USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 498 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 1 MET N :NH3+ -176:sc= -0.0013 (180deg=-0.0468) USER MOD Set 1.2: A 22 THR OG1 : rot -104:sc= -0.714 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 4 THR OG1 : rot -55:sc= 0.254 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.277 K(o=-0.28,f=-0.83) USER MOD Single : A 38 THR OG1 : rot -90:sc= -0.383 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.504 7.268 -4.003 1.00 0.00 N ATOM 2 CA MET A 1 3.639 6.366 -4.818 1.00 0.00 C ATOM 3 C MET A 1 3.777 4.895 -4.399 1.00 0.00 C ATOM 4 O MET A 1 2.800 4.145 -4.436 1.00 0.00 O ATOM 5 CB MET A 1 3.985 6.544 -6.308 1.00 0.00 C ATOM 6 CG MET A 1 5.398 6.121 -6.690 1.00 0.00 C ATOM 7 SD MET A 1 6.471 7.523 -7.058 1.00 0.00 S ATOM 8 CE MET A 1 6.548 7.432 -8.846 1.00 0.00 C ATOM 0 H1 MET A 1 4.328 8.256 -4.275 1.00 0.00 H new ATOM 0 H2 MET A 1 4.284 7.142 -2.994 1.00 0.00 H new ATOM 0 H3 MET A 1 5.504 7.036 -4.171 1.00 0.00 H new ATOM 0 HA MET A 1 2.599 6.642 -4.645 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.275 5.969 -6.903 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.850 7.592 -6.575 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.832 5.541 -5.875 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.354 5.465 -7.559 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.178 8.237 -9.225 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.969 6.472 -9.144 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.544 7.532 -9.259 1.00 0.00 H new ATOM 20 N ASN A 2 4.984 4.489 -3.996 1.00 0.00 N ATOM 21 CA ASN A 2 5.232 3.113 -3.568 1.00 0.00 C ATOM 22 C ASN A 2 5.650 3.073 -2.102 1.00 0.00 C ATOM 23 O ASN A 2 6.472 3.880 -1.663 1.00 0.00 O ATOM 24 CB ASN A 2 6.318 2.457 -4.430 1.00 0.00 C ATOM 25 CG ASN A 2 6.103 2.668 -5.919 1.00 0.00 C ATOM 26 OD1 ASN A 2 5.000 2.482 -6.432 1.00 0.00 O ATOM 27 ND2 ASN A 2 7.162 3.059 -6.621 1.00 0.00 N ATOM 0 H ASN A 2 5.804 5.095 -3.958 1.00 0.00 H new ATOM 0 HA ASN A 2 4.303 2.556 -3.690 1.00 0.00 H new ATOM 0 HB2 ASN A 2 7.291 2.861 -4.148 1.00 0.00 H new ATOM 0 HB3 ASN A 2 6.344 1.388 -4.220 1.00 0.00 H new ATOM 0 HD21 ASN A 2 7.078 3.217 -7.625 1.00 0.00 H new ATOM 0 HD22 ASN A 2 8.058 3.201 -6.155 1.00 0.00 H new ATOM 34 N VAL A 3 5.077 2.135 -1.351 1.00 0.00 N ATOM 35 CA VAL A 3 5.384 1.992 0.069 1.00 0.00 C ATOM 36 C VAL A 3 5.792 0.560 0.408 1.00 0.00 C ATOM 37 O VAL A 3 5.212 -0.399 -0.109 1.00 0.00 O ATOM 38 CB VAL A 3 4.189 2.414 0.954 1.00 0.00 C ATOM 39 CG1 VAL A 3 3.801 3.857 0.671 1.00 0.00 C ATOM 40 CG2 VAL A 3 2.996 1.491 0.747 1.00 0.00 C ATOM 0 H VAL A 3 4.397 1.462 -1.704 1.00 0.00 H new ATOM 0 HA VAL A 3 6.223 2.656 0.278 1.00 0.00 H new ATOM 0 HB VAL A 3 4.498 2.333 1.996 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.958 4.138 1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.647 4.510 0.884 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.519 3.959 -0.377 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.172 1.814 1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.685 1.527 -0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.276 0.470 1.006 1.00 0.00 H new ATOM 50 N THR A 4 6.793 0.416 1.276 1.00 0.00 N ATOM 51 CA THR A 4 7.266 -0.907 1.673 1.00 0.00 C ATOM 52 C THR A 4 6.275 -1.545 2.642 1.00 0.00 C ATOM 53 O THR A 4 6.092 -1.070 3.766 1.00 0.00 O ATOM 54 CB THR A 4 8.653 -0.816 2.318 1.00 0.00 C ATOM 55 OG1 THR A 4 9.438 0.181 1.688 1.00 0.00 O ATOM 56 CG2 THR A 4 9.430 -2.114 2.255 1.00 0.00 C ATOM 0 H THR A 4 7.288 1.193 1.714 1.00 0.00 H new ATOM 0 HA THR A 4 7.344 -1.529 0.782 1.00 0.00 H new ATOM 0 HB THR A 4 8.466 -0.571 3.363 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.484 0.001 0.726 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.402 -1.980 2.729 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.877 -2.895 2.777 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.571 -2.403 1.214 1.00 0.00 H new ATOM 64 N VAL A 5 5.629 -2.617 2.190 1.00 0.00 N ATOM 65 CA VAL A 5 4.643 -3.319 3.001 1.00 0.00 C ATOM 66 C VAL A 5 5.064 -4.769 3.249 1.00 0.00 C ATOM 67 O VAL A 5 5.528 -5.459 2.340 1.00 0.00 O ATOM 68 CB VAL A 5 3.252 -3.274 2.323 1.00 0.00 C ATOM 69 CG1 VAL A 5 2.394 -4.469 2.716 1.00 0.00 C ATOM 70 CG2 VAL A 5 2.540 -1.967 2.649 1.00 0.00 C ATOM 0 H VAL A 5 5.773 -3.018 1.263 1.00 0.00 H new ATOM 0 HA VAL A 5 4.581 -2.813 3.965 1.00 0.00 H new ATOM 0 HB VAL A 5 3.409 -3.326 1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.426 -4.401 2.220 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.893 -5.390 2.414 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.248 -4.473 3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.564 -1.953 2.164 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.410 -1.883 3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.136 -1.128 2.289 1.00 0.00 H new ATOM 80 N GLU A 6 4.887 -5.225 4.487 1.00 0.00 N ATOM 81 CA GLU A 6 5.235 -6.591 4.860 1.00 0.00 C ATOM 82 C GLU A 6 4.007 -7.497 4.767 1.00 0.00 C ATOM 83 O GLU A 6 3.040 -7.325 5.515 1.00 0.00 O ATOM 84 CB GLU A 6 5.812 -6.622 6.279 1.00 0.00 C ATOM 85 CG GLU A 6 6.989 -7.569 6.442 1.00 0.00 C ATOM 86 CD GLU A 6 6.552 -8.996 6.708 1.00 0.00 C ATOM 87 OE1 GLU A 6 6.360 -9.746 5.733 1.00 0.00 O ATOM 88 OE2 GLU A 6 6.398 -9.359 7.893 1.00 0.00 O ATOM 0 H GLU A 6 4.504 -4.666 5.249 1.00 0.00 H new ATOM 0 HA GLU A 6 5.991 -6.959 4.167 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.126 -5.616 6.555 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.025 -6.912 6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 6 7.601 -7.542 5.540 1.00 0.00 H new ATOM 0 HG3 GLU A 6 7.617 -7.225 7.264 1.00 0.00 H new ATOM 95 N VAL A 7 4.048 -8.459 3.844 1.00 0.00 N ATOM 96 CA VAL A 7 2.935 -9.389 3.655 1.00 0.00 C ATOM 97 C VAL A 7 2.979 -10.511 4.691 1.00 0.00 C ATOM 98 O VAL A 7 3.991 -11.189 4.838 1.00 0.00 O ATOM 99 CB VAL A 7 2.916 -9.996 2.229 1.00 0.00 C ATOM 100 CG1 VAL A 7 2.435 -8.969 1.215 1.00 0.00 C ATOM 101 CG2 VAL A 7 4.287 -10.528 1.834 1.00 0.00 C ATOM 0 H VAL A 7 4.838 -8.614 3.217 1.00 0.00 H new ATOM 0 HA VAL A 7 2.020 -8.812 3.788 1.00 0.00 H new ATOM 0 HB VAL A 7 2.219 -10.834 2.236 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.429 -9.415 0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.427 -8.646 1.474 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.104 -8.109 1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.239 -10.947 0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.012 -9.715 1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.592 -11.304 2.536 1.00 0.00 H new ATOM 111 N VAL A 8 1.878 -10.694 5.416 1.00 0.00 N ATOM 112 CA VAL A 8 1.800 -11.730 6.451 1.00 0.00 C ATOM 113 C VAL A 8 2.093 -13.116 5.871 1.00 0.00 C ATOM 114 O VAL A 8 1.403 -13.576 4.958 1.00 0.00 O ATOM 115 CB VAL A 8 0.413 -11.746 7.136 1.00 0.00 C ATOM 116 CG1 VAL A 8 0.413 -12.686 8.335 1.00 0.00 C ATOM 117 CG2 VAL A 8 0.000 -10.339 7.552 1.00 0.00 C ATOM 0 H VAL A 8 1.028 -10.141 5.309 1.00 0.00 H new ATOM 0 HA VAL A 8 2.557 -11.487 7.196 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.317 -12.115 6.416 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.572 -12.681 8.801 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.653 -13.697 8.005 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.158 -12.354 9.058 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.978 -10.374 8.032 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.733 -9.936 8.251 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.050 -9.699 6.671 1.00 0.00 H new ATOM 127 N GLY A 9 3.128 -13.770 6.407 1.00 0.00 N ATOM 128 CA GLY A 9 3.510 -15.095 5.935 1.00 0.00 C ATOM 129 C GLY A 9 4.627 -15.048 4.904 1.00 0.00 C ATOM 130 O GLY A 9 5.585 -15.818 4.980 1.00 0.00 O ATOM 0 H GLY A 9 3.709 -13.404 7.161 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.828 -15.701 6.783 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.640 -15.587 5.501 1.00 0.00 H new ATOM 134 N GLU A 10 4.495 -14.140 3.943 1.00 0.00 N ATOM 135 CA GLU A 10 5.481 -13.969 2.878 1.00 0.00 C ATOM 136 C GLU A 10 6.511 -12.897 3.249 1.00 0.00 C ATOM 137 O GLU A 10 6.307 -12.134 4.192 1.00 0.00 O ATOM 138 CB GLU A 10 4.780 -13.607 1.565 1.00 0.00 C ATOM 139 CG GLU A 10 4.608 -14.783 0.611 1.00 0.00 C ATOM 140 CD GLU A 10 3.760 -15.901 1.190 1.00 0.00 C ATOM 141 OE1 GLU A 10 4.321 -16.772 1.889 1.00 0.00 O ATOM 142 OE2 GLU A 10 2.537 -15.909 0.941 1.00 0.00 O ATOM 0 H GLU A 10 3.702 -13.501 3.879 1.00 0.00 H new ATOM 0 HA GLU A 10 6.011 -14.912 2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.799 -13.189 1.792 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.351 -12.826 1.063 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.151 -14.429 -0.313 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.590 -15.178 0.350 1.00 0.00 H new ATOM 149 N GLU A 11 7.626 -12.860 2.512 1.00 0.00 N ATOM 150 CA GLU A 11 8.699 -11.886 2.762 1.00 0.00 C ATOM 151 C GLU A 11 8.191 -10.439 2.608 1.00 0.00 C ATOM 152 O GLU A 11 6.990 -10.183 2.682 1.00 0.00 O ATOM 153 CB GLU A 11 9.871 -12.146 1.806 1.00 0.00 C ATOM 154 CG GLU A 11 11.241 -11.981 2.449 1.00 0.00 C ATOM 155 CD GLU A 11 12.253 -11.357 1.506 1.00 0.00 C ATOM 156 OE1 GLU A 11 12.806 -12.089 0.658 1.00 0.00 O ATOM 157 OE2 GLU A 11 12.489 -10.135 1.615 1.00 0.00 O ATOM 0 H GLU A 11 7.811 -13.494 1.735 1.00 0.00 H new ATOM 0 HA GLU A 11 9.039 -12.009 3.790 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.786 -13.158 1.410 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.794 -11.465 0.959 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.148 -11.360 3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.605 -12.955 2.775 1.00 0.00 H new ATOM 164 N THR A 12 9.106 -9.490 2.396 1.00 0.00 N ATOM 165 CA THR A 12 8.723 -8.086 2.247 1.00 0.00 C ATOM 166 C THR A 12 8.668 -7.686 0.773 1.00 0.00 C ATOM 167 O THR A 12 9.569 -8.009 -0.004 1.00 0.00 O ATOM 168 CB THR A 12 9.702 -7.173 2.999 1.00 0.00 C ATOM 169 OG1 THR A 12 10.248 -7.831 4.130 1.00 0.00 O ATOM 170 CG2 THR A 12 9.066 -5.886 3.482 1.00 0.00 C ATOM 0 H THR A 12 10.108 -9.667 2.324 1.00 0.00 H new ATOM 0 HA THR A 12 7.728 -7.967 2.677 1.00 0.00 H new ATOM 0 HB THR A 12 10.479 -6.931 2.274 1.00 0.00 H new ATOM 0 HG1 THR A 12 10.869 -7.229 4.590 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.811 -5.286 4.005 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.684 -5.326 2.628 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.245 -6.118 4.161 1.00 0.00 H new ATOM 178 N SER A 13 7.593 -6.988 0.397 1.00 0.00 N ATOM 179 CA SER A 13 7.398 -6.544 -0.983 1.00 0.00 C ATOM 180 C SER A 13 6.928 -5.090 -1.036 1.00 0.00 C ATOM 181 O SER A 13 6.459 -4.539 -0.038 1.00 0.00 O ATOM 182 CB SER A 13 6.384 -7.447 -1.694 1.00 0.00 C ATOM 183 OG SER A 13 5.114 -7.390 -1.066 1.00 0.00 O ATOM 0 H SER A 13 6.843 -6.718 1.033 1.00 0.00 H new ATOM 0 HA SER A 13 8.358 -6.611 -1.494 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.291 -7.142 -2.736 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.746 -8.475 -1.694 1.00 0.00 H new ATOM 0 HG SER A 13 4.487 -7.974 -1.542 1.00 0.00 H new ATOM 189 N GLU A 14 7.055 -4.475 -2.210 1.00 0.00 N ATOM 190 CA GLU A 14 6.642 -3.089 -2.400 1.00 0.00 C ATOM 191 C GLU A 14 5.243 -3.024 -3.007 1.00 0.00 C ATOM 192 O GLU A 14 4.994 -3.576 -4.081 1.00 0.00 O ATOM 193 CB GLU A 14 7.646 -2.352 -3.288 1.00 0.00 C ATOM 194 CG GLU A 14 9.084 -2.485 -2.809 1.00 0.00 C ATOM 195 CD GLU A 14 9.693 -1.154 -2.412 1.00 0.00 C ATOM 196 OE1 GLU A 14 9.424 -0.692 -1.284 1.00 0.00 O ATOM 197 OE2 GLU A 14 10.438 -0.574 -3.230 1.00 0.00 O ATOM 0 H GLU A 14 7.441 -4.917 -3.044 1.00 0.00 H new ATOM 0 HA GLU A 14 6.616 -2.600 -1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.572 -2.737 -4.305 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.379 -1.296 -3.327 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.118 -3.164 -1.957 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.686 -2.934 -3.599 1.00 0.00 H new ATOM 204 N VAL A 15 4.332 -2.359 -2.300 1.00 0.00 N ATOM 205 CA VAL A 15 2.949 -2.226 -2.747 1.00 0.00 C ATOM 206 C VAL A 15 2.475 -0.775 -2.631 1.00 0.00 C ATOM 207 O VAL A 15 2.948 -0.028 -1.774 1.00 0.00 O ATOM 208 CB VAL A 15 2.019 -3.153 -1.926 1.00 0.00 C ATOM 209 CG1 VAL A 15 0.553 -2.919 -2.268 1.00 0.00 C ATOM 210 CG2 VAL A 15 2.391 -4.614 -2.146 1.00 0.00 C ATOM 0 H VAL A 15 4.529 -1.902 -1.410 1.00 0.00 H new ATOM 0 HA VAL A 15 2.906 -2.523 -3.795 1.00 0.00 H new ATOM 0 HB VAL A 15 2.157 -2.911 -0.872 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.070 -3.587 -1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.289 -1.884 -2.049 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.390 -3.118 -3.327 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.727 -5.251 -1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.291 -4.860 -3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.421 -4.778 -1.831 1.00 0.00 H new ATOM 220 N ALA A 16 1.538 -0.382 -3.495 1.00 0.00 N ATOM 221 CA ALA A 16 1.003 0.974 -3.481 1.00 0.00 C ATOM 222 C ALA A 16 -0.125 1.097 -2.462 1.00 0.00 C ATOM 223 O ALA A 16 -0.907 0.160 -2.270 1.00 0.00 O ATOM 224 CB ALA A 16 0.514 1.370 -4.868 1.00 0.00 C ATOM 0 H ALA A 16 1.136 -0.986 -4.212 1.00 0.00 H new ATOM 0 HA ALA A 16 1.803 1.654 -3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.118 2.385 -4.838 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.344 1.325 -5.573 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.271 0.684 -5.187 1.00 0.00 H new ATOM 230 N VAL A 17 -0.202 2.252 -1.806 1.00 0.00 N ATOM 231 CA VAL A 17 -1.237 2.491 -0.794 1.00 0.00 C ATOM 232 C VAL A 17 -2.192 3.614 -1.197 1.00 0.00 C ATOM 233 O VAL A 17 -1.842 4.495 -1.985 1.00 0.00 O ATOM 234 CB VAL A 17 -0.632 2.829 0.591 1.00 0.00 C ATOM 235 CG1 VAL A 17 -0.246 1.559 1.332 1.00 0.00 C ATOM 236 CG2 VAL A 17 0.563 3.768 0.460 1.00 0.00 C ATOM 0 H VAL A 17 0.434 3.035 -1.953 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.794 1.557 -0.724 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.395 3.346 1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.177 1.818 2.303 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.131 0.939 1.476 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.493 1.008 0.750 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.965 3.986 1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.333 3.294 -0.148 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.246 4.696 -0.015 1.00 0.00 H new ATOM 246 N ASP A 18 -3.403 3.565 -0.637 1.00 0.00 N ATOM 247 CA ASP A 18 -4.436 4.564 -0.906 1.00 0.00 C ATOM 248 C ASP A 18 -4.123 5.869 -0.180 1.00 0.00 C ATOM 249 O ASP A 18 -4.236 6.954 -0.751 1.00 0.00 O ATOM 250 CB ASP A 18 -5.803 4.038 -0.454 1.00 0.00 C ATOM 251 CG ASP A 18 -6.951 4.598 -1.273 1.00 0.00 C ATOM 252 OD1 ASP A 18 -7.281 5.792 -1.099 1.00 0.00 O ATOM 253 OD2 ASP A 18 -7.523 3.841 -2.085 1.00 0.00 O ATOM 0 H ASP A 18 -3.693 2.834 0.013 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.458 4.756 -1.979 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.810 2.950 -0.525 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.955 4.290 0.595 1.00 0.00 H new ATOM 258 N ASP A 19 -3.724 5.745 1.087 1.00 0.00 N ATOM 259 CA ASP A 19 -3.384 6.902 1.917 1.00 0.00 C ATOM 260 C ASP A 19 -2.252 7.738 1.304 1.00 0.00 C ATOM 261 O ASP A 19 -2.112 8.918 1.628 1.00 0.00 O ATOM 262 CB ASP A 19 -2.985 6.443 3.322 1.00 0.00 C ATOM 263 CG ASP A 19 -3.609 7.299 4.407 1.00 0.00 C ATOM 264 OD1 ASP A 19 -4.823 7.147 4.661 1.00 0.00 O ATOM 265 OD2 ASP A 19 -2.884 8.123 5.001 1.00 0.00 O ATOM 0 H ASP A 19 -3.628 4.848 1.563 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.271 7.534 1.973 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.288 5.405 3.462 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.900 6.474 3.417 1.00 0.00 H new ATOM 270 N ASP A 20 -1.448 7.121 0.426 1.00 0.00 N ATOM 271 CA ASP A 20 -0.326 7.804 -0.229 1.00 0.00 C ATOM 272 C ASP A 20 -0.720 9.198 -0.728 1.00 0.00 C ATOM 273 O ASP A 20 -0.030 10.179 -0.443 1.00 0.00 O ATOM 274 CB ASP A 20 0.195 6.968 -1.406 1.00 0.00 C ATOM 275 CG ASP A 20 1.712 6.956 -1.496 1.00 0.00 C ATOM 276 OD1 ASP A 20 2.311 8.042 -1.644 1.00 0.00 O ATOM 277 OD2 ASP A 20 2.300 5.857 -1.431 1.00 0.00 O ATOM 0 H ASP A 20 -1.556 6.144 0.153 1.00 0.00 H new ATOM 0 HA ASP A 20 0.461 7.920 0.516 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.166 5.944 -1.306 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.216 7.362 -2.335 1.00 0.00 H new ATOM 282 N GLY A 21 -1.824 9.281 -1.478 1.00 0.00 N ATOM 283 CA GLY A 21 -2.267 10.566 -2.001 1.00 0.00 C ATOM 284 C GLY A 21 -1.701 10.887 -3.377 1.00 0.00 C ATOM 285 O GLY A 21 -2.149 11.829 -4.034 1.00 0.00 O ATOM 0 H GLY A 21 -2.413 8.487 -1.730 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.356 10.572 -2.054 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.977 11.353 -1.305 1.00 0.00 H new ATOM 289 N THR A 22 -0.704 10.117 -3.798 1.00 0.00 N ATOM 290 CA THR A 22 -0.050 10.321 -5.091 1.00 0.00 C ATOM 291 C THR A 22 -0.787 9.596 -6.221 1.00 0.00 C ATOM 292 O THR A 22 -1.806 8.940 -5.997 1.00 0.00 O ATOM 293 CB THR A 22 1.408 9.845 -5.026 1.00 0.00 C ATOM 294 OG1 THR A 22 1.492 8.544 -4.468 1.00 0.00 O ATOM 295 CG2 THR A 22 2.299 10.752 -4.204 1.00 0.00 C ATOM 0 H THR A 22 -0.326 9.338 -3.259 1.00 0.00 H new ATOM 0 HA THR A 22 -0.075 11.389 -5.309 1.00 0.00 H new ATOM 0 HB THR A 22 1.757 9.855 -6.059 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.810 8.605 -3.543 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.315 10.357 -4.200 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.300 11.752 -4.638 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.924 10.801 -3.182 1.00 0.00 H new ATOM 303 N TYR A 23 -0.258 9.731 -7.441 1.00 0.00 N ATOM 304 CA TYR A 23 -0.849 9.105 -8.628 1.00 0.00 C ATOM 305 C TYR A 23 -0.987 7.592 -8.454 1.00 0.00 C ATOM 306 O TYR A 23 -1.918 6.988 -8.990 1.00 0.00 O ATOM 307 CB TYR A 23 -0.004 9.409 -9.869 1.00 0.00 C ATOM 308 CG TYR A 23 0.054 10.881 -10.219 1.00 0.00 C ATOM 309 CD1 TYR A 23 -0.914 11.463 -11.030 1.00 0.00 C ATOM 310 CD2 TYR A 23 1.074 11.692 -9.733 1.00 0.00 C ATOM 311 CE1 TYR A 23 -0.865 12.807 -11.349 1.00 0.00 C ATOM 312 CE2 TYR A 23 1.130 13.036 -10.047 1.00 0.00 C ATOM 313 CZ TYR A 23 0.158 13.589 -10.854 1.00 0.00 C ATOM 314 OH TYR A 23 0.207 14.930 -11.168 1.00 0.00 O ATOM 0 H TYR A 23 0.585 10.272 -7.633 1.00 0.00 H new ATOM 0 HA TYR A 23 -1.846 9.525 -8.759 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.010 9.043 -9.706 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.409 8.858 -10.718 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.718 10.855 -11.417 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.836 11.263 -9.099 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -1.624 13.243 -11.982 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.931 13.650 -9.663 1.00 0.00 H new ATOM 0 HH TYR A 23 0.988 15.338 -10.739 1.00 0.00 H new ATOM 324 N ALA A 24 -0.066 6.982 -7.700 1.00 0.00 N ATOM 325 CA ALA A 24 -0.110 5.540 -7.460 1.00 0.00 C ATOM 326 C ALA A 24 -1.460 5.128 -6.869 1.00 0.00 C ATOM 327 O ALA A 24 -1.979 4.063 -7.186 1.00 0.00 O ATOM 328 CB ALA A 24 1.020 5.113 -6.535 1.00 0.00 C ATOM 0 H ALA A 24 0.713 7.462 -7.249 1.00 0.00 H new ATOM 0 HA ALA A 24 0.016 5.036 -8.418 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.968 4.037 -6.370 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.978 5.365 -6.990 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.925 5.631 -5.581 1.00 0.00 H new ATOM 334 N ASP A 25 -2.027 5.993 -6.026 1.00 0.00 N ATOM 335 CA ASP A 25 -3.327 5.739 -5.402 1.00 0.00 C ATOM 336 C ASP A 25 -4.423 5.588 -6.464 1.00 0.00 C ATOM 337 O ASP A 25 -5.266 4.694 -6.377 1.00 0.00 O ATOM 338 CB ASP A 25 -3.677 6.887 -4.444 1.00 0.00 C ATOM 339 CG ASP A 25 -5.059 6.759 -3.823 1.00 0.00 C ATOM 340 OD1 ASP A 25 -5.573 5.627 -3.725 1.00 0.00 O ATOM 341 OD2 ASP A 25 -5.628 7.798 -3.432 1.00 0.00 O ATOM 0 H ASP A 25 -1.603 6.881 -5.758 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.265 4.806 -4.841 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.932 6.926 -3.649 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.616 7.832 -4.984 1.00 0.00 H new ATOM 346 N LEU A 26 -4.402 6.466 -7.466 1.00 0.00 N ATOM 347 CA LEU A 26 -5.389 6.429 -8.543 1.00 0.00 C ATOM 348 C LEU A 26 -5.193 5.200 -9.436 1.00 0.00 C ATOM 349 O LEU A 26 -6.159 4.518 -9.783 1.00 0.00 O ATOM 350 CB LEU A 26 -5.304 7.713 -9.384 1.00 0.00 C ATOM 351 CG LEU A 26 -6.626 8.195 -10.000 1.00 0.00 C ATOM 352 CD1 LEU A 26 -7.175 7.169 -10.981 1.00 0.00 C ATOM 353 CD2 LEU A 26 -7.648 8.500 -8.911 1.00 0.00 C ATOM 0 H LEU A 26 -3.712 7.212 -7.554 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.378 6.362 -8.090 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.905 8.510 -8.757 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.587 7.551 -10.189 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.427 9.115 -10.550 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.111 7.534 -11.403 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.453 7.009 -11.782 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.354 6.228 -10.461 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.577 8.840 -9.369 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.839 7.599 -8.328 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.260 9.280 -8.256 1.00 0.00 H new ATOM 365 N VAL A 27 -3.940 4.923 -9.809 1.00 0.00 N ATOM 366 CA VAL A 27 -3.634 3.776 -10.669 1.00 0.00 C ATOM 367 C VAL A 27 -3.806 2.440 -9.935 1.00 0.00 C ATOM 368 O VAL A 27 -4.345 1.487 -10.500 1.00 0.00 O ATOM 369 CB VAL A 27 -2.211 3.867 -11.273 1.00 0.00 C ATOM 370 CG1 VAL A 27 -1.143 3.816 -10.191 1.00 0.00 C ATOM 371 CG2 VAL A 27 -1.996 2.761 -12.297 1.00 0.00 C ATOM 0 H VAL A 27 -3.127 5.473 -9.532 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.356 3.812 -11.484 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.122 4.829 -11.777 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.157 3.882 -10.650 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.281 4.651 -9.504 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.226 2.878 -9.642 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.991 2.839 -12.712 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.115 1.791 -11.815 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.728 2.860 -13.099 1.00 0.00 H new ATOM 381 N ARG A 28 -3.353 2.376 -8.679 1.00 0.00 N ATOM 382 CA ARG A 28 -3.469 1.152 -7.879 1.00 0.00 C ATOM 383 C ARG A 28 -4.932 0.724 -7.733 1.00 0.00 C ATOM 384 O ARG A 28 -5.234 -0.469 -7.711 1.00 0.00 O ATOM 385 CB ARG A 28 -2.818 1.332 -6.498 1.00 0.00 C ATOM 386 CG ARG A 28 -3.526 2.332 -5.598 1.00 0.00 C ATOM 387 CD ARG A 28 -4.538 1.659 -4.684 1.00 0.00 C ATOM 388 NE ARG A 28 -3.911 0.696 -3.776 1.00 0.00 N ATOM 389 CZ ARG A 28 -4.571 0.015 -2.838 1.00 0.00 C ATOM 390 NH1 ARG A 28 -5.865 0.243 -2.622 1.00 0.00 N ATOM 391 NH2 ARG A 28 -3.931 -0.886 -2.102 1.00 0.00 N ATOM 0 H ARG A 28 -2.904 3.154 -8.196 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.936 0.361 -8.407 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.788 0.366 -5.995 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.785 1.652 -6.635 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.789 2.862 -4.995 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.031 3.078 -6.212 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.060 2.418 -4.101 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.288 1.150 -5.289 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.908 0.536 -3.866 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.359 0.943 -3.176 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.362 -0.282 -1.903 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.937 -1.056 -2.255 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.433 -1.408 -1.384 1.00 0.00 H new ATOM 405 N ALA A 29 -5.836 1.707 -7.636 1.00 0.00 N ATOM 406 CA ALA A 29 -7.271 1.435 -7.499 1.00 0.00 C ATOM 407 C ALA A 29 -7.795 0.546 -8.632 1.00 0.00 C ATOM 408 O ALA A 29 -8.795 -0.152 -8.462 1.00 0.00 O ATOM 409 CB ALA A 29 -8.058 2.738 -7.448 1.00 0.00 C ATOM 0 H ALA A 29 -5.598 2.699 -7.650 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.411 0.895 -6.563 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.121 2.518 -7.346 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.727 3.330 -6.595 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.890 3.300 -8.367 1.00 0.00 H new ATOM 415 N VAL A 30 -7.112 0.564 -9.781 1.00 0.00 N ATOM 416 CA VAL A 30 -7.518 -0.259 -10.922 1.00 0.00 C ATOM 417 C VAL A 30 -7.030 -1.709 -10.764 1.00 0.00 C ATOM 418 O VAL A 30 -7.259 -2.544 -11.641 1.00 0.00 O ATOM 419 CB VAL A 30 -6.977 0.317 -12.253 1.00 0.00 C ATOM 420 CG1 VAL A 30 -7.619 -0.378 -13.447 1.00 0.00 C ATOM 421 CG2 VAL A 30 -7.205 1.822 -12.327 1.00 0.00 C ATOM 0 H VAL A 30 -6.282 1.135 -9.944 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.608 -0.249 -10.947 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.903 0.131 -12.285 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.223 0.044 -14.370 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.396 -1.444 -13.411 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.699 -0.232 -13.416 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.816 2.203 -13.271 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.273 2.032 -12.263 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.689 2.309 -11.499 1.00 0.00 H new ATOM 431 N ASP A 31 -6.371 -2.007 -9.632 1.00 0.00 N ATOM 432 CA ASP A 31 -5.866 -3.348 -9.348 1.00 0.00 C ATOM 433 C ASP A 31 -5.018 -3.881 -10.505 1.00 0.00 C ATOM 434 O ASP A 31 -5.195 -5.015 -10.955 1.00 0.00 O ATOM 435 CB ASP A 31 -7.028 -4.295 -9.036 1.00 0.00 C ATOM 436 CG ASP A 31 -6.581 -5.532 -8.278 1.00 0.00 C ATOM 437 OD1 ASP A 31 -6.157 -5.392 -7.111 1.00 0.00 O ATOM 438 OD2 ASP A 31 -6.651 -6.639 -8.852 1.00 0.00 O ATOM 0 H ASP A 31 -6.178 -1.327 -8.897 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.220 -3.291 -8.472 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.778 -3.764 -8.449 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.507 -4.597 -9.967 1.00 0.00 H new ATOM 443 N LEU A 32 -4.092 -3.051 -10.982 1.00 0.00 N ATOM 444 CA LEU A 32 -3.212 -3.433 -12.084 1.00 0.00 C ATOM 445 C LEU A 32 -1.829 -3.836 -11.564 1.00 0.00 C ATOM 446 O LEU A 32 -0.811 -3.563 -12.205 1.00 0.00 O ATOM 447 CB LEU A 32 -3.086 -2.277 -13.084 1.00 0.00 C ATOM 448 CG LEU A 32 -4.412 -1.732 -13.622 1.00 0.00 C ATOM 449 CD1 LEU A 32 -4.240 -0.306 -14.124 1.00 0.00 C ATOM 450 CD2 LEU A 32 -4.953 -2.629 -14.727 1.00 0.00 C ATOM 0 H LEU A 32 -3.932 -2.110 -10.622 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.650 -4.294 -12.590 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.544 -1.461 -12.605 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.480 -2.611 -13.926 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.135 -1.723 -12.806 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.193 0.064 -14.502 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.903 0.330 -13.305 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.500 -0.289 -14.925 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.896 -2.224 -15.096 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.233 -2.674 -15.544 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.118 -3.632 -14.333 1.00 0.00 H new ATOM 462 N SER A 33 -1.800 -4.491 -10.400 1.00 0.00 N ATOM 463 CA SER A 33 -0.547 -4.934 -9.796 1.00 0.00 C ATOM 464 C SER A 33 -0.486 -6.460 -9.729 1.00 0.00 C ATOM 465 O SER A 33 -1.508 -7.119 -9.535 1.00 0.00 O ATOM 466 CB SER A 33 -0.396 -4.344 -8.390 1.00 0.00 C ATOM 467 OG SER A 33 0.708 -3.456 -8.324 1.00 0.00 O ATOM 0 H SER A 33 -2.633 -4.725 -9.859 1.00 0.00 H new ATOM 0 HA SER A 33 0.274 -4.581 -10.420 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.309 -3.816 -8.114 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.263 -5.149 -7.667 1.00 0.00 H new ATOM 0 HG SER A 33 0.781 -3.092 -7.417 1.00 0.00 H new ATOM 473 N PRO A 34 0.720 -7.043 -9.881 1.00 0.00 N ATOM 474 CA PRO A 34 0.909 -8.500 -9.829 1.00 0.00 C ATOM 475 C PRO A 34 0.616 -9.082 -8.444 1.00 0.00 C ATOM 476 O PRO A 34 0.151 -10.215 -8.325 1.00 0.00 O ATOM 477 CB PRO A 34 2.389 -8.686 -10.184 1.00 0.00 C ATOM 478 CG PRO A 34 3.031 -7.387 -9.841 1.00 0.00 C ATOM 479 CD PRO A 34 1.994 -6.332 -10.107 1.00 0.00 C ATOM 0 HA PRO A 34 0.227 -9.018 -10.503 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.831 -9.507 -9.619 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.515 -8.922 -11.241 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.346 -7.371 -8.798 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.922 -7.220 -10.446 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.104 -5.481 -9.435 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.064 -5.946 -11.124 1.00 0.00 H new ATOM 487 N HIS A 35 0.897 -8.298 -7.399 1.00 0.00 N ATOM 488 CA HIS A 35 0.668 -8.736 -6.020 1.00 0.00 C ATOM 489 C HIS A 35 -0.806 -8.592 -5.628 1.00 0.00 C ATOM 490 O HIS A 35 -1.345 -9.444 -4.920 1.00 0.00 O ATOM 491 CB HIS A 35 1.544 -7.938 -5.045 1.00 0.00 C ATOM 492 CG HIS A 35 3.010 -7.941 -5.383 1.00 0.00 C ATOM 493 ND1 HIS A 35 3.564 -8.731 -6.373 1.00 0.00 N ATOM 494 CD2 HIS A 35 4.039 -7.234 -4.854 1.00 0.00 C ATOM 495 CE1 HIS A 35 4.865 -8.510 -6.435 1.00 0.00 C ATOM 496 NE2 HIS A 35 5.178 -7.606 -5.525 1.00 0.00 N ATOM 0 H HIS A 35 1.283 -7.358 -7.482 1.00 0.00 H new ATOM 0 HA HIS A 35 0.939 -9.790 -5.962 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.191 -6.907 -5.019 1.00 0.00 H new ATOM 0 HB3 HIS A 35 1.414 -8.345 -4.042 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.975 -6.512 -4.053 1.00 0.00 H new ATOM 0 HE1 HIS A 35 5.555 -8.988 -7.115 1.00 0.00 H new ATOM 0 HE2 HIS A 35 6.115 -7.243 -5.349 1.00 0.00 H new ATOM 505 N GLU A 36 -1.440 -7.505 -6.093 1.00 0.00 N ATOM 506 CA GLU A 36 -2.851 -7.214 -5.807 1.00 0.00 C ATOM 507 C GLU A 36 -3.225 -7.562 -4.362 1.00 0.00 C ATOM 508 O GLU A 36 -3.837 -8.599 -4.095 1.00 0.00 O ATOM 509 CB GLU A 36 -3.774 -7.945 -6.798 1.00 0.00 C ATOM 510 CG GLU A 36 -3.475 -9.429 -6.958 1.00 0.00 C ATOM 511 CD GLU A 36 -4.486 -10.139 -7.840 1.00 0.00 C ATOM 512 OE1 GLU A 36 -5.656 -10.271 -7.418 1.00 0.00 O ATOM 513 OE2 GLU A 36 -4.108 -10.566 -8.952 1.00 0.00 O ATOM 0 H GLU A 36 -0.987 -6.803 -6.678 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.990 -6.140 -5.931 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.806 -7.828 -6.468 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.694 -7.464 -7.773 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.479 -9.551 -7.384 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.462 -9.901 -5.975 1.00 0.00 H new ATOM 520 N VAL A 37 -2.848 -6.681 -3.434 1.00 0.00 N ATOM 521 CA VAL A 37 -3.138 -6.890 -2.016 1.00 0.00 C ATOM 522 C VAL A 37 -3.920 -5.716 -1.426 1.00 0.00 C ATOM 523 O VAL A 37 -3.850 -4.592 -1.930 1.00 0.00 O ATOM 524 CB VAL A 37 -1.844 -7.099 -1.199 1.00 0.00 C ATOM 525 CG1 VAL A 37 -1.085 -8.322 -1.695 1.00 0.00 C ATOM 526 CG2 VAL A 37 -0.963 -5.858 -1.251 1.00 0.00 C ATOM 0 H VAL A 37 -2.343 -5.819 -3.639 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.748 -7.791 -1.952 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.124 -7.271 -0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.177 -8.450 -1.106 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.713 -9.207 -1.591 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.821 -8.186 -2.744 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.058 -6.030 -0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.694 -5.646 -2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.506 -5.009 -0.836 1.00 0.00 H new ATOM 536 N THR A 38 -4.664 -5.988 -0.352 1.00 0.00 N ATOM 537 CA THR A 38 -5.463 -4.959 0.314 1.00 0.00 C ATOM 538 C THR A 38 -4.693 -4.340 1.480 1.00 0.00 C ATOM 539 O THR A 38 -4.359 -5.026 2.449 1.00 0.00 O ATOM 540 CB THR A 38 -6.791 -5.542 0.820 1.00 0.00 C ATOM 541 OG1 THR A 38 -7.155 -6.702 0.089 1.00 0.00 O ATOM 542 CG2 THR A 38 -7.945 -4.565 0.735 1.00 0.00 C ATOM 0 H THR A 38 -4.729 -6.912 0.075 1.00 0.00 H new ATOM 0 HA THR A 38 -5.676 -4.180 -0.418 1.00 0.00 H new ATOM 0 HB THR A 38 -6.612 -5.783 1.868 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.701 -6.444 -0.683 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.852 -5.040 1.108 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.722 -3.685 1.338 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.092 -4.265 -0.303 1.00 0.00 H new ATOM 550 N VAL A 39 -4.417 -3.041 1.376 1.00 0.00 N ATOM 551 CA VAL A 39 -3.690 -2.319 2.419 1.00 0.00 C ATOM 552 C VAL A 39 -4.602 -1.323 3.134 1.00 0.00 C ATOM 553 O VAL A 39 -5.368 -0.600 2.493 1.00 0.00 O ATOM 554 CB VAL A 39 -2.463 -1.575 1.841 1.00 0.00 C ATOM 555 CG1 VAL A 39 -2.888 -0.477 0.874 1.00 0.00 C ATOM 556 CG2 VAL A 39 -1.604 -1.007 2.962 1.00 0.00 C ATOM 0 H VAL A 39 -4.687 -2.466 0.578 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.341 -3.061 3.138 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.866 -2.296 1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.004 0.027 0.485 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.448 -0.916 0.048 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.517 0.244 1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.746 -0.487 2.535 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.194 -0.307 3.554 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.256 -1.819 3.601 1.00 0.00 H new ATOM 566 N LEU A 40 -4.514 -1.287 4.464 1.00 0.00 N ATOM 567 CA LEU A 40 -5.334 -0.373 5.256 1.00 0.00 C ATOM 568 C LEU A 40 -4.459 0.569 6.084 1.00 0.00 C ATOM 569 O LEU A 40 -3.604 0.123 6.852 1.00 0.00 O ATOM 570 CB LEU A 40 -6.284 -1.157 6.172 1.00 0.00 C ATOM 571 CG LEU A 40 -5.620 -2.227 7.048 1.00 0.00 C ATOM 572 CD1 LEU A 40 -6.269 -2.274 8.423 1.00 0.00 C ATOM 573 CD2 LEU A 40 -5.694 -3.592 6.375 1.00 0.00 C ATOM 0 H LEU A 40 -3.887 -1.876 5.012 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.928 0.228 4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.801 -0.450 6.821 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.043 -1.637 5.554 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.570 -1.962 7.174 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.783 -3.039 9.029 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.162 -1.304 8.909 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.327 -2.512 8.318 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.218 -4.338 7.012 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.738 -3.863 6.216 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.179 -3.553 5.415 1.00 0.00 H new ATOM 585 N VAL A 41 -4.686 1.873 5.924 1.00 0.00 N ATOM 586 CA VAL A 41 -3.928 2.886 6.654 1.00 0.00 C ATOM 587 C VAL A 41 -4.866 3.790 7.445 1.00 0.00 C ATOM 588 O VAL A 41 -5.854 4.298 6.908 1.00 0.00 O ATOM 589 CB VAL A 41 -3.074 3.762 5.708 1.00 0.00 C ATOM 590 CG1 VAL A 41 -2.172 4.697 6.504 1.00 0.00 C ATOM 591 CG2 VAL A 41 -2.249 2.903 4.760 1.00 0.00 C ATOM 0 H VAL A 41 -5.392 2.252 5.293 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.262 2.353 7.332 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.755 4.367 5.109 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.581 5.303 5.818 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.784 5.348 7.129 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.506 4.109 7.135 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.659 3.546 4.107 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.583 2.262 5.337 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.914 2.285 4.156 1.00 0.00 H new ATOM 601 N ASP A 42 -4.548 3.991 8.719 1.00 0.00 N ATOM 602 CA ASP A 42 -5.357 4.838 9.586 1.00 0.00 C ATOM 603 C ASP A 42 -5.035 6.311 9.346 1.00 0.00 C ATOM 604 O ASP A 42 -3.867 6.706 9.330 1.00 0.00 O ATOM 605 CB ASP A 42 -5.135 4.465 11.057 1.00 0.00 C ATOM 606 CG ASP A 42 -3.711 4.709 11.532 1.00 0.00 C ATOM 607 OD1 ASP A 42 -2.783 4.066 10.995 1.00 0.00 O ATOM 608 OD2 ASP A 42 -3.528 5.535 12.448 1.00 0.00 O ATOM 0 H ASP A 42 -3.734 3.578 9.174 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.408 4.676 9.347 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.821 5.041 11.678 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.383 3.413 11.199 1.00 0.00 H new ATOM 613 N GLY A 43 -6.081 7.112 9.146 1.00 0.00 N ATOM 614 CA GLY A 43 -5.903 8.534 8.895 1.00 0.00 C ATOM 615 C GLY A 43 -5.286 9.267 10.073 1.00 0.00 C ATOM 616 O GLY A 43 -6.001 9.812 10.916 1.00 0.00 O ATOM 0 H GLY A 43 -7.052 6.800 9.153 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.269 8.667 8.018 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.869 8.981 8.661 1.00 0.00 H new ATOM 620 N ARG A 44 -3.954 9.275 10.130 1.00 0.00 N ATOM 621 CA ARG A 44 -3.228 9.938 11.208 1.00 0.00 C ATOM 622 C ARG A 44 -2.261 10.983 10.649 1.00 0.00 C ATOM 623 O ARG A 44 -1.706 10.804 9.565 1.00 0.00 O ATOM 624 CB ARG A 44 -2.458 8.907 12.036 1.00 0.00 C ATOM 625 CG ARG A 44 -3.126 8.559 13.356 1.00 0.00 C ATOM 626 CD ARG A 44 -2.450 9.259 14.524 1.00 0.00 C ATOM 627 NE ARG A 44 -3.270 10.341 15.068 1.00 0.00 N ATOM 628 CZ ARG A 44 -2.939 11.060 16.144 1.00 0.00 C ATOM 629 NH1 ARG A 44 -1.809 10.810 16.800 1.00 0.00 N ATOM 630 NH2 ARG A 44 -3.741 12.032 16.564 1.00 0.00 N ATOM 0 H ARG A 44 -3.355 8.826 9.437 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.952 10.443 11.847 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.340 7.997 11.448 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.457 9.289 12.236 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.178 8.844 13.319 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.093 7.480 13.508 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.242 8.533 15.310 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.490 9.661 14.199 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.148 10.560 14.597 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.189 10.065 16.482 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.563 11.363 17.621 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.609 12.229 16.065 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.489 12.582 17.386 1.00 0.00 H new ATOM 644 N PRO A 45 -2.048 12.092 11.387 1.00 0.00 N ATOM 645 CA PRO A 45 -1.142 13.170 10.963 1.00 0.00 C ATOM 646 C PRO A 45 0.265 12.660 10.646 1.00 0.00 C ATOM 647 O PRO A 45 1.007 12.260 11.546 1.00 0.00 O ATOM 648 CB PRO A 45 -1.109 14.108 12.175 1.00 0.00 C ATOM 649 CG PRO A 45 -2.385 13.845 12.894 1.00 0.00 C ATOM 650 CD PRO A 45 -2.675 12.385 12.691 1.00 0.00 C ATOM 0 HA PRO A 45 -1.484 13.648 10.045 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -0.247 13.903 12.810 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -1.037 15.151 11.866 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.293 14.082 13.954 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.191 14.463 12.498 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.249 11.776 13.488 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.747 12.186 12.676 1.00 0.00 H new ATOM 658 N VAL A 46 0.622 12.676 9.363 1.00 0.00 N ATOM 659 CA VAL A 46 1.938 12.218 8.923 1.00 0.00 C ATOM 660 C VAL A 46 2.712 13.358 8.261 1.00 0.00 C ATOM 661 O VAL A 46 2.208 14.000 7.338 1.00 0.00 O ATOM 662 CB VAL A 46 1.830 11.039 7.927 1.00 0.00 C ATOM 663 CG1 VAL A 46 3.202 10.449 7.630 1.00 0.00 C ATOM 664 CG2 VAL A 46 0.892 9.962 8.456 1.00 0.00 C ATOM 0 H VAL A 46 0.017 13.002 8.609 1.00 0.00 H new ATOM 0 HA VAL A 46 2.470 11.878 9.812 1.00 0.00 H new ATOM 0 HB VAL A 46 1.415 11.428 6.997 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.098 9.622 6.927 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.842 11.217 7.195 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.650 10.085 8.555 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.834 9.145 7.737 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.271 9.584 9.405 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.101 10.386 8.605 1.00 0.00 H new ATOM 674 N PRO A 47 3.952 13.623 8.722 1.00 0.00 N ATOM 675 CA PRO A 47 4.795 14.690 8.163 1.00 0.00 C ATOM 676 C PRO A 47 4.968 14.556 6.654 1.00 0.00 C ATOM 677 O PRO A 47 5.506 13.558 6.169 1.00 0.00 O ATOM 678 CB PRO A 47 6.139 14.497 8.873 1.00 0.00 C ATOM 679 CG PRO A 47 5.804 13.791 10.140 1.00 0.00 C ATOM 680 CD PRO A 47 4.631 12.907 9.821 1.00 0.00 C ATOM 0 HA PRO A 47 4.357 15.676 8.316 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.827 13.911 8.264 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.623 15.454 9.070 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.651 13.204 10.495 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.555 14.501 10.929 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.950 11.911 9.515 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.976 12.781 10.683 1.00 0.00 H new ATOM 688 N GLU A 48 4.511 15.568 5.916 1.00 0.00 N ATOM 689 CA GLU A 48 4.622 15.565 4.457 1.00 0.00 C ATOM 690 C GLU A 48 6.086 15.466 4.014 1.00 0.00 C ATOM 691 O GLU A 48 6.376 15.001 2.910 1.00 0.00 O ATOM 692 CB GLU A 48 3.970 16.816 3.853 1.00 0.00 C ATOM 693 CG GLU A 48 4.444 18.132 4.465 1.00 0.00 C ATOM 694 CD GLU A 48 3.530 18.654 5.564 1.00 0.00 C ATOM 695 OE1 GLU A 48 2.292 18.542 5.423 1.00 0.00 O ATOM 696 OE2 GLU A 48 4.055 19.183 6.566 1.00 0.00 O ATOM 0 H GLU A 48 4.062 16.398 6.303 1.00 0.00 H new ATOM 0 HA GLU A 48 4.092 14.686 4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.171 16.834 2.782 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.889 16.742 3.973 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.446 17.995 4.871 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.519 18.883 3.679 1.00 0.00 H new ATOM 703 N ASP A 49 7.006 15.895 4.885 1.00 0.00 N ATOM 704 CA ASP A 49 8.436 15.844 4.582 1.00 0.00 C ATOM 705 C ASP A 49 9.095 14.591 5.175 1.00 0.00 C ATOM 706 O ASP A 49 10.317 14.541 5.330 1.00 0.00 O ATOM 707 CB ASP A 49 9.132 17.106 5.105 1.00 0.00 C ATOM 708 CG ASP A 49 9.328 18.150 4.021 1.00 0.00 C ATOM 709 OD1 ASP A 49 10.379 18.116 3.347 1.00 0.00 O ATOM 710 OD2 ASP A 49 8.431 19.001 3.847 1.00 0.00 O ATOM 0 H ASP A 49 6.784 16.280 5.803 1.00 0.00 H new ATOM 0 HA ASP A 49 8.545 15.796 3.499 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.542 17.534 5.915 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.101 16.836 5.525 1.00 0.00 H new ATOM 715 N GLN A 50 8.285 13.577 5.502 1.00 0.00 N ATOM 716 CA GLN A 50 8.801 12.334 6.071 1.00 0.00 C ATOM 717 C GLN A 50 9.502 11.491 5.002 1.00 0.00 C ATOM 718 O GLN A 50 10.714 11.283 5.067 1.00 0.00 O ATOM 719 CB GLN A 50 7.664 11.535 6.722 1.00 0.00 C ATOM 720 CG GLN A 50 8.137 10.328 7.516 1.00 0.00 C ATOM 721 CD GLN A 50 7.417 9.052 7.121 1.00 0.00 C ATOM 722 OE1 GLN A 50 6.196 8.955 7.237 1.00 0.00 O ATOM 723 NE2 GLN A 50 8.171 8.062 6.652 1.00 0.00 N ATOM 0 H GLN A 50 7.272 13.596 5.381 1.00 0.00 H new ATOM 0 HA GLN A 50 9.535 12.588 6.836 1.00 0.00 H new ATOM 0 HB2 GLN A 50 7.101 12.195 7.383 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.977 11.200 5.945 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.209 10.197 7.367 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.983 10.514 8.579 1.00 0.00 H new ATOM 0 HE21 GLN A 50 9.181 8.184 6.572 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.740 7.181 6.372 1.00 0.00 H new ATOM 732 N SER A 51 8.735 11.010 4.022 1.00 0.00 N ATOM 733 CA SER A 51 9.286 10.192 2.943 1.00 0.00 C ATOM 734 C SER A 51 8.268 10.027 1.817 1.00 0.00 C ATOM 735 O SER A 51 7.539 9.037 1.771 1.00 0.00 O ATOM 736 CB SER A 51 9.711 8.822 3.482 1.00 0.00 C ATOM 737 OG SER A 51 10.264 8.011 2.457 1.00 0.00 O ATOM 0 H SER A 51 7.730 11.173 3.954 1.00 0.00 H new ATOM 0 HA SER A 51 10.163 10.698 2.540 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.443 8.954 4.279 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.850 8.319 3.921 1.00 0.00 H new ATOM 0 HG SER A 51 10.527 7.144 2.832 1.00 0.00 H new ATOM 743 N VAL A 52 8.220 11.016 0.918 1.00 0.00 N ATOM 744 CA VAL A 52 7.287 11.009 -0.215 1.00 0.00 C ATOM 745 C VAL A 52 5.891 10.502 0.192 1.00 0.00 C ATOM 746 O VAL A 52 5.223 9.798 -0.569 1.00 0.00 O ATOM 747 CB VAL A 52 7.843 10.179 -1.404 1.00 0.00 C ATOM 748 CG1 VAL A 52 7.900 8.694 -1.072 1.00 0.00 C ATOM 749 CG2 VAL A 52 7.017 10.422 -2.663 1.00 0.00 C ATOM 0 H VAL A 52 8.822 11.839 0.954 1.00 0.00 H new ATOM 0 HA VAL A 52 7.182 12.044 -0.541 1.00 0.00 H new ATOM 0 HB VAL A 52 8.864 10.512 -1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.294 8.145 -1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.549 8.538 -0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.898 8.334 -0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.423 9.831 -3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.983 10.129 -2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 52 7.054 11.480 -2.924 1.00 0.00 H new ATOM 759 N GLU A 53 5.455 10.885 1.398 1.00 0.00 N ATOM 760 CA GLU A 53 4.142 10.494 1.918 1.00 0.00 C ATOM 761 C GLU A 53 3.947 8.974 1.891 1.00 0.00 C ATOM 762 O GLU A 53 2.950 8.479 1.358 1.00 0.00 O ATOM 763 CB GLU A 53 3.026 11.181 1.119 1.00 0.00 C ATOM 764 CG GLU A 53 3.284 12.658 0.840 1.00 0.00 C ATOM 765 CD GLU A 53 2.910 13.567 2.001 1.00 0.00 C ATOM 766 OE1 GLU A 53 2.803 13.072 3.145 1.00 0.00 O ATOM 767 OE2 GLU A 53 2.728 14.779 1.764 1.00 0.00 O ATOM 0 H GLU A 53 5.997 11.469 2.035 1.00 0.00 H new ATOM 0 HA GLU A 53 4.093 10.817 2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.898 10.659 0.171 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.088 11.083 1.666 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.339 12.797 0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.719 12.957 -0.043 1.00 0.00 H new ATOM 774 N VAL A 54 4.894 8.235 2.474 1.00 0.00 N ATOM 775 CA VAL A 54 4.793 6.775 2.510 1.00 0.00 C ATOM 776 C VAL A 54 4.428 6.269 3.902 1.00 0.00 C ATOM 777 O VAL A 54 4.585 6.976 4.900 1.00 0.00 O ATOM 778 CB VAL A 54 6.096 6.074 2.064 1.00 0.00 C ATOM 779 CG1 VAL A 54 6.374 6.335 0.590 1.00 0.00 C ATOM 780 CG2 VAL A 54 7.276 6.501 2.932 1.00 0.00 C ATOM 0 H VAL A 54 5.727 8.617 2.921 1.00 0.00 H new ATOM 0 HA VAL A 54 4.001 6.525 1.804 1.00 0.00 H new ATOM 0 HB VAL A 54 5.962 5.000 2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.296 5.832 0.299 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.547 5.953 -0.009 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.478 7.407 0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.179 5.992 2.595 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.416 7.579 2.851 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.078 6.238 3.971 1.00 0.00 H new ATOM 790 N ASP A 55 3.945 5.030 3.950 1.00 0.00 N ATOM 791 CA ASP A 55 3.554 4.392 5.201 1.00 0.00 C ATOM 792 C ASP A 55 3.758 2.881 5.114 1.00 0.00 C ATOM 793 O ASP A 55 3.508 2.275 4.069 1.00 0.00 O ATOM 794 CB ASP A 55 2.085 4.708 5.509 1.00 0.00 C ATOM 795 CG ASP A 55 1.716 4.442 6.956 1.00 0.00 C ATOM 796 OD1 ASP A 55 1.488 3.265 7.306 1.00 0.00 O ATOM 797 OD2 ASP A 55 1.649 5.412 7.738 1.00 0.00 O ATOM 0 H ASP A 55 3.815 4.443 3.126 1.00 0.00 H new ATOM 0 HA ASP A 55 4.179 4.781 6.005 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.887 5.754 5.275 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.446 4.109 4.860 1.00 0.00 H new ATOM 802 N ARG A 56 4.190 2.271 6.215 1.00 0.00 N ATOM 803 CA ARG A 56 4.396 0.825 6.245 1.00 0.00 C ATOM 804 C ARG A 56 3.148 0.147 6.800 1.00 0.00 C ATOM 805 O ARG A 56 2.685 0.480 7.892 1.00 0.00 O ATOM 806 CB ARG A 56 5.616 0.459 7.099 1.00 0.00 C ATOM 807 CG ARG A 56 5.813 -1.044 7.262 1.00 0.00 C ATOM 808 CD ARG A 56 7.283 -1.439 7.178 1.00 0.00 C ATOM 809 NE ARG A 56 7.928 -1.458 8.493 1.00 0.00 N ATOM 810 CZ ARG A 56 9.107 -2.039 8.742 1.00 0.00 C ATOM 811 NH1 ARG A 56 9.785 -2.643 7.768 1.00 0.00 N ATOM 812 NH2 ARG A 56 9.613 -2.012 9.971 1.00 0.00 N ATOM 0 H ARG A 56 4.403 2.750 7.090 1.00 0.00 H new ATOM 0 HA ARG A 56 4.581 0.479 5.228 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.509 0.888 6.645 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.510 0.913 8.084 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.407 -1.361 8.222 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.252 -1.569 6.489 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.367 -2.425 6.720 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.809 -0.740 6.528 1.00 0.00 H new ATOM 0 HE ARG A 56 7.448 -0.999 9.267 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.406 -2.666 6.821 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.683 -3.083 7.969 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.102 -1.549 10.723 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.512 -2.455 10.162 1.00 0.00 H new ATOM 826 N VAL A 57 2.599 -0.792 6.033 1.00 0.00 N ATOM 827 CA VAL A 57 1.388 -1.501 6.438 1.00 0.00 C ATOM 828 C VAL A 57 1.503 -2.999 6.152 1.00 0.00 C ATOM 829 O VAL A 57 2.375 -3.431 5.398 1.00 0.00 O ATOM 830 CB VAL A 57 0.153 -0.932 5.694 1.00 0.00 C ATOM 831 CG1 VAL A 57 -1.146 -1.508 6.241 1.00 0.00 C ATOM 832 CG2 VAL A 57 0.130 0.589 5.766 1.00 0.00 C ATOM 0 H VAL A 57 2.973 -1.079 5.129 1.00 0.00 H new ATOM 0 HA VAL A 57 1.266 -1.357 7.511 1.00 0.00 H new ATOM 0 HB VAL A 57 0.237 -1.231 4.649 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.990 -1.086 5.695 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.142 -2.591 6.122 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.237 -1.260 7.298 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.746 0.965 5.237 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.087 0.903 6.809 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.033 0.989 5.304 1.00 0.00 H new ATOM 842 N LYS A 58 0.608 -3.783 6.751 1.00 0.00 N ATOM 843 CA LYS A 58 0.590 -5.230 6.551 1.00 0.00 C ATOM 844 C LYS A 58 -0.539 -5.612 5.595 1.00 0.00 C ATOM 845 O LYS A 58 -1.698 -5.251 5.814 1.00 0.00 O ATOM 846 CB LYS A 58 0.423 -5.962 7.889 1.00 0.00 C ATOM 847 CG LYS A 58 -0.527 -5.273 8.859 1.00 0.00 C ATOM 848 CD LYS A 58 -0.663 -6.052 10.159 1.00 0.00 C ATOM 849 CE LYS A 58 0.642 -6.059 10.943 1.00 0.00 C ATOM 850 NZ LYS A 58 0.544 -6.871 12.189 1.00 0.00 N ATOM 0 H LYS A 58 -0.116 -3.438 7.381 1.00 0.00 H new ATOM 0 HA LYS A 58 1.542 -5.530 6.114 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.059 -6.971 7.696 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.400 -6.060 8.362 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.164 -4.268 9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.507 -5.165 8.394 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.452 -5.611 10.768 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.963 -7.077 9.941 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.440 -6.455 10.315 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.916 -5.035 11.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.455 -6.848 12.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.199 -6.479 12.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.308 -7.854 11.945 1.00 0.00 H new ATOM 864 N VAL A 59 -0.190 -6.333 4.531 1.00 0.00 N ATOM 865 CA VAL A 59 -1.169 -6.755 3.530 1.00 0.00 C ATOM 866 C VAL A 59 -1.155 -8.268 3.339 1.00 0.00 C ATOM 867 O VAL A 59 -0.098 -8.901 3.383 1.00 0.00 O ATOM 868 CB VAL A 59 -0.932 -6.076 2.162 1.00 0.00 C ATOM 869 CG1 VAL A 59 -1.045 -4.564 2.283 1.00 0.00 C ATOM 870 CG2 VAL A 59 0.418 -6.472 1.578 1.00 0.00 C ATOM 0 H VAL A 59 0.764 -6.638 4.339 1.00 0.00 H new ATOM 0 HA VAL A 59 -2.142 -6.446 3.911 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.707 -6.423 1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.874 -4.107 1.308 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.041 -4.301 2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.300 -4.199 2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.557 -5.979 0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.213 -6.168 2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.452 -7.553 1.440 1.00 0.00 H new ATOM 880 N LEU A 60 -2.334 -8.843 3.121 1.00 0.00 N ATOM 881 CA LEU A 60 -2.455 -10.280 2.914 1.00 0.00 C ATOM 882 C LEU A 60 -2.411 -10.595 1.418 1.00 0.00 C ATOM 883 O LEU A 60 -3.131 -9.985 0.626 1.00 0.00 O ATOM 884 CB LEU A 60 -3.758 -10.799 3.535 1.00 0.00 C ATOM 885 CG LEU A 60 -3.863 -10.628 5.057 1.00 0.00 C ATOM 886 CD1 LEU A 60 -5.310 -10.744 5.518 1.00 0.00 C ATOM 887 CD2 LEU A 60 -2.989 -11.650 5.773 1.00 0.00 C ATOM 0 H LEU A 60 -3.218 -8.335 3.083 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.619 -10.781 3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.597 -10.283 3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.861 -11.857 3.295 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.505 -9.630 5.311 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.358 -10.619 6.600 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.908 -9.971 5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.700 -11.725 5.248 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.077 -11.513 6.851 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.314 -12.656 5.508 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.950 -11.514 5.474 1.00 0.00 H new ATOM 899 N ARG A 61 -1.536 -11.532 1.041 1.00 0.00 N ATOM 900 CA ARG A 61 -1.360 -11.922 -0.362 1.00 0.00 C ATOM 901 C ARG A 61 -2.693 -12.260 -1.035 1.00 0.00 C ATOM 902 O ARG A 61 -3.343 -13.247 -0.682 1.00 0.00 O ATOM 903 CB ARG A 61 -0.407 -13.119 -0.461 1.00 0.00 C ATOM 904 CG ARG A 61 -0.092 -13.537 -1.890 1.00 0.00 C ATOM 905 CD ARG A 61 0.639 -14.871 -1.935 1.00 0.00 C ATOM 906 NE ARG A 61 0.047 -15.792 -2.906 1.00 0.00 N ATOM 907 CZ ARG A 61 -1.060 -16.508 -2.684 1.00 0.00 C ATOM 908 NH1 ARG A 61 -1.708 -16.411 -1.526 1.00 0.00 N ATOM 909 NH2 ARG A 61 -1.523 -17.324 -3.627 1.00 0.00 N ATOM 0 H ARG A 61 -0.935 -12.037 1.692 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.932 -11.068 -0.887 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.524 -12.873 0.049 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.846 -13.966 0.067 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.018 -13.609 -2.461 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.518 -12.771 -2.368 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.686 -14.702 -2.188 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.620 -15.327 -0.945 1.00 0.00 H new ATOM 0 HE ARG A 61 0.508 -15.894 -3.810 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.361 -15.786 -0.798 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.552 -16.961 -1.366 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.034 -17.403 -4.518 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.367 -17.871 -3.459 1.00 0.00 H new ATOM 923 N LEU A 62 -3.079 -11.435 -2.016 1.00 0.00 N ATOM 924 CA LEU A 62 -4.324 -11.634 -2.762 1.00 0.00 C ATOM 925 C LEU A 62 -5.546 -11.614 -1.835 1.00 0.00 C ATOM 926 O LEU A 62 -5.421 -11.375 -0.632 1.00 0.00 O ATOM 927 CB LEU A 62 -4.265 -12.954 -3.542 1.00 0.00 C ATOM 928 CG LEU A 62 -3.722 -12.843 -4.970 1.00 0.00 C ATOM 929 CD1 LEU A 62 -2.234 -12.516 -4.962 1.00 0.00 C ATOM 930 CD2 LEU A 62 -3.982 -14.131 -5.737 1.00 0.00 C ATOM 0 H LEU A 62 -2.542 -10.619 -2.312 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.430 -10.808 -3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.644 -13.658 -2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.268 -13.378 -3.584 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.244 -12.028 -5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.872 -12.442 -5.988 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.073 -11.567 -4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.691 -13.305 -4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.590 -14.037 -6.750 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.487 -14.961 -5.233 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.055 -14.319 -5.779 1.00 0.00 H new ATOM 942 N ILE A 63 -6.727 -11.860 -2.405 1.00 0.00 N ATOM 943 CA ILE A 63 -7.970 -11.867 -1.632 1.00 0.00 C ATOM 944 C ILE A 63 -8.939 -12.937 -2.144 1.00 0.00 C ATOM 945 O ILE A 63 -8.648 -13.632 -3.120 1.00 0.00 O ATOM 946 CB ILE A 63 -8.667 -10.486 -1.664 1.00 0.00 C ATOM 947 CG1 ILE A 63 -8.919 -10.032 -3.107 1.00 0.00 C ATOM 948 CG2 ILE A 63 -7.836 -9.452 -0.916 1.00 0.00 C ATOM 949 CD1 ILE A 63 -10.258 -9.351 -3.299 1.00 0.00 C ATOM 0 H ILE A 63 -6.849 -12.057 -3.398 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.697 -12.099 -0.602 1.00 0.00 H new ATOM 0 HB ILE A 63 -9.632 -10.582 -1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.126 -9.348 -3.409 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.862 -10.897 -3.767 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.341 -8.487 -0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.715 -9.764 0.122 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.856 -9.365 -1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.370 -9.056 -4.342 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -11.059 -10.040 -3.029 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -10.311 -8.466 -2.664 1.00 0.00 H new ATOM 961 N LYS A 64 -10.089 -13.067 -1.477 1.00 0.00 N ATOM 962 CA LYS A 64 -11.093 -14.055 -1.865 1.00 0.00 C ATOM 963 C LYS A 64 -12.462 -13.405 -2.074 1.00 0.00 C ATOM 964 O LYS A 64 -12.930 -13.283 -3.207 1.00 0.00 O ATOM 965 CB LYS A 64 -11.188 -15.159 -0.807 1.00 0.00 C ATOM 966 CG LYS A 64 -10.745 -16.524 -1.308 1.00 0.00 C ATOM 967 CD LYS A 64 -11.931 -17.366 -1.753 1.00 0.00 C ATOM 968 CE LYS A 64 -11.539 -18.823 -1.956 1.00 0.00 C ATOM 969 NZ LYS A 64 -12.561 -19.763 -1.411 1.00 0.00 N ATOM 0 H LYS A 64 -10.345 -12.501 -0.668 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.781 -14.495 -2.812 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.577 -14.881 0.052 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.218 -15.227 -0.457 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.053 -16.400 -2.141 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.204 -17.045 -0.518 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.723 -17.302 -1.007 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.335 -16.964 -2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.402 -19.016 -3.020 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.581 -19.010 -1.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.252 -20.743 -1.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.675 -19.599 -0.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.470 -19.604 -1.891 1.00 0.00 H new ATOM 983 N GLY A 65 -13.101 -12.997 -0.975 1.00 0.00 N ATOM 984 CA GLY A 65 -14.410 -12.372 -1.060 1.00 0.00 C ATOM 985 C GLY A 65 -14.767 -11.593 0.193 1.00 0.00 C ATOM 986 O GLY A 65 -15.019 -12.186 1.245 1.00 0.00 O ATOM 0 H GLY A 65 -12.733 -13.090 -0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.433 -11.702 -1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.164 -13.139 -1.234 1.00 0.00 H new ATOM 990 N GLY A 66 -14.789 -10.265 0.079 1.00 0.00 N ATOM 991 CA GLY A 66 -15.117 -9.418 1.214 1.00 0.00 C ATOM 992 C GLY A 66 -14.251 -8.175 1.277 1.00 0.00 C ATOM 993 O GLY A 66 -14.691 -7.119 0.777 1.00 0.00 O ATOM 0 H GLY A 66 -14.584 -9.760 -0.783 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.165 -9.125 1.154 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.998 -9.988 2.136 1.00 0.00 H new TER 997 GLY A 66