19 68.273 6.347 17.039 1.00 22.84 O ATOM 276 CG2 THR A 19 66.239 5.386 17.908 1.00 22.41 C ATOM 0 H THR A 19 68.739 8.491 18.637 1.00 20.31 H new ATOM 0 HA THR A 19 66.148 8.025 17.426 1.00 20.55 H new ATOM 0 HB THR A 19 67.874 6.143 19.059 1.00 20.16 H new ATOM 0 HG1 THR A 19 68.629 5.438 16.952 1.00 22.84 H new ATOM 0 HG21 THR A 19 66.667 4.389 17.803 1.00 22.41 H new ATOM 0 HG22 THR A 19 65.556 5.400 18.757 1.00 22.41 H new ATOM 0 HG23 THR A 19 65.694 5.644 17.000 1.00 22.41 H new ATOM 284 N ILE A 20 65.067 8.889 19.642 1.00 19.37 N ATOM 285 CA ILE A 20 64.245 9.095 20.830 1.00 16.93 C ATOM 286 C ILE A 20 63.093 8.096 20.901 1.00 15.57 C ATOM 287 O ILE A 20 62.396 7.863 19.914 1.00 15.48 O ATOM 288 CB ILE A 20 63.673 10.532 20.882 1.00 18.29 C ATOM 289 CG1 ILE A 20 62.856 10.844 19.622 1.00 16.61 C ATOM 290 CG2 ILE A 20 64.798 11.544 21.054 1.00 15.26 C ATOM 291 CD1 ILE A 20 62.213 12.214 19.638 1.00 24.60 C ATOM 0 H ILE A 20 64.885 9.548 18.885 1.00 19.37 H new ATOM 0 HA ILE A 20 64.900 8.940 21.687 1.00 16.93 H new ATOM 0 HB ILE A 20 63.006 10.602 21.742 1.00 18.29 H new ATOM 0 HG12 ILE A 20 63.506 10.767 18.750 1.00 16.61 H new ATOM 0 HG13 ILE A 20 62.079 10.089 19.507 1.00 16.61 H new ATOM 0 HG21 ILE A 20 64.380 12.550 21.089 1.00 15.26 H new ATOM 0 HG22 ILE A 20 65.332 11.340 21.982 1.00 15.26 H new ATOM 0 HG23 ILE A 20 65.488 11.467 20.214 1.00 15.26 H new ATOM 0 HD11 ILE A 20 61.652 12.364 18.715 1.00 24.60 H new ATOM 0 HD12 ILE A 20 61.537 12.289 20.490 1.00 24.60 H new ATOM 0 HD13 ILE A 20 62.986 12.978 19.721 1.00 24.60 H new ATOM 303 N ARG A 21 62.911 7.507 22.079 1.00 15.18 N ATOM 304 CA ARG A 21 61.842 6.540 22.305 1.00 17.91 C ATOM 305 C ARG A 21 60.891 7.059 23.377 1.00 18.31 C ATOM 306 O ARG A 21 61.331 7.614 24.385 1.00 16.91 O ATOM 307 CB ARG A 21 62.424 5.187 22.726 1.00 17.50 C ATOM 308 CG ARG A 21 63.396 4.598 21.713 1.00 16.96 C ATOM 309 CD ARG A 21 64.099 3.365 22.260 1.00 15.75 C ATOM 310 NE ARG A 21 64.996 3.689 23.371 1.00 17.98 N ATOM 311 CZ ARG A 21 65.923 2.859 23.854 1.00 18.72 C ATOM 312 NH1 ARG A 21 66.079 1.644 23.333 1.00 15.98 N ATOM 313 NH2 ARG A 21 66.695 3.245 24.863 1.00 18.32 N ATOM 0 H ARG A 21 63.494 7.684 22.897 1.00 15.18 H new ATOM 0 HA ARG A 21 61.290 6.404 21.375 1.00 17.91 H new ATOM 0 HB2 ARG A 21 62.935 5.303 23.682 1.00 17.50 H new ATOM 0 HB3 ARG A 21 61.607 4.483 22.884 1.00 17.50 H new ATOM 0 HG2 ARG A 21 62.858 4.336 20.802 1.00 16.96 H new ATOM 0 HG3 ARG A 21 64.138 5.349 21.441 1.00 16.96 H new ATOM 0 HD2 ARG A 21 63.355 2.643 22.595 1.00 15.75 H new ATOM 0 HD3 ARG A 21 64.669 2.889 21.462 1.00 15.75 H new ATOM 0 HE ARG A 21 64.907 4.608 23.804 1.00 17.98 H new ATOM 0 HH11 ARG A 21 65.488 1.341 22.559 1.00 15.98 H new ATOM 0 HH12 ARG A 21 66.790 1.016 23.708 1.00 15.98 H new ATOM 0 HH21 ARG A 21 66.579 4.174 25.267 1.00 18.32 H new ATOM 0 HH22 ARG A 21 67.404 2.612 25.234 1.00 18.32 H new ATOM 327 N VAL A 22 59.589 6.875 23.151 1.00 17.47 N ATOM 328 CA VAL A 22 58.563 7.340 24.088 1.00 15.85 C ATOM 329 C VAL A 22 58.923 7.003 25.535 1.00 16.32 C ATOM 330 O VAL A 22 59.103 5.835 25.882 1.00 16.12 O ATOM 331 CB VAL A 22 57.178 6.733 23.767 1.00 14.89 C ATOM 332 CG1 VAL A 22 56.108 7.329 24.671 1.00 8.42 C ATOM 333 CG2 VAL A 22 56.820 6.941 22.302 1.00 16.01 C ATOM 0 H VAL A 22 59.219 6.406 22.325 1.00 17.47 H new ATOM 0 HA VAL A 22 58.517 8.423 23.972 1.00 15.85 H new ATOM 0 HB VAL A 22 57.227 5.660 23.954 1.00 14.89 H new ATOM 0 HG11 VAL A 22 55.141 6.889 24.429 1.00 8.42 H new ATOM 0 HG12 VAL A 22 56.352 7.118 25.712 1.00 8.42 H new ATOM 0 HG13 VAL A 22 56.064 8.408 24.520 1.00 8.42 H new ATOM 0 HG21 VAL A 22 55.841 6.505 22.101 1.00 16.01 H new ATOM 0 HG22 VAL A 22 56.794 8.008 22.082 1.00 16.01 H new ATOM 0 HG23 VAL A 22 57.568 6.459 21.673 1.00 16.01 H new ATOM 343 N GLY A 23 59.026 8.039 26.369 1.00 15.88 N ATOM 344 CA GLY A 23 59.353 7.843 27.769 1.00 17.17 C ATOM 345 C GLY A 23 60.740 8.335 28.145 1.00 18.82 C ATOM 346 O GLY A 23 61.003 8.596 29.319 1.00 17.98 O ATOM 0 H GLY A 23 58.888 9.012 26.096 1.00 15.88 H new ATOM 0 HA2 GLY A 23 58.615 8.360 28.382 1.00 17.17 H new ATOM 0 HA3 GLY A 23 59.277 6.782 28.006 1.00 17.17 H new ATOM 350 N GLU A 24 61.632 8.471 27.158 1.00 16.59 N ATOM 351 CA GLU A 24 62.996 8.922 27.421 1.00 15.26 C ATOM 352 C GLU A 24 63.054 10.425 27.670 1.00 15.26 C ATOM 353 O GLU A 24 62.198 11.178 27.211 1.00 13.41 O ATOM 354 CB GLU A 24 63.920 8.564 26.253 1.00 15.08 C ATOM 355 CG GLU A 24 64.182 7.075 26.103 1.00 12.07 C ATOM 356 CD GLU A 24 65.312 6.782 25.134 1.00 14.29 C ATOM 357 OE1 GLU A 24 65.047 6.717 23.915 1.00 14.81 O ATOM 358 OE2 GLU A 24 66.463 6.620 25.593 1.00 15.06 O ATOM 0 H GLU A 24 61.433 8.276 26.177 1.00 16.59 H new ATOM 0 HA GLU A 24 63.334 8.410 28.322 1.00 15.26 H new ATOM 0 HB2 GLU A 24 63.482 8.940 25.329 1.00 15.08 H new ATOM 0 HB3 GLU A 24 64.872 9.078 26.386 1.00 15.08 H new ATOM 0 HG2 GLU A 24 64.424 6.651 27.078 1.00 12.07 H new ATOM 0 HG3 GLU A 24 63.273 6.582 25.757 1.00 12.07 H new ATOM 365 N ILE A 25 64.076 10.844 28.408 1.00 15.57 N ATOM 366 CA ILE A 25 64.282 12.254 28.716 1.00 16.69 C ATOM 367 C ILE A 25 65.601 12.735 28.120 1.00 17.86 C ATOM 368 O ILE A 25 66.651 12.127 28.344 1.00 19.05 O ATOM 369 CB ILE A 25 64.280 12.509 30.241 1.00 17.79 C ATOM 370 CG1 ILE A 25 62.919 12.132 30.839 1.00 17.49 C ATOM 371 CG2 ILE A 25 64.613 13.967 30.539 1.00 15.26 C ATOM 372 CD1 ILE A 25 62.853 12.276 32.344 1.00 24.60 C ATOM 0 H ILE A 25 64.779 10.222 28.806 1.00 15.57 H new ATOM 0 HA ILE A 25 63.455 12.811 28.276 1.00 16.69 H new ATOM 0 HB ILE A 25 65.045 11.884 30.701 1.00 17.79 H new ATOM 0 HG12 ILE A 25 62.149 12.758 30.389 1.00 17.49 H new ATOM 0 HG13 ILE A 25 62.688 11.101 30.571 1.00 17.49 H new ATOM 0 HG21 ILE A 25 64.607 14.129 31.617 1.00 15.26 H new ATOM 0 HG22 ILE A 25 65.600 14.203 30.142 1.00 15.26 H new ATOM 0 HG23 ILE A 25 63.870 14.613 30.071 1.00 15.26 H new ATOM 0 HD11 ILE A 25 61.861 11.992 32.694 1.00 24.60 H new ATOM 0 HD12 ILE A 25 63.599 11.629 32.805 1.00 24.60 H new ATOM 0 HD13 ILE A 25 63.052 13.312 32.619 1.00 24.60 H new ATOM 384 N ILE A 26 65.540 13.826 27.364 1.00 17.28 N ATOM 385 CA ILE A 26 66.731 14.382 26.734 0.50 16.69 C ATOM 386 C ILE A 26 67.328 15.485 27.605 1.00 17.06 C ATOM 387 O ILE A 26 66.637 16.436 27.977 1.00 18.52 O ATOM 388 CB ILE A 26 66.444 14.942 25.324 0.50 17.01 C ATOM 389 CG1 ILE A 26 65.789 13.883 24.430 0.50 16.38 C ATOM 390 CG2 ILE A 26 67.735 15.440 24.693 0.50 14.54 C ATOM 391 CD1 ILE A 26 64.306 13.705 24.676 1.00 24.60 C ATOM 0 H ILE A 26 64.681 14.341 27.173 1.00 17.28 H new ATOM 0 HA ILE A 26 67.443 13.563 26.630 0.50 16.69 H new ATOM 0 HB ILE A 26 65.747 15.775 25.421 0.50 17.01 H new ATOM 0 HG12 ILE A 26 65.944 14.156 23.386 0.50 16.38 H new ATOM 0 HG13 ILE A 26 66.291 12.928 24.587 0.50 16.38 H new ATOM 0 HG21 ILE A 26 67.526 15.834 23.698 0.50 14.54 H new ATOM 0 HG22 ILE A 26 68.162 16.228 25.313 0.50 14.54 H new ATOM 0 HG23 ILE A 26 68.444 14.615 24.615 0.50 14.54 H new ATOM 0 HD11 ILE A 26 63.915 12.939 24.006 1.00 24.60 H new ATOM 0 HD12 ILE A 26 64.143 13.400 25.710 1.00 24.60 H new ATOM 0 HD13 ILE A 26 63.791 14.647 24.490 1.00 24.60 H new ATOM 403 N ARG A 27 68.610 15.345 27.931 1.00 18.57 N ATOM 404 CA ARG A 27 69.300 16.312 28.779 1.00 19.72 C ATOM 405 C ARG A 27 69.729 17.550 27.996 1.00 20.30 C ATOM 406 O ARG A 27 70.419 17.447 26.980 1.00 20.29 O ATOM 407 CB ARG A 27 70.522 15.668 29.447 1.00 20.00 C ATOM 408 CG ARG A 27 70.180 14.524 30.396 1.00 20.63 C ATOM 409 CD ARG A 27 69.862 13.238 29.643 1.00 21.55 C ATOM 410 NE ARG A 27 69.657 12.100 30.539 1.00 19.42 N ATOM 411 CZ ARG A 27 69.426 10.854 30.119 1.00 19.92 C ATOM 412 NH1 ARG A 27 69.368 10.578 28.816 1.00 18.94 N ATOM 413 NH2 ARG A 27 69.251 9.878 31.003 1.00 20.17 N ATOM 0 H ARG A 27 69.193 14.569 27.619 1.00 18.57 H new ATOM 0 HA ARG A 27 68.595 16.628 29.547 1.00 19.72 H new ATOM 0 HB2 ARG A 27 71.192 15.296 28.672 1.00 20.00 H new ATOM 0 HB3 ARG A 27 71.067 16.434 29.999 1.00 20.00 H new ATOM 0 HG2 ARG A 27 71.017 14.351 31.073 1.00 20.63 H new ATOM 0 HG3 ARG A 27 69.325 14.806 31.011 1.00 20.63 H new ATOM 0 HD2 ARG A 27 68.967 13.386 29.039 1.00 21.55 H new ATOM 0 HD3 ARG A 27 70.677 13.013 28.955 1.00 21.55 H new ATOM 0 HE ARG A 27 69.693 12.268 31.544 1.00 19.42 H new ATOM 0 HH11 ARG A 27 69.501 11.322 28.131 1.00 18.94 H new ATOM 0 HH12 ARG A 27 69.191 9.623 28.504 1.00 18.94 H new ATOM 0 HH21 ARG A 27 69.293 10.081 32.002 1.00 20.17 H new ATOM 0 HH22 ARG A 27 69.074 8.926 30.683 1.00 20.17 H new ATOM 427 N ASN A 28 69.314 18.720 28.486 1.00 21.66 N ATOM 428 CA ASN A 28 69.653 20.001 27.863 1.00 22.30 C ATOM 429 C ASN A 28 69.116 20.097 26.436 1.00 24.05 C ATOM 430 O ASN A 28 69.881 20.149 25.472 1.00 22.02 O ATOM 431 CB ASN A 28 71.172 20.227 27.876 1.00 22.17 C ATOM 432 CG ASN A 28 71.744 20.346 29.280 1.00 19.53 C ATOM 433 OD1 ASN A 28 71.227 19.757 30.230 1.00 22.18 O ATOM 434 ND2 ASN A 28 72.821 21.113 29.418 1.00 17.78 N ATOM 0 H ASN A 28 68.736 18.806 29.322 1.00 21.66 H new ATOM 0 HA ASN A 28 69.175 20.784 28.452 1.00 22.30 H new ATOM 0 HB2 ASN A 28 71.661 19.401 27.359 1.00 22.17 H new ATOM 0 HB3 ASN A 28 71.403 21.134 27.317 1.00 22.17 H new ATOM 0 HD21 ASN A 28 73.249 21.230 30.336 1.00 17.78 H new ATOM 0 HD22 ASN A 28 73.219 21.584 28.606 1.00 17.78 H new ATOM 441 N VAL A 29 67.792 20.115 26.315 1.00 24.67 N ATOM 442 CA VAL A 29 67.138 20.211 25.014 1.00 24.71 C ATOM 443 C VAL A 29 66.954 21.666 24.594 1.00 26.15 C ATOM 444 O VAL A 29 66.091 22.373 25.120 1.00 24.81 O ATOM 445 CB VAL A 29 65.770 19.506 25.025 1.00 24.09 C ATOM 446 CG1 VAL A 29 65.111 19.581 23.654 1.00 22.48 C ATOM 447 CG2 VAL A 29 65.925 18.063 25.474 1.00 22.75 C ATOM 0 H VAL A 29 67.149 20.064 27.105 1.00 24.67 H new ATOM 0 HA VAL A 29 67.787 19.714 24.293 1.00 24.71 H new ATOM 0 HB VAL A 29 65.122 20.020 25.735 1.00 24.09 H new ATOM 0 HG11 VAL A 29 64.146 19.076 23.686 1.00 22.48 H new ATOM 0 HG12 VAL A 29 64.965 20.625 23.377 1.00 22.48 H new ATOM 0 HG13 VAL A 29 65.750 19.096 22.916 1.00 22.48 H new ATOM 0 HG21 VAL A 29 64.950 17.576 25.477 1.00 22.75 H new ATOM 0 HG22 VAL A 29 66.590 17.538 24.788 1.00 22.75 H new ATOM 0 HG23 VAL A 29 66.346 18.038 26.479 1.00 22.75 H new ATOM 457 N LYS A 30 67.775 22.102 23.643 1.00 28.66 N ATOM 458 CA LYS A 30 67.712 23.468 23.136 1.00 30.94 C ATOM 459 C LYS A 30 67.118 23.488 21.733 1.00 30.52 C ATOM 460 O LYS A 30 67.079 22.463 21.052 1.00 28.63 O ATOM 461 CB LYS A 30 69.109 24.095 23.124 1.00 32.04 C ATOM 462 CG LYS A 30 69.789 24.093 24.485 1.00 36.67 C ATOM 463 CD LYS A 30 71.180 24.701 24.417 1.00 40.00 C ATOM 464 CE LYS A 30 71.872 24.661 25.770 1.00 40.13 C ATOM 465 NZ LYS A 30 73.236 25.254 25.717 1.00 42.51 N ATOM 0 H LYS A 30 68.495 21.526 23.207 1.00 28.66 H new ATOM 0 HA LYS A 30 67.070 24.052 23.796 1.00 30.94 H new ATOM 0 HB2 LYS A 30 69.735 23.554 22.414 1.00 32.04 H new ATOM 0 HB3 LYS A 30 69.034 25.122 22.766 1.00 32.04 H new ATOM 0 HG2 LYS A 30 69.181 24.652 25.197 1.00 36.67 H new ATOM 0 HG3 LYS A 30 69.856 23.071 24.857 1.00 36.67 H new ATOM 0 HD2 LYS A 30 71.779 24.160 23.685 1.00 40.00 H new ATOM 0 HD3 LYS A 30 71.111 25.733 24.073 1.00 40.00 H new ATOM 0 HE2 LYS A 30 71.270 25.201 26.501 1.00 40.13 H new ATOM 0 HE3 LYS A 30 71.939 23.628 26.113 1.00 40.13 H new ATOM 0 HZ1 LYS A 30 73.672 25.206 26.660 1.00 42.51 H new ATOM 0 HZ2 LYS A 30 73.819 24.723 25.039 1.00 42.51 H new ATOM 0 HZ3 LYS A 30 73.171 26.247 25.415 1.00 42.51 H new ATOM 479 N LYS A 31 66.654 24.657 21.306 1.00 31.66 N ATOM 480 CA LYS A 31 66.063 24.799 19.982 1.00 32.46 C ATOM 481 C LYS A 31 67.149 25.034 18.935 1.00 33.31 C ATOM 482 O LYS A 31 68.032 25.874 19.118 1.00 32.74 O ATOM 483 CB LYS A 31 65.049 25.946 19.963 1.00 31.76 C ATOM 484 CG LYS A 31 64.271 26.050 18.658 0.01 32.47 C ATOM 485 CD LYS A 31 63.151 27.075 18.751 0.01 32.64 C ATOM 486 CE LYS A 31 62.062 26.628 19.715 0.01 32.79 C ATOM 487 NZ LYS A 31 60.940 27.608 19.783 0.01 32.84 N ATOM 0 H LYS A 31 66.676 25.516 21.855 1.00 31.66 H new ATOM 0 HA LYS A 31 65.541 23.873 19.740 1.00 32.46 H new ATOM 0 HB2 LYS A 31 64.346 25.812 20.786 1.00 31.76 H new ATOM 0 HB3 LYS A 31 65.572 26.886 20.140 1.00 31.76 H new ATOM 0 HG2 LYS A 31 64.950 26.325 17.851 0.01 32.47 H new ATOM 0 HG3 LYS A 31 63.853 25.076 18.405 0.01 32.47 H new ATOM 0 HD2 LYS A 31 63.558 28.031 19.079 0.01 32.64 H new ATOM 0 HD3 LYS A 31 62.720 27.235 17.763 0.01 32.64 H new ATOM 0 HE2 LYS A 31 61.677 25.657 19.402 0.01 32.79 H new ATOM 0 HE3 LYS A 31 62.489 26.496 20.709 0.01 32.79 H new ATOM 0 HZ1 LYS A 31 60.220 27.265 20.451 0.01 32.84 H new ATOM 0 HZ2 LYS A 31 61.302 28.528 20.106 0.01 32.84 H new ATOM 0 HZ3 LYS A 31 60.515 27.715 18.840 0.01 32.84 H new ATOM 501 N LEU A 32 67.070 24.285 17.839 1.00 34.55 N ATOM 502 CA LEU A 32 68.042 24.392 16.757 1.00 36.08 C ATOM 503 C LEU A 32 67.575 25.416 15.723 1.00 37.71 C ATOM 504 O LEU A 32 66.438 25.892 15.784 1.00 36.52 O ATOM 505 CB LEU A 32 68.230 23.016 16.101 1.00 35.96 C ATOM 506 CG LEU A 32 69.491 22.847 15.248 1.00 33.75 C ATOM 507 CD1 LEU A 32 70.742 23.082 16.082 1.00 31.94 C ATOM 508 CD2 LEU A 32 69.519 21.462 14.621 1.00 31.78 C ATOM 0 H LEU A 32 66.338 23.593 17.677 1.00 34.55 H new ATOM 0 HA LEU A 32 68.996 24.728 17.163 1.00 36.08 H new ATOM 0 HB2 LEU A 32 68.242 22.260 16.886 1.00 35.96 H new ATOM 0 HB3 LEU A 32 67.361 22.812 15.475 1.00 35.96 H new ATOM 0 HG LEU A 32 69.471 23.590 14.451 1.00 33.75 H new ATOM 0 HD11 LEU A 32 71.625 22.957 15.456 1.00 31.94 H new ATOM 0 HD12 LEU A 32 70.725 24.094 16.487 1.00 31.94 H new ATOM 0 HD13 LEU A 32 70.773 22.364 16.901 1.00 31.94 H new ATOM 0 HD21 LEU A 32 70.420 21.354 14.017 1.00 31.78 H new ATOM 0 HD22 LEU A 32 69.516 20.707 15.407 1.00 31.78 H new ATOM 0 HD23 LEU A 32 68.641 21.331 13.989 1.00 31.78 H new ATOM 520 N GLN A 33 68.449 25.753 14.774 1.00 38.97 N ATOM 521 CA GLN A 33 68.103 26.708 13.726 1.00 39.78 C ATOM 522 C GLN A 33 67.216 26.051 12.659 1.00 39.42 C ATOM 523 O GLN A 33 66.786 26.707 11.710 1.00 39.85 O ATOM 524 CB GLN A 33 69.373 27.281 13.086 0.60 40.32 C ATOM 525 CG GLN A 33 69.122 28.496 12.203 0.60 40.38 C ATOM 526 CD GLN A 33 70.404 29.102 11.663 0.60 39.93 C ATOM 527 OE1 GLN A 33 70.996 29.984 12.284 0.60 39.55 O ATOM 528 NE2 GLN A 33 70.841 28.632 10.498 0.60 38.18 N ATOM 0 H GLN A 33 69.396 25.380 14.711 1.00 38.97 H new ATOM 0 HA GLN A 33 67.541 27.524 14.180 1.00 39.78 H new ATOM 0 HB2 GLN A 33 70.074 27.555 13.874 0.60 40.32 H new ATOM 0 HB3 GLN A 33 69.851 26.503 12.490 0.60 40.32 H new ATOM 0 HG2 GLN A 33 68.482 28.208 11.369 0.60 40.38 H new ATOM 0 HG3 GLN A 33 68.581 29.250 12.775 0.60 40.38 H new ATOM 0 HE21 GLN A 33 70.320 27.900 10.016 0.60 38.18 H new ATOM 0 HE22 GLN A 33 71.697 29.004 10.087 0.60 38.18 H new ATOM 537 N GLU A 34 66.939 24.751 12.827 1.00 38.54 N ATOM 538 CA GLU A 34 66.097 24.016 11.899 1.00 36.53 C ATOM 539 C GLU A 34 64.718 23.813 12.510 1.00 35.34 C ATOM 540 O GLU A 34 64.591 23.243 13.597 1.00 34.99 O ATOM 541 CB GLU A 34 66.727 22.662 11.556 1.00 37.22 C ATOM 542 CG GLU A 34 68.100 22.767 10.913 0.50 36.82 C ATOM 543 CD GLU A 34 68.710 21.408 10.621 0.50 36.76 C ATOM 544 OE1 GLU A 34 68.412 20.842 9.549 0.50 36.04 O ATOM 545 OE2 GLU A 34 69.484 20.910 11.465 0.50 37.76 O ATOM 0 H GLU A 34 67.292 24.192 13.604 1.00 38.54 H new ATOM 0 HA GLU A 34 66.002 24.592 10.979 1.00 36.53 H new ATOM 0 HB2 GLU A 34 66.808 22.069 12.467 1.00 37.22 H new ATOM 0 HB3 GLU A 34 66.061 22.123 10.882 1.00 37.22 H new ATOM 0 HG2 GLU A 34 68.021 23.333 9.985 0.50 36.82 H new ATOM 0 HG3 GLU A 34 68.764 23.326 11.572 0.50 36.82 H new ATOM 552 N GLU A 35 63.689 24.287 11.814 1.00 33.27 N ATOM 553 CA GLU A 35 62.319 24.160 12.297 0.50 31.92 C ATOM 554 C GLU A 35 61.943 22.691 12.453 1.00 30.55 C ATOM 555 O GLU A 35 61.933 21.936 11.477 1.00 32.49 O ATOM 556 CB GLU A 35 61.339 24.859 11.347 0.50 32.23 C ATOM 557 CG GLU A 35 61.604 26.348 11.174 0.50 32.26 C ATOM 558 CD GLU A 35 61.546 27.111 12.485 0.50 31.89 C ATOM 559 OE1 GLU A 35 60.445 27.565 12.860 0.50 31.03 O ATOM 560 OE2 GLU A 35 62.604 27.254 13.135 0.50 31.33 O ATOM 0 H GLU A 35 63.778 24.762 10.916 1.00 33.27 H new ATOM 0 HA GLU A 35 62.257 24.644 13.272 0.50 31.92 H new ATOM 0 HB2 GLU A 35 61.387 24.376 10.371 0.50 32.23 H new ATOM 0 HB3 GLU A 35 60.325 24.722 11.721 0.50 32.23 H new ATOM 0 HG2 GLU A 35 62.585 26.488 10.721 0.50 32.26 H new ATOM 0 HG3 GLU A 35 60.871 26.765 10.483 0.50 32.26 H new ATOM 567 N GLY A 36 61.639 22.292 13.686 1.00 28.28 N ATOM 568 CA GLY A 36 61.277 20.914 13.957 1.00 24.78 C ATOM 569 C GLY A 36 62.454 20.076 14.417 1.00 23.68 C ATOM 570 O GLY A 36 62.381 18.847 14.407 1.00 23.56 O ATOM 0 H GLY A 36 61.638 22.902 14.503 1.00 28.28 H new ATOM 0 HA2 GLY A 36 60.500 20.891 14.721 1.00 24.78 H new ATOM 0 HA3 GLY A 36 60.852 20.471 13.056 1.00 24.78 H new ATOM 574 N TRP A 37 63.545 20.735 14.814 1.00 23.14 N ATOM 575 CA TRP A 37 64.731 20.036 15.284 1.00 20.93 C ATOM 576 C TRP A 37 65.246 20.640 16.583 1.00 21.08 C ATOM 577 O TRP A 37 65.379 21.858 16.711 1.00 21.30 O ATOM 578 CB TRP A 37 65.830 20.063 14.219 1.00 20.40 C ATOM 579 CG TRP A 37 65.529 19.186 13.041 1.00 20.90 C ATOM 580 CD1 TRP A 37 65.275 19.588 11.762 1.00 20.96 C ATOM 581 CD2 TRP A 37 65.439 17.757 13.039 1.00 19.62 C ATOM 582 NE1 TRP A 37 65.038 18.497 10.964 1.00 18.59 N ATOM 583 CE2 TRP A 37 65.133 17.360 11.724 1.00 19.33 C ATOM 584 CE3 TRP A 37 65.590 16.774 14.021 1.00 18.84 C ATOM 585 CZ2 TRP A 37 64.975 16.024 11.367 1.00 17.78 C ATOM 586 CZ3 TRP A 37 65.434 15.447 13.664 1.00 19.33 C ATOM 587 CH2 TRP A 37 65.129 15.084 12.347 1.00 21.05 C ATOM 0 H TRP A 37 63.626 21.752 14.817 1.00 23.14 H new ATOM 0 HA TRP A 37 64.452 19.000 15.476 1.00 20.93 H new ATOM 0 HB2 TRP A 37 65.969 21.088 13.875 1.00 20.40 H new ATOM 0 HB3 TRP A 37 66.771 19.747 14.669 1.00 20.40 H new ATOM 0 HD1 TRP A 37 65.262 20.615 11.427 1.00 20.96 H new ATOM 0 HE1 TRP A 37 64.826 18.527 9.967 1.00 18.59 H new ATOM 0 HE3 TRP A 37 65.824 17.046 15.040 1.00 18.84 H new ATOM 0 HZ2 TRP A 37 64.739 15.740 10.352 1.00 17.78 H new ATOM 0 HZ3 TRP A 37 65.549 14.678 14.414 1.00 19.33 H new ATOM 0 HH2 TRP A 37 65.013 14.039 12.100 1.00 21.05 H new ATOM 598 N LEU A 38 65.529 19.766 17.541 1.00 21.83 N ATOM 599 CA LEU A 38 66.039 20.175 18.842 1.00 21.88 C ATOM 600 C LEU A 38 67.418 19.569 19.076 1.00 22.72 C ATOM 601 O LEU A 38 67.799 18.615 18.407 1.00 23.91 O ATOM 602 CB LEU A 38 65.074 19.745 19.953 1.00 21.21 C ATOM 603 CG LEU A 38 63.719 20.459 19.950 1.00 20.69 C ATOM 604 CD1 LEU A 38 62.778 19.821 20.961 1.00 18.49 C ATOM 605 CD2 LEU A 38 63.896 21.940 20.245 1.00 18.88 C ATOM 0 H LEU A 38 65.412 18.758 17.438 1.00 21.83 H new ATOM 0 HA LEU A 38 66.124 21.262 18.859 1.00 21.88 H new ATOM 0 HB2 LEU A 38 64.902 18.672 19.868 1.00 21.21 H new ATOM 0 HB3 LEU A 38 65.555 19.915 20.916 1.00 21.21 H new ATOM 0 HG LEU A 38 63.278 20.357 18.958 1.00 20.69 H new ATOM 0 HD11 LEU A 38 61.820 20.341 20.945 1.00 18.49 H new ATOM 0 HD12 LEU A 38 62.626 18.772 20.705 1.00 18.49 H new ATOM 0 HD13 LEU A 38 63.213 19.892 21.958 1.00 18.49 H new ATOM 0 HD21 LEU A 38 62.923 22.431 20.239 1.00 18.88 H new ATOM 0 HD22 LEU A 38 64.358 22.063 21.224 1.00 18.88 H new ATOM 0 HD23 LEU A 38 64.534 22.389 19.484 1.00 18.88 H new ATOM 617 N GLU A 39 68.157 20.125 20.027 1.00 21.79 N ATOM 618 CA GLU A 39 69.500 19.641 20.342 1.00 23.86 C ATOM 619 C GLU A 39 69.594 19.251 21.813 1.00 21.01 C ATOM 620 O GLU A 39 69.421 20.092 22.695 1.00 19.88 O ATOM 621 CB GLU A 39 70.537 20.721 20.011 1.00 25.80 C ATOM 622 CG GLU A 39 71.981 20.271 20.179 1.00 33.40 C ATOM 623 CD GLU A 39 72.371 19.169 19.211 1.00 39.01 C ATOM 624 OE1 GLU A 39 72.345 19.415 17.985 1.00 41.93 O ATOM 625 OE2 GLU A 39 72.705 18.061 19.677 1.00 43.40 O ATOM 0 H GLU A 39 67.850 20.914 20.597 1.00 21.79 H new ATOM 0 HA GLU A 39 69.705 18.757 19.737 1.00 23.86 H new ATOM 0 HB2 GLU A 39 70.388 21.049 18.982 1.00 25.80 H new ATOM 0 HB3 GLU A 39 70.361 21.586 20.650 1.00 25.80 H new ATOM 0 HG2 GLU A 39 72.642 21.126 20.035 1.00 33.40 H new ATOM 0 HG3 GLU A 39 72.131 19.921 21.200 1.00 33.40 H new ATOM 632 N GLY A 40 69.877 17.975 22.075 1.00 18.22 N ATOM 633 CA GLY A 40 69.970 17.504 23.447 1.00 20.08 C ATOM 634 C GLY A 40 70.701 16.184 23.585 1.00 18.70 C ATOM 635 O GLY A 40 71.013 15.528 22.592 1.00 18.64 O ATOM 0 H GLY A 40 70.043 17.263 21.364 1.00 18.22 H new ATOM 0 HA2 GLY A 40 70.480 18.257 24.047 1.00 20.08 H new ATOM 0 HA3 GLY A 40 68.965 17.398 23.855 1.00 20.08 H new ATOM 639 N GLU A 41 70.977 15.803 24.831 1.00 18.96 N ATOM 640 CA GLU A 41 71.667 14.550 25.126 1.00 20.96 C ATOM 641 C GLU A 41 70.660 13.440 25.405 1.00 20.09 C ATOM 642 O GLU A 41 70.035 13.404 26.467 1.00 19.27 O ATOM 643 CB GLU A 41 72.601 14.724 26.326 1.00 22.24 C ATOM 644 CG GLU A 41 73.629 15.828 26.145 1.00 26.27 C ATOM 645 CD GLU A 41 74.383 16.139 27.422 1.00 30.19 C ATOM 646 OE1 GLU A 41 73.869 16.936 28.236 1.00 32.10 O ATOM 647 OE2 GLU A 41 75.489 15.588 27.609 1.00 29.05 O ATOM 0 H GLU A 41 70.731 16.349 25.657 1.00 18.96 H new ATOM 0 HA GLU A 41 72.262 14.273 24.256 1.00 20.96 H new ATOM 0 HB2 GLU A 41 72.003 14.938 27.212 1.00 22.24 H new ATOM 0 HB3 GLU A 41 73.120 13.783 26.511 1.00 22.24 H new ATOM 0 HG2 GLU A 41 74.338 15.535 25.371 1.00 26.27 H new ATOM 0 HG3 GLU A 41 73.129 16.731 25.794 1.00 26.27 H new ATOM 654 N LEU A 42 70.510 12.538 24.442 1.00 19.56 N ATOM 655 CA LEU A 42 69.580 11.423 24.569 1.00 21.20 C ATOM 656 C LEU A 42 70.312 10.107 24.361 1.00 22.89 C ATOM 657 O LEU A 42 71.051 9.945 23.387 1.00 22.08 O ATOM 658 CB LEU A 42 68.431 11.566 23.563 1.00 18.58 C ATOM 659 CG LEU A 42 67.232 10.631 23.776 1.00 15.91 C ATOM 660 CD1 LEU A 42 67.524 9.239 23.235 1.00 15.01 C ATOM 661 CD2 LEU A 42 66.854 10.561 25.250 1.00 17.47 C ATOM 0 H LEU A 42 71.023 12.558 23.561 1.00 19.56 H new ATOM 0 HA LEU A 42 69.157 11.431 25.574 1.00 21.20 H new ATOM 0 HB2 LEU A 42 68.074 12.595 23.593 1.00 18.58 H new ATOM 0 HB3 LEU A 42 68.827 11.395 22.562 1.00 18.58 H new ATOM 0 HG LEU A 42 66.387 11.041 23.224 1.00 15.91 H new ATOM 0 HD11 LEU A 42 66.659 8.596 23.398 1.00 15.01 H new ATOM 0 HD12 LEU A 42 67.734 9.300 22.167 1.00 15.01 H new ATOM 0 HD13 LEU A 42 68.389 8.822 23.751 1.00 15.01 H new ATOM 0 HD21 LEU A 42 66.002 9.893 25.376 1.00 17.47 H new ATOM 0 HD22 LEU A 42 67.700 10.183 25.825 1.00 17.47 H new ATOM 0 HD23 LEU A 42 66.589 11.557 25.605 1.00 17.47 H new ATOM 673 N ASN A 43 70.104 9.170 25.285 1.00 25.48 N ATOM 674 CA ASN A 43 70.753 7.862 25.221 1.00 26.38 C ATOM 675 C ASN A 43 72.275 7.998 25.356 1.00 29.40 C ATOM 676 O ASN A 43 73.028 7.134 24.898 1.00 30.74 O ATOM 677 CB ASN A 43 70.389 7.153 23.908 1.00 24.64 C ATOM 678 CG ASN A 43 70.751 5.677 23.913 0.50 23.85 C ATOM 679 OD1 ASN A 43 70.714 5.018 24.954 0.50 20.08 O ATOM 680 ND2 ASN A 43 71.103 5.148 22.745 0.50 21.91 N ATOM 0 H ASN A 43 69.489 9.293 26.089 1.00 25.48 H new ATOM 0 HA ASN A 43 70.394 7.260 26.055 1.00 26.38 H new ATOM 0 HB2 ASN A 43 69.319 7.259 23.728 1.00 24.64 H new ATOM 0 HB3 ASN A 43 70.901 7.645 23.081 1.00 24.64 H new ATOM 0 HD21 ASN A 43 71.355 4.161 22.687 0.50 21.91 H new ATOM 0 HD22 ASN A 43 71.121 5.729 21.907 0.50 21.91 H new ATOM 687 N GLY A 44 72.726 9.083 26.001 1.00 31.47 N ATOM 688 CA GLY A 44 74.149 9.305 26.187 1.00 32.96 C ATOM 689 C GLY A 44 74.825 9.906 24.973 1.00 33.01 C ATOM 690 O GLY A 44 76.054 9.914 24.886 1.00 32.58 O ATOM 0 H GLY A 44 72.126 9.808 26.395 1.00 31.47 H new ATOM 0 HA2 GLY A 44 74.298 9.965 27.041 1.00 32.96 H new ATOM 0 HA3 GLY A 44 74.629 8.357 26.429 1.00 32.96 H new ATOM 694 N ARG A 45 74.028 10.410 24.034 1.00 32.71 N ATOM 695 CA ARG A 45 74.561 11.014 22.825 1.00 32.86 C ATOM 696 C ARG A 45 73.920 12.372 22.573 1.00 31.58 C ATOM 697 O ARG A 45 72.717 12.549 22.770 1.00 31.44 O ATOM 698 CB ARG A 45 74.321 10.093 21.625 1.00 33.41 C ATOM 699 CG ARG A 45 75.013 10.552 20.349 1.00 36.02 C ATOM 700 CD ARG A 45 74.590 9.715 19.151 1.00 39.71 C ATOM 701 NE ARG A 45 74.889 8.294 19.334 1.00 41.97 N ATOM 702 CZ ARG A 45 74.325 7.312 18.624 1.00 44.26 C ATOM 703 NH1 ARG A 45 73.440 7.588 17.667 1.00 45.68 N ATOM 704 NH2 ARG A 45 74.651 6.048 18.869 1.00 44.83 N ATOM 0 H ARG A 45 73.010 10.410 24.091 1.00 32.71 H new ATOM 0 HA ARG A 45 75.634 11.156 22.958 1.00 32.86 H new ATOM 0 HB2 ARG A 45 74.667 9.090 21.874 1.00 33.41 H new ATOM 0 HB3 ARG A 45 73.249 10.024 21.441 1.00 33.41 H new ATOM 0 HG2 ARG A 45 74.777 11.600 20.163 1.00 36.02 H new ATOM 0 HG3 ARG A 45 76.094 10.486 20.476 1.00 36.02 H new ATOM 0 HD2 ARG A 45 73.520 9.840 18.982 1.00 39.71 H new ATOM 0 HD3 ARG A 45 75.098 10.079 18.258 1.00 39.71 H new ATOM 0 HE ARG A 45 75.570 8.037 20.048 1.00 41.97 H new ATOM 0 HH11 ARG A 45 73.187 8.556 17.470 1.00 45.68 H new ATOM 0 HH12 ARG A 45 73.016 6.831 17.131 1.00 45.68 H new ATOM 0 HH21 ARG A 45 75.330 5.829 19.598 1.00 44.83 H new ATOM 0 HH22 ARG A 45 74.222 5.297 18.329 1.00 44.83 H new ATOM 718 N ARG A 46 74.731 13.325 22.128 1.00 29.31 N ATOM 719 CA ARG A 46 74.246 14.664 21.831 1.00 28.15 C ATOM 720 C ARG A 46 73.843 14.717 20.364 1.00 25.89 C ATOM 721 O ARG A 46 74.692 14.595 19.477 1.00 24.31 O ATOM 722 CB ARG A 46 75.329 15.706 22.139 1.00 29.02 C ATOM 723 CG ARG A 46 74.959 17.126 21.731 1.00 33.26 C ATOM 724 CD ARG A 46 73.827 17.686 22.580 1.00 34.98 C ATOM 725 NE ARG A 46 74.269 18.032 23.931 1.00 37.59 N ATOM 726 CZ ARG A 46 73.639 18.903 24.726 1.00 37.81 C ATOM 727 NH1 ARG A 46 72.534 19.519 24.313 1.00 35.42 N ATOM 728 NH2 ARG A 46 74.118 19.159 25.938 1.00 38.71 N ATOM 0 H ARG A 46 75.729 13.193 21.965 1.00 29.31 H new ATOM 0 HA ARG A 46 73.382 14.894 22.454 1.00 28.15 H new ATOM 0 HB2 ARG A 46 75.540 15.690 23.208 1.00 29.02 H new ATOM 0 HB3 ARG A 46 76.249 15.421 21.628 1.00 29.02 H new ATOM 0 HG2 ARG A 46 75.834 17.769 21.823 1.00 33.26 H new ATOM 0 HG3 ARG A 46 74.665 17.137 20.682 1.00 33.26 H new ATOM 0 HD2 ARG A 46 73.416 18.572 22.096 1.00 34.98 H new ATOM 0 HD3 ARG A 46 73.023 16.953 22.639 1.00 34.98 H new ATOM 0 HE ARG A 46 75.111 17.580 24.289 1.00 37.59 H new ATOM 0 HH11 ARG A 46 72.161 19.328 23.383 1.00 35.42 H new ATOM 0 HH12 ARG A 46 72.060 20.182 24.926 1.00 35.42 H new ATOM 0 HH21 ARG A 46 74.965 18.691 26.261 1.00 38.71 H new ATOM 0 HH22 ARG A 46 73.639 19.823 26.546 1.00 38.71 H new ATOM 742 N GLY A 47 72.551 14.896 20.106 1.00 23.54 N ATOM 743 CA GLY A 47 72.082 14.920 18.736 1.00 20.18 C ATOM 744 C GLY A 47 70.845 15.766 18.523 1.00 18.28 C ATOM 745 O GLY A 47 70.422 16.510 19.411 1.00 15.10 O ATOM 0 H GLY A 47 71.828 15.023 20.814 1.00 23.54 H new ATOM 0 HA2 GLY A 47 72.881 15.295 18.096 1.00 20.18 H new ATOM 0 HA3 GLY A 47 71.871 13.899 18.417 1.00 20.18 H new ATOM 749 N MET A 48 70.256 15.631 17.338 1.00 19.75 N ATOM 750 CA MET A 48 69.067 16.388 16.976 1.00 24.37 C ATOM 751 C MET A 48 67.857 15.466 16.858 1.00 21.67 C ATOM 752 O MET A 48 67.954 14.366 16.314 1.00 23.42 O ATOM 753 CB MET A 48 69.292 17.135 15.659 1.00 23.84 C ATOM 754 CG MET A 48 70.505 18.053 15.677 1.00 29.41 C ATOM 755 SD MET A 48 70.922 18.685 14.041 1.00 32.83 S ATOM 756 CE MET A 48 72.442 19.563 14.399 1.00 33.81 C ATOM 0 H MET A 48 70.588 14.999 16.609 1.00 19.75 H new ATOM 0 HA MET A 48 68.871 17.116 17.764 1.00 24.37 H new ATOM 0 HB2 MET A 48 69.409 16.409 14.855 1.00 23.84 H new ATOM 0 HB3 MET A 48 68.404 17.725 15.430 1.00 23.84 H new ATOM 0 HG2 MET A 48 70.312 18.891 16.347 1.00 29.41 H new ATOM 0 HG3 MET A 48 71.360 17.511 16.082 1.00 29.41 H new ATOM 0 HE1 MET A 48 72.827 20.012 13.484 1.00 33.81 H new ATOM 0 HE2 MET A 48 72.246 20.345 15.133 1.00 33.81 H new ATOM 0 HE3 MET A 48 73.179 18.867 14.799 1.00 33.81 H new ATOM 766 N PHE A 49 66.716 15.927 17.363 1.00 19.37 N ATOM 767 CA PHE A 49 65.487 15.136 17.333 1.00 19.28 C ATOM 768 C PHE A 49 64.272 16.008 17.024 1.00 17.06 C ATOM 769 O PHE A 49 64.270 17.207 17.307 1.00 14.70 O ATOM 770 CB PHE A 49 65.289 14.423 18.675 1.00 18.38 C ATOM 771 CG PHE A 49 65.656 15.275 19.858 1.00 19.54 C ATOM 772 CD1 PHE A 49 66.971 15.350 20.284 1.00 18.95 C ATOM 773 CD2 PHE A 49 64.693 16.009 20.532 1.00 21.48 C ATOM 774 CE1 PHE A 49 67.320 16.138 21.359 1.00 17.87 C ATOM 775 CE2 PHE A 49 65.039 16.802 21.609 1.00 20.51 C ATOM 776 CZ PHE A 49 66.354 16.866 22.022 1.00 18.61 C ATOM 0 H PHE A 49 66.616 16.844 17.798 1.00 19.37 H new ATOM 0 HA PHE A 49 65.583 14.396 16.539 1.00 19.28 H new ATOM 0 HB2 PHE A 49 64.247 14.116 18.766 1.00 18.38 H new ATOM 0 HB3 PHE A 49 65.891 13.515 18.689 1.00 18.38 H new ATOM 0 HD1 PHE A 49 67.732 14.784 19.768 1.00 18.95 H new ATOM 0 HD2 PHE A 49 63.663 15.961 20.212 1.00 21.48 H new ATOM 0 HE1 PHE A 49 68.349 16.186 21.682 1.00 17.87 H new ATOM 0 HE2 PHE A 49 64.281 17.371 22.127 1.00 20.51 H new ATOM 0 HZ PHE A 49 66.627 17.486 22.864 1.00 18.61 H new ATOM 786 N PRO A 50 63.219 15.406 16.436 1.00 18.64 N ATOM 787 CA PRO A 50 61.987 16.121 16.085 1.00 17.68 C ATOM 788 C PRO A 50 61.378 16.866 17.274 1.00 17.04 C ATOM 789 O PRO A 50 61.291 16.330 18.381 1.00 17.64 O ATOM 790 CB PRO A 50 61.039 15.016 15.597 1.00 18.09 C ATOM 791 CG PRO A 50 61.674 13.729 16.006 1.00 15.45 C ATOM 792 CD PRO A 50 63.149 13.987 16.059 1.00 16.48 C ATOM 0 HA PRO A 50 62.175 16.891 15.337 1.00 17.68 H new ATOM 0 HB2 PRO A 50 60.050 15.124 16.043 1.00 18.09 H new ATOM 0 HB3 PRO A 50 60.908 15.062 14.516 1.00 18.09 H new ATOM 0 HG2 PRO A 50 61.301 13.403 16.977 1.00 15.45 H new ATOM 0 HG3 PRO A 50 61.443 12.937 15.293 1.00 15.45 H new ATOM 0 HD2 PRO A 50 63.645 13.349 16.791 1.00 16.48 H new ATOM 0 HD3 PRO A 50 63.627 13.800 15.097 1.00 16.48 H new ATOM 800 N ASP A 51 60.958 18.106 17.025 1.00 18.08 N ATOM 801 CA ASP A 51 60.364 18.954 18.060 1.00 21.32 C ATOM 802 C ASP A 51 59.000 18.431 18.521 1.00 20.86 C ATOM 803 O ASP A 51 58.679 18.499 19.708 1.00 22.92 O ATOM 804 CB ASP A 51 60.226 20.392 17.546 1.00 20.97 C ATOM 805 CG ASP A 51 59.746 21.352 18.618 1.00 24.99 C ATOM 806 OD1 ASP A 51 60.594 21.868 19.377 1.00 25.32 O ATOM 807 OD2 ASP A 51 58.522 21.587 18.701 1.00 24.50 O ATOM 0 H ASP A 51 61.019 18.549 16.108 1.00 18.08 H new ATOM 0 HA ASP A 51 61.032 18.934 18.921 1.00 21.32 H new ATOM 0 HB2 ASP A 51 61.189 20.731 17.165 1.00 20.97 H new ATOM 0 HB3 ASP A 51 59.528 20.409 16.709 1.00 20.97 H new ATOM 812 N ASN A 52 58.202 17.910 17.583 1.00 21.11 N ATOM 813 CA ASN A 52 56.868 17.395 17.911 1.00 22.93 C ATOM 814 C ASN A 52 56.907 15.967 18.480 1.00 22.66 C ATOM 815 O ASN A 52 55.857 15.363 18.712 1.00 22.72 O ATOM 816 CB ASN A 52 55.960 17.448 16.675 1.00 22.50 C ATOM 817 CG ASN A 52 56.379 16.473 15.590 1.00 24.81 C ATOM 818 OD1 ASN A 52 57.251 16.772 14.773 1.00 25.56 O ATOM 819 ND2 ASN A 52 55.751 15.301 15.572 1.00 22.94 N ATOM 0 H ASN A 52 58.454 17.834 16.598 1.00 21.11 H new ATOM 0 HA ASN A 52 56.462 18.038 18.692 1.00 22.93 H new ATOM 0 HB2 ASN A 52 54.935 17.231 16.975 1.00 22.50 H new ATOM 0 HB3 ASN A 52 55.966 18.460 16.269 1.00 22.50 H new ATOM 0 HD21 ASN A 52 55.986 14.608 14.862 1.00 22.94 H new ATOM 0 HD22 ASN A 52 55.035 15.095 16.269 1.00 22.94 H new ATOM 826 N PHE A 53 58.109 15.432 18.710 1.00 21.55 N ATOM 827 CA PHE A 53 58.265 14.087 19.261 1.00 20.71 C ATOM 828 C PHE A 53 58.619 14.152 20.744 1.00 21.87 C ATOM 829 O PHE A 53 58.374 13.203 21.486 1.00 21.91 O ATOM 830 CB PHE A 53 59.342 13.315 18.498 1.00 20.11 C ATOM 831 CG PHE A 53 58.843 12.653 17.243 1.00 19.57 C ATOM 832 CD1 PHE A 53 58.335 13.408 16.196 1.00 17.93 C ATOM 833 CD2 PHE A 53 58.891 11.275 17.107 1.00 17.81 C ATOM 834 CE1 PHE A 53 57.885 12.799 15.041 1.00 17.12 C ATOM 835 CE2 PHE A 53 58.440 10.662 15.954 1.00 15.91 C ATOM 836 CZ PHE A 53 57.936 11.426 14.919 1.00 18.05 C ATOM 0 H PHE A 53 58.989 15.912 18.522 1.00 21.55 H new ATOM 0 HA PHE A 53 57.316 13.563 19.151 1.00 20.71 H new ATOM 0 HB2 PHE A 53 60.151 13.998 18.240 1.00 20.11 H new ATOM 0 HB3 PHE A 53 59.765 12.555 19.155 1.00 20.11 H new ATOM 0 HD1 PHE A 53 58.291 14.483 16.285 1.00 17.93 H new ATOM 0 HD2 PHE A 53 59.286 10.673 17.912 1.00 17.81 H new ATOM 0 HE1 PHE A 53 57.493 13.398 14.233 1.00 17.12 H new ATOM 0 HE2 PHE A 53 58.481 9.587 15.862 1.00 15.91 H new ATOM 0 HZ PHE A 53 57.583 10.949 14.017 1.00 18.05 H new ATOM 846 N VAL A 54 59.215 15.270 21.161 1.00 20.47 N ATOM 847 CA VAL A 54 59.585 15.475 22.553 1.00 19.01 C ATOM 848 C VAL A 54 58.810 16.651 23.142 1.00 19.31 C ATOM 849 O VAL A 54 58.652 17.689 22.496 1.00 17.80 O ATOM 850 CB VAL A 54 61.100 15.730 22.711 1.00 19.69 C ATOM 851 CG1 VAL A 54 61.895 14.496 22.312 1.00 15.47 C ATOM 852 CG2 VAL A 54 61.537 16.938 21.893 1.00 16.35 C ATOM 0 H VAL A 54 59.451 16.049 20.546 1.00 20.47 H new ATOM 0 HA VAL A 54 59.333 14.562 23.092 1.00 19.01 H new ATOM 0 HB VAL A 54 61.300 15.943 23.761 1.00 19.69 H new ATOM 0 HG11 VAL A 54 62.960 14.695 22.430 1.00 15.47 H new ATOM 0 HG12 VAL A 54 61.610 13.658 22.948 1.00 15.47 H new ATOM 0 HG13 VAL A 54 61.685 14.249 21.271 1.00 15.47 H new ATOM 0 HG21 VAL A 54 62.608 17.096 22.021 1.00 16.35 H new ATOM 0 HG22 VAL A 54 61.320 16.762 20.839 1.00 16.35 H new ATOM 0 HG23 VAL A 54 60.996 17.822 22.232 1.00 16.35 H new ATOM 862 N LYS A 55 58.325 16.478 24.367 1.00 19.27 N ATOM 863 CA LYS A 55 57.563 17.520 25.044 1.00 21.49 C ATOM 864 C LYS A 55 58.358 18.080 26.218 1.00 23.86 C ATOM 865 O LYS A 55 58.858 17.322 27.050 1.00 23.57 O ATOM 866 CB LYS A 55 56.221 16.965 25.529 1.00 21.82 C ATOM 867 CG LYS A 55 55.285 18.022 26.095 1.00 22.17 C ATOM 868 CD LYS A 55 53.945 17.426 26.501 1.00 20.83 C ATOM 869 CE LYS A 55 53.197 16.855 25.304 1.00 24.52 C ATOM 870 NZ LYS A 55 51.876 16.285 25.692 1.00 24.40 N ATOM 0 H LYS A 55 58.447 15.624 24.912 1.00 19.27 H new ATOM 0 HA LYS A 55 57.372 18.327 24.337 1.00 21.49 H new ATOM 0 HB2 LYS A 55 55.725 16.462 24.698 1.00 21.82 H new ATOM 0 HB3 LYS A 55 56.406 16.211 26.294 1.00 21.82 H new ATOM 0 HG2 LYS A 55 55.750 18.495 26.960 1.00 22.17 H new ATOM 0 HG3 LYS A 55 55.126 18.803 25.352 1.00 22.17 H new ATOM 0 HD2 LYS A 55 54.105 16.640 27.239 1.00 20.83 H new ATOM 0 HD3 LYS A 55 53.335 18.193 26.979 1.00 20.83 H new ATOM 0 HE2 LYS A 55 53.050 17.639 24.561 1.00 24.52 H new ATOM 0 HE3 LYS A 55 53.802 16.080 24.834 1.00 24.52 H new ATOM 0 HZ1 LYS A 55 51.400 15.907 24.848 1.00 24.40 H new ATOM 0 HZ2 LYS A 55 52.017 15.520 26.382 1.00 24.40 H new ATOM 0 HZ3 LYS A 55 51.288 17.030 26.117 1.00 24.40 H new ATOM 884 N GLU A 56 58.476 19.406 26.275 1.00 24.78 N ATOM 885 CA GLU A 56 59.219 20.060 27.350 1.00 27.68 C ATOM 886 C GLU A 56 58.767 19.551 28.715 1.00 27.45 C ATOM 887 O GLU A 56 57.579 19.300 28.935 1.00 29.34 O ATOM 888 CB GLU A 56 59.068 21.587 27.266 1.00 29.40 C ATOM 889 CG GLU A 56 57.647 22.096 27.483 1.00 32.23 C ATOM 890 CD GLU A 56 57.266 22.194 28.951 1.00 32.36 C ATOM 891 OE1 GLU A 56 58.059 22.755 29.738 1.00 34.64 O ATOM 892 OE2 GLU A 56 56.174 21.707 29.315 1.00 36.50 O ATOM 0 H GLU A 56 58.069 20.045 25.593 1.00 24.78 H new ATOM 0 HA GLU A 56 60.273 19.812 27.228 1.00 27.68 H new ATOM 0 HB2 GLU A 56 59.722 22.045 28.008 1.00 29.40 H new ATOM 0 HB3 GLU A 56 59.414 21.920 26.288 1.00 29.40 H new ATOM 0 HG2 GLU A 56 57.545 23.078 27.021 1.00 32.23 H new ATOM 0 HG3 GLU A 56 56.948 21.431 26.976 1.00 32.23 H new ATOM 899 N ILE A 57 59.723 19.385 29.623 1.00 28.44 N ATOM 900 CA ILE A 57 59.425 18.901 30.965 1.00 27.11 C ATOM 901 C ILE A 57 59.256 20.069 31.937 1.00 29.50 C ATOM 902 O ILE A 57 60.223 20.531 32.549 1.00 28.05 O ATOM 903 CB ILE A 57 60.528 17.948 31.481 1.00 26.77 C ATOM 904 CG1 ILE A 57 60.737 16.796 30.492 1.00 25.02 C ATOM 905 CG2 ILE A 57 60.168 17.409 32.860 1.00 23.48 C ATOM 906 CD1 ILE A 57 61.892 15.886 30.852 1.00 24.60 C ATOM 0 H ILE A 57 60.710 19.579 29.454 1.00 28.44 H new ATOM 0 HA ILE A 57 58.489 18.345 30.909 1.00 27.11 H new ATOM 0 HB ILE A 57 61.459 18.508 31.566 1.00 26.77 H new ATOM 0 HG12 ILE A 57 59.823 16.204 30.439 1.00 25.02 H new ATOM 0 HG13 ILE A 57 60.908 17.209 29.498 1.00 25.02 H new ATOM 0 HG21 ILE A 57 60.956 16.740 33.206 1.00 23.48 H new ATOM 0 HG22 ILE A 57 60.063 18.239 33.559 1.00 23.48 H new ATOM 0 HG23 ILE A 57 59.227 16.862 32.802 1.00 23.48 H new ATOM 0 HD11 ILE A 57 61.978 15.095 30.107 1.00 24.60 H new ATOM 0 HD12 ILE A 57 62.816 16.463 30.877 1.00 24.60 H new ATOM 0 HD13 ILE A 57 61.715 15.443 31.832 1.00 24.60 H new ATOM 918 N LYS A 58 58.019 20.552 32.055 1.00 30.67 N ATOM 919 CA LYS A 58 57.708 21.666 32.949 1.00 34.32 C ATOM 920 C LYS A 58 57.815 21.236 34.414 1.00 33.94 C ATOM 921 O LYS A 58 56.957 20.449 34.870 1.00 34.32 O ATOM 922 CB LYS A 58 56.305 22.215 32.658 1.00 33.25 C ATOM 923 CG LYS A 58 55.922 23.412 33.517 1.00 34.92 C ATOM 924 CD LYS A 58 56.861 24.591 33.297 1.00 37.93 C ATOM 925 CE LYS A 58 56.752 25.143 31.883 1.00 41.50 C ATOM 926 NZ LYS A 58 57.684 26.282 31.654 1.00 44.29 N ATOM 927 OXT LYS A 58 58.760 21.689 35.093 1.00 24.60 O ATOM 0 H LYS A 58 57.216 20.188 31.542 1.00 30.67 H new ATOM 0 HA LYS A 58 58.437 22.456 32.769 1.00 34.32 H new ATOM 0 HB2 LYS A 58 56.248 22.500 31.608 1.00 33.25 H new ATOM 0 HB3 LYS A 58 55.575 21.420 32.813 1.00 33.25 H new ATOM 0 HG2 LYS A 58 54.900 23.713 33.286 1.00 34.92 H new ATOM 0 HG3 LYS A 58 55.939 23.125 34.568 1.00 34.92 H new ATOM 0 HD2 LYS A 58 56.630 25.379 34.014 1.00 37.93 H new ATOM 0 HD3 LYS A 58 57.888 24.279 33.487 1.00 37.93 H new ATOM 0 HE2 LYS A 58 56.967 24.350 31.167 1.00 41.50 H new ATOM 0 HE3 LYS A 58 55.728 25.470 31.700 1.00 41.50 H new ATOM 0 HZ1 LYS A 58 57.577 26.627 30.679 1.00 44.29 H new ATOM 0 HZ2 LYS A 58 57.464 27.050 32.320 1.00 44.29 H new ATOM 0 HZ3 LYS A 58 58.663 25.965 31.803 1.00 44.29 H new