USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 497 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 102 GLN : amide:sc= -0.602 K(o=-1.1,f=-0.11) USER MOD Set 1.2: A 106 GLN : amide:sc= -0.5 X(o=-1.1,f=-1.2!) USER MOD Set 2.1: A 73 ASN : amide:sc= -0.0032 K(o=0.061,f=-0.69) USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0.0639 USER MOD Single : A 64 ASN : amide:sc= -0.0149 K(o=-0.015,f=-0.73) USER MOD Single : A 70 TYR OH : rot 179:sc= 0.47 USER MOD Single : A 74 TYR OH : rot 30:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -1.55 X(o=-1.5,f=-1.4) USER MOD Single : A 82 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.112) USER MOD Single : A 83 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0245) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl -161:sc= -0.0973 (180deg=-0.689) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=-3.5e-05) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 137:sc= -0.918 (180deg=-1.27) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 GLN : amide:sc= -0.143 K(o=-0.14,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 59 -4.097 -12.989 -1.624 1.00 0.00 N ATOM 2 CA TRP A 59 -3.309 -11.744 -1.486 1.00 0.00 C ATOM 3 C TRP A 59 -4.158 -10.566 -1.855 1.00 0.00 C ATOM 4 O TRP A 59 -3.718 -9.639 -2.530 1.00 0.00 O ATOM 5 CB TRP A 59 -2.007 -11.868 -2.314 1.00 0.00 C ATOM 6 CG TRP A 59 -1.991 -12.933 -3.384 1.00 0.00 C ATOM 7 CD1 TRP A 59 -1.357 -14.142 -3.339 1.00 0.00 C ATOM 8 CD2 TRP A 59 -2.593 -12.843 -4.687 1.00 0.00 C ATOM 9 NE1 TRP A 59 -1.542 -14.816 -4.520 1.00 0.00 N ATOM 10 CE2 TRP A 59 -2.301 -14.029 -5.358 1.00 0.00 C ATOM 11 CE3 TRP A 59 -3.323 -11.853 -5.281 1.00 0.00 C ATOM 12 CZ2 TRP A 59 -2.744 -14.250 -6.630 1.00 0.00 C ATOM 13 CZ3 TRP A 59 -3.773 -12.078 -6.566 1.00 0.00 C ATOM 14 CH2 TRP A 59 -3.488 -13.257 -7.229 1.00 0.00 C ATOM 0 HA TRP A 59 -3.004 -11.584 -0.452 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.810 -10.906 -2.787 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.183 -12.061 -1.628 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -0.792 -14.513 -2.497 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.179 -15.743 -4.740 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.540 -10.929 -4.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.519 -15.170 -7.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -4.359 -11.319 -7.063 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -3.855 -13.402 -8.234 1.00 0.00 H new ATOM 27 N ILE A 60 -5.430 -10.596 -1.399 1.00 0.00 N ATOM 28 CA ILE A 60 -6.434 -9.689 -1.896 1.00 0.00 C ATOM 29 C ILE A 60 -7.515 -9.371 -0.915 1.00 0.00 C ATOM 30 O ILE A 60 -7.829 -10.165 -0.030 1.00 0.00 O ATOM 31 CB ILE A 60 -7.138 -10.141 -3.154 1.00 0.00 C ATOM 32 CG1 ILE A 60 -7.153 -11.680 -3.262 1.00 0.00 C ATOM 33 CG2 ILE A 60 -6.472 -9.441 -4.353 1.00 0.00 C ATOM 34 CD1 ILE A 60 -7.884 -12.348 -2.096 1.00 0.00 C ATOM 0 H ILE A 60 -5.765 -11.246 -0.688 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.827 -8.808 -2.104 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.189 -9.853 -3.135 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.630 -11.970 -4.198 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.127 -12.047 -3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.964 -9.752 -5.275 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.563 -8.361 -4.240 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.418 -9.714 -4.394 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.863 -13.430 -2.225 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.392 -12.085 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.919 -12.006 -2.071 1.00 0.00 H new ATOM 46 N ALA A 61 -8.082 -8.138 -1.062 1.00 0.00 N ATOM 47 CA ALA A 61 -9.165 -7.562 -0.285 1.00 0.00 C ATOM 48 C ALA A 61 -8.720 -7.208 1.104 1.00 0.00 C ATOM 49 O ALA A 61 -9.405 -6.515 1.853 1.00 0.00 O ATOM 50 CB ALA A 61 -10.420 -8.447 -0.194 1.00 0.00 C ATOM 0 H ALA A 61 -7.755 -7.495 -1.783 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.442 -6.662 -0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.179 -7.942 0.403 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.809 -8.630 -1.195 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.162 -9.397 0.275 1.00 0.00 H new ATOM 56 N ARG A 62 -7.546 -7.734 1.458 1.00 0.00 N ATOM 57 CA ARG A 62 -6.868 -7.684 2.697 1.00 0.00 C ATOM 58 C ARG A 62 -6.052 -6.427 2.690 1.00 0.00 C ATOM 59 O ARG A 62 -5.643 -5.929 3.737 1.00 0.00 O ATOM 60 CB ARG A 62 -6.064 -9.005 2.794 1.00 0.00 C ATOM 61 CG ARG A 62 -4.967 -9.212 1.734 1.00 0.00 C ATOM 62 CD ARG A 62 -3.601 -8.658 2.151 1.00 0.00 C ATOM 63 NE ARG A 62 -3.116 -9.401 3.359 1.00 0.00 N ATOM 64 CZ ARG A 62 -2.758 -8.778 4.525 1.00 0.00 C ATOM 65 NH1 ARG A 62 -2.944 -7.438 4.697 1.00 0.00 N ATOM 66 NH2 ARG A 62 -2.208 -9.515 5.535 1.00 0.00 N ATOM 0 H ARG A 62 -7.005 -8.266 0.776 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.500 -7.631 3.584 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.601 -9.053 3.780 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.764 -9.838 2.730 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.870 -10.278 1.527 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.276 -8.733 0.805 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.888 -8.763 1.334 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.679 -7.593 2.371 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.049 -10.418 3.310 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.357 -6.880 3.949 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.670 -6.993 5.573 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.068 -10.518 5.416 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.937 -9.062 6.408 1.00 0.00 H new ATOM 80 N ILE A 63 -5.810 -5.887 1.474 1.00 0.00 N ATOM 81 CA ILE A 63 -5.053 -4.718 1.224 1.00 0.00 C ATOM 82 C ILE A 63 -6.019 -3.612 1.342 1.00 0.00 C ATOM 83 O ILE A 63 -5.693 -2.562 1.883 1.00 0.00 O ATOM 84 CB ILE A 63 -4.569 -4.783 -0.191 1.00 0.00 C ATOM 85 CG1 ILE A 63 -3.392 -5.750 -0.260 1.00 0.00 C ATOM 86 CG2 ILE A 63 -4.171 -3.396 -0.690 1.00 0.00 C ATOM 87 CD1 ILE A 63 -3.257 -6.401 -1.627 1.00 0.00 C ATOM 0 H ILE A 63 -6.174 -6.306 0.618 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.204 -4.602 1.898 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.370 -5.142 -0.838 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.472 -5.216 -0.022 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.516 -6.524 0.497 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.822 -3.466 -1.720 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -5.034 -2.731 -0.643 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.373 -2.999 -0.063 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.405 -7.080 -1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.165 -6.959 -1.855 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.105 -5.631 -2.383 1.00 0.00 H new ATOM 99 N ASN A 64 -7.251 -3.858 0.851 1.00 0.00 N ATOM 100 CA ASN A 64 -8.345 -2.934 0.937 1.00 0.00 C ATOM 101 C ASN A 64 -8.653 -2.710 2.376 1.00 0.00 C ATOM 102 O ASN A 64 -9.078 -1.630 2.781 1.00 0.00 O ATOM 103 CB ASN A 64 -9.605 -3.553 0.315 1.00 0.00 C ATOM 104 CG ASN A 64 -10.566 -2.482 -0.202 1.00 0.00 C ATOM 105 OD1 ASN A 64 -10.440 -1.287 0.090 1.00 0.00 O ATOM 106 ND2 ASN A 64 -11.570 -2.951 -1.006 1.00 0.00 N ATOM 0 H ASN A 64 -7.494 -4.729 0.379 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.073 -2.013 0.422 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.320 -4.212 -0.505 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.112 -4.169 1.058 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.257 -2.304 -1.394 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.631 -3.947 -1.217 1.00 0.00 H new ATOM 113 N ALA A 65 -8.420 -3.765 3.177 1.00 0.00 N ATOM 114 CA ALA A 65 -8.749 -3.743 4.573 1.00 0.00 C ATOM 115 C ALA A 65 -7.727 -2.951 5.333 1.00 0.00 C ATOM 116 O ALA A 65 -8.018 -2.434 6.409 1.00 0.00 O ATOM 117 CB ALA A 65 -8.800 -5.145 5.196 1.00 0.00 C ATOM 0 H ALA A 65 -8.002 -4.639 2.858 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.739 -3.291 4.641 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.053 -5.064 6.253 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.556 -5.742 4.686 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.827 -5.625 5.092 1.00 0.00 H new ATOM 123 N ALA A 66 -6.500 -2.839 4.790 1.00 0.00 N ATOM 124 CA ALA A 66 -5.442 -2.131 5.454 1.00 0.00 C ATOM 125 C ALA A 66 -5.532 -0.666 5.156 1.00 0.00 C ATOM 126 O ALA A 66 -5.271 0.161 6.030 1.00 0.00 O ATOM 127 CB ALA A 66 -4.051 -2.587 4.983 1.00 0.00 C ATOM 0 H ALA A 66 -6.238 -3.239 3.889 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.560 -2.338 6.518 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.284 -2.023 5.514 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.927 -3.650 5.189 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.954 -2.412 3.912 1.00 0.00 H new ATOM 133 N VAL A 67 -5.871 -0.314 3.897 1.00 0.00 N ATOM 134 CA VAL A 67 -5.653 1.020 3.401 1.00 0.00 C ATOM 135 C VAL A 67 -6.867 1.872 3.597 1.00 0.00 C ATOM 136 O VAL A 67 -6.871 3.042 3.217 1.00 0.00 O ATOM 137 CB VAL A 67 -5.260 1.076 1.937 1.00 0.00 C ATOM 138 CG1 VAL A 67 -3.940 0.317 1.726 1.00 0.00 C ATOM 139 CG2 VAL A 67 -6.382 0.544 1.027 1.00 0.00 C ATOM 0 H VAL A 67 -6.295 -0.950 3.222 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.815 1.401 3.984 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.106 2.118 1.655 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.660 0.359 0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.156 0.776 2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.066 -0.723 2.027 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.064 0.600 -0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.599 -0.493 1.285 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.279 1.147 1.165 1.00 0.00 H new ATOM 149 N ARG A 68 -7.927 1.306 4.211 1.00 0.00 N ATOM 150 CA ARG A 68 -9.195 1.967 4.359 1.00 0.00 C ATOM 151 C ARG A 68 -9.121 3.058 5.385 1.00 0.00 C ATOM 152 O ARG A 68 -10.006 3.910 5.448 1.00 0.00 O ATOM 153 CB ARG A 68 -10.302 0.982 4.781 1.00 0.00 C ATOM 154 CG ARG A 68 -10.080 0.352 6.161 1.00 0.00 C ATOM 155 CD ARG A 68 -11.004 -0.841 6.406 1.00 0.00 C ATOM 156 NE ARG A 68 -10.724 -1.381 7.772 1.00 0.00 N ATOM 157 CZ ARG A 68 -11.330 -0.884 8.893 1.00 0.00 C ATOM 158 NH1 ARG A 68 -12.239 0.131 8.810 1.00 0.00 N ATOM 159 NH2 ARG A 68 -11.021 -1.411 10.114 1.00 0.00 N ATOM 0 H ARG A 68 -7.904 0.369 4.614 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.438 2.390 3.384 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.259 1.504 4.780 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.372 0.188 4.037 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.042 0.030 6.249 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.247 1.103 6.933 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -12.047 -0.536 6.325 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.838 -1.611 5.652 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.058 -2.147 7.871 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -12.476 0.531 7.902 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.682 0.490 9.656 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.343 -2.170 10.185 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.468 -1.046 10.955 1.00 0.00 H new ATOM 173 N ALA A 69 -8.048 3.055 6.202 1.00 0.00 N ATOM 174 CA ALA A 69 -7.825 4.043 7.213 1.00 0.00 C ATOM 175 C ALA A 69 -7.546 5.364 6.569 1.00 0.00 C ATOM 176 O ALA A 69 -7.984 6.401 7.066 1.00 0.00 O ATOM 177 CB ALA A 69 -6.600 3.700 8.075 1.00 0.00 C ATOM 0 H ALA A 69 -7.317 2.345 6.157 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.719 4.076 7.835 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.460 4.471 8.832 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.756 2.737 8.562 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.714 3.647 7.443 1.00 0.00 H new ATOM 183 N TYR A 70 -6.802 5.348 5.444 1.00 0.00 N ATOM 184 CA TYR A 70 -6.372 6.552 4.798 1.00 0.00 C ATOM 185 C TYR A 70 -7.523 7.154 4.066 1.00 0.00 C ATOM 186 O TYR A 70 -7.780 8.349 4.189 1.00 0.00 O ATOM 187 CB TYR A 70 -5.251 6.300 3.773 1.00 0.00 C ATOM 188 CG TYR A 70 -4.098 5.644 4.461 1.00 0.00 C ATOM 189 CD1 TYR A 70 -3.473 6.257 5.533 1.00 0.00 C ATOM 190 CD2 TYR A 70 -3.640 4.414 4.027 1.00 0.00 C ATOM 191 CE1 TYR A 70 -2.426 5.634 6.179 1.00 0.00 C ATOM 192 CE2 TYR A 70 -2.585 3.792 4.668 1.00 0.00 C ATOM 193 CZ TYR A 70 -1.985 4.401 5.750 1.00 0.00 C ATOM 194 OH TYR A 70 -0.910 3.776 6.417 1.00 0.00 O ATOM 0 H TYR A 70 -6.497 4.493 4.980 1.00 0.00 H new ATOM 0 HA TYR A 70 -5.993 7.214 5.576 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.616 5.667 2.964 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.934 7.241 3.323 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.807 7.229 5.865 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -4.110 3.935 3.181 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.951 6.113 7.022 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.232 2.832 4.322 1.00 0.00 H new ATOM 0 HH TYR A 70 -0.731 2.905 6.004 1.00 0.00 H new ATOM 204 N GLY A 71 -8.237 6.322 3.282 1.00 0.00 N ATOM 205 CA GLY A 71 -9.280 6.804 2.424 1.00 0.00 C ATOM 206 C GLY A 71 -9.014 6.201 1.090 1.00 0.00 C ATOM 207 O GLY A 71 -9.816 6.324 0.166 1.00 0.00 O ATOM 0 H GLY A 71 -8.092 5.313 3.242 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.261 6.511 2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.271 7.893 2.370 1.00 0.00 H new ATOM 211 N LEU A 72 -7.863 5.508 0.984 1.00 0.00 N ATOM 212 CA LEU A 72 -7.545 4.723 -0.166 1.00 0.00 C ATOM 213 C LEU A 72 -8.403 3.527 -0.076 1.00 0.00 C ATOM 214 O LEU A 72 -8.805 3.112 1.009 1.00 0.00 O ATOM 215 CB LEU A 72 -6.091 4.234 -0.172 1.00 0.00 C ATOM 216 CG LEU A 72 -5.050 5.365 -0.236 1.00 0.00 C ATOM 217 CD1 LEU A 72 -3.629 4.803 -0.063 1.00 0.00 C ATOM 218 CD2 LEU A 72 -5.177 6.154 -1.545 1.00 0.00 C ATOM 0 H LEU A 72 -7.145 5.494 1.708 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.694 5.326 -1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.914 3.642 0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.945 3.571 -1.025 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.243 6.054 0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.907 5.618 -0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.550 4.305 0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.422 4.087 -0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.430 6.948 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.018 5.484 -2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.173 6.592 -1.611 1.00 0.00 H new ATOM 230 N ASN A 73 -8.755 3.006 -1.260 1.00 0.00 N ATOM 231 CA ASN A 73 -9.686 1.932 -1.356 1.00 0.00 C ATOM 232 C ASN A 73 -9.109 0.814 -2.147 1.00 0.00 C ATOM 233 O ASN A 73 -9.865 0.009 -2.690 1.00 0.00 O ATOM 234 CB ASN A 73 -11.049 2.364 -1.945 1.00 0.00 C ATOM 235 CG ASN A 73 -10.918 2.840 -3.397 1.00 0.00 C ATOM 236 OD1 ASN A 73 -10.196 3.789 -3.722 1.00 0.00 O ATOM 237 ND2 ASN A 73 -11.684 2.146 -4.294 1.00 0.00 N ATOM 0 H ASN A 73 -8.392 3.331 -2.156 1.00 0.00 H new ATOM 0 HA ASN A 73 -9.879 1.594 -0.338 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.746 1.528 -1.898 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -11.470 3.165 -1.337 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.675 2.405 -5.280 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -12.264 1.369 -3.976 1.00 0.00 H new ATOM 244 N TYR A 74 -7.755 0.761 -2.220 1.00 0.00 N ATOM 245 CA TYR A 74 -6.984 -0.231 -2.937 1.00 0.00 C ATOM 246 C TYR A 74 -6.871 0.217 -4.374 1.00 0.00 C ATOM 247 O TYR A 74 -5.908 -0.129 -5.042 1.00 0.00 O ATOM 248 CB TYR A 74 -7.497 -1.703 -2.787 1.00 0.00 C ATOM 249 CG TYR A 74 -6.641 -2.840 -3.297 1.00 0.00 C ATOM 250 CD1 TYR A 74 -5.339 -2.738 -3.768 1.00 0.00 C ATOM 251 CD2 TYR A 74 -7.218 -4.102 -3.273 1.00 0.00 C ATOM 252 CE1 TYR A 74 -4.688 -3.838 -4.286 1.00 0.00 C ATOM 253 CE2 TYR A 74 -6.555 -5.209 -3.760 1.00 0.00 C ATOM 254 CZ TYR A 74 -5.294 -5.075 -4.292 1.00 0.00 C ATOM 255 OH TYR A 74 -4.618 -6.196 -4.820 1.00 0.00 O ATOM 0 H TYR A 74 -7.165 1.449 -1.753 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.995 -0.285 -2.483 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.679 -1.880 -1.727 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.461 -1.767 -3.291 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.830 -1.786 -3.728 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.210 -4.220 -2.863 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.693 -3.728 -4.691 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.026 -6.180 -3.724 1.00 0.00 H new ATOM 0 HH TYR A 74 -3.652 -6.083 -4.697 1.00 0.00 H new ATOM 265 N SER A 75 -7.835 1.003 -4.896 1.00 0.00 N ATOM 266 CA SER A 75 -7.845 1.383 -6.285 1.00 0.00 C ATOM 267 C SER A 75 -6.935 2.545 -6.508 1.00 0.00 C ATOM 268 O SER A 75 -6.247 2.627 -7.523 1.00 0.00 O ATOM 269 CB SER A 75 -9.243 1.788 -6.773 1.00 0.00 C ATOM 270 OG SER A 75 -9.219 2.074 -8.164 1.00 0.00 O ATOM 0 H SER A 75 -8.613 1.379 -4.355 1.00 0.00 H new ATOM 0 HA SER A 75 -7.514 0.508 -6.844 1.00 0.00 H new ATOM 0 HB2 SER A 75 -9.952 0.984 -6.573 1.00 0.00 H new ATOM 0 HB3 SER A 75 -9.588 2.662 -6.221 1.00 0.00 H new ATOM 0 HG SER A 75 -10.117 2.329 -8.461 1.00 0.00 H new ATOM 276 N THR A 76 -6.933 3.494 -5.556 1.00 0.00 N ATOM 277 CA THR A 76 -6.172 4.700 -5.701 1.00 0.00 C ATOM 278 C THR A 76 -4.790 4.431 -5.189 1.00 0.00 C ATOM 279 O THR A 76 -3.810 5.051 -5.618 1.00 0.00 O ATOM 280 CB THR A 76 -6.799 5.829 -4.940 1.00 0.00 C ATOM 281 OG1 THR A 76 -7.356 5.331 -3.736 1.00 0.00 O ATOM 282 CG2 THR A 76 -7.919 6.451 -5.792 1.00 0.00 C ATOM 0 H THR A 76 -7.458 3.428 -4.684 1.00 0.00 H new ATOM 0 HA THR A 76 -6.143 4.995 -6.750 1.00 0.00 H new ATOM 0 HB THR A 76 -6.044 6.581 -4.712 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.765 6.068 -3.236 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.379 7.273 -5.244 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.500 6.827 -6.725 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.672 5.694 -6.011 1.00 0.00 H new ATOM 290 N PHE A 77 -4.703 3.436 -4.283 1.00 0.00 N ATOM 291 CA PHE A 77 -3.465 2.908 -3.795 1.00 0.00 C ATOM 292 C PHE A 77 -2.752 2.364 -4.978 1.00 0.00 C ATOM 293 O PHE A 77 -1.571 2.633 -5.176 1.00 0.00 O ATOM 294 CB PHE A 77 -3.714 1.730 -2.832 1.00 0.00 C ATOM 295 CG PHE A 77 -2.479 1.217 -2.152 1.00 0.00 C ATOM 296 CD1 PHE A 77 -1.491 2.043 -1.643 1.00 0.00 C ATOM 297 CD2 PHE A 77 -2.361 -0.150 -1.966 1.00 0.00 C ATOM 298 CE1 PHE A 77 -0.410 1.512 -0.967 1.00 0.00 C ATOM 299 CE2 PHE A 77 -1.285 -0.683 -1.287 1.00 0.00 C ATOM 300 CZ PHE A 77 -0.305 0.149 -0.787 1.00 0.00 C ATOM 0 H PHE A 77 -5.523 2.985 -3.877 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.908 3.685 -3.271 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.430 2.042 -2.072 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.175 0.913 -3.387 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.566 3.112 -1.776 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.122 -0.808 -2.358 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.356 2.167 -0.578 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.210 -1.751 -1.147 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.540 -0.265 -0.257 1.00 0.00 H new ATOM 310 N ILE A 78 -3.517 1.611 -5.797 1.00 0.00 N ATOM 311 CA ILE A 78 -3.053 0.886 -6.945 1.00 0.00 C ATOM 312 C ILE A 78 -2.329 1.825 -7.875 1.00 0.00 C ATOM 313 O ILE A 78 -1.293 1.467 -8.435 1.00 0.00 O ATOM 314 CB ILE A 78 -4.182 0.137 -7.643 1.00 0.00 C ATOM 315 CG1 ILE A 78 -3.940 -1.367 -7.425 1.00 0.00 C ATOM 316 CG2 ILE A 78 -4.338 0.476 -9.143 1.00 0.00 C ATOM 317 CD1 ILE A 78 -5.147 -2.252 -7.748 1.00 0.00 C ATOM 0 H ILE A 78 -4.520 1.503 -5.647 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.351 0.120 -6.614 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.128 0.453 -7.203 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.098 -1.681 -8.042 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.652 -1.530 -6.386 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.163 -0.100 -9.562 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.544 1.540 -9.256 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.417 0.227 -9.670 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.891 -3.296 -7.567 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.986 -1.969 -7.113 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.424 -2.122 -8.794 1.00 0.00 H new ATOM 329 N ASN A 79 -2.864 3.059 -8.038 1.00 0.00 N ATOM 330 CA ASN A 79 -2.373 3.969 -9.036 1.00 0.00 C ATOM 331 C ASN A 79 -1.098 4.596 -8.623 1.00 0.00 C ATOM 332 O ASN A 79 -0.140 4.653 -9.388 1.00 0.00 O ATOM 333 CB ASN A 79 -3.368 5.086 -9.468 1.00 0.00 C ATOM 334 CG ASN A 79 -3.514 6.400 -8.669 1.00 0.00 C ATOM 335 OD1 ASN A 79 -2.625 7.259 -8.653 1.00 0.00 O ATOM 336 ND2 ASN A 79 -4.735 6.594 -8.092 1.00 0.00 N ATOM 0 H ASN A 79 -3.635 3.424 -7.479 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.224 3.333 -9.908 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.105 5.365 -10.488 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.357 4.629 -9.507 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -4.943 7.476 -7.624 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.439 5.857 -8.129 1.00 0.00 H new ATOM 343 N GLY A 80 -1.105 5.116 -7.395 1.00 0.00 N ATOM 344 CA GLY A 80 -0.025 5.957 -6.943 1.00 0.00 C ATOM 345 C GLY A 80 1.207 5.173 -6.614 1.00 0.00 C ATOM 346 O GLY A 80 2.297 5.740 -6.574 1.00 0.00 O ATOM 0 H GLY A 80 -1.845 4.964 -6.710 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.209 6.690 -7.715 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.345 6.513 -6.062 1.00 0.00 H new ATOM 350 N LEU A 81 1.067 3.856 -6.359 1.00 0.00 N ATOM 351 CA LEU A 81 2.207 2.984 -6.248 1.00 0.00 C ATOM 352 C LEU A 81 2.958 2.972 -7.530 1.00 0.00 C ATOM 353 O LEU A 81 4.176 3.076 -7.517 1.00 0.00 O ATOM 354 CB LEU A 81 1.840 1.519 -6.050 1.00 0.00 C ATOM 355 CG LEU A 81 1.228 1.187 -4.685 1.00 0.00 C ATOM 356 CD1 LEU A 81 0.401 -0.092 -4.799 1.00 0.00 C ATOM 357 CD2 LEU A 81 2.315 1.032 -3.608 1.00 0.00 C ATOM 0 H LEU A 81 0.167 3.393 -6.229 1.00 0.00 H new ATOM 0 HA LEU A 81 2.764 3.368 -5.393 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.135 1.227 -6.829 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.736 0.913 -6.188 1.00 0.00 H new ATOM 0 HG LEU A 81 0.583 2.012 -4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.036 -0.331 -3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.395 0.053 -5.529 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.043 -0.913 -5.120 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.848 0.797 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.993 0.226 -3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.875 1.963 -3.519 1.00 0.00 H new ATOM 369 N LYS A 82 2.241 2.821 -8.667 1.00 0.00 N ATOM 370 CA LYS A 82 2.824 2.698 -9.976 1.00 0.00 C ATOM 371 C LYS A 82 3.492 3.984 -10.338 1.00 0.00 C ATOM 372 O LYS A 82 4.513 3.990 -11.025 1.00 0.00 O ATOM 373 CB LYS A 82 1.751 2.394 -11.045 1.00 0.00 C ATOM 374 CG LYS A 82 2.282 2.247 -12.477 1.00 0.00 C ATOM 375 CD LYS A 82 1.170 1.905 -13.479 1.00 0.00 C ATOM 376 CE LYS A 82 1.667 1.793 -14.925 1.00 0.00 C ATOM 377 NZ LYS A 82 2.167 3.097 -15.412 1.00 0.00 N ATOM 0 H LYS A 82 1.222 2.783 -8.675 1.00 0.00 H new ATOM 0 HA LYS A 82 3.540 1.876 -9.949 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.236 1.474 -10.769 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.009 3.192 -11.029 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.767 3.175 -12.779 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.043 1.467 -12.502 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.706 0.963 -13.188 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.396 2.671 -13.427 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.461 1.049 -14.984 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.857 1.447 -15.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.355 3.037 -16.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.452 3.831 -15.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.046 3.341 -14.912 1.00 0.00 H new ATOM 391 N LYS A 83 2.921 5.106 -9.855 1.00 0.00 N ATOM 392 CA LYS A 83 3.415 6.418 -10.130 1.00 0.00 C ATOM 393 C LYS A 83 4.755 6.582 -9.472 1.00 0.00 C ATOM 394 O LYS A 83 5.648 7.220 -10.029 1.00 0.00 O ATOM 395 CB LYS A 83 2.437 7.497 -9.616 1.00 0.00 C ATOM 396 CG LYS A 83 2.787 8.934 -10.041 1.00 0.00 C ATOM 397 CD LYS A 83 2.822 9.149 -11.562 1.00 0.00 C ATOM 398 CE LYS A 83 2.917 10.627 -11.957 1.00 0.00 C ATOM 399 NZ LYS A 83 4.153 11.237 -11.419 1.00 0.00 N ATOM 0 H LYS A 83 2.094 5.097 -9.258 1.00 0.00 H new ATOM 0 HA LYS A 83 3.512 6.542 -11.209 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.435 7.260 -9.974 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.406 7.451 -8.527 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.058 9.618 -9.605 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.760 9.197 -9.625 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.674 8.612 -11.980 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.924 8.717 -12.005 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.904 10.719 -13.043 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.047 11.165 -11.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.248 12.207 -11.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.106 11.259 -10.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.976 10.674 -11.716 1.00 0.00 H new ATOM 413 N ALA A 84 4.929 5.975 -8.280 1.00 0.00 N ATOM 414 CA ALA A 84 6.185 5.996 -7.588 1.00 0.00 C ATOM 415 C ALA A 84 7.162 5.100 -8.287 1.00 0.00 C ATOM 416 O ALA A 84 8.307 5.491 -8.509 1.00 0.00 O ATOM 417 CB ALA A 84 6.069 5.544 -6.125 1.00 0.00 C ATOM 0 H ALA A 84 4.192 5.465 -7.792 1.00 0.00 H new ATOM 0 HA ALA A 84 6.527 7.031 -7.592 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.051 5.581 -5.654 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.386 6.206 -5.593 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.687 4.524 -6.089 1.00 0.00 H new ATOM 423 N GLY A 85 6.717 3.882 -8.660 1.00 0.00 N ATOM 424 CA GLY A 85 7.528 2.929 -9.366 1.00 0.00 C ATOM 425 C GLY A 85 7.633 1.697 -8.533 1.00 0.00 C ATOM 426 O GLY A 85 8.621 0.970 -8.607 1.00 0.00 O ATOM 0 H GLY A 85 5.772 3.551 -8.467 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.085 2.696 -10.334 1.00 0.00 H new ATOM 0 HA3 GLY A 85 8.518 3.342 -9.560 1.00 0.00 H new ATOM 430 N ILE A 86 6.599 1.452 -7.711 1.00 0.00 N ATOM 431 CA ILE A 86 6.539 0.357 -6.807 1.00 0.00 C ATOM 432 C ILE A 86 5.690 -0.644 -7.533 1.00 0.00 C ATOM 433 O ILE A 86 6.192 -1.699 -7.921 1.00 0.00 O ATOM 434 CB ILE A 86 5.963 0.811 -5.476 1.00 0.00 C ATOM 435 CG1 ILE A 86 6.925 1.835 -4.827 1.00 0.00 C ATOM 436 CG2 ILE A 86 5.712 -0.400 -4.566 1.00 0.00 C ATOM 437 CD1 ILE A 86 6.413 2.391 -3.497 1.00 0.00 C ATOM 0 H ILE A 86 5.770 2.046 -7.678 1.00 0.00 H new ATOM 0 HA ILE A 86 7.506 -0.073 -6.545 1.00 0.00 H new ATOM 0 HB ILE A 86 5.002 1.300 -5.632 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.893 1.361 -4.666 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.086 2.661 -5.520 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.299 -0.062 -3.616 1.00 0.00 H new ATOM 0 HG22 ILE A 86 5.006 -1.077 -5.048 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.652 -0.922 -4.388 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.136 3.102 -3.098 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.459 2.894 -3.656 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.279 1.574 -2.788 1.00 0.00 H new ATOM 449 N GLU A 87 4.399 -0.298 -7.765 1.00 0.00 N ATOM 450 CA GLU A 87 3.423 -1.080 -8.492 1.00 0.00 C ATOM 451 C GLU A 87 3.278 -2.432 -7.853 1.00 0.00 C ATOM 452 O GLU A 87 3.204 -3.460 -8.525 1.00 0.00 O ATOM 453 CB GLU A 87 3.756 -1.222 -9.995 1.00 0.00 C ATOM 454 CG GLU A 87 2.554 -1.600 -10.876 1.00 0.00 C ATOM 455 CD GLU A 87 3.067 -1.890 -12.280 1.00 0.00 C ATOM 456 OE1 GLU A 87 3.893 -2.832 -12.424 1.00 0.00 O ATOM 457 OE2 GLU A 87 2.638 -1.182 -13.228 1.00 0.00 O ATOM 0 H GLU A 87 4.012 0.582 -7.424 1.00 0.00 H new ATOM 0 HA GLU A 87 2.477 -0.542 -8.439 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.173 -0.281 -10.353 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.531 -1.979 -10.114 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.044 -2.473 -10.469 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.827 -0.788 -10.897 1.00 0.00 H new ATOM 464 N LEU A 88 3.291 -2.449 -6.508 1.00 0.00 N ATOM 465 CA LEU A 88 3.457 -3.666 -5.775 1.00 0.00 C ATOM 466 C LEU A 88 2.337 -3.749 -4.786 1.00 0.00 C ATOM 467 O LEU A 88 2.097 -2.808 -4.033 1.00 0.00 O ATOM 468 CB LEU A 88 4.838 -3.642 -5.097 1.00 0.00 C ATOM 469 CG LEU A 88 5.624 -4.966 -5.105 1.00 0.00 C ATOM 470 CD1 LEU A 88 7.108 -4.701 -4.796 1.00 0.00 C ATOM 471 CD2 LEU A 88 5.048 -6.004 -4.132 1.00 0.00 C ATOM 0 H LEU A 88 3.186 -1.617 -5.927 1.00 0.00 H new ATOM 0 HA LEU A 88 3.421 -4.547 -6.415 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.446 -2.880 -5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.706 -3.329 -4.061 1.00 0.00 H new ATOM 0 HG LEU A 88 5.530 -5.390 -6.105 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.655 -5.644 -4.804 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.523 -4.034 -5.551 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.198 -4.238 -3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.642 -6.917 -4.180 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.076 -5.606 -3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.017 -6.227 -4.406 1.00 0.00 H new ATOM 483 N ASP A 89 1.605 -4.880 -4.789 1.00 0.00 N ATOM 484 CA ASP A 89 0.563 -5.148 -3.835 1.00 0.00 C ATOM 485 C ASP A 89 0.749 -6.584 -3.536 1.00 0.00 C ATOM 486 O ASP A 89 1.883 -7.047 -3.430 1.00 0.00 O ATOM 487 CB ASP A 89 -0.877 -4.911 -4.324 1.00 0.00 C ATOM 488 CG ASP A 89 -1.015 -3.505 -4.890 1.00 0.00 C ATOM 489 OD1 ASP A 89 -0.792 -3.327 -6.117 1.00 0.00 O ATOM 490 OD2 ASP A 89 -1.368 -2.592 -4.096 1.00 0.00 O ATOM 0 H ASP A 89 1.738 -5.628 -5.470 1.00 0.00 H new ATOM 0 HA ASP A 89 0.655 -4.464 -2.991 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.135 -5.645 -5.087 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.576 -5.049 -3.499 1.00 0.00 H new ATOM 495 N ARG A 90 -0.377 -7.301 -3.370 1.00 0.00 N ATOM 496 CA ARG A 90 -0.440 -8.640 -2.881 1.00 0.00 C ATOM 497 C ARG A 90 -0.250 -8.602 -1.393 1.00 0.00 C ATOM 498 O ARG A 90 -0.123 -7.524 -0.830 1.00 0.00 O ATOM 499 CB ARG A 90 0.449 -9.679 -3.613 1.00 0.00 C ATOM 500 CG ARG A 90 0.002 -9.866 -5.068 1.00 0.00 C ATOM 501 CD ARG A 90 0.623 -11.091 -5.736 1.00 0.00 C ATOM 502 NE ARG A 90 -0.023 -11.240 -7.070 1.00 0.00 N ATOM 503 CZ ARG A 90 0.117 -12.391 -7.792 1.00 0.00 C ATOM 504 NH1 ARG A 90 0.867 -13.422 -7.306 1.00 0.00 N ATOM 505 NH2 ARG A 90 -0.498 -12.512 -9.004 1.00 0.00 N ATOM 0 H ARG A 90 -1.297 -6.921 -3.591 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.430 -9.031 -3.116 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.489 -9.353 -3.589 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.402 -10.634 -3.090 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.084 -9.955 -5.099 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.266 -8.976 -5.639 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.701 -10.967 -5.842 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.463 -11.982 -5.129 1.00 0.00 H new ATOM 0 HE ARG A 90 -0.577 -10.472 -7.449 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.326 -13.335 -6.399 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.968 -14.279 -7.849 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.061 -11.744 -9.369 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -0.395 -13.371 -9.545 1.00 0.00 H new ATOM 519 N LYS A 91 -0.258 -9.778 -0.721 1.00 0.00 N ATOM 520 CA LYS A 91 0.010 -9.950 0.687 1.00 0.00 C ATOM 521 C LYS A 91 1.407 -10.426 0.745 1.00 0.00 C ATOM 522 O LYS A 91 1.905 -10.917 1.751 1.00 0.00 O ATOM 523 CB LYS A 91 -0.928 -10.903 1.468 1.00 0.00 C ATOM 524 CG LYS A 91 -0.807 -12.427 1.312 1.00 0.00 C ATOM 525 CD LYS A 91 -1.804 -13.170 2.225 1.00 0.00 C ATOM 526 CE LYS A 91 -3.284 -13.021 1.839 1.00 0.00 C ATOM 527 NZ LYS A 91 -4.145 -13.658 2.858 1.00 0.00 N ATOM 0 H LYS A 91 -0.464 -10.661 -1.188 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.169 -8.999 1.189 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.803 -10.678 2.527 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.951 -10.634 1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.988 -12.703 0.273 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.210 -12.739 1.552 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.551 -14.230 2.225 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.674 -12.811 3.246 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.538 -11.965 1.746 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.461 -13.478 0.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.143 -13.550 2.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.912 -14.669 2.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.987 -13.203 3.780 1.00 0.00 H new ATOM 541 N ILE A 92 2.065 -10.222 -0.397 1.00 0.00 N ATOM 542 CA ILE A 92 3.458 -10.388 -0.586 1.00 0.00 C ATOM 543 C ILE A 92 3.941 -8.969 -0.471 1.00 0.00 C ATOM 544 O ILE A 92 5.144 -8.718 -0.408 1.00 0.00 O ATOM 545 CB ILE A 92 3.725 -11.014 -1.951 1.00 0.00 C ATOM 546 CG1 ILE A 92 2.979 -12.373 -2.056 1.00 0.00 C ATOM 547 CG2 ILE A 92 5.242 -11.172 -2.188 1.00 0.00 C ATOM 548 CD1 ILE A 92 3.117 -13.057 -3.421 1.00 0.00 C ATOM 0 H ILE A 92 1.589 -9.920 -1.247 1.00 0.00 H new ATOM 0 HA ILE A 92 3.958 -11.055 0.116 1.00 0.00 H new ATOM 0 HB ILE A 92 3.345 -10.357 -2.733 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.358 -13.044 -1.285 1.00 0.00 H new ATOM 0 HG13 ILE A 92 1.921 -12.212 -1.847 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.413 -11.620 -3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.720 -10.193 -2.149 1.00 0.00 H new ATOM 0 HG23 ILE A 92 5.666 -11.814 -1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.568 -13.999 -3.413 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.711 -12.407 -4.196 1.00 0.00 H new ATOM 0 HD13 ILE A 92 4.170 -13.252 -3.625 1.00 0.00 H new ATOM 560 N LEU A 93 2.993 -7.999 -0.370 1.00 0.00 N ATOM 561 CA LEU A 93 3.430 -6.650 0.002 1.00 0.00 C ATOM 562 C LEU A 93 2.799 -6.314 1.241 1.00 0.00 C ATOM 563 O LEU A 93 3.392 -5.665 2.084 1.00 0.00 O ATOM 564 CB LEU A 93 2.882 -5.503 -0.825 1.00 0.00 C ATOM 565 CG LEU A 93 2.611 -4.049 -0.299 1.00 0.00 C ATOM 566 CD1 LEU A 93 3.552 -3.053 -1.006 1.00 0.00 C ATOM 567 CD2 LEU A 93 1.148 -3.587 -0.425 1.00 0.00 C ATOM 0 H LEU A 93 1.993 -8.121 -0.530 1.00 0.00 H new ATOM 0 HA LEU A 93 4.516 -6.720 -0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.565 -5.392 -1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.932 -5.855 -1.228 1.00 0.00 H new ATOM 0 HG LEU A 93 2.816 -4.073 0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.359 -2.046 -0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.588 -3.323 -0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.375 -3.086 -2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.052 -2.572 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.850 -3.605 -1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.505 -4.256 0.147 1.00 0.00 H new ATOM 579 N ALA A 94 1.527 -6.679 1.313 1.00 0.00 N ATOM 580 CA ALA A 94 0.657 -6.259 2.351 1.00 0.00 C ATOM 581 C ALA A 94 0.850 -7.143 3.521 1.00 0.00 C ATOM 582 O ALA A 94 0.171 -7.005 4.534 1.00 0.00 O ATOM 583 CB ALA A 94 -0.789 -6.347 1.923 1.00 0.00 C ATOM 0 H ALA A 94 1.082 -7.288 0.627 1.00 0.00 H new ATOM 0 HA ALA A 94 0.889 -5.222 2.595 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -1.431 -6.018 2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.951 -5.708 1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.030 -7.378 1.665 1.00 0.00 H new ATOM 589 N ASP A 95 1.842 -8.040 3.411 1.00 0.00 N ATOM 590 CA ASP A 95 2.478 -8.558 4.558 1.00 0.00 C ATOM 591 C ASP A 95 3.074 -7.416 5.262 1.00 0.00 C ATOM 592 O ASP A 95 2.897 -7.248 6.459 1.00 0.00 O ATOM 593 CB ASP A 95 3.606 -9.550 4.234 1.00 0.00 C ATOM 594 CG ASP A 95 4.880 -9.055 3.546 1.00 0.00 C ATOM 595 OD1 ASP A 95 4.797 -8.549 2.403 1.00 0.00 O ATOM 596 OD2 ASP A 95 5.964 -9.189 4.177 1.00 0.00 O ATOM 0 H ASP A 95 2.197 -8.401 2.525 1.00 0.00 H new ATOM 0 HA ASP A 95 1.735 -9.097 5.146 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.904 -10.020 5.171 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.180 -10.332 3.606 1.00 0.00 H new ATOM 601 N MET A 96 3.791 -6.579 4.515 1.00 0.00 N ATOM 602 CA MET A 96 4.482 -5.492 5.159 1.00 0.00 C ATOM 603 C MET A 96 3.459 -4.499 5.650 1.00 0.00 C ATOM 604 O MET A 96 3.731 -3.772 6.595 1.00 0.00 O ATOM 605 CB MET A 96 5.560 -4.812 4.285 1.00 0.00 C ATOM 606 CG MET A 96 5.646 -3.284 4.294 1.00 0.00 C ATOM 607 SD MET A 96 6.733 -2.660 2.985 1.00 0.00 S ATOM 608 CE MET A 96 5.339 -2.263 1.908 1.00 0.00 C ATOM 0 H MET A 96 3.900 -6.636 3.502 1.00 0.00 H new ATOM 0 HA MET A 96 5.043 -5.910 5.995 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.531 -5.201 4.592 1.00 0.00 H new ATOM 0 HB3 MET A 96 5.401 -5.130 3.255 1.00 0.00 H new ATOM 0 HG2 MET A 96 4.648 -2.864 4.168 1.00 0.00 H new ATOM 0 HG3 MET A 96 6.014 -2.947 5.263 1.00 0.00 H new ATOM 0 HE1 MET A 96 5.690 -2.164 0.881 1.00 0.00 H new ATOM 0 HE2 MET A 96 4.598 -3.060 1.963 1.00 0.00 H new ATOM 0 HE3 MET A 96 4.887 -1.325 2.229 1.00 0.00 H new ATOM 618 N ALA A 97 2.246 -4.454 5.054 1.00 0.00 N ATOM 619 CA ALA A 97 1.263 -3.463 5.403 1.00 0.00 C ATOM 620 C ALA A 97 0.900 -3.516 6.849 1.00 0.00 C ATOM 621 O ALA A 97 0.789 -2.477 7.498 1.00 0.00 O ATOM 622 CB ALA A 97 -0.045 -3.552 4.605 1.00 0.00 C ATOM 0 H ALA A 97 1.946 -5.105 4.329 1.00 0.00 H new ATOM 0 HA ALA A 97 1.758 -2.524 5.155 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.726 -2.768 4.934 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.167 -3.426 3.543 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.506 -4.526 4.770 1.00 0.00 H new ATOM 628 N VAL A 98 0.714 -4.734 7.386 1.00 0.00 N ATOM 629 CA VAL A 98 0.240 -4.890 8.722 1.00 0.00 C ATOM 630 C VAL A 98 1.413 -5.240 9.580 1.00 0.00 C ATOM 631 O VAL A 98 1.541 -4.757 10.704 1.00 0.00 O ATOM 632 CB VAL A 98 -0.729 -6.037 8.855 1.00 0.00 C ATOM 633 CG1 VAL A 98 -1.786 -5.676 9.913 1.00 0.00 C ATOM 634 CG2 VAL A 98 -1.333 -6.424 7.489 1.00 0.00 C ATOM 0 H VAL A 98 0.892 -5.610 6.894 1.00 0.00 H new ATOM 0 HA VAL A 98 -0.256 -3.963 9.009 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.207 -6.930 9.198 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.493 -6.499 10.017 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -1.296 -5.495 10.870 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.319 -4.777 9.603 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.027 -7.254 7.620 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.864 -5.569 7.071 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.535 -6.723 6.810 1.00 0.00 H new ATOM 644 N ARG A 99 2.277 -6.131 9.053 1.00 0.00 N ATOM 645 CA ARG A 99 3.225 -6.850 9.852 1.00 0.00 C ATOM 646 C ARG A 99 4.527 -6.096 9.943 1.00 0.00 C ATOM 647 O ARG A 99 5.250 -6.268 10.923 1.00 0.00 O ATOM 648 CB ARG A 99 3.517 -8.289 9.349 1.00 0.00 C ATOM 649 CG ARG A 99 2.315 -9.269 9.341 1.00 0.00 C ATOM 650 CD ARG A 99 1.363 -9.245 8.126 1.00 0.00 C ATOM 651 NE ARG A 99 0.464 -10.437 8.192 1.00 0.00 N ATOM 652 CZ ARG A 99 -0.701 -10.451 8.907 1.00 0.00 C ATOM 653 NH1 ARG A 99 -1.085 -9.381 9.658 1.00 0.00 N ATOM 654 NH2 ARG A 99 -1.497 -11.562 8.865 1.00 0.00 N ATOM 0 H ARG A 99 2.318 -6.355 8.059 1.00 0.00 H new ATOM 0 HA ARG A 99 2.759 -6.939 10.833 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.913 -8.224 8.335 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.303 -8.716 9.971 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.710 -10.281 9.435 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.721 -9.074 10.234 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.774 -8.328 8.127 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.935 -9.255 7.198 1.00 0.00 H new ATOM 0 HE ARG A 99 0.732 -11.278 7.681 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.499 -8.547 9.695 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -1.959 -9.414 10.183 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -1.219 -12.368 8.305 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -2.369 -11.585 9.394 1.00 0.00 H new ATOM 668 N ASP A 100 4.853 -5.233 8.946 1.00 0.00 N ATOM 669 CA ASP A 100 6.007 -4.367 8.991 1.00 0.00 C ATOM 670 C ASP A 100 5.580 -2.929 8.808 1.00 0.00 C ATOM 671 O ASP A 100 5.803 -2.373 7.738 1.00 0.00 O ATOM 672 CB ASP A 100 6.988 -4.696 7.852 1.00 0.00 C ATOM 673 CG ASP A 100 8.389 -4.157 8.128 1.00 0.00 C ATOM 674 OD1 ASP A 100 8.603 -3.523 9.195 1.00 0.00 O ATOM 675 OD2 ASP A 100 9.271 -4.377 7.256 1.00 0.00 O ATOM 0 H ASP A 100 4.303 -5.136 8.092 1.00 0.00 H new ATOM 0 HA ASP A 100 6.488 -4.516 9.957 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.036 -5.776 7.716 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.615 -4.274 6.919 1.00 0.00 H new ATOM 680 N PRO A 101 4.983 -2.266 9.766 1.00 0.00 N ATOM 681 CA PRO A 101 4.377 -0.974 9.585 1.00 0.00 C ATOM 682 C PRO A 101 5.434 0.089 9.534 1.00 0.00 C ATOM 683 O PRO A 101 5.083 1.238 9.288 1.00 0.00 O ATOM 684 CB PRO A 101 3.482 -0.780 10.811 1.00 0.00 C ATOM 685 CG PRO A 101 4.058 -1.728 11.867 1.00 0.00 C ATOM 686 CD PRO A 101 4.650 -2.858 11.032 1.00 0.00 C ATOM 0 HA PRO A 101 3.813 -0.909 8.654 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.500 0.254 11.155 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.444 -1.022 10.586 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.816 -1.238 12.478 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.287 -2.090 12.547 1.00 0.00 H new ATOM 0 HD2 PRO A 101 5.533 -3.280 11.512 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.935 -3.671 10.909 1.00 0.00 H new ATOM 694 N GLN A 102 6.716 -0.265 9.755 1.00 0.00 N ATOM 695 CA GLN A 102 7.798 0.656 9.611 1.00 0.00 C ATOM 696 C GLN A 102 7.977 0.899 8.148 1.00 0.00 C ATOM 697 O GLN A 102 8.081 2.045 7.716 1.00 0.00 O ATOM 698 CB GLN A 102 9.120 0.095 10.182 1.00 0.00 C ATOM 699 CG GLN A 102 10.343 1.008 9.998 1.00 0.00 C ATOM 700 CD GLN A 102 10.088 2.352 10.681 1.00 0.00 C ATOM 701 OE1 GLN A 102 9.808 2.418 11.884 1.00 0.00 O ATOM 702 NE2 GLN A 102 10.198 3.449 9.872 1.00 0.00 N ATOM 0 H GLN A 102 7.002 -1.203 10.037 1.00 0.00 H new ATOM 0 HA GLN A 102 7.563 1.568 10.160 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.986 -0.099 11.246 1.00 0.00 H new ATOM 0 HB3 GLN A 102 9.326 -0.864 9.707 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.229 0.536 10.422 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.540 1.160 8.937 1.00 0.00 H new ATOM 0 HE21 GLN A 102 10.432 3.334 8.886 1.00 0.00 H new ATOM 0 HE22 GLN A 102 10.046 4.382 10.255 1.00 0.00 H new ATOM 711 N ALA A 103 8.013 -0.188 7.348 1.00 0.00 N ATOM 712 CA ALA A 103 8.346 -0.081 5.966 1.00 0.00 C ATOM 713 C ALA A 103 7.096 0.265 5.233 1.00 0.00 C ATOM 714 O ALA A 103 7.144 1.020 4.261 1.00 0.00 O ATOM 715 CB ALA A 103 8.931 -1.383 5.406 1.00 0.00 C ATOM 0 H ALA A 103 7.811 -1.137 7.663 1.00 0.00 H new ATOM 0 HA ALA A 103 9.111 0.685 5.842 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.168 -1.251 4.350 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.839 -1.639 5.953 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.202 -2.186 5.516 1.00 0.00 H new ATOM 721 N PHE A 104 5.939 -0.261 5.703 1.00 0.00 N ATOM 722 CA PHE A 104 4.678 0.192 5.169 1.00 0.00 C ATOM 723 C PHE A 104 4.512 1.680 5.229 1.00 0.00 C ATOM 724 O PHE A 104 4.059 2.267 4.252 1.00 0.00 O ATOM 725 CB PHE A 104 3.465 -0.363 5.917 1.00 0.00 C ATOM 726 CG PHE A 104 2.184 -0.018 5.221 1.00 0.00 C ATOM 727 CD1 PHE A 104 1.977 -0.302 3.879 1.00 0.00 C ATOM 728 CD2 PHE A 104 1.141 0.501 5.963 1.00 0.00 C ATOM 729 CE1 PHE A 104 0.745 -0.088 3.298 1.00 0.00 C ATOM 730 CE2 PHE A 104 -0.099 0.700 5.386 1.00 0.00 C ATOM 731 CZ PHE A 104 -0.298 0.406 4.054 1.00 0.00 C ATOM 0 H PHE A 104 5.874 -0.976 6.428 1.00 0.00 H new ATOM 0 HA PHE A 104 4.712 -0.169 4.141 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.553 -1.446 6.002 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.448 0.036 6.931 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.788 -0.694 3.284 1.00 0.00 H new ATOM 0 HD2 PHE A 104 1.296 0.753 7.002 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.596 -0.307 2.251 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -0.914 1.087 5.980 1.00 0.00 H new ATOM 0 HZ PHE A 104 -1.267 0.562 3.604 1.00 0.00 H new ATOM 741 N GLU A 105 4.860 2.327 6.362 1.00 0.00 N ATOM 742 CA GLU A 105 4.603 3.734 6.531 1.00 0.00 C ATOM 743 C GLU A 105 5.454 4.558 5.605 1.00 0.00 C ATOM 744 O GLU A 105 5.054 5.647 5.205 1.00 0.00 O ATOM 745 CB GLU A 105 4.863 4.206 7.974 1.00 0.00 C ATOM 746 CG GLU A 105 4.272 5.584 8.293 1.00 0.00 C ATOM 747 CD GLU A 105 4.566 5.906 9.751 1.00 0.00 C ATOM 748 OE1 GLU A 105 4.080 5.153 10.637 1.00 0.00 O ATOM 749 OE2 GLU A 105 5.282 6.914 9.999 1.00 0.00 O ATOM 0 H GLU A 105 5.317 1.881 7.158 1.00 0.00 H new ATOM 0 HA GLU A 105 3.548 3.875 6.296 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.446 3.474 8.666 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.939 4.234 8.149 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.706 6.343 7.642 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.197 5.587 8.113 1.00 0.00 H new ATOM 756 N GLN A 106 6.642 4.046 5.229 1.00 0.00 N ATOM 757 CA GLN A 106 7.533 4.723 4.327 1.00 0.00 C ATOM 758 C GLN A 106 6.989 4.702 2.932 1.00 0.00 C ATOM 759 O GLN A 106 7.106 5.684 2.199 1.00 0.00 O ATOM 760 CB GLN A 106 8.896 4.019 4.262 1.00 0.00 C ATOM 761 CG GLN A 106 9.731 4.243 5.527 1.00 0.00 C ATOM 762 CD GLN A 106 10.952 3.325 5.483 1.00 0.00 C ATOM 763 OE1 GLN A 106 11.267 2.716 4.453 1.00 0.00 O ATOM 764 NE2 GLN A 106 11.648 3.230 6.656 1.00 0.00 N ATOM 0 H GLN A 106 6.993 3.146 5.556 1.00 0.00 H new ATOM 0 HA GLN A 106 7.636 5.742 4.701 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.743 2.950 4.116 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.449 4.383 3.396 1.00 0.00 H new ATOM 0 HG2 GLN A 106 10.045 5.285 5.592 1.00 0.00 H new ATOM 0 HG3 GLN A 106 9.134 4.034 6.415 1.00 0.00 H new ATOM 0 HE21 GLN A 106 11.342 3.756 7.475 1.00 0.00 H new ATOM 0 HE22 GLN A 106 12.473 2.633 6.712 1.00 0.00 H new ATOM 773 N VAL A 107 6.382 3.564 2.545 1.00 0.00 N ATOM 774 CA VAL A 107 5.839 3.376 1.224 1.00 0.00 C ATOM 775 C VAL A 107 4.667 4.288 1.075 1.00 0.00 C ATOM 776 O VAL A 107 4.510 4.933 0.043 1.00 0.00 O ATOM 777 CB VAL A 107 5.412 1.940 0.974 1.00 0.00 C ATOM 778 CG1 VAL A 107 4.471 1.828 -0.244 1.00 0.00 C ATOM 779 CG2 VAL A 107 6.693 1.116 0.761 1.00 0.00 C ATOM 0 H VAL A 107 6.264 2.757 3.157 1.00 0.00 H new ATOM 0 HA VAL A 107 6.613 3.605 0.491 1.00 0.00 H new ATOM 0 HB VAL A 107 4.848 1.563 1.827 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.188 0.786 -0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.577 2.426 -0.069 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.983 2.193 -1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 107 6.429 0.074 0.578 1.00 0.00 H new ATOM 0 HG22 VAL A 107 7.240 1.508 -0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.319 1.180 1.651 1.00 0.00 H new ATOM 789 N VAL A 108 3.835 4.364 2.128 1.00 0.00 N ATOM 790 CA VAL A 108 2.638 5.148 2.176 1.00 0.00 C ATOM 791 C VAL A 108 2.981 6.599 2.082 1.00 0.00 C ATOM 792 O VAL A 108 2.281 7.358 1.419 1.00 0.00 O ATOM 793 CB VAL A 108 1.908 4.872 3.471 1.00 0.00 C ATOM 794 CG1 VAL A 108 0.926 5.993 3.842 1.00 0.00 C ATOM 795 CG2 VAL A 108 1.192 3.527 3.292 1.00 0.00 C ATOM 0 H VAL A 108 4.006 3.851 2.993 1.00 0.00 H new ATOM 0 HA VAL A 108 1.995 4.882 1.337 1.00 0.00 H new ATOM 0 HB VAL A 108 2.614 4.831 4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.428 5.745 4.780 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.470 6.930 3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.181 6.100 3.053 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.647 3.281 4.203 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.493 3.595 2.459 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.927 2.748 3.086 1.00 0.00 H new ATOM 805 N ASN A 109 4.076 7.006 2.747 1.00 0.00 N ATOM 806 CA ASN A 109 4.493 8.380 2.804 1.00 0.00 C ATOM 807 C ASN A 109 4.886 8.843 1.435 1.00 0.00 C ATOM 808 O ASN A 109 4.571 9.965 1.043 1.00 0.00 O ATOM 809 CB ASN A 109 5.694 8.576 3.751 1.00 0.00 C ATOM 810 CG ASN A 109 6.101 10.050 3.789 1.00 0.00 C ATOM 811 OD1 ASN A 109 5.284 10.930 4.087 1.00 0.00 O ATOM 812 ND2 ASN A 109 7.411 10.306 3.488 1.00 0.00 N ATOM 0 H ASN A 109 4.688 6.370 3.258 1.00 0.00 H new ATOM 0 HA ASN A 109 3.653 8.961 3.184 1.00 0.00 H new ATOM 0 HB2 ASN A 109 5.435 8.237 4.754 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.534 7.968 3.416 1.00 0.00 H new ATOM 0 HD21 ASN A 109 7.760 11.264 3.502 1.00 0.00 H new ATOM 0 HD22 ASN A 109 8.039 9.538 3.249 1.00 0.00 H new ATOM 819 N LYS A 110 5.578 7.974 0.671 1.00 0.00 N ATOM 820 CA LYS A 110 6.045 8.330 -0.639 1.00 0.00 C ATOM 821 C LYS A 110 4.904 8.364 -1.618 1.00 0.00 C ATOM 822 O LYS A 110 4.900 9.186 -2.530 1.00 0.00 O ATOM 823 CB LYS A 110 7.108 7.337 -1.142 1.00 0.00 C ATOM 824 CG LYS A 110 7.761 7.746 -2.469 1.00 0.00 C ATOM 825 CD LYS A 110 9.019 6.936 -2.816 1.00 0.00 C ATOM 826 CE LYS A 110 8.764 5.434 -2.954 1.00 0.00 C ATOM 827 NZ LYS A 110 9.981 4.743 -3.433 1.00 0.00 N ATOM 0 H LYS A 110 5.815 7.025 0.960 1.00 0.00 H new ATOM 0 HA LYS A 110 6.493 9.321 -0.565 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.884 7.234 -0.383 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.647 6.356 -1.262 1.00 0.00 H new ATOM 0 HG2 LYS A 110 7.033 7.631 -3.272 1.00 0.00 H new ATOM 0 HG3 LYS A 110 8.022 8.803 -2.424 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.436 7.312 -3.750 1.00 0.00 H new ATOM 0 HD3 LYS A 110 9.770 7.099 -2.043 1.00 0.00 H new ATOM 0 HE2 LYS A 110 8.459 5.021 -1.992 1.00 0.00 H new ATOM 0 HE3 LYS A 110 7.943 5.261 -3.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 9.790 3.724 -3.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 10.255 5.125 -4.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 10.755 4.893 -2.755 1.00 0.00 H new ATOM 841 N VAL A 111 3.913 7.465 -1.449 1.00 0.00 N ATOM 842 CA VAL A 111 2.799 7.289 -2.348 1.00 0.00 C ATOM 843 C VAL A 111 1.683 8.199 -1.968 1.00 0.00 C ATOM 844 O VAL A 111 0.697 8.305 -2.682 1.00 0.00 O ATOM 845 CB VAL A 111 2.402 5.815 -2.382 1.00 0.00 C ATOM 846 CG1 VAL A 111 1.026 5.513 -3.011 1.00 0.00 C ATOM 847 CG2 VAL A 111 3.507 5.102 -3.177 1.00 0.00 C ATOM 0 H VAL A 111 3.883 6.830 -0.651 1.00 0.00 H new ATOM 0 HA VAL A 111 3.080 7.565 -3.364 1.00 0.00 H new ATOM 0 HB VAL A 111 2.303 5.467 -1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.842 4.439 -2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.248 6.028 -2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 111 1.015 5.858 -4.045 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.282 4.037 -3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.560 5.520 -4.182 1.00 0.00 H new ATOM 0 HG23 VAL A 111 4.464 5.242 -2.675 1.00 0.00 H new ATOM 857 N LYS A 112 1.826 8.958 -0.878 1.00 0.00 N ATOM 858 CA LYS A 112 0.880 9.997 -0.611 1.00 0.00 C ATOM 859 C LYS A 112 1.180 11.115 -1.560 1.00 0.00 C ATOM 860 O LYS A 112 0.286 11.849 -1.979 1.00 0.00 O ATOM 861 CB LYS A 112 0.991 10.461 0.862 1.00 0.00 C ATOM 862 CG LYS A 112 0.128 11.669 1.266 1.00 0.00 C ATOM 863 CD LYS A 112 0.792 13.050 1.103 1.00 0.00 C ATOM 864 CE LYS A 112 1.648 13.505 2.295 1.00 0.00 C ATOM 865 NZ LYS A 112 2.916 12.748 2.389 1.00 0.00 N ATOM 0 H LYS A 112 2.575 8.862 -0.192 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.142 9.646 -0.754 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.726 9.622 1.505 1.00 0.00 H new ATOM 0 HB3 LYS A 112 2.034 10.703 1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.786 11.654 0.672 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -0.167 11.549 2.308 1.00 0.00 H new ATOM 0 HD2 LYS A 112 1.419 13.032 0.211 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.013 13.793 0.930 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.867 14.568 2.199 1.00 0.00 H new ATOM 0 HE3 LYS A 112 1.081 13.379 3.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 3.696 13.402 2.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 2.841 12.038 3.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 3.104 12.271 1.484 1.00 0.00 H new ATOM 879 N GLU A 113 2.464 11.255 -1.917 1.00 0.00 N ATOM 880 CA GLU A 113 2.959 12.367 -2.663 1.00 0.00 C ATOM 881 C GLU A 113 3.022 12.038 -4.105 1.00 0.00 C ATOM 882 O GLU A 113 2.910 12.903 -4.970 1.00 0.00 O ATOM 883 CB GLU A 113 4.400 12.631 -2.263 1.00 0.00 C ATOM 884 CG GLU A 113 4.488 13.029 -0.792 1.00 0.00 C ATOM 885 CD GLU A 113 5.937 13.289 -0.423 1.00 0.00 C ATOM 886 OE1 GLU A 113 6.752 12.332 -0.507 1.00 0.00 O ATOM 887 OE2 GLU A 113 6.249 14.450 -0.045 1.00 0.00 O ATOM 0 H GLU A 113 3.184 10.572 -1.679 1.00 0.00 H new ATOM 0 HA GLU A 113 2.300 13.213 -2.471 1.00 0.00 H new ATOM 0 HB2 GLU A 113 5.001 11.739 -2.440 1.00 0.00 H new ATOM 0 HB3 GLU A 113 4.816 13.424 -2.885 1.00 0.00 H new ATOM 0 HG2 GLU A 113 3.890 13.922 -0.609 1.00 0.00 H new ATOM 0 HG3 GLU A 113 4.079 12.237 -0.165 1.00 0.00 H new ATOM 894 N ALA A 114 3.213 10.743 -4.374 1.00 0.00 N ATOM 895 CA ALA A 114 3.184 10.207 -5.706 1.00 0.00 C ATOM 896 C ALA A 114 1.752 10.084 -6.119 1.00 0.00 C ATOM 897 O ALA A 114 1.443 10.123 -7.308 1.00 0.00 O ATOM 898 CB ALA A 114 3.827 8.821 -5.849 1.00 0.00 C ATOM 0 H ALA A 114 3.393 10.043 -3.654 1.00 0.00 H new ATOM 0 HA ALA A 114 3.762 10.890 -6.329 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.760 8.494 -6.887 1.00 0.00 H new ATOM 0 HB2 ALA A 114 4.874 8.873 -5.552 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.304 8.109 -5.210 1.00 0.00 H new ATOM 904 N LEU A 115 0.834 9.973 -5.136 1.00 0.00 N ATOM 905 CA LEU A 115 -0.576 10.060 -5.420 1.00 0.00 C ATOM 906 C LEU A 115 -0.820 11.492 -5.728 1.00 0.00 C ATOM 907 O LEU A 115 -1.601 11.823 -6.622 1.00 0.00 O ATOM 908 CB LEU A 115 -1.449 9.582 -4.255 1.00 0.00 C ATOM 909 CG LEU A 115 -2.945 9.770 -4.507 1.00 0.00 C ATOM 910 CD1 LEU A 115 -3.489 8.920 -5.670 1.00 0.00 C ATOM 911 CD2 LEU A 115 -3.742 9.493 -3.222 1.00 0.00 C ATOM 0 H LEU A 115 1.062 9.824 -4.153 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.846 9.406 -6.249 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -1.248 8.527 -4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.168 10.125 -3.352 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.075 10.810 -4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.556 9.106 -5.789 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.969 9.187 -6.590 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.327 7.864 -5.456 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -4.806 9.631 -3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -3.562 8.468 -2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.424 10.183 -2.441 1.00 0.00 H new ATOM 923 N GLN A 116 -0.099 12.349 -4.994 1.00 0.00 N ATOM 924 CA GLN A 116 -0.144 13.774 -5.164 1.00 0.00 C ATOM 925 C GLN A 116 -1.491 14.258 -4.738 1.00 0.00 C ATOM 926 O GLN A 116 -2.198 14.963 -5.458 1.00 0.00 O ATOM 927 CB GLN A 116 0.260 14.269 -6.572 1.00 0.00 C ATOM 928 CG GLN A 116 0.693 15.740 -6.613 1.00 0.00 C ATOM 929 CD GLN A 116 1.094 16.064 -8.050 1.00 0.00 C ATOM 930 OE1 GLN A 116 2.127 15.596 -8.546 1.00 0.00 O ATOM 931 NE2 GLN A 116 0.240 16.890 -8.727 1.00 0.00 N ATOM 0 H GLN A 116 0.538 12.048 -4.257 1.00 0.00 H new ATOM 0 HA GLN A 116 0.623 14.212 -4.526 1.00 0.00 H new ATOM 0 HB2 GLN A 116 1.076 13.650 -6.944 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -0.581 14.129 -7.251 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -0.121 16.388 -6.287 1.00 0.00 H new ATOM 0 HG3 GLN A 116 1.528 15.912 -5.934 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -0.598 17.246 -8.266 1.00 0.00 H new ATOM 0 HE22 GLN A 116 0.441 17.150 -9.693 1.00 0.00 H new ATOM 940 N VAL A 117 -1.843 13.877 -3.495 1.00 0.00 N ATOM 941 CA VAL A 117 -2.946 14.414 -2.758 1.00 0.00 C ATOM 942 C VAL A 117 -2.244 15.316 -1.794 1.00 0.00 C ATOM 943 O VAL A 117 -2.859 16.132 -1.105 1.00 0.00 O ATOM 944 CB VAL A 117 -3.758 13.306 -2.108 1.00 0.00 C ATOM 945 CG1 VAL A 117 -4.527 13.759 -0.853 1.00 0.00 C ATOM 946 CG2 VAL A 117 -4.729 12.816 -3.195 1.00 0.00 C ATOM 0 H VAL A 117 -1.333 13.160 -2.980 1.00 0.00 H new ATOM 0 HA VAL A 117 -3.693 14.944 -3.348 1.00 0.00 H new ATOM 0 HB VAL A 117 -3.092 12.520 -1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -5.083 12.916 -0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -3.822 14.126 -0.107 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -5.221 14.556 -1.119 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -5.348 12.013 -2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -5.366 13.642 -3.513 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -4.162 12.445 -4.049 1.00 0.00 H new ATOM 956 N GLN A 118 -0.895 15.218 -1.803 1.00 0.00 N ATOM 957 CA GLN A 118 -0.055 16.114 -1.045 1.00 0.00 C ATOM 958 C GLN A 118 -0.387 17.581 -1.336 1.00 0.00 C ATOM 959 O GLN A 118 -0.813 17.902 -2.479 1.00 0.00 O ATOM 960 CB GLN A 118 1.462 15.943 -1.293 1.00 0.00 C ATOM 961 CG GLN A 118 1.938 16.398 -2.682 1.00 0.00 C ATOM 962 CD GLN A 118 3.447 16.188 -2.803 1.00 0.00 C ATOM 963 OE1 GLN A 118 4.201 16.343 -1.836 1.00 0.00 O ATOM 964 NE2 GLN A 118 3.886 15.844 -4.052 1.00 0.00 N ATOM 965 OXT GLN A 118 -0.212 18.407 -0.400 1.00 0.00 O ATOM 0 H GLN A 118 -0.382 14.516 -2.337 1.00 0.00 H new ATOM 0 HA GLN A 118 -0.270 15.847 -0.010 1.00 0.00 H new ATOM 0 HB2 GLN A 118 2.007 16.505 -0.534 1.00 0.00 H new ATOM 0 HB3 GLN A 118 1.723 14.893 -1.160 1.00 0.00 H new ATOM 0 HG2 GLN A 118 1.419 15.835 -3.458 1.00 0.00 H new ATOM 0 HG3 GLN A 118 1.694 17.449 -2.835 1.00 0.00 H new ATOM 0 HE21 GLN A 118 3.218 15.729 -4.814 1.00 0.00 H new ATOM 0 HE22 GLN A 118 4.882 15.702 -4.221 1.00 0.00 H new TER 974 GLN A 118