USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 725 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 16 SER OG : rot 161:sc= 1.02 USER MOD Set 1.2: A 56 GLN : amide:sc= -6.33! C(o=-5.3!,f=-12!) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.112 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -21:sc= 1.1 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -76:sc= 0.297 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.995 K(o=-0.99,f=-2) USER MOD Single : A 22 ASN : amide:sc= 0.593 K(o=0.59,f=-0.1) USER MOD Single : A 24 ASN : amide:sc= -1.73 X(o=-1.7,f=-2.2!) USER MOD Single : A 25 THR OG1 : rot 130:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -161:sc= 0.0851 (180deg=0.0279) USER MOD Single : A 40 TYR OH : rot 180:sc= -1.17 USER MOD Single : A 42 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0374) USER MOD Single : A 46 CYS SG : rot 10:sc= -5.13! USER MOD Single : A 47 SER OG : rot 180:sc= -0.129 USER MOD Single : A 49 HIS : no HE2:sc= -0.107 K(o=-0.11,f=-0.85) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 6:sc= -4.57! USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 62 ASN : amide:sc= -0.0831 K(o=-0.083,f=-1.7!) USER MOD Single : A 74 MET CE :methyl 164:sc= 0 (180deg=-0.269) USER MOD Single : A 78 GLN : amide:sc= -0.0216 K(o=-0.022,f=0.5) USER MOD Single : A 83 ASN : amide:sc= -3.67! C(o=-3.7!,f=-4.7!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.286 K(o=-0.29,f=-1.5!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 38:sc= 0.317 USER MOD Single : A 97 SER OG : rot 24:sc= 0.543 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.236 13.678 21.068 1.00 0.00 N ATOM 2 CA GLY A 1 -4.964 13.021 22.335 1.00 0.00 C ATOM 3 C GLY A 1 -4.651 14.045 23.428 1.00 0.00 C ATOM 4 O GLY A 1 -4.748 15.250 23.201 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.105 13.286 20.653 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.358 14.699 21.225 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.440 13.520 20.417 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.825 12.421 22.630 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.123 12.337 22.221 1.00 0.00 H new ATOM 8 N SER A 2 -4.281 13.528 24.590 1.00 0.00 N ATOM 9 CA SER A 2 -3.953 14.382 25.719 1.00 0.00 C ATOM 10 C SER A 2 -2.649 13.914 26.368 1.00 0.00 C ATOM 11 O SER A 2 -2.272 12.750 26.242 1.00 0.00 O ATOM 12 CB SER A 2 -5.084 14.393 26.748 1.00 0.00 C ATOM 13 OG SER A 2 -5.130 15.616 27.478 1.00 0.00 O ATOM 0 H SER A 2 -4.201 12.528 24.774 1.00 0.00 H new ATOM 0 HA SER A 2 -3.823 15.400 25.351 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.036 14.237 26.241 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.952 13.562 27.441 1.00 0.00 H new ATOM 0 HG SER A 2 -5.867 15.584 28.124 1.00 0.00 H new ATOM 19 N SER A 3 -1.996 14.845 27.048 1.00 0.00 N ATOM 20 CA SER A 3 -0.742 14.542 27.717 1.00 0.00 C ATOM 21 C SER A 3 0.361 14.313 26.683 1.00 0.00 C ATOM 22 O SER A 3 0.577 13.186 26.240 1.00 0.00 O ATOM 23 CB SER A 3 -0.884 13.317 28.623 1.00 0.00 C ATOM 24 OG SER A 3 -0.616 13.629 29.988 1.00 0.00 O ATOM 0 H SER A 3 -2.312 15.810 27.150 1.00 0.00 H new ATOM 0 HA SER A 3 -0.473 15.394 28.342 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.893 12.915 28.534 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.200 12.537 28.288 1.00 0.00 H new ATOM 0 HG SER A 3 -0.719 12.822 30.534 1.00 0.00 H new ATOM 30 N GLY A 4 1.030 15.400 26.327 1.00 0.00 N ATOM 31 CA GLY A 4 2.106 15.331 25.353 1.00 0.00 C ATOM 32 C GLY A 4 3.062 14.180 25.672 1.00 0.00 C ATOM 33 O GLY A 4 3.846 14.263 26.616 1.00 0.00 O ATOM 0 H GLY A 4 0.848 16.333 26.696 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.689 15.196 24.355 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.655 16.273 25.345 1.00 0.00 H new ATOM 37 N SER A 5 2.965 13.132 24.867 1.00 0.00 N ATOM 38 CA SER A 5 3.811 11.965 25.051 1.00 0.00 C ATOM 39 C SER A 5 5.006 12.029 24.097 1.00 0.00 C ATOM 40 O SER A 5 4.954 12.716 23.078 1.00 0.00 O ATOM 41 CB SER A 5 3.023 10.673 24.830 1.00 0.00 C ATOM 42 OG SER A 5 3.656 9.551 25.439 1.00 0.00 O ATOM 0 H SER A 5 2.313 13.067 24.085 1.00 0.00 H new ATOM 0 HA SER A 5 4.175 11.965 26.079 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.018 10.787 25.237 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.916 10.492 23.760 1.00 0.00 H new ATOM 0 HG SER A 5 3.121 8.746 25.277 1.00 0.00 H new ATOM 48 N SER A 6 6.053 11.304 24.462 1.00 0.00 N ATOM 49 CA SER A 6 7.258 11.269 23.651 1.00 0.00 C ATOM 50 C SER A 6 7.706 9.821 23.441 1.00 0.00 C ATOM 51 O SER A 6 8.165 9.168 24.376 1.00 0.00 O ATOM 52 CB SER A 6 8.380 12.084 24.297 1.00 0.00 C ATOM 53 OG SER A 6 9.185 11.289 25.164 1.00 0.00 O ATOM 0 H SER A 6 6.092 10.736 25.308 1.00 0.00 H new ATOM 0 HA SER A 6 7.032 11.716 22.683 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.006 12.520 23.519 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.949 12.912 24.860 1.00 0.00 H new ATOM 0 HG SER A 6 8.682 10.494 25.439 1.00 0.00 H new ATOM 59 N GLY A 7 7.557 9.362 22.207 1.00 0.00 N ATOM 60 CA GLY A 7 7.941 8.004 21.862 1.00 0.00 C ATOM 61 C GLY A 7 9.463 7.864 21.796 1.00 0.00 C ATOM 62 O GLY A 7 10.190 8.686 22.352 1.00 0.00 O ATOM 0 H GLY A 7 7.175 9.907 21.434 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.540 7.310 22.601 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.505 7.732 20.901 1.00 0.00 H new ATOM 66 N LYS A 8 9.900 6.817 21.112 1.00 0.00 N ATOM 67 CA LYS A 8 11.322 6.559 20.967 1.00 0.00 C ATOM 68 C LYS A 8 11.623 6.185 19.514 1.00 0.00 C ATOM 69 O LYS A 8 10.736 5.736 18.789 1.00 0.00 O ATOM 70 CB LYS A 8 11.782 5.508 21.980 1.00 0.00 C ATOM 71 CG LYS A 8 11.105 4.162 21.719 1.00 0.00 C ATOM 72 CD LYS A 8 9.742 4.091 22.411 1.00 0.00 C ATOM 73 CE LYS A 8 8.761 3.239 21.603 1.00 0.00 C ATOM 74 NZ LYS A 8 7.611 2.835 22.442 1.00 0.00 N ATOM 0 H LYS A 8 9.294 6.137 20.652 1.00 0.00 H new ATOM 0 HA LYS A 8 11.897 7.458 21.191 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.864 5.392 21.923 1.00 0.00 H new ATOM 0 HB3 LYS A 8 11.551 5.846 22.990 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.980 4.015 20.646 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.742 3.354 22.079 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.859 3.670 23.409 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.340 5.097 22.534 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.408 3.802 20.739 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.269 2.353 21.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.955 2.258 21.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.951 2.280 23.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.117 3.683 22.786 1.00 0.00 H new ATOM 88 N THR A 9 12.875 6.384 19.132 1.00 0.00 N ATOM 89 CA THR A 9 13.304 6.073 17.779 1.00 0.00 C ATOM 90 C THR A 9 14.403 5.009 17.798 1.00 0.00 C ATOM 91 O THR A 9 15.128 4.878 18.783 1.00 0.00 O ATOM 92 CB THR A 9 13.734 7.379 17.108 1.00 0.00 C ATOM 93 OG1 THR A 9 13.861 7.036 15.731 1.00 0.00 O ATOM 94 CG2 THR A 9 15.144 7.811 17.516 1.00 0.00 C ATOM 0 H THR A 9 13.607 6.757 19.736 1.00 0.00 H new ATOM 0 HA THR A 9 12.490 5.643 17.195 1.00 0.00 H new ATOM 0 HB THR A 9 13.026 8.168 17.362 1.00 0.00 H new ATOM 0 HG1 THR A 9 14.135 7.826 15.221 1.00 0.00 H new ATOM 0 HG21 THR A 9 15.399 8.743 17.012 1.00 0.00 H new ATOM 0 HG22 THR A 9 15.181 7.961 18.595 1.00 0.00 H new ATOM 0 HG23 THR A 9 15.858 7.038 17.232 1.00 0.00 H new ATOM 102 N ASP A 10 14.492 4.276 16.698 1.00 0.00 N ATOM 103 CA ASP A 10 15.490 3.227 16.577 1.00 0.00 C ATOM 104 C ASP A 10 16.507 3.620 15.503 1.00 0.00 C ATOM 105 O ASP A 10 16.174 4.335 14.559 1.00 0.00 O ATOM 106 CB ASP A 10 14.849 1.902 16.159 1.00 0.00 C ATOM 107 CG ASP A 10 13.643 1.475 16.997 1.00 0.00 C ATOM 108 OD1 ASP A 10 13.758 1.553 18.239 1.00 0.00 O ATOM 109 OD2 ASP A 10 12.632 1.079 16.376 1.00 0.00 O ATOM 0 H ASP A 10 13.889 4.388 15.883 1.00 0.00 H new ATOM 0 HA ASP A 10 15.970 3.104 17.548 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.540 1.978 15.117 1.00 0.00 H new ATOM 0 HB3 ASP A 10 15.604 1.118 16.211 1.00 0.00 H new ATOM 114 N PRO A 11 17.759 3.122 15.688 1.00 0.00 N ATOM 115 CA PRO A 11 18.827 3.413 14.747 1.00 0.00 C ATOM 116 C PRO A 11 18.659 2.605 13.459 1.00 0.00 C ATOM 117 O PRO A 11 19.492 1.758 13.140 1.00 0.00 O ATOM 118 CB PRO A 11 20.110 3.082 15.493 1.00 0.00 C ATOM 119 CG PRO A 11 19.700 2.184 16.648 1.00 0.00 C ATOM 120 CD PRO A 11 18.190 2.272 16.795 1.00 0.00 C ATOM 0 HA PRO A 11 18.828 4.453 14.421 1.00 0.00 H new ATOM 0 HB2 PRO A 11 20.823 2.578 14.840 1.00 0.00 H new ATOM 0 HB3 PRO A 11 20.596 3.988 15.856 1.00 0.00 H new ATOM 0 HG2 PRO A 11 20.006 1.155 16.458 1.00 0.00 H new ATOM 0 HG3 PRO A 11 20.192 2.498 17.569 1.00 0.00 H new ATOM 0 HD2 PRO A 11 17.729 1.286 16.740 1.00 0.00 H new ATOM 0 HD3 PRO A 11 17.910 2.702 17.757 1.00 0.00 H new ATOM 128 N ARG A 12 17.575 2.894 12.754 1.00 0.00 N ATOM 129 CA ARG A 12 17.287 2.205 11.508 1.00 0.00 C ATOM 130 C ARG A 12 15.818 2.395 11.123 1.00 0.00 C ATOM 131 O ARG A 12 15.506 3.159 10.211 1.00 0.00 O ATOM 132 CB ARG A 12 17.587 0.709 11.624 1.00 0.00 C ATOM 133 CG ARG A 12 18.796 0.324 10.770 1.00 0.00 C ATOM 134 CD ARG A 12 18.376 0.024 9.329 1.00 0.00 C ATOM 135 NE ARG A 12 19.405 -0.806 8.664 1.00 0.00 N ATOM 136 CZ ARG A 12 20.511 -0.313 8.090 1.00 0.00 C ATOM 137 NH1 ARG A 12 20.739 1.007 8.097 1.00 0.00 N ATOM 138 NH2 ARG A 12 21.391 -1.142 7.510 1.00 0.00 N ATOM 0 H ARG A 12 16.886 3.596 13.022 1.00 0.00 H new ATOM 0 HA ARG A 12 17.927 2.634 10.737 1.00 0.00 H new ATOM 0 HB2 ARG A 12 17.777 0.452 12.666 1.00 0.00 H new ATOM 0 HB3 ARG A 12 16.716 0.134 11.308 1.00 0.00 H new ATOM 0 HG2 ARG A 12 19.525 1.134 10.779 1.00 0.00 H new ATOM 0 HG3 ARG A 12 19.286 -0.550 11.199 1.00 0.00 H new ATOM 0 HD2 ARG A 12 17.418 -0.495 9.321 1.00 0.00 H new ATOM 0 HD3 ARG A 12 18.238 0.956 8.780 1.00 0.00 H new ATOM 0 HE ARG A 12 19.264 -1.816 8.641 1.00 0.00 H new ATOM 0 HH11 ARG A 12 20.071 1.638 8.539 1.00 0.00 H new ATOM 0 HH12 ARG A 12 21.581 1.381 7.660 1.00 0.00 H new ATOM 0 HH21 ARG A 12 21.218 -2.147 7.506 1.00 0.00 H new ATOM 0 HH22 ARG A 12 22.233 -0.767 7.073 1.00 0.00 H new ATOM 152 N SER A 13 14.956 1.688 11.839 1.00 0.00 N ATOM 153 CA SER A 13 13.528 1.770 11.584 1.00 0.00 C ATOM 154 C SER A 13 13.176 0.986 10.318 1.00 0.00 C ATOM 155 O SER A 13 13.252 1.519 9.212 1.00 0.00 O ATOM 156 CB SER A 13 13.075 3.226 11.449 1.00 0.00 C ATOM 157 OG SER A 13 12.013 3.539 12.347 1.00 0.00 O ATOM 0 H SER A 13 15.219 1.056 12.595 1.00 0.00 H new ATOM 0 HA SER A 13 13.004 1.331 12.433 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.919 3.888 11.641 1.00 0.00 H new ATOM 0 HB3 SER A 13 12.751 3.412 10.425 1.00 0.00 H new ATOM 0 HG SER A 13 11.175 3.160 12.008 1.00 0.00 H new ATOM 163 N MET A 14 12.799 -0.267 10.522 1.00 0.00 N ATOM 164 CA MET A 14 12.436 -1.130 9.411 1.00 0.00 C ATOM 165 C MET A 14 10.976 -1.574 9.516 1.00 0.00 C ATOM 166 O MET A 14 10.671 -2.568 10.173 1.00 0.00 O ATOM 167 CB MET A 14 13.344 -2.362 9.403 1.00 0.00 C ATOM 168 CG MET A 14 13.813 -2.687 7.983 1.00 0.00 C ATOM 169 SD MET A 14 15.250 -1.709 7.576 1.00 0.00 S ATOM 170 CE MET A 14 15.358 -2.033 5.823 1.00 0.00 C ATOM 0 H MET A 14 12.737 -0.706 11.441 1.00 0.00 H new ATOM 0 HA MET A 14 12.561 -0.569 8.485 1.00 0.00 H new ATOM 0 HB2 MET A 14 14.208 -2.186 10.044 1.00 0.00 H new ATOM 0 HB3 MET A 14 12.808 -3.216 9.818 1.00 0.00 H new ATOM 0 HG2 MET A 14 14.050 -3.748 7.903 1.00 0.00 H new ATOM 0 HG3 MET A 14 13.012 -2.485 7.272 1.00 0.00 H new ATOM 0 HE1 MET A 14 16.209 -1.495 5.405 1.00 0.00 H new ATOM 0 HE2 MET A 14 15.489 -3.102 5.658 1.00 0.00 H new ATOM 0 HE3 MET A 14 14.442 -1.700 5.334 1.00 0.00 H new ATOM 180 N ASN A 15 10.111 -0.814 8.859 1.00 0.00 N ATOM 181 CA ASN A 15 8.690 -1.117 8.870 1.00 0.00 C ATOM 182 C ASN A 15 7.997 -0.329 7.757 1.00 0.00 C ATOM 183 O ASN A 15 6.871 0.135 7.928 1.00 0.00 O ATOM 184 CB ASN A 15 8.052 -0.715 10.201 1.00 0.00 C ATOM 185 CG ASN A 15 8.061 -1.884 11.188 1.00 0.00 C ATOM 186 OD1 ASN A 15 8.971 -2.052 11.983 1.00 0.00 O ATOM 187 ND2 ASN A 15 7.000 -2.680 11.094 1.00 0.00 N ATOM 0 H ASN A 15 10.367 0.011 8.316 1.00 0.00 H new ATOM 0 HA ASN A 15 8.573 -2.191 8.723 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.593 0.130 10.627 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.027 -0.385 10.032 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.913 -3.488 11.710 1.00 0.00 H new ATOM 0 HD22 ASN A 15 6.273 -2.482 10.406 1.00 0.00 H new ATOM 194 N SER A 16 8.699 -0.202 6.640 1.00 0.00 N ATOM 195 CA SER A 16 8.165 0.522 5.499 1.00 0.00 C ATOM 196 C SER A 16 7.364 -0.427 4.605 1.00 0.00 C ATOM 197 O SER A 16 7.936 -1.137 3.779 1.00 0.00 O ATOM 198 CB SER A 16 9.284 1.189 4.697 1.00 0.00 C ATOM 199 OG SER A 16 10.129 0.233 4.063 1.00 0.00 O ATOM 0 H SER A 16 9.633 -0.588 6.501 1.00 0.00 H new ATOM 0 HA SER A 16 7.504 1.305 5.870 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.848 1.844 3.943 1.00 0.00 H new ATOM 0 HB3 SER A 16 9.880 1.817 5.359 1.00 0.00 H new ATOM 0 HG SER A 16 10.627 0.666 3.339 1.00 0.00 H new ATOM 205 N ARG A 17 6.054 -0.410 4.801 1.00 0.00 N ATOM 206 CA ARG A 17 5.170 -1.260 4.023 1.00 0.00 C ATOM 207 C ARG A 17 3.782 -0.625 3.915 1.00 0.00 C ATOM 208 O ARG A 17 3.186 -0.252 4.924 1.00 0.00 O ATOM 209 CB ARG A 17 5.041 -2.647 4.656 1.00 0.00 C ATOM 210 CG ARG A 17 5.250 -3.747 3.614 1.00 0.00 C ATOM 211 CD ARG A 17 4.975 -5.128 4.213 1.00 0.00 C ATOM 212 NE ARG A 17 6.252 -5.832 4.468 1.00 0.00 N ATOM 213 CZ ARG A 17 7.126 -6.173 3.512 1.00 0.00 C ATOM 214 NH1 ARG A 17 6.867 -5.877 2.231 1.00 0.00 N ATOM 215 NH2 ARG A 17 8.260 -6.810 3.837 1.00 0.00 N ATOM 0 H ARG A 17 5.583 0.179 5.488 1.00 0.00 H new ATOM 0 HA ARG A 17 5.603 -1.366 3.028 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.773 -2.755 5.456 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.056 -2.753 5.110 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.590 -3.577 2.763 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.272 -3.707 3.237 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.415 -5.025 5.142 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.357 -5.713 3.531 1.00 0.00 H new ATOM 0 HE ARG A 17 6.481 -6.073 5.432 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.004 -5.392 1.984 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.533 -6.137 1.503 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.457 -7.035 4.812 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.926 -7.070 3.109 1.00 0.00 H new ATOM 229 N VAL A 18 3.308 -0.522 2.682 1.00 0.00 N ATOM 230 CA VAL A 18 2.001 0.062 2.429 1.00 0.00 C ATOM 231 C VAL A 18 1.096 -0.987 1.780 1.00 0.00 C ATOM 232 O VAL A 18 1.474 -1.612 0.791 1.00 0.00 O ATOM 233 CB VAL A 18 2.148 1.329 1.585 1.00 0.00 C ATOM 234 CG1 VAL A 18 0.801 2.034 1.414 1.00 0.00 C ATOM 235 CG2 VAL A 18 3.189 2.274 2.190 1.00 0.00 C ATOM 0 H VAL A 18 3.805 -0.833 1.847 1.00 0.00 H new ATOM 0 HA VAL A 18 1.530 0.364 3.364 1.00 0.00 H new ATOM 0 HB VAL A 18 2.499 1.033 0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.934 2.932 0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.100 1.363 0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.408 2.310 2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.274 3.167 1.570 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.881 2.559 3.196 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.155 1.771 2.235 1.00 0.00 H new ATOM 245 N PHE A 19 -0.083 -1.148 2.364 1.00 0.00 N ATOM 246 CA PHE A 19 -1.045 -2.110 1.855 1.00 0.00 C ATOM 247 C PHE A 19 -2.154 -1.412 1.067 1.00 0.00 C ATOM 248 O PHE A 19 -3.096 -0.878 1.652 1.00 0.00 O ATOM 249 CB PHE A 19 -1.661 -2.811 3.068 1.00 0.00 C ATOM 250 CG PHE A 19 -2.997 -3.499 2.777 1.00 0.00 C ATOM 251 CD1 PHE A 19 -3.290 -3.907 1.514 1.00 0.00 C ATOM 252 CD2 PHE A 19 -3.890 -3.701 3.782 1.00 0.00 C ATOM 253 CE1 PHE A 19 -4.530 -4.545 1.244 1.00 0.00 C ATOM 254 CE2 PHE A 19 -5.129 -4.340 3.512 1.00 0.00 C ATOM 255 CZ PHE A 19 -5.423 -4.748 2.249 1.00 0.00 C ATOM 0 H PHE A 19 -0.393 -0.628 3.185 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.549 -2.814 1.186 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.956 -3.553 3.443 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.806 -2.079 3.863 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.580 -3.746 0.716 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.657 -3.376 4.785 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.763 -4.869 0.240 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.838 -4.502 4.310 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.366 -5.233 2.044 1.00 0.00 H new ATOM 265 N ILE A 20 -2.007 -1.437 -0.250 1.00 0.00 N ATOM 266 CA ILE A 20 -2.985 -0.813 -1.125 1.00 0.00 C ATOM 267 C ILE A 20 -4.145 -1.783 -1.360 1.00 0.00 C ATOM 268 O ILE A 20 -3.941 -2.893 -1.848 1.00 0.00 O ATOM 269 CB ILE A 20 -2.318 -0.328 -2.414 1.00 0.00 C ATOM 270 CG1 ILE A 20 -1.137 0.595 -2.106 1.00 0.00 C ATOM 271 CG2 ILE A 20 -3.337 0.336 -3.342 1.00 0.00 C ATOM 272 CD1 ILE A 20 0.166 0.022 -2.666 1.00 0.00 C ATOM 0 H ILE A 20 -1.225 -1.880 -0.732 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.404 0.077 -0.655 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.920 -1.196 -2.940 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.319 1.580 -2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.046 0.728 -1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.837 0.672 -4.251 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.116 -0.382 -3.600 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.785 1.192 -2.837 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.990 0.697 -2.434 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.358 -0.953 -2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.080 -0.087 -3.747 1.00 0.00 H new ATOM 284 N GLY A 21 -5.337 -1.328 -1.001 1.00 0.00 N ATOM 285 CA GLY A 21 -6.529 -2.141 -1.167 1.00 0.00 C ATOM 286 C GLY A 21 -7.494 -1.502 -2.169 1.00 0.00 C ATOM 287 O GLY A 21 -7.253 -0.395 -2.648 1.00 0.00 O ATOM 0 H GLY A 21 -5.502 -0.407 -0.596 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.249 -3.137 -1.511 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.027 -2.264 -0.205 1.00 0.00 H new ATOM 291 N ASN A 22 -8.565 -2.227 -2.455 1.00 0.00 N ATOM 292 CA ASN A 22 -9.567 -1.745 -3.390 1.00 0.00 C ATOM 293 C ASN A 22 -8.871 -1.054 -4.565 1.00 0.00 C ATOM 294 O ASN A 22 -9.251 0.049 -4.954 1.00 0.00 O ATOM 295 CB ASN A 22 -10.496 -0.728 -2.726 1.00 0.00 C ATOM 296 CG ASN A 22 -11.895 -0.777 -3.344 1.00 0.00 C ATOM 297 OD1 ASN A 22 -12.555 -1.803 -3.369 1.00 0.00 O ATOM 298 ND2 ASN A 22 -12.308 0.385 -3.841 1.00 0.00 N ATOM 0 H ASN A 22 -8.761 -3.145 -2.056 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.152 -2.600 -3.728 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.560 -0.932 -1.657 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.081 0.274 -2.835 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.228 0.456 -4.276 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.705 1.206 -3.787 1.00 0.00 H new ATOM 305 N LEU A 23 -7.864 -1.731 -5.096 1.00 0.00 N ATOM 306 CA LEU A 23 -7.112 -1.196 -6.218 1.00 0.00 C ATOM 307 C LEU A 23 -7.653 -1.791 -7.520 1.00 0.00 C ATOM 308 O LEU A 23 -7.558 -2.997 -7.742 1.00 0.00 O ATOM 309 CB LEU A 23 -5.612 -1.423 -6.015 1.00 0.00 C ATOM 310 CG LEU A 23 -4.682 -0.447 -6.738 1.00 0.00 C ATOM 311 CD1 LEU A 23 -3.325 -1.093 -7.025 1.00 0.00 C ATOM 312 CD2 LEU A 23 -5.338 0.097 -8.009 1.00 0.00 C ATOM 0 H LEU A 23 -7.551 -2.645 -4.770 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.242 -0.116 -6.283 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.399 -1.374 -4.947 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.370 -2.434 -6.342 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.501 0.403 -6.080 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.683 -0.378 -7.539 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.858 -1.390 -6.086 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.466 -1.972 -7.654 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.656 0.788 -8.503 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.568 -0.729 -8.682 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.258 0.620 -7.748 1.00 0.00 H new ATOM 324 N ASN A 24 -8.210 -0.917 -8.346 1.00 0.00 N ATOM 325 CA ASN A 24 -8.766 -1.341 -9.619 1.00 0.00 C ATOM 326 C ASN A 24 -7.630 -1.772 -10.549 1.00 0.00 C ATOM 327 O ASN A 24 -7.395 -1.143 -11.580 1.00 0.00 O ATOM 328 CB ASN A 24 -9.524 -0.197 -10.297 1.00 0.00 C ATOM 329 CG ASN A 24 -10.462 -0.728 -11.383 1.00 0.00 C ATOM 330 OD1 ASN A 24 -10.732 -1.914 -11.480 1.00 0.00 O ATOM 331 ND2 ASN A 24 -10.942 0.213 -12.191 1.00 0.00 N ATOM 0 H ASN A 24 -8.288 0.082 -8.158 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.452 -2.166 -9.429 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.099 0.354 -9.553 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.814 0.505 -10.736 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.577 -0.040 -12.948 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.675 1.188 -12.054 1.00 0.00 H new ATOM 338 N THR A 25 -6.956 -2.841 -10.152 1.00 0.00 N ATOM 339 CA THR A 25 -5.851 -3.363 -10.937 1.00 0.00 C ATOM 340 C THR A 25 -6.304 -3.656 -12.368 1.00 0.00 C ATOM 341 O THR A 25 -5.479 -3.780 -13.272 1.00 0.00 O ATOM 342 CB THR A 25 -5.295 -4.591 -10.213 1.00 0.00 C ATOM 343 OG1 THR A 25 -6.334 -5.560 -10.326 1.00 0.00 O ATOM 344 CG2 THR A 25 -5.156 -4.369 -8.705 1.00 0.00 C ATOM 0 H THR A 25 -7.154 -3.360 -9.297 1.00 0.00 H new ATOM 0 HA THR A 25 -5.050 -2.630 -11.027 1.00 0.00 H new ATOM 0 HB THR A 25 -4.323 -4.851 -10.633 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.961 -6.403 -10.659 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.758 -5.271 -8.240 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.478 -3.536 -8.521 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.133 -4.143 -8.279 1.00 0.00 H new ATOM 352 N LEU A 26 -7.615 -3.756 -12.530 1.00 0.00 N ATOM 353 CA LEU A 26 -8.189 -4.032 -13.837 1.00 0.00 C ATOM 354 C LEU A 26 -7.870 -2.873 -14.783 1.00 0.00 C ATOM 355 O LEU A 26 -8.011 -3.003 -15.999 1.00 0.00 O ATOM 356 CB LEU A 26 -9.684 -4.331 -13.713 1.00 0.00 C ATOM 357 CG LEU A 26 -10.079 -5.809 -13.768 1.00 0.00 C ATOM 358 CD1 LEU A 26 -11.574 -5.987 -13.494 1.00 0.00 C ATOM 359 CD2 LEU A 26 -9.661 -6.439 -15.098 1.00 0.00 C ATOM 0 H LEU A 26 -8.296 -3.651 -11.778 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.743 -4.928 -14.268 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.041 -3.915 -12.771 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.207 -3.806 -14.512 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.542 -6.336 -12.979 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.829 -7.046 -13.539 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.811 -5.598 -12.504 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.149 -5.444 -14.244 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.953 -7.489 -15.111 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.152 -5.916 -15.919 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.580 -6.362 -15.213 1.00 0.00 H new ATOM 371 N VAL A 27 -7.447 -1.766 -14.191 1.00 0.00 N ATOM 372 CA VAL A 27 -7.107 -0.585 -14.966 1.00 0.00 C ATOM 373 C VAL A 27 -5.778 -0.016 -14.465 1.00 0.00 C ATOM 374 O VAL A 27 -4.890 0.289 -15.260 1.00 0.00 O ATOM 375 CB VAL A 27 -8.252 0.428 -14.906 1.00 0.00 C ATOM 376 CG1 VAL A 27 -7.892 1.707 -15.664 1.00 0.00 C ATOM 377 CG2 VAL A 27 -9.550 -0.180 -15.440 1.00 0.00 C ATOM 0 H VAL A 27 -7.332 -1.662 -13.183 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.974 -0.843 -16.017 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.412 0.692 -13.861 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.723 2.410 -15.606 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.004 2.156 -15.219 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.692 1.467 -16.708 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.348 0.561 -15.386 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.409 -0.487 -16.476 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.820 -1.048 -14.838 1.00 0.00 H new ATOM 387 N VAL A 28 -5.683 0.109 -13.150 1.00 0.00 N ATOM 388 CA VAL A 28 -4.478 0.636 -12.533 1.00 0.00 C ATOM 389 C VAL A 28 -3.370 -0.418 -12.606 1.00 0.00 C ATOM 390 O VAL A 28 -3.596 -1.583 -12.283 1.00 0.00 O ATOM 391 CB VAL A 28 -4.777 1.091 -11.103 1.00 0.00 C ATOM 392 CG1 VAL A 28 -3.754 2.126 -10.632 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.202 1.635 -10.988 1.00 0.00 C ATOM 0 H VAL A 28 -6.421 -0.146 -12.494 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.127 1.516 -13.072 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.697 0.221 -10.451 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.989 2.433 -9.613 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.756 1.689 -10.658 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.787 2.995 -11.289 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.389 1.951 -9.962 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.322 2.487 -11.658 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.912 0.855 -11.262 1.00 0.00 H new ATOM 403 N LYS A 29 -2.198 0.030 -13.032 1.00 0.00 N ATOM 404 CA LYS A 29 -1.056 -0.860 -13.151 1.00 0.00 C ATOM 405 C LYS A 29 -0.087 -0.596 -11.997 1.00 0.00 C ATOM 406 O LYS A 29 -0.360 0.232 -11.129 1.00 0.00 O ATOM 407 CB LYS A 29 -0.416 -0.728 -14.534 1.00 0.00 C ATOM 408 CG LYS A 29 -0.569 -2.022 -15.336 1.00 0.00 C ATOM 409 CD LYS A 29 0.187 -3.173 -14.669 1.00 0.00 C ATOM 410 CE LYS A 29 1.700 -2.988 -14.808 1.00 0.00 C ATOM 411 NZ LYS A 29 2.207 -3.734 -15.981 1.00 0.00 N ATOM 0 H LYS A 29 -2.015 0.997 -13.299 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.373 -1.900 -13.070 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.880 0.096 -15.076 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.641 -0.485 -14.427 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.625 -2.278 -15.423 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.193 -1.873 -16.348 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.081 -3.226 -13.614 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.111 -4.119 -15.121 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.935 -1.929 -14.914 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.200 -3.336 -13.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.235 -3.598 -16.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.000 -4.746 -15.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.743 -3.383 -16.843 1.00 0.00 H new ATOM 425 N LYS A 30 1.026 -1.315 -12.024 1.00 0.00 N ATOM 426 CA LYS A 30 2.037 -1.169 -10.991 1.00 0.00 C ATOM 427 C LYS A 30 2.738 0.181 -11.157 1.00 0.00 C ATOM 428 O LYS A 30 2.939 0.905 -10.183 1.00 0.00 O ATOM 429 CB LYS A 30 2.993 -2.363 -11.004 1.00 0.00 C ATOM 430 CG LYS A 30 3.187 -2.925 -9.594 1.00 0.00 C ATOM 431 CD LYS A 30 2.906 -4.428 -9.559 1.00 0.00 C ATOM 432 CE LYS A 30 4.207 -5.226 -9.445 1.00 0.00 C ATOM 433 NZ LYS A 30 4.408 -6.063 -10.649 1.00 0.00 N ATOM 0 H LYS A 30 1.250 -2.000 -12.745 1.00 0.00 H new ATOM 0 HA LYS A 30 1.575 -1.170 -10.004 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.600 -3.141 -11.659 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.956 -2.058 -11.414 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.207 -2.734 -9.260 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.523 -2.411 -8.899 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.257 -4.661 -8.715 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.372 -4.723 -10.462 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.049 -4.545 -9.324 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.177 -5.857 -8.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.295 -6.598 -10.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.613 -6.726 -10.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.458 -5.454 -11.491 1.00 0.00 H new ATOM 447 N SER A 31 3.091 0.480 -12.399 1.00 0.00 N ATOM 448 CA SER A 31 3.765 1.730 -12.705 1.00 0.00 C ATOM 449 C SER A 31 2.885 2.913 -12.297 1.00 0.00 C ATOM 450 O SER A 31 3.379 4.023 -12.109 1.00 0.00 O ATOM 451 CB SER A 31 4.116 1.817 -14.192 1.00 0.00 C ATOM 452 OG SER A 31 5.516 1.688 -14.419 1.00 0.00 O ATOM 0 H SER A 31 2.923 -0.122 -13.205 1.00 0.00 H new ATOM 0 HA SER A 31 4.695 1.765 -12.137 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.587 1.034 -14.736 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.771 2.771 -14.591 1.00 0.00 H new ATOM 0 HG SER A 31 5.698 1.747 -15.380 1.00 0.00 H new ATOM 458 N ASP A 32 1.596 2.635 -12.172 1.00 0.00 N ATOM 459 CA ASP A 32 0.642 3.662 -11.790 1.00 0.00 C ATOM 460 C ASP A 32 0.664 3.832 -10.270 1.00 0.00 C ATOM 461 O ASP A 32 0.426 4.926 -9.760 1.00 0.00 O ATOM 462 CB ASP A 32 -0.780 3.274 -12.201 1.00 0.00 C ATOM 463 CG ASP A 32 -1.026 3.225 -13.711 1.00 0.00 C ATOM 464 OD1 ASP A 32 -0.018 3.208 -14.450 1.00 0.00 O ATOM 465 OD2 ASP A 32 -2.216 3.207 -14.091 1.00 0.00 O ATOM 0 H ASP A 32 1.190 1.713 -12.329 1.00 0.00 H new ATOM 0 HA ASP A 32 0.923 4.587 -12.293 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.010 2.296 -11.779 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.477 3.985 -11.757 1.00 0.00 H new ATOM 470 N VAL A 33 0.953 2.734 -9.587 1.00 0.00 N ATOM 471 CA VAL A 33 1.009 2.748 -8.136 1.00 0.00 C ATOM 472 C VAL A 33 2.455 2.975 -7.688 1.00 0.00 C ATOM 473 O VAL A 33 2.708 3.271 -6.521 1.00 0.00 O ATOM 474 CB VAL A 33 0.406 1.458 -7.576 1.00 0.00 C ATOM 475 CG1 VAL A 33 0.521 1.415 -6.051 1.00 0.00 C ATOM 476 CG2 VAL A 33 -1.049 1.295 -8.021 1.00 0.00 C ATOM 0 H VAL A 33 1.151 1.828 -10.013 1.00 0.00 H new ATOM 0 HA VAL A 33 0.412 3.569 -7.739 1.00 0.00 H new ATOM 0 HB VAL A 33 0.976 0.620 -7.978 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.085 0.488 -5.679 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.571 1.463 -5.764 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.011 2.264 -5.622 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.454 0.370 -7.609 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.636 2.140 -7.662 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.095 1.258 -9.109 1.00 0.00 H new ATOM 486 N GLU A 34 3.365 2.828 -8.639 1.00 0.00 N ATOM 487 CA GLU A 34 4.778 3.014 -8.358 1.00 0.00 C ATOM 488 C GLU A 34 5.179 4.472 -8.592 1.00 0.00 C ATOM 489 O GLU A 34 5.954 5.037 -7.821 1.00 0.00 O ATOM 490 CB GLU A 34 5.635 2.067 -9.202 1.00 0.00 C ATOM 491 CG GLU A 34 5.986 0.801 -8.419 1.00 0.00 C ATOM 492 CD GLU A 34 6.914 -0.106 -9.231 1.00 0.00 C ATOM 493 OE1 GLU A 34 8.143 0.081 -9.104 1.00 0.00 O ATOM 494 OE2 GLU A 34 6.372 -0.964 -9.960 1.00 0.00 O ATOM 0 H GLU A 34 3.151 2.582 -9.606 1.00 0.00 H new ATOM 0 HA GLU A 34 4.954 2.773 -7.310 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.098 1.799 -10.112 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.550 2.574 -9.509 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.467 1.072 -7.479 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.074 0.261 -8.166 1.00 0.00 H new ATOM 501 N ALA A 35 4.634 5.038 -9.658 1.00 0.00 N ATOM 502 CA ALA A 35 4.925 6.419 -10.003 1.00 0.00 C ATOM 503 C ALA A 35 4.146 7.348 -9.070 1.00 0.00 C ATOM 504 O ALA A 35 4.719 8.258 -8.473 1.00 0.00 O ATOM 505 CB ALA A 35 4.591 6.659 -11.477 1.00 0.00 C ATOM 0 H ALA A 35 3.992 4.565 -10.295 1.00 0.00 H new ATOM 0 HA ALA A 35 5.986 6.632 -9.871 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.809 7.695 -11.736 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.192 5.995 -12.099 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.533 6.458 -11.648 1.00 0.00 H new ATOM 511 N ILE A 36 2.850 7.088 -8.974 1.00 0.00 N ATOM 512 CA ILE A 36 1.986 7.889 -8.125 1.00 0.00 C ATOM 513 C ILE A 36 2.550 7.905 -6.702 1.00 0.00 C ATOM 514 O ILE A 36 2.399 8.891 -5.982 1.00 0.00 O ATOM 515 CB ILE A 36 0.542 7.392 -8.208 1.00 0.00 C ATOM 516 CG1 ILE A 36 -0.025 7.587 -9.616 1.00 0.00 C ATOM 517 CG2 ILE A 36 -0.330 8.059 -7.142 1.00 0.00 C ATOM 518 CD1 ILE A 36 -1.379 6.891 -9.764 1.00 0.00 C ATOM 0 H ILE A 36 2.378 6.333 -9.471 1.00 0.00 H new ATOM 0 HA ILE A 36 1.963 8.922 -8.472 1.00 0.00 H new ATOM 0 HB ILE A 36 0.537 6.321 -8.004 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.135 8.651 -9.823 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.674 7.190 -10.352 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.352 7.688 -7.223 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.063 7.826 -6.152 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.323 9.139 -7.290 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.759 7.046 -10.774 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.261 5.823 -9.580 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.083 7.308 -9.044 1.00 0.00 H new ATOM 530 N PHE A 37 3.187 6.802 -6.340 1.00 0.00 N ATOM 531 CA PHE A 37 3.774 6.676 -5.017 1.00 0.00 C ATOM 532 C PHE A 37 5.242 7.109 -5.025 1.00 0.00 C ATOM 533 O PHE A 37 5.761 7.575 -4.012 1.00 0.00 O ATOM 534 CB PHE A 37 3.692 5.199 -4.629 1.00 0.00 C ATOM 535 CG PHE A 37 2.279 4.724 -4.281 1.00 0.00 C ATOM 536 CD1 PHE A 37 1.273 4.866 -5.185 1.00 0.00 C ATOM 537 CD2 PHE A 37 2.030 4.160 -3.069 1.00 0.00 C ATOM 538 CE1 PHE A 37 -0.038 4.426 -4.862 1.00 0.00 C ATOM 539 CE2 PHE A 37 0.719 3.720 -2.747 1.00 0.00 C ATOM 540 CZ PHE A 37 -0.287 3.862 -3.650 1.00 0.00 C ATOM 0 H PHE A 37 3.310 5.986 -6.940 1.00 0.00 H new ATOM 0 HA PHE A 37 3.239 7.312 -4.311 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.074 4.596 -5.452 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.345 5.022 -3.774 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.471 5.313 -6.148 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.829 4.047 -2.351 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.838 4.539 -5.579 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.521 3.272 -1.784 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.284 3.527 -3.405 1.00 0.00 H new ATOM 550 N SER A 38 5.870 6.938 -6.179 1.00 0.00 N ATOM 551 CA SER A 38 7.267 7.304 -6.332 1.00 0.00 C ATOM 552 C SER A 38 7.494 8.729 -5.822 1.00 0.00 C ATOM 553 O SER A 38 8.594 9.071 -5.394 1.00 0.00 O ATOM 554 CB SER A 38 7.711 7.185 -7.791 1.00 0.00 C ATOM 555 OG SER A 38 8.919 7.898 -8.042 1.00 0.00 O ATOM 0 H SER A 38 5.436 6.551 -7.017 1.00 0.00 H new ATOM 0 HA SER A 38 7.868 6.613 -5.740 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.852 6.134 -8.042 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.924 7.566 -8.442 1.00 0.00 H new ATOM 0 HG SER A 38 9.169 7.796 -8.984 1.00 0.00 H new ATOM 561 N LYS A 39 6.434 9.521 -5.886 1.00 0.00 N ATOM 562 CA LYS A 39 6.503 10.901 -5.437 1.00 0.00 C ATOM 563 C LYS A 39 6.543 10.933 -3.908 1.00 0.00 C ATOM 564 O LYS A 39 7.266 11.736 -3.319 1.00 0.00 O ATOM 565 CB LYS A 39 5.359 11.719 -6.039 1.00 0.00 C ATOM 566 CG LYS A 39 4.036 11.415 -5.332 1.00 0.00 C ATOM 567 CD LYS A 39 2.850 11.961 -6.130 1.00 0.00 C ATOM 568 CE LYS A 39 2.108 13.040 -5.339 1.00 0.00 C ATOM 569 NZ LYS A 39 0.815 12.522 -4.841 1.00 0.00 N ATOM 0 H LYS A 39 5.522 9.233 -6.242 1.00 0.00 H new ATOM 0 HA LYS A 39 7.420 11.371 -5.791 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.584 12.782 -5.955 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.267 11.495 -7.102 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.927 10.338 -5.203 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.042 11.856 -4.335 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.202 12.375 -7.075 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.166 11.148 -6.374 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.721 13.370 -4.501 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.938 13.911 -5.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.192 13.319 -4.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.365 11.944 -5.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.977 11.938 -3.996 1.00 0.00 H new ATOM 583 N TYR A 40 5.758 10.050 -3.308 1.00 0.00 N ATOM 584 CA TYR A 40 5.695 9.968 -1.859 1.00 0.00 C ATOM 585 C TYR A 40 6.979 9.362 -1.288 1.00 0.00 C ATOM 586 O TYR A 40 7.139 9.270 -0.072 1.00 0.00 O ATOM 587 CB TYR A 40 4.522 9.040 -1.540 1.00 0.00 C ATOM 588 CG TYR A 40 3.158 9.734 -1.551 1.00 0.00 C ATOM 589 CD1 TYR A 40 2.964 10.885 -0.815 1.00 0.00 C ATOM 590 CD2 TYR A 40 2.123 9.209 -2.297 1.00 0.00 C ATOM 591 CE1 TYR A 40 1.681 11.539 -0.826 1.00 0.00 C ATOM 592 CE2 TYR A 40 0.840 9.863 -2.308 1.00 0.00 C ATOM 593 CZ TYR A 40 0.682 10.995 -1.572 1.00 0.00 C ATOM 594 OH TYR A 40 -0.530 11.612 -1.582 1.00 0.00 O ATOM 0 H TYR A 40 5.160 9.385 -3.799 1.00 0.00 H new ATOM 0 HA TYR A 40 5.574 10.960 -1.423 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.509 8.225 -2.264 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.683 8.592 -0.559 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.774 11.295 -0.231 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.275 8.308 -2.873 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.516 12.441 -0.255 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.022 9.463 -2.888 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.146 11.113 -2.158 1.00 0.00 H new ATOM 604 N GLY A 41 7.861 8.964 -2.193 1.00 0.00 N ATOM 605 CA GLY A 41 9.126 8.369 -1.795 1.00 0.00 C ATOM 606 C GLY A 41 9.589 7.330 -2.817 1.00 0.00 C ATOM 607 O GLY A 41 8.903 7.078 -3.807 1.00 0.00 O ATOM 0 H GLY A 41 7.725 9.042 -3.201 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.882 9.147 -1.694 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.019 7.900 -0.817 1.00 0.00 H new ATOM 611 N LYS A 42 10.750 6.753 -2.543 1.00 0.00 N ATOM 612 CA LYS A 42 11.313 5.747 -3.427 1.00 0.00 C ATOM 613 C LYS A 42 10.798 4.367 -3.015 1.00 0.00 C ATOM 614 O LYS A 42 10.785 4.033 -1.831 1.00 0.00 O ATOM 615 CB LYS A 42 12.839 5.851 -3.455 1.00 0.00 C ATOM 616 CG LYS A 42 13.456 4.671 -4.209 1.00 0.00 C ATOM 617 CD LYS A 42 14.978 4.806 -4.287 1.00 0.00 C ATOM 618 CE LYS A 42 15.578 3.727 -5.191 1.00 0.00 C ATOM 619 NZ LYS A 42 15.433 2.391 -4.571 1.00 0.00 N ATOM 0 H LYS A 42 11.316 6.963 -1.721 1.00 0.00 H new ATOM 0 HA LYS A 42 10.987 5.916 -4.453 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.135 6.786 -3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.224 5.877 -2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.195 3.739 -3.708 1.00 0.00 H new ATOM 0 HG3 LYS A 42 13.040 4.620 -5.215 1.00 0.00 H new ATOM 0 HD2 LYS A 42 15.240 5.793 -4.669 1.00 0.00 H new ATOM 0 HD3 LYS A 42 15.405 4.727 -3.287 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.081 3.740 -6.161 1.00 0.00 H new ATOM 0 HE3 LYS A 42 16.632 3.939 -5.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 15.919 1.682 -5.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 15.853 2.402 -3.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.424 2.149 -4.501 1.00 0.00 H new ATOM 633 N ILE A 43 10.386 3.601 -4.014 1.00 0.00 N ATOM 634 CA ILE A 43 9.872 2.264 -3.770 1.00 0.00 C ATOM 635 C ILE A 43 10.985 1.242 -4.009 1.00 0.00 C ATOM 636 O ILE A 43 11.725 1.342 -4.987 1.00 0.00 O ATOM 637 CB ILE A 43 8.616 2.012 -4.607 1.00 0.00 C ATOM 638 CG1 ILE A 43 7.491 2.969 -4.209 1.00 0.00 C ATOM 639 CG2 ILE A 43 8.182 0.548 -4.518 1.00 0.00 C ATOM 640 CD1 ILE A 43 6.379 2.976 -5.260 1.00 0.00 C ATOM 0 H ILE A 43 10.398 3.881 -4.995 1.00 0.00 H new ATOM 0 HA ILE A 43 9.561 2.160 -2.730 1.00 0.00 H new ATOM 0 HB ILE A 43 8.855 2.213 -5.651 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.082 2.673 -3.243 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.891 3.976 -4.090 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.287 0.396 -5.122 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.983 -0.092 -4.889 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.966 0.295 -3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.592 3.664 -4.952 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.787 3.296 -6.219 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.965 1.972 -5.358 1.00 0.00 H new ATOM 652 N VAL A 44 11.069 0.283 -3.099 1.00 0.00 N ATOM 653 CA VAL A 44 12.080 -0.756 -3.199 1.00 0.00 C ATOM 654 C VAL A 44 11.404 -2.090 -3.523 1.00 0.00 C ATOM 655 O VAL A 44 12.015 -2.968 -4.131 1.00 0.00 O ATOM 656 CB VAL A 44 12.910 -0.804 -1.914 1.00 0.00 C ATOM 657 CG1 VAL A 44 13.483 0.575 -1.580 1.00 0.00 C ATOM 658 CG2 VAL A 44 12.084 -1.351 -0.748 1.00 0.00 C ATOM 0 H VAL A 44 10.454 0.203 -2.289 1.00 0.00 H new ATOM 0 HA VAL A 44 12.774 -0.537 -4.011 1.00 0.00 H new ATOM 0 HB VAL A 44 13.746 -1.483 -2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.068 0.513 -0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 44 14.122 0.911 -2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 44 12.667 1.285 -1.443 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.697 -1.375 0.153 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.219 -0.708 -0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.746 -2.360 -0.983 1.00 0.00 H new ATOM 668 N GLY A 45 10.152 -2.200 -3.104 1.00 0.00 N ATOM 669 CA GLY A 45 9.387 -3.411 -3.343 1.00 0.00 C ATOM 670 C GLY A 45 7.893 -3.102 -3.462 1.00 0.00 C ATOM 671 O GLY A 45 7.284 -2.591 -2.524 1.00 0.00 O ATOM 0 H GLY A 45 9.648 -1.470 -2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.736 -3.892 -4.257 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.552 -4.116 -2.529 1.00 0.00 H new ATOM 675 N CYS A 46 7.346 -3.424 -4.625 1.00 0.00 N ATOM 676 CA CYS A 46 5.935 -3.187 -4.880 1.00 0.00 C ATOM 677 C CYS A 46 5.333 -4.462 -5.472 1.00 0.00 C ATOM 678 O CYS A 46 6.006 -5.192 -6.197 1.00 0.00 O ATOM 679 CB CYS A 46 5.721 -1.977 -5.791 1.00 0.00 C ATOM 680 SG CYS A 46 6.110 -2.422 -7.523 1.00 0.00 S ATOM 0 H CYS A 46 7.854 -3.847 -5.401 1.00 0.00 H new ATOM 0 HA CYS A 46 5.428 -2.949 -3.945 1.00 0.00 H new ATOM 0 HB2 CYS A 46 4.689 -1.634 -5.718 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.355 -1.151 -5.468 1.00 0.00 H new ATOM 0 HG CYS A 46 6.276 -3.708 -7.614 1.00 0.00 H new ATOM 686 N SER A 47 4.070 -4.691 -5.142 1.00 0.00 N ATOM 687 CA SER A 47 3.369 -5.865 -5.633 1.00 0.00 C ATOM 688 C SER A 47 1.878 -5.560 -5.784 1.00 0.00 C ATOM 689 O SER A 47 1.263 -4.991 -4.884 1.00 0.00 O ATOM 690 CB SER A 47 3.574 -7.060 -4.698 1.00 0.00 C ATOM 691 OG SER A 47 4.892 -7.095 -4.159 1.00 0.00 O ATOM 0 H SER A 47 3.514 -4.083 -4.540 1.00 0.00 H new ATOM 0 HA SER A 47 3.780 -6.125 -6.608 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.851 -7.012 -3.884 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.380 -7.984 -5.243 1.00 0.00 H new ATOM 0 HG SER A 47 4.983 -7.870 -3.567 1.00 0.00 H new ATOM 697 N VAL A 48 1.339 -5.951 -6.930 1.00 0.00 N ATOM 698 CA VAL A 48 -0.068 -5.726 -7.211 1.00 0.00 C ATOM 699 C VAL A 48 -0.762 -7.072 -7.430 1.00 0.00 C ATOM 700 O VAL A 48 -0.393 -7.825 -8.330 1.00 0.00 O ATOM 701 CB VAL A 48 -0.219 -4.775 -8.399 1.00 0.00 C ATOM 702 CG1 VAL A 48 -1.679 -4.687 -8.849 1.00 0.00 C ATOM 703 CG2 VAL A 48 0.336 -3.389 -8.066 1.00 0.00 C ATOM 0 H VAL A 48 1.852 -6.422 -7.675 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.554 -5.244 -6.363 1.00 0.00 H new ATOM 0 HB VAL A 48 0.363 -5.179 -9.227 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.758 -4.004 -9.695 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.028 -5.676 -9.147 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.292 -4.318 -8.026 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.216 -2.732 -8.928 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.206 -2.975 -7.216 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.394 -3.471 -7.817 1.00 0.00 H new ATOM 713 N HIS A 49 -1.754 -7.334 -6.592 1.00 0.00 N ATOM 714 CA HIS A 49 -2.502 -8.576 -6.684 1.00 0.00 C ATOM 715 C HIS A 49 -3.973 -8.269 -6.973 1.00 0.00 C ATOM 716 O HIS A 49 -4.583 -7.443 -6.297 1.00 0.00 O ATOM 717 CB HIS A 49 -2.310 -9.420 -5.422 1.00 0.00 C ATOM 718 CG HIS A 49 -0.923 -9.335 -4.831 1.00 0.00 C ATOM 719 ND1 HIS A 49 0.058 -10.278 -5.083 1.00 0.00 N ATOM 720 CD2 HIS A 49 -0.364 -8.410 -4.000 1.00 0.00 C ATOM 721 CE1 HIS A 49 1.154 -9.926 -4.427 1.00 0.00 C ATOM 722 NE2 HIS A 49 0.890 -8.769 -3.756 1.00 0.00 N ATOM 0 H HIS A 49 -2.057 -6.708 -5.846 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.122 -9.173 -7.513 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.034 -9.102 -4.671 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.531 -10.461 -5.657 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -0.045 -11.103 -5.673 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.858 -7.534 -3.607 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.092 -10.462 -4.424 1.00 0.00 H new ATOM 730 N LYS A 50 -4.499 -8.951 -7.980 1.00 0.00 N ATOM 731 CA LYS A 50 -5.887 -8.762 -8.367 1.00 0.00 C ATOM 732 C LYS A 50 -6.748 -8.620 -7.111 1.00 0.00 C ATOM 733 O LYS A 50 -7.124 -9.617 -6.495 1.00 0.00 O ATOM 734 CB LYS A 50 -6.341 -9.887 -9.300 1.00 0.00 C ATOM 735 CG LYS A 50 -7.811 -9.717 -9.688 1.00 0.00 C ATOM 736 CD LYS A 50 -8.231 -10.768 -10.718 1.00 0.00 C ATOM 737 CE LYS A 50 -9.424 -10.281 -11.543 1.00 0.00 C ATOM 738 NZ LYS A 50 -9.031 -10.086 -12.957 1.00 0.00 N ATOM 0 H LYS A 50 -3.989 -9.635 -8.539 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.001 -7.840 -8.937 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.722 -9.892 -10.197 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.199 -10.850 -8.810 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.437 -9.802 -8.800 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.970 -8.719 -10.096 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.393 -10.990 -11.379 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.490 -11.697 -10.210 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.236 -11.005 -11.482 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.800 -9.344 -11.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.852 -9.755 -13.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.271 -9.378 -13.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.693 -10.987 -13.351 1.00 0.00 H new ATOM 752 N GLY A 51 -7.036 -7.373 -6.767 1.00 0.00 N ATOM 753 CA GLY A 51 -7.846 -7.088 -5.595 1.00 0.00 C ATOM 754 C GLY A 51 -7.179 -6.031 -4.712 1.00 0.00 C ATOM 755 O GLY A 51 -7.858 -5.192 -4.123 1.00 0.00 O ATOM 0 H GLY A 51 -6.723 -6.549 -7.280 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.831 -6.739 -5.905 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.998 -8.003 -5.022 1.00 0.00 H new ATOM 759 N PHE A 52 -5.858 -6.108 -4.648 1.00 0.00 N ATOM 760 CA PHE A 52 -5.092 -5.169 -3.846 1.00 0.00 C ATOM 761 C PHE A 52 -3.647 -5.079 -4.339 1.00 0.00 C ATOM 762 O PHE A 52 -3.309 -5.628 -5.387 1.00 0.00 O ATOM 763 CB PHE A 52 -5.097 -5.698 -2.411 1.00 0.00 C ATOM 764 CG PHE A 52 -4.855 -7.205 -2.303 1.00 0.00 C ATOM 765 CD1 PHE A 52 -3.585 -7.688 -2.246 1.00 0.00 C ATOM 766 CD2 PHE A 52 -5.910 -8.062 -2.263 1.00 0.00 C ATOM 767 CE1 PHE A 52 -3.360 -9.086 -2.146 1.00 0.00 C ATOM 768 CE2 PHE A 52 -5.686 -9.461 -2.162 1.00 0.00 C ATOM 769 CZ PHE A 52 -4.416 -9.943 -2.106 1.00 0.00 C ATOM 0 H PHE A 52 -5.299 -6.806 -5.138 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.533 -4.175 -3.914 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.330 -5.175 -1.839 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.056 -5.460 -1.950 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.747 -7.007 -2.277 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.919 -7.679 -2.308 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.351 -9.469 -2.102 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.524 -10.141 -2.130 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.245 -11.007 -2.030 1.00 0.00 H new ATOM 779 N ALA A 53 -2.832 -4.382 -3.561 1.00 0.00 N ATOM 780 CA ALA A 53 -1.431 -4.213 -3.905 1.00 0.00 C ATOM 781 C ALA A 53 -0.660 -3.741 -2.671 1.00 0.00 C ATOM 782 O ALA A 53 -1.261 -3.342 -1.674 1.00 0.00 O ATOM 783 CB ALA A 53 -1.307 -3.237 -5.078 1.00 0.00 C ATOM 0 H ALA A 53 -3.116 -3.928 -2.693 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.997 -5.161 -4.222 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.256 -3.110 -5.336 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.847 -3.632 -5.939 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.730 -2.273 -4.796 1.00 0.00 H new ATOM 789 N PHE A 54 0.660 -3.802 -2.777 1.00 0.00 N ATOM 790 CA PHE A 54 1.519 -3.386 -1.682 1.00 0.00 C ATOM 791 C PHE A 54 2.716 -2.585 -2.198 1.00 0.00 C ATOM 792 O PHE A 54 3.220 -2.848 -3.288 1.00 0.00 O ATOM 793 CB PHE A 54 2.027 -4.659 -1.003 1.00 0.00 C ATOM 794 CG PHE A 54 1.152 -5.137 0.158 1.00 0.00 C ATOM 795 CD1 PHE A 54 0.005 -5.823 -0.093 1.00 0.00 C ATOM 796 CD2 PHE A 54 1.523 -4.877 1.440 1.00 0.00 C ATOM 797 CE1 PHE A 54 -0.806 -6.267 0.985 1.00 0.00 C ATOM 798 CE2 PHE A 54 0.711 -5.320 2.517 1.00 0.00 C ATOM 799 CZ PHE A 54 -0.436 -6.006 2.267 1.00 0.00 C ATOM 0 H PHE A 54 1.155 -4.133 -3.605 1.00 0.00 H new ATOM 0 HA PHE A 54 0.962 -2.752 -0.992 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.092 -5.454 -1.746 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.038 -4.483 -0.634 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.289 -6.030 -1.111 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.435 -4.334 1.639 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.717 -6.812 0.786 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.004 -5.112 3.535 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.053 -6.344 3.087 1.00 0.00 H new ATOM 809 N VAL A 55 3.136 -1.623 -1.389 1.00 0.00 N ATOM 810 CA VAL A 55 4.264 -0.781 -1.750 1.00 0.00 C ATOM 811 C VAL A 55 5.267 -0.758 -0.596 1.00 0.00 C ATOM 812 O VAL A 55 4.877 -0.754 0.571 1.00 0.00 O ATOM 813 CB VAL A 55 3.772 0.613 -2.143 1.00 0.00 C ATOM 814 CG1 VAL A 55 4.906 1.638 -2.062 1.00 0.00 C ATOM 815 CG2 VAL A 55 3.144 0.600 -3.538 1.00 0.00 C ATOM 0 H VAL A 55 2.715 -1.408 -0.485 1.00 0.00 H new ATOM 0 HA VAL A 55 4.780 -1.186 -2.621 1.00 0.00 H new ATOM 0 HB VAL A 55 3.001 0.909 -1.431 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.529 2.621 -2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.289 1.677 -1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.709 1.347 -2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.803 1.603 -3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.885 0.273 -4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.296 -0.085 -3.549 1.00 0.00 H new ATOM 825 N GLN A 56 6.541 -0.743 -0.961 1.00 0.00 N ATOM 826 CA GLN A 56 7.603 -0.720 0.031 1.00 0.00 C ATOM 827 C GLN A 56 8.556 0.446 -0.240 1.00 0.00 C ATOM 828 O GLN A 56 9.334 0.409 -1.192 1.00 0.00 O ATOM 829 CB GLN A 56 8.358 -2.050 0.056 1.00 0.00 C ATOM 830 CG GLN A 56 9.495 -2.016 1.079 1.00 0.00 C ATOM 831 CD GLN A 56 9.162 -2.881 2.297 1.00 0.00 C ATOM 832 OE1 GLN A 56 8.259 -3.701 2.280 1.00 0.00 O ATOM 833 NE2 GLN A 56 9.940 -2.653 3.351 1.00 0.00 N ATOM 0 H GLN A 56 6.862 -0.746 -1.929 1.00 0.00 H new ATOM 0 HA GLN A 56 7.154 -0.576 1.014 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.669 -2.859 0.300 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.761 -2.262 -0.934 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.416 -2.371 0.617 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.673 -0.988 1.396 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.678 -1.951 3.298 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.798 -3.180 4.213 1.00 0.00 H new ATOM 842 N TYR A 57 8.464 1.454 0.616 1.00 0.00 N ATOM 843 CA TYR A 57 9.308 2.629 0.481 1.00 0.00 C ATOM 844 C TYR A 57 10.674 2.400 1.132 1.00 0.00 C ATOM 845 O TYR A 57 10.871 1.414 1.841 1.00 0.00 O ATOM 846 CB TYR A 57 8.585 3.755 1.224 1.00 0.00 C ATOM 847 CG TYR A 57 7.340 4.276 0.503 1.00 0.00 C ATOM 848 CD1 TYR A 57 6.221 3.475 0.392 1.00 0.00 C ATOM 849 CD2 TYR A 57 7.336 5.546 -0.036 1.00 0.00 C ATOM 850 CE1 TYR A 57 5.050 3.966 -0.286 1.00 0.00 C ATOM 851 CE2 TYR A 57 6.164 6.037 -0.714 1.00 0.00 C ATOM 852 CZ TYR A 57 5.079 5.222 -0.805 1.00 0.00 C ATOM 853 OH TYR A 57 3.972 5.686 -1.446 1.00 0.00 O ATOM 0 H TYR A 57 7.818 1.481 1.405 1.00 0.00 H new ATOM 0 HA TYR A 57 9.476 2.862 -0.570 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.297 3.398 2.213 1.00 0.00 H new ATOM 0 HB3 TYR A 57 9.279 4.582 1.373 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.224 2.481 0.814 1.00 0.00 H new ATOM 0 HD2 TYR A 57 8.212 6.172 0.050 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.168 3.350 -0.380 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.147 7.029 -1.140 1.00 0.00 H new ATOM 0 HH TYR A 57 3.244 5.037 -1.353 1.00 0.00 H new ATOM 863 N VAL A 58 11.583 3.328 0.868 1.00 0.00 N ATOM 864 CA VAL A 58 12.924 3.240 1.418 1.00 0.00 C ATOM 865 C VAL A 58 12.869 3.487 2.927 1.00 0.00 C ATOM 866 O VAL A 58 13.780 3.100 3.657 1.00 0.00 O ATOM 867 CB VAL A 58 13.855 4.210 0.688 1.00 0.00 C ATOM 868 CG1 VAL A 58 14.970 4.701 1.613 1.00 0.00 C ATOM 869 CG2 VAL A 58 14.433 3.569 -0.575 1.00 0.00 C ATOM 0 H VAL A 58 11.416 4.145 0.280 1.00 0.00 H new ATOM 0 HA VAL A 58 13.333 2.241 1.266 1.00 0.00 H new ATOM 0 HB VAL A 58 13.266 5.076 0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.617 5.389 1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 58 14.533 5.214 2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 58 15.556 3.850 1.961 1.00 0.00 H new ATOM 0 HG21 VAL A 58 15.091 4.279 -1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 58 15.000 2.678 -0.304 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.621 3.292 -1.247 1.00 0.00 H new ATOM 879 N ASN A 59 11.790 4.130 3.350 1.00 0.00 N ATOM 880 CA ASN A 59 11.604 4.433 4.759 1.00 0.00 C ATOM 881 C ASN A 59 10.109 4.417 5.086 1.00 0.00 C ATOM 882 O ASN A 59 9.274 4.329 4.187 1.00 0.00 O ATOM 883 CB ASN A 59 12.148 5.822 5.100 1.00 0.00 C ATOM 884 CG ASN A 59 12.947 5.792 6.404 1.00 0.00 C ATOM 885 OD1 ASN A 59 12.489 6.215 7.453 1.00 0.00 O ATOM 886 ND2 ASN A 59 14.165 5.272 6.280 1.00 0.00 N ATOM 0 H ASN A 59 11.036 4.449 2.742 1.00 0.00 H new ATOM 0 HA ASN A 59 12.141 3.683 5.340 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.783 6.177 4.288 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.322 6.528 5.191 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.778 5.209 7.093 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.486 4.936 5.372 1.00 0.00 H new ATOM 893 N GLU A 60 9.817 4.504 6.376 1.00 0.00 N ATOM 894 CA GLU A 60 8.438 4.500 6.833 1.00 0.00 C ATOM 895 C GLU A 60 7.827 5.895 6.686 1.00 0.00 C ATOM 896 O GLU A 60 6.682 6.033 6.260 1.00 0.00 O ATOM 897 CB GLU A 60 8.341 4.008 8.278 1.00 0.00 C ATOM 898 CG GLU A 60 9.197 2.758 8.490 1.00 0.00 C ATOM 899 CD GLU A 60 9.257 2.379 9.971 1.00 0.00 C ATOM 900 OE1 GLU A 60 8.187 2.436 10.615 1.00 0.00 O ATOM 901 OE2 GLU A 60 10.371 2.041 10.426 1.00 0.00 O ATOM 0 H GLU A 60 10.512 4.578 7.119 1.00 0.00 H new ATOM 0 HA GLU A 60 7.871 3.809 6.210 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.667 4.796 8.957 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.302 3.787 8.522 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.785 1.929 7.915 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.205 2.935 8.115 1.00 0.00 H new ATOM 908 N ARG A 61 8.619 6.894 7.048 1.00 0.00 N ATOM 909 CA ARG A 61 8.170 8.273 6.963 1.00 0.00 C ATOM 910 C ARG A 61 7.710 8.595 5.540 1.00 0.00 C ATOM 911 O ARG A 61 6.762 9.355 5.347 1.00 0.00 O ATOM 912 CB ARG A 61 9.286 9.241 7.361 1.00 0.00 C ATOM 913 CG ARG A 61 9.411 9.339 8.883 1.00 0.00 C ATOM 914 CD ARG A 61 9.945 10.709 9.303 1.00 0.00 C ATOM 915 NE ARG A 61 8.819 11.622 9.603 1.00 0.00 N ATOM 916 CZ ARG A 61 8.124 11.606 10.748 1.00 0.00 C ATOM 917 NH1 ARG A 61 8.435 10.724 11.708 1.00 0.00 N ATOM 918 NH2 ARG A 61 7.118 12.471 10.933 1.00 0.00 N ATOM 0 H ARG A 61 9.569 6.776 7.401 1.00 0.00 H new ATOM 0 HA ARG A 61 7.336 8.393 7.654 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.232 8.905 6.936 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.082 10.228 6.945 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.438 9.168 9.343 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.078 8.558 9.248 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.584 10.606 10.180 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.561 11.128 8.507 1.00 0.00 H new ATOM 0 HE ARG A 61 8.556 12.306 8.894 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.201 10.065 11.567 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.906 10.712 12.580 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.881 13.142 10.202 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.589 12.459 11.805 1.00 0.00 H new ATOM 932 N ASN A 62 8.401 7.999 4.579 1.00 0.00 N ATOM 933 CA ASN A 62 8.075 8.212 3.180 1.00 0.00 C ATOM 934 C ASN A 62 6.861 7.359 2.808 1.00 0.00 C ATOM 935 O ASN A 62 5.996 7.799 2.053 1.00 0.00 O ATOM 936 CB ASN A 62 9.238 7.800 2.274 1.00 0.00 C ATOM 937 CG ASN A 62 10.327 8.874 2.257 1.00 0.00 C ATOM 938 OD1 ASN A 62 10.123 10.008 2.658 1.00 0.00 O ATOM 939 ND2 ASN A 62 11.492 8.455 1.772 1.00 0.00 N ATOM 0 H ASN A 62 9.186 7.368 4.743 1.00 0.00 H new ATOM 0 HA ASN A 62 7.867 9.273 3.040 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.658 6.856 2.622 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.872 7.632 1.261 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.283 9.097 1.719 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.595 7.492 1.453 1.00 0.00 H new ATOM 946 N ALA A 63 6.835 6.152 3.355 1.00 0.00 N ATOM 947 CA ALA A 63 5.741 5.233 3.091 1.00 0.00 C ATOM 948 C ALA A 63 4.457 5.784 3.713 1.00 0.00 C ATOM 949 O ALA A 63 3.485 6.050 3.006 1.00 0.00 O ATOM 950 CB ALA A 63 6.100 3.845 3.626 1.00 0.00 C ATOM 0 H ALA A 63 7.555 5.789 3.980 1.00 0.00 H new ATOM 0 HA ALA A 63 5.572 5.135 2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.279 3.155 3.428 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.003 3.487 3.131 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.274 3.903 4.700 1.00 0.00 H new ATOM 956 N ARG A 64 4.493 5.939 5.028 1.00 0.00 N ATOM 957 CA ARG A 64 3.343 6.453 5.753 1.00 0.00 C ATOM 958 C ARG A 64 2.738 7.646 5.010 1.00 0.00 C ATOM 959 O ARG A 64 1.520 7.816 4.991 1.00 0.00 O ATOM 960 CB ARG A 64 3.733 6.886 7.168 1.00 0.00 C ATOM 961 CG ARG A 64 2.594 7.657 7.838 1.00 0.00 C ATOM 962 CD ARG A 64 2.960 8.034 9.276 1.00 0.00 C ATOM 963 NE ARG A 64 1.932 8.938 9.838 1.00 0.00 N ATOM 964 CZ ARG A 64 0.783 8.521 10.388 1.00 0.00 C ATOM 965 NH1 ARG A 64 0.509 7.211 10.452 1.00 0.00 N ATOM 966 NH2 ARG A 64 -0.091 9.413 10.873 1.00 0.00 N ATOM 0 H ARG A 64 5.300 5.718 5.611 1.00 0.00 H new ATOM 0 HA ARG A 64 2.607 5.652 5.821 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.984 6.009 7.765 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.626 7.510 7.128 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.374 8.559 7.266 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.689 7.050 7.836 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.040 7.135 9.888 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.935 8.521 9.296 1.00 0.00 H new ATOM 0 HE ARG A 64 2.109 9.942 9.805 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.175 6.532 10.082 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.365 6.893 10.870 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.118 10.410 10.824 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.965 9.095 11.291 1.00 0.00 H new ATOM 980 N ALA A 65 3.616 8.441 4.418 1.00 0.00 N ATOM 981 CA ALA A 65 3.183 9.613 3.676 1.00 0.00 C ATOM 982 C ALA A 65 2.053 9.219 2.723 1.00 0.00 C ATOM 983 O ALA A 65 0.923 9.683 2.869 1.00 0.00 O ATOM 984 CB ALA A 65 4.379 10.223 2.942 1.00 0.00 C ATOM 0 H ALA A 65 4.626 8.297 4.437 1.00 0.00 H new ATOM 0 HA ALA A 65 2.793 10.374 4.353 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.054 11.102 2.385 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.141 10.513 3.666 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.795 9.489 2.251 1.00 0.00 H new ATOM 990 N ALA A 66 2.398 8.369 1.767 1.00 0.00 N ATOM 991 CA ALA A 66 1.426 7.907 0.790 1.00 0.00 C ATOM 992 C ALA A 66 0.218 7.315 1.519 1.00 0.00 C ATOM 993 O ALA A 66 -0.925 7.564 1.138 1.00 0.00 O ATOM 994 CB ALA A 66 2.088 6.902 -0.153 1.00 0.00 C ATOM 0 H ALA A 66 3.337 7.988 1.648 1.00 0.00 H new ATOM 0 HA ALA A 66 1.069 8.738 0.182 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.359 6.556 -0.886 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.921 7.381 -0.668 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.457 6.052 0.422 1.00 0.00 H new ATOM 1000 N VAL A 67 0.513 6.542 2.554 1.00 0.00 N ATOM 1001 CA VAL A 67 -0.535 5.912 3.339 1.00 0.00 C ATOM 1002 C VAL A 67 -1.514 6.982 3.828 1.00 0.00 C ATOM 1003 O VAL A 67 -2.699 6.707 4.010 1.00 0.00 O ATOM 1004 CB VAL A 67 0.082 5.101 4.480 1.00 0.00 C ATOM 1005 CG1 VAL A 67 -0.999 4.574 5.426 1.00 0.00 C ATOM 1006 CG2 VAL A 67 0.941 3.956 3.938 1.00 0.00 C ATOM 0 H VAL A 67 1.462 6.338 2.867 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.100 5.209 2.727 1.00 0.00 H new ATOM 0 HB VAL A 67 0.731 5.766 5.050 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.533 4.001 6.228 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.550 5.412 5.852 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.685 3.932 4.873 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.368 3.396 4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.323 3.293 3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.745 4.363 3.325 1.00 0.00 H new ATOM 1016 N ALA A 68 -0.981 8.178 4.026 1.00 0.00 N ATOM 1017 CA ALA A 68 -1.793 9.291 4.490 1.00 0.00 C ATOM 1018 C ALA A 68 -2.297 10.087 3.284 1.00 0.00 C ATOM 1019 O ALA A 68 -3.407 10.616 3.305 1.00 0.00 O ATOM 1020 CB ALA A 68 -0.976 10.151 5.457 1.00 0.00 C ATOM 0 H ALA A 68 0.003 8.401 3.874 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.666 8.929 5.034 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.585 10.986 5.805 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.668 9.546 6.310 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.093 10.534 4.946 1.00 0.00 H new ATOM 1026 N GLY A 69 -1.456 10.147 2.262 1.00 0.00 N ATOM 1027 CA GLY A 69 -1.802 10.869 1.050 1.00 0.00 C ATOM 1028 C GLY A 69 -2.636 9.996 0.111 1.00 0.00 C ATOM 1029 O GLY A 69 -3.847 10.180 -0.001 1.00 0.00 O ATOM 0 H GLY A 69 -0.536 9.707 2.249 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.360 11.770 1.306 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.893 11.190 0.542 1.00 0.00 H new ATOM 1033 N GLU A 70 -1.955 9.065 -0.541 1.00 0.00 N ATOM 1034 CA GLU A 70 -2.619 8.163 -1.467 1.00 0.00 C ATOM 1035 C GLU A 70 -3.988 7.753 -0.919 1.00 0.00 C ATOM 1036 O GLU A 70 -5.019 8.100 -1.493 1.00 0.00 O ATOM 1037 CB GLU A 70 -1.752 6.935 -1.752 1.00 0.00 C ATOM 1038 CG GLU A 70 -1.304 6.908 -3.215 1.00 0.00 C ATOM 1039 CD GLU A 70 -2.378 6.281 -4.106 1.00 0.00 C ATOM 1040 OE1 GLU A 70 -2.743 5.120 -3.823 1.00 0.00 O ATOM 1041 OE2 GLU A 70 -2.810 6.977 -5.050 1.00 0.00 O ATOM 0 H GLU A 70 -0.950 8.916 -0.446 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.770 8.688 -2.410 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.878 6.943 -1.100 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.312 6.029 -1.523 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.093 7.922 -3.553 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.376 6.343 -3.305 1.00 0.00 H new ATOM 1048 N ASP A 71 -3.953 7.020 0.184 1.00 0.00 N ATOM 1049 CA ASP A 71 -5.177 6.559 0.815 1.00 0.00 C ATOM 1050 C ASP A 71 -6.229 7.668 0.749 1.00 0.00 C ATOM 1051 O ASP A 71 -6.127 8.668 1.459 1.00 0.00 O ATOM 1052 CB ASP A 71 -4.943 6.216 2.287 1.00 0.00 C ATOM 1053 CG ASP A 71 -6.202 5.844 3.073 1.00 0.00 C ATOM 1054 OD1 ASP A 71 -6.675 4.703 2.881 1.00 0.00 O ATOM 1055 OD2 ASP A 71 -6.663 6.710 3.848 1.00 0.00 O ATOM 0 H ASP A 71 -3.096 6.734 0.657 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.513 5.667 0.286 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.239 5.386 2.343 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.469 7.069 2.772 1.00 0.00 H new ATOM 1060 N GLY A 72 -7.215 7.455 -0.109 1.00 0.00 N ATOM 1061 CA GLY A 72 -8.284 8.425 -0.276 1.00 0.00 C ATOM 1062 C GLY A 72 -8.236 9.059 -1.668 1.00 0.00 C ATOM 1063 O GLY A 72 -8.809 10.126 -1.888 1.00 0.00 O ATOM 0 H GLY A 72 -7.296 6.625 -0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.248 7.939 -0.127 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.198 9.201 0.484 1.00 0.00 H new ATOM 1067 N ARG A 73 -7.548 8.377 -2.571 1.00 0.00 N ATOM 1068 CA ARG A 73 -7.418 8.860 -3.935 1.00 0.00 C ATOM 1069 C ARG A 73 -8.396 8.125 -4.854 1.00 0.00 C ATOM 1070 O ARG A 73 -8.532 6.906 -4.773 1.00 0.00 O ATOM 1071 CB ARG A 73 -5.993 8.662 -4.456 1.00 0.00 C ATOM 1072 CG ARG A 73 -5.547 9.858 -5.300 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.316 9.508 -6.139 1.00 0.00 C ATOM 1074 NE ARG A 73 -3.705 10.743 -6.680 1.00 0.00 N ATOM 1075 CZ ARG A 73 -4.093 11.337 -7.816 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -5.093 10.814 -8.538 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -3.481 12.455 -8.231 1.00 0.00 N ATOM 0 H ARG A 73 -7.074 7.493 -2.385 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.647 9.926 -3.932 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.310 8.530 -3.617 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.944 7.752 -5.054 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.361 10.170 -5.954 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.320 10.703 -4.649 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.590 8.971 -5.529 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.599 8.844 -6.956 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.941 11.168 -6.155 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.559 9.963 -8.223 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.388 11.267 -9.403 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.720 12.854 -7.682 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.777 12.907 -9.096 1.00 0.00 H new ATOM 1091 N MET A 74 -9.052 8.899 -5.707 1.00 0.00 N ATOM 1092 CA MET A 74 -10.013 8.337 -6.640 1.00 0.00 C ATOM 1093 C MET A 74 -9.325 7.879 -7.928 1.00 0.00 C ATOM 1094 O MET A 74 -9.165 8.663 -8.863 1.00 0.00 O ATOM 1095 CB MET A 74 -11.075 9.387 -6.974 1.00 0.00 C ATOM 1096 CG MET A 74 -12.484 8.826 -6.772 1.00 0.00 C ATOM 1097 SD MET A 74 -13.691 10.127 -6.957 1.00 0.00 S ATOM 1098 CE MET A 74 -15.191 9.200 -6.678 1.00 0.00 C ATOM 0 H MET A 74 -8.936 9.910 -5.771 1.00 0.00 H new ATOM 0 HA MET A 74 -10.480 7.470 -6.172 1.00 0.00 H new ATOM 0 HB2 MET A 74 -10.935 10.264 -6.342 1.00 0.00 H new ATOM 0 HB3 MET A 74 -10.955 9.715 -8.007 1.00 0.00 H new ATOM 0 HG2 MET A 74 -12.676 8.034 -7.496 1.00 0.00 H new ATOM 0 HG3 MET A 74 -12.568 8.379 -5.781 1.00 0.00 H new ATOM 0 HE1 MET A 74 -16.012 9.888 -6.475 1.00 0.00 H new ATOM 0 HE2 MET A 74 -15.424 8.609 -7.564 1.00 0.00 H new ATOM 0 HE3 MET A 74 -15.055 8.536 -5.824 1.00 0.00 H new ATOM 1108 N ILE A 75 -8.935 6.613 -7.935 1.00 0.00 N ATOM 1109 CA ILE A 75 -8.267 6.042 -9.092 1.00 0.00 C ATOM 1110 C ILE A 75 -9.274 5.227 -9.905 1.00 0.00 C ATOM 1111 O ILE A 75 -9.846 4.260 -9.403 1.00 0.00 O ATOM 1112 CB ILE A 75 -7.036 5.244 -8.660 1.00 0.00 C ATOM 1113 CG1 ILE A 75 -5.864 5.483 -9.615 1.00 0.00 C ATOM 1114 CG2 ILE A 75 -7.367 3.757 -8.521 1.00 0.00 C ATOM 1115 CD1 ILE A 75 -5.041 6.697 -9.179 1.00 0.00 C ATOM 0 H ILE A 75 -9.069 5.966 -7.158 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.893 6.831 -9.745 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.728 5.599 -7.676 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.227 4.599 -9.644 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.240 5.638 -10.626 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -6.474 3.213 -8.213 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -8.148 3.627 -7.772 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.715 3.371 -9.479 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.215 6.845 -9.874 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.675 7.584 -9.175 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.646 6.528 -8.177 1.00 0.00 H new ATOM 1127 N ALA A 76 -9.461 5.646 -11.148 1.00 0.00 N ATOM 1128 CA ALA A 76 -10.389 4.967 -12.036 1.00 0.00 C ATOM 1129 C ALA A 76 -11.821 5.360 -11.668 1.00 0.00 C ATOM 1130 O ALA A 76 -12.778 4.800 -12.199 1.00 0.00 O ATOM 1131 CB ALA A 76 -10.160 3.456 -11.956 1.00 0.00 C ATOM 0 H ALA A 76 -8.985 6.448 -11.561 1.00 0.00 H new ATOM 0 HA ALA A 76 -10.220 5.268 -13.070 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -10.856 2.947 -12.622 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.137 3.227 -12.256 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.323 3.117 -10.933 1.00 0.00 H new ATOM 1137 N GLY A 77 -11.922 6.320 -10.760 1.00 0.00 N ATOM 1138 CA GLY A 77 -13.221 6.794 -10.314 1.00 0.00 C ATOM 1139 C GLY A 77 -13.619 6.139 -8.990 1.00 0.00 C ATOM 1140 O GLY A 77 -14.732 6.336 -8.505 1.00 0.00 O ATOM 0 H GLY A 77 -11.126 6.782 -10.321 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.195 7.877 -10.195 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.972 6.575 -11.073 1.00 0.00 H new ATOM 1144 N GLN A 78 -12.687 5.374 -8.441 1.00 0.00 N ATOM 1145 CA GLN A 78 -12.926 4.689 -7.182 1.00 0.00 C ATOM 1146 C GLN A 78 -11.827 5.032 -6.174 1.00 0.00 C ATOM 1147 O GLN A 78 -10.682 5.268 -6.556 1.00 0.00 O ATOM 1148 CB GLN A 78 -13.026 3.177 -7.391 1.00 0.00 C ATOM 1149 CG GLN A 78 -14.072 2.839 -8.456 1.00 0.00 C ATOM 1150 CD GLN A 78 -13.448 2.039 -9.602 1.00 0.00 C ATOM 1151 OE1 GLN A 78 -13.208 2.543 -10.687 1.00 0.00 O ATOM 1152 NE2 GLN A 78 -13.200 0.767 -9.302 1.00 0.00 N ATOM 0 H GLN A 78 -11.764 5.213 -8.845 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.880 5.031 -6.780 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -12.055 2.783 -7.691 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -13.289 2.693 -6.451 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.882 2.265 -8.006 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -14.510 3.758 -8.845 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -13.425 0.409 -8.374 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -12.784 0.150 -10.000 1.00 0.00 H new ATOM 1161 N VAL A 79 -12.214 5.047 -4.907 1.00 0.00 N ATOM 1162 CA VAL A 79 -11.276 5.357 -3.842 1.00 0.00 C ATOM 1163 C VAL A 79 -10.413 4.126 -3.555 1.00 0.00 C ATOM 1164 O VAL A 79 -10.869 2.994 -3.709 1.00 0.00 O ATOM 1165 CB VAL A 79 -12.031 5.859 -2.609 1.00 0.00 C ATOM 1166 CG1 VAL A 79 -11.062 6.202 -1.476 1.00 0.00 C ATOM 1167 CG2 VAL A 79 -12.915 7.058 -2.958 1.00 0.00 C ATOM 0 H VAL A 79 -13.165 4.849 -4.594 1.00 0.00 H new ATOM 0 HA VAL A 79 -10.605 6.161 -4.145 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.680 5.055 -2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -11.624 6.556 -0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.495 5.313 -1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.376 6.982 -1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -13.440 7.395 -2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -12.295 7.868 -3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -13.641 6.766 -3.717 1.00 0.00 H new ATOM 1177 N LEU A 80 -9.182 4.390 -3.142 1.00 0.00 N ATOM 1178 CA LEU A 80 -8.251 3.318 -2.832 1.00 0.00 C ATOM 1179 C LEU A 80 -8.087 3.215 -1.314 1.00 0.00 C ATOM 1180 O LEU A 80 -7.805 4.209 -0.647 1.00 0.00 O ATOM 1181 CB LEU A 80 -6.932 3.520 -3.581 1.00 0.00 C ATOM 1182 CG LEU A 80 -7.033 3.600 -5.105 1.00 0.00 C ATOM 1183 CD1 LEU A 80 -5.666 3.888 -5.730 1.00 0.00 C ATOM 1184 CD2 LEU A 80 -7.671 2.335 -5.680 1.00 0.00 C ATOM 0 H LEU A 80 -8.808 5.330 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.643 2.361 -3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.468 4.437 -3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.261 2.700 -3.323 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.687 4.434 -5.361 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.765 3.940 -6.814 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.287 4.839 -5.354 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.971 3.091 -5.467 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.731 2.419 -6.765 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.064 1.469 -5.416 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.674 2.214 -5.270 1.00 0.00 H new ATOM 1196 N ASP A 81 -8.269 2.002 -0.813 1.00 0.00 N ATOM 1197 CA ASP A 81 -8.144 1.755 0.614 1.00 0.00 C ATOM 1198 C ASP A 81 -6.715 1.309 0.927 1.00 0.00 C ATOM 1199 O ASP A 81 -6.363 0.150 0.716 1.00 0.00 O ATOM 1200 CB ASP A 81 -9.096 0.646 1.067 1.00 0.00 C ATOM 1201 CG ASP A 81 -9.125 0.395 2.575 1.00 0.00 C ATOM 1202 OD1 ASP A 81 -8.209 -0.310 3.051 1.00 0.00 O ATOM 1203 OD2 ASP A 81 -10.063 0.914 3.219 1.00 0.00 O ATOM 0 H ASP A 81 -8.502 1.180 -1.369 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.391 2.678 1.139 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -10.104 0.896 0.736 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.816 -0.280 0.565 1.00 0.00 H new ATOM 1208 N ILE A 82 -5.930 2.253 1.425 1.00 0.00 N ATOM 1209 CA ILE A 82 -4.547 1.971 1.769 1.00 0.00 C ATOM 1210 C ILE A 82 -4.357 2.138 3.279 1.00 0.00 C ATOM 1211 O ILE A 82 -5.083 2.897 3.919 1.00 0.00 O ATOM 1212 CB ILE A 82 -3.600 2.834 0.932 1.00 0.00 C ATOM 1213 CG1 ILE A 82 -4.149 3.037 -0.482 1.00 0.00 C ATOM 1214 CG2 ILE A 82 -2.188 2.244 0.919 1.00 0.00 C ATOM 1215 CD1 ILE A 82 -3.137 3.771 -1.363 1.00 0.00 C ATOM 0 H ILE A 82 -6.225 3.214 1.598 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.298 0.938 1.528 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.534 3.818 1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.389 2.070 -0.925 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -5.078 3.606 -0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.535 2.876 0.317 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.805 2.193 1.938 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.216 1.242 0.492 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.552 3.902 -2.362 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.918 4.747 -0.930 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.218 3.188 -1.426 1.00 0.00 H new ATOM 1227 N ASN A 83 -3.378 1.416 3.803 1.00 0.00 N ATOM 1228 CA ASN A 83 -3.084 1.474 5.225 1.00 0.00 C ATOM 1229 C ASN A 83 -1.708 0.856 5.482 1.00 0.00 C ATOM 1230 O ASN A 83 -1.342 -0.136 4.854 1.00 0.00 O ATOM 1231 CB ASN A 83 -4.115 0.685 6.033 1.00 0.00 C ATOM 1232 CG ASN A 83 -4.042 -0.808 5.707 1.00 0.00 C ATOM 1233 OD1 ASN A 83 -4.015 -1.219 4.558 1.00 0.00 O ATOM 1234 ND2 ASN A 83 -4.011 -1.595 6.779 1.00 0.00 N ATOM 0 H ASN A 83 -2.778 0.788 3.269 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.109 2.519 5.532 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.941 0.837 7.098 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.116 1.059 5.817 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.962 -2.608 6.667 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.037 -1.186 7.713 1.00 0.00 H new ATOM 1241 N LEU A 84 -0.983 1.468 6.407 1.00 0.00 N ATOM 1242 CA LEU A 84 0.344 0.991 6.755 1.00 0.00 C ATOM 1243 C LEU A 84 0.234 -0.405 7.371 1.00 0.00 C ATOM 1244 O LEU A 84 -0.447 -0.591 8.379 1.00 0.00 O ATOM 1245 CB LEU A 84 1.060 2.004 7.651 1.00 0.00 C ATOM 1246 CG LEU A 84 2.269 2.709 7.033 1.00 0.00 C ATOM 1247 CD1 LEU A 84 2.753 3.853 7.927 1.00 0.00 C ATOM 1248 CD2 LEU A 84 3.387 1.712 6.723 1.00 0.00 C ATOM 0 H LEU A 84 -1.290 2.291 6.926 1.00 0.00 H new ATOM 0 HA LEU A 84 0.962 0.898 5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.339 2.762 7.956 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.387 1.492 8.556 1.00 0.00 H new ATOM 0 HG LEU A 84 1.959 3.149 6.085 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.613 4.337 7.465 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.951 4.581 8.053 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.040 3.457 8.901 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.234 2.240 6.285 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.702 1.221 7.644 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.022 0.964 6.019 1.00 0.00 H new ATOM 1260 N ALA A 85 0.913 -1.351 6.740 1.00 0.00 N ATOM 1261 CA ALA A 85 0.900 -2.725 7.214 1.00 0.00 C ATOM 1262 C ALA A 85 1.468 -2.775 8.634 1.00 0.00 C ATOM 1263 O ALA A 85 2.658 -3.022 8.822 1.00 0.00 O ATOM 1264 CB ALA A 85 1.684 -3.608 6.241 1.00 0.00 C ATOM 0 H ALA A 85 1.476 -1.194 5.904 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.120 -3.108 7.253 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.674 -4.638 6.596 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.223 -3.560 5.254 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.713 -3.255 6.178 1.00 0.00 H new ATOM 1270 N ALA A 86 0.589 -2.538 9.596 1.00 0.00 N ATOM 1271 CA ALA A 86 0.988 -2.553 10.994 1.00 0.00 C ATOM 1272 C ALA A 86 -0.241 -2.309 11.872 1.00 0.00 C ATOM 1273 O ALA A 86 -0.558 -3.121 12.741 1.00 0.00 O ATOM 1274 CB ALA A 86 2.085 -1.512 11.223 1.00 0.00 C ATOM 0 H ALA A 86 -0.398 -2.335 9.436 1.00 0.00 H new ATOM 0 HA ALA A 86 1.400 -3.525 11.266 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.384 -1.523 12.271 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.946 -1.747 10.597 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.708 -0.523 10.964 1.00 0.00 H new ATOM 1280 N GLU A 87 -0.899 -1.188 11.617 1.00 0.00 N ATOM 1281 CA GLU A 87 -2.085 -0.827 12.374 1.00 0.00 C ATOM 1282 C GLU A 87 -3.332 -0.944 11.495 1.00 0.00 C ATOM 1283 O GLU A 87 -3.543 -0.128 10.599 1.00 0.00 O ATOM 1284 CB GLU A 87 -1.956 0.582 12.957 1.00 0.00 C ATOM 1285 CG GLU A 87 -1.665 0.529 14.458 1.00 0.00 C ATOM 1286 CD GLU A 87 -2.032 1.851 15.134 1.00 0.00 C ATOM 1287 OE1 GLU A 87 -1.615 2.899 14.596 1.00 0.00 O ATOM 1288 OE2 GLU A 87 -2.722 1.784 16.175 1.00 0.00 O ATOM 0 H GLU A 87 -0.633 -0.517 10.896 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.185 -1.522 13.208 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.156 1.119 12.447 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.877 1.138 12.781 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.229 -0.285 14.913 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.609 0.314 14.620 1.00 0.00 H new ATOM 1295 N PRO A 88 -4.146 -1.993 11.788 1.00 0.00 N ATOM 1296 CA PRO A 88 -5.366 -2.227 11.035 1.00 0.00 C ATOM 1297 C PRO A 88 -6.455 -1.227 11.429 1.00 0.00 C ATOM 1298 O PRO A 88 -7.506 -1.167 10.794 1.00 0.00 O ATOM 1299 CB PRO A 88 -5.745 -3.668 11.338 1.00 0.00 C ATOM 1300 CG PRO A 88 -4.991 -4.039 12.605 1.00 0.00 C ATOM 1301 CD PRO A 88 -3.927 -2.980 12.842 1.00 0.00 C ATOM 0 HA PRO A 88 -5.233 -2.081 9.963 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.821 -3.767 11.481 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.471 -4.326 10.513 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.673 -4.091 13.454 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -4.534 -5.023 12.503 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.027 -2.532 13.831 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.925 -3.405 12.784 1.00 0.00 H new ATOM 1309 N LYS A 89 -6.165 -0.467 12.475 1.00 0.00 N ATOM 1310 CA LYS A 89 -7.106 0.527 12.962 1.00 0.00 C ATOM 1311 C LYS A 89 -8.513 -0.072 12.974 1.00 0.00 C ATOM 1312 O LYS A 89 -9.458 0.542 12.480 1.00 0.00 O ATOM 1313 CB LYS A 89 -6.993 1.816 12.145 1.00 0.00 C ATOM 1314 CG LYS A 89 -5.635 2.486 12.363 1.00 0.00 C ATOM 1315 CD LYS A 89 -5.792 3.998 12.539 1.00 0.00 C ATOM 1316 CE LYS A 89 -4.857 4.760 11.597 1.00 0.00 C ATOM 1317 NZ LYS A 89 -5.562 5.908 10.984 1.00 0.00 N ATOM 0 H LYS A 89 -5.291 -0.520 12.999 1.00 0.00 H new ATOM 0 HA LYS A 89 -6.869 0.805 13.989 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.127 1.593 11.087 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.791 2.502 12.429 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -5.153 2.062 13.244 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -4.984 2.281 11.514 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.825 4.285 12.343 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -5.576 4.272 13.572 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -3.985 5.113 12.148 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -4.492 4.091 10.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -4.913 6.414 10.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.380 5.564 10.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.888 6.554 11.731 1.00 0.00 H new ATOM 1331 N VAL A 90 -8.609 -1.264 13.544 1.00 0.00 N ATOM 1332 CA VAL A 90 -9.886 -1.954 13.627 1.00 0.00 C ATOM 1333 C VAL A 90 -10.441 -1.820 15.046 1.00 0.00 C ATOM 1334 O VAL A 90 -9.765 -2.161 16.016 1.00 0.00 O ATOM 1335 CB VAL A 90 -9.725 -3.409 13.182 1.00 0.00 C ATOM 1336 CG1 VAL A 90 -8.969 -4.223 14.234 1.00 0.00 C ATOM 1337 CG2 VAL A 90 -11.083 -4.040 12.871 1.00 0.00 C ATOM 0 H VAL A 90 -7.824 -1.770 13.953 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.610 -1.500 12.950 1.00 0.00 H new ATOM 0 HB VAL A 90 -9.135 -3.417 12.266 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.868 -5.253 13.893 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.979 -3.792 14.385 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.520 -4.204 15.174 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.940 -5.074 12.557 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.709 -4.015 13.763 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.569 -3.482 12.071 1.00 0.00 H new ATOM 1347 N ASN A 91 -11.667 -1.324 15.124 1.00 0.00 N ATOM 1348 CA ASN A 91 -12.320 -1.141 16.409 1.00 0.00 C ATOM 1349 C ASN A 91 -11.382 -0.384 17.350 1.00 0.00 C ATOM 1350 O ASN A 91 -10.504 -0.981 17.971 1.00 0.00 O ATOM 1351 CB ASN A 91 -12.652 -2.488 17.054 1.00 0.00 C ATOM 1352 CG ASN A 91 -14.164 -2.668 17.204 1.00 0.00 C ATOM 1353 OD1 ASN A 91 -14.921 -1.716 17.298 1.00 0.00 O ATOM 1354 ND2 ASN A 91 -14.559 -3.938 17.219 1.00 0.00 N ATOM 0 H ASN A 91 -12.225 -1.043 14.318 1.00 0.00 H new ATOM 0 HA ASN A 91 -13.242 -0.584 16.243 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -12.245 -3.296 16.446 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -12.176 -2.554 18.032 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -15.549 -4.163 17.314 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -13.872 -4.687 17.136 1.00 0.00 H new ATOM 1361 N ARG A 92 -11.600 0.921 17.427 1.00 0.00 N ATOM 1362 CA ARG A 92 -10.785 1.767 18.282 1.00 0.00 C ATOM 1363 C ARG A 92 -11.562 2.154 19.542 1.00 0.00 C ATOM 1364 O ARG A 92 -12.776 2.344 19.493 1.00 0.00 O ATOM 1365 CB ARG A 92 -10.351 3.037 17.549 1.00 0.00 C ATOM 1366 CG ARG A 92 -11.495 4.051 17.485 1.00 0.00 C ATOM 1367 CD ARG A 92 -11.304 5.021 16.317 1.00 0.00 C ATOM 1368 NE ARG A 92 -12.618 5.519 15.853 1.00 0.00 N ATOM 1369 CZ ARG A 92 -13.407 6.333 16.568 1.00 0.00 C ATOM 1370 NH1 ARG A 92 -13.021 6.745 17.782 1.00 0.00 N ATOM 1371 NH2 ARG A 92 -14.584 6.735 16.067 1.00 0.00 N ATOM 0 H ARG A 92 -12.330 1.413 16.911 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.896 1.200 18.559 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.495 3.480 18.058 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -10.026 2.786 16.539 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.444 3.527 17.375 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.545 4.608 18.421 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.678 5.857 16.627 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.786 4.521 15.499 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.943 5.225 14.932 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.126 6.439 18.163 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.622 7.364 18.325 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -14.878 6.421 15.142 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.185 7.354 16.611 1.00 0.00 H new ATOM 1385 N SER A 93 -10.830 2.258 20.642 1.00 0.00 N ATOM 1386 CA SER A 93 -11.436 2.618 21.912 1.00 0.00 C ATOM 1387 C SER A 93 -10.480 3.503 22.715 1.00 0.00 C ATOM 1388 O SER A 93 -9.526 3.008 23.314 1.00 0.00 O ATOM 1389 CB SER A 93 -11.809 1.372 22.718 1.00 0.00 C ATOM 1390 OG SER A 93 -13.131 0.925 22.428 1.00 0.00 O ATOM 0 H SER A 93 -9.823 2.099 20.679 1.00 0.00 H new ATOM 0 HA SER A 93 -12.352 3.173 21.709 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.100 0.573 22.500 1.00 0.00 H new ATOM 0 HB3 SER A 93 -11.725 1.590 23.783 1.00 0.00 H new ATOM 0 HG SER A 93 -13.331 0.127 22.961 1.00 0.00 H new ATOM 1396 N GLY A 94 -10.768 4.796 22.702 1.00 0.00 N ATOM 1397 CA GLY A 94 -9.946 5.754 23.421 1.00 0.00 C ATOM 1398 C GLY A 94 -9.944 5.456 24.922 1.00 0.00 C ATOM 1399 O GLY A 94 -10.998 5.235 25.516 1.00 0.00 O ATOM 0 H GLY A 94 -11.560 5.203 22.204 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.926 5.722 23.039 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.320 6.763 23.247 1.00 0.00 H new ATOM 1403 N PRO A 95 -8.716 5.461 25.507 1.00 0.00 N ATOM 1404 CA PRO A 95 -8.563 5.194 26.927 1.00 0.00 C ATOM 1405 C PRO A 95 -9.003 6.398 27.762 1.00 0.00 C ATOM 1406 O PRO A 95 -8.190 7.259 28.093 1.00 0.00 O ATOM 1407 CB PRO A 95 -7.092 4.853 27.106 1.00 0.00 C ATOM 1408 CG PRO A 95 -6.386 5.391 25.873 1.00 0.00 C ATOM 1409 CD PRO A 95 -7.446 5.719 24.834 1.00 0.00 C ATOM 0 HA PRO A 95 -9.194 4.374 27.271 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -6.694 5.307 28.013 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -6.949 3.776 27.199 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -5.808 6.281 26.122 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -5.684 4.654 25.483 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -7.374 6.757 24.508 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -7.335 5.098 23.945 1.00 0.00 H new ATOM 1417 N SER A 96 -10.290 6.420 28.078 1.00 0.00 N ATOM 1418 CA SER A 96 -10.848 7.504 28.868 1.00 0.00 C ATOM 1419 C SER A 96 -11.902 6.960 29.833 1.00 0.00 C ATOM 1420 O SER A 96 -12.962 6.503 29.407 1.00 0.00 O ATOM 1421 CB SER A 96 -11.457 8.583 27.970 1.00 0.00 C ATOM 1422 OG SER A 96 -12.400 8.041 27.049 1.00 0.00 O ATOM 0 H SER A 96 -10.962 5.704 27.801 1.00 0.00 H new ATOM 0 HA SER A 96 -10.041 7.960 29.441 1.00 0.00 H new ATOM 0 HB2 SER A 96 -11.946 9.336 28.588 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.663 9.088 27.421 1.00 0.00 H new ATOM 0 HG SER A 96 -12.912 7.329 27.486 1.00 0.00 H new ATOM 1428 N SER A 97 -11.575 7.025 31.115 1.00 0.00 N ATOM 1429 CA SER A 97 -12.481 6.544 32.144 1.00 0.00 C ATOM 1430 C SER A 97 -12.176 7.235 33.475 1.00 0.00 C ATOM 1431 O SER A 97 -13.041 7.896 34.048 1.00 0.00 O ATOM 1432 CB SER A 97 -12.381 5.025 32.300 1.00 0.00 C ATOM 1433 OG SER A 97 -13.128 4.336 31.302 1.00 0.00 O ATOM 0 H SER A 97 -10.695 7.404 31.465 1.00 0.00 H new ATOM 0 HA SER A 97 -13.500 6.785 31.842 1.00 0.00 H new ATOM 0 HB2 SER A 97 -11.335 4.723 32.243 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.743 4.737 33.287 1.00 0.00 H new ATOM 0 HG SER A 97 -13.243 4.916 30.520 1.00 0.00 H new ATOM 1439 N GLY A 98 -10.943 7.059 33.927 1.00 0.00 N ATOM 1440 CA GLY A 98 -10.513 7.658 35.180 1.00 0.00 C ATOM 1441 C GLY A 98 -10.086 9.112 34.974 1.00 0.00 C ATOM 1442 O GLY A 98 -9.867 9.545 33.843 1.00 0.00 O ATOM 0 H GLY A 98 -10.228 6.511 33.449 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -11.325 7.613 35.906 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -9.682 7.086 35.594 1.00 0.00 H new TER 1446 GLY A 98