USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 559 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -19:sc= 1.22 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.303 K(o=-0.3,f=-2.8!) USER MOD Single : A 34 CYS SG : rot -60:sc= -9.07! USER MOD Single : A 35 SER OG : rot 1:sc= 0.44! USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc=-0.00481 X(o=-0.0048,f=-0.12) USER MOD Single : A 49 SER OG : rot 60:sc= 0.367 USER MOD Single : A 54 THR OG1 : rot 147:sc= -0.869 USER MOD Single : A 61 SER OG : rot 150:sc= 0.119 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS :FLIP no HE2:sc= 0.144 F(o=-1.3,f=0.14) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= 0.451 F(o=-0.56,f=0.45) USER MOD Single : A 88 GLN :FLIP amide:sc= -0.195 F(o=-1,f=-0.19) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 -4.053 -0.561 0.949 1.00 0.00 N ATOM 2 CA MET A 23 -3.432 0.691 1.350 1.00 0.00 C ATOM 3 C MET A 23 -2.450 1.181 0.284 1.00 0.00 C ATOM 4 O MET A 23 -1.239 1.021 0.430 1.00 0.00 O ATOM 5 CB MET A 23 -2.692 0.493 2.674 1.00 0.00 C ATOM 6 CG MET A 23 -3.649 0.023 3.772 1.00 0.00 C ATOM 7 SD MET A 23 -3.165 -1.594 4.352 1.00 0.00 S ATOM 8 CE MET A 23 -4.514 -1.939 5.469 1.00 0.00 C ATOM 0 HA MET A 23 -4.214 1.441 1.470 1.00 0.00 H new ATOM 0 HB2 MET A 23 -1.895 -0.239 2.543 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.220 1.428 2.974 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.643 0.732 4.600 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.669 -0.009 3.388 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.369 -2.920 5.922 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.543 -1.179 6.250 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.454 -1.929 4.918 1.00 0.00 H new ATOM 18 N SER A 24 -3.008 1.769 -0.764 1.00 0.00 N ATOM 19 CA SER A 24 -2.197 2.284 -1.853 1.00 0.00 C ATOM 20 C SER A 24 -1.858 3.756 -1.604 1.00 0.00 C ATOM 21 O SER A 24 -2.754 4.591 -1.490 1.00 0.00 O ATOM 22 CB SER A 24 -2.912 2.124 -3.196 1.00 0.00 C ATOM 23 OG SER A 24 -2.086 1.491 -4.169 1.00 0.00 O ATOM 0 H SER A 24 -4.013 1.900 -0.882 1.00 0.00 H new ATOM 0 HA SER A 24 -1.273 1.707 -1.893 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.820 1.538 -3.055 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.218 3.104 -3.563 1.00 0.00 H new ATOM 0 HG SER A 24 -1.147 1.563 -3.898 1.00 0.00 H new ATOM 29 N ILE A 25 -0.564 4.027 -1.527 1.00 0.00 N ATOM 30 CA ILE A 25 -0.097 5.383 -1.294 1.00 0.00 C ATOM 31 C ILE A 25 -0.321 6.220 -2.555 1.00 0.00 C ATOM 32 O ILE A 25 -0.138 5.731 -3.669 1.00 0.00 O ATOM 33 CB ILE A 25 1.356 5.374 -0.812 1.00 0.00 C ATOM 34 CG1 ILE A 25 2.318 5.143 -1.979 1.00 0.00 C ATOM 35 CG2 ILE A 25 1.555 4.351 0.308 1.00 0.00 C ATOM 36 CD1 ILE A 25 2.674 6.462 -2.666 1.00 0.00 C ATOM 0 H ILE A 25 0.176 3.331 -1.622 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.672 5.851 -0.495 1.00 0.00 H new ATOM 0 HB ILE A 25 1.585 6.355 -0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.226 4.661 -1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.863 4.464 -2.701 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.595 4.365 0.632 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.909 4.602 1.149 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.302 3.356 -0.059 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.359 6.269 -3.492 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.767 6.929 -3.049 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.150 7.129 -1.948 1.00 0.00 H new ATOM 48 N GLU A 26 -0.714 7.466 -2.338 1.00 0.00 N ATOM 49 CA GLU A 26 -0.965 8.376 -3.443 1.00 0.00 C ATOM 50 C GLU A 26 -0.049 9.597 -3.344 1.00 0.00 C ATOM 51 O GLU A 26 0.542 9.851 -2.295 1.00 0.00 O ATOM 52 CB GLU A 26 -2.435 8.795 -3.485 1.00 0.00 C ATOM 53 CG GLU A 26 -2.952 8.841 -4.924 1.00 0.00 C ATOM 54 CD GLU A 26 -3.443 10.244 -5.286 1.00 0.00 C ATOM 55 OE1 GLU A 26 -2.740 11.206 -4.906 1.00 0.00 O ATOM 56 OE2 GLU A 26 -4.509 10.323 -5.933 1.00 0.00 O ATOM 0 H GLU A 26 -0.865 7.867 -1.413 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.743 7.855 -4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.033 8.094 -2.902 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.551 9.775 -3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.159 8.542 -5.609 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.765 8.125 -5.045 1.00 0.00 H new ATOM 63 N ILE A 27 0.041 10.321 -4.450 1.00 0.00 N ATOM 64 CA ILE A 27 0.875 11.509 -4.501 1.00 0.00 C ATOM 65 C ILE A 27 0.063 12.673 -5.074 1.00 0.00 C ATOM 66 O ILE A 27 -0.841 12.465 -5.882 1.00 0.00 O ATOM 67 CB ILE A 27 2.167 11.225 -5.270 1.00 0.00 C ATOM 68 CG1 ILE A 27 3.235 12.275 -4.955 1.00 0.00 C ATOM 69 CG2 ILE A 27 1.898 11.113 -6.772 1.00 0.00 C ATOM 70 CD1 ILE A 27 4.297 11.709 -4.010 1.00 0.00 C ATOM 0 H ILE A 27 -0.450 10.107 -5.318 1.00 0.00 H new ATOM 0 HA ILE A 27 1.185 11.799 -3.497 1.00 0.00 H new ATOM 0 HB ILE A 27 2.556 10.262 -4.940 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.706 12.609 -5.880 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.768 13.149 -4.502 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.833 10.911 -7.295 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.196 10.300 -6.956 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.473 12.048 -7.136 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.044 12.475 -3.802 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.826 11.399 -3.077 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.778 10.850 -4.477 1.00 0.00 H new ATOM 82 N ASP A 28 0.414 13.872 -4.632 1.00 0.00 N ATOM 83 CA ASP A 28 -0.271 15.068 -5.091 1.00 0.00 C ATOM 84 C ASP A 28 0.762 16.094 -5.560 1.00 0.00 C ATOM 85 O ASP A 28 1.215 16.927 -4.776 1.00 0.00 O ATOM 86 CB ASP A 28 -1.088 15.702 -3.963 1.00 0.00 C ATOM 87 CG ASP A 28 -2.397 16.360 -4.403 1.00 0.00 C ATOM 88 OD1 ASP A 28 -3.082 15.749 -5.252 1.00 0.00 O ATOM 89 OD2 ASP A 28 -2.683 17.459 -3.881 1.00 0.00 O ATOM 0 H ASP A 28 1.164 14.040 -3.961 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.939 14.783 -5.904 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.316 14.934 -3.224 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.472 16.451 -3.465 1.00 0.00 H new ATOM 94 N SER A 29 1.105 16.001 -6.836 1.00 0.00 N ATOM 95 CA SER A 29 2.076 16.911 -7.419 1.00 0.00 C ATOM 96 C SER A 29 1.453 18.296 -7.599 1.00 0.00 C ATOM 97 O SER A 29 2.164 19.299 -7.644 1.00 0.00 O ATOM 98 CB SER A 29 2.591 16.382 -8.759 1.00 0.00 C ATOM 99 OG SER A 29 4.005 16.517 -8.878 1.00 0.00 O ATOM 0 H SER A 29 0.727 15.309 -7.483 1.00 0.00 H new ATOM 0 HA SER A 29 2.924 16.987 -6.739 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.317 15.332 -8.864 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.106 16.921 -9.572 1.00 0.00 H new ATOM 0 HG SER A 29 4.295 16.167 -9.746 1.00 0.00 H new ATOM 105 N GLU A 30 0.132 18.308 -7.697 1.00 0.00 N ATOM 106 CA GLU A 30 -0.595 19.554 -7.871 1.00 0.00 C ATOM 107 C GLU A 30 -0.189 20.560 -6.792 1.00 0.00 C ATOM 108 O GLU A 30 0.160 21.699 -7.100 1.00 0.00 O ATOM 109 CB GLU A 30 -2.106 19.314 -7.857 1.00 0.00 C ATOM 110 CG GLU A 30 -2.681 19.357 -9.274 1.00 0.00 C ATOM 111 CD GLU A 30 -3.989 18.567 -9.359 1.00 0.00 C ATOM 112 OE1 GLU A 30 -5.029 19.150 -8.985 1.00 0.00 O ATOM 113 OE2 GLU A 30 -3.919 17.398 -9.795 1.00 0.00 O ATOM 0 H GLU A 30 -0.454 17.474 -7.659 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.336 19.971 -8.844 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.320 18.346 -7.403 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.592 20.070 -7.240 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.857 20.392 -9.568 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.957 18.945 -9.977 1.00 0.00 H new ATOM 120 N GLN A 31 -0.249 20.104 -5.550 1.00 0.00 N ATOM 121 CA GLN A 31 0.108 20.950 -4.424 1.00 0.00 C ATOM 122 C GLN A 31 1.453 20.514 -3.838 1.00 0.00 C ATOM 123 O GLN A 31 2.175 21.327 -3.263 1.00 0.00 O ATOM 124 CB GLN A 31 -0.987 20.932 -3.356 1.00 0.00 C ATOM 125 CG GLN A 31 -1.953 22.104 -3.541 1.00 0.00 C ATOM 126 CD GLN A 31 -2.255 22.781 -2.202 1.00 0.00 C ATOM 127 OE1 GLN A 31 -1.580 22.576 -1.207 1.00 0.00 O ATOM 128 NE2 GLN A 31 -3.304 23.598 -2.234 1.00 0.00 N ATOM 0 H GLN A 31 -0.540 19.159 -5.298 1.00 0.00 H new ATOM 0 HA GLN A 31 0.205 21.975 -4.781 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.536 19.992 -3.409 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.535 20.982 -2.366 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.522 22.830 -4.231 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.880 21.748 -3.990 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.826 23.724 -3.101 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.587 24.098 -1.391 1.00 0.00 H new ATOM 137 N GLY A 32 1.748 19.233 -4.004 1.00 0.00 N ATOM 138 CA GLY A 32 2.993 18.680 -3.499 1.00 0.00 C ATOM 139 C GLY A 32 2.753 17.858 -2.231 1.00 0.00 C ATOM 140 O GLY A 32 3.701 17.463 -1.555 1.00 0.00 O ATOM 0 H GLY A 32 1.146 18.562 -4.481 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.452 18.052 -4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.694 19.487 -3.286 1.00 0.00 H new ATOM 144 N VAL A 33 1.479 17.626 -1.946 1.00 0.00 N ATOM 145 CA VAL A 33 1.103 16.859 -0.771 1.00 0.00 C ATOM 146 C VAL A 33 0.927 15.390 -1.162 1.00 0.00 C ATOM 147 O VAL A 33 0.831 15.066 -2.344 1.00 0.00 O ATOM 148 CB VAL A 33 -0.149 17.462 -0.132 1.00 0.00 C ATOM 149 CG1 VAL A 33 -0.577 16.659 1.099 1.00 0.00 C ATOM 150 CG2 VAL A 33 0.071 18.934 0.223 1.00 0.00 C ATOM 0 H VAL A 33 0.695 17.956 -2.509 1.00 0.00 H new ATOM 0 HA VAL A 33 1.889 16.903 -0.017 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.956 17.411 -0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.469 17.109 1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.794 15.632 0.806 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.228 16.664 1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.834 19.338 0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.898 19.019 0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.306 19.495 -0.681 1.00 0.00 H new ATOM 160 N CYS A 34 0.889 14.541 -0.145 1.00 0.00 N ATOM 161 CA CYS A 34 0.726 13.115 -0.368 1.00 0.00 C ATOM 162 C CYS A 34 -0.442 12.625 0.492 1.00 0.00 C ATOM 163 O CYS A 34 -0.616 13.075 1.623 1.00 0.00 O ATOM 164 CB CYS A 34 2.014 12.345 -0.071 1.00 0.00 C ATOM 165 SG CYS A 34 3.450 13.231 -0.780 1.00 0.00 S ATOM 0 H CYS A 34 0.968 14.814 0.835 1.00 0.00 H new ATOM 0 HA CYS A 34 0.505 12.932 -1.420 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.141 12.233 1.006 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.952 11.341 -0.491 1.00 0.00 H new ATOM 0 HG CYS A 34 3.303 13.335 -2.068 1.00 0.00 H new ATOM 171 N SER A 35 -1.211 11.710 -0.079 1.00 0.00 N ATOM 172 CA SER A 35 -2.357 11.154 0.621 1.00 0.00 C ATOM 173 C SER A 35 -2.491 9.663 0.305 1.00 0.00 C ATOM 174 O SER A 35 -2.597 9.279 -0.858 1.00 0.00 O ATOM 175 CB SER A 35 -3.643 11.894 0.245 1.00 0.00 C ATOM 176 OG SER A 35 -4.223 11.382 -0.951 1.00 0.00 O ATOM 0 H SER A 35 -1.063 11.340 -1.018 1.00 0.00 H new ATOM 0 HA SER A 35 -2.197 11.278 1.692 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.361 11.810 1.061 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.427 12.955 0.118 1.00 0.00 H new ATOM 0 HG SER A 35 -3.680 10.638 -1.286 1.00 0.00 H new ATOM 182 N VAL A 36 -2.481 8.864 1.362 1.00 0.00 N ATOM 183 CA VAL A 36 -2.600 7.424 1.212 1.00 0.00 C ATOM 184 C VAL A 36 -4.057 7.011 1.431 1.00 0.00 C ATOM 185 O VAL A 36 -4.821 7.733 2.069 1.00 0.00 O ATOM 186 CB VAL A 36 -1.630 6.717 2.161 1.00 0.00 C ATOM 187 CG1 VAL A 36 -1.837 7.182 3.604 1.00 0.00 C ATOM 188 CG2 VAL A 36 -1.764 5.197 2.050 1.00 0.00 C ATOM 0 H VAL A 36 -2.392 9.187 2.326 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.324 7.122 0.202 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.616 6.986 1.865 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.135 6.664 4.257 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.667 8.257 3.668 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.857 6.957 3.916 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.064 4.719 2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.781 4.902 2.307 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.543 4.886 1.029 1.00 0.00 H new ATOM 198 N GLU A 37 -4.398 5.851 0.889 1.00 0.00 N ATOM 199 CA GLU A 37 -5.749 5.333 1.017 1.00 0.00 C ATOM 200 C GLU A 37 -5.805 4.256 2.102 1.00 0.00 C ATOM 201 O GLU A 37 -4.837 3.525 2.307 1.00 0.00 O ATOM 202 CB GLU A 37 -6.257 4.790 -0.320 1.00 0.00 C ATOM 203 CG GLU A 37 -7.430 5.625 -0.841 1.00 0.00 C ATOM 204 CD GLU A 37 -8.338 4.789 -1.745 1.00 0.00 C ATOM 205 OE1 GLU A 37 -7.823 4.302 -2.774 1.00 0.00 O ATOM 206 OE2 GLU A 37 -9.529 4.657 -1.386 1.00 0.00 O ATOM 0 H GLU A 37 -3.761 5.255 0.360 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.404 6.153 1.312 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.448 4.797 -1.051 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.569 3.753 -0.200 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.006 6.014 -0.001 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.052 6.485 -1.394 1.00 0.00 H new ATOM 213 N ILE A 38 -6.948 4.193 2.770 1.00 0.00 N ATOM 214 CA ILE A 38 -7.142 3.218 3.829 1.00 0.00 C ATOM 215 C ILE A 38 -8.639 3.059 4.102 1.00 0.00 C ATOM 216 O ILE A 38 -9.449 3.848 3.617 1.00 0.00 O ATOM 217 CB ILE A 38 -6.329 3.602 5.067 1.00 0.00 C ATOM 218 CG1 ILE A 38 -5.672 4.972 4.888 1.00 0.00 C ATOM 219 CG2 ILE A 38 -5.307 2.517 5.411 1.00 0.00 C ATOM 220 CD1 ILE A 38 -5.190 5.529 6.229 1.00 0.00 C ATOM 0 H ILE A 38 -7.749 4.801 2.598 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.768 2.242 3.521 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.012 3.680 5.913 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.830 4.888 4.201 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.383 5.664 4.437 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.743 2.815 6.295 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.825 1.579 5.611 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.623 2.382 4.573 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.727 6.503 6.073 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.038 5.634 6.905 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.461 4.847 6.665 1.00 0.00 H new ATOM 232 N GLU A 39 -8.962 2.033 4.877 1.00 0.00 N ATOM 233 CA GLU A 39 -10.347 1.761 5.219 1.00 0.00 C ATOM 234 C GLU A 39 -11.084 3.066 5.529 1.00 0.00 C ATOM 235 O GLU A 39 -12.294 3.162 5.332 1.00 0.00 O ATOM 236 CB GLU A 39 -10.440 0.786 6.395 1.00 0.00 C ATOM 237 CG GLU A 39 -9.995 1.455 7.698 1.00 0.00 C ATOM 238 CD GLU A 39 -11.169 1.601 8.667 1.00 0.00 C ATOM 239 OE1 GLU A 39 -11.844 2.650 8.587 1.00 0.00 O ATOM 240 OE2 GLU A 39 -11.365 0.661 9.468 1.00 0.00 O ATOM 0 H GLU A 39 -8.288 1.381 5.277 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.827 1.291 4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -11.465 0.430 6.497 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.817 -0.087 6.199 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.206 0.864 8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.573 2.436 7.482 1.00 0.00 H new ATOM 247 N GLY A 40 -10.322 4.038 6.010 1.00 0.00 N ATOM 248 CA GLY A 40 -10.888 5.333 6.349 1.00 0.00 C ATOM 249 C GLY A 40 -9.930 6.465 5.972 1.00 0.00 C ATOM 250 O GLY A 40 -9.475 7.211 6.838 1.00 0.00 O ATOM 0 H GLY A 40 -9.319 3.955 6.173 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.837 5.467 5.830 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.101 5.373 7.417 1.00 0.00 H new ATOM 254 N SER A 41 -9.652 6.557 4.680 1.00 0.00 N ATOM 255 CA SER A 41 -8.757 7.585 4.178 1.00 0.00 C ATOM 256 C SER A 41 -9.111 8.937 4.802 1.00 0.00 C ATOM 257 O SER A 41 -10.267 9.356 4.769 1.00 0.00 O ATOM 258 CB SER A 41 -8.819 7.673 2.652 1.00 0.00 C ATOM 259 OG SER A 41 -8.255 8.887 2.163 1.00 0.00 O ATOM 0 H SER A 41 -10.031 5.936 3.965 1.00 0.00 H new ATOM 0 HA SER A 41 -7.738 7.318 4.458 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.287 6.826 2.218 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.857 7.599 2.327 1.00 0.00 H new ATOM 0 HG SER A 41 -8.313 8.904 1.185 1.00 0.00 H new ATOM 265 N ARG A 42 -8.094 9.581 5.356 1.00 0.00 N ATOM 266 CA ARG A 42 -8.283 10.876 5.986 1.00 0.00 C ATOM 267 C ARG A 42 -6.956 11.393 6.546 1.00 0.00 C ATOM 268 O ARG A 42 -6.891 11.832 7.693 1.00 0.00 O ATOM 269 CB ARG A 42 -9.308 10.793 7.119 1.00 0.00 C ATOM 270 CG ARG A 42 -10.163 12.061 7.179 1.00 0.00 C ATOM 271 CD ARG A 42 -11.565 11.752 7.709 1.00 0.00 C ATOM 272 NE ARG A 42 -11.530 11.612 9.181 1.00 0.00 N ATOM 273 CZ ARG A 42 -12.574 11.218 9.924 1.00 0.00 C ATOM 274 NH1 ARG A 42 -13.741 10.923 9.335 1.00 0.00 N ATOM 275 NH2 ARG A 42 -12.450 11.118 11.254 1.00 0.00 N ATOM 0 H ARG A 42 -7.137 9.230 5.381 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.653 11.563 5.225 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.949 9.924 6.971 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.794 10.651 8.070 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.682 12.798 7.821 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.235 12.503 6.185 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.253 12.549 7.428 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.939 10.834 7.257 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.657 11.829 9.661 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.834 10.998 8.322 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.536 10.623 9.900 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.561 11.342 11.702 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.244 10.818 11.819 1.00 0.00 H new ATOM 289 N HIS A 43 -5.931 11.324 5.709 1.00 0.00 N ATOM 290 CA HIS A 43 -4.609 11.780 6.105 1.00 0.00 C ATOM 291 C HIS A 43 -4.128 12.863 5.138 1.00 0.00 C ATOM 292 O HIS A 43 -4.829 13.207 4.187 1.00 0.00 O ATOM 293 CB HIS A 43 -3.637 10.603 6.208 1.00 0.00 C ATOM 294 CG HIS A 43 -3.185 10.301 7.617 1.00 0.00 C ATOM 295 ND1 HIS A 43 -4.067 10.174 8.676 1.00 0.00 N ATOM 296 CD2 HIS A 43 -1.937 10.102 8.129 1.00 0.00 C ATOM 297 CE1 HIS A 43 -3.370 9.911 9.772 1.00 0.00 C ATOM 298 NE2 HIS A 43 -2.050 9.867 9.431 1.00 0.00 N ATOM 0 H HIS A 43 -5.989 10.959 4.758 1.00 0.00 H new ATOM 0 HA HIS A 43 -4.657 12.225 7.099 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.113 9.715 5.792 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -2.761 10.813 5.594 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -1.013 10.131 7.570 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -3.776 9.758 10.761 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -1.277 9.684 10.071 1.00 0.00 H new ATOM 306 N ARG A 44 -2.936 13.371 5.414 1.00 0.00 N ATOM 307 CA ARG A 44 -2.353 14.408 4.580 1.00 0.00 C ATOM 308 C ARG A 44 -0.977 14.809 5.116 1.00 0.00 C ATOM 309 O ARG A 44 -0.835 15.130 6.295 1.00 0.00 O ATOM 310 CB ARG A 44 -3.253 15.645 4.530 1.00 0.00 C ATOM 311 CG ARG A 44 -2.790 16.615 3.441 1.00 0.00 C ATOM 312 CD ARG A 44 -3.719 17.828 3.357 1.00 0.00 C ATOM 313 NE ARG A 44 -4.582 17.722 2.159 1.00 0.00 N ATOM 314 CZ ARG A 44 -5.683 18.458 1.959 1.00 0.00 C ATOM 315 NH1 ARG A 44 -6.064 19.358 2.877 1.00 0.00 N ATOM 316 NH2 ARG A 44 -6.405 18.294 0.843 1.00 0.00 N ATOM 0 H ARG A 44 -2.358 13.084 6.204 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.251 14.005 3.572 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.283 15.343 4.339 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.242 16.147 5.498 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.773 16.945 3.652 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.766 16.103 2.479 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.334 17.888 4.255 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.131 18.745 3.312 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.322 17.046 1.441 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.515 19.482 3.728 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.902 19.918 2.724 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.116 17.608 0.145 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.243 18.855 0.691 1.00 0.00 H new ATOM 330 N ALA A 45 0.002 14.777 4.224 1.00 0.00 N ATOM 331 CA ALA A 45 1.362 15.133 4.592 1.00 0.00 C ATOM 332 C ALA A 45 2.232 15.172 3.334 1.00 0.00 C ATOM 333 O ALA A 45 1.984 14.437 2.380 1.00 0.00 O ATOM 334 CB ALA A 45 1.885 14.141 5.633 1.00 0.00 C ATOM 0 H ALA A 45 -0.119 14.510 3.247 1.00 0.00 H new ATOM 0 HA ALA A 45 1.391 16.125 5.043 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.905 14.408 5.909 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.249 14.173 6.518 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.874 13.135 5.214 1.00 0.00 H new ATOM 340 N PRO A 46 3.262 16.059 3.375 1.00 0.00 N ATOM 341 CA PRO A 46 4.171 16.204 2.251 1.00 0.00 C ATOM 342 C PRO A 46 5.144 15.026 2.178 1.00 0.00 C ATOM 343 O PRO A 46 5.599 14.527 3.206 1.00 0.00 O ATOM 344 CB PRO A 46 4.867 17.536 2.476 1.00 0.00 C ATOM 345 CG PRO A 46 4.667 17.868 3.946 1.00 0.00 C ATOM 346 CD PRO A 46 3.587 16.946 4.489 1.00 0.00 C ATOM 0 HA PRO A 46 3.656 16.197 1.290 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.927 17.469 2.232 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.441 18.311 1.839 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.597 17.733 4.498 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.374 18.911 4.065 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.944 16.384 5.352 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.713 17.509 4.815 1.00 0.00 H new ATOM 354 N VAL A 47 5.435 14.614 0.952 1.00 0.00 N ATOM 355 CA VAL A 47 6.346 13.504 0.731 1.00 0.00 C ATOM 356 C VAL A 47 7.663 13.779 1.459 1.00 0.00 C ATOM 357 O VAL A 47 8.259 12.870 2.036 1.00 0.00 O ATOM 358 CB VAL A 47 6.529 13.268 -0.769 1.00 0.00 C ATOM 359 CG1 VAL A 47 7.961 13.591 -1.203 1.00 0.00 C ATOM 360 CG2 VAL A 47 6.151 11.836 -1.149 1.00 0.00 C ATOM 0 H VAL A 47 5.055 15.030 0.101 1.00 0.00 H new ATOM 0 HA VAL A 47 5.933 12.583 1.143 1.00 0.00 H new ATOM 0 HB VAL A 47 5.857 13.943 -1.299 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.065 13.415 -2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.181 14.636 -0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.658 12.952 -0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.290 11.695 -2.221 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.785 11.136 -0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.107 11.655 -0.892 1.00 0.00 H new ATOM 370 N ASP A 48 8.080 15.035 1.408 1.00 0.00 N ATOM 371 CA ASP A 48 9.316 15.441 2.056 1.00 0.00 C ATOM 372 C ASP A 48 9.195 15.212 3.564 1.00 0.00 C ATOM 373 O ASP A 48 10.191 15.261 4.284 1.00 0.00 O ATOM 374 CB ASP A 48 9.597 16.927 1.824 1.00 0.00 C ATOM 375 CG ASP A 48 8.588 17.883 2.463 1.00 0.00 C ATOM 376 OD1 ASP A 48 8.427 17.796 3.700 1.00 0.00 O ATOM 377 OD2 ASP A 48 7.999 18.679 1.700 1.00 0.00 O ATOM 0 H ASP A 48 7.584 15.786 0.928 1.00 0.00 H new ATOM 0 HA ASP A 48 10.129 14.850 1.633 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.589 17.158 2.211 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.622 17.113 0.750 1.00 0.00 H new ATOM 382 N SER A 49 7.968 14.965 3.997 1.00 0.00 N ATOM 383 CA SER A 49 7.705 14.729 5.406 1.00 0.00 C ATOM 384 C SER A 49 7.269 13.277 5.620 1.00 0.00 C ATOM 385 O SER A 49 6.569 12.972 6.584 1.00 0.00 O ATOM 386 CB SER A 49 6.636 15.687 5.935 1.00 0.00 C ATOM 387 OG SER A 49 7.188 16.943 6.321 1.00 0.00 O ATOM 0 H SER A 49 7.144 14.923 3.397 1.00 0.00 H new ATOM 0 HA SER A 49 8.625 14.912 5.961 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.879 15.845 5.167 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.134 15.234 6.790 1.00 0.00 H new ATOM 0 HG SER A 49 7.624 17.360 5.549 1.00 0.00 H new ATOM 393 N LEU A 50 7.702 12.422 4.706 1.00 0.00 N ATOM 394 CA LEU A 50 7.366 11.011 4.782 1.00 0.00 C ATOM 395 C LEU A 50 8.569 10.233 5.322 1.00 0.00 C ATOM 396 O LEU A 50 9.604 10.821 5.632 1.00 0.00 O ATOM 397 CB LEU A 50 6.864 10.505 3.428 1.00 0.00 C ATOM 398 CG LEU A 50 5.447 10.929 3.038 1.00 0.00 C ATOM 399 CD1 LEU A 50 5.083 10.408 1.646 1.00 0.00 C ATOM 400 CD2 LEU A 50 4.432 10.492 4.097 1.00 0.00 C ATOM 0 H LEU A 50 8.283 12.679 3.908 1.00 0.00 H new ATOM 0 HA LEU A 50 6.544 10.853 5.480 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.551 10.851 2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.909 9.416 3.430 1.00 0.00 H new ATOM 0 HG LEU A 50 5.416 12.018 2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.071 10.723 1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.782 10.810 0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.136 9.319 1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.433 10.806 3.795 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.456 9.407 4.198 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.683 10.951 5.053 1.00 0.00 H new ATOM 412 N ARG A 51 8.392 8.924 5.417 1.00 0.00 N ATOM 413 CA ARG A 51 9.449 8.060 5.913 1.00 0.00 C ATOM 414 C ARG A 51 9.172 6.605 5.526 1.00 0.00 C ATOM 415 O ARG A 51 8.070 6.102 5.740 1.00 0.00 O ATOM 416 CB ARG A 51 9.574 8.160 7.435 1.00 0.00 C ATOM 417 CG ARG A 51 10.711 7.276 7.951 1.00 0.00 C ATOM 418 CD ARG A 51 11.961 8.108 8.248 1.00 0.00 C ATOM 419 NE ARG A 51 12.493 7.763 9.585 1.00 0.00 N ATOM 420 CZ ARG A 51 13.459 8.450 10.209 1.00 0.00 C ATOM 421 NH1 ARG A 51 14.005 9.524 9.621 1.00 0.00 N ATOM 422 NH2 ARG A 51 13.879 8.065 11.422 1.00 0.00 N ATOM 0 H ARG A 51 7.532 8.440 5.159 1.00 0.00 H new ATOM 0 HA ARG A 51 10.385 8.388 5.460 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.755 9.196 7.721 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.635 7.860 7.901 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.392 6.757 8.855 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.946 6.511 7.211 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.720 7.924 7.487 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.719 9.170 8.207 1.00 0.00 H new ATOM 0 HE ARG A 51 12.100 6.951 10.061 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.685 9.818 8.698 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.741 10.047 10.096 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.463 7.249 11.870 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.615 8.588 11.897 1.00 0.00 H new ATOM 436 N ILE A 52 10.191 5.972 4.964 1.00 0.00 N ATOM 437 CA ILE A 52 10.071 4.586 4.545 1.00 0.00 C ATOM 438 C ILE A 52 10.853 3.696 5.513 1.00 0.00 C ATOM 439 O ILE A 52 11.941 4.060 5.956 1.00 0.00 O ATOM 440 CB ILE A 52 10.496 4.428 3.084 1.00 0.00 C ATOM 441 CG1 ILE A 52 9.593 5.246 2.159 1.00 0.00 C ATOM 442 CG2 ILE A 52 10.543 2.953 2.683 1.00 0.00 C ATOM 443 CD1 ILE A 52 9.576 4.656 0.748 1.00 0.00 C ATOM 0 H ILE A 52 11.103 6.393 4.789 1.00 0.00 H new ATOM 0 HA ILE A 52 9.030 4.265 4.586 1.00 0.00 H new ATOM 0 HB ILE A 52 11.507 4.822 2.978 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.580 5.268 2.560 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.943 6.277 2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.848 2.869 1.640 1.00 0.00 H new ATOM 0 HG22 ILE A 52 11.260 2.427 3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.555 2.510 2.809 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.927 5.256 0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 52 10.587 4.658 0.341 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.202 3.633 0.786 1.00 0.00 H new ATOM 455 N GLY A 53 10.269 2.545 5.813 1.00 0.00 N ATOM 456 CA GLY A 53 10.898 1.600 6.720 1.00 0.00 C ATOM 457 C GLY A 53 10.676 0.160 6.252 1.00 0.00 C ATOM 458 O GLY A 53 10.017 -0.073 5.240 1.00 0.00 O ATOM 0 H GLY A 53 9.367 2.245 5.444 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.967 1.806 6.781 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.491 1.727 7.723 1.00 0.00 H new ATOM 462 N THR A 54 11.239 -0.768 7.012 1.00 0.00 N ATOM 463 CA THR A 54 11.111 -2.179 6.688 1.00 0.00 C ATOM 464 C THR A 54 10.574 -2.956 7.891 1.00 0.00 C ATOM 465 O THR A 54 10.964 -2.694 9.028 1.00 0.00 O ATOM 466 CB THR A 54 12.473 -2.678 6.202 1.00 0.00 C ATOM 467 OG1 THR A 54 12.732 -1.900 5.036 1.00 0.00 O ATOM 468 CG2 THR A 54 12.420 -4.117 5.685 1.00 0.00 C ATOM 0 H THR A 54 11.785 -0.571 7.851 1.00 0.00 H new ATOM 0 HA THR A 54 10.387 -2.337 5.889 1.00 0.00 H new ATOM 0 HB THR A 54 13.195 -2.611 7.016 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.695 -1.737 4.959 1.00 0.00 H new ATOM 0 HG21 THR A 54 13.413 -4.421 5.353 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.086 -4.779 6.484 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.723 -4.178 4.849 1.00 0.00 H new ATOM 476 N ASP A 55 9.686 -3.896 7.599 1.00 0.00 N ATOM 477 CA ASP A 55 9.091 -4.713 8.643 1.00 0.00 C ATOM 478 C ASP A 55 9.745 -6.096 8.637 1.00 0.00 C ATOM 479 O ASP A 55 9.526 -6.886 7.721 1.00 0.00 O ATOM 480 CB ASP A 55 7.591 -4.898 8.409 1.00 0.00 C ATOM 481 CG ASP A 55 6.704 -4.575 9.613 1.00 0.00 C ATOM 482 OD1 ASP A 55 5.544 -4.176 9.373 1.00 0.00 O ATOM 483 OD2 ASP A 55 7.205 -4.734 10.747 1.00 0.00 O ATOM 0 H ASP A 55 9.365 -4.110 6.655 1.00 0.00 H new ATOM 0 HA ASP A 55 9.248 -4.209 9.597 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.288 -4.266 7.574 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.410 -5.930 8.110 1.00 0.00 H new ATOM 488 N ALA A 56 10.535 -6.346 9.671 1.00 0.00 N ATOM 489 CA ALA A 56 11.222 -7.620 9.797 1.00 0.00 C ATOM 490 C ALA A 56 10.199 -8.720 10.086 1.00 0.00 C ATOM 491 O ALA A 56 10.528 -9.905 10.048 1.00 0.00 O ATOM 492 CB ALA A 56 12.293 -7.518 10.885 1.00 0.00 C ATOM 0 H ALA A 56 10.715 -5.688 10.429 1.00 0.00 H new ATOM 0 HA ALA A 56 11.728 -7.877 8.866 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.808 -8.474 10.979 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.012 -6.743 10.617 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.823 -7.264 11.835 1.00 0.00 H new ATOM 498 N GLU A 57 8.979 -8.289 10.370 1.00 0.00 N ATOM 499 CA GLU A 57 7.906 -9.223 10.666 1.00 0.00 C ATOM 500 C GLU A 57 7.628 -10.115 9.454 1.00 0.00 C ATOM 501 O GLU A 57 7.381 -11.310 9.602 1.00 0.00 O ATOM 502 CB GLU A 57 6.640 -8.483 11.103 1.00 0.00 C ATOM 503 CG GLU A 57 6.883 -7.696 12.392 1.00 0.00 C ATOM 504 CD GLU A 57 6.965 -8.632 13.599 1.00 0.00 C ATOM 505 OE1 GLU A 57 7.990 -9.341 13.699 1.00 0.00 O ATOM 506 OE2 GLU A 57 6.001 -8.619 14.395 1.00 0.00 O ATOM 0 H GLU A 57 8.710 -7.306 10.401 1.00 0.00 H new ATOM 0 HA GLU A 57 8.222 -9.857 11.494 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.320 -7.804 10.313 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.831 -9.197 11.256 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.808 -7.126 12.306 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.078 -6.976 12.540 1.00 0.00 H new ATOM 513 N ALA A 58 7.680 -9.499 8.282 1.00 0.00 N ATOM 514 CA ALA A 58 7.437 -10.222 7.045 1.00 0.00 C ATOM 515 C ALA A 58 8.519 -9.857 6.026 1.00 0.00 C ATOM 516 O ALA A 58 8.383 -10.153 4.840 1.00 0.00 O ATOM 517 CB ALA A 58 6.028 -9.907 6.538 1.00 0.00 C ATOM 0 H ALA A 58 7.887 -8.507 8.163 1.00 0.00 H new ATOM 0 HA ALA A 58 7.490 -11.298 7.212 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.846 -10.449 5.610 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.296 -10.211 7.286 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.938 -8.836 6.356 1.00 0.00 H new ATOM 523 N ARG A 59 9.567 -9.221 6.526 1.00 0.00 N ATOM 524 CA ARG A 59 10.671 -8.813 5.674 1.00 0.00 C ATOM 525 C ARG A 59 10.149 -8.035 4.465 1.00 0.00 C ATOM 526 O ARG A 59 10.512 -8.331 3.327 1.00 0.00 O ATOM 527 CB ARG A 59 11.468 -10.025 5.187 1.00 0.00 C ATOM 528 CG ARG A 59 12.142 -10.745 6.357 1.00 0.00 C ATOM 529 CD ARG A 59 12.979 -11.926 5.864 1.00 0.00 C ATOM 530 NE ARG A 59 12.098 -13.068 5.531 1.00 0.00 N ATOM 531 CZ ARG A 59 11.566 -13.897 6.439 1.00 0.00 C ATOM 532 NH1 ARG A 59 11.823 -13.717 7.742 1.00 0.00 N ATOM 533 NH2 ARG A 59 10.777 -14.906 6.045 1.00 0.00 N ATOM 0 H ARG A 59 9.676 -8.978 7.511 1.00 0.00 H new ATOM 0 HA ARG A 59 11.328 -8.175 6.265 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.805 -10.715 4.665 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.223 -9.704 4.470 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.777 -10.046 6.901 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.384 -11.098 7.056 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.555 -11.633 4.986 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.695 -12.220 6.631 1.00 0.00 H new ATOM 0 HE ARG A 59 11.882 -13.234 4.548 1.00 0.00 H new ATOM 0 HH11 ARG A 59 12.423 -12.949 8.042 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.418 -14.348 8.434 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.581 -15.043 5.053 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.372 -15.537 6.737 1.00 0.00 H new ATOM 547 N LEU A 60 9.305 -7.054 4.751 1.00 0.00 N ATOM 548 CA LEU A 60 8.730 -6.231 3.701 1.00 0.00 C ATOM 549 C LEU A 60 8.905 -4.755 4.062 1.00 0.00 C ATOM 550 O LEU A 60 9.193 -4.423 5.211 1.00 0.00 O ATOM 551 CB LEU A 60 7.276 -6.633 3.443 1.00 0.00 C ATOM 552 CG LEU A 60 6.212 -5.801 4.162 1.00 0.00 C ATOM 553 CD1 LEU A 60 4.860 -5.910 3.455 1.00 0.00 C ATOM 554 CD2 LEU A 60 6.120 -6.188 5.639 1.00 0.00 C ATOM 0 H LEU A 60 9.006 -6.811 5.695 1.00 0.00 H new ATOM 0 HA LEU A 60 9.254 -6.393 2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.089 -6.577 2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.151 -7.676 3.734 1.00 0.00 H new ATOM 0 HG LEU A 60 6.512 -4.754 4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.122 -5.309 3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.954 -5.547 2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.539 -6.952 3.442 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.357 -5.582 6.127 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.855 -7.242 5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.083 -6.016 6.121 1.00 0.00 H new ATOM 566 N SER A 61 8.724 -3.908 3.060 1.00 0.00 N ATOM 567 CA SER A 61 8.859 -2.475 3.257 1.00 0.00 C ATOM 568 C SER A 61 7.558 -1.900 3.822 1.00 0.00 C ATOM 569 O SER A 61 6.471 -2.368 3.486 1.00 0.00 O ATOM 570 CB SER A 61 9.226 -1.771 1.950 1.00 0.00 C ATOM 571 OG SER A 61 10.476 -2.222 1.433 1.00 0.00 O ATOM 0 H SER A 61 8.485 -4.187 2.108 1.00 0.00 H new ATOM 0 HA SER A 61 9.666 -2.303 3.970 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.444 -1.947 1.212 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.270 -0.695 2.118 1.00 0.00 H new ATOM 0 HG SER A 61 10.468 -2.158 0.455 1.00 0.00 H new ATOM 577 N VAL A 62 7.713 -0.894 4.670 1.00 0.00 N ATOM 578 CA VAL A 62 6.564 -0.250 5.285 1.00 0.00 C ATOM 579 C VAL A 62 6.623 1.255 5.015 1.00 0.00 C ATOM 580 O VAL A 62 7.643 1.767 4.555 1.00 0.00 O ATOM 581 CB VAL A 62 6.511 -0.588 6.776 1.00 0.00 C ATOM 582 CG1 VAL A 62 5.890 -1.968 7.004 1.00 0.00 C ATOM 583 CG2 VAL A 62 7.901 -0.502 7.408 1.00 0.00 C ATOM 0 H VAL A 62 8.616 -0.509 4.946 1.00 0.00 H new ATOM 0 HA VAL A 62 5.638 -0.623 4.848 1.00 0.00 H new ATOM 0 HB VAL A 62 5.875 0.151 7.264 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.864 -2.183 8.072 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.875 -1.980 6.607 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.488 -2.724 6.496 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.835 -0.747 8.468 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.570 -1.207 6.914 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.291 0.509 7.293 1.00 0.00 H new ATOM 593 N LEU A 63 5.517 1.921 5.312 1.00 0.00 N ATOM 594 CA LEU A 63 5.430 3.356 5.108 1.00 0.00 C ATOM 595 C LEU A 63 4.989 4.027 6.410 1.00 0.00 C ATOM 596 O LEU A 63 4.126 3.510 7.118 1.00 0.00 O ATOM 597 CB LEU A 63 4.526 3.674 3.915 1.00 0.00 C ATOM 598 CG LEU A 63 3.806 5.023 3.960 1.00 0.00 C ATOM 599 CD1 LEU A 63 2.650 4.995 4.962 1.00 0.00 C ATOM 600 CD2 LEU A 63 4.788 6.159 4.250 1.00 0.00 C ATOM 0 H LEU A 63 4.673 1.493 5.693 1.00 0.00 H new ATOM 0 HA LEU A 63 6.408 3.764 4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.129 3.636 3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.776 2.887 3.833 1.00 0.00 H new ATOM 0 HG LEU A 63 3.375 5.213 2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.155 5.966 4.974 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.934 4.227 4.670 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.036 4.772 5.957 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.250 7.107 4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.269 5.987 5.213 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.546 6.194 3.467 1.00 0.00 H new ATOM 612 N TYR A 64 5.600 5.170 6.687 1.00 0.00 N ATOM 613 CA TYR A 64 5.281 5.917 7.891 1.00 0.00 C ATOM 614 C TYR A 64 4.773 7.318 7.549 1.00 0.00 C ATOM 615 O TYR A 64 5.534 8.160 7.073 1.00 0.00 O ATOM 616 CB TYR A 64 6.592 6.039 8.671 1.00 0.00 C ATOM 617 CG TYR A 64 6.966 4.783 9.461 1.00 0.00 C ATOM 618 CD1 TYR A 64 7.307 3.624 8.794 1.00 0.00 C ATOM 619 CD2 TYR A 64 6.962 4.810 10.841 1.00 0.00 C ATOM 620 CE1 TYR A 64 7.659 2.442 9.537 1.00 0.00 C ATOM 621 CE2 TYR A 64 7.314 3.628 11.584 1.00 0.00 C ATOM 622 CZ TYR A 64 7.645 2.502 10.896 1.00 0.00 C ATOM 623 OH TYR A 64 7.977 1.386 11.598 1.00 0.00 O ATOM 0 H TYR A 64 6.315 5.597 6.097 1.00 0.00 H new ATOM 0 HA TYR A 64 4.501 5.412 8.460 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.397 6.270 7.974 1.00 0.00 H new ATOM 0 HB3 TYR A 64 6.516 6.880 9.360 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.310 3.604 7.714 1.00 0.00 H new ATOM 0 HD2 TYR A 64 6.695 5.717 11.363 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.928 1.529 9.027 1.00 0.00 H new ATOM 0 HE2 TYR A 64 7.315 3.635 12.664 1.00 0.00 H new ATOM 0 HH TYR A 64 7.925 1.576 12.558 1.00 0.00 H new ATOM 633 N ILE A 65 3.489 7.526 7.804 1.00 0.00 N ATOM 634 CA ILE A 65 2.870 8.811 7.529 1.00 0.00 C ATOM 635 C ILE A 65 2.296 9.385 8.826 1.00 0.00 C ATOM 636 O ILE A 65 1.216 8.988 9.260 1.00 0.00 O ATOM 637 CB ILE A 65 1.839 8.680 6.406 1.00 0.00 C ATOM 638 CG1 ILE A 65 1.361 10.055 5.937 1.00 0.00 C ATOM 639 CG2 ILE A 65 0.675 7.783 6.832 1.00 0.00 C ATOM 640 CD1 ILE A 65 0.270 9.923 4.872 1.00 0.00 C ATOM 0 H ILE A 65 2.861 6.826 8.198 1.00 0.00 H new ATOM 0 HA ILE A 65 3.613 9.521 7.167 1.00 0.00 H new ATOM 0 HB ILE A 65 2.321 8.199 5.555 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.978 10.620 6.787 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.202 10.618 5.533 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.043 7.707 6.016 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.052 6.790 7.078 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.186 8.212 7.707 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.052 10.915 4.556 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.664 9.379 4.014 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.580 9.381 5.287 1.00 0.00 H new ATOM 652 N ASP A 66 3.045 10.309 9.409 1.00 0.00 N ATOM 653 CA ASP A 66 2.625 10.941 10.648 1.00 0.00 C ATOM 654 C ASP A 66 2.483 9.875 11.737 1.00 0.00 C ATOM 655 O ASP A 66 1.370 9.514 12.116 1.00 0.00 O ATOM 656 CB ASP A 66 1.269 11.630 10.482 1.00 0.00 C ATOM 657 CG ASP A 66 1.337 13.138 10.232 1.00 0.00 C ATOM 658 OD1 ASP A 66 0.284 13.790 10.405 1.00 0.00 O ATOM 659 OD2 ASP A 66 2.440 13.605 9.874 1.00 0.00 O ATOM 0 H ASP A 66 3.941 10.635 9.046 1.00 0.00 H new ATOM 0 HA ASP A 66 3.376 11.683 10.920 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.740 11.163 9.651 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.675 11.452 11.379 1.00 0.00 H new ATOM 664 N GLY A 67 3.627 9.401 12.209 1.00 0.00 N ATOM 665 CA GLY A 67 3.644 8.384 13.246 1.00 0.00 C ATOM 666 C GLY A 67 2.732 7.211 12.880 1.00 0.00 C ATOM 667 O GLY A 67 1.831 6.859 13.640 1.00 0.00 O ATOM 0 H GLY A 67 4.548 9.703 11.892 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.663 8.025 13.392 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.321 8.819 14.192 1.00 0.00 H new ATOM 671 N LYS A 68 2.998 6.638 11.715 1.00 0.00 N ATOM 672 CA LYS A 68 2.212 5.513 11.238 1.00 0.00 C ATOM 673 C LYS A 68 3.149 4.354 10.889 1.00 0.00 C ATOM 674 O LYS A 68 4.350 4.553 10.717 1.00 0.00 O ATOM 675 CB LYS A 68 1.308 5.942 10.081 1.00 0.00 C ATOM 676 CG LYS A 68 -0.147 6.067 10.538 1.00 0.00 C ATOM 677 CD LYS A 68 -1.111 5.787 9.384 1.00 0.00 C ATOM 678 CE LYS A 68 -2.564 5.973 9.826 1.00 0.00 C ATOM 679 NZ LYS A 68 -3.296 4.689 9.757 1.00 0.00 N ATOM 0 H LYS A 68 3.747 6.932 11.088 1.00 0.00 H new ATOM 0 HA LYS A 68 1.541 5.158 12.021 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.651 6.897 9.682 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.377 5.215 9.272 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.337 5.368 11.353 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.324 7.069 10.929 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.892 6.456 8.552 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.965 4.769 9.022 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.594 6.361 10.844 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.052 6.711 9.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.280 4.834 10.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.284 4.334 8.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.839 3.995 10.383 1.00 0.00 H new ATOM 693 N ARG A 69 2.563 3.170 10.796 1.00 0.00 N ATOM 694 CA ARG A 69 3.330 1.979 10.471 1.00 0.00 C ATOM 695 C ARG A 69 2.448 0.961 9.745 1.00 0.00 C ATOM 696 O ARG A 69 1.617 0.300 10.366 1.00 0.00 O ATOM 697 CB ARG A 69 3.908 1.335 11.733 1.00 0.00 C ATOM 698 CG ARG A 69 4.909 0.234 11.377 1.00 0.00 C ATOM 699 CD ARG A 69 4.187 -1.060 10.994 1.00 0.00 C ATOM 700 NE ARG A 69 4.866 -2.220 11.613 1.00 0.00 N ATOM 701 CZ ARG A 69 4.382 -3.470 11.598 1.00 0.00 C ATOM 702 NH1 ARG A 69 3.213 -3.728 10.996 1.00 0.00 N ATOM 703 NH2 ARG A 69 5.066 -4.461 12.185 1.00 0.00 N ATOM 0 H ARG A 69 1.566 3.009 10.940 1.00 0.00 H new ATOM 0 HA ARG A 69 4.152 2.281 9.822 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.399 2.095 12.341 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.101 0.917 12.335 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.538 0.563 10.549 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.569 0.049 12.225 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.149 -1.018 11.323 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.174 -1.172 9.910 1.00 0.00 H new ATOM 0 HE ARG A 69 5.758 -2.058 12.080 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.692 -2.973 10.549 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.844 -4.679 10.984 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.956 -4.265 12.644 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.697 -5.412 12.173 1.00 0.00 H new ATOM 717 N LEU A 70 2.659 0.867 8.441 1.00 0.00 N ATOM 718 CA LEU A 70 1.893 -0.060 7.624 1.00 0.00 C ATOM 719 C LEU A 70 2.763 -0.548 6.464 1.00 0.00 C ATOM 720 O LEU A 70 3.860 -0.036 6.246 1.00 0.00 O ATOM 721 CB LEU A 70 0.577 0.581 7.178 1.00 0.00 C ATOM 722 CG LEU A 70 0.625 1.370 5.869 1.00 0.00 C ATOM 723 CD1 LEU A 70 -0.415 0.847 4.875 1.00 0.00 C ATOM 724 CD2 LEU A 70 0.467 2.870 6.126 1.00 0.00 C ATOM 0 H LEU A 70 3.349 1.417 7.929 1.00 0.00 H new ATOM 0 HA LEU A 70 1.612 -0.939 8.205 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.171 -0.205 7.078 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.235 1.248 7.969 1.00 0.00 H new ATOM 0 HG LEU A 70 1.606 1.222 5.418 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.360 1.425 3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.215 -0.202 4.658 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.411 0.945 5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.505 3.407 5.178 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.491 3.057 6.611 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.274 3.216 6.772 1.00 0.00 H new ATOM 736 N HIS A 71 2.241 -1.534 5.749 1.00 0.00 N ATOM 737 CA HIS A 71 2.956 -2.098 4.617 1.00 0.00 C ATOM 738 C HIS A 71 2.275 -1.669 3.315 1.00 0.00 C ATOM 739 O HIS A 71 1.179 -2.132 3.002 1.00 0.00 O ATOM 740 CB HIS A 71 3.075 -3.617 4.751 1.00 0.00 C ATOM 741 CG HIS A 71 1.876 -4.273 5.395 1.00 0.00 C ATOM 742 ND1 HIS A 71 0.542 -4.025 5.255 1.00 0.00 N flip ATOM 743 CD2 HIS A 71 1.987 -5.313 6.302 1.00 0.00 C flip ATOM 744 CE1 HIS A 71 -0.125 -4.868 6.032 1.00 0.00 C flip ATOM 745 NE2 HIS A 71 0.769 -5.667 6.682 1.00 0.00 N flip ATOM 0 H HIS A 71 1.331 -1.957 5.932 1.00 0.00 H new ATOM 0 HA HIS A 71 3.975 -1.713 4.598 1.00 0.00 H new ATOM 0 HB2 HIS A 71 3.224 -4.048 3.761 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.963 -3.851 5.338 1.00 0.00 H new ATOM 0 HD1 HIS A 71 0.128 -3.312 4.655 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.910 -5.760 6.642 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.199 -4.914 6.133 1.00 0.00 H new ATOM 753 N ILE A 72 2.953 -0.790 2.592 1.00 0.00 N ATOM 754 CA ILE A 72 2.427 -0.294 1.332 1.00 0.00 C ATOM 755 C ILE A 72 3.014 -1.114 0.181 1.00 0.00 C ATOM 756 O ILE A 72 3.989 -1.841 0.367 1.00 0.00 O ATOM 757 CB ILE A 72 2.675 1.210 1.203 1.00 0.00 C ATOM 758 CG1 ILE A 72 4.160 1.538 1.371 1.00 0.00 C ATOM 759 CG2 ILE A 72 1.800 1.996 2.183 1.00 0.00 C ATOM 760 CD1 ILE A 72 4.506 2.871 0.704 1.00 0.00 C ATOM 0 H ILE A 72 3.862 -0.409 2.855 1.00 0.00 H new ATOM 0 HA ILE A 72 1.345 -0.420 1.295 1.00 0.00 H new ATOM 0 HB ILE A 72 2.389 1.518 0.197 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.409 1.583 2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.764 0.742 0.935 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.996 3.062 2.071 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.749 1.796 1.974 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.031 1.690 3.203 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.567 3.080 0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.279 2.815 -0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.919 3.669 1.159 1.00 0.00 H new ATOM 772 N SER A 73 2.396 -0.970 -0.982 1.00 0.00 N ATOM 773 CA SER A 73 2.845 -1.689 -2.162 1.00 0.00 C ATOM 774 C SER A 73 4.308 -1.351 -2.455 1.00 0.00 C ATOM 775 O SER A 73 4.745 -0.223 -2.233 1.00 0.00 O ATOM 776 CB SER A 73 1.971 -1.358 -3.374 1.00 0.00 C ATOM 777 OG SER A 73 1.248 -2.496 -3.836 1.00 0.00 O ATOM 0 H SER A 73 1.588 -0.366 -1.132 1.00 0.00 H new ATOM 0 HA SER A 73 2.758 -2.758 -1.966 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.270 -0.566 -3.111 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.598 -0.975 -4.179 1.00 0.00 H new ATOM 0 HG SER A 73 0.701 -2.244 -4.609 1.00 0.00 H new ATOM 783 N GLU A 74 5.025 -2.349 -2.950 1.00 0.00 N ATOM 784 CA GLU A 74 6.430 -2.172 -3.277 1.00 0.00 C ATOM 785 C GLU A 74 6.605 -1.010 -4.256 1.00 0.00 C ATOM 786 O GLU A 74 7.341 -0.065 -3.979 1.00 0.00 O ATOM 787 CB GLU A 74 7.028 -3.462 -3.842 1.00 0.00 C ATOM 788 CG GLU A 74 8.003 -4.096 -2.849 1.00 0.00 C ATOM 789 CD GLU A 74 9.287 -4.543 -3.551 1.00 0.00 C ATOM 790 OE1 GLU A 74 9.702 -3.825 -4.486 1.00 0.00 O ATOM 791 OE2 GLU A 74 9.825 -5.592 -3.136 1.00 0.00 O ATOM 0 H GLU A 74 4.659 -3.283 -3.133 1.00 0.00 H new ATOM 0 HA GLU A 74 6.969 -1.932 -2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.229 -4.167 -4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.544 -3.248 -4.778 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.244 -3.380 -2.063 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.531 -4.952 -2.367 1.00 0.00 H new ATOM 798 N GLU A 75 5.915 -1.119 -5.383 1.00 0.00 N ATOM 799 CA GLU A 75 5.985 -0.089 -6.405 1.00 0.00 C ATOM 800 C GLU A 75 5.609 1.272 -5.815 1.00 0.00 C ATOM 801 O GLU A 75 6.250 2.279 -6.109 1.00 0.00 O ATOM 802 CB GLU A 75 5.090 -0.437 -7.596 1.00 0.00 C ATOM 803 CG GLU A 75 3.612 -0.386 -7.204 1.00 0.00 C ATOM 804 CD GLU A 75 2.747 -1.121 -8.230 1.00 0.00 C ATOM 805 OE1 GLU A 75 2.274 -2.226 -7.885 1.00 0.00 O ATOM 806 OE2 GLU A 75 2.578 -0.562 -9.335 1.00 0.00 O ATOM 0 H GLU A 75 5.305 -1.905 -5.610 1.00 0.00 H new ATOM 0 HA GLU A 75 7.011 -0.034 -6.768 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.278 0.260 -8.413 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.338 -1.433 -7.964 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.477 -0.836 -6.220 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.288 0.652 -7.127 1.00 0.00 H new ATOM 813 N ASP A 76 4.570 1.257 -4.992 1.00 0.00 N ATOM 814 CA ASP A 76 4.100 2.477 -4.358 1.00 0.00 C ATOM 815 C ASP A 76 5.163 2.979 -3.378 1.00 0.00 C ATOM 816 O ASP A 76 5.443 4.175 -3.320 1.00 0.00 O ATOM 817 CB ASP A 76 2.812 2.228 -3.572 1.00 0.00 C ATOM 818 CG ASP A 76 1.529 2.684 -4.271 1.00 0.00 C ATOM 819 OD1 ASP A 76 0.463 2.138 -3.913 1.00 0.00 O ATOM 820 OD2 ASP A 76 1.644 3.568 -5.147 1.00 0.00 O ATOM 0 H ASP A 76 4.041 0.419 -4.750 1.00 0.00 H new ATOM 0 HA ASP A 76 3.908 3.212 -5.140 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.733 1.162 -3.361 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.886 2.738 -2.612 1.00 0.00 H new ATOM 825 N ALA A 77 5.725 2.039 -2.632 1.00 0.00 N ATOM 826 CA ALA A 77 6.750 2.371 -1.657 1.00 0.00 C ATOM 827 C ALA A 77 7.949 2.993 -2.377 1.00 0.00 C ATOM 828 O ALA A 77 8.653 3.827 -1.809 1.00 0.00 O ATOM 829 CB ALA A 77 7.130 1.117 -0.869 1.00 0.00 C ATOM 0 H ALA A 77 5.490 1.048 -2.683 1.00 0.00 H new ATOM 0 HA ALA A 77 6.377 3.104 -0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.899 1.366 -0.138 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.251 0.731 -0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.512 0.359 -1.553 1.00 0.00 H new ATOM 835 N GLN A 78 8.143 2.565 -3.615 1.00 0.00 N ATOM 836 CA GLN A 78 9.244 3.069 -4.417 1.00 0.00 C ATOM 837 C GLN A 78 8.921 4.470 -4.942 1.00 0.00 C ATOM 838 O GLN A 78 9.791 5.338 -4.981 1.00 0.00 O ATOM 839 CB GLN A 78 9.567 2.114 -5.568 1.00 0.00 C ATOM 840 CG GLN A 78 10.945 2.416 -6.161 1.00 0.00 C ATOM 841 CD GLN A 78 12.027 2.382 -5.079 1.00 0.00 C ATOM 842 OE1 GLN A 78 12.506 3.579 -4.756 1.00 0.00 O flip ATOM 843 NE2 GLN A 78 12.401 1.337 -4.572 1.00 0.00 N flip ATOM 0 H GLN A 78 7.556 1.874 -4.083 1.00 0.00 H new ATOM 0 HA GLN A 78 10.128 3.134 -3.783 1.00 0.00 H new ATOM 0 HB2 GLN A 78 9.539 1.085 -5.210 1.00 0.00 H new ATOM 0 HB3 GLN A 78 8.806 2.203 -6.343 1.00 0.00 H new ATOM 0 HG2 GLN A 78 11.179 1.687 -6.937 1.00 0.00 H new ATOM 0 HG3 GLN A 78 10.933 3.396 -6.638 1.00 0.00 H new ATOM 0 HE21 GLN A 78 11.990 0.451 -4.867 1.00 0.00 H new ATOM 0 HE22 GLN A 78 13.124 1.349 -3.853 1.00 0.00 H new ATOM 852 N ARG A 79 7.667 4.646 -5.332 1.00 0.00 N ATOM 853 CA ARG A 79 7.218 5.926 -5.852 1.00 0.00 C ATOM 854 C ARG A 79 7.344 7.009 -4.779 1.00 0.00 C ATOM 855 O ARG A 79 7.639 8.163 -5.088 1.00 0.00 O ATOM 856 CB ARG A 79 5.764 5.850 -6.322 1.00 0.00 C ATOM 857 CG ARG A 79 5.665 6.057 -7.835 1.00 0.00 C ATOM 858 CD ARG A 79 4.220 5.902 -8.316 1.00 0.00 C ATOM 859 NE ARG A 79 3.926 6.905 -9.364 1.00 0.00 N ATOM 860 CZ ARG A 79 4.522 6.934 -10.564 1.00 0.00 C ATOM 861 NH1 ARG A 79 5.448 6.017 -10.875 1.00 0.00 N ATOM 862 NH2 ARG A 79 4.192 7.880 -11.453 1.00 0.00 N ATOM 0 H ARG A 79 6.948 3.923 -5.298 1.00 0.00 H new ATOM 0 HA ARG A 79 7.850 6.178 -6.703 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.342 4.881 -6.056 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.172 6.607 -5.808 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.034 7.049 -8.095 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.302 5.336 -8.347 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.064 4.897 -8.709 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.534 6.027 -7.478 1.00 0.00 H new ATOM 0 HE ARG A 79 3.226 7.619 -9.160 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.700 5.296 -10.198 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.901 6.039 -11.788 1.00 0.00 H new ATOM 0 HH21 ARG A 79 3.487 8.578 -11.217 1.00 0.00 H new ATOM 0 HH22 ARG A 79 4.646 7.902 -12.366 1.00 0.00 H new ATOM 876 N LEU A 80 7.115 6.599 -3.540 1.00 0.00 N ATOM 877 CA LEU A 80 7.199 7.520 -2.420 1.00 0.00 C ATOM 878 C LEU A 80 8.591 8.156 -2.391 1.00 0.00 C ATOM 879 O LEU A 80 8.720 9.366 -2.214 1.00 0.00 O ATOM 880 CB LEU A 80 6.819 6.814 -1.116 1.00 0.00 C ATOM 881 CG LEU A 80 5.326 6.777 -0.785 1.00 0.00 C ATOM 882 CD1 LEU A 80 5.079 6.081 0.555 1.00 0.00 C ATOM 883 CD2 LEU A 80 4.721 8.182 -0.821 1.00 0.00 C ATOM 0 H LEU A 80 6.871 5.641 -3.287 1.00 0.00 H new ATOM 0 HA LEU A 80 6.480 8.330 -2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.187 5.789 -1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.341 7.305 -0.295 1.00 0.00 H new ATOM 0 HG LEU A 80 4.821 6.189 -1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.010 6.068 0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.452 5.058 0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.599 6.621 1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.659 8.127 -0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.225 8.814 -0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.847 8.607 -1.817 1.00 0.00 H new ATOM 895 N VAL A 81 9.596 7.311 -2.568 1.00 0.00 N ATOM 896 CA VAL A 81 10.973 7.776 -2.566 1.00 0.00 C ATOM 897 C VAL A 81 11.225 8.618 -3.818 1.00 0.00 C ATOM 898 O VAL A 81 11.809 9.697 -3.737 1.00 0.00 O ATOM 899 CB VAL A 81 11.926 6.585 -2.443 1.00 0.00 C ATOM 900 CG1 VAL A 81 13.372 7.012 -2.703 1.00 0.00 C ATOM 901 CG2 VAL A 81 11.790 5.912 -1.076 1.00 0.00 C ATOM 0 H VAL A 81 9.485 6.308 -2.714 1.00 0.00 H new ATOM 0 HA VAL A 81 11.160 8.415 -1.703 1.00 0.00 H new ATOM 0 HB VAL A 81 11.650 5.855 -3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 81 14.029 6.147 -2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.455 7.423 -3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.664 7.770 -1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.478 5.069 -1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.027 6.631 -0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.768 5.556 -0.946 1.00 0.00 H new ATOM 911 N VAL A 82 10.773 8.092 -4.947 1.00 0.00 N ATOM 912 CA VAL A 82 10.942 8.782 -6.214 1.00 0.00 C ATOM 913 C VAL A 82 10.371 10.196 -6.100 1.00 0.00 C ATOM 914 O VAL A 82 10.921 11.139 -6.667 1.00 0.00 O ATOM 915 CB VAL A 82 10.304 7.968 -7.342 1.00 0.00 C ATOM 916 CG1 VAL A 82 10.209 8.793 -8.627 1.00 0.00 C ATOM 917 CG2 VAL A 82 11.071 6.667 -7.581 1.00 0.00 C ATOM 0 H VAL A 82 10.290 7.196 -5.010 1.00 0.00 H new ATOM 0 HA VAL A 82 12.000 8.878 -6.459 1.00 0.00 H new ATOM 0 HB VAL A 82 9.291 7.707 -7.036 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.752 8.191 -9.413 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.599 9.678 -8.447 1.00 0.00 H new ATOM 0 HG13 VAL A 82 11.208 9.098 -8.938 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.597 6.108 -8.387 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.101 6.897 -7.855 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.063 6.068 -6.671 1.00 0.00 H new ATOM 927 N ALA A 83 9.275 10.300 -5.364 1.00 0.00 N ATOM 928 CA ALA A 83 8.623 11.584 -5.168 1.00 0.00 C ATOM 929 C ALA A 83 9.521 12.482 -4.315 1.00 0.00 C ATOM 930 O ALA A 83 9.533 13.699 -4.489 1.00 0.00 O ATOM 931 CB ALA A 83 7.246 11.367 -4.537 1.00 0.00 C ATOM 0 H ALA A 83 8.821 9.516 -4.896 1.00 0.00 H new ATOM 0 HA ALA A 83 8.468 12.085 -6.123 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.757 12.330 -4.390 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.637 10.748 -5.196 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.361 10.868 -3.575 1.00 0.00 H new ATOM 937 N GLY A 84 10.250 11.846 -3.409 1.00 0.00 N ATOM 938 CA GLY A 84 11.149 12.572 -2.528 1.00 0.00 C ATOM 939 C GLY A 84 10.852 12.256 -1.061 1.00 0.00 C ATOM 940 O GLY A 84 10.896 13.142 -0.210 1.00 0.00 O ATOM 0 H GLY A 84 10.236 10.836 -3.266 1.00 0.00 H new ATOM 0 HA2 GLY A 84 12.181 12.309 -2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 84 11.047 13.643 -2.701 1.00 0.00 H new ATOM 944 N ALA A 85 10.557 10.988 -0.810 1.00 0.00 N ATOM 945 CA ALA A 85 10.254 10.543 0.539 1.00 0.00 C ATOM 946 C ALA A 85 11.515 9.952 1.172 1.00 0.00 C ATOM 947 O ALA A 85 12.455 9.587 0.467 1.00 0.00 O ATOM 948 CB ALA A 85 9.097 9.543 0.499 1.00 0.00 C ATOM 0 H ALA A 85 10.522 10.255 -1.519 1.00 0.00 H new ATOM 0 HA ALA A 85 9.937 11.382 1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.870 9.209 1.511 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.217 10.021 0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.379 8.685 -0.111 1.00 0.00 H new ATOM 954 N GLU A 86 11.495 9.875 2.495 1.00 0.00 N ATOM 955 CA GLU A 86 12.625 9.334 3.230 1.00 0.00 C ATOM 956 C GLU A 86 12.859 7.872 2.843 1.00 0.00 C ATOM 957 O GLU A 86 11.908 7.122 2.632 1.00 0.00 O ATOM 958 CB GLU A 86 12.415 9.475 4.739 1.00 0.00 C ATOM 959 CG GLU A 86 13.573 10.238 5.385 1.00 0.00 C ATOM 960 CD GLU A 86 13.717 11.634 4.775 1.00 0.00 C ATOM 961 OE1 GLU A 86 14.689 11.822 4.012 1.00 0.00 O ATOM 962 OE2 GLU A 86 12.853 12.481 5.085 1.00 0.00 O ATOM 0 H GLU A 86 10.714 10.178 3.076 1.00 0.00 H new ATOM 0 HA GLU A 86 13.514 9.906 2.965 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.478 9.997 4.932 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.328 8.487 5.192 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.404 10.322 6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 86 14.500 9.681 5.251 1.00 0.00 H new ATOM 969 N ASP A 87 14.132 7.511 2.762 1.00 0.00 N ATOM 970 CA ASP A 87 14.503 6.153 2.404 1.00 0.00 C ATOM 971 C ASP A 87 15.420 5.578 3.485 1.00 0.00 C ATOM 972 O ASP A 87 16.629 5.805 3.464 1.00 0.00 O ATOM 973 CB ASP A 87 15.261 6.121 1.075 1.00 0.00 C ATOM 974 CG ASP A 87 14.930 4.933 0.171 1.00 0.00 C ATOM 975 OD1 ASP A 87 15.066 5.101 -1.060 1.00 0.00 O ATOM 976 OD2 ASP A 87 14.548 3.882 0.730 1.00 0.00 O ATOM 0 H ASP A 87 14.919 8.136 2.938 1.00 0.00 H new ATOM 0 HA ASP A 87 13.589 5.567 2.312 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.050 7.042 0.531 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.331 6.112 1.284 1.00 0.00 H new ATOM 981 N GLN A 88 14.810 4.845 4.405 1.00 0.00 N ATOM 982 CA GLN A 88 15.557 4.236 5.493 1.00 0.00 C ATOM 983 C GLN A 88 15.401 2.714 5.457 1.00 0.00 C ATOM 984 O GLN A 88 16.107 1.997 6.164 1.00 0.00 O ATOM 985 CB GLN A 88 15.115 4.800 6.845 1.00 0.00 C ATOM 986 CG GLN A 88 15.155 6.330 6.839 1.00 0.00 C ATOM 987 CD GLN A 88 16.529 6.841 6.400 1.00 0.00 C ATOM 988 OE1 GLN A 88 16.481 7.781 5.460 1.00 0.00 O flip ATOM 989 NE2 GLN A 88 17.564 6.411 6.883 1.00 0.00 N flip ATOM 0 H GLN A 88 13.807 4.659 4.420 1.00 0.00 H new ATOM 0 HA GLN A 88 16.612 4.477 5.363 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.105 4.460 7.073 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.765 4.418 7.633 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.388 6.715 6.167 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.924 6.707 7.835 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.530 5.688 7.602 1.00 0.00 H new ATOM 0 HE22 GLN A 88 18.463 6.774 6.568 1.00 0.00 H new ATOM 998 N ARG A 89 14.471 2.266 4.626 1.00 0.00 N ATOM 999 CA ARG A 89 14.214 0.843 4.488 1.00 0.00 C ATOM 1000 C ARG A 89 15.527 0.081 4.302 1.00 0.00 C ATOM 1001 O ARG A 89 15.646 -1.070 4.720 1.00 0.00 O ATOM 1002 CB ARG A 89 13.296 0.562 3.296 1.00 0.00 C ATOM 1003 CG ARG A 89 14.095 0.495 1.993 1.00 0.00 C ATOM 1004 CD ARG A 89 13.164 0.389 0.784 1.00 0.00 C ATOM 1005 NE ARG A 89 13.166 -0.996 0.263 1.00 0.00 N ATOM 1006 CZ ARG A 89 14.101 -1.488 -0.561 1.00 0.00 C ATOM 1007 NH1 ARG A 89 15.115 -0.710 -0.964 1.00 0.00 N ATOM 1008 NH2 ARG A 89 14.022 -2.757 -0.983 1.00 0.00 N ATOM 0 H ARG A 89 13.886 2.864 4.042 1.00 0.00 H new ATOM 0 HA ARG A 89 13.721 0.506 5.400 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.769 -0.379 3.452 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.539 1.343 3.223 1.00 0.00 H new ATOM 0 HG2 ARG A 89 14.719 1.384 1.899 1.00 0.00 H new ATOM 0 HG3 ARG A 89 14.765 -0.364 2.017 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.152 0.678 1.068 1.00 0.00 H new ATOM 0 HD3 ARG A 89 13.486 1.080 0.005 1.00 0.00 H new ATOM 0 HE ARG A 89 12.408 -1.615 0.549 1.00 0.00 H new ATOM 0 HH11 ARG A 89 15.175 0.256 -0.643 1.00 0.00 H new ATOM 0 HH12 ARG A 89 15.827 -1.084 -1.591 1.00 0.00 H new ATOM 0 HH21 ARG A 89 13.250 -3.349 -0.677 1.00 0.00 H new ATOM 0 HH22 ARG A 89 14.734 -3.131 -1.610 1.00 0.00 H new ATOM 1022 N ARG A 90 16.481 0.754 3.676 1.00 0.00 N ATOM 1023 CA ARG A 90 17.782 0.155 3.430 1.00 0.00 C ATOM 1024 C ARG A 90 18.625 1.065 2.535 1.00 0.00 C ATOM 1025 O ARG A 90 19.766 1.383 2.865 1.00 0.00 O ATOM 1026 CB ARG A 90 17.640 -1.215 2.763 1.00 0.00 C ATOM 1027 CG ARG A 90 17.842 -2.342 3.778 1.00 0.00 C ATOM 1028 CD ARG A 90 19.153 -3.087 3.516 1.00 0.00 C ATOM 1029 NE ARG A 90 18.877 -4.515 3.244 1.00 0.00 N ATOM 1030 CZ ARG A 90 18.437 -4.985 2.068 1.00 0.00 C ATOM 1031 NH1 ARG A 90 18.219 -4.142 1.050 1.00 0.00 N ATOM 1032 NH2 ARG A 90 18.214 -6.297 1.912 1.00 0.00 N ATOM 0 H ARG A 90 16.379 1.709 3.332 1.00 0.00 H new ATOM 0 HA ARG A 90 18.276 0.028 4.393 1.00 0.00 H new ATOM 0 HB2 ARG A 90 16.653 -1.302 2.309 1.00 0.00 H new ATOM 0 HB3 ARG A 90 18.370 -1.310 1.959 1.00 0.00 H new ATOM 0 HG2 ARG A 90 17.849 -1.930 4.787 1.00 0.00 H new ATOM 0 HG3 ARG A 90 17.006 -3.039 3.724 1.00 0.00 H new ATOM 0 HD2 ARG A 90 19.672 -2.640 2.668 1.00 0.00 H new ATOM 0 HD3 ARG A 90 19.813 -2.993 4.378 1.00 0.00 H new ATOM 0 HE ARG A 90 19.031 -5.184 3.999 1.00 0.00 H new ATOM 0 HH11 ARG A 90 18.388 -3.143 1.170 1.00 0.00 H new ATOM 0 HH12 ARG A 90 17.884 -4.499 0.155 1.00 0.00 H new ATOM 0 HH21 ARG A 90 18.379 -6.938 2.688 1.00 0.00 H new ATOM 0 HH22 ARG A 90 17.879 -6.655 1.017 1.00 0.00 H new ATOM 1046 N HIS A 91 18.030 1.460 1.418 1.00 0.00 N ATOM 1047 CA HIS A 91 18.712 2.328 0.473 1.00 0.00 C ATOM 1048 C HIS A 91 17.710 2.850 -0.559 1.00 0.00 C ATOM 1049 O HIS A 91 17.389 4.038 -0.571 1.00 0.00 O ATOM 1050 CB HIS A 91 19.900 1.607 -0.166 1.00 0.00 C ATOM 1051 CG HIS A 91 21.238 2.238 0.140 1.00 0.00 C ATOM 1052 ND1 HIS A 91 21.529 3.558 -0.156 1.00 0.00 N ATOM 1053 CD2 HIS A 91 22.358 1.716 0.718 1.00 0.00 C ATOM 1054 CE1 HIS A 91 22.772 3.809 0.230 1.00 0.00 C ATOM 1055 NE2 HIS A 91 23.283 2.666 0.771 1.00 0.00 N ATOM 0 H HIS A 91 17.083 1.195 1.147 1.00 0.00 H new ATOM 0 HA HIS A 91 19.124 3.191 0.997 1.00 0.00 H new ATOM 0 HB2 HIS A 91 19.911 0.572 0.176 1.00 0.00 H new ATOM 0 HB3 HIS A 91 19.759 1.584 -1.247 1.00 0.00 H new ATOM 0 HD2 HIS A 91 22.472 0.702 1.072 1.00 0.00 H new ATOM 0 HE1 HIS A 91 23.289 4.752 0.133 1.00 0.00 H new ATOM 0 HE2 HIS A 91 24.222 2.559 1.154 1.00 0.00 H new ATOM 1063 N LEU A 92 17.245 1.938 -1.399 1.00 0.00 N ATOM 1064 CA LEU A 92 16.286 2.292 -2.432 1.00 0.00 C ATOM 1065 C LEU A 92 15.733 1.014 -3.067 1.00 0.00 C ATOM 1066 O LEU A 92 14.532 0.757 -3.007 1.00 0.00 O ATOM 1067 CB LEU A 92 16.916 3.256 -3.439 1.00 0.00 C ATOM 1068 CG LEU A 92 16.135 4.543 -3.713 1.00 0.00 C ATOM 1069 CD1 LEU A 92 16.840 5.754 -3.100 1.00 0.00 C ATOM 1070 CD2 LEU A 92 15.884 4.724 -5.212 1.00 0.00 C ATOM 0 H LEU A 92 17.514 0.954 -1.386 1.00 0.00 H new ATOM 0 HA LEU A 92 15.440 2.826 -2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 92 17.909 3.526 -3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 92 17.050 2.728 -4.383 1.00 0.00 H new ATOM 0 HG LEU A 92 15.161 4.460 -3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 92 16.264 6.655 -3.310 1.00 0.00 H new ATOM 0 HD12 LEU A 92 16.923 5.619 -2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 92 17.836 5.852 -3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 92 15.327 5.646 -5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 92 16.838 4.776 -5.737 1.00 0.00 H new ATOM 0 HD23 LEU A 92 15.308 3.879 -5.589 1.00 0.00 H new ATOM 1082 N MET A 93 16.636 0.248 -3.661 1.00 0.00 N ATOM 1083 CA MET A 93 16.253 -0.996 -4.307 1.00 0.00 C ATOM 1084 C MET A 93 17.475 -1.713 -4.884 1.00 0.00 C ATOM 1085 O MET A 93 18.546 -1.121 -5.007 1.00 0.00 O ATOM 1086 CB MET A 93 15.256 -0.703 -5.430 1.00 0.00 C ATOM 1087 CG MET A 93 15.917 0.098 -6.554 1.00 0.00 C ATOM 1088 SD MET A 93 16.012 -0.894 -8.035 1.00 0.00 S ATOM 1089 CE MET A 93 16.148 0.394 -9.263 1.00 0.00 C ATOM 0 H MET A 93 17.632 0.465 -3.709 1.00 0.00 H new ATOM 0 HA MET A 93 15.793 -1.644 -3.561 1.00 0.00 H new ATOM 0 HB2 MET A 93 14.865 -1.639 -5.827 1.00 0.00 H new ATOM 0 HB3 MET A 93 14.408 -0.146 -5.032 1.00 0.00 H new ATOM 0 HG2 MET A 93 15.346 1.005 -6.750 1.00 0.00 H new ATOM 0 HG3 MET A 93 16.916 0.410 -6.250 1.00 0.00 H new ATOM 0 HE1 MET A 93 16.217 -0.054 -10.254 1.00 0.00 H new ATOM 0 HE2 MET A 93 15.268 1.036 -9.216 1.00 0.00 H new ATOM 0 HE3 MET A 93 17.041 0.988 -9.070 1.00 0.00 H new ATOM 1099 N ALA A 94 17.274 -2.979 -5.221 1.00 0.00 N ATOM 1100 CA ALA A 94 18.347 -3.783 -5.782 1.00 0.00 C ATOM 1101 C ALA A 94 17.971 -4.207 -7.203 1.00 0.00 C ATOM 1102 O ALA A 94 16.806 -4.129 -7.590 1.00 0.00 O ATOM 1103 CB ALA A 94 18.618 -4.980 -4.869 1.00 0.00 C ATOM 0 H ALA A 94 16.385 -3.467 -5.116 1.00 0.00 H new ATOM 0 HA ALA A 94 19.269 -3.204 -5.844 1.00 0.00 H new ATOM 0 HB1 ALA A 94 19.423 -5.583 -5.289 1.00 0.00 H new ATOM 0 HB2 ALA A 94 18.909 -4.625 -3.880 1.00 0.00 H new ATOM 0 HB3 ALA A 94 17.716 -5.586 -4.786 1.00 0.00 H new ATOM 1109 N ASP A 95 18.980 -4.646 -7.942 1.00 0.00 N ATOM 1110 CA ASP A 95 18.770 -5.082 -9.312 1.00 0.00 C ATOM 1111 C ASP A 95 19.345 -6.489 -9.488 1.00 0.00 C ATOM 1112 O ASP A 95 20.182 -6.925 -8.699 1.00 0.00 O ATOM 1113 CB ASP A 95 19.479 -4.154 -10.300 1.00 0.00 C ATOM 1114 CG ASP A 95 20.902 -3.755 -9.905 1.00 0.00 C ATOM 1115 OD1 ASP A 95 21.838 -4.307 -10.522 1.00 0.00 O ATOM 1116 OD2 ASP A 95 21.021 -2.905 -8.996 1.00 0.00 O ATOM 0 H ASP A 95 19.945 -4.709 -7.618 1.00 0.00 H new ATOM 0 HA ASP A 95 17.698 -5.068 -9.510 1.00 0.00 H new ATOM 0 HB2 ASP A 95 19.512 -4.642 -11.274 1.00 0.00 H new ATOM 0 HB3 ASP A 95 18.883 -3.249 -10.417 1.00 0.00 H new ATOM 1121 N ASP A 96 18.874 -7.160 -10.529 1.00 0.00 N ATOM 1122 CA ASP A 96 19.332 -8.508 -10.819 1.00 0.00 C ATOM 1123 C ASP A 96 19.764 -8.591 -12.284 1.00 0.00 C ATOM 1124 O ASP A 96 18.985 -8.278 -13.183 1.00 0.00 O ATOM 1125 CB ASP A 96 18.214 -9.529 -10.597 1.00 0.00 C ATOM 1126 CG ASP A 96 16.838 -9.103 -11.113 1.00 0.00 C ATOM 1127 OD1 ASP A 96 16.661 -9.137 -12.350 1.00 0.00 O ATOM 1128 OD2 ASP A 96 15.994 -8.755 -10.260 1.00 0.00 O ATOM 0 H ASP A 96 18.180 -6.795 -11.182 1.00 0.00 H new ATOM 0 HA ASP A 96 20.164 -8.733 -10.151 1.00 0.00 H new ATOM 0 HB2 ASP A 96 18.494 -10.464 -11.083 1.00 0.00 H new ATOM 0 HB3 ASP A 96 18.137 -9.735 -9.529 1.00 0.00 H new TER 1133 ASP A 96