USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 553 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 21 HIS : no HE2:sc= -4.77! C(o=-6.4!,f=-8.6!) USER MOD Set 1.2: A 53 ASN : amide:sc= -1.6 K(o=-6.4,f=-9.8!) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 18 HIS : no HD1:sc= -0.079 X(o=-0.079,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -1.31 X(o=-1.3,f=-1.3) USER MOD Single : A 27 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0271) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.629 K(o=-0.63,f=-1.7!) USER MOD Single : A 33 ASN : amide:sc= -0.0869 X(o=-0.087,f=-0.37) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0.447 K(o=0.45,f=-0.094) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0411) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.245 K(o=-0.24,f=-1.3!) USER MOD Single : A 65 GLN : amide:sc= -0.542 K(o=-0.54,f=-2.7!) USER MOD Single : A 66 GLN : amide:sc= -0.0578 X(o=-0.058,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N MET A 9 -13.600 -7.660 4.211 1.00 1.18 N ATOM 59 CA MET A 9 -13.023 -6.537 3.481 1.00 0.82 C ATOM 60 C MET A 9 -12.257 -7.033 2.263 1.00 0.72 C ATOM 61 O MET A 9 -11.974 -8.226 2.141 1.00 0.97 O ATOM 62 CB MET A 9 -12.087 -5.747 4.392 1.00 1.08 C ATOM 63 CG MET A 9 -12.860 -4.907 5.403 1.00 1.61 C ATOM 64 SD MET A 9 -12.113 -4.933 7.041 1.00 2.27 S ATOM 65 CE MET A 9 -13.399 -5.765 7.985 1.00 2.82 C ATOM 0 HA MET A 9 -13.832 -5.888 3.147 1.00 0.82 H new ATOM 0 HB2 MET A 9 -11.427 -6.435 4.920 1.00 1.08 H new ATOM 0 HB3 MET A 9 -11.454 -5.098 3.788 1.00 1.08 H new ATOM 0 HG2 MET A 9 -12.914 -3.878 5.049 1.00 1.61 H new ATOM 0 HG3 MET A 9 -13.884 -5.276 5.469 1.00 1.61 H new ATOM 0 HE1 MET A 9 -13.085 -5.858 9.025 1.00 2.82 H new ATOM 0 HE2 MET A 9 -14.320 -5.185 7.935 1.00 2.82 H new ATOM 0 HE3 MET A 9 -13.572 -6.757 7.568 1.00 2.82 H new ATOM 75 N ASP A 10 -11.919 -6.116 1.363 1.00 0.49 N ATOM 76 CA ASP A 10 -11.179 -6.467 0.154 1.00 0.42 C ATOM 77 C ASP A 10 -9.704 -6.140 0.327 1.00 0.38 C ATOM 78 O ASP A 10 -9.352 -5.100 0.883 1.00 0.54 O ATOM 79 CB ASP A 10 -11.735 -5.715 -1.052 1.00 0.44 C ATOM 80 CG ASP A 10 -13.259 -5.699 -1.020 1.00 0.86 C ATOM 81 OD1 ASP A 10 -13.863 -6.784 -0.885 1.00 1.55 O ATOM 82 OD2 ASP A 10 -13.846 -4.602 -1.130 1.00 1.53 O ATOM 0 H ASP A 10 -12.145 -5.125 1.447 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.291 -7.538 -0.017 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -11.355 -4.693 -1.057 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -11.390 -6.187 -1.972 1.00 0.44 H new ATOM 87 N TYR A 11 -8.845 -7.033 -0.149 1.00 0.40 N ATOM 88 CA TYR A 11 -7.404 -6.838 -0.038 1.00 0.37 C ATOM 89 C TYR A 11 -6.722 -7.021 -1.388 1.00 0.34 C ATOM 90 O TYR A 11 -7.348 -7.428 -2.366 1.00 0.38 O ATOM 91 CB TYR A 11 -6.820 -7.818 0.973 1.00 0.42 C ATOM 92 CG TYR A 11 -7.060 -9.260 0.605 1.00 0.48 C ATOM 93 CD1 TYR A 11 -8.245 -9.881 0.960 1.00 0.54 C ATOM 94 CD2 TYR A 11 -6.095 -9.970 -0.086 1.00 0.57 C ATOM 95 CE1 TYR A 11 -8.464 -11.205 0.624 1.00 0.63 C ATOM 96 CE2 TYR A 11 -6.314 -11.294 -0.423 1.00 0.67 C ATOM 97 CZ TYR A 11 -7.497 -11.906 -0.067 1.00 0.67 C ATOM 98 OH TYR A 11 -7.714 -13.222 -0.401 1.00 0.78 O ATOM 0 H TYR A 11 -9.120 -7.898 -0.615 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.225 -5.818 0.302 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -5.747 -7.645 1.060 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -7.255 -7.622 1.953 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -9.001 -9.330 1.501 1.00 0.54 H new ATOM 0 HD2 TYR A 11 -5.168 -9.490 -0.363 1.00 0.57 H new ATOM 0 HE1 TYR A 11 -9.389 -11.688 0.902 1.00 0.63 H new ATOM 0 HE2 TYR A 11 -5.560 -11.847 -0.964 1.00 0.67 H new ATOM 0 HH TYR A 11 -6.936 -13.569 -0.886 1.00 0.78 H new ATOM 108 N VAL A 12 -5.430 -6.712 -1.427 1.00 0.34 N ATOM 109 CA VAL A 12 -4.638 -6.830 -2.644 1.00 0.34 C ATOM 110 C VAL A 12 -3.220 -6.332 -2.389 1.00 0.35 C ATOM 111 O VAL A 12 -3.020 -5.347 -1.681 1.00 0.51 O ATOM 112 CB VAL A 12 -5.279 -6.019 -3.766 1.00 0.38 C ATOM 113 CG1 VAL A 12 -5.481 -4.570 -3.335 1.00 0.52 C ATOM 114 CG2 VAL A 12 -4.436 -6.094 -5.037 1.00 0.81 C ATOM 0 H VAL A 12 -4.906 -6.375 -0.620 1.00 0.34 H new ATOM 0 HA VAL A 12 -4.601 -7.878 -2.942 1.00 0.34 H new ATOM 0 HB VAL A 12 -6.257 -6.449 -3.982 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -5.939 -4.009 -4.149 1.00 0.52 H new ATOM 0 HG12 VAL A 12 -6.131 -4.538 -2.461 1.00 0.52 H new ATOM 0 HG13 VAL A 12 -4.517 -4.127 -3.086 1.00 0.52 H new ATOM 0 HG21 VAL A 12 -4.912 -5.509 -5.824 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -3.442 -5.694 -4.838 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -4.352 -7.132 -5.357 1.00 0.81 H new ATOM 124 N GLU A 13 -2.239 -7.021 -2.961 1.00 0.49 N ATOM 125 CA GLU A 13 -0.841 -6.643 -2.779 1.00 0.54 C ATOM 126 C GLU A 13 -0.223 -6.198 -4.097 1.00 0.50 C ATOM 127 O GLU A 13 -0.568 -6.712 -5.162 1.00 0.60 O ATOM 128 CB GLU A 13 -0.046 -7.819 -2.210 1.00 0.67 C ATOM 129 CG GLU A 13 -0.850 -8.602 -1.174 1.00 1.05 C ATOM 130 CD GLU A 13 0.082 -9.235 -0.149 1.00 1.43 C ATOM 131 OE1 GLU A 13 1.098 -9.835 -0.557 1.00 1.97 O ATOM 132 OE2 GLU A 13 -0.206 -9.130 1.062 1.00 2.05 O ATOM 0 H GLU A 13 -2.384 -7.840 -3.552 1.00 0.49 H new ATOM 0 HA GLU A 13 -0.805 -5.809 -2.078 1.00 0.54 H new ATOM 0 HB2 GLU A 13 0.247 -8.485 -3.021 1.00 0.67 H new ATOM 0 HB3 GLU A 13 0.872 -7.449 -1.753 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -1.555 -7.938 -0.673 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -1.437 -9.376 -1.669 1.00 1.05 H new ATOM 139 N ILE A 14 0.701 -5.246 -4.017 1.00 0.48 N ATOM 140 CA ILE A 14 1.382 -4.734 -5.200 1.00 0.49 C ATOM 141 C ILE A 14 2.834 -5.190 -5.202 1.00 0.48 C ATOM 142 O ILE A 14 3.558 -4.995 -4.226 1.00 0.43 O ATOM 143 CB ILE A 14 1.313 -3.210 -5.234 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.776 -2.618 -3.905 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.099 -2.738 -5.568 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.953 -1.105 -3.999 1.00 0.63 C ATOM 0 H ILE A 14 0.996 -4.813 -3.142 1.00 0.48 H new ATOM 0 HA ILE A 14 0.885 -5.126 -6.087 1.00 0.49 H new ATOM 0 HB ILE A 14 1.984 -2.859 -6.018 1.00 0.52 H new ATOM 0 HG12 ILE A 14 1.049 -2.853 -3.128 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.719 -3.078 -3.609 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.124 -1.648 -5.587 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.390 -3.124 -6.545 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -0.793 -3.104 -4.812 1.00 0.64 H new ATOM 0 HD11 ILE A 14 2.283 -0.717 -3.035 1.00 0.63 H new ATOM 0 HD12 ILE A 14 2.699 -0.872 -4.759 1.00 0.63 H new ATOM 0 HD13 ILE A 14 1.003 -0.644 -4.270 1.00 0.63 H new ATOM 158 N ASN A 15 3.255 -5.809 -6.299 1.00 0.59 N ATOM 159 CA ASN A 15 4.621 -6.305 -6.422 1.00 0.62 C ATOM 160 C ASN A 15 5.616 -5.154 -6.467 1.00 0.60 C ATOM 161 O ASN A 15 5.486 -4.235 -7.276 1.00 0.78 O ATOM 162 CB ASN A 15 4.752 -7.155 -7.683 1.00 0.79 C ATOM 163 CG ASN A 15 5.205 -8.565 -7.325 1.00 1.31 C ATOM 164 OD1 ASN A 15 6.312 -8.764 -6.824 1.00 2.20 O ATOM 165 ND2 ASN A 15 4.349 -9.546 -7.583 1.00 1.54 N ATOM 0 H ASN A 15 2.670 -5.980 -7.117 1.00 0.59 H new ATOM 0 HA ASN A 15 4.844 -6.916 -5.548 1.00 0.62 H new ATOM 0 HB2 ASN A 15 3.796 -7.194 -8.204 1.00 0.79 H new ATOM 0 HB3 ASN A 15 5.468 -6.698 -8.365 1.00 0.79 H new ATOM 0 HD21 ASN A 15 4.598 -10.511 -7.365 1.00 1.54 H new ATOM 0 HD22 ASN A 15 3.442 -9.335 -7.999 1.00 1.54 H new ATOM 172 N ILE A 16 6.616 -5.216 -5.593 1.00 0.49 N ATOM 173 CA ILE A 16 7.647 -4.188 -5.524 1.00 0.49 C ATOM 174 C ILE A 16 9.020 -4.834 -5.386 1.00 0.56 C ATOM 175 O ILE A 16 9.131 -5.988 -4.972 1.00 0.66 O ATOM 176 CB ILE A 16 7.385 -3.261 -4.342 1.00 0.48 C ATOM 177 CG1 ILE A 16 5.951 -2.739 -4.375 1.00 0.63 C ATOM 178 CG2 ILE A 16 8.377 -2.102 -4.333 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.703 -1.853 -5.592 1.00 0.84 C ATOM 0 H ILE A 16 6.734 -5.973 -4.919 1.00 0.49 H new ATOM 0 HA ILE A 16 7.622 -3.603 -6.443 1.00 0.49 H new ATOM 0 HB ILE A 16 7.521 -3.834 -3.425 1.00 0.48 H new ATOM 0 HG12 ILE A 16 5.258 -3.580 -4.389 1.00 0.63 H new ATOM 0 HG13 ILE A 16 5.748 -2.174 -3.465 1.00 0.63 H new ATOM 0 HG21 ILE A 16 8.171 -1.454 -3.481 1.00 0.58 H new ATOM 0 HG22 ILE A 16 9.392 -2.492 -4.255 1.00 0.58 H new ATOM 0 HG23 ILE A 16 8.278 -1.531 -5.256 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.672 -1.500 -5.581 1.00 0.84 H new ATOM 0 HD12 ILE A 16 6.379 -0.998 -5.564 1.00 0.84 H new ATOM 0 HD13 ILE A 16 5.881 -2.426 -6.502 1.00 0.84 H new ATOM 191 N ASP A 17 10.065 -4.092 -5.741 1.00 0.63 N ATOM 192 CA ASP A 17 11.428 -4.608 -5.658 1.00 0.75 C ATOM 193 C ASP A 17 12.347 -3.615 -4.958 1.00 1.00 C ATOM 194 O ASP A 17 12.711 -3.802 -3.798 1.00 1.75 O ATOM 195 CB ASP A 17 11.956 -4.900 -7.058 1.00 1.27 C ATOM 196 CG ASP A 17 11.615 -6.328 -7.465 1.00 1.63 C ATOM 197 OD1 ASP A 17 10.532 -6.537 -8.051 1.00 2.16 O ATOM 198 OD2 ASP A 17 12.431 -7.234 -7.197 1.00 2.21 O ATOM 0 H ASP A 17 9.995 -3.135 -6.088 1.00 0.63 H new ATOM 0 HA ASP A 17 11.410 -5.529 -5.075 1.00 0.75 H new ATOM 0 HB2 ASP A 17 11.523 -4.198 -7.771 1.00 1.27 H new ATOM 0 HB3 ASP A 17 13.036 -4.755 -7.084 1.00 1.27 H new ATOM 203 N HIS A 18 12.726 -2.559 -5.675 1.00 1.27 N ATOM 204 CA HIS A 18 13.613 -1.533 -5.131 1.00 1.85 C ATOM 205 C HIS A 18 13.172 -1.112 -3.733 1.00 1.32 C ATOM 206 O HIS A 18 12.072 -1.446 -3.292 1.00 2.00 O ATOM 207 CB HIS A 18 13.634 -0.321 -6.055 1.00 2.83 C ATOM 208 CG HIS A 18 14.787 -0.336 -7.009 1.00 3.48 C ATOM 209 ND1 HIS A 18 14.645 -0.202 -8.366 1.00 4.01 N ATOM 210 CD2 HIS A 18 16.124 -0.475 -6.810 1.00 4.16 C ATOM 211 CE1 HIS A 18 15.810 -0.253 -8.968 1.00 4.73 C ATOM 212 NE2 HIS A 18 16.743 -0.419 -8.045 1.00 4.84 N ATOM 0 H HIS A 18 12.432 -2.391 -6.637 1.00 1.27 H new ATOM 0 HA HIS A 18 14.616 -1.953 -5.061 1.00 1.85 H new ATOM 0 HB2 HIS A 18 12.702 -0.285 -6.620 1.00 2.83 H new ATOM 0 HB3 HIS A 18 13.678 0.587 -5.454 1.00 2.83 H new ATOM 0 HD2 HIS A 18 16.615 -0.606 -5.857 1.00 4.16 H new ATOM 0 HE1 HIS A 18 15.978 -0.173 -10.032 1.00 4.73 H new ATOM 0 HE2 HIS A 18 17.746 -0.493 -8.215 1.00 4.84 H new ATOM 220 N LYS A 19 14.039 -0.378 -3.042 1.00 0.82 N ATOM 221 CA LYS A 19 13.747 0.092 -1.692 1.00 0.84 C ATOM 222 C LYS A 19 12.623 1.119 -1.715 1.00 0.77 C ATOM 223 O LYS A 19 12.836 2.293 -1.414 1.00 1.13 O ATOM 224 CB LYS A 19 14.998 0.707 -1.072 1.00 1.47 C ATOM 225 CG LYS A 19 15.684 1.676 -2.033 1.00 1.97 C ATOM 226 CD LYS A 19 16.363 2.822 -1.289 1.00 2.72 C ATOM 227 CE LYS A 19 17.861 2.866 -1.572 1.00 3.37 C ATOM 228 NZ LYS A 19 18.153 3.598 -2.837 1.00 4.03 N ATOM 0 H LYS A 19 14.953 -0.095 -3.396 1.00 0.82 H new ATOM 0 HA LYS A 19 13.429 -0.759 -1.090 1.00 0.84 H new ATOM 0 HB2 LYS A 19 14.730 1.232 -0.155 1.00 1.47 H new ATOM 0 HB3 LYS A 19 15.694 -0.085 -0.794 1.00 1.47 H new ATOM 0 HG2 LYS A 19 16.424 1.138 -2.626 1.00 1.97 H new ATOM 0 HG3 LYS A 19 14.949 2.079 -2.730 1.00 1.97 H new ATOM 0 HD2 LYS A 19 15.909 3.768 -1.584 1.00 2.72 H new ATOM 0 HD3 LYS A 19 16.198 2.709 -0.217 1.00 2.72 H new ATOM 0 HE2 LYS A 19 18.376 3.350 -0.742 1.00 3.37 H new ATOM 0 HE3 LYS A 19 18.250 1.850 -1.639 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 19.180 3.611 -3.002 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 17.681 3.121 -3.631 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 17.802 4.574 -2.762 1.00 4.03 H new ATOM 242 N PHE A 20 11.426 0.669 -2.077 1.00 0.63 N ATOM 243 CA PHE A 20 10.264 1.548 -2.142 1.00 0.61 C ATOM 244 C PHE A 20 9.669 1.749 -0.754 1.00 0.62 C ATOM 245 O PHE A 20 9.177 2.830 -0.429 1.00 0.95 O ATOM 246 CB PHE A 20 9.215 0.955 -3.078 1.00 0.62 C ATOM 247 CG PHE A 20 8.855 1.871 -4.219 1.00 0.75 C ATOM 248 CD1 PHE A 20 9.841 2.605 -4.858 1.00 1.08 C ATOM 249 CD2 PHE A 20 7.539 1.984 -4.633 1.00 0.96 C ATOM 250 CE1 PHE A 20 9.511 3.447 -5.906 1.00 1.26 C ATOM 251 CE2 PHE A 20 7.210 2.826 -5.681 1.00 1.17 C ATOM 252 CZ PHE A 20 8.196 3.558 -6.317 1.00 1.19 C ATOM 0 H PHE A 20 11.235 -0.300 -2.330 1.00 0.63 H new ATOM 0 HA PHE A 20 10.581 2.517 -2.528 1.00 0.61 H new ATOM 0 HB2 PHE A 20 9.587 0.013 -3.480 1.00 0.62 H new ATOM 0 HB3 PHE A 20 8.316 0.725 -2.507 1.00 0.62 H new ATOM 0 HD1 PHE A 20 10.869 2.520 -4.538 1.00 1.08 H new ATOM 0 HD2 PHE A 20 6.767 1.414 -4.137 1.00 0.96 H new ATOM 0 HE1 PHE A 20 10.282 4.018 -6.403 1.00 1.26 H new ATOM 0 HE2 PHE A 20 6.182 2.911 -6.002 1.00 1.17 H new ATOM 0 HZ PHE A 20 7.939 4.216 -7.134 1.00 1.19 H new ATOM 262 N HIS A 21 9.714 0.701 0.061 1.00 0.53 N ATOM 263 CA HIS A 21 9.177 0.757 1.415 1.00 0.57 C ATOM 264 C HIS A 21 9.804 1.906 2.194 1.00 0.69 C ATOM 265 O HIS A 21 9.156 2.921 2.451 1.00 1.03 O ATOM 266 CB HIS A 21 9.447 -0.559 2.139 1.00 0.54 C ATOM 267 CG HIS A 21 8.722 -1.722 1.536 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.320 -2.814 2.259 1.00 0.48 N ATOM 269 CD2 HIS A 21 8.321 -1.977 0.264 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.710 -3.687 1.492 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.691 -3.208 0.260 1.00 0.42 N ATOM 0 H HIS A 21 10.118 -0.200 -0.194 1.00 0.53 H new ATOM 0 HA HIS A 21 8.101 0.922 1.351 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.518 -0.760 2.126 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.154 -0.458 3.184 1.00 0.54 H new ATOM 0 HD1 HIS A 21 8.474 -2.933 3.260 1.00 0.48 H new ATOM 0 HD2 HIS A 21 8.468 -1.334 -0.591 1.00 0.44 H new ATOM 0 HE1 HIS A 21 7.296 -4.632 1.812 1.00 0.45 H new ATOM 279 N ARG A 22 11.069 1.738 2.572 1.00 0.68 N ATOM 280 CA ARG A 22 11.793 2.757 3.329 1.00 0.80 C ATOM 281 C ARG A 22 11.586 4.138 2.719 1.00 0.81 C ATOM 282 O ARG A 22 11.444 5.129 3.436 1.00 0.92 O ATOM 283 CB ARG A 22 13.282 2.422 3.359 1.00 0.93 C ATOM 284 CG ARG A 22 13.755 2.081 4.769 1.00 1.64 C ATOM 285 CD ARG A 22 13.364 0.660 5.167 1.00 2.14 C ATOM 286 NE ARG A 22 14.554 -0.157 5.372 1.00 2.73 N ATOM 287 CZ ARG A 22 14.491 -1.484 5.409 1.00 3.33 C ATOM 288 NH1 ARG A 22 14.123 -2.103 6.522 1.00 3.95 N ATOM 289 NH2 ARG A 22 14.798 -2.194 4.331 1.00 3.72 N ATOM 0 H ARG A 22 11.616 0.902 2.365 1.00 0.68 H new ATOM 0 HA ARG A 22 11.403 2.769 4.347 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.479 1.580 2.695 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.853 3.269 2.978 1.00 0.93 H new ATOM 0 HG2 ARG A 22 14.838 2.190 4.826 1.00 1.64 H new ATOM 0 HG3 ARG A 22 13.326 2.789 5.478 1.00 1.64 H new ATOM 0 HD2 ARG A 22 12.769 0.682 6.080 1.00 2.14 H new ATOM 0 HD3 ARG A 22 12.740 0.217 4.391 1.00 2.14 H new ATOM 0 HE ARG A 22 15.458 0.301 5.490 1.00 2.73 H new ATOM 0 HH11 ARG A 22 13.887 -1.561 7.353 1.00 3.95 H new ATOM 0 HH12 ARG A 22 14.076 -3.122 6.547 1.00 3.95 H new ATOM 0 HH21 ARG A 22 15.083 -1.721 3.473 1.00 3.72 H new ATOM 0 HH22 ARG A 22 14.749 -3.212 4.360 1.00 3.72 H new ATOM 303 N HIS A 23 11.572 4.196 1.391 1.00 0.90 N ATOM 304 CA HIS A 23 11.382 5.456 0.681 1.00 0.98 C ATOM 305 C HIS A 23 9.953 5.957 0.854 1.00 0.96 C ATOM 306 O HIS A 23 9.715 7.161 0.944 1.00 1.12 O ATOM 307 CB HIS A 23 11.689 5.267 -0.801 1.00 1.02 C ATOM 308 CG HIS A 23 13.041 5.778 -1.190 1.00 1.30 C ATOM 309 ND1 HIS A 23 13.606 6.903 -0.648 1.00 1.83 N ATOM 310 CD2 HIS A 23 13.960 5.319 -2.078 1.00 1.56 C ATOM 311 CE1 HIS A 23 14.793 7.129 -1.163 1.00 2.07 C ATOM 312 NE2 HIS A 23 15.045 6.176 -2.045 1.00 1.86 N ATOM 0 H HIS A 23 11.690 3.384 0.784 1.00 0.90 H new ATOM 0 HA HIS A 23 12.064 6.197 1.099 1.00 0.98 H new ATOM 0 HB2 HIS A 23 11.623 4.207 -1.047 1.00 1.02 H new ATOM 0 HB3 HIS A 23 10.930 5.780 -1.392 1.00 1.02 H new ATOM 0 HD2 HIS A 23 13.861 4.441 -2.699 1.00 1.56 H new ATOM 0 HE1 HIS A 23 15.448 7.949 -0.911 1.00 2.07 H new ATOM 0 HE2 HIS A 23 15.893 6.088 -2.604 1.00 1.86 H new ATOM 320 N LEU A 24 9.005 5.026 0.897 1.00 0.86 N ATOM 321 CA LEU A 24 7.597 5.372 1.055 1.00 0.87 C ATOM 322 C LEU A 24 7.297 5.760 2.498 1.00 0.97 C ATOM 323 O LEU A 24 6.537 6.695 2.753 1.00 1.16 O ATOM 324 CB LEU A 24 6.718 4.194 0.643 1.00 0.73 C ATOM 325 CG LEU A 24 6.374 4.244 -0.843 1.00 0.76 C ATOM 326 CD1 LEU A 24 6.716 2.921 -1.522 1.00 0.72 C ATOM 327 CD2 LEU A 24 4.901 4.590 -1.045 1.00 1.25 C ATOM 0 H LEU A 24 9.187 4.025 0.825 1.00 0.86 H new ATOM 0 HA LEU A 24 7.379 6.225 0.412 1.00 0.87 H new ATOM 0 HB2 LEU A 24 7.232 3.259 0.867 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.800 4.201 1.230 1.00 0.73 H new ATOM 0 HG LEU A 24 6.974 5.028 -1.305 1.00 0.76 H new ATOM 0 HD11 LEU A 24 6.463 2.979 -2.581 1.00 0.72 H new ATOM 0 HD12 LEU A 24 7.782 2.722 -1.415 1.00 0.72 H new ATOM 0 HD13 LEU A 24 6.148 2.116 -1.057 1.00 0.72 H new ATOM 0 HD21 LEU A 24 4.677 4.620 -2.111 1.00 1.25 H new ATOM 0 HD22 LEU A 24 4.280 3.833 -0.565 1.00 1.25 H new ATOM 0 HD23 LEU A 24 4.692 5.564 -0.603 1.00 1.25 H new ATOM 339 N ILE A 25 7.896 5.039 3.440 1.00 0.92 N ATOM 340 CA ILE A 25 7.690 5.311 4.858 1.00 1.10 C ATOM 341 C ILE A 25 8.776 6.234 5.404 1.00 1.41 C ATOM 342 O ILE A 25 8.981 6.310 6.616 1.00 1.91 O ATOM 343 CB ILE A 25 7.680 4.002 5.642 1.00 0.94 C ATOM 344 CG1 ILE A 25 9.030 3.295 5.529 1.00 0.90 C ATOM 345 CG2 ILE A 25 6.559 3.089 5.156 1.00 1.06 C ATOM 346 CD1 ILE A 25 9.280 2.372 6.718 1.00 0.91 C ATOM 0 H ILE A 25 8.528 4.262 3.247 1.00 0.92 H new ATOM 0 HA ILE A 25 6.728 5.811 4.972 1.00 1.10 H new ATOM 0 HB ILE A 25 7.501 4.237 6.691 1.00 0.94 H new ATOM 0 HG12 ILE A 25 9.063 2.717 4.605 1.00 0.90 H new ATOM 0 HG13 ILE A 25 9.826 4.037 5.469 1.00 0.90 H new ATOM 0 HG21 ILE A 25 6.571 2.162 5.729 1.00 1.06 H new ATOM 0 HG22 ILE A 25 5.599 3.587 5.292 1.00 1.06 H new ATOM 0 HG23 ILE A 25 6.705 2.865 4.099 1.00 1.06 H new ATOM 0 HD11 ILE A 25 10.249 1.886 6.604 1.00 0.91 H new ATOM 0 HD12 ILE A 25 9.273 2.955 7.639 1.00 0.91 H new ATOM 0 HD13 ILE A 25 8.497 1.615 6.762 1.00 0.91 H new ATOM 358 N GLY A 26 9.472 6.935 4.510 1.00 1.49 N ATOM 359 CA GLY A 26 10.535 7.853 4.909 1.00 1.87 C ATOM 360 C GLY A 26 11.463 7.211 5.935 1.00 1.82 C ATOM 361 O GLY A 26 12.056 6.162 5.681 1.00 2.29 O ATOM 0 H GLY A 26 9.318 6.884 3.503 1.00 1.49 H new ATOM 0 HA2 GLY A 26 11.109 8.151 4.032 1.00 1.87 H new ATOM 0 HA3 GLY A 26 10.098 8.760 5.327 1.00 1.87 H new ATOM 365 N LYS A 27 11.585 7.851 7.093 1.00 1.86 N ATOM 366 CA LYS A 27 12.440 7.349 8.163 1.00 1.91 C ATOM 367 C LYS A 27 11.622 6.538 9.160 1.00 1.62 C ATOM 368 O LYS A 27 12.043 5.468 9.599 1.00 2.38 O ATOM 369 CB LYS A 27 13.119 8.513 8.878 1.00 2.21 C ATOM 370 CG LYS A 27 14.545 8.726 8.376 1.00 2.65 C ATOM 371 CD LYS A 27 15.373 9.536 9.369 1.00 3.30 C ATOM 372 CE LYS A 27 15.852 8.675 10.535 1.00 3.80 C ATOM 373 NZ LYS A 27 16.991 7.803 10.134 1.00 4.51 N ATOM 0 H LYS A 27 11.101 8.721 7.315 1.00 1.86 H new ATOM 0 HA LYS A 27 13.201 6.703 7.725 1.00 1.91 H new ATOM 0 HB2 LYS A 27 12.539 9.423 8.725 1.00 2.21 H new ATOM 0 HB3 LYS A 27 13.135 8.322 9.951 1.00 2.21 H new ATOM 0 HG2 LYS A 27 15.020 7.760 8.207 1.00 2.65 H new ATOM 0 HG3 LYS A 27 14.521 9.241 7.416 1.00 2.65 H new ATOM 0 HD2 LYS A 27 16.233 9.969 8.858 1.00 3.30 H new ATOM 0 HD3 LYS A 27 14.777 10.366 9.749 1.00 3.30 H new ATOM 0 HE2 LYS A 27 16.156 9.316 11.362 1.00 3.80 H new ATOM 0 HE3 LYS A 27 15.029 8.058 10.896 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 17.370 7.319 10.973 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 16.662 7.096 9.446 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 17.738 8.384 9.703 1.00 4.51 H new ATOM 387 N SER A 28 10.451 7.057 9.516 1.00 1.28 N ATOM 388 CA SER A 28 9.570 6.385 10.464 1.00 1.60 C ATOM 389 C SER A 28 8.350 5.817 9.750 1.00 1.60 C ATOM 390 O SER A 28 8.018 4.642 9.909 1.00 2.28 O ATOM 391 CB SER A 28 9.126 7.365 11.545 1.00 1.99 C ATOM 392 OG SER A 28 8.951 6.688 12.782 1.00 2.57 O ATOM 0 H SER A 28 10.090 7.943 9.161 1.00 1.28 H new ATOM 0 HA SER A 28 10.118 5.564 10.925 1.00 1.60 H new ATOM 0 HB2 SER A 28 9.869 8.155 11.657 1.00 1.99 H new ATOM 0 HB3 SER A 28 8.193 7.845 11.250 1.00 1.99 H new ATOM 0 HG SER A 28 8.668 7.328 13.468 1.00 2.57 H new ATOM 398 N GLY A 29 7.686 6.658 8.964 1.00 1.21 N ATOM 399 CA GLY A 29 6.499 6.241 8.225 1.00 1.23 C ATOM 400 C GLY A 29 5.406 7.296 8.315 1.00 1.36 C ATOM 401 O GLY A 29 4.918 7.608 9.401 1.00 2.05 O ATOM 0 H GLY A 29 7.950 7.633 8.822 1.00 1.21 H new ATOM 0 HA2 GLY A 29 6.758 6.068 7.180 1.00 1.23 H new ATOM 0 HA3 GLY A 29 6.131 5.295 8.623 1.00 1.23 H new ATOM 405 N ALA A 30 5.025 7.844 7.166 1.00 1.00 N ATOM 406 CA ALA A 30 3.989 8.868 7.112 1.00 1.10 C ATOM 407 C ALA A 30 3.091 8.663 5.897 1.00 1.06 C ATOM 408 O ALA A 30 1.869 8.756 5.995 1.00 1.43 O ATOM 409 CB ALA A 30 4.627 10.254 7.059 1.00 1.27 C ATOM 0 H ALA A 30 5.419 7.595 6.259 1.00 1.00 H new ATOM 0 HA ALA A 30 3.378 8.788 8.011 1.00 1.10 H new ATOM 0 HB1 ALA A 30 3.846 11.013 7.019 1.00 1.27 H new ATOM 0 HB2 ALA A 30 5.237 10.408 7.949 1.00 1.27 H new ATOM 0 HB3 ALA A 30 5.254 10.332 6.171 1.00 1.27 H new ATOM 415 N ASN A 31 3.706 8.386 4.750 1.00 0.73 N ATOM 416 CA ASN A 31 2.965 8.169 3.512 1.00 0.69 C ATOM 417 C ASN A 31 1.831 7.175 3.727 1.00 0.60 C ATOM 418 O ASN A 31 0.733 7.347 3.198 1.00 0.58 O ATOM 419 CB ASN A 31 3.907 7.654 2.427 1.00 0.71 C ATOM 420 CG ASN A 31 3.246 7.761 1.059 1.00 1.24 C ATOM 421 OD1 ASN A 31 2.051 7.503 0.913 1.00 1.91 O ATOM 422 ND2 ASN A 31 4.024 8.143 0.053 1.00 1.42 N ATOM 0 H ASN A 31 4.718 8.307 4.653 1.00 0.73 H new ATOM 0 HA ASN A 31 2.535 9.120 3.197 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.833 8.229 2.437 1.00 0.71 H new ATOM 0 HB3 ASN A 31 4.174 6.617 2.630 1.00 0.71 H new ATOM 0 HD21 ASN A 31 3.636 8.233 -0.886 1.00 1.42 H new ATOM 0 HD22 ASN A 31 5.009 8.347 0.219 1.00 1.42 H new ATOM 429 N ILE A 32 2.103 6.133 4.506 1.00 0.58 N ATOM 430 CA ILE A 32 1.105 5.108 4.789 1.00 0.56 C ATOM 431 C ILE A 32 -0.189 5.743 5.286 1.00 0.52 C ATOM 432 O ILE A 32 -1.283 5.278 4.966 1.00 0.51 O ATOM 433 CB ILE A 32 1.639 4.135 5.833 1.00 0.63 C ATOM 434 CG1 ILE A 32 2.146 4.889 7.058 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.745 3.262 5.246 1.00 0.69 C ATOM 436 CD1 ILE A 32 2.586 3.930 8.160 1.00 1.07 C ATOM 0 H ILE A 32 3.007 5.976 4.953 1.00 0.58 H new ATOM 0 HA ILE A 32 0.895 4.566 3.867 1.00 0.56 H new ATOM 0 HB ILE A 32 0.820 3.485 6.142 1.00 0.63 H new ATOM 0 HG12 ILE A 32 2.983 5.527 6.774 1.00 0.70 H new ATOM 0 HG13 ILE A 32 1.360 5.543 7.435 1.00 0.70 H new ATOM 0 HG21 ILE A 32 3.111 2.576 6.010 1.00 0.69 H new ATOM 0 HG22 ILE A 32 2.351 2.692 4.405 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.565 3.894 4.904 1.00 0.69 H new ATOM 0 HD11 ILE A 32 2.942 4.500 9.018 1.00 1.07 H new ATOM 0 HD12 ILE A 32 1.742 3.310 8.461 1.00 1.07 H new ATOM 0 HD13 ILE A 32 3.390 3.294 7.789 1.00 1.07 H new ATOM 448 N ASN A 33 -0.056 6.808 6.071 1.00 0.56 N ATOM 449 CA ASN A 33 -1.215 7.508 6.616 1.00 0.59 C ATOM 450 C ASN A 33 -1.833 8.426 5.568 1.00 0.54 C ATOM 451 O ASN A 33 -3.049 8.610 5.532 1.00 0.55 O ATOM 452 CB ASN A 33 -0.804 8.321 7.840 1.00 0.71 C ATOM 453 CG ASN A 33 -1.857 8.199 8.933 1.00 0.97 C ATOM 454 OD1 ASN A 33 -2.289 7.097 9.273 1.00 1.51 O ATOM 455 ND2 ASN A 33 -2.271 9.333 9.487 1.00 1.62 N ATOM 0 H ASN A 33 0.843 7.205 6.344 1.00 0.56 H new ATOM 0 HA ASN A 33 -1.959 6.767 6.909 1.00 0.59 H new ATOM 0 HB2 ASN A 33 0.158 7.970 8.212 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.676 9.368 7.564 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -2.974 9.313 10.225 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -1.886 10.224 9.174 1.00 1.62 H new ATOM 462 N ARG A 34 -0.989 8.999 4.716 1.00 0.55 N ATOM 463 CA ARG A 34 -1.454 9.899 3.667 1.00 0.56 C ATOM 464 C ARG A 34 -2.546 9.231 2.840 1.00 0.48 C ATOM 465 O ARG A 34 -3.574 9.841 2.544 1.00 0.48 O ATOM 466 CB ARG A 34 -0.289 10.297 2.766 1.00 0.65 C ATOM 467 CG ARG A 34 -0.509 11.670 2.137 1.00 0.89 C ATOM 468 CD ARG A 34 0.307 12.748 2.846 1.00 1.22 C ATOM 469 NE ARG A 34 0.457 13.919 1.987 1.00 1.69 N ATOM 470 CZ ARG A 34 1.514 14.718 2.075 1.00 2.27 C ATOM 471 NH1 ARG A 34 2.180 14.816 3.219 1.00 2.90 N ATOM 472 NH2 ARG A 34 1.908 15.419 1.022 1.00 2.78 N ATOM 0 H ARG A 34 0.021 8.856 4.732 1.00 0.55 H new ATOM 0 HA ARG A 34 -1.866 10.794 4.133 1.00 0.56 H new ATOM 0 HB2 ARG A 34 0.634 10.305 3.346 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -0.165 9.552 1.980 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -0.232 11.637 1.083 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -1.568 11.926 2.181 1.00 0.89 H new ATOM 0 HD2 ARG A 34 -0.184 13.032 3.777 1.00 1.22 H new ATOM 0 HD3 ARG A 34 1.289 12.355 3.111 1.00 1.22 H new ATOM 0 HE ARG A 34 -0.269 14.129 1.302 1.00 1.69 H new ATOM 0 HH11 ARG A 34 1.880 14.277 4.032 1.00 2.90 H new ATOM 0 HH12 ARG A 34 2.992 15.430 3.286 1.00 2.90 H new ATOM 0 HH21 ARG A 34 1.399 15.346 0.141 1.00 2.78 H new ATOM 0 HH22 ARG A 34 2.720 16.032 1.092 1.00 2.78 H new ATOM 486 N ILE A 35 -2.315 7.976 2.467 1.00 0.45 N ATOM 487 CA ILE A 35 -3.276 7.222 1.672 1.00 0.40 C ATOM 488 C ILE A 35 -4.409 6.699 2.549 1.00 0.34 C ATOM 489 O ILE A 35 -5.569 7.063 2.363 1.00 0.34 O ATOM 490 CB ILE A 35 -2.576 6.055 0.981 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.314 6.533 0.269 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.516 5.362 0.000 1.00 0.40 C ATOM 493 CD1 ILE A 35 -1.616 7.666 -0.709 1.00 1.29 C ATOM 0 H ILE A 35 -1.468 7.459 2.704 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.699 7.887 0.919 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.288 5.331 1.744 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -0.586 6.872 1.006 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -0.860 5.700 -0.267 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -2.995 4.534 -0.480 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.385 4.982 0.536 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -3.841 6.075 -0.758 1.00 0.40 H new ATOM 0 HD11 ILE A 35 -0.694 7.981 -1.197 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -2.324 7.318 -1.461 1.00 1.29 H new ATOM 0 HD13 ILE A 35 -2.046 8.509 -0.168 1.00 1.29 H new ATOM 505 N LYS A 36 -4.063 5.840 3.505 1.00 0.35 N ATOM 506 CA LYS A 36 -5.042 5.252 4.423 1.00 0.36 C ATOM 507 C LYS A 36 -6.079 6.281 4.871 1.00 0.39 C ATOM 508 O LYS A 36 -7.227 5.936 5.147 1.00 0.51 O ATOM 509 CB LYS A 36 -4.322 4.683 5.644 1.00 0.44 C ATOM 510 CG LYS A 36 -5.305 4.120 6.668 1.00 1.09 C ATOM 511 CD LYS A 36 -5.093 4.735 8.048 1.00 1.41 C ATOM 512 CE LYS A 36 -4.834 3.666 9.106 1.00 2.17 C ATOM 513 NZ LYS A 36 -6.089 3.298 9.821 1.00 2.76 N ATOM 0 H LYS A 36 -3.104 5.532 3.667 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.565 4.455 3.894 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -3.636 3.897 5.328 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -3.720 5.464 6.108 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -6.326 4.311 6.337 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -5.187 3.038 6.729 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -4.250 5.425 8.014 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -5.971 5.318 8.326 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -4.408 2.780 8.635 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -4.098 4.031 9.823 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -5.882 2.570 10.534 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -6.481 4.140 10.290 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -6.781 2.928 9.139 1.00 2.76 H new ATOM 527 N ASP A 37 -5.666 7.542 4.946 1.00 0.40 N ATOM 528 CA ASP A 37 -6.559 8.616 5.368 1.00 0.45 C ATOM 529 C ASP A 37 -7.213 9.284 4.163 1.00 0.44 C ATOM 530 O ASP A 37 -8.369 9.703 4.226 1.00 0.60 O ATOM 531 CB ASP A 37 -5.780 9.653 6.172 1.00 0.51 C ATOM 532 CG ASP A 37 -6.733 10.662 6.798 1.00 0.82 C ATOM 533 OD1 ASP A 37 -7.384 11.414 6.044 1.00 1.37 O ATOM 534 OD2 ASP A 37 -6.827 10.698 8.043 1.00 1.56 O ATOM 0 H ASP A 37 -4.719 7.846 4.720 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.342 8.185 5.992 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.200 9.158 6.951 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -5.070 10.167 5.524 1.00 0.51 H new ATOM 539 N GLN A 38 -6.466 9.387 3.069 1.00 0.41 N ATOM 540 CA GLN A 38 -6.971 10.014 1.852 1.00 0.46 C ATOM 541 C GLN A 38 -7.934 9.085 1.120 1.00 0.42 C ATOM 542 O GLN A 38 -8.988 9.515 0.651 1.00 0.68 O ATOM 543 CB GLN A 38 -5.808 10.378 0.935 1.00 0.54 C ATOM 544 CG GLN A 38 -6.294 10.974 -0.384 1.00 0.65 C ATOM 545 CD GLN A 38 -7.118 12.229 -0.126 1.00 1.05 C ATOM 546 OE1 GLN A 38 -6.572 13.305 0.117 1.00 1.65 O ATOM 547 NE2 GLN A 38 -8.438 12.092 -0.180 1.00 1.66 N ATOM 0 H GLN A 38 -5.508 9.044 3.000 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.511 10.919 2.132 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -5.157 11.092 1.439 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.211 9.489 0.734 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -5.441 11.215 -1.018 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -6.894 10.241 -0.923 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -8.848 11.181 -0.385 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -9.041 12.898 -0.017 1.00 1.66 H new ATOM 556 N TYR A 39 -7.564 7.814 1.018 1.00 0.34 N ATOM 557 CA TYR A 39 -8.393 6.829 0.333 1.00 0.34 C ATOM 558 C TYR A 39 -9.153 5.945 1.322 1.00 0.30 C ATOM 559 O TYR A 39 -9.794 4.974 0.921 1.00 0.32 O ATOM 560 CB TYR A 39 -7.521 5.961 -0.571 1.00 0.39 C ATOM 561 CG TYR A 39 -6.855 6.742 -1.676 1.00 0.46 C ATOM 562 CD1 TYR A 39 -5.774 7.559 -1.397 1.00 0.53 C ATOM 563 CD2 TYR A 39 -7.324 6.646 -2.974 1.00 0.64 C ATOM 564 CE1 TYR A 39 -5.163 8.276 -2.412 1.00 0.62 C ATOM 565 CE2 TYR A 39 -6.714 7.362 -3.989 1.00 0.73 C ATOM 566 CZ TYR A 39 -5.637 8.173 -3.703 1.00 0.66 C ATOM 567 OH TYR A 39 -5.031 8.886 -4.713 1.00 0.77 O ATOM 0 H TYR A 39 -6.695 7.441 1.401 1.00 0.34 H new ATOM 0 HA TYR A 39 -9.127 7.368 -0.266 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -6.756 5.472 0.032 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -8.134 5.173 -1.009 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.406 7.638 -0.385 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -8.169 6.010 -3.196 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -4.319 8.913 -2.194 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -7.081 7.286 -5.002 1.00 0.73 H new ATOM 0 HH TYR A 39 -5.485 8.701 -5.562 1.00 0.77 H new ATOM 577 N LYS A 40 -9.085 6.278 2.614 1.00 0.28 N ATOM 578 CA LYS A 40 -9.777 5.501 3.644 1.00 0.31 C ATOM 579 C LYS A 40 -9.547 4.007 3.438 1.00 0.29 C ATOM 580 O LYS A 40 -10.494 3.220 3.419 1.00 0.39 O ATOM 581 CB LYS A 40 -11.273 5.805 3.608 1.00 0.38 C ATOM 582 CG LYS A 40 -11.569 7.231 4.062 1.00 0.86 C ATOM 583 CD LYS A 40 -12.962 7.682 3.630 1.00 1.29 C ATOM 584 CE LYS A 40 -13.482 8.816 4.509 1.00 1.88 C ATOM 585 NZ LYS A 40 -14.287 9.788 3.716 1.00 2.56 N ATOM 0 H LYS A 40 -8.560 7.077 2.970 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.375 5.783 4.617 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.650 5.660 2.596 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -11.803 5.101 4.250 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -11.487 7.292 5.147 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -10.822 7.908 3.647 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -12.933 8.010 2.591 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -13.650 6.838 3.679 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -14.092 8.405 5.313 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -12.643 9.331 4.977 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -14.627 10.548 4.340 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -13.696 10.196 2.964 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -15.100 9.299 3.290 1.00 2.56 H new ATOM 599 N VAL A 41 -8.286 3.627 3.276 1.00 0.23 N ATOM 600 CA VAL A 41 -7.925 2.231 3.060 1.00 0.23 C ATOM 601 C VAL A 41 -6.955 1.756 4.135 1.00 0.27 C ATOM 602 O VAL A 41 -6.693 2.470 5.101 1.00 0.33 O ATOM 603 CB VAL A 41 -7.297 2.081 1.679 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.370 2.136 0.596 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.244 3.161 1.449 1.00 0.23 C ATOM 0 H VAL A 41 -7.493 4.268 3.290 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.824 1.617 3.119 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.806 1.109 1.627 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -7.904 2.027 -0.383 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -9.084 1.327 0.750 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.889 3.093 0.647 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.807 3.038 0.458 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.709 4.144 1.521 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.462 3.074 2.204 1.00 0.23 H new ATOM 615 N SER A 42 -6.429 0.545 3.969 1.00 0.29 N ATOM 616 CA SER A 42 -5.494 -0.019 4.934 1.00 0.34 C ATOM 617 C SER A 42 -4.186 -0.415 4.259 1.00 0.30 C ATOM 618 O SER A 42 -3.935 -1.597 4.019 1.00 0.36 O ATOM 619 CB SER A 42 -6.117 -1.236 5.608 1.00 0.43 C ATOM 620 OG SER A 42 -5.532 -1.447 6.886 1.00 0.93 O ATOM 0 H SER A 42 -6.635 -0.062 3.176 1.00 0.29 H new ATOM 0 HA SER A 42 -5.276 0.741 5.685 1.00 0.34 H new ATOM 0 HB2 SER A 42 -7.192 -1.091 5.712 1.00 0.43 H new ATOM 0 HB3 SER A 42 -5.973 -2.119 4.985 1.00 0.43 H new ATOM 0 HG SER A 42 -5.942 -2.230 7.308 1.00 0.93 H new ATOM 626 N VAL A 43 -3.353 0.577 3.960 1.00 0.33 N ATOM 627 CA VAL A 43 -2.065 0.331 3.322 1.00 0.34 C ATOM 628 C VAL A 43 -1.008 0.037 4.378 1.00 0.35 C ATOM 629 O VAL A 43 -0.942 0.714 5.404 1.00 0.55 O ATOM 630 CB VAL A 43 -1.652 1.545 2.493 1.00 0.49 C ATOM 631 CG1 VAL A 43 -1.597 2.798 3.362 1.00 1.25 C ATOM 632 CG2 VAL A 43 -0.307 1.304 1.813 1.00 0.54 C ATOM 0 H VAL A 43 -3.548 1.560 4.150 1.00 0.33 H new ATOM 0 HA VAL A 43 -2.156 -0.532 2.663 1.00 0.34 H new ATOM 0 HB VAL A 43 -2.403 1.698 1.718 1.00 0.49 H new ATOM 0 HG11 VAL A 43 -1.301 3.651 2.752 1.00 1.25 H new ATOM 0 HG12 VAL A 43 -2.580 2.985 3.794 1.00 1.25 H new ATOM 0 HG13 VAL A 43 -0.871 2.654 4.162 1.00 1.25 H new ATOM 0 HG21 VAL A 43 -0.033 2.182 1.228 1.00 0.54 H new ATOM 0 HG22 VAL A 43 0.455 1.120 2.570 1.00 0.54 H new ATOM 0 HG23 VAL A 43 -0.382 0.438 1.155 1.00 0.54 H new ATOM 642 N ARG A 44 -0.189 -0.980 4.131 1.00 0.31 N ATOM 643 CA ARG A 44 0.855 -1.361 5.076 1.00 0.42 C ATOM 644 C ARG A 44 2.143 -1.734 4.351 1.00 0.40 C ATOM 645 O ARG A 44 2.120 -2.435 3.340 1.00 0.41 O ATOM 646 CB ARG A 44 0.382 -2.540 5.923 1.00 0.52 C ATOM 647 CG ARG A 44 -1.053 -2.346 6.405 1.00 0.78 C ATOM 648 CD ARG A 44 -1.604 -3.615 7.050 1.00 1.05 C ATOM 649 NE ARG A 44 -1.041 -3.790 8.385 1.00 1.31 N ATOM 650 CZ ARG A 44 -1.153 -4.939 9.045 1.00 1.74 C ATOM 651 NH1 ARG A 44 -2.057 -5.834 8.674 1.00 2.28 N ATOM 652 NH2 ARG A 44 -0.359 -5.192 10.077 1.00 2.27 N ATOM 0 H ARG A 44 -0.227 -1.553 3.288 1.00 0.31 H new ATOM 0 HA ARG A 44 1.059 -0.505 5.720 1.00 0.42 H new ATOM 0 HB2 ARG A 44 0.449 -3.458 5.339 1.00 0.52 H new ATOM 0 HB3 ARG A 44 1.042 -2.659 6.782 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -1.089 -1.527 7.123 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -1.685 -2.061 5.564 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -2.691 -3.558 7.111 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -1.364 -4.479 6.431 1.00 1.05 H new ATOM 0 HE ARG A 44 -0.549 -3.011 8.823 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -2.669 -5.642 7.881 1.00 2.28 H new ATOM 0 HH12 ARG A 44 -2.141 -6.715 9.182 1.00 2.28 H new ATOM 0 HH21 ARG A 44 0.338 -4.505 10.365 1.00 2.27 H new ATOM 0 HH22 ARG A 44 -0.445 -6.073 10.583 1.00 2.27 H new ATOM 666 N ILE A 45 3.266 -1.268 4.888 1.00 0.46 N ATOM 667 CA ILE A 45 4.575 -1.553 4.315 1.00 0.47 C ATOM 668 C ILE A 45 5.252 -2.670 5.116 1.00 0.53 C ATOM 669 O ILE A 45 5.761 -2.436 6.212 1.00 0.64 O ATOM 670 CB ILE A 45 5.426 -0.272 4.318 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.978 0.664 3.197 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.923 -0.566 4.187 1.00 0.60 C ATOM 673 CD1 ILE A 45 5.337 0.108 1.818 1.00 0.56 C ATOM 0 H ILE A 45 3.294 -0.687 5.726 1.00 0.46 H new ATOM 0 HA ILE A 45 4.466 -1.889 3.284 1.00 0.47 H new ATOM 0 HB ILE A 45 5.272 0.212 5.282 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.900 0.816 3.259 1.00 0.59 H new ATOM 0 HG13 ILE A 45 5.446 1.640 3.329 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.480 0.371 4.194 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.246 -1.187 5.023 1.00 0.60 H new ATOM 0 HG23 ILE A 45 7.110 -1.092 3.251 1.00 0.60 H new ATOM 0 HD11 ILE A 45 5.002 0.802 1.047 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.417 -0.019 1.747 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.848 -0.856 1.676 1.00 0.56 H new ATOM 685 N PRO A 46 5.266 -3.904 4.577 1.00 0.48 N ATOM 686 CA PRO A 46 5.886 -5.048 5.256 1.00 0.58 C ATOM 687 C PRO A 46 7.412 -4.967 5.231 1.00 0.61 C ATOM 688 O PRO A 46 8.027 -5.057 4.170 1.00 0.56 O ATOM 689 CB PRO A 46 5.379 -6.254 4.469 1.00 0.57 C ATOM 690 CG PRO A 46 5.050 -5.728 3.112 1.00 0.47 C ATOM 691 CD PRO A 46 4.686 -4.276 3.275 1.00 0.41 C ATOM 0 HA PRO A 46 5.627 -5.093 6.314 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.137 -7.035 4.415 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.502 -6.693 4.944 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.901 -5.838 2.440 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.222 -6.285 2.673 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.096 -3.669 2.468 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.606 -4.132 3.264 1.00 0.41 H new ATOM 699 N PRO A 47 8.046 -4.794 6.406 1.00 0.74 N ATOM 700 CA PRO A 47 9.510 -4.700 6.502 1.00 0.81 C ATOM 701 C PRO A 47 10.188 -6.041 6.243 1.00 0.87 C ATOM 702 O PRO A 47 10.807 -6.619 7.138 1.00 1.53 O ATOM 703 CB PRO A 47 9.748 -4.220 7.932 1.00 0.98 C ATOM 704 CG PRO A 47 8.544 -4.655 8.695 1.00 1.03 C ATOM 705 CD PRO A 47 7.395 -4.676 7.722 1.00 0.85 C ATOM 0 HA PRO A 47 9.932 -4.029 5.754 1.00 0.81 H new ATOM 0 HB2 PRO A 47 10.656 -4.656 8.348 1.00 0.98 H new ATOM 0 HB3 PRO A 47 9.868 -3.137 7.969 1.00 0.98 H new ATOM 0 HG2 PRO A 47 8.699 -5.642 9.131 1.00 1.03 H new ATOM 0 HG3 PRO A 47 8.340 -3.971 9.519 1.00 1.03 H new ATOM 0 HD2 PRO A 47 6.725 -5.515 7.913 1.00 0.85 H new ATOM 0 HD3 PRO A 47 6.796 -3.768 7.791 1.00 0.85 H new ATOM 713 N ASP A 48 10.069 -6.528 5.013 1.00 1.32 N ATOM 714 CA ASP A 48 10.670 -7.799 4.628 1.00 1.46 C ATOM 715 C ASP A 48 11.238 -7.712 3.216 1.00 1.48 C ATOM 716 O ASP A 48 11.078 -6.700 2.536 1.00 2.18 O ATOM 717 CB ASP A 48 9.628 -8.912 4.700 1.00 2.16 C ATOM 718 CG ASP A 48 8.456 -8.601 3.780 1.00 2.56 C ATOM 719 OD1 ASP A 48 8.261 -7.414 3.444 1.00 3.01 O ATOM 720 OD2 ASP A 48 7.735 -9.546 3.396 1.00 3.03 O ATOM 0 H ASP A 48 9.560 -6.060 4.263 1.00 1.32 H new ATOM 0 HA ASP A 48 11.482 -8.024 5.319 1.00 1.46 H new ATOM 0 HB2 ASP A 48 10.081 -9.862 4.415 1.00 2.16 H new ATOM 0 HB3 ASP A 48 9.275 -9.022 5.725 1.00 2.16 H new ATOM 725 N SER A 49 11.901 -8.778 2.782 1.00 1.59 N ATOM 726 CA SER A 49 12.493 -8.819 1.450 1.00 2.11 C ATOM 727 C SER A 49 12.698 -10.260 1.001 1.00 1.90 C ATOM 728 O SER A 49 13.828 -10.698 0.783 1.00 2.33 O ATOM 729 CB SER A 49 13.828 -8.079 1.448 1.00 3.03 C ATOM 730 OG SER A 49 14.167 -7.666 0.135 1.00 3.81 O ATOM 0 H SER A 49 12.042 -9.625 3.333 1.00 1.59 H new ATOM 0 HA SER A 49 11.812 -8.330 0.753 1.00 2.11 H new ATOM 0 HB2 SER A 49 13.770 -7.211 2.105 1.00 3.03 H new ATOM 0 HB3 SER A 49 14.610 -8.727 1.845 1.00 3.03 H new ATOM 0 HG SER A 49 15.025 -7.192 0.152 1.00 3.81 H new ATOM 736 N GLU A 50 11.599 -10.994 0.866 1.00 1.92 N ATOM 737 CA GLU A 50 11.654 -12.388 0.443 1.00 2.27 C ATOM 738 C GLU A 50 11.552 -12.491 -1.073 1.00 2.09 C ATOM 739 O GLU A 50 10.461 -12.643 -1.620 1.00 2.74 O ATOM 740 CB GLU A 50 10.519 -13.174 1.092 1.00 3.06 C ATOM 741 CG GLU A 50 9.160 -12.536 0.817 1.00 3.83 C ATOM 742 CD GLU A 50 8.252 -13.516 0.086 1.00 4.43 C ATOM 743 OE1 GLU A 50 7.779 -14.479 0.725 1.00 4.75 O ATOM 744 OE2 GLU A 50 8.017 -13.318 -1.124 1.00 4.97 O ATOM 0 H GLU A 50 10.657 -10.645 1.044 1.00 1.92 H new ATOM 0 HA GLU A 50 12.609 -12.808 0.758 1.00 2.27 H new ATOM 0 HB2 GLU A 50 10.523 -14.197 0.716 1.00 3.06 H new ATOM 0 HB3 GLU A 50 10.684 -13.229 2.168 1.00 3.06 H new ATOM 0 HG2 GLU A 50 8.697 -12.232 1.756 1.00 3.83 H new ATOM 0 HG3 GLU A 50 9.289 -11.634 0.219 1.00 3.83 H new ATOM 751 N LYS A 51 12.698 -12.403 -1.744 1.00 1.76 N ATOM 752 CA LYS A 51 12.750 -12.483 -3.202 1.00 1.77 C ATOM 753 C LYS A 51 12.022 -11.302 -3.829 1.00 1.55 C ATOM 754 O LYS A 51 12.648 -10.392 -4.372 1.00 2.20 O ATOM 755 CB LYS A 51 12.130 -13.794 -3.682 1.00 2.14 C ATOM 756 CG LYS A 51 12.964 -15.000 -3.258 1.00 2.60 C ATOM 757 CD LYS A 51 12.698 -16.209 -4.150 1.00 3.36 C ATOM 758 CE LYS A 51 13.962 -17.036 -4.367 1.00 4.12 C ATOM 759 NZ LYS A 51 14.505 -17.542 -3.076 1.00 4.81 N ATOM 0 H LYS A 51 13.607 -12.276 -1.299 1.00 1.76 H new ATOM 0 HA LYS A 51 13.795 -12.451 -3.511 1.00 1.77 H new ATOM 0 HB2 LYS A 51 11.122 -13.889 -3.279 1.00 2.14 H new ATOM 0 HB3 LYS A 51 12.039 -13.778 -4.768 1.00 2.14 H new ATOM 0 HG2 LYS A 51 14.023 -14.743 -3.298 1.00 2.60 H new ATOM 0 HG3 LYS A 51 12.737 -15.254 -2.223 1.00 2.60 H new ATOM 0 HD2 LYS A 51 11.927 -16.833 -3.698 1.00 3.36 H new ATOM 0 HD3 LYS A 51 12.312 -15.874 -5.113 1.00 3.36 H new ATOM 0 HE2 LYS A 51 13.741 -17.876 -5.025 1.00 4.12 H new ATOM 0 HE3 LYS A 51 14.716 -16.428 -4.868 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 15.258 -18.234 -3.264 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 14.893 -16.748 -2.528 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 13.743 -17.997 -2.534 1.00 4.81 H new ATOM 773 N SER A 52 10.696 -11.319 -3.750 1.00 1.19 N ATOM 774 CA SER A 52 9.880 -10.247 -4.308 1.00 1.04 C ATOM 775 C SER A 52 9.047 -9.586 -3.217 1.00 0.92 C ATOM 776 O SER A 52 8.411 -10.265 -2.411 1.00 1.19 O ATOM 777 CB SER A 52 8.964 -10.803 -5.395 1.00 1.25 C ATOM 778 OG SER A 52 9.706 -11.566 -6.333 1.00 2.03 O ATOM 0 H SER A 52 10.162 -12.065 -3.304 1.00 1.19 H new ATOM 0 HA SER A 52 10.541 -9.498 -4.743 1.00 1.04 H new ATOM 0 HB2 SER A 52 8.191 -11.425 -4.943 1.00 1.25 H new ATOM 0 HB3 SER A 52 8.457 -9.984 -5.905 1.00 1.25 H new ATOM 0 HG SER A 52 9.102 -11.916 -7.021 1.00 2.03 H new ATOM 784 N ASN A 53 9.052 -8.257 -3.198 1.00 0.68 N ATOM 785 CA ASN A 53 8.297 -7.500 -2.210 1.00 0.61 C ATOM 786 C ASN A 53 6.841 -7.387 -2.635 1.00 0.59 C ATOM 787 O ASN A 53 6.521 -7.459 -3.821 1.00 0.99 O ATOM 788 CB ASN A 53 8.900 -6.109 -2.045 1.00 0.60 C ATOM 789 CG ASN A 53 9.066 -5.776 -0.568 1.00 0.89 C ATOM 790 OD1 ASN A 53 8.341 -6.295 0.282 1.00 1.68 O ATOM 791 ND2 ASN A 53 10.022 -4.908 -0.259 1.00 1.28 N ATOM 0 H ASN A 53 9.573 -7.681 -3.859 1.00 0.68 H new ATOM 0 HA ASN A 53 8.346 -8.024 -1.255 1.00 0.61 H new ATOM 0 HB2 ASN A 53 9.867 -6.063 -2.546 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.258 -5.368 -2.522 1.00 0.60 H new ATOM 0 HD21 ASN A 53 10.179 -4.647 0.715 1.00 1.28 H new ATOM 0 HD22 ASN A 53 10.600 -4.502 -0.995 1.00 1.28 H new ATOM 798 N LEU A 54 5.962 -7.213 -1.658 1.00 0.55 N ATOM 799 CA LEU A 54 4.534 -7.092 -1.923 1.00 0.51 C ATOM 800 C LEU A 54 3.850 -6.271 -0.836 1.00 0.44 C ATOM 801 O LEU A 54 3.546 -6.786 0.241 1.00 0.57 O ATOM 802 CB LEU A 54 3.900 -8.478 -1.994 1.00 0.65 C ATOM 803 CG LEU A 54 3.889 -9.024 -3.419 1.00 0.82 C ATOM 804 CD1 LEU A 54 3.522 -10.505 -3.426 1.00 1.49 C ATOM 805 CD2 LEU A 54 2.927 -8.228 -4.296 1.00 1.49 C ATOM 0 H LEU A 54 6.213 -7.152 -0.671 1.00 0.55 H new ATOM 0 HA LEU A 54 4.404 -6.582 -2.878 1.00 0.51 H new ATOM 0 HB2 LEU A 54 4.449 -9.162 -1.347 1.00 0.65 H new ATOM 0 HB3 LEU A 54 2.879 -8.431 -1.615 1.00 0.65 H new ATOM 0 HG LEU A 54 4.893 -8.918 -3.831 1.00 0.82 H new ATOM 0 HD11 LEU A 54 3.520 -10.874 -4.451 1.00 1.49 H new ATOM 0 HD12 LEU A 54 4.252 -11.064 -2.841 1.00 1.49 H new ATOM 0 HD13 LEU A 54 2.531 -10.636 -2.991 1.00 1.49 H new ATOM 0 HD21 LEU A 54 2.935 -8.635 -5.307 1.00 1.49 H new ATOM 0 HD22 LEU A 54 1.919 -8.296 -3.886 1.00 1.49 H new ATOM 0 HD23 LEU A 54 3.238 -7.184 -4.322 1.00 1.49 H new ATOM 817 N ILE A 55 3.605 -4.997 -1.122 1.00 0.31 N ATOM 818 CA ILE A 55 2.950 -4.113 -0.164 1.00 0.26 C ATOM 819 C ILE A 55 1.498 -4.531 0.028 1.00 0.27 C ATOM 820 O ILE A 55 0.812 -4.882 -0.933 1.00 0.34 O ATOM 821 CB ILE A 55 3.020 -2.669 -0.648 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.464 -2.279 -0.952 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.415 -1.724 0.385 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.583 -0.809 -1.347 1.00 0.35 C ATOM 0 H ILE A 55 3.849 -4.554 -2.008 1.00 0.31 H new ATOM 0 HA ILE A 55 3.467 -4.188 0.793 1.00 0.26 H new ATOM 0 HB ILE A 55 2.439 -2.586 -1.566 1.00 0.27 H new ATOM 0 HG12 ILE A 55 5.084 -2.472 -0.077 1.00 0.31 H new ATOM 0 HG13 ILE A 55 4.847 -2.904 -1.758 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.475 -0.699 0.020 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.371 -1.989 0.553 1.00 0.31 H new ATOM 0 HG23 ILE A 55 2.966 -1.808 1.322 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.626 -0.572 -1.555 1.00 0.35 H new ATOM 0 HD12 ILE A 55 3.983 -0.622 -2.238 1.00 0.35 H new ATOM 0 HD13 ILE A 55 4.224 -0.183 -0.530 1.00 0.35 H new ATOM 836 N ARG A 56 1.036 -4.502 1.273 1.00 0.29 N ATOM 837 CA ARG A 56 -0.334 -4.891 1.591 1.00 0.32 C ATOM 838 C ARG A 56 -1.289 -3.713 1.443 1.00 0.29 C ATOM 839 O ARG A 56 -1.000 -2.603 1.890 1.00 0.42 O ATOM 840 CB ARG A 56 -0.402 -5.435 3.014 1.00 0.42 C ATOM 841 CG ARG A 56 0.186 -6.840 3.105 1.00 0.55 C ATOM 842 CD ARG A 56 1.225 -6.942 4.217 1.00 0.84 C ATOM 843 NE ARG A 56 0.655 -6.508 5.487 1.00 1.44 N ATOM 844 CZ ARG A 56 0.317 -7.375 6.433 1.00 1.77 C ATOM 845 NH1 ARG A 56 -0.645 -8.260 6.212 1.00 2.33 N ATOM 846 NH2 ARG A 56 0.941 -7.360 7.604 1.00 2.19 N ATOM 0 H ARG A 56 1.590 -4.213 2.079 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.638 -5.667 0.889 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.140 -4.769 3.685 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.439 -5.451 3.349 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.613 -7.559 3.286 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.644 -7.106 2.152 1.00 0.55 H new ATOM 0 HD2 ARG A 56 1.577 -7.970 4.301 1.00 0.84 H new ATOM 0 HD3 ARG A 56 2.091 -6.328 3.971 1.00 0.84 H new ATOM 0 HE ARG A 56 0.512 -5.512 5.653 1.00 1.44 H new ATOM 0 HH11 ARG A 56 -1.127 -8.275 5.313 1.00 2.33 H new ATOM 0 HH12 ARG A 56 -0.903 -8.925 6.941 1.00 2.33 H new ATOM 0 HH21 ARG A 56 1.682 -6.681 7.778 1.00 2.19 H new ATOM 0 HH22 ARG A 56 0.680 -8.027 8.330 1.00 2.19 H new ATOM 860 N ILE A 57 -2.433 -3.970 0.818 1.00 0.24 N ATOM 861 CA ILE A 57 -3.453 -2.947 0.612 1.00 0.24 C ATOM 862 C ILE A 57 -4.838 -3.567 0.734 1.00 0.26 C ATOM 863 O ILE A 57 -5.214 -4.425 -0.062 1.00 0.40 O ATOM 864 CB ILE A 57 -3.289 -2.309 -0.763 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.838 -1.899 -0.996 1.00 0.28 C ATOM 866 CG2 ILE A 57 -4.218 -1.110 -0.910 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.408 -0.789 -0.042 1.00 1.32 C ATOM 0 H ILE A 57 -2.679 -4.886 0.442 1.00 0.24 H new ATOM 0 HA ILE A 57 -3.338 -2.175 1.373 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.560 -3.047 -1.519 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.189 -2.765 -0.864 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.715 -1.563 -2.025 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -4.087 -0.667 -1.897 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -5.252 -1.434 -0.792 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.980 -0.370 -0.146 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.369 -0.523 -0.238 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -2.041 0.086 -0.193 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -1.506 -1.135 0.987 1.00 1.32 H new ATOM 879 N GLU A 58 -5.592 -3.138 1.740 1.00 0.23 N ATOM 880 CA GLU A 58 -6.932 -3.671 1.965 1.00 0.25 C ATOM 881 C GLU A 58 -7.868 -2.593 2.490 1.00 0.24 C ATOM 882 O GLU A 58 -7.510 -1.813 3.370 1.00 0.26 O ATOM 883 CB GLU A 58 -6.862 -4.830 2.959 1.00 0.32 C ATOM 884 CG GLU A 58 -8.244 -5.390 3.293 1.00 0.37 C ATOM 885 CD GLU A 58 -8.313 -5.778 4.765 1.00 0.82 C ATOM 886 OE1 GLU A 58 -7.562 -6.686 5.176 1.00 1.56 O ATOM 887 OE2 GLU A 58 -9.118 -5.172 5.503 1.00 1.47 O ATOM 0 H GLU A 58 -5.301 -2.426 2.410 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.326 -4.028 1.014 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -6.241 -5.624 2.545 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.378 -4.492 3.875 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -9.009 -4.647 3.069 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.452 -6.260 2.670 1.00 0.37 H new ATOM 894 N GLY A 59 -9.076 -2.572 1.943 1.00 0.25 N ATOM 895 CA GLY A 59 -10.094 -1.611 2.340 1.00 0.27 C ATOM 896 C GLY A 59 -11.475 -2.174 2.050 1.00 0.39 C ATOM 897 O GLY A 59 -11.882 -3.173 2.644 1.00 0.59 O ATOM 0 H GLY A 59 -9.376 -3.219 1.214 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.999 -1.385 3.402 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.953 -0.674 1.801 1.00 0.27 H new ATOM 901 N ASP A 60 -12.191 -1.548 1.124 1.00 0.53 N ATOM 902 CA ASP A 60 -13.521 -2.022 0.764 1.00 0.70 C ATOM 903 C ASP A 60 -14.047 -1.329 -0.486 1.00 0.59 C ATOM 904 O ASP A 60 -14.261 -1.969 -1.515 1.00 1.04 O ATOM 905 CB ASP A 60 -14.489 -1.805 1.923 1.00 1.22 C ATOM 906 CG ASP A 60 -14.941 -3.141 2.495 1.00 1.93 C ATOM 907 OD1 ASP A 60 -15.489 -3.963 1.729 1.00 2.66 O ATOM 908 OD2 ASP A 60 -14.747 -3.367 3.708 1.00 2.31 O ATOM 0 H ASP A 60 -11.878 -0.722 0.615 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.443 -3.088 0.549 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -14.007 -1.213 2.701 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -15.354 -1.237 1.581 1.00 1.22 H new ATOM 913 N PRO A 61 -14.277 -0.009 -0.415 1.00 0.72 N ATOM 914 CA PRO A 61 -14.794 0.751 -1.558 1.00 1.14 C ATOM 915 C PRO A 61 -13.746 0.924 -2.648 1.00 0.88 C ATOM 916 O PRO A 61 -12.708 0.261 -2.635 1.00 1.22 O ATOM 917 CB PRO A 61 -15.191 2.092 -0.945 1.00 1.82 C ATOM 918 CG PRO A 61 -14.338 2.232 0.271 1.00 1.82 C ATOM 919 CD PRO A 61 -14.059 0.841 0.770 1.00 1.17 C ATOM 0 HA PRO A 61 -15.625 0.247 -2.052 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -15.019 2.911 -1.643 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.250 2.110 -0.688 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -13.409 2.751 0.034 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -14.847 2.821 1.034 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -13.040 0.748 1.147 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -14.727 0.568 1.587 1.00 1.17 H new ATOM 927 N GLN A 62 -14.020 1.822 -3.587 1.00 0.64 N ATOM 928 CA GLN A 62 -13.097 2.089 -4.683 1.00 0.47 C ATOM 929 C GLN A 62 -11.771 2.639 -4.160 1.00 0.41 C ATOM 930 O GLN A 62 -10.782 2.686 -4.888 1.00 0.47 O ATOM 931 CB GLN A 62 -13.720 3.085 -5.657 1.00 0.69 C ATOM 932 CG GLN A 62 -15.016 2.548 -6.259 1.00 0.85 C ATOM 933 CD GLN A 62 -16.132 3.574 -6.113 1.00 1.34 C ATOM 934 OE1 GLN A 62 -16.182 4.319 -5.133 1.00 2.14 O ATOM 935 NE2 GLN A 62 -17.032 3.612 -7.090 1.00 1.73 N ATOM 0 H GLN A 62 -14.875 2.378 -3.611 1.00 0.64 H new ATOM 0 HA GLN A 62 -12.900 1.150 -5.200 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -13.920 4.024 -5.140 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -13.011 3.306 -6.455 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -14.865 2.312 -7.312 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -15.299 1.620 -5.762 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -16.951 2.976 -7.883 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -17.804 4.277 -7.047 1.00 1.73 H new ATOM 944 N GLY A 63 -11.755 3.066 -2.898 1.00 0.37 N ATOM 945 CA GLY A 63 -10.552 3.620 -2.292 1.00 0.34 C ATOM 946 C GLY A 63 -9.420 2.598 -2.243 1.00 0.27 C ATOM 947 O GLY A 63 -8.256 2.950 -2.431 1.00 0.29 O ATOM 0 H GLY A 63 -12.564 3.037 -2.277 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.229 4.493 -2.858 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.778 3.961 -1.282 1.00 0.34 H new ATOM 951 N VAL A 64 -9.753 1.335 -1.976 1.00 0.24 N ATOM 952 CA VAL A 64 -8.735 0.291 -1.893 1.00 0.21 C ATOM 953 C VAL A 64 -8.189 -0.058 -3.276 1.00 0.24 C ATOM 954 O VAL A 64 -6.977 -0.162 -3.461 1.00 0.28 O ATOM 955 CB VAL A 64 -9.284 -0.958 -1.177 1.00 0.24 C ATOM 956 CG1 VAL A 64 -10.071 -1.877 -2.112 1.00 0.30 C ATOM 957 CG2 VAL A 64 -8.138 -1.725 -0.528 1.00 0.26 C ATOM 0 H VAL A 64 -10.708 1.014 -1.815 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.906 0.677 -1.300 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.981 -0.613 -0.413 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.434 -2.740 -1.554 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.918 -1.333 -2.529 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.423 -2.214 -2.921 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.531 -2.607 -0.023 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.426 -2.032 -1.294 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.636 -1.085 0.198 1.00 0.26 H new ATOM 967 N GLN A 65 -9.082 -0.245 -4.242 1.00 0.25 N ATOM 968 CA GLN A 65 -8.674 -0.588 -5.599 1.00 0.30 C ATOM 969 C GLN A 65 -8.030 0.612 -6.284 1.00 0.30 C ATOM 970 O GLN A 65 -7.159 0.456 -7.142 1.00 0.34 O ATOM 971 CB GLN A 65 -9.877 -1.075 -6.406 1.00 0.37 C ATOM 972 CG GLN A 65 -10.896 0.036 -6.635 1.00 0.42 C ATOM 973 CD GLN A 65 -11.095 0.277 -8.126 1.00 0.78 C ATOM 974 OE1 GLN A 65 -10.750 -0.566 -8.954 1.00 1.56 O ATOM 975 NE2 GLN A 65 -11.654 1.432 -8.468 1.00 0.82 N ATOM 0 H GLN A 65 -10.090 -0.165 -4.111 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.939 -1.391 -5.546 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.537 -1.460 -7.368 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -10.354 -1.903 -5.882 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.846 -0.233 -6.174 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.557 0.954 -6.154 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -11.924 2.101 -7.747 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -11.813 1.650 -9.452 1.00 0.82 H new ATOM 984 N GLN A 66 -8.453 1.810 -5.894 1.00 0.29 N ATOM 985 CA GLN A 66 -7.913 3.037 -6.465 1.00 0.31 C ATOM 986 C GLN A 66 -6.537 3.327 -5.882 1.00 0.29 C ATOM 987 O GLN A 66 -5.559 3.467 -6.615 1.00 0.36 O ATOM 988 CB GLN A 66 -8.852 4.205 -6.184 1.00 0.35 C ATOM 989 CG GLN A 66 -8.455 5.448 -6.974 1.00 0.79 C ATOM 990 CD GLN A 66 -9.662 6.019 -7.706 1.00 1.10 C ATOM 991 OE1 GLN A 66 -10.091 7.141 -7.438 1.00 2.03 O ATOM 992 NE2 GLN A 66 -10.214 5.242 -8.632 1.00 1.31 N ATOM 0 H GLN A 66 -9.170 1.957 -5.183 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.820 2.908 -7.543 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.873 3.921 -6.440 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.842 4.432 -5.118 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -8.042 6.198 -6.300 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -7.672 5.197 -7.690 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -9.825 4.318 -8.821 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -11.027 5.569 -9.154 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.468 3.412 -4.557 1.00 0.26 N ATOM 1002 CA ALA A 67 -5.210 3.680 -3.874 1.00 0.27 C ATOM 1003 C ALA A 67 -4.196 2.589 -4.197 1.00 0.26 C ATOM 1004 O ALA A 67 -2.989 2.830 -4.196 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.435 3.751 -2.367 1.00 0.29 C ATOM 0 H ALA A 67 -7.269 3.299 -3.936 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.821 4.638 -4.219 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.488 3.952 -1.867 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -6.141 4.550 -2.142 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.838 2.802 -2.014 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.696 1.390 -4.481 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.835 0.262 -4.814 1.00 0.28 C ATOM 1013 C LYS A 68 -3.158 0.500 -6.156 1.00 0.31 C ATOM 1014 O LYS A 68 -1.941 0.364 -6.283 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.650 -1.025 -4.865 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.777 -2.221 -5.226 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.162 -2.813 -6.579 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.004 -3.587 -7.204 1.00 0.57 C ATOM 1019 NZ LYS A 68 -3.384 -4.157 -8.526 1.00 0.88 N ATOM 0 H LYS A 68 -5.693 1.175 -4.487 1.00 0.25 H new ATOM 0 HA LYS A 68 -3.071 0.166 -4.043 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -5.123 -1.196 -3.898 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.450 -0.922 -5.598 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.731 -1.915 -5.247 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.870 -2.985 -4.455 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -5.019 -3.475 -6.456 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -4.471 -2.013 -7.252 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.145 -2.926 -7.324 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -2.697 -4.390 -6.534 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -2.576 -4.677 -8.925 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -4.188 -4.805 -8.406 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -3.653 -3.387 -9.171 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.955 0.862 -7.157 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.436 1.128 -8.493 1.00 0.43 C ATOM 1035 C ARG A 69 -2.667 2.443 -8.512 1.00 0.42 C ATOM 1036 O ARG A 69 -1.770 2.639 -9.333 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.583 1.183 -9.497 1.00 0.50 C ATOM 1038 CG ARG A 69 -4.320 0.285 -10.701 1.00 1.02 C ATOM 1039 CD ARG A 69 -4.994 0.823 -11.961 1.00 1.36 C ATOM 1040 NE ARG A 69 -5.167 -0.244 -12.939 1.00 1.81 N ATOM 1041 CZ ARG A 69 -6.277 -0.974 -12.988 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -7.459 -0.381 -13.076 1.00 2.76 N ATOM 1043 NH2 ARG A 69 -6.205 -2.297 -12.948 1.00 2.98 N ATOM 0 H ARG A 69 -4.964 0.978 -7.067 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.757 0.321 -8.770 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -5.509 0.877 -9.010 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -4.724 2.210 -9.833 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -3.246 0.205 -10.868 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -4.686 -0.720 -10.493 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -5.963 1.253 -11.708 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -4.392 1.624 -12.390 1.00 1.36 H new ATOM 0 HE ARG A 69 -4.417 -0.436 -13.603 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -7.518 0.637 -13.106 1.00 2.76 H new ATOM 0 HH12 ARG A 69 -8.310 -0.942 -13.114 1.00 2.76 H new ATOM 0 HH21 ARG A 69 -5.297 -2.756 -12.879 1.00 2.98 H new ATOM 0 HH22 ARG A 69 -7.058 -2.856 -12.986 1.00 2.98 H new ATOM 1057 N GLU A 70 -3.024 3.344 -7.600 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.371 4.645 -7.509 1.00 0.43 C ATOM 1059 C GLU A 70 -0.933 4.491 -7.029 1.00 0.44 C ATOM 1060 O GLU A 70 -0.001 4.995 -7.656 1.00 0.56 O ATOM 1061 CB GLU A 70 -3.143 5.545 -6.548 1.00 0.44 C ATOM 1062 CG GLU A 70 -3.339 6.946 -7.122 1.00 0.59 C ATOM 1063 CD GLU A 70 -4.635 7.014 -7.919 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -5.689 6.623 -7.375 1.00 1.50 O ATOM 1065 OE2 GLU A 70 -4.594 7.458 -9.085 1.00 1.38 O ATOM 0 H GLU A 70 -3.763 3.196 -6.913 1.00 0.40 H new ATOM 0 HA GLU A 70 -2.360 5.098 -8.500 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -4.115 5.100 -6.334 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -2.607 5.611 -5.601 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -3.362 7.677 -6.314 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -2.496 7.205 -7.763 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.759 3.794 -5.911 1.00 0.40 N ATOM 1073 CA LEU A 71 0.566 3.574 -5.342 1.00 0.47 C ATOM 1074 C LEU A 71 1.446 2.797 -6.313 1.00 0.52 C ATOM 1075 O LEU A 71 2.597 3.163 -6.552 1.00 0.60 O ATOM 1076 CB LEU A 71 0.450 2.809 -4.028 1.00 0.51 C ATOM 1077 CG LEU A 71 -0.078 3.695 -2.904 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -1.039 2.918 -2.009 1.00 1.08 C ATOM 1079 CD2 LEU A 71 1.075 4.270 -2.086 1.00 1.15 C ATOM 0 H LEU A 71 -1.520 3.371 -5.380 1.00 0.40 H new ATOM 0 HA LEU A 71 1.025 4.545 -5.155 1.00 0.47 H new ATOM 0 HB2 LEU A 71 -0.215 1.955 -4.161 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.427 2.412 -3.750 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.626 4.524 -3.352 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -1.403 3.569 -1.214 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.882 2.563 -2.602 1.00 1.08 H new ATOM 0 HD13 LEU A 71 -0.519 2.066 -1.570 1.00 1.08 H new ATOM 0 HD21 LEU A 71 0.678 4.899 -1.289 1.00 1.15 H new ATOM 0 HD22 LEU A 71 1.654 3.455 -1.651 1.00 1.15 H new ATOM 0 HD23 LEU A 71 1.718 4.867 -2.733 1.00 1.15 H new ATOM 1091 N LEU A 72 0.900 1.721 -6.867 1.00 0.52 N ATOM 1092 CA LEU A 72 1.636 0.885 -7.809 1.00 0.63 C ATOM 1093 C LEU A 72 2.029 1.681 -9.048 1.00 0.67 C ATOM 1094 O LEU A 72 3.079 1.439 -9.644 1.00 0.83 O ATOM 1095 CB LEU A 72 0.785 -0.315 -8.216 1.00 0.66 C ATOM 1096 CG LEU A 72 1.647 -1.490 -8.673 1.00 0.88 C ATOM 1097 CD1 LEU A 72 0.793 -2.736 -8.886 1.00 1.04 C ATOM 1098 CD2 LEU A 72 2.410 -1.137 -9.946 1.00 1.99 C ATOM 0 H LEU A 72 -0.052 1.406 -6.680 1.00 0.52 H new ATOM 0 HA LEU A 72 2.545 0.536 -7.319 1.00 0.63 H new ATOM 0 HB2 LEU A 72 0.165 -0.624 -7.374 1.00 0.66 H new ATOM 0 HB3 LEU A 72 0.109 -0.025 -9.020 1.00 0.66 H new ATOM 0 HG LEU A 72 2.373 -1.704 -7.888 1.00 0.88 H new ATOM 0 HD11 LEU A 72 1.427 -3.561 -9.211 1.00 1.04 H new ATOM 0 HD12 LEU A 72 0.301 -3.004 -7.951 1.00 1.04 H new ATOM 0 HD13 LEU A 72 0.040 -2.535 -9.648 1.00 1.04 H new ATOM 0 HD21 LEU A 72 3.018 -1.988 -10.254 1.00 1.99 H new ATOM 0 HD22 LEU A 72 1.703 -0.891 -10.738 1.00 1.99 H new ATOM 0 HD23 LEU A 72 3.056 -0.280 -9.757 1.00 1.99 H new ATOM 1110 N GLU A 73 1.178 2.625 -9.436 1.00 0.64 N ATOM 1111 CA GLU A 73 1.436 3.450 -10.611 1.00 0.74 C ATOM 1112 C GLU A 73 2.239 4.691 -10.240 1.00 0.71 C ATOM 1113 O GLU A 73 3.458 4.726 -10.407 1.00 0.88 O ATOM 1114 CB GLU A 73 0.116 3.863 -11.257 1.00 0.82 C ATOM 1115 CG GLU A 73 -0.499 2.722 -12.063 1.00 1.00 C ATOM 1116 CD GLU A 73 -1.472 3.273 -13.097 1.00 1.41 C ATOM 1117 OE1 GLU A 73 -1.260 4.411 -13.568 1.00 2.05 O ATOM 1118 OE2 GLU A 73 -2.446 2.566 -13.434 1.00 2.01 O ATOM 0 H GLU A 73 0.304 2.838 -8.955 1.00 0.64 H new ATOM 0 HA GLU A 73 2.019 2.862 -11.320 1.00 0.74 H new ATOM 0 HB2 GLU A 73 -0.584 4.181 -10.484 1.00 0.82 H new ATOM 0 HB3 GLU A 73 0.282 4.721 -11.909 1.00 0.82 H new ATOM 0 HG2 GLU A 73 0.287 2.153 -12.560 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -1.018 2.034 -11.395 1.00 1.00 H new ATOM 1125 N LEU A 74 1.547 5.713 -9.743 1.00 0.64 N ATOM 1126 CA LEU A 74 2.196 6.962 -9.358 1.00 0.71 C ATOM 1127 C LEU A 74 3.112 6.752 -8.159 1.00 0.82 C ATOM 1128 O LEU A 74 4.193 7.337 -8.085 1.00 1.13 O ATOM 1129 CB LEU A 74 1.143 8.018 -9.029 1.00 0.85 C ATOM 1130 CG LEU A 74 0.052 8.089 -10.097 1.00 0.99 C ATOM 1131 CD1 LEU A 74 -0.901 9.246 -9.816 1.00 1.19 C ATOM 1132 CD2 LEU A 74 0.663 8.221 -11.491 1.00 1.32 C ATOM 0 H LEU A 74 0.537 5.700 -9.598 1.00 0.64 H new ATOM 0 HA LEU A 74 2.801 7.305 -10.197 1.00 0.71 H new ATOM 0 HB2 LEU A 74 0.691 7.791 -8.063 1.00 0.85 H new ATOM 0 HB3 LEU A 74 1.623 8.992 -8.935 1.00 0.85 H new ATOM 0 HG LEU A 74 -0.517 7.160 -10.063 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -1.670 9.279 -10.588 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -1.370 9.103 -8.842 1.00 1.19 H new ATOM 0 HD13 LEU A 74 -0.345 10.184 -9.817 1.00 1.19 H new ATOM 0 HD21 LEU A 74 -0.133 8.270 -12.234 1.00 1.32 H new ATOM 0 HD22 LEU A 74 1.262 9.130 -11.541 1.00 1.32 H new ATOM 0 HD23 LEU A 74 1.296 7.357 -11.694 1.00 1.32 H new ATOM 1144 N ALA A 75 2.678 5.917 -7.220 1.00 0.78 N ATOM 1145 CA ALA A 75 3.466 5.637 -6.026 1.00 0.99 C ATOM 1146 C ALA A 75 3.775 6.928 -5.276 1.00 1.70 C ATOM 1147 O ALA A 75 4.839 7.066 -4.673 1.00 2.16 O ATOM 1148 CB ALA A 75 4.765 4.936 -6.410 1.00 1.14 C ATOM 0 H ALA A 75 1.786 5.423 -7.263 1.00 0.78 H new ATOM 0 HA ALA A 75 2.887 4.984 -5.373 1.00 0.99 H new ATOM 0 HB1 ALA A 75 5.347 4.731 -5.512 1.00 1.14 H new ATOM 0 HB2 ALA A 75 4.536 3.998 -6.916 1.00 1.14 H new ATOM 0 HB3 ALA A 75 5.341 5.577 -7.077 1.00 1.14 H new