USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 658 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 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 8 THR OG1 : rot -75:sc= 1.2 USER MOD Single : A 10 CYS SG : rot -150:sc= -0.039 USER MOD Single : A 11 SER OG : rot 85:sc= 0.434 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HE2:sc= 0.893 K(o=0.89,f=-2.9!) USER MOD Single : A 15 THR OG1 : rot 104:sc= 1.28 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0331 X(o=-0.033,f=-0.033) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 1.23 (180deg=1.23) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl 177:sc= 0 (180deg=-0.0156) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -165:sc=-0.00937 (180deg=-0.277) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0177 K(o=-0.018,f=-0.83) USER MOD Single : A 72 MET CE :methyl -168:sc= 0 (180deg=-0.284) USER MOD Single : A 74 ASN : amide:sc= 0.574 K(o=0.57,f=-5.4!) USER MOD Single : A 75 MET CE :methyl -177:sc=-0.00181 (180deg=-0.018) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 78:sc= 1.19 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -85:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 12 N GLY A 2 11.035 5.652 6.942 1.00 1.31 N ATOM 13 CA GLY A 2 9.718 5.209 6.455 1.00 0.88 C ATOM 14 C GLY A 2 8.704 4.765 7.523 1.00 0.70 C ATOM 15 O GLY A 2 7.500 4.895 7.314 1.00 0.69 O ATOM 0 HA2 GLY A 2 9.275 6.023 5.882 1.00 0.88 H new ATOM 0 HA3 GLY A 2 9.871 4.380 5.765 1.00 0.88 H new ATOM 19 N GLU A 3 9.147 4.308 8.696 1.00 0.73 N ATOM 20 CA GLU A 3 8.269 3.858 9.784 1.00 0.73 C ATOM 21 C GLU A 3 7.393 4.995 10.325 1.00 0.72 C ATOM 22 O GLU A 3 6.190 4.818 10.516 1.00 0.74 O ATOM 23 CB GLU A 3 9.118 3.251 10.913 1.00 0.96 C ATOM 24 CG GLU A 3 8.234 2.602 11.988 1.00 1.48 C ATOM 25 CD GLU A 3 9.033 2.206 13.228 1.00 2.25 C ATOM 26 OE1 GLU A 3 9.921 1.328 13.139 1.00 2.87 O ATOM 27 OE2 GLU A 3 8.738 2.757 14.317 1.00 3.21 O ATOM 0 H GLU A 3 10.139 4.238 8.922 1.00 0.73 H new ATOM 0 HA GLU A 3 7.597 3.100 9.382 1.00 0.73 H new ATOM 0 HB2 GLU A 3 9.798 2.506 10.500 1.00 0.96 H new ATOM 0 HB3 GLU A 3 9.734 4.028 11.366 1.00 0.96 H new ATOM 0 HG2 GLU A 3 7.443 3.296 12.273 1.00 1.48 H new ATOM 0 HG3 GLU A 3 7.749 1.719 11.573 1.00 1.48 H new ATOM 34 N GLN A 4 7.967 6.183 10.536 1.00 0.78 N ATOM 35 CA GLN A 4 7.207 7.318 11.072 1.00 0.88 C ATOM 36 C GLN A 4 6.270 7.946 10.021 1.00 0.77 C ATOM 37 O GLN A 4 5.252 8.535 10.383 1.00 0.88 O ATOM 38 CB GLN A 4 8.129 8.303 11.809 1.00 1.27 C ATOM 39 CG GLN A 4 8.896 7.560 12.926 1.00 2.39 C ATOM 40 CD GLN A 4 9.628 8.454 13.920 1.00 2.93 C ATOM 41 OE1 GLN A 4 9.601 9.675 13.870 1.00 2.87 O ATOM 42 NE2 GLN A 4 10.303 7.857 14.876 1.00 4.20 N ATOM 0 H GLN A 4 8.949 6.384 10.346 1.00 0.78 H new ATOM 0 HA GLN A 4 6.522 6.949 11.835 1.00 0.88 H new ATOM 0 HB2 GLN A 4 8.832 8.752 11.108 1.00 1.27 H new ATOM 0 HB3 GLN A 4 7.542 9.116 12.236 1.00 1.27 H new ATOM 0 HG2 GLN A 4 8.191 6.936 13.475 1.00 2.39 H new ATOM 0 HG3 GLN A 4 9.621 6.890 12.463 1.00 2.39 H new ATOM 0 HE21 GLN A 4 10.329 6.838 14.922 1.00 4.20 H new ATOM 0 HE22 GLN A 4 10.801 8.412 15.572 1.00 4.20 H new ATOM 51 N ILE A 5 6.521 7.708 8.727 1.00 0.70 N ATOM 52 CA ILE A 5 5.549 7.937 7.643 1.00 0.73 C ATOM 53 C ILE A 5 4.398 6.935 7.773 1.00 0.68 C ATOM 54 O ILE A 5 3.253 7.359 7.838 1.00 0.74 O ATOM 55 CB ILE A 5 6.218 7.870 6.250 1.00 0.80 C ATOM 56 CG1 ILE A 5 7.400 8.862 6.168 1.00 0.94 C ATOM 57 CG2 ILE A 5 5.181 8.153 5.146 1.00 0.90 C ATOM 58 CD1 ILE A 5 8.170 8.788 4.848 1.00 1.06 C ATOM 0 H ILE A 5 7.416 7.346 8.396 1.00 0.70 H new ATOM 0 HA ILE A 5 5.146 8.945 7.738 1.00 0.73 H new ATOM 0 HB ILE A 5 6.612 6.865 6.098 1.00 0.80 H new ATOM 0 HG12 ILE A 5 7.023 9.876 6.303 1.00 0.94 H new ATOM 0 HG13 ILE A 5 8.087 8.665 6.991 1.00 0.94 H new ATOM 0 HG21 ILE A 5 5.665 8.103 4.171 1.00 0.90 H new ATOM 0 HG22 ILE A 5 4.385 7.410 5.195 1.00 0.90 H new ATOM 0 HG23 ILE A 5 4.758 9.147 5.290 1.00 0.90 H new ATOM 0 HD11 ILE A 5 8.985 9.512 4.861 1.00 1.06 H new ATOM 0 HD12 ILE A 5 8.577 7.785 4.720 1.00 1.06 H new ATOM 0 HD13 ILE A 5 7.497 9.014 4.021 1.00 1.06 H new ATOM 70 N PHE A 6 4.652 5.627 7.913 1.00 0.62 N ATOM 71 CA PHE A 6 3.574 4.650 8.155 1.00 0.59 C ATOM 72 C PHE A 6 2.695 5.050 9.361 1.00 0.66 C ATOM 73 O PHE A 6 1.473 5.171 9.219 1.00 0.83 O ATOM 74 CB PHE A 6 4.165 3.237 8.318 1.00 0.58 C ATOM 75 CG PHE A 6 3.202 2.252 8.950 1.00 0.79 C ATOM 76 CD1 PHE A 6 2.129 1.734 8.200 1.00 1.51 C ATOM 77 CD2 PHE A 6 3.324 1.926 10.315 1.00 1.58 C ATOM 78 CE1 PHE A 6 1.169 0.915 8.820 1.00 1.77 C ATOM 79 CE2 PHE A 6 2.365 1.103 10.931 1.00 1.99 C ATOM 80 CZ PHE A 6 1.283 0.607 10.188 1.00 1.71 C ATOM 0 H PHE A 6 5.586 5.220 7.864 1.00 0.62 H new ATOM 0 HA PHE A 6 2.917 4.645 7.285 1.00 0.59 H new ATOM 0 HB2 PHE A 6 4.467 2.862 7.340 1.00 0.58 H new ATOM 0 HB3 PHE A 6 5.066 3.296 8.929 1.00 0.58 H new ATOM 0 HD1 PHE A 6 2.043 1.966 7.149 1.00 1.51 H new ATOM 0 HD2 PHE A 6 4.155 2.309 10.889 1.00 1.58 H new ATOM 0 HE1 PHE A 6 0.343 0.522 8.246 1.00 1.77 H new ATOM 0 HE2 PHE A 6 2.461 0.852 11.977 1.00 1.99 H new ATOM 0 HZ PHE A 6 0.538 -0.011 10.666 1.00 1.71 H new ATOM 90 N ARG A 7 3.323 5.344 10.510 1.00 0.66 N ATOM 91 CA ARG A 7 2.676 5.747 11.775 1.00 0.82 C ATOM 92 C ARG A 7 1.803 7.007 11.659 1.00 0.93 C ATOM 93 O ARG A 7 0.818 7.133 12.388 1.00 1.14 O ATOM 94 CB ARG A 7 3.798 5.951 12.812 1.00 0.89 C ATOM 95 CG ARG A 7 3.308 6.380 14.204 1.00 1.24 C ATOM 96 CD ARG A 7 4.483 6.455 15.188 1.00 2.00 C ATOM 97 NE ARG A 7 4.111 7.135 16.439 1.00 2.97 N ATOM 98 CZ ARG A 7 3.440 6.593 17.474 1.00 3.72 C ATOM 99 NH1 ARG A 7 3.032 5.314 17.464 1.00 4.03 N ATOM 100 NH2 ARG A 7 3.170 7.356 18.541 1.00 4.82 N ATOM 0 H ARG A 7 4.339 5.307 10.590 1.00 0.66 H new ATOM 0 HA ARG A 7 1.983 4.961 12.075 1.00 0.82 H new ATOM 0 HB2 ARG A 7 4.360 5.022 12.909 1.00 0.89 H new ATOM 0 HB3 ARG A 7 4.490 6.704 12.436 1.00 0.89 H new ATOM 0 HG2 ARG A 7 2.817 7.351 14.140 1.00 1.24 H new ATOM 0 HG3 ARG A 7 2.565 5.671 14.569 1.00 1.24 H new ATOM 0 HD2 ARG A 7 4.832 5.447 15.413 1.00 2.00 H new ATOM 0 HD3 ARG A 7 5.314 6.984 14.721 1.00 2.00 H new ATOM 0 HE ARG A 7 4.388 8.112 16.532 1.00 2.97 H new ATOM 0 HH11 ARG A 7 3.228 4.722 16.657 1.00 4.03 H new ATOM 0 HH12 ARG A 7 2.526 4.934 18.264 1.00 4.03 H new ATOM 0 HH21 ARG A 7 3.471 8.330 18.561 1.00 4.82 H new ATOM 0 HH22 ARG A 7 2.663 6.963 19.334 1.00 4.82 H new ATOM 114 N THR A 8 2.115 7.932 10.751 1.00 0.88 N ATOM 115 CA THR A 8 1.370 9.195 10.562 1.00 1.04 C ATOM 116 C THR A 8 0.391 9.168 9.380 1.00 1.12 C ATOM 117 O THR A 8 -0.684 9.771 9.451 1.00 1.34 O ATOM 118 CB THR A 8 2.345 10.372 10.412 1.00 1.11 C ATOM 119 OG1 THR A 8 3.278 10.119 9.392 1.00 1.24 O ATOM 120 CG2 THR A 8 3.114 10.660 11.698 1.00 1.16 C ATOM 0 H THR A 8 2.903 7.831 10.112 1.00 0.88 H new ATOM 0 HA THR A 8 0.763 9.323 11.458 1.00 1.04 H new ATOM 0 HB THR A 8 1.734 11.240 10.166 1.00 1.11 H new ATOM 0 HG1 THR A 8 3.943 9.473 9.710 1.00 1.24 H new ATOM 0 HG21 THR A 8 3.789 11.501 11.538 1.00 1.16 H new ATOM 0 HG22 THR A 8 2.412 10.905 12.495 1.00 1.16 H new ATOM 0 HG23 THR A 8 3.691 9.780 11.982 1.00 1.16 H new ATOM 128 N ARG A 9 0.719 8.448 8.301 1.00 1.04 N ATOM 129 CA ARG A 9 0.118 8.553 6.967 1.00 1.36 C ATOM 130 C ARG A 9 -0.707 7.327 6.536 1.00 1.36 C ATOM 131 O ARG A 9 -1.499 7.451 5.607 1.00 1.65 O ATOM 132 CB ARG A 9 1.256 8.838 5.961 1.00 1.69 C ATOM 133 CG ARG A 9 0.865 9.532 4.646 1.00 2.14 C ATOM 134 CD ARG A 9 0.237 10.912 4.890 1.00 1.50 C ATOM 135 NE ARG A 9 0.587 11.871 3.831 1.00 2.23 N ATOM 136 CZ ARG A 9 0.013 13.075 3.655 1.00 2.69 C ATOM 137 NH1 ARG A 9 -1.050 13.459 4.378 1.00 3.03 N ATOM 138 NH2 ARG A 9 0.516 13.919 2.743 1.00 3.70 N ATOM 0 H ARG A 9 1.451 7.738 8.337 1.00 1.04 H new ATOM 0 HA ARG A 9 -0.608 9.366 6.993 1.00 1.36 H new ATOM 0 HB2 ARG A 9 2.004 9.454 6.460 1.00 1.69 H new ATOM 0 HB3 ARG A 9 1.736 7.891 5.715 1.00 1.69 H new ATOM 0 HG2 ARG A 9 1.748 9.642 4.017 1.00 2.14 H new ATOM 0 HG3 ARG A 9 0.161 8.904 4.100 1.00 2.14 H new ATOM 0 HD2 ARG A 9 -0.847 10.812 4.945 1.00 1.50 H new ATOM 0 HD3 ARG A 9 0.571 11.297 5.853 1.00 1.50 H new ATOM 0 HE ARG A 9 1.323 11.602 3.178 1.00 2.23 H new ATOM 0 HH11 ARG A 9 -1.442 12.832 5.081 1.00 3.03 H new ATOM 0 HH12 ARG A 9 -1.466 14.377 4.225 1.00 3.03 H new ATOM 0 HH21 ARG A 9 1.328 13.646 2.189 1.00 3.70 H new ATOM 0 HH22 ARG A 9 0.087 14.834 2.603 1.00 3.70 H new ATOM 152 N CYS A 10 -0.542 6.166 7.191 1.00 1.13 N ATOM 153 CA CYS A 10 -1.149 4.890 6.753 1.00 1.10 C ATOM 154 C CYS A 10 -1.647 3.931 7.857 1.00 1.10 C ATOM 155 O CYS A 10 -2.269 2.916 7.528 1.00 1.16 O ATOM 156 CB CYS A 10 -0.124 4.118 5.904 1.00 1.13 C ATOM 157 SG CYS A 10 0.428 4.904 4.362 1.00 1.46 S ATOM 0 H CYS A 10 0.016 6.082 8.041 1.00 1.13 H new ATOM 0 HA CYS A 10 -2.042 5.198 6.209 1.00 1.10 H new ATOM 0 HB2 CYS A 10 0.754 3.930 6.522 1.00 1.13 H new ATOM 0 HB3 CYS A 10 -0.553 3.147 5.655 1.00 1.13 H new ATOM 0 HG CYS A 10 0.734 3.987 3.493 1.00 1.46 H new ATOM 162 N SER A 11 -1.356 4.181 9.140 1.00 1.12 N ATOM 163 CA SER A 11 -1.492 3.189 10.227 1.00 1.19 C ATOM 164 C SER A 11 -2.908 3.045 10.818 1.00 1.20 C ATOM 165 O SER A 11 -3.227 2.013 11.417 1.00 1.80 O ATOM 166 CB SER A 11 -0.466 3.530 11.314 1.00 1.32 C ATOM 167 OG SER A 11 -0.387 2.549 12.321 1.00 1.96 O ATOM 0 H SER A 11 -1.015 5.087 9.462 1.00 1.12 H new ATOM 0 HA SER A 11 -1.299 2.209 9.790 1.00 1.19 H new ATOM 0 HB2 SER A 11 0.515 3.652 10.855 1.00 1.32 H new ATOM 0 HB3 SER A 11 -0.728 4.487 11.766 1.00 1.32 H new ATOM 0 HG SER A 11 0.226 1.838 12.038 1.00 1.96 H new ATOM 173 N SER A 12 -3.812 4.010 10.605 1.00 1.57 N ATOM 174 CA SER A 12 -5.160 4.016 11.216 1.00 1.64 C ATOM 175 C SER A 12 -6.095 2.891 10.723 1.00 1.36 C ATOM 176 O SER A 12 -7.166 2.686 11.300 1.00 1.59 O ATOM 177 CB SER A 12 -5.826 5.387 11.034 1.00 2.00 C ATOM 178 OG SER A 12 -5.028 6.406 11.618 1.00 2.88 O ATOM 0 H SER A 12 -3.634 4.814 10.003 1.00 1.57 H new ATOM 0 HA SER A 12 -5.000 3.816 12.275 1.00 1.64 H new ATOM 0 HB2 SER A 12 -5.969 5.591 9.973 1.00 2.00 H new ATOM 0 HB3 SER A 12 -6.814 5.382 11.493 1.00 2.00 H new ATOM 0 HG SER A 12 -5.464 7.275 11.493 1.00 2.88 H new ATOM 184 N CYS A 13 -5.673 2.132 9.704 1.00 1.03 N ATOM 185 CA CYS A 13 -6.335 0.921 9.187 1.00 0.81 C ATOM 186 C CYS A 13 -5.383 -0.277 9.004 1.00 0.82 C ATOM 187 O CYS A 13 -5.755 -1.256 8.351 1.00 1.14 O ATOM 188 CB CYS A 13 -6.962 1.222 7.823 1.00 0.82 C ATOM 189 SG CYS A 13 -8.016 2.692 7.679 1.00 0.82 S ATOM 0 H CYS A 13 -4.820 2.354 9.191 1.00 1.03 H new ATOM 0 HA CYS A 13 -7.080 0.648 9.934 1.00 0.81 H new ATOM 0 HB2 CYS A 13 -6.154 1.317 7.097 1.00 0.82 H new ATOM 0 HB3 CYS A 13 -7.554 0.356 7.529 1.00 0.82 H new ATOM 0 HG CYS A 13 -8.457 2.792 6.460 1.00 0.82 H new ATOM 194 N HIS A 14 -4.134 -0.182 9.484 1.00 0.83 N ATOM 195 CA HIS A 14 -3.065 -1.136 9.179 1.00 0.91 C ATOM 196 C HIS A 14 -2.089 -1.423 10.332 1.00 0.88 C ATOM 197 O HIS A 14 -2.088 -0.796 11.391 1.00 1.06 O ATOM 198 CB HIS A 14 -2.292 -0.638 7.944 1.00 1.29 C ATOM 199 CG HIS A 14 -2.992 -0.903 6.649 1.00 0.59 C ATOM 200 ND1 HIS A 14 -3.520 -2.099 6.237 1.00 1.64 N ATOM 201 CD2 HIS A 14 -3.153 -0.003 5.645 1.00 0.95 C ATOM 202 CE1 HIS A 14 -3.997 -1.921 4.997 1.00 1.95 C ATOM 203 NE2 HIS A 14 -3.805 -0.648 4.577 1.00 0.70 N ATOM 0 H HIS A 14 -3.837 0.572 10.104 1.00 0.83 H new ATOM 0 HA HIS A 14 -3.558 -2.090 8.990 1.00 0.91 H new ATOM 0 HB2 HIS A 14 -2.121 0.434 8.042 1.00 1.29 H new ATOM 0 HB3 HIS A 14 -1.313 -1.116 7.922 1.00 1.29 H new ATOM 0 HD1 HIS A 14 -3.545 -2.965 6.775 1.00 1.64 H new ATOM 0 HD2 HIS A 14 -2.836 1.029 5.663 1.00 0.95 H new ATOM 0 HE1 HIS A 14 -4.473 -2.692 4.409 1.00 1.95 H new ATOM 211 N THR A 15 -1.220 -2.389 10.043 1.00 0.89 N ATOM 212 CA THR A 15 -0.126 -2.909 10.877 1.00 0.92 C ATOM 213 C THR A 15 1.016 -3.397 9.982 1.00 0.89 C ATOM 214 O THR A 15 0.775 -3.880 8.872 1.00 0.87 O ATOM 215 CB THR A 15 -0.580 -4.082 11.767 1.00 1.12 C ATOM 216 OG1 THR A 15 -1.300 -5.037 11.015 1.00 1.66 O ATOM 217 CG2 THR A 15 -1.477 -3.643 12.922 1.00 1.47 C ATOM 0 H THR A 15 -1.262 -2.872 9.146 1.00 0.89 H new ATOM 0 HA THR A 15 0.202 -2.094 11.521 1.00 0.92 H new ATOM 0 HB THR A 15 0.338 -4.508 12.171 1.00 1.12 H new ATOM 0 HG1 THR A 15 -0.731 -5.816 10.845 1.00 1.66 H new ATOM 0 HG21 THR A 15 -1.763 -4.514 13.512 1.00 1.47 H new ATOM 0 HG22 THR A 15 -0.937 -2.938 13.554 1.00 1.47 H new ATOM 0 HG23 THR A 15 -2.372 -3.163 12.526 1.00 1.47 H new ATOM 225 N VAL A 16 2.253 -3.307 10.463 1.00 1.04 N ATOM 226 CA VAL A 16 3.424 -3.967 9.866 1.00 1.12 C ATOM 227 C VAL A 16 3.910 -5.020 10.859 1.00 1.28 C ATOM 228 O VAL A 16 4.719 -4.746 11.741 1.00 1.58 O ATOM 229 CB VAL A 16 4.534 -2.974 9.461 1.00 1.30 C ATOM 230 CG1 VAL A 16 5.552 -3.676 8.554 1.00 1.59 C ATOM 231 CG2 VAL A 16 3.985 -1.764 8.694 1.00 1.61 C ATOM 0 H VAL A 16 2.480 -2.763 11.296 1.00 1.04 H new ATOM 0 HA VAL A 16 3.139 -4.443 8.928 1.00 1.12 H new ATOM 0 HB VAL A 16 4.995 -2.626 10.385 1.00 1.30 H new ATOM 0 HG11 VAL A 16 6.334 -2.971 8.271 1.00 1.59 H new ATOM 0 HG12 VAL A 16 5.997 -4.516 9.088 1.00 1.59 H new ATOM 0 HG13 VAL A 16 5.050 -4.041 7.658 1.00 1.59 H new ATOM 0 HG21 VAL A 16 4.806 -1.096 8.432 1.00 1.61 H new ATOM 0 HG22 VAL A 16 3.490 -2.104 7.784 1.00 1.61 H new ATOM 0 HG23 VAL A 16 3.269 -1.231 9.320 1.00 1.61 H new ATOM 241 N GLY A 17 3.323 -6.210 10.770 1.00 1.24 N ATOM 242 CA GLY A 17 3.635 -7.359 11.636 1.00 1.46 C ATOM 243 C GLY A 17 2.996 -7.331 13.035 1.00 1.67 C ATOM 244 O GLY A 17 2.810 -8.388 13.638 1.00 1.86 O ATOM 0 H GLY A 17 2.600 -6.414 10.080 1.00 1.24 H new ATOM 0 HA2 GLY A 17 3.317 -8.270 11.129 1.00 1.46 H new ATOM 0 HA3 GLY A 17 4.717 -7.420 11.752 1.00 1.46 H new ATOM 376 N PRO A 28 -6.021 -5.793 6.271 1.00 1.69 N ATOM 377 CA PRO A 28 -4.892 -6.721 6.414 1.00 1.35 C ATOM 378 C PRO A 28 -3.552 -6.054 6.766 1.00 1.17 C ATOM 379 O PRO A 28 -3.399 -4.832 6.722 1.00 1.33 O ATOM 380 CB PRO A 28 -4.821 -7.476 5.077 1.00 1.88 C ATOM 381 CG PRO A 28 -5.399 -6.474 4.078 1.00 2.38 C ATOM 382 CD PRO A 28 -6.508 -5.818 4.895 1.00 2.25 C ATOM 0 HA PRO A 28 -5.063 -7.382 7.264 1.00 1.35 H new ATOM 0 HB2 PRO A 28 -3.797 -7.751 4.824 1.00 1.88 H new ATOM 0 HB3 PRO A 28 -5.402 -8.398 5.104 1.00 1.88 H new ATOM 0 HG2 PRO A 28 -4.653 -5.751 3.747 1.00 2.38 H new ATOM 0 HG3 PRO A 28 -5.786 -6.965 3.185 1.00 2.38 H new ATOM 0 HD2 PRO A 28 -6.716 -4.811 4.535 1.00 2.25 H new ATOM 0 HD3 PRO A 28 -7.437 -6.382 4.818 1.00 2.25 H new ATOM 390 N ASP A 29 -2.573 -6.885 7.119 1.00 1.15 N ATOM 391 CA ASP A 29 -1.194 -6.510 7.458 1.00 1.15 C ATOM 392 C ASP A 29 -0.320 -6.205 6.219 1.00 1.18 C ATOM 393 O ASP A 29 -0.677 -6.549 5.089 1.00 1.54 O ATOM 394 CB ASP A 29 -0.600 -7.655 8.285 1.00 1.40 C ATOM 395 CG ASP A 29 0.636 -7.229 9.065 1.00 2.14 C ATOM 396 OD1 ASP A 29 0.468 -6.723 10.197 1.00 3.27 O ATOM 397 OD2 ASP A 29 1.762 -7.423 8.558 1.00 2.80 O ATOM 0 H ASP A 29 -2.724 -7.892 7.181 1.00 1.15 H new ATOM 0 HA ASP A 29 -1.210 -5.580 8.026 1.00 1.15 H new ATOM 0 HB2 ASP A 29 -1.354 -8.027 8.979 1.00 1.40 H new ATOM 0 HB3 ASP A 29 -0.341 -8.481 7.623 1.00 1.40 H new ATOM 402 N LEU A 30 0.835 -5.561 6.422 1.00 0.96 N ATOM 403 CA LEU A 30 1.741 -5.095 5.357 1.00 1.04 C ATOM 404 C LEU A 30 3.133 -5.760 5.358 1.00 1.05 C ATOM 405 O LEU A 30 3.942 -5.467 4.475 1.00 1.28 O ATOM 406 CB LEU A 30 1.910 -3.568 5.467 1.00 1.12 C ATOM 407 CG LEU A 30 0.617 -2.754 5.642 1.00 1.13 C ATOM 408 CD1 LEU A 30 0.954 -1.264 5.755 1.00 1.28 C ATOM 409 CD2 LEU A 30 -0.334 -2.913 4.449 1.00 1.36 C ATOM 0 H LEU A 30 1.178 -5.342 7.357 1.00 0.96 H new ATOM 0 HA LEU A 30 1.271 -5.384 4.417 1.00 1.04 H new ATOM 0 HB2 LEU A 30 2.566 -3.356 6.311 1.00 1.12 H new ATOM 0 HB3 LEU A 30 2.419 -3.214 4.571 1.00 1.12 H new ATOM 0 HG LEU A 30 0.131 -3.128 6.543 1.00 1.13 H new ATOM 0 HD11 LEU A 30 0.035 -0.691 5.879 1.00 1.28 H new ATOM 0 HD12 LEU A 30 1.601 -1.102 6.617 1.00 1.28 H new ATOM 0 HD13 LEU A 30 1.466 -0.937 4.850 1.00 1.28 H new ATOM 0 HD21 LEU A 30 -1.233 -2.320 4.618 1.00 1.36 H new ATOM 0 HD22 LEU A 30 0.161 -2.570 3.541 1.00 1.36 H new ATOM 0 HD23 LEU A 30 -0.607 -3.962 4.339 1.00 1.36 H new ATOM 421 N LEU A 31 3.457 -6.603 6.345 1.00 0.99 N ATOM 422 CA LEU A 31 4.811 -7.136 6.522 1.00 1.16 C ATOM 423 C LEU A 31 5.313 -7.897 5.284 1.00 1.33 C ATOM 424 O LEU A 31 4.665 -8.805 4.753 1.00 1.64 O ATOM 425 CB LEU A 31 4.904 -7.925 7.821 1.00 1.15 C ATOM 426 CG LEU A 31 6.330 -8.399 8.140 1.00 1.44 C ATOM 427 CD1 LEU A 31 6.677 -8.147 9.601 1.00 2.75 C ATOM 428 CD2 LEU A 31 6.491 -9.877 7.835 1.00 1.74 C ATOM 0 H LEU A 31 2.789 -6.934 7.042 1.00 0.99 H new ATOM 0 HA LEU A 31 5.502 -6.298 6.616 1.00 1.16 H new ATOM 0 HB2 LEU A 31 4.542 -7.306 8.642 1.00 1.15 H new ATOM 0 HB3 LEU A 31 4.245 -8.791 7.761 1.00 1.15 H new ATOM 0 HG LEU A 31 7.010 -7.827 7.509 1.00 1.44 H new ATOM 0 HD11 LEU A 31 7.692 -8.492 9.799 1.00 2.75 H new ATOM 0 HD12 LEU A 31 6.609 -7.080 9.812 1.00 2.75 H new ATOM 0 HD13 LEU A 31 5.979 -8.688 10.239 1.00 2.75 H new ATOM 0 HD21 LEU A 31 7.509 -10.188 8.069 1.00 1.74 H new ATOM 0 HD22 LEU A 31 5.788 -10.452 8.438 1.00 1.74 H new ATOM 0 HD23 LEU A 31 6.292 -10.054 6.778 1.00 1.74 H new ATOM 440 N GLY A 32 6.485 -7.457 4.834 1.00 1.79 N ATOM 441 CA GLY A 32 7.203 -7.922 3.644 1.00 2.18 C ATOM 442 C GLY A 32 6.466 -7.813 2.300 1.00 1.93 C ATOM 443 O GLY A 32 6.959 -8.387 1.334 1.00 2.04 O ATOM 0 H GLY A 32 6.994 -6.719 5.320 1.00 1.79 H new ATOM 0 HA2 GLY A 32 8.133 -7.359 3.567 1.00 2.18 H new ATOM 0 HA3 GLY A 32 7.475 -8.966 3.798 1.00 2.18 H new ATOM 447 N VAL A 33 5.318 -7.127 2.190 1.00 1.61 N ATOM 448 CA VAL A 33 4.362 -7.278 1.059 1.00 1.30 C ATOM 449 C VAL A 33 4.941 -7.042 -0.353 1.00 0.91 C ATOM 450 O VAL A 33 4.423 -7.591 -1.325 1.00 0.94 O ATOM 451 CB VAL A 33 3.091 -6.439 1.326 1.00 1.21 C ATOM 452 CG1 VAL A 33 3.344 -4.931 1.238 1.00 1.87 C ATOM 453 CG2 VAL A 33 1.927 -6.801 0.399 1.00 1.41 C ATOM 0 H VAL A 33 5.016 -6.444 2.884 1.00 1.61 H new ATOM 0 HA VAL A 33 4.103 -8.336 1.035 1.00 1.30 H new ATOM 0 HB VAL A 33 2.813 -6.691 2.349 1.00 1.21 H new ATOM 0 HG11 VAL A 33 2.416 -4.394 1.435 1.00 1.87 H new ATOM 0 HG12 VAL A 33 4.093 -4.644 1.977 1.00 1.87 H new ATOM 0 HG13 VAL A 33 3.704 -4.680 0.240 1.00 1.87 H new ATOM 0 HG21 VAL A 33 1.065 -6.177 0.637 1.00 1.41 H new ATOM 0 HG22 VAL A 33 2.221 -6.634 -0.637 1.00 1.41 H new ATOM 0 HG23 VAL A 33 1.665 -7.850 0.537 1.00 1.41 H new ATOM 463 N THR A 34 6.072 -6.341 -0.482 1.00 0.79 N ATOM 464 CA THR A 34 6.870 -6.271 -1.726 1.00 0.72 C ATOM 465 C THR A 34 7.222 -7.654 -2.313 1.00 0.71 C ATOM 466 O THR A 34 7.228 -7.814 -3.531 1.00 1.18 O ATOM 467 CB THR A 34 8.126 -5.401 -1.511 1.00 1.15 C ATOM 468 OG1 THR A 34 8.936 -5.389 -2.659 1.00 2.40 O ATOM 469 CG2 THR A 34 9.016 -5.871 -0.363 1.00 1.85 C ATOM 0 H THR A 34 6.471 -5.796 0.282 1.00 0.79 H new ATOM 0 HA THR A 34 6.240 -5.795 -2.477 1.00 0.72 H new ATOM 0 HB THR A 34 7.730 -4.413 -1.277 1.00 1.15 H new ATOM 0 HG1 THR A 34 9.724 -4.830 -2.497 1.00 2.40 H new ATOM 0 HG21 THR A 34 9.877 -5.209 -0.276 1.00 1.85 H new ATOM 0 HG22 THR A 34 8.449 -5.853 0.568 1.00 1.85 H new ATOM 0 HG23 THR A 34 9.358 -6.887 -0.560 1.00 1.85 H new ATOM 477 N ARG A 35 7.402 -8.694 -1.479 1.00 0.74 N ATOM 478 CA ARG A 35 7.681 -10.083 -1.909 1.00 0.99 C ATOM 479 C ARG A 35 6.432 -10.948 -2.154 1.00 1.21 C ATOM 480 O ARG A 35 6.563 -12.125 -2.493 1.00 1.80 O ATOM 481 CB ARG A 35 8.681 -10.734 -0.931 1.00 1.17 C ATOM 482 CG ARG A 35 8.037 -11.373 0.314 1.00 1.87 C ATOM 483 CD ARG A 35 9.047 -11.592 1.447 1.00 3.02 C ATOM 484 NE ARG A 35 10.102 -12.550 1.079 1.00 3.09 N ATOM 485 CZ ARG A 35 10.023 -13.890 1.190 1.00 4.11 C ATOM 486 NH1 ARG A 35 8.929 -14.496 1.677 1.00 5.41 N ATOM 487 NH2 ARG A 35 11.065 -14.637 0.801 1.00 4.71 N ATOM 0 H ARG A 35 7.357 -8.594 -0.465 1.00 0.74 H new ATOM 0 HA ARG A 35 8.136 -10.024 -2.898 1.00 0.99 H new ATOM 0 HB2 ARG A 35 9.246 -11.499 -1.465 1.00 1.17 H new ATOM 0 HB3 ARG A 35 9.396 -9.978 -0.606 1.00 1.17 H new ATOM 0 HG2 ARG A 35 7.229 -10.734 0.670 1.00 1.87 H new ATOM 0 HG3 ARG A 35 7.591 -12.329 0.039 1.00 1.87 H new ATOM 0 HD2 ARG A 35 9.503 -10.638 1.714 1.00 3.02 H new ATOM 0 HD3 ARG A 35 8.524 -11.954 2.332 1.00 3.02 H new ATOM 0 HE ARG A 35 10.970 -12.165 0.707 1.00 3.09 H new ATOM 0 HH11 ARG A 35 8.128 -13.940 1.975 1.00 5.41 H new ATOM 0 HH12 ARG A 35 8.899 -15.513 1.749 1.00 5.41 H new ATOM 0 HH21 ARG A 35 11.902 -14.190 0.427 1.00 4.71 H new ATOM 0 HH22 ARG A 35 11.021 -15.653 0.878 1.00 4.71 H new ATOM 501 N GLN A 36 5.233 -10.384 -1.957 1.00 1.01 N ATOM 502 CA GLN A 36 3.928 -11.036 -2.165 1.00 1.28 C ATOM 503 C GLN A 36 3.231 -10.604 -3.468 1.00 1.14 C ATOM 504 O GLN A 36 2.401 -11.348 -3.992 1.00 1.46 O ATOM 505 CB GLN A 36 2.996 -10.711 -0.979 1.00 1.60 C ATOM 506 CG GLN A 36 3.364 -11.389 0.351 1.00 2.32 C ATOM 507 CD GLN A 36 3.250 -12.908 0.278 1.00 2.64 C ATOM 508 OE1 GLN A 36 4.209 -13.642 0.493 1.00 3.43 O ATOM 509 NE2 GLN A 36 2.094 -13.440 -0.041 1.00 3.42 N ATOM 0 H GLN A 36 5.139 -9.421 -1.635 1.00 1.01 H new ATOM 0 HA GLN A 36 4.124 -12.106 -2.238 1.00 1.28 H new ATOM 0 HB2 GLN A 36 2.990 -9.632 -0.828 1.00 1.60 H new ATOM 0 HB3 GLN A 36 1.980 -11.001 -1.247 1.00 1.60 H new ATOM 0 HG2 GLN A 36 4.383 -11.116 0.625 1.00 2.32 H new ATOM 0 HG3 GLN A 36 2.711 -11.015 1.140 1.00 2.32 H new ATOM 0 HE21 GLN A 36 1.289 -12.840 -0.222 1.00 3.42 H new ATOM 0 HE22 GLN A 36 2.000 -14.453 -0.108 1.00 3.42 H new ATOM 518 N ARG A 37 3.544 -9.411 -3.987 1.00 0.90 N ATOM 519 CA ARG A 37 2.845 -8.746 -5.101 1.00 1.01 C ATOM 520 C ARG A 37 3.846 -8.292 -6.171 1.00 1.06 C ATOM 521 O ARG A 37 5.037 -8.175 -5.884 1.00 1.67 O ATOM 522 CB ARG A 37 2.076 -7.550 -4.493 1.00 1.20 C ATOM 523 CG ARG A 37 0.993 -6.903 -5.378 1.00 2.13 C ATOM 524 CD ARG A 37 -0.170 -7.841 -5.738 1.00 1.93 C ATOM 525 NE ARG A 37 -0.905 -8.278 -4.538 1.00 1.68 N ATOM 526 CZ ARG A 37 -1.133 -9.549 -4.154 1.00 1.77 C ATOM 527 NH1 ARG A 37 -0.733 -10.599 -4.886 1.00 2.34 N ATOM 528 NH2 ARG A 37 -1.781 -9.769 -3.002 1.00 1.83 N ATOM 0 H ARG A 37 4.323 -8.857 -3.630 1.00 0.90 H new ATOM 0 HA ARG A 37 2.153 -9.426 -5.598 1.00 1.01 H new ATOM 0 HB2 ARG A 37 1.606 -7.883 -3.568 1.00 1.20 H new ATOM 0 HB3 ARG A 37 2.800 -6.781 -4.224 1.00 1.20 H new ATOM 0 HG2 ARG A 37 0.594 -6.029 -4.864 1.00 2.13 H new ATOM 0 HG3 ARG A 37 1.456 -6.547 -6.298 1.00 2.13 H new ATOM 0 HD2 ARG A 37 -0.852 -7.331 -6.418 1.00 1.93 H new ATOM 0 HD3 ARG A 37 0.215 -8.713 -6.267 1.00 1.93 H new ATOM 0 HE ARG A 37 -1.279 -7.544 -3.937 1.00 1.68 H new ATOM 0 HH11 ARG A 37 -0.238 -10.449 -5.765 1.00 2.34 H new ATOM 0 HH12 ARG A 37 -0.923 -11.548 -4.563 1.00 2.34 H new ATOM 0 HH21 ARG A 37 -2.092 -8.981 -2.433 1.00 1.83 H new ATOM 0 HH22 ARG A 37 -1.963 -10.724 -2.694 1.00 1.83 H new ATOM 542 N ASP A 38 3.367 -7.978 -7.376 1.00 0.95 N ATOM 543 CA ASP A 38 4.137 -7.211 -8.368 1.00 0.95 C ATOM 544 C ASP A 38 4.559 -5.868 -7.755 1.00 1.00 C ATOM 545 O ASP A 38 3.725 -5.010 -7.459 1.00 1.19 O ATOM 546 CB ASP A 38 3.287 -7.010 -9.637 1.00 1.04 C ATOM 547 CG ASP A 38 4.031 -6.312 -10.778 1.00 2.09 C ATOM 548 OD1 ASP A 38 4.612 -5.217 -10.584 1.00 3.41 O ATOM 549 OD2 ASP A 38 4.053 -6.858 -11.903 1.00 2.60 O ATOM 0 H ASP A 38 2.436 -8.246 -7.695 1.00 0.95 H new ATOM 0 HA ASP A 38 5.038 -7.756 -8.649 1.00 0.95 H new ATOM 0 HB2 ASP A 38 2.937 -7.982 -9.986 1.00 1.04 H new ATOM 0 HB3 ASP A 38 2.403 -6.426 -9.382 1.00 1.04 H new ATOM 554 N ALA A 39 5.863 -5.690 -7.546 1.00 1.08 N ATOM 555 CA ALA A 39 6.425 -4.571 -6.798 1.00 1.19 C ATOM 556 C ALA A 39 6.298 -3.213 -7.521 1.00 1.04 C ATOM 557 O ALA A 39 6.460 -2.162 -6.900 1.00 1.18 O ATOM 558 CB ALA A 39 7.882 -4.925 -6.496 1.00 1.53 C ATOM 0 H ALA A 39 6.571 -6.334 -7.900 1.00 1.08 H new ATOM 0 HA ALA A 39 5.856 -4.432 -5.879 1.00 1.19 H new ATOM 0 HB1 ALA A 39 8.345 -4.113 -5.935 1.00 1.53 H new ATOM 0 HB2 ALA A 39 7.919 -5.841 -5.906 1.00 1.53 H new ATOM 0 HB3 ALA A 39 8.422 -5.074 -7.431 1.00 1.53 H new ATOM 564 N ASN A 40 5.987 -3.217 -8.819 1.00 0.95 N ATOM 565 CA ASN A 40 5.796 -2.016 -9.631 1.00 0.88 C ATOM 566 C ASN A 40 4.303 -1.635 -9.699 1.00 0.69 C ATOM 567 O ASN A 40 3.977 -0.445 -9.650 1.00 0.78 O ATOM 568 CB ASN A 40 6.426 -2.249 -11.018 1.00 1.19 C ATOM 569 CG ASN A 40 7.914 -2.578 -10.974 1.00 2.59 C ATOM 570 OD1 ASN A 40 8.327 -3.662 -10.574 1.00 4.25 O ATOM 571 ND2 ASN A 40 8.765 -1.686 -11.402 1.00 2.77 N ATOM 0 H ASN A 40 5.858 -4.080 -9.347 1.00 0.95 H new ATOM 0 HA ASN A 40 6.299 -1.164 -9.174 1.00 0.88 H new ATOM 0 HB2 ASN A 40 5.898 -3.064 -11.513 1.00 1.19 H new ATOM 0 HB3 ASN A 40 6.279 -1.357 -11.627 1.00 1.19 H new ATOM 0 HD21 ASN A 40 9.764 -1.893 -11.402 1.00 2.77 H new ATOM 0 HD22 ASN A 40 8.431 -0.782 -11.736 1.00 2.77 H new ATOM 578 N TRP A 41 3.397 -2.624 -9.716 1.00 0.60 N ATOM 579 CA TRP A 41 1.959 -2.416 -9.474 1.00 0.51 C ATOM 580 C TRP A 41 1.698 -1.932 -8.045 1.00 0.48 C ATOM 581 O TRP A 41 0.932 -0.995 -7.848 1.00 0.47 O ATOM 582 CB TRP A 41 1.181 -3.717 -9.733 1.00 0.52 C ATOM 583 CG TRP A 41 -0.315 -3.625 -9.584 1.00 0.55 C ATOM 584 CD1 TRP A 41 -1.204 -3.346 -10.565 1.00 0.61 C ATOM 585 CD2 TRP A 41 -1.123 -3.837 -8.381 1.00 0.66 C ATOM 586 NE1 TRP A 41 -2.497 -3.383 -10.070 1.00 0.72 N ATOM 587 CE2 TRP A 41 -2.500 -3.675 -8.723 1.00 0.74 C ATOM 588 CE3 TRP A 41 -0.831 -4.166 -7.038 1.00 0.76 C ATOM 589 CZ2 TRP A 41 -3.527 -3.832 -7.782 1.00 0.91 C ATOM 590 CZ3 TRP A 41 -1.856 -4.303 -6.080 1.00 0.92 C ATOM 591 CH2 TRP A 41 -3.202 -4.134 -6.450 1.00 1.00 C ATOM 0 H TRP A 41 3.642 -3.597 -9.899 1.00 0.60 H new ATOM 0 HA TRP A 41 1.615 -1.645 -10.164 1.00 0.51 H new ATOM 0 HB2 TRP A 41 1.407 -4.058 -10.743 1.00 0.52 H new ATOM 0 HB3 TRP A 41 1.549 -4.481 -9.049 1.00 0.52 H new ATOM 0 HD1 TRP A 41 -0.942 -3.126 -11.589 1.00 0.61 H new ATOM 0 HE1 TRP A 41 -3.335 -3.216 -10.628 1.00 0.72 H new ATOM 0 HE3 TRP A 41 0.196 -4.315 -6.740 1.00 0.76 H new ATOM 0 HZ2 TRP A 41 -4.559 -3.722 -8.079 1.00 0.91 H new ATOM 0 HZ3 TRP A 41 -1.606 -4.539 -5.056 1.00 0.92 H new ATOM 0 HH2 TRP A 41 -3.984 -4.236 -5.712 1.00 1.00 H new ATOM 602 N LEU A 42 2.370 -2.522 -7.049 1.00 0.52 N ATOM 603 CA LEU A 42 2.179 -2.260 -5.617 1.00 0.55 C ATOM 604 C LEU A 42 2.284 -0.770 -5.250 1.00 0.57 C ATOM 605 O LEU A 42 1.453 -0.263 -4.495 1.00 0.64 O ATOM 606 CB LEU A 42 3.229 -3.105 -4.868 1.00 0.65 C ATOM 607 CG LEU A 42 3.259 -2.947 -3.340 1.00 1.01 C ATOM 608 CD1 LEU A 42 1.956 -3.409 -2.688 1.00 1.62 C ATOM 609 CD2 LEU A 42 4.398 -3.787 -2.765 1.00 1.84 C ATOM 0 H LEU A 42 3.090 -3.223 -7.225 1.00 0.52 H new ATOM 0 HA LEU A 42 1.166 -2.539 -5.328 1.00 0.55 H new ATOM 0 HB2 LEU A 42 3.054 -4.155 -5.101 1.00 0.65 H new ATOM 0 HB3 LEU A 42 4.215 -2.852 -5.258 1.00 0.65 H new ATOM 0 HG LEU A 42 3.399 -1.887 -3.127 1.00 1.01 H new ATOM 0 HD11 LEU A 42 2.023 -3.279 -1.608 1.00 1.62 H new ATOM 0 HD12 LEU A 42 1.126 -2.817 -3.074 1.00 1.62 H new ATOM 0 HD13 LEU A 42 1.788 -4.461 -2.917 1.00 1.62 H new ATOM 0 HD21 LEU A 42 4.421 -3.676 -1.681 1.00 1.84 H new ATOM 0 HD22 LEU A 42 4.241 -4.835 -3.019 1.00 1.84 H new ATOM 0 HD23 LEU A 42 5.346 -3.450 -3.184 1.00 1.84 H new ATOM 621 N VAL A 43 3.283 -0.070 -5.794 1.00 0.60 N ATOM 622 CA VAL A 43 3.499 1.370 -5.563 1.00 0.71 C ATOM 623 C VAL A 43 2.449 2.216 -6.300 1.00 0.73 C ATOM 624 O VAL A 43 1.894 3.132 -5.695 1.00 0.98 O ATOM 625 CB VAL A 43 4.945 1.773 -5.913 1.00 0.83 C ATOM 626 CG1 VAL A 43 5.203 3.236 -5.540 1.00 1.26 C ATOM 627 CG2 VAL A 43 5.946 0.921 -5.116 1.00 1.10 C ATOM 0 H VAL A 43 3.976 -0.488 -6.415 1.00 0.60 H new ATOM 0 HA VAL A 43 3.366 1.573 -4.500 1.00 0.71 H new ATOM 0 HB VAL A 43 5.073 1.622 -6.985 1.00 0.83 H new ATOM 0 HG11 VAL A 43 6.229 3.501 -5.795 1.00 1.26 H new ATOM 0 HG12 VAL A 43 4.515 3.878 -6.090 1.00 1.26 H new ATOM 0 HG13 VAL A 43 5.049 3.371 -4.469 1.00 1.26 H new ATOM 0 HG21 VAL A 43 6.963 1.217 -5.374 1.00 1.10 H new ATOM 0 HG22 VAL A 43 5.784 1.072 -4.049 1.00 1.10 H new ATOM 0 HG23 VAL A 43 5.802 -0.132 -5.359 1.00 1.10 H new ATOM 637 N ARG A 44 2.080 1.870 -7.545 1.00 0.57 N ATOM 638 CA ARG A 44 0.972 2.527 -8.277 1.00 0.59 C ATOM 639 C ARG A 44 -0.361 2.385 -7.529 1.00 0.61 C ATOM 640 O ARG A 44 -1.053 3.376 -7.305 1.00 0.76 O ATOM 641 CB ARG A 44 0.887 1.996 -9.719 1.00 0.60 C ATOM 642 CG ARG A 44 2.013 2.583 -10.587 1.00 1.74 C ATOM 643 CD ARG A 44 1.924 2.148 -12.055 1.00 2.10 C ATOM 644 NE ARG A 44 2.460 0.796 -12.277 1.00 3.88 N ATOM 645 CZ ARG A 44 1.753 -0.321 -12.531 1.00 5.04 C ATOM 646 NH1 ARG A 44 0.410 -0.332 -12.525 1.00 5.00 N ATOM 647 NH2 ARG A 44 2.414 -1.457 -12.798 1.00 7.03 N ATOM 0 H ARG A 44 2.538 1.129 -8.076 1.00 0.57 H new ATOM 0 HA ARG A 44 1.185 3.595 -8.331 1.00 0.59 H new ATOM 0 HB2 ARG A 44 0.955 0.908 -9.715 1.00 0.60 H new ATOM 0 HB3 ARG A 44 -0.081 2.253 -10.149 1.00 0.60 H new ATOM 0 HG2 ARG A 44 1.977 3.671 -10.533 1.00 1.74 H new ATOM 0 HG3 ARG A 44 2.976 2.276 -10.180 1.00 1.74 H new ATOM 0 HD2 ARG A 44 0.883 2.180 -12.377 1.00 2.10 H new ATOM 0 HD3 ARG A 44 2.471 2.858 -12.675 1.00 2.10 H new ATOM 0 HE ARG A 44 3.474 0.694 -12.234 1.00 3.88 H new ATOM 0 HH11 ARG A 44 -0.106 0.524 -12.324 1.00 5.00 H new ATOM 0 HH12 ARG A 44 -0.094 -1.197 -12.722 1.00 5.00 H new ATOM 0 HH21 ARG A 44 3.434 -1.464 -12.806 1.00 7.03 H new ATOM 0 HH22 ARG A 44 1.897 -2.314 -12.993 1.00 7.03 H new ATOM 661 N TRP A 45 -0.671 1.174 -7.064 1.00 0.54 N ATOM 662 CA TRP A 45 -1.825 0.849 -6.222 1.00 0.61 C ATOM 663 C TRP A 45 -1.891 1.717 -4.962 1.00 0.69 C ATOM 664 O TRP A 45 -2.925 2.324 -4.702 1.00 0.86 O ATOM 665 CB TRP A 45 -1.776 -0.647 -5.863 1.00 0.60 C ATOM 666 CG TRP A 45 -2.468 -1.044 -4.594 1.00 0.76 C ATOM 667 CD1 TRP A 45 -1.859 -1.218 -3.397 1.00 0.97 C ATOM 668 CD2 TRP A 45 -3.896 -1.242 -4.350 1.00 1.06 C ATOM 669 NE1 TRP A 45 -2.800 -1.550 -2.443 1.00 1.25 N ATOM 670 CE2 TRP A 45 -4.076 -1.555 -2.969 1.00 1.29 C ATOM 671 CE3 TRP A 45 -5.057 -1.157 -5.146 1.00 1.36 C ATOM 672 CZ2 TRP A 45 -5.343 -1.771 -2.405 1.00 1.64 C ATOM 673 CZ3 TRP A 45 -6.335 -1.362 -4.592 1.00 1.74 C ATOM 674 CH2 TRP A 45 -6.481 -1.669 -3.224 1.00 1.83 C ATOM 0 H TRP A 45 -0.099 0.356 -7.273 1.00 0.54 H new ATOM 0 HA TRP A 45 -2.733 1.063 -6.785 1.00 0.61 H new ATOM 0 HB2 TRP A 45 -2.216 -1.212 -6.685 1.00 0.60 H new ATOM 0 HB3 TRP A 45 -0.731 -0.949 -5.793 1.00 0.60 H new ATOM 0 HD1 TRP A 45 -0.799 -1.113 -3.216 1.00 0.97 H new ATOM 0 HE1 TRP A 45 -2.580 -1.765 -1.471 1.00 1.25 H new ATOM 0 HE3 TRP A 45 -4.964 -0.931 -6.198 1.00 1.36 H new ATOM 0 HZ2 TRP A 45 -5.442 -2.012 -1.357 1.00 1.64 H new ATOM 0 HZ3 TRP A 45 -7.210 -1.283 -5.220 1.00 1.74 H new ATOM 0 HH2 TRP A 45 -7.465 -1.825 -2.806 1.00 1.83 H new ATOM 685 N LEU A 46 -0.805 1.805 -4.186 1.00 0.67 N ATOM 686 CA LEU A 46 -0.820 2.530 -2.910 1.00 0.84 C ATOM 687 C LEU A 46 -0.690 4.057 -3.053 1.00 0.86 C ATOM 688 O LEU A 46 -1.018 4.777 -2.110 1.00 1.04 O ATOM 689 CB LEU A 46 0.149 1.857 -1.920 1.00 1.06 C ATOM 690 CG LEU A 46 1.647 2.078 -2.169 1.00 1.37 C ATOM 691 CD1 LEU A 46 2.163 3.377 -1.559 1.00 2.12 C ATOM 692 CD2 LEU A 46 2.449 0.926 -1.549 1.00 2.22 C ATOM 0 H LEU A 46 0.094 1.384 -4.419 1.00 0.67 H new ATOM 0 HA LEU A 46 -1.814 2.446 -2.471 1.00 0.84 H new ATOM 0 HB2 LEU A 46 -0.086 2.214 -0.917 1.00 1.06 H new ATOM 0 HB3 LEU A 46 -0.044 0.784 -1.930 1.00 1.06 H new ATOM 0 HG LEU A 46 1.776 2.126 -3.250 1.00 1.37 H new ATOM 0 HD11 LEU A 46 3.228 3.479 -1.767 1.00 2.12 H new ATOM 0 HD12 LEU A 46 1.626 4.221 -1.992 1.00 2.12 H new ATOM 0 HD13 LEU A 46 2.004 3.361 -0.481 1.00 2.12 H new ATOM 0 HD21 LEU A 46 3.512 1.086 -1.727 1.00 2.22 H new ATOM 0 HD22 LEU A 46 2.263 0.889 -0.476 1.00 2.22 H new ATOM 0 HD23 LEU A 46 2.142 -0.016 -2.003 1.00 2.22 H new ATOM 704 N LYS A 47 -0.243 4.557 -4.216 1.00 0.75 N ATOM 705 CA LYS A 47 -0.256 5.986 -4.573 1.00 0.83 C ATOM 706 C LYS A 47 -1.644 6.484 -4.978 1.00 0.84 C ATOM 707 O LYS A 47 -2.028 7.576 -4.563 1.00 1.09 O ATOM 708 CB LYS A 47 0.753 6.259 -5.709 1.00 0.85 C ATOM 709 CG LYS A 47 2.185 6.399 -5.173 1.00 1.73 C ATOM 710 CD LYS A 47 3.221 6.682 -6.273 1.00 1.68 C ATOM 711 CE LYS A 47 3.036 8.069 -6.905 1.00 1.94 C ATOM 712 NZ LYS A 47 4.115 8.373 -7.872 1.00 2.29 N ATOM 0 H LYS A 47 0.146 3.967 -4.951 1.00 0.75 H new ATOM 0 HA LYS A 47 0.033 6.538 -3.678 1.00 0.83 H new ATOM 0 HB2 LYS A 47 0.713 5.446 -6.434 1.00 0.85 H new ATOM 0 HB3 LYS A 47 0.471 7.170 -6.236 1.00 0.85 H new ATOM 0 HG2 LYS A 47 2.214 7.205 -4.440 1.00 1.73 H new ATOM 0 HG3 LYS A 47 2.461 5.483 -4.650 1.00 1.73 H new ATOM 0 HD2 LYS A 47 4.224 6.608 -5.852 1.00 1.68 H new ATOM 0 HD3 LYS A 47 3.143 5.919 -7.047 1.00 1.68 H new ATOM 0 HE2 LYS A 47 2.071 8.114 -7.409 1.00 1.94 H new ATOM 0 HE3 LYS A 47 3.023 8.828 -6.123 1.00 1.94 H new ATOM 0 HZ1 LYS A 47 3.960 9.317 -8.280 1.00 2.29 H new ATOM 0 HZ2 LYS A 47 5.034 8.354 -7.385 1.00 2.29 H new ATOM 0 HZ3 LYS A 47 4.111 7.662 -8.631 1.00 2.29 H new ATOM 726 N VAL A 48 -2.372 5.726 -5.804 1.00 0.63 N ATOM 727 CA VAL A 48 -3.627 6.177 -6.446 1.00 0.61 C ATOM 728 C VAL A 48 -4.701 5.066 -6.524 1.00 0.54 C ATOM 729 O VAL A 48 -5.167 4.716 -7.614 1.00 0.58 O ATOM 730 CB VAL A 48 -3.333 6.836 -7.818 1.00 0.66 C ATOM 731 CG1 VAL A 48 -2.606 8.178 -7.674 1.00 2.35 C ATOM 732 CG2 VAL A 48 -2.512 5.969 -8.786 1.00 2.50 C ATOM 0 H VAL A 48 -2.111 4.772 -6.053 1.00 0.63 H new ATOM 0 HA VAL A 48 -4.066 6.941 -5.805 1.00 0.61 H new ATOM 0 HB VAL A 48 -4.327 6.974 -8.242 1.00 0.66 H new ATOM 0 HG11 VAL A 48 -2.422 8.600 -8.662 1.00 2.35 H new ATOM 0 HG12 VAL A 48 -3.222 8.865 -7.094 1.00 2.35 H new ATOM 0 HG13 VAL A 48 -1.656 8.024 -7.163 1.00 2.35 H new ATOM 0 HG21 VAL A 48 -2.356 6.512 -9.718 1.00 2.50 H new ATOM 0 HG22 VAL A 48 -1.547 5.736 -8.336 1.00 2.50 H new ATOM 0 HG23 VAL A 48 -3.050 5.043 -8.991 1.00 2.50 H new ATOM 742 N PRO A 49 -5.136 4.483 -5.385 1.00 0.53 N ATOM 743 CA PRO A 49 -6.056 3.337 -5.375 1.00 0.53 C ATOM 744 C PRO A 49 -7.440 3.682 -5.949 1.00 0.57 C ATOM 745 O PRO A 49 -8.049 2.876 -6.657 1.00 0.82 O ATOM 746 CB PRO A 49 -6.147 2.899 -3.908 1.00 0.62 C ATOM 747 CG PRO A 49 -5.827 4.175 -3.129 1.00 0.72 C ATOM 748 CD PRO A 49 -4.807 4.882 -4.022 1.00 0.61 C ATOM 0 HA PRO A 49 -5.685 2.538 -6.016 1.00 0.53 H new ATOM 0 HB2 PRO A 49 -7.139 2.519 -3.664 1.00 0.62 H new ATOM 0 HB3 PRO A 49 -5.437 2.103 -3.683 1.00 0.62 H new ATOM 0 HG2 PRO A 49 -6.717 4.785 -2.972 1.00 0.72 H new ATOM 0 HG3 PRO A 49 -5.415 3.953 -2.144 1.00 0.72 H new ATOM 0 HD2 PRO A 49 -4.867 5.964 -3.905 1.00 0.61 H new ATOM 0 HD3 PRO A 49 -3.790 4.589 -3.763 1.00 0.61 H new ATOM 756 N ASP A 50 -7.916 4.908 -5.721 1.00 0.55 N ATOM 757 CA ASP A 50 -9.182 5.402 -6.267 1.00 0.66 C ATOM 758 C ASP A 50 -9.120 5.561 -7.799 1.00 0.68 C ATOM 759 O ASP A 50 -10.071 5.200 -8.495 1.00 0.80 O ATOM 760 CB ASP A 50 -9.519 6.716 -5.551 1.00 0.88 C ATOM 761 CG ASP A 50 -10.845 7.317 -6.019 1.00 1.28 C ATOM 762 OD1 ASP A 50 -11.908 6.715 -5.736 1.00 1.94 O ATOM 763 OD2 ASP A 50 -10.832 8.399 -6.651 1.00 2.35 O ATOM 0 H ASP A 50 -7.427 5.594 -5.145 1.00 0.55 H new ATOM 0 HA ASP A 50 -9.978 4.679 -6.088 1.00 0.66 H new ATOM 0 HB2 ASP A 50 -9.564 6.539 -4.476 1.00 0.88 H new ATOM 0 HB3 ASP A 50 -8.718 7.435 -5.723 1.00 0.88 H new ATOM 768 N GLN A 51 -7.983 6.012 -8.339 1.00 0.67 N ATOM 769 CA GLN A 51 -7.737 6.087 -9.784 1.00 0.77 C ATOM 770 C GLN A 51 -7.614 4.693 -10.424 1.00 0.65 C ATOM 771 O GLN A 51 -8.023 4.513 -11.572 1.00 0.76 O ATOM 772 CB GLN A 51 -6.458 6.901 -10.015 1.00 1.00 C ATOM 773 CG GLN A 51 -6.281 7.420 -11.442 1.00 1.47 C ATOM 774 CD GLN A 51 -5.053 8.321 -11.530 1.00 2.23 C ATOM 775 OE1 GLN A 51 -5.079 9.489 -11.155 1.00 2.45 O ATOM 776 NE2 GLN A 51 -3.926 7.803 -11.961 1.00 3.42 N ATOM 0 H GLN A 51 -7.197 6.340 -7.778 1.00 0.67 H new ATOM 0 HA GLN A 51 -8.588 6.573 -10.261 1.00 0.77 H new ATOM 0 HB2 GLN A 51 -6.455 7.750 -9.331 1.00 1.00 H new ATOM 0 HB3 GLN A 51 -5.598 6.282 -9.759 1.00 1.00 H new ATOM 0 HG2 GLN A 51 -6.175 6.582 -12.130 1.00 1.47 H new ATOM 0 HG3 GLN A 51 -7.169 7.973 -11.748 1.00 1.47 H new ATOM 0 HE21 GLN A 51 -3.898 6.833 -12.274 1.00 3.42 H new ATOM 0 HE22 GLN A 51 -3.079 8.371 -11.983 1.00 3.42 H new ATOM 785 N MET A 52 -7.088 3.708 -9.684 1.00 0.55 N ATOM 786 CA MET A 52 -6.955 2.307 -10.110 1.00 0.56 C ATOM 787 C MET A 52 -8.324 1.621 -10.264 1.00 0.53 C ATOM 788 O MET A 52 -8.594 0.998 -11.292 1.00 0.60 O ATOM 789 CB MET A 52 -6.067 1.563 -9.092 1.00 0.65 C ATOM 790 CG MET A 52 -5.630 0.178 -9.575 1.00 1.73 C ATOM 791 SD MET A 52 -4.276 0.179 -10.782 1.00 1.72 S ATOM 792 CE MET A 52 -2.864 0.306 -9.652 1.00 1.04 C ATOM 0 H MET A 52 -6.732 3.869 -8.742 1.00 0.55 H new ATOM 0 HA MET A 52 -6.487 2.278 -11.094 1.00 0.56 H new ATOM 0 HB2 MET A 52 -5.182 2.164 -8.883 1.00 0.65 H new ATOM 0 HB3 MET A 52 -6.610 1.459 -8.153 1.00 0.65 H new ATOM 0 HG2 MET A 52 -5.326 -0.412 -8.711 1.00 1.73 H new ATOM 0 HG3 MET A 52 -6.490 -0.324 -10.017 1.00 1.73 H new ATOM 0 HE1 MET A 52 -1.936 0.266 -10.223 1.00 1.04 H new ATOM 0 HE2 MET A 52 -2.916 1.250 -9.109 1.00 1.04 H new ATOM 0 HE3 MET A 52 -2.890 -0.522 -8.943 1.00 1.04 H new ATOM 802 N LEU A 53 -9.221 1.785 -9.280 1.00 0.53 N ATOM 803 CA LEU A 53 -10.598 1.268 -9.351 1.00 0.61 C ATOM 804 C LEU A 53 -11.467 2.035 -10.367 1.00 0.66 C ATOM 805 O LEU A 53 -12.380 1.450 -10.951 1.00 0.77 O ATOM 806 CB LEU A 53 -11.231 1.265 -7.945 1.00 0.69 C ATOM 807 CG LEU A 53 -10.603 0.267 -6.947 1.00 1.05 C ATOM 808 CD1 LEU A 53 -11.219 0.465 -5.561 1.00 1.93 C ATOM 809 CD2 LEU A 53 -10.813 -1.198 -7.341 1.00 1.90 C ATOM 0 H LEU A 53 -9.013 2.280 -8.412 1.00 0.53 H new ATOM 0 HA LEU A 53 -10.550 0.242 -9.716 1.00 0.61 H new ATOM 0 HB2 LEU A 53 -11.156 2.269 -7.527 1.00 0.69 H new ATOM 0 HB3 LEU A 53 -12.293 1.039 -8.042 1.00 0.69 H new ATOM 0 HG LEU A 53 -9.532 0.472 -6.950 1.00 1.05 H new ATOM 0 HD11 LEU A 53 -10.773 -0.241 -4.860 1.00 1.93 H new ATOM 0 HD12 LEU A 53 -11.029 1.483 -5.221 1.00 1.93 H new ATOM 0 HD13 LEU A 53 -12.294 0.294 -5.613 1.00 1.93 H new ATOM 0 HD21 LEU A 53 -10.347 -1.845 -6.598 1.00 1.90 H new ATOM 0 HD22 LEU A 53 -11.881 -1.412 -7.390 1.00 1.90 H new ATOM 0 HD23 LEU A 53 -10.361 -1.381 -8.316 1.00 1.90 H new ATOM 821 N ALA A 54 -11.168 3.312 -10.637 1.00 0.67 N ATOM 822 CA ALA A 54 -11.807 4.084 -11.709 1.00 0.81 C ATOM 823 C ALA A 54 -11.272 3.752 -13.122 1.00 0.86 C ATOM 824 O ALA A 54 -11.977 3.959 -14.108 1.00 1.12 O ATOM 825 CB ALA A 54 -11.671 5.575 -11.386 1.00 0.89 C ATOM 0 H ALA A 54 -10.471 3.842 -10.114 1.00 0.67 H new ATOM 0 HA ALA A 54 -12.859 3.802 -11.743 1.00 0.81 H new ATOM 0 HB1 ALA A 54 -12.142 6.162 -12.174 1.00 0.89 H new ATOM 0 HB2 ALA A 54 -12.159 5.787 -10.435 1.00 0.89 H new ATOM 0 HB3 ALA A 54 -10.615 5.838 -11.319 1.00 0.89 H new ATOM 831 N GLU A 55 -10.045 3.237 -13.253 1.00 0.76 N ATOM 832 CA GLU A 55 -9.496 2.680 -14.508 1.00 0.84 C ATOM 833 C GLU A 55 -9.986 1.238 -14.756 1.00 0.87 C ATOM 834 O GLU A 55 -9.918 0.744 -15.885 1.00 1.07 O ATOM 835 CB GLU A 55 -7.956 2.779 -14.451 1.00 0.91 C ATOM 836 CG GLU A 55 -7.153 2.090 -15.575 1.00 1.51 C ATOM 837 CD GLU A 55 -7.341 2.655 -16.994 1.00 2.83 C ATOM 838 OE1 GLU A 55 -7.993 3.712 -17.199 1.00 3.92 O ATOM 839 OE2 GLU A 55 -6.802 2.032 -17.943 1.00 3.64 O ATOM 0 H GLU A 55 -9.386 3.192 -12.476 1.00 0.76 H new ATOM 0 HA GLU A 55 -9.858 3.259 -15.358 1.00 0.84 H new ATOM 0 HB2 GLU A 55 -7.687 3.835 -14.445 1.00 0.91 H new ATOM 0 HB3 GLU A 55 -7.628 2.361 -13.499 1.00 0.91 H new ATOM 0 HG2 GLU A 55 -6.094 2.146 -15.322 1.00 1.51 H new ATOM 0 HG3 GLU A 55 -7.422 1.034 -15.589 1.00 1.51 H new ATOM 846 N LYS A 56 -10.494 0.571 -13.711 1.00 0.90 N ATOM 847 CA LYS A 56 -10.873 -0.850 -13.685 1.00 0.97 C ATOM 848 C LYS A 56 -9.724 -1.766 -14.138 1.00 1.00 C ATOM 849 O LYS A 56 -9.881 -2.610 -15.024 1.00 1.56 O ATOM 850 CB LYS A 56 -12.220 -1.093 -14.398 1.00 1.48 C ATOM 851 CG LYS A 56 -13.382 -0.249 -13.845 1.00 2.33 C ATOM 852 CD LYS A 56 -14.719 -0.663 -14.478 1.00 3.00 C ATOM 853 CE LYS A 56 -15.860 0.179 -13.891 1.00 4.22 C ATOM 854 NZ LYS A 56 -17.178 -0.180 -14.470 1.00 4.84 N ATOM 0 H LYS A 56 -10.660 1.030 -12.815 1.00 0.90 H new ATOM 0 HA LYS A 56 -11.050 -1.135 -12.648 1.00 0.97 H new ATOM 0 HB2 LYS A 56 -12.101 -0.878 -15.460 1.00 1.48 H new ATOM 0 HB3 LYS A 56 -12.479 -2.148 -14.314 1.00 1.48 H new ATOM 0 HG2 LYS A 56 -13.437 -0.366 -12.763 1.00 2.33 H new ATOM 0 HG3 LYS A 56 -13.194 0.806 -14.042 1.00 2.33 H new ATOM 0 HD2 LYS A 56 -14.676 -0.529 -15.559 1.00 3.00 H new ATOM 0 HD3 LYS A 56 -14.905 -1.721 -14.295 1.00 3.00 H new ATOM 0 HE2 LYS A 56 -15.891 0.042 -12.810 1.00 4.22 H new ATOM 0 HE3 LYS A 56 -15.661 1.235 -14.073 1.00 4.22 H new ATOM 0 HZ1 LYS A 56 -17.918 0.414 -14.044 1.00 4.84 H new ATOM 0 HZ2 LYS A 56 -17.159 -0.025 -15.498 1.00 4.84 H new ATOM 0 HZ3 LYS A 56 -17.382 -1.181 -14.274 1.00 4.84 H new ATOM 868 N ASP A 57 -8.569 -1.594 -13.488 1.00 0.80 N ATOM 869 CA ASP A 57 -7.438 -2.529 -13.484 1.00 0.91 C ATOM 870 C ASP A 57 -7.865 -3.713 -12.611 1.00 0.88 C ATOM 871 O ASP A 57 -8.017 -3.586 -11.392 1.00 0.81 O ATOM 872 CB ASP A 57 -6.170 -1.842 -12.951 1.00 1.01 C ATOM 873 CG ASP A 57 -4.900 -2.667 -13.210 1.00 1.35 C ATOM 874 OD1 ASP A 57 -4.297 -2.479 -14.299 1.00 2.34 O ATOM 875 OD2 ASP A 57 -4.504 -3.498 -12.359 1.00 1.82 O ATOM 0 H ASP A 57 -8.388 -0.763 -12.925 1.00 0.80 H new ATOM 0 HA ASP A 57 -7.191 -2.871 -14.489 1.00 0.91 H new ATOM 0 HB2 ASP A 57 -6.066 -0.864 -13.421 1.00 1.01 H new ATOM 0 HB3 ASP A 57 -6.276 -1.671 -11.880 1.00 1.01 H new ATOM 880 N PRO A 58 -8.191 -4.846 -13.237 1.00 1.10 N ATOM 881 CA PRO A 58 -9.090 -5.832 -12.640 1.00 1.30 C ATOM 882 C PRO A 58 -8.473 -6.588 -11.462 1.00 1.39 C ATOM 883 O PRO A 58 -9.190 -7.058 -10.584 1.00 2.13 O ATOM 884 CB PRO A 58 -9.438 -6.729 -13.814 1.00 1.58 C ATOM 885 CG PRO A 58 -8.190 -6.676 -14.693 1.00 1.56 C ATOM 886 CD PRO A 58 -7.853 -5.207 -14.605 1.00 1.26 C ATOM 0 HA PRO A 58 -9.967 -5.375 -12.182 1.00 1.30 H new ATOM 0 HB2 PRO A 58 -9.656 -7.746 -13.490 1.00 1.58 H new ATOM 0 HB3 PRO A 58 -10.318 -6.368 -14.346 1.00 1.58 H new ATOM 0 HG2 PRO A 58 -7.388 -7.309 -14.313 1.00 1.56 H new ATOM 0 HG3 PRO A 58 -8.390 -6.995 -15.716 1.00 1.56 H new ATOM 0 HD2 PRO A 58 -6.799 -5.027 -14.816 1.00 1.26 H new ATOM 0 HD3 PRO A 58 -8.427 -4.623 -15.325 1.00 1.26 H new ATOM 894 N LEU A 59 -7.142 -6.615 -11.395 1.00 0.92 N ATOM 895 CA LEU A 59 -6.384 -7.061 -10.222 1.00 0.82 C ATOM 896 C LEU A 59 -6.810 -6.310 -8.946 1.00 0.70 C ATOM 897 O LEU A 59 -7.030 -6.939 -7.912 1.00 0.68 O ATOM 898 CB LEU A 59 -4.881 -6.886 -10.519 1.00 0.95 C ATOM 899 CG LEU A 59 -3.939 -7.306 -9.373 1.00 1.03 C ATOM 900 CD1 LEU A 59 -4.158 -8.754 -8.932 1.00 1.33 C ATOM 901 CD2 LEU A 59 -2.488 -7.161 -9.830 1.00 1.71 C ATOM 0 H LEU A 59 -6.547 -6.322 -12.170 1.00 0.92 H new ATOM 0 HA LEU A 59 -6.595 -8.113 -10.031 1.00 0.82 H new ATOM 0 HB2 LEU A 59 -4.631 -7.467 -11.407 1.00 0.95 H new ATOM 0 HB3 LEU A 59 -4.693 -5.840 -10.760 1.00 0.95 H new ATOM 0 HG LEU A 59 -4.158 -6.655 -8.526 1.00 1.03 H new ATOM 0 HD11 LEU A 59 -3.469 -8.996 -8.123 1.00 1.33 H new ATOM 0 HD12 LEU A 59 -5.184 -8.877 -8.584 1.00 1.33 H new ATOM 0 HD13 LEU A 59 -3.978 -9.422 -9.774 1.00 1.33 H new ATOM 0 HD21 LEU A 59 -1.820 -7.457 -9.021 1.00 1.71 H new ATOM 0 HD22 LEU A 59 -2.314 -7.799 -10.696 1.00 1.71 H new ATOM 0 HD23 LEU A 59 -2.293 -6.123 -10.099 1.00 1.71 H new ATOM 913 N ALA A 60 -7.010 -4.989 -9.018 1.00 0.70 N ATOM 914 CA ALA A 60 -7.548 -4.218 -7.896 1.00 0.66 C ATOM 915 C ALA A 60 -9.034 -4.517 -7.645 1.00 0.66 C ATOM 916 O ALA A 60 -9.442 -4.684 -6.497 1.00 0.66 O ATOM 917 CB ALA A 60 -7.368 -2.727 -8.163 1.00 0.71 C ATOM 0 H ALA A 60 -6.805 -4.431 -9.847 1.00 0.70 H new ATOM 0 HA ALA A 60 -6.996 -4.512 -7.003 1.00 0.66 H new ATOM 0 HB1 ALA A 60 -7.770 -2.156 -7.326 1.00 0.71 H new ATOM 0 HB2 ALA A 60 -6.307 -2.504 -8.279 1.00 0.71 H new ATOM 0 HB3 ALA A 60 -7.898 -2.454 -9.076 1.00 0.71 H new ATOM 923 N MET A 61 -9.827 -4.616 -8.720 1.00 0.69 N ATOM 924 CA MET A 61 -11.276 -4.877 -8.669 1.00 0.75 C ATOM 925 C MET A 61 -11.604 -6.216 -7.987 1.00 0.80 C ATOM 926 O MET A 61 -12.645 -6.347 -7.344 1.00 0.86 O ATOM 927 CB MET A 61 -11.865 -4.881 -10.089 1.00 0.88 C ATOM 928 CG MET A 61 -11.550 -3.634 -10.928 1.00 0.86 C ATOM 929 SD MET A 61 -12.301 -2.088 -10.366 1.00 1.65 S ATOM 930 CE MET A 61 -14.029 -2.463 -10.737 1.00 1.99 C ATOM 0 H MET A 61 -9.474 -4.515 -9.671 1.00 0.69 H new ATOM 0 HA MET A 61 -11.721 -4.077 -8.077 1.00 0.75 H new ATOM 0 HB2 MET A 61 -11.493 -5.759 -10.617 1.00 0.88 H new ATOM 0 HB3 MET A 61 -12.947 -4.987 -10.016 1.00 0.88 H new ATOM 0 HG2 MET A 61 -10.468 -3.501 -10.953 1.00 0.86 H new ATOM 0 HG3 MET A 61 -11.872 -3.819 -11.953 1.00 0.86 H new ATOM 0 HE1 MET A 61 -14.615 -1.544 -10.711 1.00 1.99 H new ATOM 0 HE2 MET A 61 -14.100 -2.910 -11.729 1.00 1.99 H new ATOM 0 HE3 MET A 61 -14.417 -3.162 -9.996 1.00 1.99 H new ATOM 940 N LEU A 62 -10.703 -7.196 -8.102 1.00 0.85 N ATOM 941 CA LEU A 62 -10.699 -8.434 -7.325 1.00 0.92 C ATOM 942 C LEU A 62 -10.145 -8.244 -5.909 1.00 0.83 C ATOM 943 O LEU A 62 -10.756 -8.716 -4.950 1.00 0.90 O ATOM 944 CB LEU A 62 -9.825 -9.466 -8.045 1.00 1.10 C ATOM 945 CG LEU A 62 -10.401 -10.025 -9.357 1.00 2.27 C ATOM 946 CD1 LEU A 62 -9.348 -10.916 -10.013 1.00 2.43 C ATOM 947 CD2 LEU A 62 -11.666 -10.857 -9.126 1.00 3.55 C ATOM 0 H LEU A 62 -9.929 -7.145 -8.764 1.00 0.85 H new ATOM 0 HA LEU A 62 -11.734 -8.765 -7.239 1.00 0.92 H new ATOM 0 HB2 LEU A 62 -8.858 -9.011 -8.259 1.00 1.10 H new ATOM 0 HB3 LEU A 62 -9.642 -10.298 -7.365 1.00 1.10 H new ATOM 0 HG LEU A 62 -10.665 -9.180 -9.993 1.00 2.27 H new ATOM 0 HD11 LEU A 62 -9.743 -11.320 -10.945 1.00 2.43 H new ATOM 0 HD12 LEU A 62 -8.454 -10.329 -10.222 1.00 2.43 H new ATOM 0 HD13 LEU A 62 -9.095 -11.736 -9.341 1.00 2.43 H new ATOM 0 HD21 LEU A 62 -12.036 -11.230 -10.081 1.00 3.55 H new ATOM 0 HD22 LEU A 62 -11.434 -11.698 -8.473 1.00 3.55 H new ATOM 0 HD23 LEU A 62 -12.430 -10.235 -8.659 1.00 3.55 H new ATOM 959 N LEU A 63 -8.985 -7.589 -5.757 1.00 0.79 N ATOM 960 CA LEU A 63 -8.264 -7.577 -4.485 1.00 0.85 C ATOM 961 C LEU A 63 -9.040 -6.826 -3.400 1.00 0.79 C ATOM 962 O LEU A 63 -9.000 -7.224 -2.238 1.00 0.92 O ATOM 963 CB LEU A 63 -6.863 -7.010 -4.760 1.00 1.03 C ATOM 964 CG LEU A 63 -5.932 -6.953 -3.536 1.00 1.05 C ATOM 965 CD1 LEU A 63 -4.494 -7.174 -3.999 1.00 2.32 C ATOM 966 CD2 LEU A 63 -5.991 -5.592 -2.835 1.00 1.93 C ATOM 0 H LEU A 63 -8.529 -7.062 -6.502 1.00 0.79 H new ATOM 0 HA LEU A 63 -8.160 -8.585 -4.082 1.00 0.85 H new ATOM 0 HB2 LEU A 63 -6.387 -7.616 -5.531 1.00 1.03 H new ATOM 0 HB3 LEU A 63 -6.968 -6.003 -5.165 1.00 1.03 H new ATOM 0 HG LEU A 63 -6.257 -7.723 -2.837 1.00 1.05 H new ATOM 0 HD11 LEU A 63 -3.825 -7.136 -3.139 1.00 2.32 H new ATOM 0 HD12 LEU A 63 -4.412 -8.149 -4.479 1.00 2.32 H new ATOM 0 HD13 LEU A 63 -4.217 -6.395 -4.709 1.00 2.32 H new ATOM 0 HD21 LEU A 63 -5.319 -5.595 -1.977 1.00 1.93 H new ATOM 0 HD22 LEU A 63 -5.687 -4.811 -3.531 1.00 1.93 H new ATOM 0 HD23 LEU A 63 -7.010 -5.400 -2.497 1.00 1.93 H new ATOM 978 N PHE A 64 -9.777 -5.781 -3.776 1.00 0.69 N ATOM 979 CA PHE A 64 -10.589 -5.021 -2.817 1.00 0.70 C ATOM 980 C PHE A 64 -11.858 -5.781 -2.406 1.00 0.74 C ATOM 981 O PHE A 64 -12.178 -5.871 -1.221 1.00 0.91 O ATOM 982 CB PHE A 64 -10.824 -3.581 -3.306 1.00 0.67 C ATOM 983 CG PHE A 64 -12.177 -3.275 -3.922 1.00 0.64 C ATOM 984 CD1 PHE A 64 -12.508 -3.748 -5.204 1.00 1.88 C ATOM 985 CD2 PHE A 64 -13.100 -2.481 -3.220 1.00 2.02 C ATOM 986 CE1 PHE A 64 -13.743 -3.416 -5.788 1.00 1.95 C ATOM 987 CE2 PHE A 64 -14.324 -2.124 -3.810 1.00 1.99 C ATOM 988 CZ PHE A 64 -14.647 -2.588 -5.098 1.00 0.75 C ATOM 0 H PHE A 64 -9.831 -5.439 -4.736 1.00 0.69 H new ATOM 0 HA PHE A 64 -10.026 -4.920 -1.889 1.00 0.70 H new ATOM 0 HB2 PHE A 64 -10.676 -2.908 -2.461 1.00 0.67 H new ATOM 0 HB3 PHE A 64 -10.055 -3.343 -4.041 1.00 0.67 H new ATOM 0 HD1 PHE A 64 -11.809 -4.370 -5.743 1.00 1.88 H new ATOM 0 HD2 PHE A 64 -12.867 -2.143 -2.221 1.00 2.02 H new ATOM 0 HE1 PHE A 64 -13.998 -3.797 -6.766 1.00 1.95 H new ATOM 0 HE2 PHE A 64 -15.017 -1.493 -3.274 1.00 1.99 H new ATOM 0 HZ PHE A 64 -15.585 -2.310 -5.555 1.00 0.75 H new ATOM 998 N GLU A 65 -12.536 -6.429 -3.357 1.00 0.71 N ATOM 999 CA GLU A 65 -13.681 -7.299 -3.124 1.00 0.81 C ATOM 1000 C GLU A 65 -13.316 -8.460 -2.184 1.00 0.87 C ATOM 1001 O GLU A 65 -14.042 -8.719 -1.223 1.00 1.00 O ATOM 1002 CB GLU A 65 -14.144 -7.761 -4.515 1.00 0.89 C ATOM 1003 CG GLU A 65 -15.010 -9.014 -4.546 1.00 1.69 C ATOM 1004 CD GLU A 65 -16.325 -8.883 -3.771 1.00 2.63 C ATOM 1005 OE1 GLU A 65 -16.966 -7.810 -3.819 1.00 3.35 O ATOM 1006 OE2 GLU A 65 -16.748 -9.870 -3.117 1.00 3.89 O ATOM 0 H GLU A 65 -12.290 -6.356 -4.344 1.00 0.71 H new ATOM 0 HA GLU A 65 -14.494 -6.783 -2.613 1.00 0.81 H new ATOM 0 HB2 GLU A 65 -14.700 -6.947 -4.980 1.00 0.89 H new ATOM 0 HB3 GLU A 65 -13.262 -7.937 -5.130 1.00 0.89 H new ATOM 0 HG2 GLU A 65 -15.235 -9.262 -5.583 1.00 1.69 H new ATOM 0 HG3 GLU A 65 -14.440 -9.847 -4.135 1.00 1.69 H new ATOM 1013 N GLN A 66 -12.156 -9.090 -2.401 1.00 0.95 N ATOM 1014 CA GLN A 66 -11.636 -10.202 -1.596 1.00 1.07 C ATOM 1015 C GLN A 66 -10.895 -9.781 -0.310 1.00 1.21 C ATOM 1016 O GLN A 66 -10.222 -10.590 0.330 1.00 1.89 O ATOM 1017 CB GLN A 66 -10.772 -11.108 -2.483 1.00 1.43 C ATOM 1018 CG GLN A 66 -11.596 -11.859 -3.541 1.00 2.34 C ATOM 1019 CD GLN A 66 -10.786 -12.885 -4.332 1.00 3.02 C ATOM 1020 OE1 GLN A 66 -9.561 -12.956 -4.304 1.00 3.63 O ATOM 1021 NE2 GLN A 66 -11.452 -13.735 -5.079 1.00 4.01 N ATOM 0 H GLN A 66 -11.533 -8.832 -3.166 1.00 0.95 H new ATOM 0 HA GLN A 66 -12.501 -10.754 -1.228 1.00 1.07 H new ATOM 0 HB2 GLN A 66 -10.012 -10.505 -2.980 1.00 1.43 H new ATOM 0 HB3 GLN A 66 -10.247 -11.830 -1.857 1.00 1.43 H new ATOM 0 HG2 GLN A 66 -12.427 -12.365 -3.050 1.00 2.34 H new ATOM 0 HG3 GLN A 66 -12.027 -11.136 -4.234 1.00 2.34 H new ATOM 0 HE21 GLN A 66 -12.470 -13.692 -5.116 1.00 4.01 H new ATOM 0 HE22 GLN A 66 -10.951 -14.438 -5.622 1.00 4.01 H new ATOM 1030 N TYR A 67 -11.037 -8.518 0.084 1.00 0.92 N ATOM 1031 CA TYR A 67 -10.759 -8.002 1.429 1.00 1.02 C ATOM 1032 C TYR A 67 -11.996 -7.265 1.995 1.00 1.11 C ATOM 1033 O TYR A 67 -11.889 -6.199 2.605 1.00 1.43 O ATOM 1034 CB TYR A 67 -9.473 -7.154 1.420 1.00 1.00 C ATOM 1035 CG TYR A 67 -8.150 -7.895 1.257 1.00 1.00 C ATOM 1036 CD1 TYR A 67 -7.811 -8.956 2.120 1.00 1.77 C ATOM 1037 CD2 TYR A 67 -7.204 -7.446 0.311 1.00 2.39 C ATOM 1038 CE1 TYR A 67 -6.542 -9.564 2.038 1.00 1.77 C ATOM 1039 CE2 TYR A 67 -5.927 -8.033 0.242 1.00 2.54 C ATOM 1040 CZ TYR A 67 -5.589 -9.091 1.113 1.00 1.31 C ATOM 1041 OH TYR A 67 -4.343 -9.631 1.075 1.00 1.58 O ATOM 0 H TYR A 67 -11.364 -7.790 -0.552 1.00 0.92 H new ATOM 0 HA TYR A 67 -10.570 -8.830 2.112 1.00 1.02 H new ATOM 0 HB2 TYR A 67 -9.554 -6.426 0.613 1.00 1.00 H new ATOM 0 HB3 TYR A 67 -9.433 -6.592 2.353 1.00 1.00 H new ATOM 0 HD1 TYR A 67 -8.528 -9.305 2.849 1.00 1.77 H new ATOM 0 HD2 TYR A 67 -7.462 -6.645 -0.366 1.00 2.39 H new ATOM 0 HE1 TYR A 67 -6.299 -10.394 2.685 1.00 1.77 H new ATOM 0 HE2 TYR A 67 -5.206 -7.674 -0.477 1.00 2.54 H new ATOM 0 HH TYR A 67 -3.816 -9.188 0.378 1.00 1.58 H new ATOM 1051 N ASN A 68 -13.187 -7.844 1.793 1.00 1.17 N ATOM 1052 CA ASN A 68 -14.504 -7.351 2.226 1.00 1.32 C ATOM 1053 C ASN A 68 -14.856 -5.916 1.758 1.00 1.04 C ATOM 1054 O ASN A 68 -15.498 -5.149 2.489 1.00 1.09 O ATOM 1055 CB ASN A 68 -14.691 -7.618 3.734 1.00 1.78 C ATOM 1056 CG ASN A 68 -16.147 -7.624 4.194 1.00 2.38 C ATOM 1057 OD1 ASN A 68 -17.067 -7.968 3.461 1.00 2.93 O ATOM 1058 ND2 ASN A 68 -16.383 -7.281 5.437 1.00 2.61 N ATOM 0 H ASN A 68 -13.263 -8.728 1.290 1.00 1.17 H new ATOM 0 HA ASN A 68 -15.262 -7.930 1.698 1.00 1.32 H new ATOM 0 HB2 ASN A 68 -14.240 -8.580 3.980 1.00 1.78 H new ATOM 0 HB3 ASN A 68 -14.148 -6.858 4.296 1.00 1.78 H new ATOM 0 HD21 ASN A 68 -17.336 -7.300 5.799 1.00 2.61 H new ATOM 0 HD22 ASN A 68 -15.613 -6.996 6.042 1.00 2.61 H new ATOM 1065 N ARG A 69 -14.444 -5.581 0.525 1.00 0.92 N ATOM 1066 CA ARG A 69 -14.911 -4.460 -0.319 1.00 0.90 C ATOM 1067 C ARG A 69 -14.846 -3.042 0.283 1.00 0.85 C ATOM 1068 O ARG A 69 -15.683 -2.198 -0.038 1.00 1.45 O ATOM 1069 CB ARG A 69 -16.288 -4.841 -0.915 1.00 1.19 C ATOM 1070 CG ARG A 69 -16.573 -4.186 -2.277 1.00 1.79 C ATOM 1071 CD ARG A 69 -17.969 -4.559 -2.791 1.00 1.66 C ATOM 1072 NE ARG A 69 -18.307 -3.840 -4.029 1.00 2.84 N ATOM 1073 CZ ARG A 69 -17.885 -4.143 -5.271 1.00 3.84 C ATOM 1074 NH1 ARG A 69 -17.061 -5.177 -5.507 1.00 4.21 N ATOM 1075 NH2 ARG A 69 -18.297 -3.388 -6.297 1.00 5.25 N ATOM 0 H ARG A 69 -13.722 -6.125 0.053 1.00 0.92 H new ATOM 0 HA ARG A 69 -14.176 -4.343 -1.116 1.00 0.90 H new ATOM 0 HB2 ARG A 69 -16.340 -5.924 -1.024 1.00 1.19 H new ATOM 0 HB3 ARG A 69 -17.070 -4.554 -0.213 1.00 1.19 H new ATOM 0 HG2 ARG A 69 -16.494 -3.103 -2.186 1.00 1.79 H new ATOM 0 HG3 ARG A 69 -15.820 -4.501 -3.000 1.00 1.79 H new ATOM 0 HD2 ARG A 69 -18.015 -5.633 -2.971 1.00 1.66 H new ATOM 0 HD3 ARG A 69 -18.711 -4.332 -2.025 1.00 1.66 H new ATOM 0 HE ARG A 69 -18.922 -3.032 -3.937 1.00 2.84 H new ATOM 0 HH11 ARG A 69 -16.737 -5.758 -4.734 1.00 4.21 H new ATOM 0 HH12 ARG A 69 -16.759 -5.381 -6.460 1.00 4.21 H new ATOM 0 HH21 ARG A 69 -18.920 -2.598 -6.131 1.00 5.25 H new ATOM 0 HH22 ARG A 69 -17.987 -3.603 -7.245 1.00 5.25 H new ATOM 1089 N LEU A 70 -13.858 -2.746 1.131 1.00 0.71 N ATOM 1090 CA LEU A 70 -13.756 -1.450 1.832 1.00 0.73 C ATOM 1091 C LEU A 70 -13.366 -0.270 0.916 1.00 0.93 C ATOM 1092 O LEU A 70 -13.913 0.820 1.088 1.00 2.14 O ATOM 1093 CB LEU A 70 -12.785 -1.614 3.011 1.00 0.87 C ATOM 1094 CG LEU A 70 -12.677 -0.385 3.945 1.00 1.04 C ATOM 1095 CD1 LEU A 70 -12.427 -0.834 5.385 1.00 2.26 C ATOM 1096 CD2 LEU A 70 -11.525 0.552 3.558 1.00 2.60 C ATOM 0 H LEU A 70 -13.103 -3.394 1.356 1.00 0.71 H new ATOM 0 HA LEU A 70 -14.748 -1.183 2.197 1.00 0.73 H new ATOM 0 HB2 LEU A 70 -13.097 -2.475 3.602 1.00 0.87 H new ATOM 0 HB3 LEU A 70 -11.794 -1.841 2.617 1.00 0.87 H new ATOM 0 HG LEU A 70 -13.622 0.149 3.849 1.00 1.04 H new ATOM 0 HD11 LEU A 70 -12.353 0.041 6.031 1.00 2.26 H new ATOM 0 HD12 LEU A 70 -13.252 -1.463 5.719 1.00 2.26 H new ATOM 0 HD13 LEU A 70 -11.497 -1.400 5.433 1.00 2.26 H new ATOM 0 HD21 LEU A 70 -11.496 1.397 4.246 1.00 2.60 H new ATOM 0 HD22 LEU A 70 -10.581 0.009 3.610 1.00 2.60 H new ATOM 0 HD23 LEU A 70 -11.678 0.917 2.542 1.00 2.60 H new ATOM 1108 N ALA A 71 -12.467 -0.492 -0.050 1.00 0.73 N ATOM 1109 CA ALA A 71 -11.902 0.510 -0.966 1.00 0.71 C ATOM 1110 C ALA A 71 -11.169 1.661 -0.246 1.00 0.88 C ATOM 1111 O ALA A 71 -11.744 2.724 0.015 1.00 1.90 O ATOM 1112 CB ALA A 71 -12.971 1.005 -1.954 1.00 0.94 C ATOM 0 H ALA A 71 -12.093 -1.425 -0.224 1.00 0.73 H new ATOM 0 HA ALA A 71 -11.123 0.012 -1.542 1.00 0.71 H new ATOM 0 HB1 ALA A 71 -12.533 1.746 -2.623 1.00 0.94 H new ATOM 0 HB2 ALA A 71 -13.344 0.164 -2.538 1.00 0.94 H new ATOM 0 HB3 ALA A 71 -13.795 1.457 -1.402 1.00 0.94 H new ATOM 1118 N MET A 72 -9.882 1.471 0.073 1.00 0.80 N ATOM 1119 CA MET A 72 -9.068 2.520 0.704 1.00 0.80 C ATOM 1120 C MET A 72 -8.883 3.767 -0.194 1.00 0.76 C ATOM 1121 O MET A 72 -8.784 3.628 -1.419 1.00 0.76 O ATOM 1122 CB MET A 72 -7.722 1.951 1.184 1.00 1.00 C ATOM 1123 CG MET A 72 -6.688 1.716 0.075 1.00 1.17 C ATOM 1124 SD MET A 72 -5.137 1.021 0.719 1.00 0.93 S ATOM 1125 CE MET A 72 -4.047 1.323 -0.694 1.00 1.17 C ATOM 0 H MET A 72 -9.381 0.599 -0.096 1.00 0.80 H new ATOM 0 HA MET A 72 -9.620 2.868 1.577 1.00 0.80 H new ATOM 0 HB2 MET A 72 -7.296 2.635 1.919 1.00 1.00 H new ATOM 0 HB3 MET A 72 -7.905 1.006 1.696 1.00 1.00 H new ATOM 0 HG2 MET A 72 -7.105 1.040 -0.671 1.00 1.17 H new ATOM 0 HG3 MET A 72 -6.479 2.659 -0.431 1.00 1.17 H new ATOM 0 HE1 MET A 72 -3.116 0.773 -0.559 1.00 1.17 H new ATOM 0 HE2 MET A 72 -4.536 0.989 -1.609 1.00 1.17 H new ATOM 0 HE3 MET A 72 -3.832 2.389 -0.766 1.00 1.17 H new ATOM 1135 N PRO A 73 -8.817 4.980 0.386 1.00 0.82 N ATOM 1136 CA PRO A 73 -8.675 6.229 -0.364 1.00 0.89 C ATOM 1137 C PRO A 73 -7.223 6.541 -0.755 1.00 0.90 C ATOM 1138 O PRO A 73 -6.271 5.960 -0.228 1.00 0.90 O ATOM 1139 CB PRO A 73 -9.231 7.300 0.576 1.00 0.98 C ATOM 1140 CG PRO A 73 -8.832 6.784 1.955 1.00 0.98 C ATOM 1141 CD PRO A 73 -8.992 5.273 1.805 1.00 0.91 C ATOM 0 HA PRO A 73 -9.204 6.174 -1.315 1.00 0.89 H new ATOM 0 HB2 PRO A 73 -8.800 8.280 0.371 1.00 0.98 H new ATOM 0 HB3 PRO A 73 -10.312 7.400 0.480 1.00 0.98 H new ATOM 0 HG2 PRO A 73 -7.809 7.060 2.210 1.00 0.98 H new ATOM 0 HG3 PRO A 73 -9.475 7.184 2.739 1.00 0.98 H new ATOM 0 HD2 PRO A 73 -8.253 4.743 2.405 1.00 0.91 H new ATOM 0 HD3 PRO A 73 -9.974 4.950 2.150 1.00 0.91 H new ATOM 1149 N ASN A 74 -7.048 7.526 -1.639 1.00 0.98 N ATOM 1150 CA ASN A 74 -5.778 8.232 -1.798 1.00 1.04 C ATOM 1151 C ASN A 74 -5.545 9.149 -0.577 1.00 1.17 C ATOM 1152 O ASN A 74 -6.404 9.954 -0.211 1.00 2.00 O ATOM 1153 CB ASN A 74 -5.809 8.990 -3.143 1.00 1.12 C ATOM 1154 CG ASN A 74 -4.586 9.848 -3.417 1.00 1.20 C ATOM 1155 OD1 ASN A 74 -3.594 9.834 -2.702 1.00 1.46 O ATOM 1156 ND2 ASN A 74 -4.638 10.655 -4.450 1.00 1.93 N ATOM 0 H ASN A 74 -7.784 7.855 -2.264 1.00 0.98 H new ATOM 0 HA ASN A 74 -4.933 7.544 -1.830 1.00 1.04 H new ATOM 0 HB2 ASN A 74 -5.916 8.265 -3.950 1.00 1.12 H new ATOM 0 HB3 ASN A 74 -6.694 9.626 -3.166 1.00 1.12 H new ATOM 0 HD21 ASN A 74 -3.851 11.270 -4.657 1.00 1.93 H new ATOM 0 HD22 ASN A 74 -5.465 10.667 -5.047 1.00 1.93 H new ATOM 1163 N MET A 75 -4.367 9.040 0.049 1.00 1.06 N ATOM 1164 CA MET A 75 -3.978 9.836 1.225 1.00 1.21 C ATOM 1165 C MET A 75 -3.308 11.180 0.866 1.00 1.17 C ATOM 1166 O MET A 75 -2.868 11.895 1.766 1.00 1.91 O ATOM 1167 CB MET A 75 -3.089 9.001 2.167 1.00 1.43 C ATOM 1168 CG MET A 75 -3.752 7.705 2.659 1.00 1.76 C ATOM 1169 SD MET A 75 -5.318 7.894 3.553 1.00 2.07 S ATOM 1170 CE MET A 75 -4.742 8.714 5.064 1.00 2.73 C ATOM 0 H MET A 75 -3.644 8.386 -0.250 1.00 1.06 H new ATOM 0 HA MET A 75 -4.900 10.098 1.744 1.00 1.21 H new ATOM 0 HB2 MET A 75 -2.163 8.751 1.650 1.00 1.43 H new ATOM 0 HB3 MET A 75 -2.818 9.610 3.030 1.00 1.43 H new ATOM 0 HG2 MET A 75 -3.926 7.061 1.797 1.00 1.76 H new ATOM 0 HG3 MET A 75 -3.048 7.185 3.309 1.00 1.76 H new ATOM 0 HE1 MET A 75 -5.581 8.853 5.745 1.00 2.73 H new ATOM 0 HE2 MET A 75 -3.982 8.098 5.545 1.00 2.73 H new ATOM 0 HE3 MET A 75 -4.316 9.685 4.811 1.00 2.73 H new ATOM 1180 N ARG A 76 -3.209 11.525 -0.428 1.00 1.29 N ATOM 1181 CA ARG A 76 -2.528 12.721 -0.975 1.00 1.41 C ATOM 1182 C ARG A 76 -1.028 12.807 -0.630 1.00 1.07 C ATOM 1183 O ARG A 76 -0.443 13.888 -0.632 1.00 1.37 O ATOM 1184 CB ARG A 76 -3.353 13.997 -0.672 1.00 2.19 C ATOM 1185 CG ARG A 76 -3.738 14.796 -1.930 1.00 3.12 C ATOM 1186 CD ARG A 76 -2.555 15.379 -2.717 1.00 4.13 C ATOM 1187 NE ARG A 76 -1.832 16.402 -1.947 1.00 4.43 N ATOM 1188 CZ ARG A 76 -0.917 17.251 -2.450 1.00 5.66 C ATOM 1189 NH1 ARG A 76 -0.585 17.240 -3.752 1.00 6.63 N ATOM 1190 NH2 ARG A 76 -0.319 18.128 -1.632 1.00 6.51 N ATOM 0 H ARG A 76 -3.622 10.951 -1.163 1.00 1.29 H new ATOM 0 HA ARG A 76 -2.502 12.622 -2.060 1.00 1.41 H new ATOM 0 HB2 ARG A 76 -4.261 13.714 -0.139 1.00 2.19 H new ATOM 0 HB3 ARG A 76 -2.779 14.640 -0.005 1.00 2.19 H new ATOM 0 HG2 ARG A 76 -4.311 14.147 -2.593 1.00 3.12 H new ATOM 0 HG3 ARG A 76 -4.397 15.613 -1.636 1.00 3.12 H new ATOM 0 HD2 ARG A 76 -1.869 14.576 -2.988 1.00 4.13 H new ATOM 0 HD3 ARG A 76 -2.918 15.815 -3.648 1.00 4.13 H new ATOM 0 HE ARG A 76 -2.041 16.474 -0.951 1.00 4.43 H new ATOM 0 HH11 ARG A 76 -1.030 16.577 -4.386 1.00 6.63 H new ATOM 0 HH12 ARG A 76 0.112 17.895 -4.106 1.00 6.63 H new ATOM 0 HH21 ARG A 76 -0.559 18.147 -0.641 1.00 6.51 H new ATOM 0 HH22 ARG A 76 0.376 18.777 -2.001 1.00 6.51 H new ATOM 1204 N LEU A 77 -0.401 11.663 -0.341 1.00 1.07 N ATOM 1205 CA LEU A 77 1.003 11.553 0.073 1.00 1.37 C ATOM 1206 C LEU A 77 2.003 11.810 -1.070 1.00 1.38 C ATOM 1207 O LEU A 77 1.716 11.512 -2.229 1.00 1.51 O ATOM 1208 CB LEU A 77 1.243 10.223 0.815 1.00 1.98 C ATOM 1209 CG LEU A 77 1.386 8.952 -0.049 1.00 1.24 C ATOM 1210 CD1 LEU A 77 1.834 7.797 0.852 1.00 1.72 C ATOM 1211 CD2 LEU A 77 0.101 8.532 -0.767 1.00 2.59 C ATOM 0 H LEU A 77 -0.870 10.759 -0.390 1.00 1.07 H new ATOM 0 HA LEU A 77 1.200 12.360 0.779 1.00 1.37 H new ATOM 0 HB2 LEU A 77 2.147 10.328 1.414 1.00 1.98 H new ATOM 0 HB3 LEU A 77 0.417 10.069 1.509 1.00 1.98 H new ATOM 0 HG LEU A 77 2.116 9.186 -0.824 1.00 1.24 H new ATOM 0 HD11 LEU A 77 1.940 6.891 0.256 1.00 1.72 H new ATOM 0 HD12 LEU A 77 2.792 8.044 1.311 1.00 1.72 H new ATOM 0 HD13 LEU A 77 1.090 7.634 1.632 1.00 1.72 H new ATOM 0 HD21 LEU A 77 0.289 7.631 -1.351 1.00 2.59 H new ATOM 0 HD22 LEU A 77 -0.678 8.332 -0.031 1.00 2.59 H new ATOM 0 HD23 LEU A 77 -0.224 9.334 -1.430 1.00 2.59 H new ATOM 1223 N GLY A 78 3.175 12.352 -0.738 1.00 1.42 N ATOM 1224 CA GLY A 78 4.195 12.778 -1.704 1.00 1.56 C ATOM 1225 C GLY A 78 5.101 11.640 -2.191 1.00 1.28 C ATOM 1226 O GLY A 78 5.544 10.824 -1.389 1.00 1.20 O ATOM 0 H GLY A 78 3.450 12.512 0.231 1.00 1.42 H new ATOM 0 HA2 GLY A 78 3.701 13.230 -2.564 1.00 1.56 H new ATOM 0 HA3 GLY A 78 4.813 13.552 -1.248 1.00 1.56 H new ATOM 1230 N ASP A 79 5.432 11.587 -3.484 1.00 1.34 N ATOM 1231 CA ASP A 79 6.209 10.494 -4.101 1.00 1.30 C ATOM 1232 C ASP A 79 7.601 10.252 -3.469 1.00 0.97 C ATOM 1233 O ASP A 79 8.080 9.115 -3.450 1.00 1.13 O ATOM 1234 CB ASP A 79 6.320 10.773 -5.609 1.00 1.66 C ATOM 1235 CG ASP A 79 7.091 9.692 -6.372 1.00 2.35 C ATOM 1236 OD1 ASP A 79 6.575 8.557 -6.510 1.00 3.68 O ATOM 1237 OD2 ASP A 79 8.219 9.967 -6.849 1.00 2.87 O ATOM 0 H ASP A 79 5.165 12.313 -4.149 1.00 1.34 H new ATOM 0 HA ASP A 79 5.669 9.566 -3.914 1.00 1.30 H new ATOM 0 HB2 ASP A 79 5.318 10.860 -6.030 1.00 1.66 H new ATOM 0 HB3 ASP A 79 6.813 11.734 -5.758 1.00 1.66 H new ATOM 1242 N ALA A 80 8.233 11.273 -2.882 1.00 0.97 N ATOM 1243 CA ALA A 80 9.465 11.093 -2.107 1.00 0.91 C ATOM 1244 C ALA A 80 9.203 10.428 -0.738 1.00 0.79 C ATOM 1245 O ALA A 80 9.981 9.576 -0.302 1.00 0.93 O ATOM 1246 CB ALA A 80 10.158 12.449 -1.968 1.00 1.18 C ATOM 0 H ALA A 80 7.909 12.239 -2.929 1.00 0.97 H new ATOM 0 HA ALA A 80 10.124 10.407 -2.639 1.00 0.91 H new ATOM 0 HB1 ALA A 80 11.077 12.331 -1.393 1.00 1.18 H new ATOM 0 HB2 ALA A 80 10.397 12.839 -2.958 1.00 1.18 H new ATOM 0 HB3 ALA A 80 9.495 13.145 -1.454 1.00 1.18 H new ATOM 1252 N GLU A 81 8.088 10.752 -0.075 1.00 0.85 N ATOM 1253 CA GLU A 81 7.661 10.099 1.170 1.00 0.98 C ATOM 1254 C GLU A 81 7.164 8.660 0.914 1.00 0.86 C ATOM 1255 O GLU A 81 7.432 7.763 1.715 1.00 0.87 O ATOM 1256 CB GLU A 81 6.690 11.025 1.947 1.00 1.42 C ATOM 1257 CG GLU A 81 5.221 10.590 2.066 1.00 1.40 C ATOM 1258 CD GLU A 81 4.398 11.652 2.810 1.00 1.50 C ATOM 1259 OE1 GLU A 81 4.432 11.706 4.064 1.00 2.80 O ATOM 1260 OE2 GLU A 81 3.701 12.453 2.142 1.00 2.04 O ATOM 0 H GLU A 81 7.449 11.482 -0.390 1.00 0.85 H new ATOM 0 HA GLU A 81 8.514 9.957 1.834 1.00 0.98 H new ATOM 0 HB2 GLU A 81 7.084 11.151 2.955 1.00 1.42 H new ATOM 0 HB3 GLU A 81 6.711 12.006 1.471 1.00 1.42 H new ATOM 0 HG2 GLU A 81 4.803 10.429 1.072 1.00 1.40 H new ATOM 0 HG3 GLU A 81 5.160 9.639 2.595 1.00 1.40 H new ATOM 1267 N VAL A 82 6.571 8.397 -0.260 1.00 0.82 N ATOM 1268 CA VAL A 82 6.337 7.038 -0.781 1.00 0.82 C ATOM 1269 C VAL A 82 7.664 6.291 -0.911 1.00 0.81 C ATOM 1270 O VAL A 82 7.762 5.186 -0.400 1.00 0.85 O ATOM 1271 CB VAL A 82 5.585 7.039 -2.130 1.00 0.87 C ATOM 1272 CG1 VAL A 82 5.370 5.628 -2.704 1.00 0.95 C ATOM 1273 CG2 VAL A 82 4.199 7.670 -1.995 1.00 0.92 C ATOM 0 H VAL A 82 6.235 9.131 -0.884 1.00 0.82 H new ATOM 0 HA VAL A 82 5.697 6.524 -0.064 1.00 0.82 H new ATOM 0 HB VAL A 82 6.223 7.615 -2.801 1.00 0.87 H new ATOM 0 HG11 VAL A 82 4.836 5.698 -3.652 1.00 0.95 H new ATOM 0 HG12 VAL A 82 6.336 5.150 -2.866 1.00 0.95 H new ATOM 0 HG13 VAL A 82 4.785 5.035 -2.001 1.00 0.95 H new ATOM 0 HG21 VAL A 82 3.697 7.655 -2.962 1.00 0.92 H new ATOM 0 HG22 VAL A 82 3.611 7.105 -1.272 1.00 0.92 H new ATOM 0 HG23 VAL A 82 4.300 8.701 -1.655 1.00 0.92 H new ATOM 1283 N SER A 83 8.715 6.878 -1.495 1.00 0.80 N ATOM 1284 CA SER A 83 10.012 6.191 -1.653 1.00 0.81 C ATOM 1285 C SER A 83 10.649 5.778 -0.314 1.00 0.78 C ATOM 1286 O SER A 83 11.198 4.677 -0.186 1.00 0.77 O ATOM 1287 CB SER A 83 10.975 7.058 -2.471 1.00 0.90 C ATOM 1288 OG SER A 83 12.121 6.306 -2.820 1.00 2.16 O ATOM 0 H SER A 83 8.698 7.827 -1.868 1.00 0.80 H new ATOM 0 HA SER A 83 9.813 5.264 -2.191 1.00 0.81 H new ATOM 0 HB2 SER A 83 10.478 7.419 -3.371 1.00 0.90 H new ATOM 0 HB3 SER A 83 11.267 7.936 -1.895 1.00 0.90 H new ATOM 0 HG SER A 83 12.732 6.865 -3.344 1.00 2.16 H new ATOM 1294 N ALA A 84 10.502 6.604 0.727 1.00 0.83 N ATOM 1295 CA ALA A 84 10.922 6.261 2.087 1.00 0.86 C ATOM 1296 C ALA A 84 10.034 5.168 2.725 1.00 0.82 C ATOM 1297 O ALA A 84 10.548 4.239 3.349 1.00 0.79 O ATOM 1298 CB ALA A 84 10.956 7.553 2.912 1.00 1.01 C ATOM 0 H ALA A 84 10.087 7.532 0.648 1.00 0.83 H new ATOM 0 HA ALA A 84 11.919 5.821 2.061 1.00 0.86 H new ATOM 0 HB1 ALA A 84 11.267 7.325 3.932 1.00 1.01 H new ATOM 0 HB2 ALA A 84 11.663 8.252 2.465 1.00 1.01 H new ATOM 0 HB3 ALA A 84 9.963 8.002 2.927 1.00 1.01 H new ATOM 1304 N LEU A 85 8.713 5.205 2.519 1.00 0.83 N ATOM 1305 CA LEU A 85 7.767 4.179 2.988 1.00 0.86 C ATOM 1306 C LEU A 85 7.943 2.819 2.270 1.00 0.76 C ATOM 1307 O LEU A 85 7.867 1.763 2.898 1.00 0.83 O ATOM 1308 CB LEU A 85 6.353 4.762 2.810 1.00 1.01 C ATOM 1309 CG LEU A 85 5.195 3.843 3.231 1.00 1.12 C ATOM 1310 CD1 LEU A 85 5.279 3.428 4.698 1.00 2.51 C ATOM 1311 CD2 LEU A 85 3.872 4.577 3.018 1.00 1.59 C ATOM 0 H LEU A 85 8.259 5.964 2.011 1.00 0.83 H new ATOM 0 HA LEU A 85 7.956 3.949 4.037 1.00 0.86 H new ATOM 0 HB2 LEU A 85 6.286 5.686 3.384 1.00 1.01 H new ATOM 0 HB3 LEU A 85 6.219 5.028 1.761 1.00 1.01 H new ATOM 0 HG LEU A 85 5.259 2.943 2.620 1.00 1.12 H new ATOM 0 HD11 LEU A 85 4.437 2.780 4.942 1.00 2.51 H new ATOM 0 HD12 LEU A 85 6.212 2.892 4.872 1.00 2.51 H new ATOM 0 HD13 LEU A 85 5.248 4.316 5.330 1.00 2.51 H new ATOM 0 HD21 LEU A 85 3.046 3.931 3.315 1.00 1.59 H new ATOM 0 HD22 LEU A 85 3.858 5.484 3.622 1.00 1.59 H new ATOM 0 HD23 LEU A 85 3.767 4.840 1.965 1.00 1.59 H new ATOM 1323 N ILE A 86 8.259 2.846 0.975 1.00 0.66 N ATOM 1324 CA ILE A 86 8.665 1.698 0.150 1.00 0.68 C ATOM 1325 C ILE A 86 9.975 1.140 0.700 1.00 0.68 C ATOM 1326 O ILE A 86 10.087 -0.064 0.903 1.00 0.80 O ATOM 1327 CB ILE A 86 8.763 2.120 -1.339 1.00 0.78 C ATOM 1328 CG1 ILE A 86 7.431 1.910 -2.092 1.00 0.94 C ATOM 1329 CG2 ILE A 86 9.841 1.361 -2.137 1.00 0.99 C ATOM 1330 CD1 ILE A 86 6.145 2.354 -1.383 1.00 1.03 C ATOM 0 H ILE A 86 8.239 3.714 0.440 1.00 0.66 H new ATOM 0 HA ILE A 86 7.919 0.904 0.195 1.00 0.68 H new ATOM 0 HB ILE A 86 9.028 3.176 -1.286 1.00 0.78 H new ATOM 0 HG12 ILE A 86 7.493 2.441 -3.042 1.00 0.94 H new ATOM 0 HG13 ILE A 86 7.339 0.849 -2.325 1.00 0.94 H new ATOM 0 HG21 ILE A 86 9.846 1.714 -3.168 1.00 0.99 H new ATOM 0 HG22 ILE A 86 10.818 1.538 -1.688 1.00 0.99 H new ATOM 0 HG23 ILE A 86 9.622 0.293 -2.120 1.00 0.99 H new ATOM 0 HD11 ILE A 86 5.287 2.149 -2.023 1.00 1.03 H new ATOM 0 HD12 ILE A 86 6.038 1.806 -0.447 1.00 1.03 H new ATOM 0 HD13 ILE A 86 6.195 3.423 -1.175 1.00 1.03 H new ATOM 1342 N SER A 87 10.930 2.013 1.038 1.00 0.63 N ATOM 1343 CA SER A 87 12.192 1.616 1.663 1.00 0.68 C ATOM 1344 C SER A 87 12.001 0.988 3.051 1.00 0.73 C ATOM 1345 O SER A 87 12.776 0.102 3.401 1.00 0.89 O ATOM 1346 CB SER A 87 13.161 2.800 1.733 1.00 0.73 C ATOM 1347 OG SER A 87 13.478 3.251 0.428 1.00 1.49 O ATOM 0 H SER A 87 10.847 3.018 0.884 1.00 0.63 H new ATOM 0 HA SER A 87 12.623 0.843 1.027 1.00 0.68 H new ATOM 0 HB2 SER A 87 12.714 3.611 2.307 1.00 0.73 H new ATOM 0 HB3 SER A 87 14.071 2.504 2.254 1.00 0.73 H new ATOM 0 HG SER A 87 12.735 3.784 0.077 1.00 1.49 H new ATOM 1353 N TYR A 88 10.964 1.360 3.812 1.00 0.69 N ATOM 1354 CA TYR A 88 10.626 0.681 5.078 1.00 0.80 C ATOM 1355 C TYR A 88 10.074 -0.735 4.852 1.00 0.79 C ATOM 1356 O TYR A 88 10.494 -1.675 5.532 1.00 0.89 O ATOM 1357 CB TYR A 88 9.667 1.562 5.896 1.00 0.90 C ATOM 1358 CG TYR A 88 9.035 0.946 7.136 1.00 0.89 C ATOM 1359 CD1 TYR A 88 9.829 0.271 8.080 1.00 2.53 C ATOM 1360 CD2 TYR A 88 7.652 1.091 7.375 1.00 1.46 C ATOM 1361 CE1 TYR A 88 9.244 -0.303 9.223 1.00 2.60 C ATOM 1362 CE2 TYR A 88 7.064 0.539 8.531 1.00 1.43 C ATOM 1363 CZ TYR A 88 7.857 -0.184 9.449 1.00 1.04 C ATOM 1364 OH TYR A 88 7.293 -0.744 10.557 1.00 1.19 O ATOM 0 H TYR A 88 10.339 2.131 3.575 1.00 0.69 H new ATOM 0 HA TYR A 88 11.542 0.546 5.653 1.00 0.80 H new ATOM 0 HB2 TYR A 88 10.210 2.456 6.203 1.00 0.90 H new ATOM 0 HB3 TYR A 88 8.864 1.889 5.236 1.00 0.90 H new ATOM 0 HD1 TYR A 88 10.895 0.193 7.926 1.00 2.53 H new ATOM 0 HD2 TYR A 88 7.039 1.629 6.667 1.00 1.46 H new ATOM 0 HE1 TYR A 88 9.860 -0.837 9.931 1.00 2.60 H new ATOM 0 HE2 TYR A 88 6.008 0.669 8.715 1.00 1.43 H new ATOM 0 HH TYR A 88 6.329 -0.567 10.559 1.00 1.19 H new ATOM 1374 N LEU A 89 9.192 -0.920 3.867 1.00 0.74 N ATOM 1375 CA LEU A 89 8.663 -2.239 3.487 1.00 0.81 C ATOM 1376 C LEU A 89 9.718 -3.130 2.799 1.00 0.92 C ATOM 1377 O LEU A 89 9.677 -4.350 2.948 1.00 1.22 O ATOM 1378 CB LEU A 89 7.401 -2.039 2.625 1.00 0.77 C ATOM 1379 CG LEU A 89 6.085 -1.986 3.430 1.00 1.02 C ATOM 1380 CD1 LEU A 89 6.063 -0.956 4.564 1.00 2.04 C ATOM 1381 CD2 LEU A 89 4.926 -1.657 2.485 1.00 1.31 C ATOM 0 H LEU A 89 8.820 -0.155 3.304 1.00 0.74 H new ATOM 0 HA LEU A 89 8.391 -2.783 4.392 1.00 0.81 H new ATOM 0 HB2 LEU A 89 7.505 -1.113 2.059 1.00 0.77 H new ATOM 0 HB3 LEU A 89 7.338 -2.851 1.900 1.00 0.77 H new ATOM 0 HG LEU A 89 5.991 -2.970 3.890 1.00 1.02 H new ATOM 0 HD11 LEU A 89 5.099 -0.993 5.071 1.00 2.04 H new ATOM 0 HD12 LEU A 89 6.856 -1.182 5.276 1.00 2.04 H new ATOM 0 HD13 LEU A 89 6.218 0.041 4.153 1.00 2.04 H new ATOM 0 HD21 LEU A 89 3.995 -1.619 3.051 1.00 1.31 H new ATOM 0 HD22 LEU A 89 5.104 -0.690 2.014 1.00 1.31 H new ATOM 0 HD23 LEU A 89 4.853 -2.427 1.717 1.00 1.31 H new ATOM 1393 N GLU A 90 10.685 -2.540 2.092 1.00 0.85 N ATOM 1394 CA GLU A 90 11.829 -3.237 1.494 1.00 1.07 C ATOM 1395 C GLU A 90 12.833 -3.725 2.551 1.00 1.11 C ATOM 1396 O GLU A 90 13.246 -4.881 2.492 1.00 1.31 O ATOM 1397 CB GLU A 90 12.473 -2.337 0.424 1.00 1.24 C ATOM 1398 CG GLU A 90 13.444 -3.078 -0.515 1.00 1.51 C ATOM 1399 CD GLU A 90 14.916 -2.894 -0.134 1.00 2.44 C ATOM 1400 OE1 GLU A 90 15.420 -1.746 -0.176 1.00 3.72 O ATOM 1401 OE2 GLU A 90 15.620 -3.889 0.166 1.00 3.13 O ATOM 0 H GLU A 90 10.695 -1.536 1.914 1.00 0.85 H new ATOM 0 HA GLU A 90 11.473 -4.144 1.005 1.00 1.07 H new ATOM 0 HB2 GLU A 90 11.685 -1.879 -0.173 1.00 1.24 H new ATOM 0 HB3 GLU A 90 13.009 -1.528 0.919 1.00 1.24 H new ATOM 0 HG2 GLU A 90 13.204 -4.141 -0.508 1.00 1.51 H new ATOM 0 HG3 GLU A 90 13.293 -2.724 -1.535 1.00 1.51 H new ATOM 1408 N GLU A 91 13.157 -2.929 3.578 1.00 0.96 N ATOM 1409 CA GLU A 91 13.914 -3.435 4.742 1.00 0.95 C ATOM 1410 C GLU A 91 13.125 -4.500 5.525 1.00 1.28 C ATOM 1411 O GLU A 91 13.717 -5.405 6.109 1.00 1.44 O ATOM 1412 CB GLU A 91 14.334 -2.297 5.689 1.00 1.08 C ATOM 1413 CG GLU A 91 15.289 -1.254 5.090 1.00 1.39 C ATOM 1414 CD GLU A 91 16.706 -1.772 4.812 1.00 2.34 C ATOM 1415 OE1 GLU A 91 16.890 -2.603 3.886 1.00 3.38 O ATOM 1416 OE2 GLU A 91 17.655 -1.309 5.495 1.00 3.27 O ATOM 0 H GLU A 91 12.912 -1.940 3.632 1.00 0.96 H new ATOM 0 HA GLU A 91 14.813 -3.902 4.340 1.00 0.95 H new ATOM 0 HB2 GLU A 91 13.436 -1.785 6.034 1.00 1.08 H new ATOM 0 HB3 GLU A 91 14.808 -2.735 6.567 1.00 1.08 H new ATOM 0 HG2 GLU A 91 14.863 -0.883 4.158 1.00 1.39 H new ATOM 0 HG3 GLU A 91 15.353 -0.406 5.771 1.00 1.39 H new ATOM 1423 N GLU A 92 11.788 -4.479 5.475 1.00 1.59 N ATOM 1424 CA GLU A 92 10.952 -5.514 6.097 1.00 2.14 C ATOM 1425 C GLU A 92 11.042 -6.882 5.383 1.00 2.42 C ATOM 1426 O GLU A 92 10.599 -7.889 5.925 1.00 2.79 O ATOM 1427 CB GLU A 92 9.505 -5.011 6.269 1.00 2.37 C ATOM 1428 CG GLU A 92 8.807 -5.612 7.496 1.00 3.02 C ATOM 1429 CD GLU A 92 9.415 -5.165 8.834 1.00 3.12 C ATOM 1430 OE1 GLU A 92 9.370 -3.956 9.173 1.00 3.04 O ATOM 1431 OE2 GLU A 92 9.926 -6.026 9.582 1.00 4.02 O ATOM 0 H GLU A 92 11.256 -3.747 5.004 1.00 1.59 H new ATOM 0 HA GLU A 92 11.353 -5.702 7.093 1.00 2.14 H new ATOM 0 HB2 GLU A 92 9.511 -3.925 6.356 1.00 2.37 H new ATOM 0 HB3 GLU A 92 8.932 -5.256 5.375 1.00 2.37 H new ATOM 0 HG2 GLU A 92 7.753 -5.335 7.475 1.00 3.02 H new ATOM 0 HG3 GLU A 92 8.852 -6.699 7.432 1.00 3.02 H new ATOM 1438 N THR A 93 11.670 -6.962 4.201 1.00 2.49 N ATOM 1439 CA THR A 93 12.089 -8.246 3.592 1.00 2.83 C ATOM 1440 C THR A 93 13.287 -8.856 4.311 1.00 2.41 C ATOM 1441 O THR A 93 13.353 -10.066 4.517 1.00 2.63 O ATOM 1442 CB THR A 93 12.446 -8.116 2.104 1.00 3.33 C ATOM 1443 OG1 THR A 93 13.642 -7.397 1.892 1.00 5.26 O ATOM 1444 CG2 THR A 93 11.356 -7.394 1.342 1.00 3.20 C ATOM 0 H THR A 93 11.904 -6.145 3.637 1.00 2.49 H new ATOM 0 HA THR A 93 11.221 -8.897 3.694 1.00 2.83 H new ATOM 0 HB THR A 93 12.566 -9.139 1.747 1.00 3.33 H new ATOM 0 HG1 THR A 93 13.448 -6.436 1.879 1.00 5.26 H new ATOM 0 HG21 THR A 93 11.636 -7.317 0.292 1.00 3.20 H new ATOM 0 HG22 THR A 93 10.422 -7.950 1.428 1.00 3.20 H new ATOM 0 HG23 THR A 93 11.223 -6.395 1.756 1.00 3.20 H new ATOM 1452 N ALA A 94 14.222 -7.999 4.716 1.00 1.91 N ATOM 1453 CA ALA A 94 15.400 -8.362 5.507 1.00 1.71 C ATOM 1454 C ALA A 94 15.066 -8.615 6.995 1.00 1.47 C ATOM 1455 O ALA A 94 15.767 -9.381 7.657 1.00 1.67 O ATOM 1456 CB ALA A 94 16.459 -7.266 5.333 1.00 1.76 C ATOM 0 H ALA A 94 14.181 -7.004 4.497 1.00 1.91 H new ATOM 0 HA ALA A 94 15.792 -9.311 5.140 1.00 1.71 H new ATOM 0 HB1 ALA A 94 17.344 -7.520 5.916 1.00 1.76 H new ATOM 0 HB2 ALA A 94 16.729 -7.184 4.280 1.00 1.76 H new ATOM 0 HB3 ALA A 94 16.057 -6.314 5.679 1.00 1.76 H new