USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 33 ASN : amide:sc= -0.139 X(o=-0.14,f=0.027) USER MOD Set 2.1: A 12 LYS NZ :NH3+ 164:sc= -0.347 (180deg=-0.821) USER MOD Set 2.2: A 14 ASN : amide:sc= -1.5 K(o=-1.8,f=-7.3!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.751 K(o=-0.75,f=-1.6) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 180:sc= -1.38 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.01 K(o=-0.01,f=-1.7!) USER MOD Single : A 25 ASN : amide:sc= -0.0483 K(o=-0.048,f=-1.5!) USER MOD Single : A 29 HIS : no HD1:sc= -0.0212 X(o=-0.021,f=-0.021) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.348 K(o=-0.35,f=-4.5!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.597 USER MOD Single : A 42 ASN : amide:sc= -0.254 K(o=-0.25,f=-4.6!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.628 USER MOD Single : A 46 ASN : amide:sc= -0.701 K(o=-0.7,f=-5.4!) USER MOD Single : A 47 THR OG1 : rot 84:sc= 0.0881 USER MOD Single : A 48 TYR OH : rot 30:sc=-0.00644 USER MOD Single : A 50 LYS NZ :NH3+ -152:sc= -0.24 (180deg=-1.11) USER MOD Single : A 52 ASN : amide:sc= -0.239 X(o=-0.24,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -166:sc= -0.0139 (180deg=-0.259) USER MOD Single : A 63 ASN : amide:sc= -1.61 K(o=-1.6,f=-5.9!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N ILE A 3 0.668 0.052 2.133 1.00 0.00 N ATOM 32 CA ILE A 3 1.326 1.185 1.495 1.00 0.00 C ATOM 33 C ILE A 3 2.749 0.819 1.087 1.00 0.00 C ATOM 34 O ILE A 3 3.497 0.230 1.868 1.00 0.00 O ATOM 35 CB ILE A 3 1.355 2.378 2.452 1.00 0.00 C ATOM 36 CG1 ILE A 3 1.901 3.608 1.721 1.00 0.00 C ATOM 37 CG2 ILE A 3 2.257 2.054 3.645 1.00 0.00 C ATOM 38 CD1 ILE A 3 0.878 4.090 0.690 1.00 0.00 C ATOM 0 HA ILE A 3 0.763 1.452 0.600 1.00 0.00 H new ATOM 0 HB ILE A 3 0.344 2.583 2.805 1.00 0.00 H new ATOM 0 HG12 ILE A 3 2.114 4.403 2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.841 3.362 1.228 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.278 2.904 4.327 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.869 1.179 4.167 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.267 1.848 3.292 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.269 4.965 0.171 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.687 3.296 -0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.052 4.353 1.195 1.00 0.00 H new ATOM 50 N GLU A 4 3.116 1.172 -0.140 1.00 0.00 N ATOM 51 CA GLU A 4 4.453 0.875 -0.642 1.00 0.00 C ATOM 52 C GLU A 4 5.510 1.585 0.196 1.00 0.00 C ATOM 53 O GLU A 4 5.190 2.438 1.024 1.00 0.00 O ATOM 54 CB GLU A 4 4.573 1.318 -2.101 1.00 0.00 C ATOM 55 CG GLU A 4 4.384 2.834 -2.191 1.00 0.00 C ATOM 56 CD GLU A 4 4.460 3.283 -3.646 1.00 0.00 C ATOM 57 OE1 GLU A 4 4.362 2.431 -4.514 1.00 0.00 O ATOM 58 OE2 GLU A 4 4.618 4.472 -3.871 1.00 0.00 O ATOM 0 H GLU A 4 2.512 1.660 -0.801 1.00 0.00 H new ATOM 0 HA GLU A 4 4.615 -0.201 -0.575 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.549 1.038 -2.498 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.824 0.811 -2.709 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.421 3.115 -1.765 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.151 3.340 -1.605 1.00 0.00 H new ATOM 65 N SER A 5 6.771 1.228 -0.024 1.00 0.00 N ATOM 66 CA SER A 5 7.868 1.839 0.718 1.00 0.00 C ATOM 67 C SER A 5 7.900 3.345 0.480 1.00 0.00 C ATOM 68 O SER A 5 7.603 3.816 -0.618 1.00 0.00 O ATOM 69 CB SER A 5 9.198 1.223 0.283 1.00 0.00 C ATOM 70 OG SER A 5 9.192 -0.167 0.578 1.00 0.00 O ATOM 0 H SER A 5 7.057 0.524 -0.705 1.00 0.00 H new ATOM 0 HA SER A 5 7.713 1.653 1.781 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.352 1.379 -0.785 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.024 1.712 0.799 1.00 0.00 H new ATOM 0 HG SER A 5 10.043 -0.564 0.298 1.00 0.00 H new ATOM 76 N HIS A 6 8.262 4.095 1.515 1.00 0.00 N ATOM 77 CA HIS A 6 8.328 5.549 1.406 1.00 0.00 C ATOM 78 C HIS A 6 9.715 6.006 0.953 1.00 0.00 C ATOM 79 O HIS A 6 10.022 7.198 0.989 1.00 0.00 O ATOM 80 CB HIS A 6 7.997 6.188 2.755 1.00 0.00 C ATOM 81 CG HIS A 6 8.966 5.696 3.795 1.00 0.00 C ATOM 82 ND1 HIS A 6 10.246 6.213 3.915 1.00 0.00 N ATOM 83 CD2 HIS A 6 8.857 4.735 4.769 1.00 0.00 C ATOM 84 CE1 HIS A 6 10.851 5.567 4.929 1.00 0.00 C ATOM 85 NE2 HIS A 6 10.048 4.656 5.485 1.00 0.00 N ATOM 0 H HIS A 6 8.512 3.725 2.432 1.00 0.00 H new ATOM 0 HA HIS A 6 7.599 5.865 0.660 1.00 0.00 H new ATOM 0 HB2 HIS A 6 8.050 7.274 2.678 1.00 0.00 H new ATOM 0 HB3 HIS A 6 6.977 5.939 3.047 1.00 0.00 H new ATOM 0 HD2 HIS A 6 7.980 4.132 4.952 1.00 0.00 H new ATOM 0 HE1 HIS A 6 11.863 5.762 5.254 1.00 0.00 H new ATOM 0 HE2 HIS A 6 10.262 4.036 6.266 1.00 0.00 H new ATOM 94 N GLN A 7 10.552 5.062 0.527 1.00 0.00 N ATOM 95 CA GLN A 7 11.896 5.401 0.074 1.00 0.00 C ATOM 96 C GLN A 7 11.834 6.179 -1.236 1.00 0.00 C ATOM 97 O GLN A 7 11.197 5.746 -2.196 1.00 0.00 O ATOM 98 CB GLN A 7 12.720 4.126 -0.124 1.00 0.00 C ATOM 99 CG GLN A 7 14.185 4.496 -0.364 1.00 0.00 C ATOM 100 CD GLN A 7 15.016 3.232 -0.565 1.00 0.00 C ATOM 101 OE1 GLN A 7 14.583 2.307 -1.251 1.00 0.00 O ATOM 102 NE2 GLN A 7 16.190 3.138 -0.005 1.00 0.00 N ATOM 0 H GLN A 7 10.326 4.068 0.487 1.00 0.00 H new ATOM 0 HA GLN A 7 12.371 6.023 0.833 1.00 0.00 H new ATOM 0 HB2 GLN A 7 12.635 3.486 0.754 1.00 0.00 H new ATOM 0 HB3 GLN A 7 12.334 3.559 -0.971 1.00 0.00 H new ATOM 0 HG2 GLN A 7 14.268 5.139 -1.241 1.00 0.00 H new ATOM 0 HG3 GLN A 7 14.569 5.063 0.484 1.00 0.00 H new ATOM 0 HE21 GLN A 7 16.547 3.906 0.563 1.00 0.00 H new ATOM 0 HE22 GLN A 7 16.751 2.296 -0.135 1.00 0.00 H new ATOM 111 N VAL A 8 12.496 7.331 -1.268 1.00 0.00 N ATOM 112 CA VAL A 8 12.505 8.162 -2.467 1.00 0.00 C ATOM 113 C VAL A 8 13.917 8.657 -2.766 1.00 0.00 C ATOM 114 O VAL A 8 14.674 8.991 -1.855 1.00 0.00 O ATOM 115 CB VAL A 8 11.573 9.360 -2.277 1.00 0.00 C ATOM 116 CG1 VAL A 8 12.068 10.214 -1.108 1.00 0.00 C ATOM 117 CG2 VAL A 8 11.562 10.204 -3.554 1.00 0.00 C ATOM 0 H VAL A 8 13.029 7.708 -0.485 1.00 0.00 H new ATOM 0 HA VAL A 8 12.158 7.560 -3.307 1.00 0.00 H new ATOM 0 HB VAL A 8 10.565 9.004 -2.065 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.403 11.067 -0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 8 12.077 9.614 -0.198 1.00 0.00 H new ATOM 0 HG13 VAL A 8 13.077 10.570 -1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.898 11.058 -3.420 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.571 10.558 -3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.209 9.597 -4.388 1.00 0.00 H new ATOM 127 N GLU A 9 14.262 8.703 -4.050 1.00 0.00 N ATOM 128 CA GLU A 9 15.586 9.161 -4.458 1.00 0.00 C ATOM 129 C GLU A 9 15.470 10.390 -5.353 1.00 0.00 C ATOM 130 O GLU A 9 14.438 10.614 -5.986 1.00 0.00 O ATOM 131 CB GLU A 9 16.333 8.047 -5.201 1.00 0.00 C ATOM 132 CG GLU A 9 15.343 7.174 -5.979 1.00 0.00 C ATOM 133 CD GLU A 9 14.509 8.037 -6.919 1.00 0.00 C ATOM 134 OE1 GLU A 9 15.094 8.830 -7.639 1.00 0.00 O ATOM 135 OE2 GLU A 9 13.297 7.894 -6.905 1.00 0.00 O ATOM 0 H GLU A 9 13.649 8.431 -4.819 1.00 0.00 H new ATOM 0 HA GLU A 9 16.147 9.426 -3.562 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.062 8.481 -5.885 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.888 7.435 -4.490 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.883 6.419 -6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.691 6.644 -5.285 1.00 0.00 H new ATOM 142 N LYS A 10 16.532 11.187 -5.396 1.00 0.00 N ATOM 143 CA LYS A 10 16.533 12.394 -6.212 1.00 0.00 C ATOM 144 C LYS A 10 17.875 12.575 -6.911 1.00 0.00 C ATOM 145 O LYS A 10 18.883 12.000 -6.502 1.00 0.00 O ATOM 146 CB LYS A 10 16.247 13.614 -5.334 1.00 0.00 C ATOM 147 CG LYS A 10 17.466 13.905 -4.455 1.00 0.00 C ATOM 148 CD LYS A 10 17.060 14.829 -3.305 1.00 0.00 C ATOM 149 CE LYS A 10 18.290 15.153 -2.454 1.00 0.00 C ATOM 150 NZ LYS A 10 17.859 15.803 -1.184 1.00 0.00 N ATOM 0 H LYS A 10 17.396 11.021 -4.880 1.00 0.00 H new ATOM 0 HA LYS A 10 15.755 12.296 -6.970 1.00 0.00 H new ATOM 0 HB2 LYS A 10 16.019 14.479 -5.957 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.371 13.430 -4.711 1.00 0.00 H new ATOM 0 HG2 LYS A 10 17.873 12.974 -4.061 1.00 0.00 H new ATOM 0 HG3 LYS A 10 18.253 14.371 -5.049 1.00 0.00 H new ATOM 0 HD2 LYS A 10 16.624 15.747 -3.698 1.00 0.00 H new ATOM 0 HD3 LYS A 10 16.296 14.351 -2.692 1.00 0.00 H new ATOM 0 HE2 LYS A 10 18.846 14.241 -2.238 1.00 0.00 H new ATOM 0 HE3 LYS A 10 18.962 15.813 -3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 18.695 16.023 -0.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 17.346 16.682 -1.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 17.235 15.158 -0.659 1.00 0.00 H new ATOM 164 N ARG A 11 17.878 13.384 -7.963 1.00 0.00 N ATOM 165 CA ARG A 11 19.100 13.644 -8.711 1.00 0.00 C ATOM 166 C ARG A 11 19.116 15.083 -9.212 1.00 0.00 C ATOM 167 O ARG A 11 18.065 15.685 -9.432 1.00 0.00 O ATOM 168 CB ARG A 11 19.244 12.674 -9.900 1.00 0.00 C ATOM 169 CG ARG A 11 17.872 12.281 -10.476 1.00 0.00 C ATOM 170 CD ARG A 11 17.213 13.490 -11.145 1.00 0.00 C ATOM 171 NE ARG A 11 16.120 13.993 -10.319 1.00 0.00 N ATOM 172 CZ ARG A 11 14.994 13.298 -10.145 1.00 0.00 C ATOM 173 NH1 ARG A 11 14.837 12.126 -10.709 1.00 0.00 N ATOM 174 NH2 ARG A 11 14.038 13.793 -9.408 1.00 0.00 N ATOM 0 H ARG A 11 17.053 13.869 -8.316 1.00 0.00 H new ATOM 0 HA ARG A 11 19.943 13.488 -8.038 1.00 0.00 H new ATOM 0 HB2 ARG A 11 19.847 13.139 -10.679 1.00 0.00 H new ATOM 0 HB3 ARG A 11 19.775 11.778 -9.578 1.00 0.00 H new ATOM 0 HG2 ARG A 11 17.991 11.475 -11.201 1.00 0.00 H new ATOM 0 HG3 ARG A 11 17.231 11.902 -9.680 1.00 0.00 H new ATOM 0 HD2 ARG A 11 17.952 14.276 -11.300 1.00 0.00 H new ATOM 0 HD3 ARG A 11 16.835 13.209 -12.128 1.00 0.00 H new ATOM 0 HE ARG A 11 16.219 14.900 -9.863 1.00 0.00 H new ATOM 0 HH11 ARG A 11 15.580 11.735 -11.288 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.972 11.604 -10.569 1.00 0.00 H new ATOM 0 HH21 ARG A 11 14.154 14.706 -8.969 1.00 0.00 H new ATOM 0 HH22 ARG A 11 13.175 13.267 -9.271 1.00 0.00 H new ATOM 188 N LYS A 12 20.314 15.629 -9.387 1.00 0.00 N ATOM 189 CA LYS A 12 20.454 17.001 -9.860 1.00 0.00 C ATOM 190 C LYS A 12 21.255 17.039 -11.155 1.00 0.00 C ATOM 191 O LYS A 12 22.141 16.213 -11.374 1.00 0.00 O ATOM 192 CB LYS A 12 21.153 17.853 -8.798 1.00 0.00 C ATOM 193 CG LYS A 12 22.567 17.319 -8.565 1.00 0.00 C ATOM 194 CD LYS A 12 23.253 18.149 -7.477 1.00 0.00 C ATOM 195 CE LYS A 12 24.643 17.574 -7.198 1.00 0.00 C ATOM 196 NZ LYS A 12 25.484 17.690 -8.423 1.00 0.00 N ATOM 0 H LYS A 12 21.196 15.147 -9.210 1.00 0.00 H new ATOM 0 HA LYS A 12 19.459 17.404 -10.049 1.00 0.00 H new ATOM 0 HB2 LYS A 12 21.194 18.893 -9.121 1.00 0.00 H new ATOM 0 HB3 LYS A 12 20.586 17.830 -7.867 1.00 0.00 H new ATOM 0 HG2 LYS A 12 22.527 16.271 -8.267 1.00 0.00 H new ATOM 0 HG3 LYS A 12 23.142 17.366 -9.490 1.00 0.00 H new ATOM 0 HD2 LYS A 12 23.335 19.188 -7.795 1.00 0.00 H new ATOM 0 HD3 LYS A 12 22.654 18.140 -6.566 1.00 0.00 H new ATOM 0 HE2 LYS A 12 25.110 18.109 -6.371 1.00 0.00 H new ATOM 0 HE3 LYS A 12 24.562 16.530 -6.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 26.484 17.559 -8.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 25.201 16.961 -9.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 25.354 18.631 -8.846 1.00 0.00 H new ATOM 210 N CYS A 13 20.936 18.004 -12.009 1.00 0.00 N ATOM 211 CA CYS A 13 21.632 18.140 -13.281 1.00 0.00 C ATOM 212 C CYS A 13 22.951 18.882 -13.090 1.00 0.00 C ATOM 213 O CYS A 13 22.975 20.106 -12.967 1.00 0.00 O ATOM 214 CB CYS A 13 20.754 18.897 -14.278 1.00 0.00 C ATOM 215 SG CYS A 13 21.138 18.345 -15.957 1.00 0.00 S ATOM 0 H CYS A 13 20.206 18.698 -11.846 1.00 0.00 H new ATOM 0 HA CYS A 13 21.842 17.144 -13.670 1.00 0.00 H new ATOM 0 HB2 CYS A 13 19.701 18.722 -14.058 1.00 0.00 H new ATOM 0 HB3 CYS A 13 20.925 19.970 -14.188 1.00 0.00 H new ATOM 0 HG CYS A 13 20.391 18.986 -16.806 1.00 0.00 H new ATOM 220 N ASN A 14 24.045 18.128 -13.068 1.00 0.00 N ATOM 221 CA ASN A 14 25.367 18.721 -12.893 1.00 0.00 C ATOM 222 C ASN A 14 26.082 18.861 -14.236 1.00 0.00 C ATOM 223 O ASN A 14 27.004 19.665 -14.375 1.00 0.00 O ATOM 224 CB ASN A 14 26.209 17.856 -11.953 1.00 0.00 C ATOM 225 CG ASN A 14 26.148 16.397 -12.391 1.00 0.00 C ATOM 226 OD1 ASN A 14 26.301 16.096 -13.575 1.00 0.00 O ATOM 227 ND2 ASN A 14 25.930 15.466 -11.502 1.00 0.00 N ATOM 0 H ASN A 14 24.044 17.113 -13.168 1.00 0.00 H new ATOM 0 HA ASN A 14 25.240 19.713 -12.460 1.00 0.00 H new ATOM 0 HB2 ASN A 14 27.243 18.202 -11.956 1.00 0.00 H new ATOM 0 HB3 ASN A 14 25.843 17.953 -10.931 1.00 0.00 H new ATOM 0 HD21 ASN A 14 25.886 14.488 -11.788 1.00 0.00 H new ATOM 0 HD22 ASN A 14 25.803 15.717 -10.521 1.00 0.00 H new ATOM 234 N THR A 15 25.654 18.076 -15.222 1.00 0.00 N ATOM 235 CA THR A 15 26.267 18.125 -16.545 1.00 0.00 C ATOM 236 C THR A 15 26.349 19.564 -17.048 1.00 0.00 C ATOM 237 O THR A 15 25.773 20.475 -16.454 1.00 0.00 O ATOM 238 CB THR A 15 25.455 17.275 -17.526 1.00 0.00 C ATOM 239 OG1 THR A 15 26.161 17.168 -18.756 1.00 0.00 O ATOM 240 CG2 THR A 15 24.093 17.927 -17.767 1.00 0.00 C ATOM 0 H THR A 15 24.892 17.404 -15.131 1.00 0.00 H new ATOM 0 HA THR A 15 27.279 17.726 -16.473 1.00 0.00 H new ATOM 0 HB THR A 15 25.306 16.280 -17.107 1.00 0.00 H new ATOM 0 HG1 THR A 15 25.643 16.623 -19.384 1.00 0.00 H new ATOM 0 HG21 THR A 15 23.517 17.320 -18.466 1.00 0.00 H new ATOM 0 HG22 THR A 15 23.554 18.003 -16.823 1.00 0.00 H new ATOM 0 HG23 THR A 15 24.236 18.924 -18.185 1.00 0.00 H new ATOM 306 N GLN A 21 21.925 25.897 -20.035 1.00 0.00 N ATOM 307 CA GLN A 21 20.520 26.289 -20.063 1.00 0.00 C ATOM 308 C GLN A 21 20.296 27.570 -19.261 1.00 0.00 C ATOM 309 O GLN A 21 19.406 28.359 -19.579 1.00 0.00 O ATOM 310 CB GLN A 21 19.645 25.151 -19.515 1.00 0.00 C ATOM 311 CG GLN A 21 19.128 25.495 -18.114 1.00 0.00 C ATOM 312 CD GLN A 21 18.441 24.278 -17.504 1.00 0.00 C ATOM 313 OE1 GLN A 21 18.480 23.190 -18.078 1.00 0.00 O ATOM 314 NE2 GLN A 21 17.811 24.397 -16.368 1.00 0.00 N ATOM 0 HA GLN A 21 20.236 26.485 -21.097 1.00 0.00 H new ATOM 0 HB2 GLN A 21 18.804 24.976 -20.186 1.00 0.00 H new ATOM 0 HB3 GLN A 21 20.222 24.227 -19.479 1.00 0.00 H new ATOM 0 HG2 GLN A 21 19.955 25.814 -17.479 1.00 0.00 H new ATOM 0 HG3 GLN A 21 18.429 26.329 -18.169 1.00 0.00 H new ATOM 0 HE21 GLN A 21 17.780 25.300 -15.894 1.00 0.00 H new ATOM 0 HE22 GLN A 21 17.349 23.587 -15.954 1.00 0.00 H new ATOM 323 N ARG A 22 21.106 27.778 -18.226 1.00 0.00 N ATOM 324 CA ARG A 22 20.969 28.977 -17.404 1.00 0.00 C ATOM 325 C ARG A 22 21.698 30.156 -18.047 1.00 0.00 C ATOM 326 O ARG A 22 21.383 31.315 -17.774 1.00 0.00 O ATOM 327 CB ARG A 22 21.495 28.717 -15.981 1.00 0.00 C ATOM 328 CG ARG A 22 22.997 29.019 -15.882 1.00 0.00 C ATOM 329 CD ARG A 22 23.205 30.464 -15.420 1.00 0.00 C ATOM 330 NE ARG A 22 23.729 30.488 -14.058 1.00 0.00 N ATOM 331 CZ ARG A 22 25.017 30.255 -13.796 1.00 0.00 C ATOM 332 NH1 ARG A 22 25.861 29.993 -14.762 1.00 0.00 N ATOM 333 NH2 ARG A 22 25.440 30.287 -12.562 1.00 0.00 N ATOM 0 H ARG A 22 21.852 27.144 -17.940 1.00 0.00 H new ATOM 0 HA ARG A 22 19.911 29.230 -17.335 1.00 0.00 H new ATOM 0 HB2 ARG A 22 20.949 29.336 -15.270 1.00 0.00 H new ATOM 0 HB3 ARG A 22 21.311 27.678 -15.706 1.00 0.00 H new ATOM 0 HG2 ARG A 22 23.470 28.331 -15.181 1.00 0.00 H new ATOM 0 HG3 ARG A 22 23.473 28.865 -16.850 1.00 0.00 H new ATOM 0 HD2 ARG A 22 23.896 30.972 -16.092 1.00 0.00 H new ATOM 0 HD3 ARG A 22 22.261 31.007 -15.464 1.00 0.00 H new ATOM 0 HE ARG A 22 23.094 30.688 -13.285 1.00 0.00 H new ATOM 0 HH11 ARG A 22 25.537 29.965 -15.729 1.00 0.00 H new ATOM 0 HH12 ARG A 22 26.843 29.817 -14.548 1.00 0.00 H new ATOM 0 HH21 ARG A 22 24.788 30.489 -11.804 1.00 0.00 H new ATOM 0 HH22 ARG A 22 26.423 30.110 -12.355 1.00 0.00 H new ATOM 347 N LEU A 23 22.666 29.854 -18.909 1.00 0.00 N ATOM 348 CA LEU A 23 23.420 30.900 -19.588 1.00 0.00 C ATOM 349 C LEU A 23 22.486 31.724 -20.468 1.00 0.00 C ATOM 350 O LEU A 23 22.505 32.954 -20.430 1.00 0.00 O ATOM 351 CB LEU A 23 24.527 30.276 -20.446 1.00 0.00 C ATOM 352 CG LEU A 23 25.326 31.376 -21.151 1.00 0.00 C ATOM 353 CD1 LEU A 23 26.049 32.235 -20.111 1.00 0.00 C ATOM 354 CD2 LEU A 23 26.356 30.735 -22.084 1.00 0.00 C ATOM 0 H LEU A 23 22.944 28.903 -19.151 1.00 0.00 H new ATOM 0 HA LEU A 23 23.874 31.551 -18.841 1.00 0.00 H new ATOM 0 HB2 LEU A 23 25.190 29.678 -19.821 1.00 0.00 H new ATOM 0 HB3 LEU A 23 24.091 29.602 -21.184 1.00 0.00 H new ATOM 0 HG LEU A 23 24.647 32.003 -21.728 1.00 0.00 H new ATOM 0 HD11 LEU A 23 26.617 33.017 -20.616 1.00 0.00 H new ATOM 0 HD12 LEU A 23 25.318 32.691 -19.444 1.00 0.00 H new ATOM 0 HD13 LEU A 23 26.728 31.610 -19.532 1.00 0.00 H new ATOM 0 HD21 LEU A 23 26.926 31.516 -22.587 1.00 0.00 H new ATOM 0 HD22 LEU A 23 27.033 30.108 -21.503 1.00 0.00 H new ATOM 0 HD23 LEU A 23 25.843 30.124 -22.827 1.00 0.00 H new ATOM 366 N ALA A 24 21.666 31.034 -21.254 1.00 0.00 N ATOM 367 CA ALA A 24 20.720 31.707 -22.136 1.00 0.00 C ATOM 368 C ALA A 24 19.703 32.497 -21.319 1.00 0.00 C ATOM 369 O ALA A 24 19.320 33.606 -21.691 1.00 0.00 O ATOM 370 CB ALA A 24 19.994 30.680 -23.006 1.00 0.00 C ATOM 0 H ALA A 24 21.637 30.015 -21.298 1.00 0.00 H new ATOM 0 HA ALA A 24 21.272 32.396 -22.776 1.00 0.00 H new ATOM 0 HB1 ALA A 24 19.289 31.192 -23.662 1.00 0.00 H new ATOM 0 HB2 ALA A 24 20.721 30.135 -23.609 1.00 0.00 H new ATOM 0 HB3 ALA A 24 19.454 29.980 -22.369 1.00 0.00 H new ATOM 376 N ASN A 25 19.273 31.920 -20.201 1.00 0.00 N ATOM 377 CA ASN A 25 18.305 32.580 -19.334 1.00 0.00 C ATOM 378 C ASN A 25 18.946 33.772 -18.631 1.00 0.00 C ATOM 379 O ASN A 25 18.271 34.744 -18.296 1.00 0.00 O ATOM 380 CB ASN A 25 17.778 31.592 -18.292 1.00 0.00 C ATOM 381 CG ASN A 25 16.535 32.159 -17.616 1.00 0.00 C ATOM 382 OD1 ASN A 25 15.760 32.880 -18.244 1.00 0.00 O ATOM 383 ND2 ASN A 25 16.296 31.874 -16.365 1.00 0.00 N ATOM 0 H ASN A 25 19.578 31.002 -19.876 1.00 0.00 H new ATOM 0 HA ASN A 25 17.477 32.935 -19.947 1.00 0.00 H new ATOM 0 HB2 ASN A 25 17.541 30.641 -18.768 1.00 0.00 H new ATOM 0 HB3 ASN A 25 18.548 31.392 -17.547 1.00 0.00 H new ATOM 0 HD21 ASN A 25 15.466 32.249 -15.906 1.00 0.00 H new ATOM 0 HD22 ASN A 25 16.939 31.276 -15.846 1.00 0.00 H new ATOM 390 N PHE A 26 20.253 33.687 -18.411 1.00 0.00 N ATOM 391 CA PHE A 26 20.979 34.764 -17.749 1.00 0.00 C ATOM 392 C PHE A 26 20.985 36.022 -18.614 1.00 0.00 C ATOM 393 O PHE A 26 20.908 37.138 -18.101 1.00 0.00 O ATOM 394 CB PHE A 26 22.419 34.328 -17.467 1.00 0.00 C ATOM 395 CG PHE A 26 23.141 35.428 -16.726 1.00 0.00 C ATOM 396 CD1 PHE A 26 22.926 35.605 -15.354 1.00 0.00 C ATOM 397 CD2 PHE A 26 24.024 36.272 -17.410 1.00 0.00 C ATOM 398 CE1 PHE A 26 23.594 36.625 -14.666 1.00 0.00 C ATOM 399 CE2 PHE A 26 24.692 37.292 -16.723 1.00 0.00 C ATOM 400 CZ PHE A 26 24.477 37.469 -15.351 1.00 0.00 C ATOM 0 H PHE A 26 20.829 32.889 -18.679 1.00 0.00 H new ATOM 0 HA PHE A 26 20.477 34.989 -16.808 1.00 0.00 H new ATOM 0 HB2 PHE A 26 22.424 33.412 -16.876 1.00 0.00 H new ATOM 0 HB3 PHE A 26 22.933 34.106 -18.402 1.00 0.00 H new ATOM 0 HD1 PHE A 26 22.245 34.954 -14.826 1.00 0.00 H new ATOM 0 HD2 PHE A 26 24.190 36.136 -18.468 1.00 0.00 H new ATOM 0 HE1 PHE A 26 23.428 36.761 -13.607 1.00 0.00 H new ATOM 0 HE2 PHE A 26 25.373 37.943 -17.251 1.00 0.00 H new ATOM 0 HZ PHE A 26 24.992 38.256 -14.821 1.00 0.00 H new ATOM 410 N LEU A 27 21.082 35.834 -19.926 1.00 0.00 N ATOM 411 CA LEU A 27 21.104 36.963 -20.851 1.00 0.00 C ATOM 412 C LEU A 27 19.808 37.763 -20.730 1.00 0.00 C ATOM 413 O LEU A 27 19.831 38.993 -20.693 1.00 0.00 O ATOM 414 CB LEU A 27 21.295 36.438 -22.289 1.00 0.00 C ATOM 415 CG LEU A 27 21.371 37.573 -23.339 1.00 0.00 C ATOM 416 CD1 LEU A 27 19.960 38.030 -23.745 1.00 0.00 C ATOM 417 CD2 LEU A 27 22.174 38.768 -22.803 1.00 0.00 C ATOM 0 H LEU A 27 21.146 34.918 -20.371 1.00 0.00 H new ATOM 0 HA LEU A 27 21.934 37.625 -20.605 1.00 0.00 H new ATOM 0 HB2 LEU A 27 22.208 35.845 -22.336 1.00 0.00 H new ATOM 0 HB3 LEU A 27 20.469 35.772 -22.540 1.00 0.00 H new ATOM 0 HG LEU A 27 21.882 37.179 -24.218 1.00 0.00 H new ATOM 0 HD11 LEU A 27 20.035 38.828 -24.484 1.00 0.00 H new ATOM 0 HD12 LEU A 27 19.414 37.189 -24.173 1.00 0.00 H new ATOM 0 HD13 LEU A 27 19.430 38.397 -22.866 1.00 0.00 H new ATOM 0 HD21 LEU A 27 22.211 39.551 -23.561 1.00 0.00 H new ATOM 0 HD22 LEU A 27 21.694 39.156 -21.905 1.00 0.00 H new ATOM 0 HD23 LEU A 27 23.188 38.447 -22.563 1.00 0.00 H new ATOM 429 N VAL A 28 18.681 37.063 -20.654 1.00 0.00 N ATOM 430 CA VAL A 28 17.392 37.734 -20.523 1.00 0.00 C ATOM 431 C VAL A 28 17.151 38.147 -19.073 1.00 0.00 C ATOM 432 O VAL A 28 16.467 39.135 -18.807 1.00 0.00 O ATOM 433 CB VAL A 28 16.261 36.819 -21.002 1.00 0.00 C ATOM 434 CG1 VAL A 28 16.496 36.440 -22.465 1.00 0.00 C ATOM 435 CG2 VAL A 28 16.225 35.549 -20.148 1.00 0.00 C ATOM 0 H VAL A 28 18.633 36.044 -20.680 1.00 0.00 H new ATOM 0 HA VAL A 28 17.407 38.629 -21.145 1.00 0.00 H new ATOM 0 HB VAL A 28 15.311 37.344 -20.908 1.00 0.00 H new ATOM 0 HG11 VAL A 28 15.691 35.789 -22.806 1.00 0.00 H new ATOM 0 HG12 VAL A 28 16.516 37.342 -23.076 1.00 0.00 H new ATOM 0 HG13 VAL A 28 17.449 35.918 -22.557 1.00 0.00 H new ATOM 0 HG21 VAL A 28 15.419 34.901 -20.493 1.00 0.00 H new ATOM 0 HG22 VAL A 28 17.176 35.024 -20.237 1.00 0.00 H new ATOM 0 HG23 VAL A 28 16.055 35.817 -19.105 1.00 0.00 H new ATOM 445 N HIS A 29 17.723 37.394 -18.140 1.00 0.00 N ATOM 446 CA HIS A 29 17.567 37.705 -16.723 1.00 0.00 C ATOM 447 C HIS A 29 18.323 38.985 -16.371 1.00 0.00 C ATOM 448 O HIS A 29 17.972 39.682 -15.420 1.00 0.00 O ATOM 449 CB HIS A 29 18.094 36.547 -15.873 1.00 0.00 C ATOM 450 CG HIS A 29 17.869 36.851 -14.418 1.00 0.00 C ATOM 451 ND1 HIS A 29 16.606 36.841 -13.847 1.00 0.00 N ATOM 452 CD2 HIS A 29 18.737 37.175 -13.404 1.00 0.00 C ATOM 453 CE1 HIS A 29 16.748 37.151 -12.545 1.00 0.00 C ATOM 454 NE2 HIS A 29 18.026 37.364 -12.223 1.00 0.00 N ATOM 0 H HIS A 29 18.294 36.572 -18.336 1.00 0.00 H new ATOM 0 HA HIS A 29 16.507 37.853 -16.516 1.00 0.00 H new ATOM 0 HB2 HIS A 29 17.586 35.622 -16.145 1.00 0.00 H new ATOM 0 HB3 HIS A 29 19.156 36.396 -16.064 1.00 0.00 H new ATOM 0 HD2 HIS A 29 19.808 37.269 -13.508 1.00 0.00 H new ATOM 0 HE1 HIS A 29 15.928 37.219 -11.846 1.00 0.00 H new ATOM 0 HE2 HIS A 29 18.401 37.612 -11.307 1.00 0.00 H new ATOM 463 N SER A 30 19.359 39.285 -17.153 1.00 0.00 N ATOM 464 CA SER A 30 20.154 40.487 -16.918 1.00 0.00 C ATOM 465 C SER A 30 20.092 41.434 -18.117 1.00 0.00 C ATOM 466 O SER A 30 20.914 42.343 -18.239 1.00 0.00 O ATOM 467 CB SER A 30 21.607 40.110 -16.630 1.00 0.00 C ATOM 468 OG SER A 30 21.984 40.626 -15.361 1.00 0.00 O ATOM 0 H SER A 30 19.664 38.720 -17.945 1.00 0.00 H new ATOM 0 HA SER A 30 19.736 41.002 -16.053 1.00 0.00 H new ATOM 0 HB2 SER A 30 21.723 39.026 -16.644 1.00 0.00 H new ATOM 0 HB3 SER A 30 22.259 40.510 -17.406 1.00 0.00 H new ATOM 0 HG SER A 30 22.915 40.384 -15.173 1.00 0.00 H new ATOM 474 N SER A 31 19.119 41.219 -18.999 1.00 0.00 N ATOM 475 CA SER A 31 18.972 42.064 -20.179 1.00 0.00 C ATOM 476 C SER A 31 18.552 43.477 -19.789 1.00 0.00 C ATOM 477 O SER A 31 19.030 44.454 -20.364 1.00 0.00 O ATOM 478 CB SER A 31 17.935 41.465 -21.129 1.00 0.00 C ATOM 479 OG SER A 31 17.768 42.328 -22.246 1.00 0.00 O ATOM 0 H SER A 31 18.427 40.474 -18.920 1.00 0.00 H new ATOM 0 HA SER A 31 19.938 42.114 -20.681 1.00 0.00 H new ATOM 0 HB2 SER A 31 18.257 40.478 -21.462 1.00 0.00 H new ATOM 0 HB3 SER A 31 16.985 41.332 -20.612 1.00 0.00 H new ATOM 0 HG SER A 31 17.105 41.946 -22.858 1.00 0.00 H new ATOM 485 N ASN A 32 17.655 43.583 -18.814 1.00 0.00 N ATOM 486 CA ASN A 32 17.182 44.888 -18.367 1.00 0.00 C ATOM 487 C ASN A 32 18.339 45.732 -17.846 1.00 0.00 C ATOM 488 O ASN A 32 18.310 46.961 -17.924 1.00 0.00 O ATOM 489 CB ASN A 32 16.142 44.714 -17.260 1.00 0.00 C ATOM 490 CG ASN A 32 16.769 44.009 -16.062 1.00 0.00 C ATOM 491 OD1 ASN A 32 17.389 42.957 -16.214 1.00 0.00 O ATOM 492 ND2 ASN A 32 16.645 44.531 -14.872 1.00 0.00 N ATOM 0 H ASN A 32 17.244 42.789 -18.322 1.00 0.00 H new ATOM 0 HA ASN A 32 16.730 45.398 -19.218 1.00 0.00 H new ATOM 0 HB2 ASN A 32 15.754 45.687 -16.958 1.00 0.00 H new ATOM 0 HB3 ASN A 32 15.297 44.135 -17.632 1.00 0.00 H new ATOM 0 HD21 ASN A 32 17.063 44.067 -14.065 1.00 0.00 H new ATOM 0 HD22 ASN A 32 16.131 45.403 -14.749 1.00 0.00 H new ATOM 499 N ASN A 33 19.357 45.065 -17.316 1.00 0.00 N ATOM 500 CA ASN A 33 20.519 45.768 -16.788 1.00 0.00 C ATOM 501 C ASN A 33 21.383 46.298 -17.928 1.00 0.00 C ATOM 502 O ASN A 33 22.104 47.282 -17.770 1.00 0.00 O ATOM 503 CB ASN A 33 21.346 44.829 -15.908 1.00 0.00 C ATOM 504 CG ASN A 33 20.566 44.479 -14.645 1.00 0.00 C ATOM 505 OD1 ASN A 33 20.374 43.302 -14.340 1.00 0.00 O ATOM 506 ND2 ASN A 33 20.101 45.436 -13.889 1.00 0.00 N ATOM 0 H ASN A 33 19.402 44.049 -17.241 1.00 0.00 H new ATOM 0 HA ASN A 33 20.171 46.609 -16.188 1.00 0.00 H new ATOM 0 HB2 ASN A 33 21.589 43.921 -16.459 1.00 0.00 H new ATOM 0 HB3 ASN A 33 22.291 45.303 -15.643 1.00 0.00 H new ATOM 0 HD21 ASN A 33 19.577 45.209 -13.044 1.00 0.00 H new ATOM 0 HD22 ASN A 33 20.261 46.411 -14.144 1.00 0.00 H new ATOM 513 N PHE A 34 21.301 45.633 -19.076 1.00 0.00 N ATOM 514 CA PHE A 34 22.079 46.039 -20.241 1.00 0.00 C ATOM 515 C PHE A 34 21.754 47.481 -20.616 1.00 0.00 C ATOM 516 O PHE A 34 22.646 48.263 -20.943 1.00 0.00 O ATOM 517 CB PHE A 34 21.781 45.114 -21.423 1.00 0.00 C ATOM 518 CG PHE A 34 22.671 45.480 -22.586 1.00 0.00 C ATOM 519 CD1 PHE A 34 24.011 45.073 -22.597 1.00 0.00 C ATOM 520 CD2 PHE A 34 22.158 46.225 -23.655 1.00 0.00 C ATOM 521 CE1 PHE A 34 24.836 45.410 -23.676 1.00 0.00 C ATOM 522 CE2 PHE A 34 22.983 46.563 -24.734 1.00 0.00 C ATOM 523 CZ PHE A 34 24.323 46.155 -24.744 1.00 0.00 C ATOM 0 H PHE A 34 20.708 44.816 -19.224 1.00 0.00 H new ATOM 0 HA PHE A 34 23.138 45.968 -19.994 1.00 0.00 H new ATOM 0 HB2 PHE A 34 21.948 44.076 -21.137 1.00 0.00 H new ATOM 0 HB3 PHE A 34 20.733 45.201 -21.712 1.00 0.00 H new ATOM 0 HD1 PHE A 34 24.408 44.499 -21.773 1.00 0.00 H new ATOM 0 HD2 PHE A 34 21.125 46.539 -23.647 1.00 0.00 H new ATOM 0 HE1 PHE A 34 25.869 45.095 -23.685 1.00 0.00 H new ATOM 0 HE2 PHE A 34 22.587 47.138 -25.558 1.00 0.00 H new ATOM 0 HZ PHE A 34 24.960 46.415 -25.576 1.00 0.00 H new ATOM 533 N GLY A 35 20.473 47.829 -20.553 1.00 0.00 N ATOM 534 CA GLY A 35 20.043 49.184 -20.874 1.00 0.00 C ATOM 535 C GLY A 35 20.616 50.181 -19.872 1.00 0.00 C ATOM 536 O GLY A 35 21.186 51.202 -20.257 1.00 0.00 O ATOM 0 H GLY A 35 19.720 47.196 -20.284 1.00 0.00 H new ATOM 0 HA2 GLY A 35 20.368 49.445 -21.881 1.00 0.00 H new ATOM 0 HA3 GLY A 35 18.954 49.237 -20.866 1.00 0.00 H new ATOM 540 N ALA A 36 20.460 49.884 -18.586 1.00 0.00 N ATOM 541 CA ALA A 36 20.967 50.771 -17.544 1.00 0.00 C ATOM 542 C ALA A 36 22.478 50.944 -17.674 1.00 0.00 C ATOM 543 O ALA A 36 23.010 52.032 -17.452 1.00 0.00 O ATOM 544 CB ALA A 36 20.634 50.198 -16.165 1.00 0.00 C ATOM 0 H ALA A 36 19.992 49.045 -18.242 1.00 0.00 H new ATOM 0 HA ALA A 36 20.491 51.745 -17.658 1.00 0.00 H new ATOM 0 HB1 ALA A 36 21.015 50.865 -15.392 1.00 0.00 H new ATOM 0 HB2 ALA A 36 19.553 50.103 -16.062 1.00 0.00 H new ATOM 0 HB3 ALA A 36 21.096 49.217 -16.058 1.00 0.00 H new ATOM 550 N ILE A 37 23.160 49.862 -18.034 1.00 0.00 N ATOM 551 CA ILE A 37 24.611 49.896 -18.193 1.00 0.00 C ATOM 552 C ILE A 37 25.015 50.874 -19.291 1.00 0.00 C ATOM 553 O ILE A 37 26.015 51.582 -19.168 1.00 0.00 O ATOM 554 CB ILE A 37 25.131 48.499 -18.540 1.00 0.00 C ATOM 555 CG1 ILE A 37 25.086 47.612 -17.292 1.00 0.00 C ATOM 556 CG2 ILE A 37 26.574 48.599 -19.040 1.00 0.00 C ATOM 557 CD1 ILE A 37 25.253 46.147 -17.699 1.00 0.00 C ATOM 0 H ILE A 37 22.735 48.954 -18.221 1.00 0.00 H new ATOM 0 HA ILE A 37 25.048 50.227 -17.251 1.00 0.00 H new ATOM 0 HB ILE A 37 24.505 48.064 -19.319 1.00 0.00 H new ATOM 0 HG12 ILE A 37 25.877 47.900 -16.600 1.00 0.00 H new ATOM 0 HG13 ILE A 37 24.139 47.749 -16.769 1.00 0.00 H new ATOM 0 HG21 ILE A 37 26.943 47.604 -19.287 1.00 0.00 H new ATOM 0 HG22 ILE A 37 26.608 49.229 -19.929 1.00 0.00 H new ATOM 0 HG23 ILE A 37 27.200 49.035 -18.261 1.00 0.00 H new ATOM 0 HD11 ILE A 37 25.221 45.517 -16.810 1.00 0.00 H new ATOM 0 HD12 ILE A 37 24.446 45.863 -18.375 1.00 0.00 H new ATOM 0 HD13 ILE A 37 26.211 46.016 -18.202 1.00 0.00 H new ATOM 569 N LEU A 38 24.236 50.902 -20.367 1.00 0.00 N ATOM 570 CA LEU A 38 24.526 51.790 -21.487 1.00 0.00 C ATOM 571 C LEU A 38 24.601 53.239 -21.017 1.00 0.00 C ATOM 572 O LEU A 38 25.452 54.003 -21.474 1.00 0.00 O ATOM 573 CB LEU A 38 23.442 51.646 -22.561 1.00 0.00 C ATOM 574 CG LEU A 38 23.748 52.571 -23.744 1.00 0.00 C ATOM 575 CD1 LEU A 38 25.061 52.147 -24.405 1.00 0.00 C ATOM 576 CD2 LEU A 38 22.613 52.477 -24.766 1.00 0.00 C ATOM 0 H LEU A 38 23.404 50.324 -20.487 1.00 0.00 H new ATOM 0 HA LEU A 38 25.491 51.511 -21.910 1.00 0.00 H new ATOM 0 HB2 LEU A 38 23.391 50.612 -22.901 1.00 0.00 H new ATOM 0 HB3 LEU A 38 22.467 51.891 -22.140 1.00 0.00 H new ATOM 0 HG LEU A 38 23.839 53.597 -23.387 1.00 0.00 H new ATOM 0 HD11 LEU A 38 25.275 52.807 -25.246 1.00 0.00 H new ATOM 0 HD12 LEU A 38 25.871 52.210 -23.679 1.00 0.00 H new ATOM 0 HD13 LEU A 38 24.974 51.121 -24.762 1.00 0.00 H new ATOM 0 HD21 LEU A 38 22.827 53.134 -25.609 1.00 0.00 H new ATOM 0 HD22 LEU A 38 22.526 51.450 -25.119 1.00 0.00 H new ATOM 0 HD23 LEU A 38 21.676 52.781 -24.298 1.00 0.00 H new ATOM 588 N SER A 39 23.717 53.612 -20.100 1.00 0.00 N ATOM 589 CA SER A 39 23.710 54.973 -19.577 1.00 0.00 C ATOM 590 C SER A 39 24.985 55.243 -18.786 1.00 0.00 C ATOM 591 O SER A 39 25.563 56.327 -18.870 1.00 0.00 O ATOM 592 CB SER A 39 22.492 55.184 -18.677 1.00 0.00 C ATOM 593 OG SER A 39 22.500 56.517 -18.182 1.00 0.00 O ATOM 0 H SER A 39 23.003 52.999 -19.706 1.00 0.00 H new ATOM 0 HA SER A 39 23.660 55.666 -20.417 1.00 0.00 H new ATOM 0 HB2 SER A 39 21.575 54.997 -19.236 1.00 0.00 H new ATOM 0 HB3 SER A 39 22.510 54.476 -17.849 1.00 0.00 H new ATOM 0 HG SER A 39 21.720 56.657 -17.606 1.00 0.00 H new ATOM 599 N SER A 40 25.419 54.248 -18.020 1.00 0.00 N ATOM 600 CA SER A 40 26.629 54.384 -17.217 1.00 0.00 C ATOM 601 C SER A 40 27.848 53.896 -17.995 1.00 0.00 C ATOM 602 O SER A 40 28.857 53.511 -17.405 1.00 0.00 O ATOM 603 CB SER A 40 26.491 53.579 -15.925 1.00 0.00 C ATOM 604 OG SER A 40 25.416 54.104 -15.156 1.00 0.00 O ATOM 0 H SER A 40 24.954 53.344 -17.938 1.00 0.00 H new ATOM 0 HA SER A 40 26.765 55.438 -16.976 1.00 0.00 H new ATOM 0 HB2 SER A 40 26.310 52.529 -16.155 1.00 0.00 H new ATOM 0 HB3 SER A 40 27.418 53.625 -15.354 1.00 0.00 H new ATOM 0 HG SER A 40 25.324 53.589 -14.328 1.00 0.00 H new ATOM 610 N THR A 41 27.748 53.914 -19.322 1.00 0.00 N ATOM 611 CA THR A 41 28.849 53.471 -20.170 1.00 0.00 C ATOM 612 C THR A 41 30.122 54.256 -19.861 1.00 0.00 C ATOM 613 O THR A 41 31.228 53.800 -20.152 1.00 0.00 O ATOM 614 CB THR A 41 28.481 53.657 -21.643 1.00 0.00 C ATOM 615 OG1 THR A 41 29.531 53.159 -22.459 1.00 0.00 O ATOM 616 CG2 THR A 41 28.267 55.144 -21.932 1.00 0.00 C ATOM 0 H THR A 41 26.921 54.229 -19.830 1.00 0.00 H new ATOM 0 HA THR A 41 29.031 52.415 -19.969 1.00 0.00 H new ATOM 0 HB THR A 41 27.563 53.111 -21.861 1.00 0.00 H new ATOM 0 HG1 THR A 41 29.295 53.276 -23.403 1.00 0.00 H new ATOM 0 HG21 THR A 41 28.005 55.277 -22.982 1.00 0.00 H new ATOM 0 HG22 THR A 41 27.460 55.524 -21.306 1.00 0.00 H new ATOM 0 HG23 THR A 41 29.184 55.692 -21.715 1.00 0.00 H new ATOM 624 N ASN A 42 29.960 55.439 -19.273 1.00 0.00 N ATOM 625 CA ASN A 42 31.107 56.274 -18.935 1.00 0.00 C ATOM 626 C ASN A 42 31.732 55.847 -17.605 1.00 0.00 C ATOM 627 O ASN A 42 32.596 56.542 -17.070 1.00 0.00 O ATOM 628 CB ASN A 42 30.675 57.739 -18.847 1.00 0.00 C ATOM 629 CG ASN A 42 29.779 57.946 -17.631 1.00 0.00 C ATOM 630 OD1 ASN A 42 29.163 56.999 -17.144 1.00 0.00 O ATOM 631 ND2 ASN A 42 29.670 59.137 -17.109 1.00 0.00 N ATOM 0 H ASN A 42 29.055 55.837 -19.023 1.00 0.00 H new ATOM 0 HA ASN A 42 31.853 56.154 -19.720 1.00 0.00 H new ATOM 0 HB2 ASN A 42 31.552 58.382 -18.776 1.00 0.00 H new ATOM 0 HB3 ASN A 42 30.143 58.025 -19.754 1.00 0.00 H new ATOM 0 HD21 ASN A 42 29.073 59.284 -16.295 1.00 0.00 H new ATOM 0 HD22 ASN A 42 30.182 59.920 -17.515 1.00 0.00 H new ATOM 638 N VAL A 43 31.299 54.704 -17.075 1.00 0.00 N ATOM 639 CA VAL A 43 31.835 54.209 -15.813 1.00 0.00 C ATOM 640 C VAL A 43 33.050 53.313 -16.055 1.00 0.00 C ATOM 641 O VAL A 43 33.446 52.539 -15.184 1.00 0.00 O ATOM 642 CB VAL A 43 30.753 53.425 -15.063 1.00 0.00 C ATOM 643 CG1 VAL A 43 30.616 52.023 -15.667 1.00 0.00 C ATOM 644 CG2 VAL A 43 31.132 53.312 -13.581 1.00 0.00 C ATOM 0 H VAL A 43 30.585 54.110 -17.497 1.00 0.00 H new ATOM 0 HA VAL A 43 32.149 55.062 -15.212 1.00 0.00 H new ATOM 0 HB VAL A 43 29.802 53.950 -15.154 1.00 0.00 H new ATOM 0 HG11 VAL A 43 29.846 51.469 -15.130 1.00 0.00 H new ATOM 0 HG12 VAL A 43 30.339 52.105 -16.718 1.00 0.00 H new ATOM 0 HG13 VAL A 43 31.566 51.496 -15.583 1.00 0.00 H new ATOM 0 HG21 VAL A 43 30.361 52.754 -13.050 1.00 0.00 H new ATOM 0 HG22 VAL A 43 32.085 52.792 -13.488 1.00 0.00 H new ATOM 0 HG23 VAL A 43 31.219 54.310 -13.151 1.00 0.00 H new ATOM 654 N GLY A 44 33.643 53.424 -17.242 1.00 0.00 N ATOM 655 CA GLY A 44 34.811 52.618 -17.578 1.00 0.00 C ATOM 656 C GLY A 44 34.415 51.173 -17.859 1.00 0.00 C ATOM 657 O GLY A 44 35.217 50.255 -17.690 1.00 0.00 O ATOM 0 H GLY A 44 33.337 54.058 -17.980 1.00 0.00 H new ATOM 0 HA2 GLY A 44 35.309 53.039 -18.452 1.00 0.00 H new ATOM 0 HA3 GLY A 44 35.527 52.649 -16.757 1.00 0.00 H new ATOM 661 N SER A 45 33.172 50.980 -18.289 1.00 0.00 N ATOM 662 CA SER A 45 32.678 49.641 -18.592 1.00 0.00 C ATOM 663 C SER A 45 32.206 49.556 -20.040 1.00 0.00 C ATOM 664 O SER A 45 31.363 48.726 -20.378 1.00 0.00 O ATOM 665 CB SER A 45 31.522 49.290 -17.657 1.00 0.00 C ATOM 666 OG SER A 45 30.413 50.130 -17.948 1.00 0.00 O ATOM 0 H SER A 45 32.493 51.727 -18.435 1.00 0.00 H new ATOM 0 HA SER A 45 33.493 48.932 -18.447 1.00 0.00 H new ATOM 0 HB2 SER A 45 31.243 48.244 -17.781 1.00 0.00 H new ATOM 0 HB3 SER A 45 31.827 49.417 -16.618 1.00 0.00 H new ATOM 0 HG SER A 45 29.668 49.907 -17.351 1.00 0.00 H new ATOM 672 N ASN A 46 32.751 50.421 -20.889 1.00 0.00 N ATOM 673 CA ASN A 46 32.375 50.435 -22.298 1.00 0.00 C ATOM 674 C ASN A 46 33.322 49.564 -23.116 1.00 0.00 C ATOM 675 O ASN A 46 33.520 49.795 -24.309 1.00 0.00 O ATOM 676 CB ASN A 46 32.405 51.867 -22.835 1.00 0.00 C ATOM 677 CG ASN A 46 33.826 52.416 -22.776 1.00 0.00 C ATOM 678 OD1 ASN A 46 34.724 51.761 -22.249 1.00 0.00 O ATOM 679 ND2 ASN A 46 34.084 53.588 -23.290 1.00 0.00 N ATOM 0 H ASN A 46 33.450 51.117 -20.629 1.00 0.00 H new ATOM 0 HA ASN A 46 31.365 50.036 -22.386 1.00 0.00 H new ATOM 0 HB2 ASN A 46 32.041 51.887 -23.862 1.00 0.00 H new ATOM 0 HB3 ASN A 46 31.738 52.498 -22.248 1.00 0.00 H new ATOM 0 HD21 ASN A 46 35.032 53.963 -23.255 1.00 0.00 H new ATOM 0 HD22 ASN A 46 33.338 54.129 -23.726 1.00 0.00 H new ATOM 686 N THR A 47 33.906 48.561 -22.466 1.00 0.00 N ATOM 687 CA THR A 47 34.834 47.661 -23.143 1.00 0.00 C ATOM 688 C THR A 47 34.092 46.487 -23.782 1.00 0.00 C ATOM 689 O THR A 47 34.692 45.453 -24.075 1.00 0.00 O ATOM 690 CB THR A 47 35.864 47.127 -22.146 1.00 0.00 C ATOM 691 OG1 THR A 47 35.668 47.750 -20.884 1.00 0.00 O ATOM 692 CG2 THR A 47 37.275 47.429 -22.654 1.00 0.00 C ATOM 0 H THR A 47 33.755 48.352 -21.479 1.00 0.00 H new ATOM 0 HA THR A 47 35.338 48.224 -23.928 1.00 0.00 H new ATOM 0 HB THR A 47 35.742 46.049 -22.041 1.00 0.00 H new ATOM 0 HG1 THR A 47 34.968 47.275 -20.390 1.00 0.00 H new ATOM 0 HG21 THR A 47 38.007 47.048 -21.942 1.00 0.00 H new ATOM 0 HG22 THR A 47 37.424 46.948 -23.621 1.00 0.00 H new ATOM 0 HG23 THR A 47 37.400 48.506 -22.761 1.00 0.00 H new ATOM 700 N TYR A 48 32.789 46.651 -24.001 1.00 0.00 N ATOM 701 CA TYR A 48 31.990 45.593 -24.610 1.00 0.00 C ATOM 702 C TYR A 48 31.212 46.122 -25.813 1.00 0.00 C ATOM 703 O TYR A 48 30.246 45.502 -26.258 1.00 0.00 O ATOM 704 CB TYR A 48 31.014 45.018 -23.581 1.00 0.00 C ATOM 705 CG TYR A 48 29.944 46.038 -23.272 1.00 0.00 C ATOM 706 CD1 TYR A 48 28.710 45.980 -23.930 1.00 0.00 C ATOM 707 CD2 TYR A 48 30.186 47.042 -22.328 1.00 0.00 C ATOM 708 CE1 TYR A 48 27.718 46.926 -23.644 1.00 0.00 C ATOM 709 CE2 TYR A 48 29.194 47.988 -22.041 1.00 0.00 C ATOM 710 CZ TYR A 48 27.960 47.930 -22.699 1.00 0.00 C ATOM 711 OH TYR A 48 26.983 48.862 -22.417 1.00 0.00 O ATOM 0 H TYR A 48 32.269 47.497 -23.768 1.00 0.00 H new ATOM 0 HA TYR A 48 32.666 44.809 -24.951 1.00 0.00 H new ATOM 0 HB2 TYR A 48 30.560 44.105 -23.966 1.00 0.00 H new ATOM 0 HB3 TYR A 48 31.548 44.749 -22.670 1.00 0.00 H new ATOM 0 HD1 TYR A 48 28.523 45.205 -24.659 1.00 0.00 H new ATOM 0 HD2 TYR A 48 31.138 47.087 -21.820 1.00 0.00 H new ATOM 0 HE1 TYR A 48 26.766 46.881 -24.152 1.00 0.00 H new ATOM 0 HE2 TYR A 48 29.381 48.762 -21.312 1.00 0.00 H new ATOM 0 HH TYR A 48 26.099 48.459 -22.547 1.00 0.00 H new ATOM 721 N GLY A 49 31.635 47.270 -26.339 1.00 0.00 N ATOM 722 CA GLY A 49 30.963 47.863 -27.489 1.00 0.00 C ATOM 723 C GLY A 49 31.053 46.949 -28.706 1.00 0.00 C ATOM 724 O GLY A 49 32.103 46.370 -28.985 1.00 0.00 O ATOM 0 H GLY A 49 32.432 47.802 -25.990 1.00 0.00 H new ATOM 0 HA2 GLY A 49 29.917 48.050 -27.247 1.00 0.00 H new ATOM 0 HA3 GLY A 49 31.414 48.828 -27.720 1.00 0.00 H new ATOM 728 N LYS A 50 29.944 46.826 -29.427 1.00 0.00 N ATOM 729 CA LYS A 50 29.905 45.981 -30.616 1.00 0.00 C ATOM 730 C LYS A 50 30.829 46.533 -31.697 1.00 0.00 C ATOM 731 O LYS A 50 31.481 45.776 -32.415 1.00 0.00 O ATOM 732 CB LYS A 50 28.475 45.903 -31.155 1.00 0.00 C ATOM 733 CG LYS A 50 27.611 45.087 -30.192 1.00 0.00 C ATOM 734 CD LYS A 50 26.237 44.839 -30.818 1.00 0.00 C ATOM 735 CE LYS A 50 25.444 46.147 -30.852 1.00 0.00 C ATOM 736 NZ LYS A 50 25.264 46.654 -29.462 1.00 0.00 N ATOM 0 H LYS A 50 29.065 47.297 -29.211 1.00 0.00 H new ATOM 0 HA LYS A 50 30.244 44.982 -30.340 1.00 0.00 H new ATOM 0 HB2 LYS A 50 28.063 46.906 -31.270 1.00 0.00 H new ATOM 0 HB3 LYS A 50 28.472 45.442 -32.143 1.00 0.00 H new ATOM 0 HG2 LYS A 50 28.096 44.137 -29.968 1.00 0.00 H new ATOM 0 HG3 LYS A 50 27.500 45.619 -29.247 1.00 0.00 H new ATOM 0 HD2 LYS A 50 26.352 44.446 -31.828 1.00 0.00 H new ATOM 0 HD3 LYS A 50 25.695 44.088 -30.243 1.00 0.00 H new ATOM 0 HE2 LYS A 50 25.969 46.887 -31.456 1.00 0.00 H new ATOM 0 HE3 LYS A 50 24.473 45.984 -31.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 24.390 47.216 -29.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 25.200 45.850 -28.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 26.076 47.250 -29.202 1.00 0.00 H new ATOM 750 N ARG A 51 30.871 47.857 -31.810 1.00 0.00 N ATOM 751 CA ARG A 51 31.711 48.503 -32.814 1.00 0.00 C ATOM 752 C ARG A 51 33.128 47.936 -32.782 1.00 0.00 C ATOM 753 O ARG A 51 33.823 47.926 -33.796 1.00 0.00 O ATOM 754 CB ARG A 51 31.754 50.014 -32.570 1.00 0.00 C ATOM 755 CG ARG A 51 32.522 50.308 -31.279 1.00 0.00 C ATOM 756 CD ARG A 51 32.454 51.805 -30.974 1.00 0.00 C ATOM 757 NE ARG A 51 33.214 52.110 -29.765 1.00 0.00 N ATOM 758 CZ ARG A 51 32.711 51.900 -28.547 1.00 0.00 C ATOM 759 NH1 ARG A 51 31.509 51.403 -28.394 1.00 0.00 N ATOM 760 NH2 ARG A 51 33.426 52.193 -27.496 1.00 0.00 N ATOM 0 H ARG A 51 30.338 48.500 -31.224 1.00 0.00 H new ATOM 0 HA ARG A 51 31.280 48.307 -33.796 1.00 0.00 H new ATOM 0 HB2 ARG A 51 32.234 50.514 -33.411 1.00 0.00 H new ATOM 0 HB3 ARG A 51 30.741 50.409 -32.500 1.00 0.00 H new ATOM 0 HG2 ARG A 51 32.097 49.738 -30.453 1.00 0.00 H new ATOM 0 HG3 ARG A 51 33.561 49.994 -31.382 1.00 0.00 H new ATOM 0 HD2 ARG A 51 32.852 52.373 -31.815 1.00 0.00 H new ATOM 0 HD3 ARG A 51 31.416 52.110 -30.846 1.00 0.00 H new ATOM 0 HE ARG A 51 34.155 52.494 -29.854 1.00 0.00 H new ATOM 0 HH11 ARG A 51 30.945 51.171 -29.212 1.00 0.00 H new ATOM 0 HH12 ARG A 51 31.137 51.248 -27.457 1.00 0.00 H new ATOM 0 HH21 ARG A 51 34.363 52.580 -27.608 1.00 0.00 H new ATOM 0 HH22 ARG A 51 33.048 52.035 -26.562 1.00 0.00 H new ATOM 774 N ASN A 52 33.549 47.463 -31.615 1.00 0.00 N ATOM 775 CA ASN A 52 34.885 46.896 -31.474 1.00 0.00 C ATOM 776 C ASN A 52 35.030 45.656 -32.352 1.00 0.00 C ATOM 777 O ASN A 52 36.066 45.445 -32.983 1.00 0.00 O ATOM 778 CB ASN A 52 35.144 46.522 -30.013 1.00 0.00 C ATOM 779 CG ASN A 52 36.630 46.651 -29.697 1.00 0.00 C ATOM 780 OD1 ASN A 52 36.998 47.044 -28.589 1.00 0.00 O ATOM 781 ND2 ASN A 52 37.512 46.342 -30.608 1.00 0.00 N ATOM 0 H ASN A 52 32.992 47.460 -30.761 1.00 0.00 H new ATOM 0 HA ASN A 52 35.614 47.643 -31.790 1.00 0.00 H new ATOM 0 HB2 ASN A 52 34.566 47.171 -29.355 1.00 0.00 H new ATOM 0 HB3 ASN A 52 34.811 45.501 -29.826 1.00 0.00 H new ATOM 0 HD21 ASN A 52 38.508 46.426 -30.403 1.00 0.00 H new ATOM 0 HD22 ASN A 52 37.206 46.017 -31.525 1.00 0.00 H new ATOM 788 N ALA A 53 33.982 44.841 -32.383 1.00 0.00 N ATOM 789 CA ALA A 53 33.995 43.622 -33.183 1.00 0.00 C ATOM 790 C ALA A 53 34.127 43.950 -34.667 1.00 0.00 C ATOM 791 O ALA A 53 34.934 43.349 -35.375 1.00 0.00 O ATOM 792 CB ALA A 53 32.709 42.828 -32.946 1.00 0.00 C ATOM 0 H ALA A 53 33.117 45.001 -31.867 1.00 0.00 H new ATOM 0 HA ALA A 53 34.854 43.023 -32.880 1.00 0.00 H new ATOM 0 HB1 ALA A 53 32.727 41.919 -33.547 1.00 0.00 H new ATOM 0 HB2 ALA A 53 32.634 42.564 -31.891 1.00 0.00 H new ATOM 0 HB3 ALA A 53 31.849 43.435 -33.231 1.00 0.00 H new ATOM 798 N VAL A 54 33.325 44.900 -35.136 1.00 0.00 N ATOM 799 CA VAL A 54 33.361 45.289 -36.542 1.00 0.00 C ATOM 800 C VAL A 54 34.630 46.079 -36.858 1.00 0.00 C ATOM 801 O VAL A 54 35.050 46.155 -38.013 1.00 0.00 O ATOM 802 CB VAL A 54 32.128 46.131 -36.885 1.00 0.00 C ATOM 803 CG1 VAL A 54 32.484 47.620 -36.854 1.00 0.00 C ATOM 804 CG2 VAL A 54 31.632 45.755 -38.284 1.00 0.00 C ATOM 0 H VAL A 54 32.648 45.411 -34.570 1.00 0.00 H new ATOM 0 HA VAL A 54 33.360 44.382 -37.146 1.00 0.00 H new ATOM 0 HB VAL A 54 31.346 45.937 -36.151 1.00 0.00 H new ATOM 0 HG11 VAL A 54 31.601 48.210 -37.099 1.00 0.00 H new ATOM 0 HG12 VAL A 54 32.836 47.889 -35.858 1.00 0.00 H new ATOM 0 HG13 VAL A 54 33.269 47.822 -37.583 1.00 0.00 H new ATOM 0 HG21 VAL A 54 30.754 46.352 -38.532 1.00 0.00 H new ATOM 0 HG22 VAL A 54 32.419 45.947 -39.013 1.00 0.00 H new ATOM 0 HG23 VAL A 54 31.369 44.697 -38.305 1.00 0.00 H new ATOM 814 N GLU A 55 35.238 46.666 -35.831 1.00 0.00 N ATOM 815 CA GLU A 55 36.455 47.444 -36.033 1.00 0.00 C ATOM 816 C GLU A 55 37.646 46.522 -36.273 1.00 0.00 C ATOM 817 O GLU A 55 38.318 46.620 -37.300 1.00 0.00 O ATOM 818 CB GLU A 55 36.723 48.327 -34.813 1.00 0.00 C ATOM 819 CG GLU A 55 37.801 49.358 -35.154 1.00 0.00 C ATOM 820 CD GLU A 55 39.188 48.733 -35.033 1.00 0.00 C ATOM 821 OE1 GLU A 55 39.341 47.822 -34.236 1.00 0.00 O ATOM 822 OE2 GLU A 55 40.078 49.175 -35.741 1.00 0.00 O ATOM 0 H GLU A 55 34.914 46.619 -34.865 1.00 0.00 H new ATOM 0 HA GLU A 55 36.318 48.076 -36.911 1.00 0.00 H new ATOM 0 HB2 GLU A 55 35.806 48.832 -34.508 1.00 0.00 H new ATOM 0 HB3 GLU A 55 37.045 47.714 -33.971 1.00 0.00 H new ATOM 0 HG2 GLU A 55 37.650 49.731 -36.167 1.00 0.00 H new ATOM 0 HG3 GLU A 55 37.720 50.214 -34.484 1.00 0.00 H new ATOM 829 N VAL A 56 37.910 45.635 -35.318 1.00 0.00 N ATOM 830 CA VAL A 56 39.032 44.710 -35.441 1.00 0.00 C ATOM 831 C VAL A 56 39.011 44.019 -36.802 1.00 0.00 C ATOM 832 O VAL A 56 40.057 43.649 -37.335 1.00 0.00 O ATOM 833 CB VAL A 56 38.980 43.665 -34.322 1.00 0.00 C ATOM 834 CG1 VAL A 56 38.093 42.492 -34.747 1.00 0.00 C ATOM 835 CG2 VAL A 56 40.396 43.155 -34.038 1.00 0.00 C ATOM 0 H VAL A 56 37.369 45.537 -34.459 1.00 0.00 H new ATOM 0 HA VAL A 56 39.958 45.278 -35.354 1.00 0.00 H new ATOM 0 HB VAL A 56 38.566 44.121 -33.423 1.00 0.00 H new ATOM 0 HG11 VAL A 56 38.060 41.752 -33.947 1.00 0.00 H new ATOM 0 HG12 VAL A 56 37.085 42.853 -34.949 1.00 0.00 H new ATOM 0 HG13 VAL A 56 38.502 42.034 -35.648 1.00 0.00 H new ATOM 0 HG21 VAL A 56 40.362 42.411 -33.242 1.00 0.00 H new ATOM 0 HG22 VAL A 56 40.808 42.702 -34.940 1.00 0.00 H new ATOM 0 HG23 VAL A 56 41.028 43.988 -33.729 1.00 0.00 H new ATOM 845 N LEU A 57 37.816 43.852 -37.361 1.00 0.00 N ATOM 846 CA LEU A 57 37.685 43.208 -38.663 1.00 0.00 C ATOM 847 C LEU A 57 38.336 44.069 -39.739 1.00 0.00 C ATOM 848 O LEU A 57 39.010 43.562 -40.636 1.00 0.00 O ATOM 849 CB LEU A 57 36.210 42.984 -39.002 1.00 0.00 C ATOM 850 CG LEU A 57 35.855 41.511 -38.790 1.00 0.00 C ATOM 851 CD1 LEU A 57 35.656 41.241 -37.298 1.00 0.00 C ATOM 852 CD2 LEU A 57 34.563 41.185 -39.543 1.00 0.00 C ATOM 0 H LEU A 57 36.936 44.149 -36.940 1.00 0.00 H new ATOM 0 HA LEU A 57 38.187 42.242 -38.624 1.00 0.00 H new ATOM 0 HB2 LEU A 57 35.582 43.615 -38.373 1.00 0.00 H new ATOM 0 HB3 LEU A 57 36.016 43.271 -40.036 1.00 0.00 H new ATOM 0 HG LEU A 57 36.665 40.886 -39.166 1.00 0.00 H new ATOM 0 HD11 LEU A 57 35.403 40.191 -37.149 1.00 0.00 H new ATOM 0 HD12 LEU A 57 36.576 41.473 -36.760 1.00 0.00 H new ATOM 0 HD13 LEU A 57 34.847 41.866 -36.920 1.00 0.00 H new ATOM 0 HD21 LEU A 57 34.309 40.136 -39.393 1.00 0.00 H new ATOM 0 HD22 LEU A 57 33.754 41.812 -39.166 1.00 0.00 H new ATOM 0 HD23 LEU A 57 34.704 41.375 -40.607 1.00 0.00 H new ATOM 864 N LYS A 58 38.138 45.379 -39.631 1.00 0.00 N ATOM 865 CA LYS A 58 38.716 46.319 -40.585 1.00 0.00 C ATOM 866 C LYS A 58 40.235 46.353 -40.453 1.00 0.00 C ATOM 867 O LYS A 58 40.951 46.424 -41.451 1.00 0.00 O ATOM 868 CB LYS A 58 38.154 47.721 -40.336 1.00 0.00 C ATOM 869 CG LYS A 58 36.686 47.771 -40.765 1.00 0.00 C ATOM 870 CD LYS A 58 36.600 47.868 -42.289 1.00 0.00 C ATOM 871 CE LYS A 58 35.144 48.078 -42.706 1.00 0.00 C ATOM 872 NZ LYS A 58 34.349 46.865 -42.359 1.00 0.00 N ATOM 0 H LYS A 58 37.583 45.813 -38.894 1.00 0.00 H new ATOM 0 HA LYS A 58 38.457 45.992 -41.592 1.00 0.00 H new ATOM 0 HB2 LYS A 58 38.243 47.977 -39.280 1.00 0.00 H new ATOM 0 HB3 LYS A 58 38.731 48.459 -40.893 1.00 0.00 H new ATOM 0 HG2 LYS A 58 36.164 46.879 -40.417 1.00 0.00 H new ATOM 0 HG3 LYS A 58 36.192 48.628 -40.307 1.00 0.00 H new ATOM 0 HD2 LYS A 58 37.214 48.694 -42.647 1.00 0.00 H new ATOM 0 HD3 LYS A 58 36.992 46.959 -42.744 1.00 0.00 H new ATOM 0 HE2 LYS A 58 34.732 48.952 -42.202 1.00 0.00 H new ATOM 0 HE3 LYS A 58 35.085 48.271 -43.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 33.430 46.902 -42.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 34.866 46.014 -42.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 34.196 46.833 -41.331 1.00 0.00 H new ATOM 886 N ARG A 59 40.720 46.314 -39.216 1.00 0.00 N ATOM 887 CA ARG A 59 42.158 46.352 -38.964 1.00 0.00 C ATOM 888 C ARG A 59 42.857 45.141 -39.577 1.00 0.00 C ATOM 889 O ARG A 59 43.978 45.249 -40.074 1.00 0.00 O ATOM 890 CB ARG A 59 42.423 46.386 -37.458 1.00 0.00 C ATOM 891 CG ARG A 59 43.928 46.502 -37.207 1.00 0.00 C ATOM 892 CD ARG A 59 44.188 46.636 -35.705 1.00 0.00 C ATOM 893 NE ARG A 59 45.622 46.733 -35.448 1.00 0.00 N ATOM 894 CZ ARG A 59 46.104 46.902 -34.215 1.00 0.00 C ATOM 895 NH1 ARG A 59 45.300 46.986 -33.186 1.00 0.00 N ATOM 896 NH2 ARG A 59 47.394 46.985 -34.034 1.00 0.00 N ATOM 0 H ARG A 59 40.143 46.256 -38.377 1.00 0.00 H new ATOM 0 HA ARG A 59 42.558 47.253 -39.428 1.00 0.00 H new ATOM 0 HB2 ARG A 59 41.902 47.230 -37.005 1.00 0.00 H new ATOM 0 HB3 ARG A 59 42.034 45.482 -36.989 1.00 0.00 H new ATOM 0 HG2 ARG A 59 44.441 45.624 -37.598 1.00 0.00 H new ATOM 0 HG3 ARG A 59 44.329 47.367 -37.735 1.00 0.00 H new ATOM 0 HD2 ARG A 59 43.681 47.520 -35.318 1.00 0.00 H new ATOM 0 HD3 ARG A 59 43.774 45.776 -35.179 1.00 0.00 H new ATOM 0 HE ARG A 59 46.272 46.670 -36.231 1.00 0.00 H new ATOM 0 HH11 ARG A 59 44.291 46.922 -33.321 1.00 0.00 H new ATOM 0 HH12 ARG A 59 45.682 47.115 -32.249 1.00 0.00 H new ATOM 0 HH21 ARG A 59 48.026 46.921 -34.832 1.00 0.00 H new ATOM 0 HH22 ARG A 59 47.770 47.114 -33.095 1.00 0.00 H new ATOM 910 N GLU A 60 42.196 43.988 -39.531 1.00 0.00 N ATOM 911 CA GLU A 60 42.776 42.766 -40.079 1.00 0.00 C ATOM 912 C GLU A 60 41.923 42.225 -41.222 1.00 0.00 C ATOM 913 O GLU A 60 41.198 41.245 -41.055 1.00 0.00 O ATOM 914 CB GLU A 60 42.886 41.707 -38.980 1.00 0.00 C ATOM 915 CG GLU A 60 43.794 42.222 -37.862 1.00 0.00 C ATOM 916 CD GLU A 60 45.234 42.307 -38.357 1.00 0.00 C ATOM 917 OE1 GLU A 60 45.525 41.702 -39.376 1.00 0.00 O ATOM 918 OE2 GLU A 60 46.023 42.976 -37.711 1.00 0.00 O ATOM 0 H GLU A 60 41.268 43.874 -39.124 1.00 0.00 H new ATOM 0 HA GLU A 60 43.768 43.001 -40.465 1.00 0.00 H new ATOM 0 HB2 GLU A 60 41.898 41.476 -38.583 1.00 0.00 H new ATOM 0 HB3 GLU A 60 43.288 40.781 -39.392 1.00 0.00 H new ATOM 0 HG2 GLU A 60 43.456 43.204 -37.531 1.00 0.00 H new ATOM 0 HG3 GLU A 60 43.736 41.558 -37.000 1.00 0.00 H new ATOM 925 N PRO A 61 42.001 42.840 -42.372 1.00 0.00 N ATOM 926 CA PRO A 61 41.224 42.410 -43.572 1.00 0.00 C ATOM 927 C PRO A 61 41.799 41.148 -44.216 1.00 0.00 C ATOM 928 O PRO A 61 41.175 40.550 -45.093 1.00 0.00 O ATOM 929 CB PRO A 61 41.341 43.605 -44.518 1.00 0.00 C ATOM 930 CG PRO A 61 42.624 44.274 -44.149 1.00 0.00 C ATOM 931 CD PRO A 61 42.840 44.015 -42.657 1.00 0.00 C ATOM 0 HA PRO A 61 40.195 42.151 -43.322 1.00 0.00 H new ATOM 0 HB2 PRO A 61 41.350 43.283 -45.559 1.00 0.00 H new ATOM 0 HB3 PRO A 61 40.496 44.283 -44.402 1.00 0.00 H new ATOM 0 HG2 PRO A 61 43.452 43.874 -44.735 1.00 0.00 H new ATOM 0 HG3 PRO A 61 42.576 45.344 -44.353 1.00 0.00 H new ATOM 0 HD2 PRO A 61 43.889 43.819 -42.434 1.00 0.00 H new ATOM 0 HD3 PRO A 61 42.541 44.874 -42.056 1.00 0.00 H new ATOM 939 N LEU A 62 42.991 40.751 -43.779 1.00 0.00 N ATOM 940 CA LEU A 62 43.641 39.567 -44.324 1.00 0.00 C ATOM 941 C LEU A 62 42.779 38.327 -44.108 1.00 0.00 C ATOM 942 O LEU A 62 42.690 37.465 -44.983 1.00 0.00 O ATOM 943 CB LEU A 62 45.002 39.368 -43.654 1.00 0.00 C ATOM 944 CG LEU A 62 45.712 38.171 -44.287 1.00 0.00 C ATOM 945 CD1 LEU A 62 47.154 38.552 -44.626 1.00 0.00 C ATOM 946 CD2 LEU A 62 45.712 37.000 -43.302 1.00 0.00 C ATOM 0 H LEU A 62 43.523 41.230 -43.053 1.00 0.00 H new ATOM 0 HA LEU A 62 43.778 39.713 -45.395 1.00 0.00 H new ATOM 0 HB2 LEU A 62 45.609 40.266 -43.767 1.00 0.00 H new ATOM 0 HB3 LEU A 62 44.872 39.203 -42.584 1.00 0.00 H new ATOM 0 HG LEU A 62 45.190 37.880 -45.199 1.00 0.00 H new ATOM 0 HD11 LEU A 62 47.659 37.698 -45.077 1.00 0.00 H new ATOM 0 HD12 LEU A 62 47.155 39.386 -45.327 1.00 0.00 H new ATOM 0 HD13 LEU A 62 47.677 38.843 -43.715 1.00 0.00 H new ATOM 0 HD21 LEU A 62 46.218 36.146 -43.752 1.00 0.00 H new ATOM 0 HD22 LEU A 62 46.233 37.291 -42.390 1.00 0.00 H new ATOM 0 HD23 LEU A 62 44.685 36.727 -43.061 1.00 0.00 H new ATOM 958 N ASN A 63 42.148 38.237 -42.942 1.00 0.00 N ATOM 959 CA ASN A 63 41.303 37.090 -42.635 1.00 0.00 C ATOM 960 C ASN A 63 40.103 37.043 -43.576 1.00 0.00 C ATOM 961 O ASN A 63 39.562 35.974 -43.857 1.00 0.00 O ATOM 962 CB ASN A 63 40.818 37.167 -41.185 1.00 0.00 C ATOM 963 CG ASN A 63 39.688 38.183 -41.065 1.00 0.00 C ATOM 964 OD1 ASN A 63 39.766 39.271 -41.633 1.00 0.00 O ATOM 965 ND2 ASN A 63 38.633 37.890 -40.355 1.00 0.00 N ATOM 0 H ASN A 63 42.205 38.936 -42.202 1.00 0.00 H new ATOM 0 HA ASN A 63 41.892 36.183 -42.770 1.00 0.00 H new ATOM 0 HB2 ASN A 63 40.473 36.187 -40.856 1.00 0.00 H new ATOM 0 HB3 ASN A 63 41.643 37.450 -40.532 1.00 0.00 H new ATOM 0 HD21 ASN A 63 37.872 38.564 -40.271 1.00 0.00 H new ATOM 0 HD22 ASN A 63 38.570 36.987 -39.884 1.00 0.00 H new ATOM 972 N TYR A 64 39.692 38.212 -44.059 1.00 0.00 N ATOM 973 CA TYR A 64 38.555 38.294 -44.969 1.00 0.00 C ATOM 974 C TYR A 64 38.949 37.806 -46.359 1.00 0.00 C ATOM 975 O TYR A 64 38.197 37.085 -47.015 1.00 0.00 O ATOM 976 CB TYR A 64 38.060 39.740 -45.055 1.00 0.00 C ATOM 977 CG TYR A 64 36.851 39.807 -45.957 1.00 0.00 C ATOM 978 CD1 TYR A 64 35.598 39.405 -45.479 1.00 0.00 C ATOM 979 CD2 TYR A 64 36.983 40.272 -47.271 1.00 0.00 C ATOM 980 CE1 TYR A 64 34.476 39.468 -46.315 1.00 0.00 C ATOM 981 CE2 TYR A 64 35.861 40.335 -48.107 1.00 0.00 C ATOM 982 CZ TYR A 64 34.608 39.933 -47.629 1.00 0.00 C ATOM 983 OH TYR A 64 33.503 39.995 -48.453 1.00 0.00 O ATOM 0 H TYR A 64 40.125 39.108 -43.838 1.00 0.00 H new ATOM 0 HA TYR A 64 37.757 37.659 -44.585 1.00 0.00 H new ATOM 0 HB2 TYR A 64 37.806 40.108 -44.061 1.00 0.00 H new ATOM 0 HB3 TYR A 64 38.851 40.384 -45.441 1.00 0.00 H new ATOM 0 HD1 TYR A 64 35.497 39.046 -44.465 1.00 0.00 H new ATOM 0 HD2 TYR A 64 37.950 40.582 -47.640 1.00 0.00 H new ATOM 0 HE1 TYR A 64 33.509 39.158 -45.946 1.00 0.00 H new ATOM 0 HE2 TYR A 64 35.962 40.694 -49.121 1.00 0.00 H new ATOM 0 HH TYR A 64 33.768 40.341 -49.331 1.00 0.00 H new ATOM 993 N LEU A 65 40.137 38.209 -46.798 1.00 0.00 N ATOM 994 CA LEU A 65 40.635 37.814 -48.111 1.00 0.00 C ATOM 995 C LEU A 65 40.913 36.311 -48.142 1.00 0.00 C ATOM 996 O LEU A 65 41.088 35.688 -47.094 1.00 0.00 O ATOM 997 CB LEU A 65 41.919 38.584 -48.428 1.00 0.00 C ATOM 998 CG LEU A 65 41.607 40.077 -48.551 1.00 0.00 C ATOM 999 CD1 LEU A 65 42.915 40.867 -48.619 1.00 0.00 C ATOM 1000 CD2 LEU A 65 40.794 40.328 -49.825 1.00 0.00 C ATOM 0 H LEU A 65 40.770 38.806 -46.267 1.00 0.00 H new ATOM 0 HA LEU A 65 39.878 38.047 -48.860 1.00 0.00 H new ATOM 0 HB2 LEU A 65 42.656 38.420 -47.642 1.00 0.00 H new ATOM 0 HB3 LEU A 65 42.356 38.216 -49.356 1.00 0.00 H new ATOM 0 HG LEU A 65 41.031 40.399 -47.684 1.00 0.00 H new ATOM 0 HD11 LEU A 65 42.694 41.931 -48.707 1.00 0.00 H new ATOM 0 HD12 LEU A 65 43.494 40.690 -47.713 1.00 0.00 H new ATOM 0 HD13 LEU A 65 43.491 40.544 -49.486 1.00 0.00 H new ATOM 0 HD21 LEU A 65 40.572 41.392 -49.912 1.00 0.00 H new ATOM 0 HD22 LEU A 65 41.369 40.005 -50.693 1.00 0.00 H new ATOM 0 HD23 LEU A 65 39.861 39.766 -49.778 1.00 0.00 H new ATOM 1012 N PRO A 66 40.956 35.718 -49.310 1.00 0.00 N ATOM 1013 CA PRO A 66 41.217 34.254 -49.455 1.00 0.00 C ATOM 1014 C PRO A 66 42.473 33.817 -48.706 1.00 0.00 C ATOM 1015 O PRO A 66 43.487 34.515 -48.714 1.00 0.00 O ATOM 1016 CB PRO A 66 41.388 34.059 -50.964 1.00 0.00 C ATOM 1017 CG PRO A 66 40.658 35.197 -51.594 1.00 0.00 C ATOM 1018 CD PRO A 66 40.760 36.368 -50.618 1.00 0.00 C ATOM 0 HA PRO A 66 40.411 33.654 -49.033 1.00 0.00 H new ATOM 0 HB2 PRO A 66 42.441 34.064 -51.244 1.00 0.00 H new ATOM 0 HB3 PRO A 66 40.977 33.102 -51.286 1.00 0.00 H new ATOM 0 HG2 PRO A 66 41.098 35.455 -52.557 1.00 0.00 H new ATOM 0 HG3 PRO A 66 39.616 34.935 -51.779 1.00 0.00 H new ATOM 0 HD2 PRO A 66 41.593 37.025 -50.867 1.00 0.00 H new ATOM 0 HD3 PRO A 66 39.857 36.979 -50.630 1.00 0.00 H new