USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 505 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 51 MET CE :methyl -138:sc= 0 (180deg=-0.784) USER MOD Set 1.2: A 53 SER OG : rot -110:sc= -1.41! USER MOD Single : A 5 HIS : no HD1:sc= -0.197 X(o=-0.2,f=-0.58) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.251 K(o=-0.25,f=-13!) USER MOD Single : A 11 GLN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 13 SER OG : rot 91:sc= -0.377 USER MOD Single : A 14 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-0.36) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -3.01! K(o=-3!,f=-1.6) USER MOD Single : A 24 TYR OH : rot 180:sc=-0.00928 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -1.99! K(o=-2!,f=-0.8) USER MOD Single : A 32 ASN : amide:sc= -0.026 K(o=-0.026,f=-1.6) USER MOD Single : A 34 SER OG : rot 180:sc= -0.01 USER MOD Single : A 37 GLN : amide:sc= -2.18! K(o=-2.2!,f=-0.0066) USER MOD Single : A 40 GLN : amide:sc= -2.76! C(o=-2.8!,f=-1.3!) USER MOD Single : A 44 ASN : amide:sc= -0.0196 K(o=-0.02,f=-1.1) USER MOD Single : A 45 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0159) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 6:sc= 0.906 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 150:sc= 1.27 (180deg=1.25) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -130:sc= -0.33 (180deg=-2.67!) USER MOD Single : A 65 LYS NZ :NH3+ -174:sc=-0.00508 (180deg=-0.0508) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL A 4 10.327 0.021 -2.214 1.00 0.00 N ATOM 45 CA VAL A 4 9.123 -0.797 -2.130 1.00 0.00 C ATOM 46 C VAL A 4 9.183 -2.050 -3.006 1.00 0.00 C ATOM 47 O VAL A 4 8.599 -3.070 -2.682 1.00 0.00 O ATOM 48 CB VAL A 4 7.849 0.025 -2.455 1.00 0.00 C ATOM 49 CG1 VAL A 4 7.867 1.319 -1.707 1.00 0.00 C ATOM 50 CG2 VAL A 4 7.732 0.308 -3.915 1.00 0.00 C ATOM 0 HA VAL A 4 9.069 -1.133 -1.094 1.00 0.00 H new ATOM 0 HB VAL A 4 6.990 -0.572 -2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.968 1.888 -1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.900 1.120 -0.636 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.747 1.894 -1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.827 0.886 -4.102 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.601 0.877 -4.246 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.683 -0.632 -4.465 1.00 0.00 H new ATOM 60 N HIS A 5 9.919 -1.979 -4.080 1.00 0.00 N ATOM 61 CA HIS A 5 10.022 -3.089 -5.006 1.00 0.00 C ATOM 62 C HIS A 5 10.897 -4.218 -4.437 1.00 0.00 C ATOM 63 O HIS A 5 10.939 -5.318 -4.972 1.00 0.00 O ATOM 64 CB HIS A 5 10.516 -2.607 -6.381 1.00 0.00 C ATOM 65 CG HIS A 5 11.734 -1.750 -6.338 1.00 0.00 C ATOM 66 ND1 HIS A 5 11.686 -0.375 -6.298 1.00 0.00 N ATOM 67 CD2 HIS A 5 13.043 -2.083 -6.299 1.00 0.00 C ATOM 68 CE1 HIS A 5 12.922 0.073 -6.228 1.00 0.00 C ATOM 69 NE2 HIS A 5 13.798 -0.923 -6.229 1.00 0.00 N ATOM 0 H HIS A 5 10.464 -1.158 -4.344 1.00 0.00 H new ATOM 0 HA HIS A 5 9.026 -3.509 -5.146 1.00 0.00 H new ATOM 0 HB2 HIS A 5 10.722 -3.478 -7.004 1.00 0.00 H new ATOM 0 HB3 HIS A 5 9.714 -2.051 -6.866 1.00 0.00 H new ATOM 0 HD2 HIS A 5 13.436 -3.089 -6.319 1.00 0.00 H new ATOM 0 HE1 HIS A 5 13.189 1.118 -6.176 1.00 0.00 H new ATOM 0 HE2 HIS A 5 14.815 -0.850 -6.187 1.00 0.00 H new ATOM 77 N GLU A 6 11.565 -3.927 -3.324 1.00 0.00 N ATOM 78 CA GLU A 6 12.410 -4.904 -2.641 1.00 0.00 C ATOM 79 C GLU A 6 11.568 -5.661 -1.605 1.00 0.00 C ATOM 80 O GLU A 6 12.011 -6.649 -1.013 1.00 0.00 O ATOM 81 CB GLU A 6 13.554 -4.189 -1.913 1.00 0.00 C ATOM 82 CG GLU A 6 14.336 -3.208 -2.774 1.00 0.00 C ATOM 83 CD GLU A 6 15.437 -2.518 -2.007 1.00 0.00 C ATOM 84 OE1 GLU A 6 15.145 -1.686 -1.128 1.00 0.00 O ATOM 85 OE2 GLU A 6 16.621 -2.800 -2.264 1.00 0.00 O ATOM 0 H GLU A 6 11.537 -3.013 -2.872 1.00 0.00 H new ATOM 0 HA GLU A 6 12.820 -5.596 -3.377 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.144 -3.654 -1.056 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.243 -4.938 -1.521 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.766 -3.738 -3.624 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.654 -2.459 -3.177 1.00 0.00 H new ATOM 92 N TRP A 7 10.362 -5.170 -1.389 1.00 0.00 N ATOM 93 CA TRP A 7 9.446 -5.709 -0.405 1.00 0.00 C ATOM 94 C TRP A 7 8.693 -6.869 -0.979 1.00 0.00 C ATOM 95 O TRP A 7 8.194 -6.795 -2.101 1.00 0.00 O ATOM 96 CB TRP A 7 8.452 -4.639 0.022 1.00 0.00 C ATOM 97 CG TRP A 7 9.091 -3.417 0.626 1.00 0.00 C ATOM 98 CD1 TRP A 7 10.396 -3.262 1.013 1.00 0.00 C ATOM 99 CD2 TRP A 7 8.446 -2.195 0.936 1.00 0.00 C ATOM 100 NE1 TRP A 7 10.589 -2.021 1.520 1.00 0.00 N ATOM 101 CE2 TRP A 7 9.413 -1.342 1.491 1.00 0.00 C ATOM 102 CE3 TRP A 7 7.144 -1.734 0.795 1.00 0.00 C ATOM 103 CZ2 TRP A 7 9.121 -0.061 1.901 1.00 0.00 C ATOM 104 CZ3 TRP A 7 6.853 -0.459 1.202 1.00 0.00 C ATOM 105 CH2 TRP A 7 7.840 0.367 1.753 1.00 0.00 C ATOM 0 H TRP A 7 9.987 -4.372 -1.902 1.00 0.00 H new ATOM 0 HA TRP A 7 10.024 -6.041 0.458 1.00 0.00 H new ATOM 0 HB2 TRP A 7 7.863 -4.338 -0.844 1.00 0.00 H new ATOM 0 HB3 TRP A 7 7.759 -5.069 0.745 1.00 0.00 H new ATOM 0 HD1 TRP A 7 11.160 -4.020 0.926 1.00 0.00 H new ATOM 0 HE1 TRP A 7 11.475 -1.655 1.868 1.00 0.00 H new ATOM 0 HE3 TRP A 7 6.377 -2.367 0.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 9.881 0.579 2.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 5.846 -0.085 1.096 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.577 1.366 2.067 1.00 0.00 H new ATOM 116 N SER A 8 8.584 -7.914 -0.216 1.00 0.00 N ATOM 117 CA SER A 8 7.920 -9.099 -0.659 1.00 0.00 C ATOM 118 C SER A 8 6.446 -9.080 -0.242 1.00 0.00 C ATOM 119 O SER A 8 5.560 -8.932 -1.068 1.00 0.00 O ATOM 120 CB SER A 8 8.627 -10.294 -0.062 1.00 0.00 C ATOM 121 OG SER A 8 10.019 -10.237 -0.324 1.00 0.00 O ATOM 0 H SER A 8 8.954 -7.968 0.733 1.00 0.00 H new ATOM 0 HA SER A 8 7.953 -9.156 -1.747 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.456 -10.324 1.014 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.212 -11.213 -0.476 1.00 0.00 H new ATOM 0 HG SER A 8 10.459 -11.018 0.072 1.00 0.00 H new ATOM 127 N VAL A 9 6.202 -9.209 1.046 1.00 0.00 N ATOM 128 CA VAL A 9 4.840 -9.215 1.598 1.00 0.00 C ATOM 129 C VAL A 9 4.881 -8.502 2.936 1.00 0.00 C ATOM 130 O VAL A 9 4.308 -7.444 3.110 1.00 0.00 O ATOM 131 CB VAL A 9 4.292 -10.670 1.826 1.00 0.00 C ATOM 132 CG1 VAL A 9 2.885 -10.629 2.393 1.00 0.00 C ATOM 133 CG2 VAL A 9 4.295 -11.480 0.542 1.00 0.00 C ATOM 0 H VAL A 9 6.934 -9.313 1.749 1.00 0.00 H new ATOM 0 HA VAL A 9 4.179 -8.721 0.886 1.00 0.00 H new ATOM 0 HB VAL A 9 4.958 -11.155 2.539 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.524 -11.646 2.544 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.892 -10.102 3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.227 -10.110 1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.909 -12.480 0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.665 -10.989 -0.199 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.313 -11.554 0.161 1.00 0.00 H new ATOM 143 N GLN A 10 5.641 -9.078 3.842 1.00 0.00 N ATOM 144 CA GLN A 10 5.852 -8.567 5.203 1.00 0.00 C ATOM 145 C GLN A 10 6.275 -7.074 5.203 1.00 0.00 C ATOM 146 O GLN A 10 5.835 -6.279 6.025 1.00 0.00 O ATOM 147 CB GLN A 10 6.947 -9.425 5.915 1.00 0.00 C ATOM 148 CG GLN A 10 8.394 -9.277 5.361 1.00 0.00 C ATOM 149 CD GLN A 10 8.571 -9.672 3.885 1.00 0.00 C ATOM 150 OE1 GLN A 10 8.407 -8.842 2.962 1.00 0.00 O ATOM 151 NE2 GLN A 10 8.897 -10.890 3.642 1.00 0.00 N ATOM 0 H GLN A 10 6.150 -9.942 3.658 1.00 0.00 H new ATOM 0 HA GLN A 10 4.906 -8.641 5.740 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.955 -9.163 6.973 1.00 0.00 H new ATOM 0 HB3 GLN A 10 6.659 -10.474 5.849 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.709 -8.241 5.484 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.063 -9.888 5.967 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.025 -11.547 4.412 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.028 -11.200 2.679 1.00 0.00 H new ATOM 160 N GLN A 11 7.079 -6.708 4.233 1.00 0.00 N ATOM 161 CA GLN A 11 7.652 -5.394 4.158 1.00 0.00 C ATOM 162 C GLN A 11 6.675 -4.339 3.625 1.00 0.00 C ATOM 163 O GLN A 11 6.840 -3.152 3.889 1.00 0.00 O ATOM 164 CB GLN A 11 8.936 -5.425 3.339 1.00 0.00 C ATOM 165 CG GLN A 11 10.122 -6.110 3.997 1.00 0.00 C ATOM 166 CD GLN A 11 11.397 -5.934 3.188 1.00 0.00 C ATOM 167 OE1 GLN A 11 12.137 -4.970 3.379 1.00 0.00 O ATOM 168 NE2 GLN A 11 11.674 -6.852 2.293 1.00 0.00 N ATOM 0 H GLN A 11 7.354 -7.324 3.468 1.00 0.00 H new ATOM 0 HA GLN A 11 7.889 -5.091 5.178 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.730 -5.926 2.393 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.218 -4.399 3.102 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.267 -5.703 4.998 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.909 -7.173 4.113 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.041 -7.640 2.158 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.523 -6.778 1.732 1.00 0.00 H new ATOM 177 N VAL A 12 5.625 -4.772 2.932 1.00 0.00 N ATOM 178 CA VAL A 12 4.651 -3.827 2.354 1.00 0.00 C ATOM 179 C VAL A 12 3.831 -3.197 3.481 1.00 0.00 C ATOM 180 O VAL A 12 3.306 -2.083 3.359 1.00 0.00 O ATOM 181 CB VAL A 12 3.689 -4.534 1.337 1.00 0.00 C ATOM 182 CG1 VAL A 12 2.530 -5.271 2.010 1.00 0.00 C ATOM 183 CG2 VAL A 12 3.195 -3.571 0.284 1.00 0.00 C ATOM 0 H VAL A 12 5.421 -5.755 2.754 1.00 0.00 H new ATOM 0 HA VAL A 12 5.203 -3.060 1.812 1.00 0.00 H new ATOM 0 HB VAL A 12 4.285 -5.301 0.843 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.904 -5.737 1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.925 -6.039 2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.934 -4.563 2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.531 -4.094 -0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.653 -2.755 0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.044 -3.168 -0.267 1.00 0.00 H new ATOM 193 N SER A 13 3.791 -3.896 4.609 1.00 0.00 N ATOM 194 CA SER A 13 3.004 -3.480 5.719 1.00 0.00 C ATOM 195 C SER A 13 3.653 -2.282 6.412 1.00 0.00 C ATOM 196 O SER A 13 2.951 -1.442 6.967 1.00 0.00 O ATOM 197 CB SER A 13 2.814 -4.656 6.669 1.00 0.00 C ATOM 198 OG SER A 13 2.664 -5.859 5.903 1.00 0.00 O ATOM 0 H SER A 13 4.308 -4.762 4.761 1.00 0.00 H new ATOM 0 HA SER A 13 2.021 -3.157 5.377 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.670 -4.741 7.338 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.935 -4.496 7.294 1.00 0.00 H new ATOM 0 HG SER A 13 3.542 -6.273 5.769 1.00 0.00 H new ATOM 204 N HIS A 14 4.992 -2.167 6.288 1.00 0.00 N ATOM 205 CA HIS A 14 5.743 -1.068 6.916 1.00 0.00 C ATOM 206 C HIS A 14 5.260 0.264 6.384 1.00 0.00 C ATOM 207 O HIS A 14 5.079 1.213 7.147 1.00 0.00 O ATOM 208 CB HIS A 14 7.267 -1.179 6.685 1.00 0.00 C ATOM 209 CG HIS A 14 7.927 -2.417 7.228 1.00 0.00 C ATOM 210 ND1 HIS A 14 7.713 -2.923 8.490 1.00 0.00 N ATOM 211 CD2 HIS A 14 8.823 -3.252 6.641 1.00 0.00 C ATOM 212 CE1 HIS A 14 8.461 -4.011 8.634 1.00 0.00 C ATOM 213 NE2 HIS A 14 9.163 -4.263 7.534 1.00 0.00 N ATOM 0 H HIS A 14 5.570 -2.821 5.760 1.00 0.00 H new ATOM 0 HA HIS A 14 5.562 -1.139 7.988 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.457 -1.131 5.613 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.747 -0.309 7.133 1.00 0.00 H new ATOM 0 HD2 HIS A 14 9.211 -3.147 5.638 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.494 -4.613 9.530 1.00 0.00 H new ATOM 0 HE2 HIS A 14 9.813 -5.034 7.378 1.00 0.00 H new ATOM 221 N TRP A 15 5.040 0.315 5.078 1.00 0.00 N ATOM 222 CA TRP A 15 4.524 1.498 4.434 1.00 0.00 C ATOM 223 C TRP A 15 3.144 1.800 4.955 1.00 0.00 C ATOM 224 O TRP A 15 2.947 2.837 5.562 1.00 0.00 O ATOM 225 CB TRP A 15 4.534 1.328 2.901 1.00 0.00 C ATOM 226 CG TRP A 15 3.728 2.339 2.127 1.00 0.00 C ATOM 227 CD1 TRP A 15 3.994 3.666 1.947 1.00 0.00 C ATOM 228 CD2 TRP A 15 2.528 2.072 1.401 1.00 0.00 C ATOM 229 NE1 TRP A 15 2.999 4.241 1.174 1.00 0.00 N ATOM 230 CE2 TRP A 15 2.098 3.280 0.828 1.00 0.00 C ATOM 231 CE3 TRP A 15 1.768 0.924 1.191 1.00 0.00 C ATOM 232 CZ2 TRP A 15 0.939 3.364 0.061 1.00 0.00 C ATOM 233 CZ3 TRP A 15 0.632 1.018 0.427 1.00 0.00 C ATOM 234 CH2 TRP A 15 0.232 2.220 -0.121 1.00 0.00 C ATOM 0 H TRP A 15 5.216 -0.464 4.443 1.00 0.00 H new ATOM 0 HA TRP A 15 5.166 2.347 4.668 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.567 1.372 2.556 1.00 0.00 H new ATOM 0 HB3 TRP A 15 4.160 0.332 2.662 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.851 4.188 2.347 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.949 5.224 0.907 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.067 -0.021 1.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.616 4.300 -0.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 0.039 0.133 0.251 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.671 2.251 -0.713 1.00 0.00 H new ATOM 245 N LEU A 16 2.229 0.841 4.780 1.00 0.00 N ATOM 246 CA LEU A 16 0.820 0.960 5.179 1.00 0.00 C ATOM 247 C LEU A 16 0.665 1.493 6.596 1.00 0.00 C ATOM 248 O LEU A 16 -0.038 2.472 6.819 1.00 0.00 O ATOM 249 CB LEU A 16 0.140 -0.396 5.070 1.00 0.00 C ATOM 250 CG LEU A 16 -0.043 -0.956 3.651 1.00 0.00 C ATOM 251 CD1 LEU A 16 -0.298 -2.437 3.692 1.00 0.00 C ATOM 252 CD2 LEU A 16 -1.217 -0.288 2.967 1.00 0.00 C ATOM 0 H LEU A 16 2.450 -0.057 4.349 1.00 0.00 H new ATOM 0 HA LEU A 16 0.349 1.675 4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.718 -1.116 5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.842 -0.325 5.538 1.00 0.00 H new ATOM 0 HG LEU A 16 0.874 -0.757 3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.425 -2.813 2.677 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.548 -2.939 4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.202 -2.635 4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.333 -0.696 1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.125 -0.472 3.541 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.039 0.786 2.904 1.00 0.00 H new ATOM 264 N VAL A 17 1.356 0.886 7.538 1.00 0.00 N ATOM 265 CA VAL A 17 1.258 1.276 8.940 1.00 0.00 C ATOM 266 C VAL A 17 1.724 2.738 9.149 1.00 0.00 C ATOM 267 O VAL A 17 1.218 3.442 10.021 1.00 0.00 O ATOM 268 CB VAL A 17 2.072 0.308 9.843 1.00 0.00 C ATOM 269 CG1 VAL A 17 2.002 0.706 11.313 1.00 0.00 C ATOM 270 CG2 VAL A 17 1.602 -1.129 9.679 1.00 0.00 C ATOM 0 H VAL A 17 1.998 0.114 7.362 1.00 0.00 H new ATOM 0 HA VAL A 17 0.209 1.213 9.228 1.00 0.00 H new ATOM 0 HB VAL A 17 3.110 0.380 9.518 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.584 0.003 11.908 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.407 1.710 11.438 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.964 0.690 11.645 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.192 -1.780 10.324 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.550 -1.201 9.954 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.727 -1.437 8.641 1.00 0.00 H new ATOM 280 N GLY A 18 2.599 3.206 8.279 1.00 0.00 N ATOM 281 CA GLY A 18 3.144 4.542 8.399 1.00 0.00 C ATOM 282 C GLY A 18 2.116 5.603 8.075 1.00 0.00 C ATOM 283 O GLY A 18 2.162 6.706 8.602 1.00 0.00 O ATOM 0 H GLY A 18 2.948 2.677 7.479 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.514 4.693 9.413 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.997 4.647 7.729 1.00 0.00 H new ATOM 287 N LEU A 19 1.176 5.272 7.218 1.00 0.00 N ATOM 288 CA LEU A 19 0.116 6.204 6.882 1.00 0.00 C ATOM 289 C LEU A 19 -1.194 5.810 7.557 1.00 0.00 C ATOM 290 O LEU A 19 -2.261 6.317 7.196 1.00 0.00 O ATOM 291 CB LEU A 19 -0.075 6.361 5.354 1.00 0.00 C ATOM 292 CG LEU A 19 -0.191 5.082 4.519 1.00 0.00 C ATOM 293 CD1 LEU A 19 -1.028 5.316 3.299 1.00 0.00 C ATOM 294 CD2 LEU A 19 1.165 4.632 4.071 1.00 0.00 C ATOM 0 H LEU A 19 1.121 4.371 6.742 1.00 0.00 H new ATOM 0 HA LEU A 19 0.423 7.178 7.264 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.974 6.954 5.187 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.765 6.939 4.968 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.657 4.321 5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.096 4.394 2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.028 5.631 3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.570 6.094 2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.069 3.722 3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.626 5.412 3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.789 4.433 4.943 1.00 0.00 H new ATOM 306 N SER A 20 -1.096 4.933 8.569 1.00 0.00 N ATOM 307 CA SER A 20 -2.258 4.424 9.311 1.00 0.00 C ATOM 308 C SER A 20 -3.208 3.630 8.396 1.00 0.00 C ATOM 309 O SER A 20 -4.427 3.587 8.588 1.00 0.00 O ATOM 310 CB SER A 20 -2.968 5.557 10.058 1.00 0.00 C ATOM 311 OG SER A 20 -2.081 6.150 11.002 1.00 0.00 O ATOM 0 H SER A 20 -0.206 4.557 8.896 1.00 0.00 H new ATOM 0 HA SER A 20 -1.901 3.722 10.064 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.314 6.310 9.350 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.850 5.170 10.569 1.00 0.00 H new ATOM 0 HG SER A 20 -2.542 6.874 11.474 1.00 0.00 H new ATOM 317 N LEU A 21 -2.601 2.951 7.446 1.00 0.00 N ATOM 318 CA LEU A 21 -3.258 2.075 6.499 1.00 0.00 C ATOM 319 C LEU A 21 -3.001 0.643 6.910 1.00 0.00 C ATOM 320 O LEU A 21 -3.209 -0.285 6.142 1.00 0.00 O ATOM 321 CB LEU A 21 -2.733 2.326 5.080 1.00 0.00 C ATOM 322 CG LEU A 21 -3.538 3.271 4.162 1.00 0.00 C ATOM 323 CD1 LEU A 21 -4.637 2.517 3.472 1.00 0.00 C ATOM 324 CD2 LEU A 21 -4.125 4.453 4.924 1.00 0.00 C ATOM 0 H LEU A 21 -1.592 2.997 7.307 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.330 2.273 6.498 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.722 2.725 5.164 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.654 1.361 4.578 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.843 3.666 3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.196 3.196 2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.207 1.717 2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.308 2.089 4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.682 5.089 4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.794 4.088 5.703 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.319 5.029 5.379 1.00 0.00 H new ATOM 336 N ASP A 22 -2.582 0.481 8.162 1.00 0.00 N ATOM 337 CA ASP A 22 -2.307 -0.822 8.771 1.00 0.00 C ATOM 338 C ASP A 22 -3.498 -1.774 8.681 1.00 0.00 C ATOM 339 O ASP A 22 -3.309 -2.980 8.657 1.00 0.00 O ATOM 340 CB ASP A 22 -1.854 -0.677 10.234 1.00 0.00 C ATOM 341 CG ASP A 22 -2.929 -0.165 11.152 1.00 0.00 C ATOM 342 OD1 ASP A 22 -3.480 0.922 10.885 1.00 0.00 O ATOM 343 OD2 ASP A 22 -3.227 -0.818 12.173 1.00 0.00 O ATOM 0 H ASP A 22 -2.420 1.264 8.795 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.492 -1.259 8.194 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.510 -1.646 10.596 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.001 -0.000 10.275 1.00 0.00 H new ATOM 348 N GLN A 23 -4.728 -1.241 8.582 1.00 0.00 N ATOM 349 CA GLN A 23 -5.893 -2.113 8.430 1.00 0.00 C ATOM 350 C GLN A 23 -5.917 -2.796 7.066 1.00 0.00 C ATOM 351 O GLN A 23 -6.533 -3.839 6.891 1.00 0.00 O ATOM 352 CB GLN A 23 -7.231 -1.411 8.700 1.00 0.00 C ATOM 353 CG GLN A 23 -7.593 -0.222 7.810 1.00 0.00 C ATOM 354 CD GLN A 23 -7.020 1.073 8.296 1.00 0.00 C ATOM 355 OE1 GLN A 23 -7.611 1.756 9.132 1.00 0.00 O ATOM 356 NE2 GLN A 23 -5.963 1.478 7.714 1.00 0.00 N ATOM 0 H GLN A 23 -4.933 -0.242 8.604 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.778 -2.874 9.202 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.025 -2.153 8.611 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.229 -1.069 9.735 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.237 -0.412 6.797 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.678 -0.134 7.755 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.500 0.884 7.026 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.579 2.397 7.936 1.00 0.00 H new ATOM 365 N TYR A 24 -5.198 -2.230 6.121 1.00 0.00 N ATOM 366 CA TYR A 24 -5.141 -2.773 4.786 1.00 0.00 C ATOM 367 C TYR A 24 -4.147 -3.900 4.700 1.00 0.00 C ATOM 368 O TYR A 24 -4.225 -4.724 3.796 1.00 0.00 O ATOM 369 CB TYR A 24 -4.840 -1.688 3.759 1.00 0.00 C ATOM 370 CG TYR A 24 -6.062 -1.145 3.071 1.00 0.00 C ATOM 371 CD1 TYR A 24 -6.859 -0.199 3.678 1.00 0.00 C ATOM 372 CD2 TYR A 24 -6.417 -1.582 1.795 1.00 0.00 C ATOM 373 CE1 TYR A 24 -7.974 0.302 3.041 1.00 0.00 C ATOM 374 CE2 TYR A 24 -7.539 -1.078 1.151 1.00 0.00 C ATOM 375 CZ TYR A 24 -8.310 -0.135 1.782 1.00 0.00 C ATOM 376 OH TYR A 24 -9.437 0.379 1.156 1.00 0.00 O ATOM 0 H TYR A 24 -4.641 -1.386 6.257 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.124 -3.181 4.552 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.319 -0.868 4.253 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.161 -2.091 3.008 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.607 0.155 4.667 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.809 -2.325 1.300 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.587 1.042 3.534 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.802 -1.425 0.163 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.536 -0.031 0.272 1.00 0.00 H new ATOM 386 N VAL A 25 -3.226 -3.958 5.665 1.00 0.00 N ATOM 387 CA VAL A 25 -2.221 -5.036 5.733 1.00 0.00 C ATOM 388 C VAL A 25 -2.905 -6.406 5.764 1.00 0.00 C ATOM 389 O VAL A 25 -2.437 -7.353 5.126 1.00 0.00 O ATOM 390 CB VAL A 25 -1.250 -4.902 6.956 1.00 0.00 C ATOM 391 CG1 VAL A 25 -0.269 -6.043 6.998 1.00 0.00 C ATOM 392 CG2 VAL A 25 -0.528 -3.572 6.924 1.00 0.00 C ATOM 0 H VAL A 25 -3.151 -3.271 6.415 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.614 -4.942 4.832 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.849 -4.943 7.866 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.392 -5.923 7.857 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.810 -6.985 7.085 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.323 -6.048 6.083 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.141 -3.500 7.782 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.052 -3.495 6.004 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.256 -2.762 6.963 1.00 0.00 H new ATOM 402 N SER A 26 -4.041 -6.460 6.443 1.00 0.00 N ATOM 403 CA SER A 26 -4.857 -7.657 6.580 1.00 0.00 C ATOM 404 C SER A 26 -5.135 -8.318 5.205 1.00 0.00 C ATOM 405 O SER A 26 -5.088 -9.550 5.068 1.00 0.00 O ATOM 406 CB SER A 26 -6.176 -7.274 7.295 1.00 0.00 C ATOM 407 OG SER A 26 -7.031 -8.385 7.513 1.00 0.00 O ATOM 0 H SER A 26 -4.431 -5.651 6.927 1.00 0.00 H new ATOM 0 HA SER A 26 -4.318 -8.395 7.175 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.942 -6.809 8.253 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.703 -6.529 6.699 1.00 0.00 H new ATOM 0 HG SER A 26 -7.846 -8.086 7.968 1.00 0.00 H new ATOM 413 N GLU A 27 -5.362 -7.515 4.193 1.00 0.00 N ATOM 414 CA GLU A 27 -5.652 -8.039 2.883 1.00 0.00 C ATOM 415 C GLU A 27 -4.437 -7.886 1.948 1.00 0.00 C ATOM 416 O GLU A 27 -4.197 -8.741 1.105 1.00 0.00 O ATOM 417 CB GLU A 27 -6.896 -7.372 2.328 1.00 0.00 C ATOM 418 CG GLU A 27 -7.338 -7.861 0.962 1.00 0.00 C ATOM 419 CD GLU A 27 -7.784 -9.294 0.896 1.00 0.00 C ATOM 420 OE1 GLU A 27 -8.696 -9.690 1.645 1.00 0.00 O ATOM 421 OE2 GLU A 27 -7.293 -10.019 0.015 1.00 0.00 O ATOM 0 H GLU A 27 -5.351 -6.497 4.253 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.853 -9.108 2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.714 -7.523 3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.718 -6.298 2.271 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.156 -7.229 0.617 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.513 -7.724 0.263 1.00 0.00 H new ATOM 428 N PHE A 28 -3.643 -6.813 2.134 1.00 0.00 N ATOM 429 CA PHE A 28 -2.409 -6.588 1.345 1.00 0.00 C ATOM 430 C PHE A 28 -1.484 -7.799 1.451 1.00 0.00 C ATOM 431 O PHE A 28 -0.924 -8.275 0.462 1.00 0.00 O ATOM 432 CB PHE A 28 -1.657 -5.333 1.837 1.00 0.00 C ATOM 433 CG PHE A 28 -1.849 -4.079 1.001 1.00 0.00 C ATOM 434 CD1 PHE A 28 -3.077 -3.447 0.913 1.00 0.00 C ATOM 435 CD2 PHE A 28 -0.769 -3.518 0.322 1.00 0.00 C ATOM 436 CE1 PHE A 28 -3.226 -2.291 0.159 1.00 0.00 C ATOM 437 CE2 PHE A 28 -0.917 -2.370 -0.428 1.00 0.00 C ATOM 438 CZ PHE A 28 -2.142 -1.757 -0.511 1.00 0.00 C ATOM 0 H PHE A 28 -3.832 -6.086 2.824 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.702 -6.439 0.306 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.974 -5.119 2.858 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.592 -5.562 1.876 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.928 -3.857 1.436 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.200 -3.990 0.384 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.190 -1.809 0.096 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.068 -1.953 -0.950 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.259 -0.859 -1.099 1.00 0.00 H new ATOM 448 N SER A 29 -1.407 -8.338 2.648 1.00 0.00 N ATOM 449 CA SER A 29 -0.555 -9.458 2.941 1.00 0.00 C ATOM 450 C SER A 29 -1.197 -10.759 2.462 1.00 0.00 C ATOM 451 O SER A 29 -0.503 -11.736 2.206 1.00 0.00 O ATOM 452 CB SER A 29 -0.279 -9.506 4.456 1.00 0.00 C ATOM 453 OG SER A 29 0.621 -10.543 4.821 1.00 0.00 O ATOM 0 H SER A 29 -1.942 -8.004 3.450 1.00 0.00 H new ATOM 0 HA SER A 29 0.391 -9.341 2.412 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.130 -8.548 4.776 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.220 -9.645 4.988 1.00 0.00 H new ATOM 0 HG SER A 29 0.762 -10.527 5.791 1.00 0.00 H new ATOM 459 N ALA A 30 -2.507 -10.754 2.297 1.00 0.00 N ATOM 460 CA ALA A 30 -3.227 -11.949 1.897 1.00 0.00 C ATOM 461 C ALA A 30 -2.999 -12.244 0.427 1.00 0.00 C ATOM 462 O ALA A 30 -2.837 -13.391 0.032 1.00 0.00 O ATOM 463 CB ALA A 30 -4.715 -11.815 2.205 1.00 0.00 C ATOM 0 H ALA A 30 -3.096 -9.933 2.434 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.841 -12.790 2.474 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.234 -12.723 1.896 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.853 -11.665 3.276 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.123 -10.962 1.663 1.00 0.00 H new ATOM 469 N GLN A 31 -2.952 -11.209 -0.373 1.00 0.00 N ATOM 470 CA GLN A 31 -2.740 -11.386 -1.806 1.00 0.00 C ATOM 471 C GLN A 31 -1.313 -11.103 -2.249 1.00 0.00 C ATOM 472 O GLN A 31 -1.058 -10.946 -3.445 1.00 0.00 O ATOM 473 CB GLN A 31 -3.779 -10.638 -2.662 1.00 0.00 C ATOM 474 CG GLN A 31 -4.445 -9.464 -1.985 1.00 0.00 C ATOM 475 CD GLN A 31 -5.445 -8.770 -2.883 1.00 0.00 C ATOM 476 OE1 GLN A 31 -5.272 -8.698 -4.095 1.00 0.00 O ATOM 477 NE2 GLN A 31 -6.521 -8.324 -2.315 1.00 0.00 N ATOM 0 H GLN A 31 -3.055 -10.240 -0.071 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.899 -12.449 -1.987 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.291 -10.284 -3.570 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.550 -11.345 -2.969 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.949 -9.807 -1.082 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.684 -8.749 -1.673 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.633 -8.400 -1.304 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.256 -7.897 -2.879 1.00 0.00 H new ATOM 486 N ASN A 32 -0.373 -11.069 -1.279 1.00 0.00 N ATOM 487 CA ASN A 32 1.063 -10.920 -1.565 1.00 0.00 C ATOM 488 C ASN A 32 1.345 -9.638 -2.316 1.00 0.00 C ATOM 489 O ASN A 32 2.192 -9.597 -3.223 1.00 0.00 O ATOM 490 CB ASN A 32 1.597 -12.129 -2.353 1.00 0.00 C ATOM 491 CG ASN A 32 1.539 -13.427 -1.570 1.00 0.00 C ATOM 492 OD1 ASN A 32 2.478 -13.780 -0.868 1.00 0.00 O ATOM 493 ND2 ASN A 32 0.456 -14.149 -1.698 1.00 0.00 N ATOM 0 H ASN A 32 -0.590 -11.144 -0.285 1.00 0.00 H new ATOM 0 HA ASN A 32 1.583 -10.874 -0.608 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.019 -12.240 -3.271 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.629 -11.936 -2.647 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.374 -15.038 -1.204 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.307 -13.823 -2.292 1.00 0.00 H new ATOM 500 N ILE A 33 0.651 -8.594 -1.926 1.00 0.00 N ATOM 501 CA ILE A 33 0.818 -7.310 -2.536 1.00 0.00 C ATOM 502 C ILE A 33 2.157 -6.748 -2.115 1.00 0.00 C ATOM 503 O ILE A 33 2.376 -6.473 -0.952 1.00 0.00 O ATOM 504 CB ILE A 33 -0.318 -6.321 -2.132 1.00 0.00 C ATOM 505 CG1 ILE A 33 -1.705 -6.868 -2.520 1.00 0.00 C ATOM 506 CG2 ILE A 33 -0.106 -4.947 -2.756 1.00 0.00 C ATOM 507 CD1 ILE A 33 -1.917 -7.089 -4.010 1.00 0.00 C ATOM 0 H ILE A 33 -0.042 -8.618 -1.178 1.00 0.00 H new ATOM 0 HA ILE A 33 0.773 -7.432 -3.618 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.279 -6.218 -1.048 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.863 -7.814 -2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.466 -6.176 -2.159 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.915 -4.282 -2.455 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.846 -4.537 -2.418 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.097 -5.038 -3.842 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.922 -7.475 -4.181 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.796 -6.144 -4.539 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.185 -7.807 -4.379 1.00 0.00 H new ATOM 519 N SER A 34 3.055 -6.654 -3.041 1.00 0.00 N ATOM 520 CA SER A 34 4.342 -6.122 -2.774 1.00 0.00 C ATOM 521 C SER A 34 4.436 -4.735 -3.366 1.00 0.00 C ATOM 522 O SER A 34 3.428 -4.184 -3.860 1.00 0.00 O ATOM 523 CB SER A 34 5.372 -7.012 -3.424 1.00 0.00 C ATOM 524 OG SER A 34 5.119 -7.120 -4.821 1.00 0.00 O ATOM 0 H SER A 34 2.911 -6.947 -4.007 1.00 0.00 H new ATOM 0 HA SER A 34 4.515 -6.072 -1.699 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.370 -6.606 -3.258 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.350 -8.001 -2.966 1.00 0.00 H new ATOM 0 HG SER A 34 5.795 -7.699 -5.232 1.00 0.00 H new ATOM 530 N GLY A 35 5.645 -4.192 -3.380 1.00 0.00 N ATOM 531 CA GLY A 35 5.891 -2.907 -3.973 1.00 0.00 C ATOM 532 C GLY A 35 5.586 -2.907 -5.450 1.00 0.00 C ATOM 533 O GLY A 35 5.226 -1.880 -6.009 1.00 0.00 O ATOM 0 H GLY A 35 6.472 -4.636 -2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.280 -2.154 -3.475 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.933 -2.627 -3.816 1.00 0.00 H new ATOM 537 N GLU A 36 5.676 -4.089 -6.057 1.00 0.00 N ATOM 538 CA GLU A 36 5.400 -4.285 -7.469 1.00 0.00 C ATOM 539 C GLU A 36 3.954 -3.874 -7.773 1.00 0.00 C ATOM 540 O GLU A 36 3.662 -3.279 -8.812 1.00 0.00 O ATOM 541 CB GLU A 36 5.638 -5.761 -7.827 1.00 0.00 C ATOM 542 CG GLU A 36 5.453 -6.114 -9.295 1.00 0.00 C ATOM 543 CD GLU A 36 5.719 -7.578 -9.574 1.00 0.00 C ATOM 544 OE1 GLU A 36 4.817 -8.412 -9.367 1.00 0.00 O ATOM 545 OE2 GLU A 36 6.837 -7.922 -10.012 1.00 0.00 O ATOM 0 H GLU A 36 5.946 -4.944 -5.572 1.00 0.00 H new ATOM 0 HA GLU A 36 6.065 -3.666 -8.071 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.652 -6.030 -7.531 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.959 -6.375 -7.235 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.436 -5.868 -9.600 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.124 -5.504 -9.900 1.00 0.00 H new ATOM 552 N GLN A 37 3.055 -4.154 -6.836 1.00 0.00 N ATOM 553 CA GLN A 37 1.665 -3.791 -7.026 1.00 0.00 C ATOM 554 C GLN A 37 1.453 -2.394 -6.470 1.00 0.00 C ATOM 555 O GLN A 37 0.738 -1.600 -7.048 1.00 0.00 O ATOM 556 CB GLN A 37 0.707 -4.697 -6.258 1.00 0.00 C ATOM 557 CG GLN A 37 1.163 -6.120 -5.937 1.00 0.00 C ATOM 558 CD GLN A 37 1.320 -7.085 -7.106 1.00 0.00 C ATOM 559 OE1 GLN A 37 1.117 -8.277 -6.939 1.00 0.00 O ATOM 560 NE2 GLN A 37 1.696 -6.613 -8.248 1.00 0.00 N ATOM 0 H GLN A 37 3.263 -4.623 -5.954 1.00 0.00 H new ATOM 0 HA GLN A 37 1.460 -3.872 -8.094 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.465 -4.204 -5.316 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.219 -4.765 -6.830 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.120 -6.059 -5.420 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.449 -6.553 -5.236 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.858 -5.612 -8.358 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.831 -7.241 -9.040 1.00 0.00 H new ATOM 569 N LEU A 38 2.097 -2.150 -5.327 1.00 0.00 N ATOM 570 CA LEU A 38 1.986 -0.926 -4.516 1.00 0.00 C ATOM 571 C LEU A 38 2.167 0.340 -5.384 1.00 0.00 C ATOM 572 O LEU A 38 1.368 1.263 -5.330 1.00 0.00 O ATOM 573 CB LEU A 38 3.084 -0.988 -3.423 1.00 0.00 C ATOM 574 CG LEU A 38 2.947 -0.141 -2.136 1.00 0.00 C ATOM 575 CD1 LEU A 38 4.113 -0.436 -1.224 1.00 0.00 C ATOM 576 CD2 LEU A 38 2.929 1.338 -2.411 1.00 0.00 C ATOM 0 H LEU A 38 2.740 -2.828 -4.919 1.00 0.00 H new ATOM 0 HA LEU A 38 0.994 -0.869 -4.067 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.177 -2.030 -3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.026 -0.710 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 38 1.996 -0.410 -1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.023 0.158 -0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.115 -1.495 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.044 -0.184 -1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.831 1.882 -1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.857 1.628 -2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.085 1.577 -3.058 1.00 0.00 H new ATOM 588 N LEU A 39 3.206 0.343 -6.186 1.00 0.00 N ATOM 589 CA LEU A 39 3.551 1.490 -7.029 1.00 0.00 C ATOM 590 C LEU A 39 2.456 1.807 -8.037 1.00 0.00 C ATOM 591 O LEU A 39 2.127 2.966 -8.266 1.00 0.00 O ATOM 592 CB LEU A 39 4.853 1.194 -7.767 1.00 0.00 C ATOM 593 CG LEU A 39 6.078 0.950 -6.892 1.00 0.00 C ATOM 594 CD1 LEU A 39 7.166 0.248 -7.680 1.00 0.00 C ATOM 595 CD2 LEU A 39 6.595 2.264 -6.339 1.00 0.00 C ATOM 0 H LEU A 39 3.845 -0.447 -6.281 1.00 0.00 H new ATOM 0 HA LEU A 39 3.666 2.360 -6.383 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.700 0.317 -8.395 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.068 2.030 -8.433 1.00 0.00 H new ATOM 0 HG LEU A 39 5.787 0.308 -6.061 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.031 0.083 -7.038 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.793 -0.711 -8.040 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.457 0.866 -8.529 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.470 2.078 -5.716 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.870 2.922 -7.163 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.817 2.738 -5.740 1.00 0.00 H new ATOM 607 N GLN A 40 1.890 0.782 -8.607 1.00 0.00 N ATOM 608 CA GLN A 40 0.890 0.948 -9.649 1.00 0.00 C ATOM 609 C GLN A 40 -0.554 0.858 -9.112 1.00 0.00 C ATOM 610 O GLN A 40 -1.518 0.813 -9.895 1.00 0.00 O ATOM 611 CB GLN A 40 1.177 -0.029 -10.825 1.00 0.00 C ATOM 612 CG GLN A 40 1.115 -1.515 -10.485 1.00 0.00 C ATOM 613 CD GLN A 40 -0.272 -2.105 -10.617 1.00 0.00 C ATOM 614 OE1 GLN A 40 -1.069 -1.690 -11.449 1.00 0.00 O ATOM 615 NE2 GLN A 40 -0.581 -3.039 -9.790 1.00 0.00 N ATOM 0 H GLN A 40 2.099 -0.188 -8.373 1.00 0.00 H new ATOM 0 HA GLN A 40 0.970 1.962 -10.040 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.461 0.172 -11.622 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.167 0.192 -11.223 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.797 -2.058 -11.139 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.468 -1.662 -9.464 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.105 -3.364 -9.108 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.512 -3.455 -9.816 1.00 0.00 H new ATOM 624 N LEU A 41 -0.700 0.882 -7.781 1.00 0.00 N ATOM 625 CA LEU A 41 -2.004 0.839 -7.121 1.00 0.00 C ATOM 626 C LEU A 41 -2.944 1.915 -7.619 1.00 0.00 C ATOM 627 O LEU A 41 -2.526 2.993 -8.017 1.00 0.00 O ATOM 628 CB LEU A 41 -1.876 1.004 -5.623 1.00 0.00 C ATOM 629 CG LEU A 41 -1.396 -0.182 -4.823 1.00 0.00 C ATOM 630 CD1 LEU A 41 -1.216 0.252 -3.413 1.00 0.00 C ATOM 631 CD2 LEU A 41 -2.398 -1.319 -4.873 1.00 0.00 C ATOM 0 H LEU A 41 0.086 0.932 -7.133 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.414 -0.142 -7.363 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.194 1.833 -5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.851 1.298 -5.234 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.457 -0.541 -5.245 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.869 -0.590 -2.815 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.480 1.055 -3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.167 0.610 -3.018 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.024 -2.159 -4.288 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.350 -0.984 -4.460 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.541 -1.633 -5.907 1.00 0.00 H new ATOM 643 N ASP A 42 -4.204 1.620 -7.577 1.00 0.00 N ATOM 644 CA ASP A 42 -5.242 2.540 -7.976 1.00 0.00 C ATOM 645 C ASP A 42 -6.473 2.128 -7.203 1.00 0.00 C ATOM 646 O ASP A 42 -6.399 1.139 -6.453 1.00 0.00 O ATOM 647 CB ASP A 42 -5.490 2.477 -9.507 1.00 0.00 C ATOM 648 CG ASP A 42 -6.482 3.525 -9.989 1.00 0.00 C ATOM 649 OD1 ASP A 42 -6.094 4.697 -10.168 1.00 0.00 O ATOM 650 OD2 ASP A 42 -7.674 3.203 -10.144 1.00 0.00 O ATOM 0 H ASP A 42 -4.556 0.717 -7.259 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.965 3.572 -7.761 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.543 2.613 -10.029 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.860 1.486 -9.770 1.00 0.00 H new ATOM 655 N GLY A 43 -7.589 2.827 -7.378 1.00 0.00 N ATOM 656 CA GLY A 43 -8.793 2.501 -6.672 1.00 0.00 C ATOM 657 C GLY A 43 -9.248 1.124 -7.003 1.00 0.00 C ATOM 658 O GLY A 43 -9.732 0.423 -6.140 1.00 0.00 O ATOM 0 H GLY A 43 -7.671 3.624 -8.009 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.623 2.584 -5.598 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.574 3.217 -6.927 1.00 0.00 H new ATOM 662 N ASN A 44 -9.050 0.735 -8.254 1.00 0.00 N ATOM 663 CA ASN A 44 -9.389 -0.593 -8.741 1.00 0.00 C ATOM 664 C ASN A 44 -8.779 -1.662 -7.887 1.00 0.00 C ATOM 665 O ASN A 44 -9.467 -2.598 -7.467 1.00 0.00 O ATOM 666 CB ASN A 44 -8.960 -0.758 -10.184 1.00 0.00 C ATOM 667 CG ASN A 44 -9.865 -0.029 -11.154 1.00 0.00 C ATOM 668 OD1 ASN A 44 -11.073 0.094 -10.931 1.00 0.00 O ATOM 669 ND2 ASN A 44 -9.308 0.467 -12.212 1.00 0.00 N ATOM 0 H ASN A 44 -8.644 1.341 -8.968 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.472 -0.699 -8.685 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.941 -0.390 -10.299 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -8.946 -1.819 -10.435 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.870 0.978 -12.892 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.307 0.347 -12.365 1.00 0.00 H new ATOM 676 N LYS A 45 -7.501 -1.515 -7.596 1.00 0.00 N ATOM 677 CA LYS A 45 -6.830 -2.441 -6.740 1.00 0.00 C ATOM 678 C LYS A 45 -7.329 -2.326 -5.318 1.00 0.00 C ATOM 679 O LYS A 45 -7.614 -3.313 -4.714 1.00 0.00 O ATOM 680 CB LYS A 45 -5.326 -2.267 -6.794 1.00 0.00 C ATOM 681 CG LYS A 45 -4.794 -2.253 -8.206 1.00 0.00 C ATOM 682 CD LYS A 45 -3.357 -2.751 -8.298 1.00 0.00 C ATOM 683 CE LYS A 45 -3.185 -4.177 -7.751 1.00 0.00 C ATOM 684 NZ LYS A 45 -4.006 -5.171 -8.469 1.00 0.00 N ATOM 0 H LYS A 45 -6.915 -0.757 -7.947 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.060 -3.442 -7.105 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.054 -1.335 -6.298 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.850 -3.075 -6.238 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.431 -2.874 -8.836 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.848 -1.238 -8.600 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.034 -2.724 -9.339 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.706 -2.074 -7.745 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.135 -4.463 -7.820 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.450 -4.190 -6.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.811 -6.120 -8.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.013 -4.947 -8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.773 -5.147 -9.482 1.00 0.00 H new ATOM 698 N LEU A 46 -7.490 -1.101 -4.822 1.00 0.00 N ATOM 699 CA LEU A 46 -7.968 -0.852 -3.441 1.00 0.00 C ATOM 700 C LEU A 46 -9.342 -1.479 -3.205 1.00 0.00 C ATOM 701 O LEU A 46 -9.682 -1.901 -2.092 1.00 0.00 O ATOM 702 CB LEU A 46 -8.035 0.651 -3.177 1.00 0.00 C ATOM 703 CG LEU A 46 -6.715 1.412 -3.318 1.00 0.00 C ATOM 704 CD1 LEU A 46 -6.924 2.901 -3.109 1.00 0.00 C ATOM 705 CD2 LEU A 46 -5.671 0.869 -2.350 1.00 0.00 C ATOM 0 H LEU A 46 -7.298 -0.251 -5.352 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.261 -1.315 -2.752 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.760 1.089 -3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.416 0.807 -2.168 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.345 1.263 -4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.971 3.420 -3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.627 3.278 -3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.324 3.076 -2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.741 1.425 -2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.032 0.978 -1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.493 -0.185 -2.561 1.00 0.00 H new ATOM 717 N LYS A 47 -10.116 -1.540 -4.250 1.00 0.00 N ATOM 718 CA LYS A 47 -11.420 -2.140 -4.210 1.00 0.00 C ATOM 719 C LYS A 47 -11.292 -3.676 -4.242 1.00 0.00 C ATOM 720 O LYS A 47 -12.137 -4.394 -3.712 1.00 0.00 O ATOM 721 CB LYS A 47 -12.272 -1.628 -5.379 1.00 0.00 C ATOM 722 CG LYS A 47 -12.633 -0.144 -5.292 1.00 0.00 C ATOM 723 CD LYS A 47 -12.959 0.438 -6.670 1.00 0.00 C ATOM 724 CE LYS A 47 -13.569 1.820 -6.564 1.00 0.00 C ATOM 725 NZ LYS A 47 -13.836 2.407 -7.889 1.00 0.00 N ATOM 0 H LYS A 47 -9.857 -1.170 -5.165 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.919 -1.860 -3.282 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.734 -1.805 -6.310 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.191 -2.211 -5.426 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.489 -0.015 -4.630 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.803 0.408 -4.850 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.050 0.487 -7.269 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.649 -0.225 -7.191 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.499 1.764 -5.998 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.896 2.472 -6.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.253 3.353 -7.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.945 2.485 -8.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.498 1.799 -8.411 1.00 0.00 H new ATOM 739 N ALA A 48 -10.204 -4.166 -4.825 1.00 0.00 N ATOM 740 CA ALA A 48 -9.921 -5.602 -4.900 1.00 0.00 C ATOM 741 C ALA A 48 -9.287 -6.086 -3.591 1.00 0.00 C ATOM 742 O ALA A 48 -9.044 -7.286 -3.389 1.00 0.00 O ATOM 743 CB ALA A 48 -9.027 -5.923 -6.093 1.00 0.00 C ATOM 0 H ALA A 48 -9.490 -3.582 -5.261 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.863 -6.132 -5.043 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.833 -6.995 -6.124 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.525 -5.617 -7.013 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.083 -5.386 -5.995 1.00 0.00 H new ATOM 749 N LEU A 49 -9.010 -5.141 -2.705 1.00 0.00 N ATOM 750 CA LEU A 49 -8.556 -5.452 -1.374 1.00 0.00 C ATOM 751 C LEU A 49 -9.772 -5.735 -0.499 1.00 0.00 C ATOM 752 O LEU A 49 -9.650 -6.052 0.655 1.00 0.00 O ATOM 753 CB LEU A 49 -7.697 -4.310 -0.754 1.00 0.00 C ATOM 754 CG LEU A 49 -6.162 -4.264 -1.057 1.00 0.00 C ATOM 755 CD1 LEU A 49 -5.456 -5.495 -0.572 1.00 0.00 C ATOM 756 CD2 LEU A 49 -5.845 -4.050 -2.507 1.00 0.00 C ATOM 0 H LEU A 49 -9.096 -4.143 -2.896 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.911 -6.329 -1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.125 -3.362 -1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.817 -4.358 0.328 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.796 -3.398 -0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.393 -5.420 -0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.587 -5.589 0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.874 -6.372 -1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.764 -4.029 -2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.269 -4.863 -3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.271 -3.102 -2.837 1.00 0.00 H new ATOM 768 N GLY A 50 -10.962 -5.536 -1.066 1.00 0.00 N ATOM 769 CA GLY A 50 -12.208 -5.845 -0.374 1.00 0.00 C ATOM 770 C GLY A 50 -12.534 -4.879 0.743 1.00 0.00 C ATOM 771 O GLY A 50 -13.614 -4.923 1.313 1.00 0.00 O ATOM 0 H GLY A 50 -11.087 -5.161 -2.006 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.025 -5.843 -1.095 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.147 -6.853 0.035 1.00 0.00 H new ATOM 775 N MET A 51 -11.614 -4.002 1.042 1.00 0.00 N ATOM 776 CA MET A 51 -11.796 -3.066 2.110 1.00 0.00 C ATOM 777 C MET A 51 -12.639 -1.917 1.610 1.00 0.00 C ATOM 778 O MET A 51 -13.637 -1.564 2.221 1.00 0.00 O ATOM 779 CB MET A 51 -10.460 -2.592 2.630 1.00 0.00 C ATOM 780 CG MET A 51 -10.541 -1.795 3.921 1.00 0.00 C ATOM 781 SD MET A 51 -11.199 -2.744 5.307 1.00 0.00 S ATOM 782 CE MET A 51 -11.096 -1.522 6.604 1.00 0.00 C ATOM 0 H MET A 51 -10.723 -3.919 0.553 1.00 0.00 H new ATOM 0 HA MET A 51 -12.312 -3.544 2.943 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.817 -3.458 2.790 1.00 0.00 H new ATOM 0 HB3 MET A 51 -9.983 -1.978 1.866 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.546 -1.432 4.178 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.168 -0.918 3.760 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.731 -1.991 7.518 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.410 -0.730 6.304 1.00 0.00 H new ATOM 0 HE3 MET A 51 -12.084 -1.098 6.783 1.00 0.00 H new ATOM 792 N THR A 52 -12.235 -1.351 0.454 1.00 0.00 N ATOM 793 CA THR A 52 -12.973 -0.308 -0.295 1.00 0.00 C ATOM 794 C THR A 52 -13.273 0.974 0.517 1.00 0.00 C ATOM 795 O THR A 52 -14.036 1.829 0.076 1.00 0.00 O ATOM 796 CB THR A 52 -14.294 -0.880 -0.901 1.00 0.00 C ATOM 797 OG1 THR A 52 -15.198 -1.357 0.118 1.00 0.00 O ATOM 798 CG2 THR A 52 -13.999 -2.017 -1.842 1.00 0.00 C ATOM 0 H THR A 52 -11.360 -1.614 0.001 1.00 0.00 H new ATOM 0 HA THR A 52 -12.298 -0.007 -1.096 1.00 0.00 H new ATOM 0 HB THR A 52 -14.769 -0.058 -1.437 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.834 -1.145 1.003 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.933 -2.401 -2.253 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.364 -1.662 -2.654 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.486 -2.813 -1.302 1.00 0.00 H new ATOM 806 N SER A 53 -12.614 1.121 1.634 1.00 0.00 N ATOM 807 CA SER A 53 -12.844 2.192 2.562 1.00 0.00 C ATOM 808 C SER A 53 -12.532 3.559 1.956 1.00 0.00 C ATOM 809 O SER A 53 -11.459 3.764 1.422 1.00 0.00 O ATOM 810 CB SER A 53 -12.019 1.927 3.779 1.00 0.00 C ATOM 811 OG SER A 53 -12.421 0.726 4.406 1.00 0.00 O ATOM 0 H SER A 53 -11.880 0.478 1.932 1.00 0.00 H new ATOM 0 HA SER A 53 -13.901 2.225 2.826 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.966 1.864 3.504 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.116 2.758 4.478 1.00 0.00 H new ATOM 0 HG SER A 53 -12.861 0.933 5.257 1.00 0.00 H new ATOM 817 N SER A 54 -13.480 4.473 2.081 1.00 0.00 N ATOM 818 CA SER A 54 -13.452 5.780 1.452 1.00 0.00 C ATOM 819 C SER A 54 -12.254 6.635 1.905 1.00 0.00 C ATOM 820 O SER A 54 -11.570 7.222 1.052 1.00 0.00 O ATOM 821 CB SER A 54 -14.779 6.508 1.705 1.00 0.00 C ATOM 822 OG SER A 54 -14.873 7.736 0.992 1.00 0.00 O ATOM 0 H SER A 54 -14.318 4.319 2.642 1.00 0.00 H new ATOM 0 HA SER A 54 -13.325 5.626 0.381 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.606 5.860 1.416 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.885 6.703 2.772 1.00 0.00 H new ATOM 0 HG SER A 54 -15.735 8.161 1.184 1.00 0.00 H new ATOM 828 N GLN A 55 -11.998 6.708 3.228 1.00 0.00 N ATOM 829 CA GLN A 55 -10.838 7.469 3.754 1.00 0.00 C ATOM 830 C GLN A 55 -9.593 6.985 3.081 1.00 0.00 C ATOM 831 O GLN A 55 -8.848 7.740 2.458 1.00 0.00 O ATOM 832 CB GLN A 55 -10.642 7.225 5.255 1.00 0.00 C ATOM 833 CG GLN A 55 -9.313 7.767 5.783 1.00 0.00 C ATOM 834 CD GLN A 55 -8.851 7.068 7.036 1.00 0.00 C ATOM 835 OE1 GLN A 55 -9.147 7.494 8.151 1.00 0.00 O ATOM 836 NE2 GLN A 55 -8.138 5.963 6.864 1.00 0.00 N ATOM 0 H GLN A 55 -12.567 6.258 3.945 1.00 0.00 H new ATOM 0 HA GLN A 55 -11.027 8.526 3.569 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.461 7.691 5.803 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.695 6.154 5.453 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.551 7.660 5.011 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.416 8.833 5.985 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.913 5.643 5.922 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.814 5.434 7.674 1.00 0.00 H new ATOM 845 N ASP A 56 -9.413 5.706 3.200 1.00 0.00 N ATOM 846 CA ASP A 56 -8.270 5.015 2.728 1.00 0.00 C ATOM 847 C ASP A 56 -8.154 5.198 1.252 1.00 0.00 C ATOM 848 O ASP A 56 -7.122 5.581 0.785 1.00 0.00 O ATOM 849 CB ASP A 56 -8.378 3.548 3.098 1.00 0.00 C ATOM 850 CG ASP A 56 -8.591 3.347 4.591 1.00 0.00 C ATOM 851 OD1 ASP A 56 -9.743 3.532 5.062 1.00 0.00 O ATOM 852 OD2 ASP A 56 -7.637 3.042 5.307 1.00 0.00 O ATOM 0 H ASP A 56 -10.094 5.095 3.650 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.369 5.417 3.192 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.205 3.097 2.551 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.471 3.029 2.789 1.00 0.00 H new ATOM 857 N ARG A 57 -9.274 5.034 0.544 1.00 0.00 N ATOM 858 CA ARG A 57 -9.367 5.199 -0.915 1.00 0.00 C ATOM 859 C ARG A 57 -8.738 6.478 -1.403 1.00 0.00 C ATOM 860 O ARG A 57 -8.161 6.498 -2.478 1.00 0.00 O ATOM 861 CB ARG A 57 -10.830 5.125 -1.383 1.00 0.00 C ATOM 862 CG ARG A 57 -11.323 3.718 -1.667 1.00 0.00 C ATOM 863 CD ARG A 57 -10.763 3.223 -2.984 1.00 0.00 C ATOM 864 NE ARG A 57 -11.365 3.948 -4.122 1.00 0.00 N ATOM 865 CZ ARG A 57 -10.728 4.796 -4.960 1.00 0.00 C ATOM 866 NH1 ARG A 57 -9.476 5.182 -4.723 1.00 0.00 N ATOM 867 NH2 ARG A 57 -11.377 5.307 -5.992 1.00 0.00 N ATOM 0 H ARG A 57 -10.162 4.777 0.975 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.803 4.374 -1.350 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -11.467 5.574 -0.620 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.942 5.726 -2.285 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.021 3.049 -0.861 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.412 3.706 -1.699 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.681 3.355 -2.996 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.955 2.155 -3.086 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.359 3.793 -4.292 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.983 4.837 -3.899 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.010 5.822 -5.365 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.354 5.061 -6.153 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.901 5.947 -6.627 1.00 0.00 H new ATOM 881 N ALA A 58 -8.831 7.512 -0.611 1.00 0.00 N ATOM 882 CA ALA A 58 -8.257 8.793 -0.969 1.00 0.00 C ATOM 883 C ALA A 58 -6.854 8.946 -0.378 1.00 0.00 C ATOM 884 O ALA A 58 -5.928 9.420 -1.040 1.00 0.00 O ATOM 885 CB ALA A 58 -9.155 9.920 -0.483 1.00 0.00 C ATOM 0 H ALA A 58 -9.301 7.497 0.294 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.177 8.842 -2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -8.715 10.879 -0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.138 9.827 -0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.256 9.863 0.601 1.00 0.00 H new ATOM 891 N LEU A 59 -6.693 8.497 0.845 1.00 0.00 N ATOM 892 CA LEU A 59 -5.450 8.667 1.571 1.00 0.00 C ATOM 893 C LEU A 59 -4.316 7.845 0.998 1.00 0.00 C ATOM 894 O LEU A 59 -3.227 8.376 0.719 1.00 0.00 O ATOM 895 CB LEU A 59 -5.598 8.344 3.044 1.00 0.00 C ATOM 896 CG LEU A 59 -4.333 8.599 3.846 1.00 0.00 C ATOM 897 CD1 LEU A 59 -3.961 10.061 3.796 1.00 0.00 C ATOM 898 CD2 LEU A 59 -4.457 8.132 5.262 1.00 0.00 C ATOM 0 H LEU A 59 -7.417 8.004 1.367 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.201 9.722 1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.410 8.941 3.460 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.884 7.298 3.152 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.535 8.016 3.386 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.053 10.225 4.376 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.790 10.358 2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.772 10.657 4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.528 8.336 5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.278 8.659 5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.656 7.060 5.276 1.00 0.00 H new ATOM 910 N VAL A 60 -4.543 6.556 0.819 1.00 0.00 N ATOM 911 CA VAL A 60 -3.525 5.701 0.264 1.00 0.00 C ATOM 912 C VAL A 60 -3.270 6.078 -1.191 1.00 0.00 C ATOM 913 O VAL A 60 -2.186 5.918 -1.693 1.00 0.00 O ATOM 914 CB VAL A 60 -3.832 4.168 0.425 1.00 0.00 C ATOM 915 CG1 VAL A 60 -5.133 3.774 -0.186 1.00 0.00 C ATOM 916 CG2 VAL A 60 -2.748 3.359 -0.181 1.00 0.00 C ATOM 0 H VAL A 60 -5.419 6.087 1.050 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.616 5.868 0.842 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.894 3.976 1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.292 2.705 -0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.942 4.328 0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.118 4.001 -1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.975 2.299 -0.062 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.667 3.596 -1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.804 3.586 0.314 1.00 0.00 H new ATOM 926 N LYS A 61 -4.247 6.726 -1.791 1.00 0.00 N ATOM 927 CA LYS A 61 -4.169 7.137 -3.187 1.00 0.00 C ATOM 928 C LYS A 61 -3.164 8.259 -3.298 1.00 0.00 C ATOM 929 O LYS A 61 -2.460 8.406 -4.298 1.00 0.00 O ATOM 930 CB LYS A 61 -5.532 7.614 -3.681 1.00 0.00 C ATOM 931 CG LYS A 61 -6.068 6.887 -4.915 1.00 0.00 C ATOM 932 CD LYS A 61 -5.160 7.048 -6.124 1.00 0.00 C ATOM 933 CE LYS A 61 -5.765 6.387 -7.345 1.00 0.00 C ATOM 934 NZ LYS A 61 -4.911 6.520 -8.555 1.00 0.00 N ATOM 0 H LYS A 61 -5.119 6.985 -1.329 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.861 6.290 -3.801 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.253 7.503 -2.871 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.467 8.679 -3.906 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.181 5.827 -4.688 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.060 7.269 -5.156 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.996 8.107 -6.322 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.185 6.609 -5.913 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.929 5.330 -7.136 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.742 6.828 -7.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.057 5.698 -9.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.166 7.389 -9.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.912 6.566 -8.271 1.00 0.00 H new ATOM 948 N LYS A 62 -3.073 9.006 -2.239 1.00 0.00 N ATOM 949 CA LYS A 62 -2.165 10.107 -2.158 1.00 0.00 C ATOM 950 C LYS A 62 -0.803 9.596 -1.767 1.00 0.00 C ATOM 951 O LYS A 62 0.204 9.989 -2.317 1.00 0.00 O ATOM 952 CB LYS A 62 -2.662 11.144 -1.150 1.00 0.00 C ATOM 953 CG LYS A 62 -1.688 12.280 -0.925 1.00 0.00 C ATOM 954 CD LYS A 62 -2.269 13.350 -0.027 1.00 0.00 C ATOM 955 CE LYS A 62 -1.290 14.492 0.162 1.00 0.00 C ATOM 956 NZ LYS A 62 -1.799 15.507 1.100 1.00 0.00 N ATOM 0 H LYS A 62 -3.634 8.865 -1.399 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.102 10.594 -3.131 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.611 11.553 -1.498 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.858 10.650 -0.198 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.772 11.891 -0.480 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.415 12.720 -1.884 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.195 13.728 -0.459 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.522 12.919 0.942 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.343 14.100 0.532 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.087 14.959 -0.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.099 16.269 1.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.690 15.901 0.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.968 15.068 2.028 1.00 0.00 H new ATOM 970 N LYS A 63 -0.781 8.692 -0.840 1.00 0.00 N ATOM 971 CA LYS A 63 0.466 8.148 -0.385 1.00 0.00 C ATOM 972 C LYS A 63 1.134 7.275 -1.434 1.00 0.00 C ATOM 973 O LYS A 63 2.351 7.146 -1.449 1.00 0.00 O ATOM 974 CB LYS A 63 0.276 7.363 0.863 1.00 0.00 C ATOM 975 CG LYS A 63 1.203 7.806 1.981 1.00 0.00 C ATOM 976 CD LYS A 63 0.898 9.211 2.459 1.00 0.00 C ATOM 977 CE LYS A 63 -0.472 9.319 3.137 1.00 0.00 C ATOM 978 NZ LYS A 63 -0.665 10.681 3.681 1.00 0.00 N ATOM 0 H LYS A 63 -1.609 8.313 -0.381 1.00 0.00 H new ATOM 0 HA LYS A 63 1.120 8.997 -0.188 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.758 7.460 1.194 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.446 6.307 0.653 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.116 7.113 2.818 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.235 7.759 1.634 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.671 9.529 3.158 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.935 9.895 1.611 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.260 9.091 2.420 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.548 8.585 3.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.975 10.618 4.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.232 11.205 3.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.388 11.179 3.123 1.00 0.00 H new ATOM 992 N LEU A 64 0.345 6.665 -2.289 1.00 0.00 N ATOM 993 CA LEU A 64 0.882 5.807 -3.325 1.00 0.00 C ATOM 994 C LEU A 64 1.402 6.619 -4.494 1.00 0.00 C ATOM 995 O LEU A 64 2.126 6.124 -5.319 1.00 0.00 O ATOM 996 CB LEU A 64 -0.145 4.745 -3.765 1.00 0.00 C ATOM 997 CG LEU A 64 -1.265 5.164 -4.742 1.00 0.00 C ATOM 998 CD1 LEU A 64 -0.798 5.069 -6.196 1.00 0.00 C ATOM 999 CD2 LEU A 64 -2.514 4.330 -4.523 1.00 0.00 C ATOM 0 H LEU A 64 -0.672 6.746 -2.289 1.00 0.00 H new ATOM 0 HA LEU A 64 1.732 5.269 -2.906 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.404 3.923 -4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.619 4.350 -2.867 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.510 6.206 -4.537 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.609 5.370 -6.859 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.058 5.727 -6.347 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.510 4.042 -6.419 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.288 4.644 -5.223 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.282 3.278 -4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.870 4.469 -3.502 1.00 0.00 H new ATOM 1011 N LYS A 65 1.022 7.853 -4.588 1.00 0.00 N ATOM 1012 CA LYS A 65 1.594 8.667 -5.655 1.00 0.00 C ATOM 1013 C LYS A 65 2.958 9.198 -5.207 1.00 0.00 C ATOM 1014 O LYS A 65 3.775 9.618 -6.016 1.00 0.00 O ATOM 1015 CB LYS A 65 0.668 9.820 -6.092 1.00 0.00 C ATOM 1016 CG LYS A 65 0.550 10.940 -5.075 1.00 0.00 C ATOM 1017 CD LYS A 65 -0.399 12.055 -5.511 1.00 0.00 C ATOM 1018 CE LYS A 65 0.039 12.727 -6.815 1.00 0.00 C ATOM 1019 NZ LYS A 65 1.392 13.325 -6.730 1.00 0.00 N ATOM 0 H LYS A 65 0.350 8.319 -3.978 1.00 0.00 H new ATOM 0 HA LYS A 65 1.714 8.031 -6.532 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.038 10.233 -7.030 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.326 9.418 -6.291 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.203 10.526 -4.128 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.538 11.363 -4.895 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.401 11.645 -5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.458 12.805 -4.722 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.022 11.992 -7.620 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.680 13.503 -7.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.594 13.852 -7.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.435 13.973 -5.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.098 12.571 -6.609 1.00 0.00 H new ATOM 1033 N GLU A 66 3.193 9.145 -3.911 1.00 0.00 N ATOM 1034 CA GLU A 66 4.429 9.608 -3.337 1.00 0.00 C ATOM 1035 C GLU A 66 5.145 8.454 -2.647 1.00 0.00 C ATOM 1036 O GLU A 66 6.050 8.671 -1.841 1.00 0.00 O ATOM 1037 CB GLU A 66 4.161 10.714 -2.324 1.00 0.00 C ATOM 1038 CG GLU A 66 3.362 10.246 -1.137 1.00 0.00 C ATOM 1039 CD GLU A 66 3.117 11.331 -0.135 1.00 0.00 C ATOM 1040 OE1 GLU A 66 2.133 12.079 -0.268 1.00 0.00 O ATOM 1041 OE2 GLU A 66 3.911 11.464 0.815 1.00 0.00 O ATOM 0 H GLU A 66 2.528 8.778 -3.230 1.00 0.00 H new ATOM 0 HA GLU A 66 5.057 10.001 -4.137 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.112 11.120 -1.978 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.628 11.528 -2.816 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.405 9.854 -1.481 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.888 9.423 -0.653 1.00 0.00 H new