USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 741 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: B 92 ASN : amide:sc= -0.0366 X(o=-0.024,f=0.24) USER MOD Set 1.2: B 93 LYS NZ :NH3+ 171:sc= 0.0124 (180deg=0) USER MOD Set 2.1: A 65 HIS : no HD1:sc= 1.36 K(o=2.2,f=-4.9!) USER MOD Set 2.2: B 95 THR OG1 : rot -58:sc= 0.824 USER MOD Set 3.1: A 34 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 18 ASN : amide:sc= -0.115 X(o=-0.12,f=0.1) USER MOD Set 4.2: A 36 LYS NZ :NH3+ 162:sc= 0 (180deg=0) USER MOD Set 5.1: A 10 CYS SG : rot 180:sc= -3.15! USER MOD Set 5.2: A 81 THR OG1 : rot -150:sc= -0.169 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0166 USER MOD Single : A 3 HIS : no HD1:sc= -0.0284 X(o=-0.028,f=-0.38) USER MOD Single : A 4 MET CE :methyl -137:sc= 0 (180deg=-0.0344) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.167 K(o=-0.17,f=-4.2!) USER MOD Single : A 15 LYS NZ :NH3+ -154:sc= -0.0516 (180deg=-0.515) USER MOD Single : A 23 THR OG1 : rot -59:sc= 0.741 USER MOD Single : A 25 SER OG : rot 180:sc= -0.76 USER MOD Single : A 28 ASN : amide:sc= -1.43 K(o=-1.4,f=-2.4) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.241 K(o=-0.24,f=-5.3!) USER MOD Single : A 58 THR OG1 : rot -130:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0.00221 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -2.89! C(o=-2.9!,f=-2.6!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.252 -3.513 -21.379 1.00 0.00 N ATOM 2 CA GLY A 1 12.709 -3.290 -22.747 1.00 0.00 C ATOM 3 C GLY A 1 12.914 -1.866 -23.234 1.00 0.00 C ATOM 4 O GLY A 1 13.969 -1.273 -23.005 1.00 0.00 O ATOM 0 H1 GLY A 1 13.086 -4.500 -21.096 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.274 -3.319 -21.375 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.776 -2.876 -20.709 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.189 -3.980 -23.441 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.644 -3.522 -22.753 1.00 0.00 H new ATOM 10 N SER A 2 11.905 -1.322 -23.913 1.00 0.00 N ATOM 11 CA SER A 2 11.976 0.038 -24.443 1.00 0.00 C ATOM 12 C SER A 2 11.293 1.038 -23.511 1.00 0.00 C ATOM 13 O SER A 2 10.502 0.653 -22.646 1.00 0.00 O ATOM 14 CB SER A 2 11.339 0.092 -25.835 1.00 0.00 C ATOM 15 OG SER A 2 10.128 -0.646 -25.874 1.00 0.00 O ATOM 0 H SER A 2 11.027 -1.804 -24.109 1.00 0.00 H new ATOM 0 HA SER A 2 13.027 0.316 -24.517 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.145 1.129 -26.109 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.035 -0.308 -26.572 1.00 0.00 H new ATOM 0 HG SER A 2 9.742 -0.593 -26.773 1.00 0.00 H new ATOM 21 N HIS A 3 11.610 2.325 -23.698 1.00 0.00 N ATOM 22 CA HIS A 3 11.043 3.405 -22.885 1.00 0.00 C ATOM 23 C HIS A 3 11.539 3.317 -21.441 1.00 0.00 C ATOM 24 O HIS A 3 10.969 2.590 -20.624 1.00 0.00 O ATOM 25 CB HIS A 3 9.507 3.369 -22.916 1.00 0.00 C ATOM 26 CG HIS A 3 8.905 3.839 -24.208 1.00 0.00 C ATOM 27 ND1 HIS A 3 9.537 3.728 -25.431 1.00 0.00 N ATOM 28 CD2 HIS A 3 7.707 4.416 -24.461 1.00 0.00 C ATOM 29 CE1 HIS A 3 8.755 4.216 -26.376 1.00 0.00 C ATOM 30 NE2 HIS A 3 7.638 4.640 -25.814 1.00 0.00 N ATOM 0 H HIS A 3 12.263 2.645 -24.413 1.00 0.00 H new ATOM 0 HA HIS A 3 11.377 4.351 -23.312 1.00 0.00 H new ATOM 0 HB2 HIS A 3 9.175 2.349 -22.724 1.00 0.00 H new ATOM 0 HB3 HIS A 3 9.124 3.987 -22.104 1.00 0.00 H new ATOM 0 HD2 HIS A 3 6.946 4.656 -23.733 1.00 0.00 H new ATOM 0 HE1 HIS A 3 8.989 4.261 -27.429 1.00 0.00 H new ATOM 0 HE2 HIS A 3 6.852 5.065 -26.305 1.00 0.00 H new ATOM 39 N MET A 4 12.608 4.054 -21.132 1.00 0.00 N ATOM 40 CA MET A 4 13.183 4.049 -19.785 1.00 0.00 C ATOM 41 C MET A 4 13.023 5.408 -19.107 1.00 0.00 C ATOM 42 O MET A 4 12.915 6.440 -19.774 1.00 0.00 O ATOM 43 CB MET A 4 14.665 3.664 -19.833 1.00 0.00 C ATOM 44 CG MET A 4 14.928 2.217 -19.449 1.00 0.00 C ATOM 45 SD MET A 4 14.556 1.065 -20.786 1.00 0.00 S ATOM 46 CE MET A 4 16.013 1.253 -21.810 1.00 0.00 C ATOM 0 H MET A 4 13.092 4.660 -21.794 1.00 0.00 H new ATOM 0 HA MET A 4 12.640 3.307 -19.199 1.00 0.00 H new ATOM 0 HB2 MET A 4 15.045 3.840 -20.839 1.00 0.00 H new ATOM 0 HB3 MET A 4 15.224 4.317 -19.163 1.00 0.00 H new ATOM 0 HG2 MET A 4 15.973 2.106 -19.159 1.00 0.00 H new ATOM 0 HG3 MET A 4 14.327 1.962 -18.577 1.00 0.00 H new ATOM 0 HE1 MET A 4 15.717 1.302 -22.858 1.00 0.00 H new ATOM 0 HE2 MET A 4 16.534 2.171 -21.537 1.00 0.00 H new ATOM 0 HE3 MET A 4 16.676 0.401 -21.659 1.00 0.00 H new ATOM 56 N GLY A 5 13.012 5.394 -17.773 1.00 0.00 N ATOM 57 CA GLY A 5 12.867 6.622 -17.010 1.00 0.00 C ATOM 58 C GLY A 5 11.857 6.490 -15.883 1.00 0.00 C ATOM 59 O GLY A 5 12.220 6.548 -14.707 1.00 0.00 O ATOM 0 H GLY A 5 13.101 4.550 -17.208 1.00 0.00 H new ATOM 0 HA2 GLY A 5 13.835 6.905 -16.595 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.559 7.427 -17.678 1.00 0.00 H new ATOM 63 N LEU A 6 10.586 6.311 -16.249 1.00 0.00 N ATOM 64 CA LEU A 6 9.510 6.168 -15.271 1.00 0.00 C ATOM 65 C LEU A 6 8.446 5.190 -15.772 1.00 0.00 C ATOM 66 O LEU A 6 7.740 5.473 -16.742 1.00 0.00 O ATOM 67 CB LEU A 6 8.873 7.532 -14.977 1.00 0.00 C ATOM 68 CG LEU A 6 9.568 8.356 -13.888 1.00 0.00 C ATOM 69 CD1 LEU A 6 9.194 9.825 -14.009 1.00 0.00 C ATOM 70 CD2 LEU A 6 9.209 7.825 -12.507 1.00 0.00 C ATOM 0 H LEU A 6 10.278 6.262 -17.220 1.00 0.00 H new ATOM 0 HA LEU A 6 9.938 5.771 -14.351 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.860 8.115 -15.898 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.835 7.375 -14.684 1.00 0.00 H new ATOM 0 HG LEU A 6 10.646 8.264 -14.023 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.697 10.394 -13.227 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.501 10.199 -14.985 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.115 9.936 -13.901 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.711 8.422 -11.746 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.130 7.886 -12.363 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.528 6.786 -12.422 1.00 0.00 H new ATOM 82 N VAL A 7 8.342 4.039 -15.106 1.00 0.00 N ATOM 83 CA VAL A 7 7.370 3.015 -15.482 1.00 0.00 C ATOM 84 C VAL A 7 6.555 2.550 -14.272 1.00 0.00 C ATOM 85 O VAL A 7 7.055 2.534 -13.143 1.00 0.00 O ATOM 86 CB VAL A 7 8.063 1.801 -16.150 1.00 0.00 C ATOM 87 CG1 VAL A 7 9.042 1.130 -15.194 1.00 0.00 C ATOM 88 CG2 VAL A 7 7.033 0.801 -16.659 1.00 0.00 C ATOM 0 H VAL A 7 8.921 3.794 -14.303 1.00 0.00 H new ATOM 0 HA VAL A 7 6.690 3.468 -16.204 1.00 0.00 H new ATOM 0 HB VAL A 7 8.630 2.170 -17.004 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.513 0.282 -15.691 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.808 1.846 -14.896 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.507 0.782 -14.311 1.00 0.00 H new ATOM 0 HG21 VAL A 7 7.544 -0.042 -17.124 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.429 0.444 -15.825 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.388 1.284 -17.393 1.00 0.00 H new ATOM 98 N GLN A 8 5.298 2.175 -14.514 1.00 0.00 N ATOM 99 CA GLN A 8 4.411 1.710 -13.448 1.00 0.00 C ATOM 100 C GLN A 8 4.355 0.181 -13.411 1.00 0.00 C ATOM 101 O GLN A 8 4.478 -0.481 -14.444 1.00 0.00 O ATOM 102 CB GLN A 8 2.999 2.273 -13.639 1.00 0.00 C ATOM 103 CG GLN A 8 2.897 3.776 -13.418 1.00 0.00 C ATOM 104 CD GLN A 8 1.542 4.337 -13.819 1.00 0.00 C ATOM 105 OE1 GLN A 8 1.448 5.188 -14.703 1.00 0.00 O ATOM 106 NE2 GLN A 8 0.483 3.861 -13.169 1.00 0.00 N ATOM 0 H GLN A 8 4.871 2.184 -15.440 1.00 0.00 H new ATOM 0 HA GLN A 8 4.813 2.068 -12.500 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.660 2.041 -14.648 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.321 1.768 -12.951 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.081 3.998 -12.367 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.677 4.277 -13.991 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.605 3.156 -12.442 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.451 4.202 -13.397 1.00 0.00 H new ATOM 115 N ARG A 9 4.170 -0.371 -12.210 1.00 0.00 N ATOM 116 CA ARG A 9 4.099 -1.819 -12.021 1.00 0.00 C ATOM 117 C ARG A 9 3.176 -2.178 -10.853 1.00 0.00 C ATOM 118 O ARG A 9 3.153 -1.484 -9.835 1.00 0.00 O ATOM 119 CB ARG A 9 5.501 -2.380 -11.770 1.00 0.00 C ATOM 120 CG ARG A 9 5.738 -3.742 -12.403 1.00 0.00 C ATOM 121 CD ARG A 9 7.097 -3.818 -13.084 1.00 0.00 C ATOM 122 NE ARG A 9 7.836 -5.024 -12.711 1.00 0.00 N ATOM 123 CZ ARG A 9 8.460 -5.189 -11.540 1.00 0.00 C ATOM 124 NH1 ARG A 9 8.427 -4.232 -10.615 1.00 0.00 N ATOM 125 NH2 ARG A 9 9.116 -6.319 -11.292 1.00 0.00 N ATOM 0 H ARG A 9 4.066 0.168 -11.350 1.00 0.00 H new ATOM 0 HA ARG A 9 3.688 -2.262 -12.928 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.238 -1.677 -12.156 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.665 -2.455 -10.695 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.671 -4.515 -11.638 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.954 -3.946 -13.132 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.961 -3.797 -14.165 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.684 -2.938 -12.819 1.00 0.00 H new ATOM 0 HE ARG A 9 7.878 -5.787 -13.387 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.923 -3.364 -10.797 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.906 -4.367 -9.725 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.143 -7.058 -11.995 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.593 -6.447 -10.399 1.00 0.00 H new ATOM 139 N CYS A 10 2.422 -3.270 -11.006 1.00 0.00 N ATOM 140 CA CYS A 10 1.500 -3.726 -9.963 1.00 0.00 C ATOM 141 C CYS A 10 2.139 -4.824 -9.110 1.00 0.00 C ATOM 142 O CYS A 10 2.683 -5.795 -9.639 1.00 0.00 O ATOM 143 CB CYS A 10 0.200 -4.241 -10.590 1.00 0.00 C ATOM 144 SG CYS A 10 -1.223 -4.210 -9.477 1.00 0.00 S ATOM 0 H CYS A 10 2.432 -3.854 -11.842 1.00 0.00 H new ATOM 0 HA CYS A 10 1.273 -2.877 -9.318 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.028 -3.640 -11.470 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.356 -5.264 -10.934 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.271 -4.661 -10.100 1.00 0.00 H new ATOM 150 N VAL A 11 2.071 -4.659 -7.788 1.00 0.00 N ATOM 151 CA VAL A 11 2.644 -5.631 -6.858 1.00 0.00 C ATOM 152 C VAL A 11 1.552 -6.346 -6.063 1.00 0.00 C ATOM 153 O VAL A 11 0.721 -5.702 -5.427 1.00 0.00 O ATOM 154 CB VAL A 11 3.625 -4.958 -5.874 1.00 0.00 C ATOM 155 CG1 VAL A 11 4.439 -6.005 -5.130 1.00 0.00 C ATOM 156 CG2 VAL A 11 4.540 -3.982 -6.605 1.00 0.00 C ATOM 0 H VAL A 11 1.624 -3.860 -7.338 1.00 0.00 H new ATOM 0 HA VAL A 11 3.187 -6.360 -7.459 1.00 0.00 H new ATOM 0 HB VAL A 11 3.043 -4.395 -5.144 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.125 -5.511 -4.441 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.768 -6.657 -4.570 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.008 -6.599 -5.845 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.223 -3.520 -5.892 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.113 -4.518 -7.361 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.939 -3.210 -7.085 1.00 0.00 H new ATOM 166 N ILE A 12 1.556 -7.680 -6.102 1.00 0.00 N ATOM 167 CA ILE A 12 0.556 -8.467 -5.379 1.00 0.00 C ATOM 168 C ILE A 12 1.100 -8.925 -4.024 1.00 0.00 C ATOM 169 O ILE A 12 1.991 -9.774 -3.958 1.00 0.00 O ATOM 170 CB ILE A 12 0.108 -9.703 -6.195 1.00 0.00 C ATOM 171 CG1 ILE A 12 -0.275 -9.300 -7.626 1.00 0.00 C ATOM 172 CG2 ILE A 12 -1.058 -10.402 -5.509 1.00 0.00 C ATOM 173 CD1 ILE A 12 0.811 -9.574 -8.647 1.00 0.00 C ATOM 0 H ILE A 12 2.236 -8.234 -6.623 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.308 -7.821 -5.222 1.00 0.00 H new ATOM 0 HB ILE A 12 0.946 -10.398 -6.248 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.178 -9.837 -7.916 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.517 -8.237 -7.642 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.360 -11.269 -6.097 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.753 -10.727 -4.514 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.897 -9.712 -5.424 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.469 -9.264 -9.634 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.709 -9.016 -8.382 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.038 -10.640 -8.660 1.00 0.00 H new ATOM 185 N ILE A 13 0.550 -8.359 -2.946 1.00 0.00 N ATOM 186 CA ILE A 13 0.975 -8.705 -1.588 1.00 0.00 C ATOM 187 C ILE A 13 -0.060 -9.596 -0.899 1.00 0.00 C ATOM 188 O ILE A 13 -1.253 -9.293 -0.904 1.00 0.00 O ATOM 189 CB ILE A 13 1.206 -7.442 -0.721 1.00 0.00 C ATOM 190 CG1 ILE A 13 2.104 -6.436 -1.452 1.00 0.00 C ATOM 191 CG2 ILE A 13 1.817 -7.820 0.622 1.00 0.00 C ATOM 192 CD1 ILE A 13 2.305 -5.142 -0.692 1.00 0.00 C ATOM 0 H ILE A 13 -0.191 -7.659 -2.988 1.00 0.00 H new ATOM 0 HA ILE A 13 1.917 -9.245 -1.683 1.00 0.00 H new ATOM 0 HB ILE A 13 0.239 -6.971 -0.543 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.076 -6.895 -1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.668 -6.212 -2.426 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.972 -6.920 1.217 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.143 -8.494 1.151 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.773 -8.317 0.460 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.950 -4.478 -1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.340 -4.661 -0.531 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.770 -5.354 0.271 1.00 0.00 H new ATOM 204 N GLN A 14 0.414 -10.690 -0.304 1.00 0.00 N ATOM 205 CA GLN A 14 -0.456 -11.635 0.398 1.00 0.00 C ATOM 206 C GLN A 14 -0.325 -11.465 1.914 1.00 0.00 C ATOM 207 O GLN A 14 0.693 -10.975 2.403 1.00 0.00 O ATOM 208 CB GLN A 14 -0.098 -13.072 0.001 1.00 0.00 C ATOM 209 CG GLN A 14 -0.291 -13.369 -1.482 1.00 0.00 C ATOM 210 CD GLN A 14 0.972 -13.158 -2.302 1.00 0.00 C ATOM 211 OE1 GLN A 14 1.908 -12.484 -1.868 1.00 0.00 O ATOM 212 NE2 GLN A 14 1.005 -13.737 -3.499 1.00 0.00 N ATOM 0 H GLN A 14 1.401 -10.945 -0.294 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.488 -11.431 0.114 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.941 -13.264 0.268 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.709 -13.762 0.582 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.625 -14.400 -1.599 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.083 -12.731 -1.874 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.209 -14.287 -3.822 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.826 -13.631 -4.094 1.00 0.00 H new ATOM 221 N LYS A 15 -1.355 -11.878 2.656 1.00 0.00 N ATOM 222 CA LYS A 15 -1.339 -11.772 4.116 1.00 0.00 C ATOM 223 C LYS A 15 -0.708 -13.016 4.738 1.00 0.00 C ATOM 224 O LYS A 15 -1.086 -14.143 4.414 1.00 0.00 O ATOM 225 CB LYS A 15 -2.757 -11.574 4.667 1.00 0.00 C ATOM 226 CG LYS A 15 -2.821 -11.433 6.187 1.00 0.00 C ATOM 227 CD LYS A 15 -3.121 -9.999 6.608 1.00 0.00 C ATOM 228 CE LYS A 15 -4.530 -9.856 7.173 1.00 0.00 C ATOM 229 NZ LYS A 15 -5.560 -10.467 6.283 1.00 0.00 N ATOM 0 H LYS A 15 -2.207 -12.287 2.272 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.739 -10.901 4.381 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.191 -10.684 4.212 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.374 -12.420 4.365 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.590 -12.097 6.582 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.873 -11.749 6.622 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.395 -9.681 7.357 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.005 -9.337 5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.575 -10.327 8.155 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.757 -8.799 7.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.475 -9.998 6.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.274 -10.350 5.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.650 -11.480 6.500 1.00 0.00 H new ATOM 243 N ASP A 16 0.254 -12.796 5.633 1.00 0.00 N ATOM 244 CA ASP A 16 0.946 -13.890 6.307 1.00 0.00 C ATOM 245 C ASP A 16 0.795 -13.775 7.827 1.00 0.00 C ATOM 246 O ASP A 16 0.064 -12.914 8.322 1.00 0.00 O ATOM 247 CB ASP A 16 2.431 -13.887 5.917 1.00 0.00 C ATOM 248 CG ASP A 16 2.776 -14.979 4.924 1.00 0.00 C ATOM 249 OD1 ASP A 16 2.989 -16.131 5.357 1.00 0.00 O ATOM 250 OD2 ASP A 16 2.835 -14.682 3.712 1.00 0.00 O ATOM 0 H ASP A 16 0.572 -11.866 5.908 1.00 0.00 H new ATOM 0 HA ASP A 16 0.497 -14.832 5.992 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.688 -12.918 5.489 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.038 -14.011 6.814 1.00 0.00 H new ATOM 255 N ASP A 17 1.497 -14.642 8.563 1.00 0.00 N ATOM 256 CA ASP A 17 1.448 -14.630 10.030 1.00 0.00 C ATOM 257 C ASP A 17 1.873 -13.267 10.585 1.00 0.00 C ATOM 258 O ASP A 17 1.331 -12.802 11.588 1.00 0.00 O ATOM 259 CB ASP A 17 2.337 -15.738 10.611 1.00 0.00 C ATOM 260 CG ASP A 17 3.816 -15.519 10.335 1.00 0.00 C ATOM 261 OD1 ASP A 17 4.192 -15.405 9.149 1.00 0.00 O ATOM 262 OD2 ASP A 17 4.596 -15.461 11.307 1.00 0.00 O ATOM 0 H ASP A 17 2.105 -15.360 8.169 1.00 0.00 H new ATOM 0 HA ASP A 17 0.416 -14.815 10.330 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.179 -15.796 11.688 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.033 -16.697 10.192 1.00 0.00 H new ATOM 267 N ASN A 18 2.842 -12.634 9.922 1.00 0.00 N ATOM 268 CA ASN A 18 3.335 -11.324 10.342 1.00 0.00 C ATOM 269 C ASN A 18 2.626 -10.184 9.593 1.00 0.00 C ATOM 270 O ASN A 18 2.869 -9.008 9.873 1.00 0.00 O ATOM 271 CB ASN A 18 4.849 -11.235 10.124 1.00 0.00 C ATOM 272 CG ASN A 18 5.499 -10.220 11.045 1.00 0.00 C ATOM 273 OD1 ASN A 18 5.528 -10.403 12.262 1.00 0.00 O ATOM 274 ND2 ASN A 18 6.020 -9.139 10.474 1.00 0.00 N ATOM 0 H ASN A 18 3.300 -13.009 9.091 1.00 0.00 H new ATOM 0 HA ASN A 18 3.115 -11.212 11.404 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.297 -12.215 10.291 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.050 -10.965 9.087 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.465 -8.423 11.048 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.975 -9.025 9.461 1.00 0.00 H new ATOM 281 N GLY A 19 1.750 -10.533 8.643 1.00 0.00 N ATOM 282 CA GLY A 19 1.029 -9.525 7.882 1.00 0.00 C ATOM 283 C GLY A 19 1.785 -9.073 6.643 1.00 0.00 C ATOM 284 O GLY A 19 2.672 -9.779 6.161 1.00 0.00 O ATOM 0 H GLY A 19 1.530 -11.496 8.390 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.059 -9.924 7.585 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.837 -8.662 8.520 1.00 0.00 H new ATOM 288 N PHE A 20 1.431 -7.893 6.128 1.00 0.00 N ATOM 289 CA PHE A 20 2.085 -7.347 4.937 1.00 0.00 C ATOM 290 C PHE A 20 3.516 -6.909 5.250 1.00 0.00 C ATOM 291 O PHE A 20 4.448 -7.248 4.521 1.00 0.00 O ATOM 292 CB PHE A 20 1.286 -6.162 4.377 1.00 0.00 C ATOM 293 CG PHE A 20 -0.129 -6.502 3.980 1.00 0.00 C ATOM 294 CD1 PHE A 20 -0.406 -7.636 3.227 1.00 0.00 C ATOM 295 CD2 PHE A 20 -1.180 -5.682 4.359 1.00 0.00 C ATOM 296 CE1 PHE A 20 -1.705 -7.939 2.861 1.00 0.00 C ATOM 297 CE2 PHE A 20 -2.479 -5.983 3.995 1.00 0.00 C ATOM 298 CZ PHE A 20 -2.742 -7.112 3.246 1.00 0.00 C ATOM 0 H PHE A 20 0.698 -7.299 6.516 1.00 0.00 H new ATOM 0 HA PHE A 20 2.121 -8.136 4.186 1.00 0.00 H new ATOM 0 HB2 PHE A 20 1.261 -5.369 5.125 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.809 -5.764 3.508 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.401 -8.287 2.924 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.982 -4.797 4.946 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.908 -8.822 2.274 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.288 -5.335 4.297 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.757 -7.348 2.962 1.00 0.00 H new ATOM 308 N GLY A 21 3.681 -6.158 6.341 1.00 0.00 N ATOM 309 CA GLY A 21 4.997 -5.685 6.743 1.00 0.00 C ATOM 310 C GLY A 21 5.581 -4.665 5.781 1.00 0.00 C ATOM 311 O GLY A 21 6.626 -4.908 5.175 1.00 0.00 O ATOM 0 H GLY A 21 2.921 -5.868 6.956 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.930 -5.242 7.737 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.675 -6.535 6.818 1.00 0.00 H new ATOM 315 N LEU A 22 4.910 -3.522 5.638 1.00 0.00 N ATOM 316 CA LEU A 22 5.374 -2.466 4.741 1.00 0.00 C ATOM 317 C LEU A 22 4.957 -1.083 5.243 1.00 0.00 C ATOM 318 O LEU A 22 3.864 -0.913 5.790 1.00 0.00 O ATOM 319 CB LEU A 22 4.831 -2.688 3.326 1.00 0.00 C ATOM 320 CG LEU A 22 3.310 -2.856 3.231 1.00 0.00 C ATOM 321 CD1 LEU A 22 2.630 -1.510 3.020 1.00 0.00 C ATOM 322 CD2 LEU A 22 2.948 -3.821 2.113 1.00 0.00 C ATOM 0 H LEU A 22 4.044 -3.305 6.132 1.00 0.00 H new ATOM 0 HA LEU A 22 6.463 -2.508 4.720 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.127 -1.844 2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.306 -3.575 2.907 1.00 0.00 H new ATOM 0 HG LEU A 22 2.953 -3.272 4.173 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.551 -1.653 2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.859 -0.851 3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.992 -1.060 2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.864 -3.928 2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.321 -3.435 1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.399 -4.793 2.311 1.00 0.00 H new ATOM 334 N THR A 23 5.833 -0.098 5.041 1.00 0.00 N ATOM 335 CA THR A 23 5.565 1.277 5.460 1.00 0.00 C ATOM 336 C THR A 23 5.348 2.176 4.244 1.00 0.00 C ATOM 337 O THR A 23 6.147 2.163 3.305 1.00 0.00 O ATOM 338 CB THR A 23 6.722 1.817 6.307 1.00 0.00 C ATOM 339 OG1 THR A 23 7.294 0.790 7.101 1.00 0.00 O ATOM 340 CG2 THR A 23 6.307 2.939 7.234 1.00 0.00 C ATOM 0 H THR A 23 6.737 -0.228 4.588 1.00 0.00 H new ATOM 0 HA THR A 23 4.657 1.276 6.064 1.00 0.00 H new ATOM 0 HB THR A 23 7.446 2.205 5.590 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.608 0.411 7.689 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.171 3.277 7.806 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.913 3.769 6.647 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.538 2.580 7.918 1.00 0.00 H new ATOM 348 N VAL A 24 4.262 2.952 4.263 1.00 0.00 N ATOM 349 CA VAL A 24 3.943 3.852 3.152 1.00 0.00 C ATOM 350 C VAL A 24 3.327 5.167 3.648 1.00 0.00 C ATOM 351 O VAL A 24 2.557 5.181 4.611 1.00 0.00 O ATOM 352 CB VAL A 24 2.994 3.165 2.144 1.00 0.00 C ATOM 353 CG1 VAL A 24 1.656 2.831 2.790 1.00 0.00 C ATOM 354 CG2 VAL A 24 2.805 4.030 0.910 1.00 0.00 C ATOM 0 H VAL A 24 3.592 2.976 5.031 1.00 0.00 H new ATOM 0 HA VAL A 24 4.880 4.089 2.648 1.00 0.00 H new ATOM 0 HB VAL A 24 3.453 2.227 1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.009 2.349 2.058 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.816 2.157 3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.184 3.748 3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.134 3.528 0.213 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.376 4.989 1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.770 4.194 0.430 1.00 0.00 H new ATOM 364 N SER A 25 3.683 6.275 2.992 1.00 0.00 N ATOM 365 CA SER A 25 3.178 7.593 3.379 1.00 0.00 C ATOM 366 C SER A 25 2.860 8.453 2.156 1.00 0.00 C ATOM 367 O SER A 25 3.333 8.181 1.050 1.00 0.00 O ATOM 368 CB SER A 25 4.203 8.314 4.267 1.00 0.00 C ATOM 369 OG SER A 25 5.134 7.405 4.834 1.00 0.00 O ATOM 0 H SER A 25 4.317 6.285 2.193 1.00 0.00 H new ATOM 0 HA SER A 25 2.254 7.442 3.938 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.735 9.060 3.677 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.684 8.848 5.063 1.00 0.00 H new ATOM 0 HG SER A 25 5.773 7.896 5.392 1.00 0.00 H new ATOM 375 N GLY A 26 2.058 9.499 2.369 1.00 0.00 N ATOM 376 CA GLY A 26 1.686 10.402 1.288 1.00 0.00 C ATOM 377 C GLY A 26 0.328 10.081 0.688 1.00 0.00 C ATOM 378 O GLY A 26 -0.162 8.958 0.816 1.00 0.00 O ATOM 0 H GLY A 26 1.658 9.737 3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.679 11.425 1.663 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.443 10.355 0.505 1.00 0.00 H new ATOM 382 N ASP A 27 -0.281 11.070 0.025 1.00 0.00 N ATOM 383 CA ASP A 27 -1.590 10.887 -0.605 1.00 0.00 C ATOM 384 C ASP A 27 -1.454 10.791 -2.125 1.00 0.00 C ATOM 385 O ASP A 27 -0.336 10.734 -2.632 1.00 0.00 O ATOM 386 CB ASP A 27 -2.542 12.032 -0.221 1.00 0.00 C ATOM 387 CG ASP A 27 -1.956 13.417 -0.462 1.00 0.00 C ATOM 388 OD1 ASP A 27 -1.425 13.661 -1.566 1.00 0.00 O ATOM 389 OD2 ASP A 27 -2.041 14.261 0.455 1.00 0.00 O ATOM 0 H ASP A 27 0.112 12.004 -0.088 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.012 9.951 -0.240 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.465 11.933 -0.792 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.806 11.936 0.832 1.00 0.00 H new ATOM 394 N ASN A 28 -2.603 10.756 -2.832 1.00 0.00 N ATOM 395 CA ASN A 28 -2.644 10.647 -4.301 1.00 0.00 C ATOM 396 C ASN A 28 -1.430 9.858 -4.816 1.00 0.00 C ATOM 397 O ASN A 28 -1.478 8.629 -4.836 1.00 0.00 O ATOM 398 CB ASN A 28 -2.762 12.034 -4.952 1.00 0.00 C ATOM 399 CG ASN A 28 -4.189 12.560 -4.960 1.00 0.00 C ATOM 400 OD1 ASN A 28 -4.895 12.493 -3.953 1.00 0.00 O ATOM 401 ND2 ASN A 28 -4.621 13.088 -6.102 1.00 0.00 N ATOM 0 H ASN A 28 -3.525 10.803 -2.399 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.536 10.090 -4.588 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.123 12.737 -4.418 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.392 11.983 -5.976 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.570 13.457 -6.167 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.003 13.124 -6.913 1.00 0.00 H new ATOM 408 N PRO A 29 -0.297 10.515 -5.180 1.00 0.00 N ATOM 409 CA PRO A 29 0.902 9.791 -5.607 1.00 0.00 C ATOM 410 C PRO A 29 1.634 9.228 -4.384 1.00 0.00 C ATOM 411 O PRO A 29 2.757 9.632 -4.070 1.00 0.00 O ATOM 412 CB PRO A 29 1.729 10.873 -6.298 1.00 0.00 C ATOM 413 CG PRO A 29 1.383 12.122 -5.562 1.00 0.00 C ATOM 414 CD PRO A 29 -0.059 11.979 -5.148 1.00 0.00 C ATOM 0 HA PRO A 29 0.698 8.940 -6.256 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.796 10.658 -6.238 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.478 10.951 -7.356 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.027 12.253 -4.692 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.521 12.998 -6.195 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.232 12.390 -4.153 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.725 12.507 -5.831 1.00 0.00 H new ATOM 422 N VAL A 30 0.957 8.319 -3.677 1.00 0.00 N ATOM 423 CA VAL A 30 1.492 7.712 -2.457 1.00 0.00 C ATOM 424 C VAL A 30 2.908 7.168 -2.676 1.00 0.00 C ATOM 425 O VAL A 30 3.227 6.650 -3.747 1.00 0.00 O ATOM 426 CB VAL A 30 0.570 6.582 -1.948 1.00 0.00 C ATOM 427 CG1 VAL A 30 1.112 5.975 -0.664 1.00 0.00 C ATOM 428 CG2 VAL A 30 -0.848 7.096 -1.735 1.00 0.00 C ATOM 0 H VAL A 30 0.028 7.985 -3.933 1.00 0.00 H new ATOM 0 HA VAL A 30 1.537 8.497 -1.702 1.00 0.00 H new ATOM 0 HB VAL A 30 0.544 5.803 -2.710 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.445 5.182 -0.326 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.104 5.561 -0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.177 6.746 0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.480 6.283 -1.377 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.837 7.899 -0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.243 7.474 -2.678 1.00 0.00 H new ATOM 438 N PHE A 31 3.756 7.299 -1.655 1.00 0.00 N ATOM 439 CA PHE A 31 5.138 6.831 -1.742 1.00 0.00 C ATOM 440 C PHE A 31 5.467 5.821 -0.639 1.00 0.00 C ATOM 441 O PHE A 31 5.302 6.108 0.549 1.00 0.00 O ATOM 442 CB PHE A 31 6.099 8.022 -1.661 1.00 0.00 C ATOM 443 CG PHE A 31 7.506 7.692 -2.072 1.00 0.00 C ATOM 444 CD1 PHE A 31 7.904 7.819 -3.393 1.00 0.00 C ATOM 445 CD2 PHE A 31 8.430 7.252 -1.138 1.00 0.00 C ATOM 446 CE1 PHE A 31 9.196 7.515 -3.775 1.00 0.00 C ATOM 447 CE2 PHE A 31 9.723 6.947 -1.514 1.00 0.00 C ATOM 448 CZ PHE A 31 10.107 7.078 -2.834 1.00 0.00 C ATOM 0 H PHE A 31 3.510 7.724 -0.761 1.00 0.00 H new ATOM 0 HA PHE A 31 5.257 6.327 -2.701 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.723 8.824 -2.296 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.108 8.401 -0.639 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.195 8.160 -4.133 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.136 7.146 -0.104 1.00 0.00 H new ATOM 0 HE1 PHE A 31 9.493 7.619 -4.808 1.00 0.00 H new ATOM 0 HE2 PHE A 31 10.434 6.606 -0.776 1.00 0.00 H new ATOM 0 HZ PHE A 31 11.118 6.839 -3.130 1.00 0.00 H new ATOM 458 N VAL A 32 5.950 4.646 -1.046 1.00 0.00 N ATOM 459 CA VAL A 32 6.325 3.592 -0.106 1.00 0.00 C ATOM 460 C VAL A 32 7.656 3.928 0.566 1.00 0.00 C ATOM 461 O VAL A 32 8.643 4.224 -0.110 1.00 0.00 O ATOM 462 CB VAL A 32 6.455 2.220 -0.805 1.00 0.00 C ATOM 463 CG1 VAL A 32 6.658 1.110 0.218 1.00 0.00 C ATOM 464 CG2 VAL A 32 5.239 1.934 -1.674 1.00 0.00 C ATOM 0 H VAL A 32 6.091 4.401 -2.026 1.00 0.00 H new ATOM 0 HA VAL A 32 5.532 3.531 0.639 1.00 0.00 H new ATOM 0 HB VAL A 32 7.332 2.254 -1.452 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.747 0.153 -0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.567 1.302 0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.805 1.080 0.896 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.356 0.963 -2.155 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.342 1.927 -1.054 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.147 2.707 -2.437 1.00 0.00 H new ATOM 474 N GLN A 33 7.675 3.880 1.897 1.00 0.00 N ATOM 475 CA GLN A 33 8.882 4.182 2.661 1.00 0.00 C ATOM 476 C GLN A 33 9.822 2.974 2.717 1.00 0.00 C ATOM 477 O GLN A 33 10.924 3.016 2.168 1.00 0.00 O ATOM 478 CB GLN A 33 8.511 4.634 4.077 1.00 0.00 C ATOM 479 CG GLN A 33 9.660 5.278 4.837 1.00 0.00 C ATOM 480 CD GLN A 33 9.856 4.678 6.217 1.00 0.00 C ATOM 481 OE1 GLN A 33 10.718 3.821 6.415 1.00 0.00 O ATOM 482 NE2 GLN A 33 9.057 5.125 7.179 1.00 0.00 N ATOM 0 H GLN A 33 6.867 3.634 2.468 1.00 0.00 H new ATOM 0 HA GLN A 33 9.408 4.992 2.155 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.685 5.343 4.017 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.152 3.773 4.641 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.579 5.166 4.262 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.473 6.348 4.933 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.356 5.836 6.971 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.144 4.757 8.126 1.00 0.00 H new ATOM 491 N SER A 34 9.385 1.901 3.383 1.00 0.00 N ATOM 492 CA SER A 34 10.197 0.689 3.504 1.00 0.00 C ATOM 493 C SER A 34 9.327 -0.570 3.468 1.00 0.00 C ATOM 494 O SER A 34 8.106 -0.497 3.625 1.00 0.00 O ATOM 495 CB SER A 34 11.014 0.720 4.798 1.00 0.00 C ATOM 496 OG SER A 34 12.150 -0.123 4.701 1.00 0.00 O ATOM 0 H SER A 34 8.477 1.848 3.845 1.00 0.00 H new ATOM 0 HA SER A 34 10.876 0.659 2.652 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.331 1.741 5.008 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.391 0.402 5.634 1.00 0.00 H new ATOM 0 HG SER A 34 12.658 -0.086 5.539 1.00 0.00 H new ATOM 502 N VAL A 35 9.967 -1.724 3.256 1.00 0.00 N ATOM 503 CA VAL A 35 9.256 -3.001 3.196 1.00 0.00 C ATOM 504 C VAL A 35 10.014 -4.101 3.941 1.00 0.00 C ATOM 505 O VAL A 35 11.243 -4.082 4.012 1.00 0.00 O ATOM 506 CB VAL A 35 9.018 -3.448 1.736 1.00 0.00 C ATOM 507 CG1 VAL A 35 7.900 -2.632 1.108 1.00 0.00 C ATOM 508 CG2 VAL A 35 10.293 -3.334 0.910 1.00 0.00 C ATOM 0 H VAL A 35 10.976 -1.798 3.123 1.00 0.00 H new ATOM 0 HA VAL A 35 8.293 -2.843 3.681 1.00 0.00 H new ATOM 0 HB VAL A 35 8.721 -4.497 1.748 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.744 -2.959 0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.981 -2.775 1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.171 -1.576 1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.094 -3.655 -0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.632 -2.298 0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.066 -3.967 1.345 1.00 0.00 H new ATOM 518 N LYS A 36 9.268 -5.060 4.495 1.00 0.00 N ATOM 519 CA LYS A 36 9.866 -6.170 5.236 1.00 0.00 C ATOM 520 C LYS A 36 10.615 -7.115 4.296 1.00 0.00 C ATOM 521 O LYS A 36 9.997 -7.852 3.525 1.00 0.00 O ATOM 522 CB LYS A 36 8.791 -6.949 6.006 1.00 0.00 C ATOM 523 CG LYS A 36 8.607 -6.489 7.444 1.00 0.00 C ATOM 524 CD LYS A 36 8.439 -7.669 8.393 1.00 0.00 C ATOM 525 CE LYS A 36 9.432 -7.606 9.545 1.00 0.00 C ATOM 526 NZ LYS A 36 9.280 -8.754 10.485 1.00 0.00 N ATOM 0 H LYS A 36 8.250 -5.089 4.444 1.00 0.00 H new ATOM 0 HA LYS A 36 10.577 -5.749 5.947 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.841 -6.854 5.480 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.052 -8.007 6.004 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.468 -5.895 7.750 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.733 -5.841 7.510 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.423 -7.678 8.788 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.576 -8.601 7.844 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.447 -7.597 9.147 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.295 -6.672 10.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.140 -8.846 11.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.462 -8.589 11.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.132 -9.629 9.943 1.00 0.00 H new ATOM 540 N GLU A 37 11.949 -7.088 4.371 1.00 0.00 N ATOM 541 CA GLU A 37 12.793 -7.943 3.531 1.00 0.00 C ATOM 542 C GLU A 37 12.419 -9.421 3.677 1.00 0.00 C ATOM 543 O GLU A 37 12.529 -10.190 2.722 1.00 0.00 O ATOM 544 CB GLU A 37 14.277 -7.743 3.865 1.00 0.00 C ATOM 545 CG GLU A 37 14.606 -7.877 5.347 1.00 0.00 C ATOM 546 CD GLU A 37 15.817 -8.756 5.605 1.00 0.00 C ATOM 547 OE1 GLU A 37 16.907 -8.434 5.084 1.00 0.00 O ATOM 548 OE2 GLU A 37 15.677 -9.761 6.331 1.00 0.00 O ATOM 0 H GLU A 37 12.468 -6.482 5.006 1.00 0.00 H new ATOM 0 HA GLU A 37 12.621 -7.649 2.496 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.865 -8.471 3.306 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.585 -6.755 3.524 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.786 -6.887 5.765 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.744 -8.292 5.870 1.00 0.00 H new ATOM 555 N ASP A 38 11.969 -9.809 4.873 1.00 0.00 N ATOM 556 CA ASP A 38 11.574 -11.189 5.128 1.00 0.00 C ATOM 557 C ASP A 38 10.065 -11.289 5.367 1.00 0.00 C ATOM 558 O ASP A 38 9.616 -11.958 6.300 1.00 0.00 O ATOM 559 CB ASP A 38 12.346 -11.751 6.327 1.00 0.00 C ATOM 560 CG ASP A 38 12.720 -13.210 6.141 1.00 0.00 C ATOM 561 OD1 ASP A 38 13.327 -13.541 5.101 1.00 0.00 O ATOM 562 OD2 ASP A 38 12.400 -14.022 7.034 1.00 0.00 O ATOM 0 H ASP A 38 11.871 -9.186 5.675 1.00 0.00 H new ATOM 0 HA ASP A 38 11.817 -11.783 4.247 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.251 -11.163 6.481 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.741 -11.646 7.227 1.00 0.00 H new ATOM 567 N GLY A 39 9.288 -10.619 4.514 1.00 0.00 N ATOM 568 CA GLY A 39 7.840 -10.642 4.640 1.00 0.00 C ATOM 569 C GLY A 39 7.134 -10.510 3.302 1.00 0.00 C ATOM 570 O GLY A 39 7.784 -10.426 2.254 1.00 0.00 O ATOM 0 H GLY A 39 9.639 -10.060 3.736 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.535 -11.574 5.117 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.523 -9.830 5.295 1.00 0.00 H new ATOM 574 N ALA A 40 5.798 -10.490 3.338 1.00 0.00 N ATOM 575 CA ALA A 40 4.989 -10.367 2.123 1.00 0.00 C ATOM 576 C ALA A 40 5.412 -9.166 1.275 1.00 0.00 C ATOM 577 O ALA A 40 5.377 -9.230 0.047 1.00 0.00 O ATOM 578 CB ALA A 40 3.511 -10.264 2.475 1.00 0.00 C ATOM 0 H ALA A 40 5.254 -10.558 4.198 1.00 0.00 H new ATOM 0 HA ALA A 40 5.155 -11.267 1.530 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.925 -10.173 1.561 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.203 -11.158 3.016 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.346 -9.387 3.100 1.00 0.00 H new ATOM 584 N ALA A 41 5.810 -8.074 1.933 1.00 0.00 N ATOM 585 CA ALA A 41 6.238 -6.867 1.230 1.00 0.00 C ATOM 586 C ALA A 41 7.365 -7.180 0.245 1.00 0.00 C ATOM 587 O ALA A 41 7.244 -6.914 -0.953 1.00 0.00 O ATOM 588 CB ALA A 41 6.679 -5.800 2.222 1.00 0.00 C ATOM 0 H ALA A 41 5.844 -8.003 2.950 1.00 0.00 H new ATOM 0 HA ALA A 41 5.388 -6.485 0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.994 -4.908 1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.847 -5.550 2.881 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.511 -6.177 2.816 1.00 0.00 H new ATOM 594 N MET A 42 8.452 -7.761 0.753 1.00 0.00 N ATOM 595 CA MET A 42 9.590 -8.125 -0.091 1.00 0.00 C ATOM 596 C MET A 42 9.253 -9.335 -0.960 1.00 0.00 C ATOM 597 O MET A 42 9.649 -9.396 -2.124 1.00 0.00 O ATOM 598 CB MET A 42 10.824 -8.419 0.765 1.00 0.00 C ATOM 599 CG MET A 42 12.095 -8.617 -0.046 1.00 0.00 C ATOM 600 SD MET A 42 12.903 -7.058 -0.456 1.00 0.00 S ATOM 601 CE MET A 42 14.430 -7.647 -1.183 1.00 0.00 C ATOM 0 H MET A 42 8.568 -7.989 1.740 1.00 0.00 H new ATOM 0 HA MET A 42 9.811 -7.280 -0.743 1.00 0.00 H new ATOM 0 HB2 MET A 42 10.974 -7.597 1.465 1.00 0.00 H new ATOM 0 HB3 MET A 42 10.639 -9.314 1.359 1.00 0.00 H new ATOM 0 HG2 MET A 42 12.787 -9.244 0.516 1.00 0.00 H new ATOM 0 HG3 MET A 42 11.856 -9.151 -0.965 1.00 0.00 H new ATOM 0 HE1 MET A 42 15.040 -6.796 -1.488 1.00 0.00 H new ATOM 0 HE2 MET A 42 14.976 -8.241 -0.450 1.00 0.00 H new ATOM 0 HE3 MET A 42 14.205 -8.263 -2.054 1.00 0.00 H new ATOM 611 N ARG A 43 8.517 -10.296 -0.391 1.00 0.00 N ATOM 612 CA ARG A 43 8.128 -11.498 -1.128 1.00 0.00 C ATOM 613 C ARG A 43 7.289 -11.143 -2.360 1.00 0.00 C ATOM 614 O ARG A 43 7.392 -11.800 -3.395 1.00 0.00 O ATOM 615 CB ARG A 43 7.350 -12.457 -0.222 1.00 0.00 C ATOM 616 CG ARG A 43 8.222 -13.516 0.437 1.00 0.00 C ATOM 617 CD ARG A 43 7.885 -13.682 1.911 1.00 0.00 C ATOM 618 NE ARG A 43 9.084 -13.724 2.747 1.00 0.00 N ATOM 619 CZ ARG A 43 9.863 -14.800 2.890 1.00 0.00 C ATOM 620 NH1 ARG A 43 9.578 -15.933 2.250 1.00 0.00 N ATOM 621 NH2 ARG A 43 10.932 -14.742 3.676 1.00 0.00 N ATOM 0 H ARG A 43 8.182 -10.263 0.572 1.00 0.00 H new ATOM 0 HA ARG A 43 9.040 -11.991 -1.464 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.844 -11.881 0.553 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.575 -12.950 -0.809 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.089 -14.468 -0.076 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.271 -13.241 0.332 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.248 -12.858 2.232 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.313 -14.600 2.051 1.00 0.00 H new ATOM 0 HE ARG A 43 9.342 -12.877 3.254 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.759 -15.984 1.644 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.179 -16.749 2.366 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.156 -13.878 4.169 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.528 -15.562 3.787 1.00 0.00 H new ATOM 635 N ALA A 44 6.462 -10.102 -2.244 1.00 0.00 N ATOM 636 CA ALA A 44 5.612 -9.667 -3.354 1.00 0.00 C ATOM 637 C ALA A 44 6.413 -8.931 -4.435 1.00 0.00 C ATOM 638 O ALA A 44 5.926 -8.745 -5.551 1.00 0.00 O ATOM 639 CB ALA A 44 4.491 -8.775 -2.840 1.00 0.00 C ATOM 0 H ALA A 44 6.363 -9.546 -1.395 1.00 0.00 H new ATOM 0 HA ALA A 44 5.186 -10.561 -3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.866 -8.458 -3.675 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.885 -9.329 -2.123 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.918 -7.898 -2.353 1.00 0.00 H new ATOM 645 N GLY A 45 7.636 -8.515 -4.102 1.00 0.00 N ATOM 646 CA GLY A 45 8.471 -7.807 -5.060 1.00 0.00 C ATOM 647 C GLY A 45 8.484 -6.302 -4.839 1.00 0.00 C ATOM 648 O GLY A 45 8.692 -5.538 -5.783 1.00 0.00 O ATOM 0 H GLY A 45 8.062 -8.656 -3.186 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.491 -8.187 -4.995 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.116 -8.018 -6.069 1.00 0.00 H new ATOM 652 N VAL A 46 8.269 -5.875 -3.592 1.00 0.00 N ATOM 653 CA VAL A 46 8.266 -4.452 -3.262 1.00 0.00 C ATOM 654 C VAL A 46 9.641 -4.013 -2.763 1.00 0.00 C ATOM 655 O VAL A 46 10.296 -4.736 -2.012 1.00 0.00 O ATOM 656 CB VAL A 46 7.205 -4.112 -2.188 1.00 0.00 C ATOM 657 CG1 VAL A 46 7.054 -2.605 -2.044 1.00 0.00 C ATOM 658 CG2 VAL A 46 5.866 -4.752 -2.526 1.00 0.00 C ATOM 0 H VAL A 46 8.096 -6.493 -2.799 1.00 0.00 H new ATOM 0 HA VAL A 46 8.016 -3.915 -4.177 1.00 0.00 H new ATOM 0 HB VAL A 46 7.545 -4.518 -1.235 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.304 -2.385 -1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.009 -2.170 -1.747 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.741 -2.178 -2.997 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.137 -4.498 -1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.519 -4.382 -3.491 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.982 -5.835 -2.573 1.00 0.00 H new ATOM 668 N GLN A 47 10.071 -2.826 -3.190 1.00 0.00 N ATOM 669 CA GLN A 47 11.369 -2.288 -2.789 1.00 0.00 C ATOM 670 C GLN A 47 11.204 -1.053 -1.907 1.00 0.00 C ATOM 671 O GLN A 47 10.106 -0.507 -1.779 1.00 0.00 O ATOM 672 CB GLN A 47 12.203 -1.938 -4.029 1.00 0.00 C ATOM 673 CG GLN A 47 13.294 -2.953 -4.340 1.00 0.00 C ATOM 674 CD GLN A 47 13.552 -3.094 -5.828 1.00 0.00 C ATOM 675 OE1 GLN A 47 13.026 -3.997 -6.478 1.00 0.00 O ATOM 676 NE2 GLN A 47 14.369 -2.201 -6.378 1.00 0.00 N ATOM 0 H GLN A 47 9.539 -2.219 -3.814 1.00 0.00 H new ATOM 0 HA GLN A 47 11.887 -3.053 -2.212 1.00 0.00 H new ATOM 0 HB2 GLN A 47 11.540 -1.855 -4.890 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.660 -0.959 -3.884 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.216 -2.654 -3.842 1.00 0.00 H new ATOM 0 HG3 GLN A 47 13.011 -3.923 -3.931 1.00 0.00 H new ATOM 0 HE21 GLN A 47 14.784 -1.468 -5.803 1.00 0.00 H new ATOM 0 HE22 GLN A 47 14.580 -2.249 -7.375 1.00 0.00 H new ATOM 685 N THR A 48 12.308 -0.614 -1.303 1.00 0.00 N ATOM 686 CA THR A 48 12.298 0.561 -0.435 1.00 0.00 C ATOM 687 C THR A 48 12.327 1.842 -1.269 1.00 0.00 C ATOM 688 O THR A 48 13.292 2.097 -1.995 1.00 0.00 O ATOM 689 CB THR A 48 13.495 0.527 0.521 1.00 0.00 C ATOM 690 OG1 THR A 48 13.487 -0.661 1.297 1.00 0.00 O ATOM 691 CG2 THR A 48 13.541 1.700 1.479 1.00 0.00 C ATOM 0 H THR A 48 13.222 -1.056 -1.400 1.00 0.00 H new ATOM 0 HA THR A 48 11.380 0.548 0.152 1.00 0.00 H new ATOM 0 HB THR A 48 14.373 0.574 -0.123 1.00 0.00 H new ATOM 0 HG1 THR A 48 14.260 -0.664 1.899 1.00 0.00 H new ATOM 0 HG21 THR A 48 14.415 1.609 2.124 1.00 0.00 H new ATOM 0 HG22 THR A 48 13.604 2.630 0.913 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.638 1.707 2.089 1.00 0.00 H new ATOM 699 N GLY A 49 11.265 2.639 -1.161 1.00 0.00 N ATOM 700 CA GLY A 49 11.181 3.880 -1.911 1.00 0.00 C ATOM 701 C GLY A 49 10.474 3.709 -3.243 1.00 0.00 C ATOM 702 O GLY A 49 11.100 3.807 -4.300 1.00 0.00 O ATOM 0 H GLY A 49 10.460 2.445 -0.565 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.652 4.625 -1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.186 4.265 -2.084 1.00 0.00 H new ATOM 706 N ASP A 50 9.166 3.459 -3.189 1.00 0.00 N ATOM 707 CA ASP A 50 8.362 3.276 -4.398 1.00 0.00 C ATOM 708 C ASP A 50 7.246 4.317 -4.465 1.00 0.00 C ATOM 709 O ASP A 50 6.948 4.977 -3.472 1.00 0.00 O ATOM 710 CB ASP A 50 7.769 1.864 -4.434 1.00 0.00 C ATOM 711 CG ASP A 50 8.598 0.911 -5.273 1.00 0.00 C ATOM 712 OD1 ASP A 50 8.520 0.995 -6.518 1.00 0.00 O ATOM 713 OD2 ASP A 50 9.326 0.081 -4.686 1.00 0.00 O ATOM 0 H ASP A 50 8.639 3.378 -2.319 1.00 0.00 H new ATOM 0 HA ASP A 50 9.011 3.408 -5.264 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.694 1.478 -3.417 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.756 1.908 -4.833 1.00 0.00 H new ATOM 718 N ARG A 51 6.634 4.468 -5.639 1.00 0.00 N ATOM 719 CA ARG A 51 5.554 5.441 -5.819 1.00 0.00 C ATOM 720 C ARG A 51 4.220 4.745 -6.104 1.00 0.00 C ATOM 721 O ARG A 51 3.820 4.608 -7.261 1.00 0.00 O ATOM 722 CB ARG A 51 5.888 6.409 -6.961 1.00 0.00 C ATOM 723 CG ARG A 51 7.147 7.231 -6.730 1.00 0.00 C ATOM 724 CD ARG A 51 6.832 8.717 -6.619 1.00 0.00 C ATOM 725 NE ARG A 51 6.700 9.352 -7.932 1.00 0.00 N ATOM 726 CZ ARG A 51 7.735 9.730 -8.692 1.00 0.00 C ATOM 727 NH1 ARG A 51 8.984 9.546 -8.273 1.00 0.00 N ATOM 728 NH2 ARG A 51 7.517 10.293 -9.876 1.00 0.00 N ATOM 0 H ARG A 51 6.865 3.933 -6.476 1.00 0.00 H new ATOM 0 HA ARG A 51 5.457 6.002 -4.890 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.003 5.840 -7.884 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.046 7.086 -7.107 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.641 6.894 -5.819 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.846 7.067 -7.550 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.907 8.850 -6.058 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.621 9.213 -6.055 1.00 0.00 H new ATOM 0 HE ARG A 51 5.759 9.517 -8.290 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.159 9.114 -7.366 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.767 9.837 -8.859 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.562 10.437 -10.204 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.305 10.582 -10.456 1.00 0.00 H new ATOM 742 N ILE A 52 3.530 4.314 -5.047 1.00 0.00 N ATOM 743 CA ILE A 52 2.240 3.641 -5.205 1.00 0.00 C ATOM 744 C ILE A 52 1.154 4.634 -5.634 1.00 0.00 C ATOM 745 O ILE A 52 0.875 5.620 -4.944 1.00 0.00 O ATOM 746 CB ILE A 52 1.813 2.885 -3.918 1.00 0.00 C ATOM 747 CG1 ILE A 52 0.423 2.247 -4.091 1.00 0.00 C ATOM 748 CG2 ILE A 52 1.857 3.797 -2.700 1.00 0.00 C ATOM 749 CD1 ILE A 52 -0.739 3.190 -3.844 1.00 0.00 C ATOM 0 H ILE A 52 3.839 4.418 -4.081 1.00 0.00 H new ATOM 0 HA ILE A 52 2.362 2.897 -5.992 1.00 0.00 H new ATOM 0 HB ILE A 52 2.530 2.081 -3.749 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.343 1.850 -5.103 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.339 1.401 -3.409 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.553 3.238 -1.815 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.872 4.171 -2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.178 4.637 -2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.678 2.656 -3.988 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.690 3.568 -2.823 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.685 4.025 -4.543 1.00 0.00 H new ATOM 761 N ILE A 53 0.562 4.364 -6.796 1.00 0.00 N ATOM 762 CA ILE A 53 -0.481 5.216 -7.359 1.00 0.00 C ATOM 763 C ILE A 53 -1.875 4.601 -7.186 1.00 0.00 C ATOM 764 O ILE A 53 -2.852 5.325 -6.983 1.00 0.00 O ATOM 765 CB ILE A 53 -0.225 5.478 -8.861 1.00 0.00 C ATOM 766 CG1 ILE A 53 1.164 6.095 -9.071 1.00 0.00 C ATOM 767 CG2 ILE A 53 -1.303 6.381 -9.443 1.00 0.00 C ATOM 768 CD1 ILE A 53 1.690 5.937 -10.482 1.00 0.00 C ATOM 0 H ILE A 53 0.791 3.553 -7.370 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.448 6.158 -6.812 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.261 4.522 -9.384 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.122 7.156 -8.824 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.866 5.634 -8.377 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.103 6.552 -10.501 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.277 5.904 -9.331 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.303 7.335 -8.915 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.676 6.397 -10.557 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.765 4.877 -10.726 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.009 6.423 -11.181 1.00 0.00 H new ATOM 780 N LYS A 54 -1.971 3.270 -7.279 1.00 0.00 N ATOM 781 CA LYS A 54 -3.264 2.590 -7.142 1.00 0.00 C ATOM 782 C LYS A 54 -3.158 1.345 -6.259 1.00 0.00 C ATOM 783 O LYS A 54 -2.070 0.804 -6.060 1.00 0.00 O ATOM 784 CB LYS A 54 -3.813 2.191 -8.520 1.00 0.00 C ATOM 785 CG LYS A 54 -3.543 3.206 -9.624 1.00 0.00 C ATOM 786 CD LYS A 54 -3.612 2.559 -11.000 1.00 0.00 C ATOM 787 CE LYS A 54 -5.040 2.188 -11.373 1.00 0.00 C ATOM 788 NZ LYS A 54 -5.676 3.202 -12.262 1.00 0.00 N ATOM 0 H LYS A 54 -1.180 2.649 -7.446 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.947 3.293 -6.666 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.377 1.235 -8.808 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.889 2.039 -8.439 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.271 4.015 -9.563 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.559 3.652 -9.478 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.207 3.243 -11.745 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.988 1.666 -11.014 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.042 1.219 -11.872 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.634 2.081 -10.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.647 2.905 -12.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.699 4.122 -11.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.126 3.287 -13.141 1.00 0.00 H new ATOM 802 N VAL A 55 -4.305 0.893 -5.740 1.00 0.00 N ATOM 803 CA VAL A 55 -4.357 -0.295 -4.887 1.00 0.00 C ATOM 804 C VAL A 55 -5.623 -1.106 -5.166 1.00 0.00 C ATOM 805 O VAL A 55 -6.733 -0.682 -4.836 1.00 0.00 O ATOM 806 CB VAL A 55 -4.294 0.061 -3.383 1.00 0.00 C ATOM 807 CG1 VAL A 55 -2.875 0.445 -2.989 1.00 0.00 C ATOM 808 CG2 VAL A 55 -5.274 1.176 -3.039 1.00 0.00 C ATOM 0 H VAL A 55 -5.211 1.335 -5.898 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.478 -0.893 -5.129 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.585 -0.821 -2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.846 0.693 -1.928 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.204 -0.392 -3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.557 1.309 -3.572 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.207 1.404 -1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.029 2.067 -3.617 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.288 0.856 -3.278 1.00 0.00 H new ATOM 818 N ASN A 56 -5.441 -2.275 -5.789 1.00 0.00 N ATOM 819 CA ASN A 56 -6.553 -3.165 -6.135 1.00 0.00 C ATOM 820 C ASN A 56 -7.561 -2.465 -7.052 1.00 0.00 C ATOM 821 O ASN A 56 -8.769 -2.695 -6.957 1.00 0.00 O ATOM 822 CB ASN A 56 -7.248 -3.672 -4.862 1.00 0.00 C ATOM 823 CG ASN A 56 -6.954 -5.136 -4.578 1.00 0.00 C ATOM 824 OD1 ASN A 56 -5.954 -5.687 -5.045 1.00 0.00 O ATOM 825 ND2 ASN A 56 -7.827 -5.778 -3.807 1.00 0.00 N ATOM 0 H ASN A 56 -4.525 -2.629 -6.066 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.144 -4.018 -6.677 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.926 -3.069 -4.013 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.325 -3.534 -4.961 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.682 -6.762 -3.582 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.642 -5.286 -3.440 1.00 0.00 H new ATOM 832 N GLY A 57 -7.059 -1.600 -7.938 1.00 0.00 N ATOM 833 CA GLY A 57 -7.931 -0.875 -8.846 1.00 0.00 C ATOM 834 C GLY A 57 -8.375 0.459 -8.271 1.00 0.00 C ATOM 835 O GLY A 57 -8.373 1.475 -8.970 1.00 0.00 O ATOM 0 H GLY A 57 -6.066 -1.391 -8.040 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.412 -0.707 -9.790 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.808 -1.483 -9.068 1.00 0.00 H new ATOM 839 N THR A 58 -8.746 0.455 -6.988 1.00 0.00 N ATOM 840 CA THR A 58 -9.185 1.667 -6.303 1.00 0.00 C ATOM 841 C THR A 58 -8.019 2.641 -6.150 1.00 0.00 C ATOM 842 O THR A 58 -7.089 2.398 -5.377 1.00 0.00 O ATOM 843 CB THR A 58 -9.778 1.319 -4.932 1.00 0.00 C ATOM 844 OG1 THR A 58 -10.649 0.203 -5.029 1.00 0.00 O ATOM 845 CG2 THR A 58 -10.561 2.453 -4.301 1.00 0.00 C ATOM 0 H THR A 58 -8.750 -0.380 -6.403 1.00 0.00 H new ATOM 0 HA THR A 58 -9.959 2.146 -6.903 1.00 0.00 H new ATOM 0 HB THR A 58 -8.917 1.101 -4.300 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.500 0.413 -4.591 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.950 2.133 -3.334 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.907 3.314 -4.162 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.390 2.729 -4.952 1.00 0.00 H new ATOM 853 N LEU A 59 -8.072 3.736 -6.904 1.00 0.00 N ATOM 854 CA LEU A 59 -7.020 4.750 -6.867 1.00 0.00 C ATOM 855 C LEU A 59 -6.925 5.390 -5.489 1.00 0.00 C ATOM 856 O LEU A 59 -7.933 5.546 -4.795 1.00 0.00 O ATOM 857 CB LEU A 59 -7.280 5.833 -7.920 1.00 0.00 C ATOM 858 CG LEU A 59 -7.161 5.370 -9.375 1.00 0.00 C ATOM 859 CD1 LEU A 59 -8.501 4.860 -9.887 1.00 0.00 C ATOM 860 CD2 LEU A 59 -6.646 6.501 -10.254 1.00 0.00 C ATOM 0 H LEU A 59 -8.834 3.945 -7.550 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.074 4.255 -7.088 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.281 6.236 -7.764 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.578 6.651 -7.757 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.445 4.549 -9.417 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.395 4.536 -10.922 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.828 4.019 -9.275 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.240 5.659 -9.831 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.568 6.154 -11.284 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.337 7.343 -10.206 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.664 6.817 -9.902 1.00 0.00 H new ATOM 872 N VAL A 60 -5.712 5.777 -5.101 1.00 0.00 N ATOM 873 CA VAL A 60 -5.494 6.419 -3.808 1.00 0.00 C ATOM 874 C VAL A 60 -5.598 7.944 -3.926 1.00 0.00 C ATOM 875 O VAL A 60 -4.955 8.681 -3.174 1.00 0.00 O ATOM 876 CB VAL A 60 -4.126 6.040 -3.194 1.00 0.00 C ATOM 877 CG1 VAL A 60 -4.140 4.600 -2.705 1.00 0.00 C ATOM 878 CG2 VAL A 60 -2.995 6.265 -4.189 1.00 0.00 C ATOM 0 H VAL A 60 -4.868 5.658 -5.661 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.278 6.055 -3.144 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.948 6.691 -2.338 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.169 4.352 -2.276 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.913 4.481 -1.946 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.348 3.934 -3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.046 5.990 -3.729 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.161 5.650 -5.074 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.968 7.316 -4.477 1.00 0.00 H new ATOM 888 N THR A 61 -6.422 8.411 -4.869 1.00 0.00 N ATOM 889 CA THR A 61 -6.624 9.842 -5.082 1.00 0.00 C ATOM 890 C THR A 61 -8.076 10.237 -4.783 1.00 0.00 C ATOM 891 O THR A 61 -8.603 11.190 -5.362 1.00 0.00 O ATOM 892 CB THR A 61 -6.261 10.220 -6.525 1.00 0.00 C ATOM 893 OG1 THR A 61 -7.130 9.584 -7.447 1.00 0.00 O ATOM 894 CG2 THR A 61 -4.841 9.855 -6.911 1.00 0.00 C ATOM 0 H THR A 61 -6.960 7.814 -5.497 1.00 0.00 H new ATOM 0 HA THR A 61 -5.972 10.385 -4.398 1.00 0.00 H new ATOM 0 HB THR A 61 -6.362 11.305 -6.566 1.00 0.00 H new ATOM 0 HG1 THR A 61 -6.882 9.840 -8.360 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.657 10.152 -7.943 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.141 10.372 -6.254 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.703 8.778 -6.813 1.00 0.00 H new ATOM 902 N HIS A 62 -8.714 9.493 -3.877 1.00 0.00 N ATOM 903 CA HIS A 62 -10.102 9.753 -3.494 1.00 0.00 C ATOM 904 C HIS A 62 -10.386 9.228 -2.085 1.00 0.00 C ATOM 905 O HIS A 62 -10.923 9.949 -1.244 1.00 0.00 O ATOM 906 CB HIS A 62 -11.062 9.101 -4.498 1.00 0.00 C ATOM 907 CG HIS A 62 -12.054 10.053 -5.091 1.00 0.00 C ATOM 908 ND1 HIS A 62 -11.829 10.744 -6.264 1.00 0.00 N ATOM 909 CD2 HIS A 62 -13.289 10.420 -4.671 1.00 0.00 C ATOM 910 CE1 HIS A 62 -12.883 11.493 -6.541 1.00 0.00 C ATOM 911 NE2 HIS A 62 -13.781 11.313 -5.591 1.00 0.00 N ATOM 0 H HIS A 62 -8.288 8.702 -3.393 1.00 0.00 H new ATOM 0 HA HIS A 62 -10.259 10.832 -3.499 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -10.481 8.649 -5.302 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -11.600 8.294 -4.001 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -13.792 10.075 -3.780 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -12.990 12.141 -7.398 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -14.694 11.765 -5.547 1.00 0.00 H new ATOM 920 N SER A 63 -10.019 7.967 -1.837 1.00 0.00 N ATOM 921 CA SER A 63 -10.230 7.337 -0.532 1.00 0.00 C ATOM 922 C SER A 63 -9.373 8.001 0.547 1.00 0.00 C ATOM 923 O SER A 63 -8.219 8.360 0.303 1.00 0.00 O ATOM 924 CB SER A 63 -9.905 5.841 -0.609 1.00 0.00 C ATOM 925 OG SER A 63 -10.398 5.270 -1.810 1.00 0.00 O ATOM 0 H SER A 63 -9.573 7.361 -2.526 1.00 0.00 H new ATOM 0 HA SER A 63 -11.278 7.465 -0.262 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.826 5.697 -0.551 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.342 5.327 0.247 1.00 0.00 H new ATOM 0 HG SER A 63 -10.175 4.316 -1.834 1.00 0.00 H new ATOM 931 N ASN A 64 -9.947 8.159 1.742 1.00 0.00 N ATOM 932 CA ASN A 64 -9.244 8.779 2.867 1.00 0.00 C ATOM 933 C ASN A 64 -8.199 7.831 3.460 1.00 0.00 C ATOM 934 O ASN A 64 -8.000 6.723 2.959 1.00 0.00 O ATOM 935 CB ASN A 64 -10.245 9.202 3.949 1.00 0.00 C ATOM 936 CG ASN A 64 -11.230 10.245 3.451 1.00 0.00 C ATOM 937 OD1 ASN A 64 -12.406 9.952 3.243 1.00 0.00 O ATOM 938 ND2 ASN A 64 -10.753 11.471 3.250 1.00 0.00 N ATOM 0 H ASN A 64 -10.900 7.865 1.956 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.726 9.662 2.493 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.793 8.326 4.296 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.702 9.599 4.807 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.370 12.209 2.911 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.770 11.673 3.435 1.00 0.00 H new ATOM 945 N HIS A 65 -7.529 8.275 4.528 1.00 0.00 N ATOM 946 CA HIS A 65 -6.502 7.465 5.186 1.00 0.00 C ATOM 947 C HIS A 65 -7.081 6.127 5.651 1.00 0.00 C ATOM 948 O HIS A 65 -6.697 5.073 5.150 1.00 0.00 O ATOM 949 CB HIS A 65 -5.896 8.238 6.364 1.00 0.00 C ATOM 950 CG HIS A 65 -4.941 7.437 7.192 1.00 0.00 C ATOM 951 ND1 HIS A 65 -5.350 6.521 8.137 1.00 0.00 N ATOM 952 CD2 HIS A 65 -3.588 7.423 7.217 1.00 0.00 C ATOM 953 CE1 HIS A 65 -4.293 5.977 8.706 1.00 0.00 C ATOM 954 NE2 HIS A 65 -3.209 6.507 8.166 1.00 0.00 N ATOM 0 H HIS A 65 -7.680 9.189 4.954 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.711 7.254 4.467 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.379 9.117 5.980 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -6.703 8.596 7.003 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -2.929 8.021 6.605 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.310 5.226 9.482 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -2.248 6.273 8.414 1.00 0.00 H new ATOM 963 N LEU A 66 -8.015 6.178 6.601 1.00 0.00 N ATOM 964 CA LEU A 66 -8.653 4.962 7.115 1.00 0.00 C ATOM 965 C LEU A 66 -9.341 4.185 5.986 1.00 0.00 C ATOM 966 O LEU A 66 -9.444 2.958 6.043 1.00 0.00 O ATOM 967 CB LEU A 66 -9.675 5.310 8.205 1.00 0.00 C ATOM 968 CG LEU A 66 -9.861 4.240 9.289 1.00 0.00 C ATOM 969 CD1 LEU A 66 -8.808 4.386 10.378 1.00 0.00 C ATOM 970 CD2 LEU A 66 -11.262 4.318 9.883 1.00 0.00 C ATOM 0 H LEU A 66 -8.346 7.042 7.029 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.874 4.333 7.546 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.370 6.241 8.684 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.639 5.496 7.731 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.738 3.261 8.826 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.959 3.617 11.136 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.815 4.275 9.942 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.894 5.371 10.838 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -11.375 3.552 10.650 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.414 5.301 10.328 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -12.000 4.157 9.097 1.00 0.00 H new ATOM 982 N GLU A 67 -9.807 4.907 4.961 1.00 0.00 N ATOM 983 CA GLU A 67 -10.481 4.289 3.820 1.00 0.00 C ATOM 984 C GLU A 67 -9.552 3.322 3.085 1.00 0.00 C ATOM 985 O GLU A 67 -9.889 2.151 2.900 1.00 0.00 O ATOM 986 CB GLU A 67 -10.987 5.361 2.850 1.00 0.00 C ATOM 987 CG GLU A 67 -12.172 4.912 2.008 1.00 0.00 C ATOM 988 CD GLU A 67 -13.486 5.012 2.758 1.00 0.00 C ATOM 989 OE1 GLU A 67 -14.056 6.121 2.809 1.00 0.00 O ATOM 990 OE2 GLU A 67 -13.940 3.981 3.299 1.00 0.00 O ATOM 0 H GLU A 67 -9.728 5.922 4.901 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.331 3.725 4.204 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.271 6.247 3.417 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.172 5.654 2.188 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.225 5.521 1.106 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.017 3.882 1.688 1.00 0.00 H new ATOM 997 N VAL A 68 -8.383 3.816 2.666 1.00 0.00 N ATOM 998 CA VAL A 68 -7.412 2.985 1.953 1.00 0.00 C ATOM 999 C VAL A 68 -6.996 1.783 2.802 1.00 0.00 C ATOM 1000 O VAL A 68 -6.838 0.677 2.283 1.00 0.00 O ATOM 1001 CB VAL A 68 -6.158 3.789 1.521 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -5.426 4.380 2.720 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -5.218 2.919 0.696 1.00 0.00 C ATOM 0 H VAL A 68 -8.088 4.782 2.808 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.906 2.630 1.049 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.499 4.619 0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.554 4.936 2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.094 5.051 3.260 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.106 3.576 3.383 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.345 3.503 0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.899 2.063 1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.736 2.569 -0.197 1.00 0.00 H new ATOM 1013 N VAL A 69 -6.841 2.003 4.111 1.00 0.00 N ATOM 1014 CA VAL A 69 -6.464 0.930 5.028 1.00 0.00 C ATOM 1015 C VAL A 69 -7.536 -0.158 5.044 1.00 0.00 C ATOM 1016 O VAL A 69 -7.231 -1.344 4.908 1.00 0.00 O ATOM 1017 CB VAL A 69 -6.250 1.448 6.471 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -5.663 0.355 7.353 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -5.358 2.683 6.482 1.00 0.00 C ATOM 0 H VAL A 69 -6.971 2.912 4.556 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.521 0.520 4.666 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.222 1.731 6.874 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.520 0.740 8.363 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.345 -0.495 7.381 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.703 0.036 6.947 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.224 3.026 7.508 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.387 2.435 6.053 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.823 3.473 5.893 1.00 0.00 H new ATOM 1029 N LYS A 70 -8.795 0.259 5.199 1.00 0.00 N ATOM 1030 CA LYS A 70 -9.920 -0.677 5.221 1.00 0.00 C ATOM 1031 C LYS A 70 -9.977 -1.490 3.928 1.00 0.00 C ATOM 1032 O LYS A 70 -10.236 -2.692 3.960 1.00 0.00 O ATOM 1033 CB LYS A 70 -11.241 0.075 5.429 1.00 0.00 C ATOM 1034 CG LYS A 70 -12.430 -0.837 5.707 1.00 0.00 C ATOM 1035 CD LYS A 70 -13.533 -0.114 6.469 1.00 0.00 C ATOM 1036 CE LYS A 70 -14.903 -0.378 5.858 1.00 0.00 C ATOM 1037 NZ LYS A 70 -15.974 0.425 6.516 1.00 0.00 N ATOM 0 H LYS A 70 -9.060 1.238 5.311 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.771 -1.364 6.054 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.126 0.770 6.261 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.452 0.672 4.542 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.827 -1.214 4.764 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.098 -1.702 6.282 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.530 -0.438 7.510 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.334 0.958 6.468 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.876 -0.143 4.794 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.140 -1.438 5.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.889 0.215 6.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.018 0.183 7.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.762 1.438 6.411 1.00 0.00 H new ATOM 1051 N LEU A 71 -9.733 -0.830 2.792 1.00 0.00 N ATOM 1052 CA LEU A 71 -9.759 -1.506 1.496 1.00 0.00 C ATOM 1053 C LEU A 71 -8.662 -2.566 1.408 1.00 0.00 C ATOM 1054 O LEU A 71 -8.922 -3.701 1.010 1.00 0.00 O ATOM 1055 CB LEU A 71 -9.607 -0.496 0.351 1.00 0.00 C ATOM 1056 CG LEU A 71 -10.908 -0.143 -0.377 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -11.522 1.122 0.208 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -10.658 0.018 -1.872 1.00 0.00 C ATOM 0 H LEU A 71 -9.517 0.166 2.745 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.726 -2.000 1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.171 0.420 0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.899 -0.896 -0.375 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.615 -0.961 -0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.445 1.357 -0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.740 0.966 1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.821 1.950 0.100 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.593 0.269 -2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.934 0.816 -2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.268 -0.915 -2.278 1.00 0.00 H new ATOM 1070 N ILE A 72 -7.439 -2.194 1.789 1.00 0.00 N ATOM 1071 CA ILE A 72 -6.312 -3.128 1.757 1.00 0.00 C ATOM 1072 C ILE A 72 -6.516 -4.249 2.776 1.00 0.00 C ATOM 1073 O ILE A 72 -6.256 -5.419 2.485 1.00 0.00 O ATOM 1074 CB ILE A 72 -4.966 -2.416 2.038 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -4.776 -1.220 1.099 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -3.804 -3.391 1.891 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -3.929 -0.111 1.692 1.00 0.00 C ATOM 0 H ILE A 72 -7.204 -1.259 2.121 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.273 -3.549 0.752 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.986 -2.048 3.064 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.313 -1.565 0.174 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.754 -0.817 0.835 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.866 -2.873 2.092 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.925 -4.211 2.599 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.788 -3.788 0.876 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.838 0.702 0.972 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.401 0.261 2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.938 -0.498 1.930 1.00 0.00 H new ATOM 1089 N LYS A 73 -6.990 -3.887 3.969 1.00 0.00 N ATOM 1090 CA LYS A 73 -7.236 -4.863 5.029 1.00 0.00 C ATOM 1091 C LYS A 73 -8.394 -5.797 4.668 1.00 0.00 C ATOM 1092 O LYS A 73 -8.440 -6.938 5.131 1.00 0.00 O ATOM 1093 CB LYS A 73 -7.536 -4.153 6.351 1.00 0.00 C ATOM 1094 CG LYS A 73 -6.303 -3.588 7.040 1.00 0.00 C ATOM 1095 CD LYS A 73 -6.678 -2.814 8.292 1.00 0.00 C ATOM 1096 CE LYS A 73 -5.444 -2.402 9.080 1.00 0.00 C ATOM 1097 NZ LYS A 73 -5.335 -3.135 10.372 1.00 0.00 N ATOM 0 H LYS A 73 -7.211 -2.925 4.224 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.333 -5.463 5.141 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.240 -3.342 6.165 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.028 -4.854 7.025 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.625 -4.401 7.301 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.767 -2.934 6.352 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.248 -1.927 8.016 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.325 -3.426 8.920 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.553 -2.589 8.481 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.479 -1.330 9.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.481 -2.824 10.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -6.173 -2.937 10.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.275 -4.157 10.187 1.00 0.00 H new ATOM 1111 N SER A 74 -9.330 -5.310 3.847 1.00 0.00 N ATOM 1112 CA SER A 74 -10.485 -6.109 3.436 1.00 0.00 C ATOM 1113 C SER A 74 -10.085 -7.151 2.388 1.00 0.00 C ATOM 1114 O SER A 74 -10.473 -7.062 1.220 1.00 0.00 O ATOM 1115 CB SER A 74 -11.595 -5.206 2.893 1.00 0.00 C ATOM 1116 OG SER A 74 -12.814 -5.916 2.767 1.00 0.00 O ATOM 0 H SER A 74 -9.309 -4.368 3.456 1.00 0.00 H new ATOM 0 HA SER A 74 -10.861 -6.636 4.313 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.734 -4.354 3.559 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.301 -4.807 1.922 1.00 0.00 H new ATOM 0 HG SER A 74 -13.507 -5.317 2.420 1.00 0.00 H new ATOM 1122 N GLY A 75 -9.299 -8.135 2.820 1.00 0.00 N ATOM 1123 CA GLY A 75 -8.844 -9.184 1.923 1.00 0.00 C ATOM 1124 C GLY A 75 -7.488 -9.732 2.326 1.00 0.00 C ATOM 1125 O GLY A 75 -6.682 -9.018 2.926 1.00 0.00 O ATOM 0 H GLY A 75 -8.968 -8.224 3.781 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.573 -9.994 1.914 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.789 -8.793 0.907 1.00 0.00 H new ATOM 1129 N SER A 76 -7.232 -10.998 2.002 1.00 0.00 N ATOM 1130 CA SER A 76 -5.959 -11.628 2.342 1.00 0.00 C ATOM 1131 C SER A 76 -4.814 -11.014 1.537 1.00 0.00 C ATOM 1132 O SER A 76 -3.862 -10.478 2.108 1.00 0.00 O ATOM 1133 CB SER A 76 -6.024 -13.139 2.104 1.00 0.00 C ATOM 1134 OG SER A 76 -6.524 -13.812 3.248 1.00 0.00 O ATOM 0 H SER A 76 -7.886 -11.605 1.507 1.00 0.00 H new ATOM 0 HA SER A 76 -5.768 -11.450 3.400 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.663 -13.349 1.246 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.030 -13.516 1.861 1.00 0.00 H new ATOM 0 HG SER A 76 -6.558 -14.775 3.072 1.00 0.00 H new ATOM 1140 N TYR A 77 -4.913 -11.090 0.212 1.00 0.00 N ATOM 1141 CA TYR A 77 -3.888 -10.536 -0.667 1.00 0.00 C ATOM 1142 C TYR A 77 -4.468 -9.443 -1.565 1.00 0.00 C ATOM 1143 O TYR A 77 -5.656 -9.467 -1.896 1.00 0.00 O ATOM 1144 CB TYR A 77 -3.261 -11.644 -1.520 1.00 0.00 C ATOM 1145 CG TYR A 77 -4.234 -12.316 -2.461 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -4.514 -11.770 -3.707 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -4.876 -13.492 -2.100 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -5.404 -12.378 -4.567 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -5.769 -14.107 -2.954 1.00 0.00 C ATOM 1150 CZ TYR A 77 -6.030 -13.546 -4.187 1.00 0.00 C ATOM 1151 OH TYR A 77 -6.921 -14.154 -5.040 1.00 0.00 O ATOM 0 H TYR A 77 -5.693 -11.530 -0.276 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.114 -10.090 -0.043 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.441 -11.222 -2.101 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.830 -12.397 -0.860 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.027 -10.854 -4.007 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.674 -13.933 -1.135 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.610 -11.941 -5.533 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.261 -15.022 -2.659 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.272 -14.967 -4.621 1.00 0.00 H new ATOM 1161 N VAL A 78 -3.623 -8.485 -1.953 1.00 0.00 N ATOM 1162 CA VAL A 78 -4.054 -7.381 -2.811 1.00 0.00 C ATOM 1163 C VAL A 78 -2.927 -6.892 -3.721 1.00 0.00 C ATOM 1164 O VAL A 78 -1.748 -6.946 -3.358 1.00 0.00 O ATOM 1165 CB VAL A 78 -4.580 -6.183 -1.988 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -5.866 -6.546 -1.263 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -3.525 -5.693 -1.005 1.00 0.00 C ATOM 0 H VAL A 78 -2.639 -8.452 -1.687 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.863 -7.779 -3.424 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.800 -5.370 -2.681 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.216 -5.687 -0.691 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.626 -6.832 -1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.679 -7.380 -0.587 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.920 -4.850 -0.438 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.263 -6.500 -0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.636 -5.378 -1.552 1.00 0.00 H new ATOM 1177 N ALA A 79 -3.307 -6.398 -4.899 1.00 0.00 N ATOM 1178 CA ALA A 79 -2.346 -5.877 -5.867 1.00 0.00 C ATOM 1179 C ALA A 79 -2.243 -4.358 -5.743 1.00 0.00 C ATOM 1180 O ALA A 79 -3.244 -3.684 -5.510 1.00 0.00 O ATOM 1181 CB ALA A 79 -2.744 -6.275 -7.280 1.00 0.00 C ATOM 0 H ALA A 79 -4.279 -6.348 -5.206 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.368 -6.308 -5.655 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.017 -5.878 -7.988 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.771 -7.362 -7.358 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.730 -5.871 -7.508 1.00 0.00 H new ATOM 1187 N LEU A 80 -1.033 -3.822 -5.884 1.00 0.00 N ATOM 1188 CA LEU A 80 -0.823 -2.381 -5.767 1.00 0.00 C ATOM 1189 C LEU A 80 -0.063 -1.815 -6.964 1.00 0.00 C ATOM 1190 O LEU A 80 1.074 -2.202 -7.232 1.00 0.00 O ATOM 1191 CB LEU A 80 -0.077 -2.056 -4.468 1.00 0.00 C ATOM 1192 CG LEU A 80 1.264 -2.771 -4.272 1.00 0.00 C ATOM 1193 CD1 LEU A 80 2.336 -1.784 -3.831 1.00 0.00 C ATOM 1194 CD2 LEU A 80 1.124 -3.891 -3.254 1.00 0.00 C ATOM 0 H LEU A 80 -0.188 -4.359 -6.078 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.805 -1.909 -5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.097 -0.981 -4.431 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.725 -2.303 -3.627 1.00 0.00 H new ATOM 0 HG LEU A 80 1.566 -3.205 -5.225 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.281 -2.310 -3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.455 -1.012 -4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.040 -1.323 -2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.085 -4.389 -3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.800 -3.477 -2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.386 -4.612 -3.605 1.00 0.00 H new ATOM 1206 N THR A 81 -0.702 -0.881 -7.670 1.00 0.00 N ATOM 1207 CA THR A 81 -0.091 -0.237 -8.828 1.00 0.00 C ATOM 1208 C THR A 81 0.843 0.880 -8.374 1.00 0.00 C ATOM 1209 O THR A 81 0.384 1.934 -7.921 1.00 0.00 O ATOM 1210 CB THR A 81 -1.165 0.334 -9.760 1.00 0.00 C ATOM 1211 OG1 THR A 81 -2.233 -0.585 -9.935 1.00 0.00 O ATOM 1212 CG2 THR A 81 -0.639 0.699 -11.134 1.00 0.00 C ATOM 0 H THR A 81 -1.645 -0.555 -7.457 1.00 0.00 H new ATOM 0 HA THR A 81 0.482 -0.987 -9.374 1.00 0.00 H new ATOM 0 HB THR A 81 -1.510 1.243 -9.268 1.00 0.00 H new ATOM 0 HG1 THR A 81 -2.631 -0.459 -10.822 1.00 0.00 H new ATOM 0 HG21 THR A 81 -1.452 1.097 -11.741 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.143 1.452 -11.036 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.229 -0.189 -11.614 1.00 0.00 H new ATOM 1220 N VAL A 82 2.148 0.638 -8.487 1.00 0.00 N ATOM 1221 CA VAL A 82 3.154 1.616 -8.080 1.00 0.00 C ATOM 1222 C VAL A 82 4.066 2.004 -9.245 1.00 0.00 C ATOM 1223 O VAL A 82 3.956 1.456 -10.342 1.00 0.00 O ATOM 1224 CB VAL A 82 4.019 1.080 -6.914 1.00 0.00 C ATOM 1225 CG1 VAL A 82 3.141 0.522 -5.805 1.00 0.00 C ATOM 1226 CG2 VAL A 82 5.000 0.023 -7.405 1.00 0.00 C ATOM 0 H VAL A 82 2.534 -0.230 -8.858 1.00 0.00 H new ATOM 0 HA VAL A 82 2.612 2.501 -7.747 1.00 0.00 H new ATOM 0 HB VAL A 82 4.593 1.914 -6.510 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.769 0.151 -4.995 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.489 1.309 -5.426 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.534 -0.294 -6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.596 -0.338 -6.567 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.449 -0.809 -7.843 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.658 0.459 -8.157 1.00 0.00 H new ATOM 1236 N GLN A 83 4.964 2.953 -8.992 1.00 0.00 N ATOM 1237 CA GLN A 83 5.903 3.424 -10.003 1.00 0.00 C ATOM 1238 C GLN A 83 7.287 3.622 -9.390 1.00 0.00 C ATOM 1239 O GLN A 83 7.409 4.000 -8.221 1.00 0.00 O ATOM 1240 CB GLN A 83 5.401 4.735 -10.617 1.00 0.00 C ATOM 1241 CG GLN A 83 6.283 5.264 -11.740 1.00 0.00 C ATOM 1242 CD GLN A 83 6.040 6.734 -12.035 1.00 0.00 C ATOM 1243 OE1 GLN A 83 5.994 7.563 -11.126 1.00 0.00 O ATOM 1244 NE2 GLN A 83 5.887 7.065 -13.313 1.00 0.00 N ATOM 0 H GLN A 83 5.060 3.413 -8.087 1.00 0.00 H new ATOM 0 HA GLN A 83 5.977 2.673 -10.790 1.00 0.00 H new ATOM 0 HB2 GLN A 83 4.392 4.583 -11.001 1.00 0.00 H new ATOM 0 HB3 GLN A 83 5.334 5.490 -9.834 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.330 5.120 -11.473 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.102 4.682 -12.643 1.00 0.00 H new ATOM 0 HE21 GLN A 83 5.932 6.346 -14.035 1.00 0.00 H new ATOM 0 HE22 GLN A 83 5.724 8.038 -13.572 1.00 0.00 H new ATOM 1253 N GLY A 84 8.327 3.366 -10.183 1.00 0.00 N ATOM 1254 CA GLY A 84 9.687 3.521 -9.698 1.00 0.00 C ATOM 1255 C GLY A 84 10.637 4.042 -10.764 1.00 0.00 C ATOM 1256 O GLY A 84 10.216 4.717 -11.704 1.00 0.00 O ATOM 0 H GLY A 84 8.250 3.054 -11.151 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.690 4.206 -8.850 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.049 2.560 -9.333 1.00 0.00 H new ATOM 1260 N ARG A 85 11.922 3.724 -10.611 1.00 0.00 N ATOM 1261 CA ARG A 85 12.945 4.154 -11.560 1.00 0.00 C ATOM 1262 C ARG A 85 14.041 3.095 -11.687 1.00 0.00 C ATOM 1263 O ARG A 85 14.331 2.381 -10.728 1.00 0.00 O ATOM 1264 CB ARG A 85 13.553 5.495 -11.124 1.00 0.00 C ATOM 1265 CG ARG A 85 14.162 5.468 -9.729 1.00 0.00 C ATOM 1266 CD ARG A 85 15.683 5.519 -9.780 1.00 0.00 C ATOM 1267 NE ARG A 85 16.257 6.020 -8.531 1.00 0.00 N ATOM 1268 CZ ARG A 85 16.176 7.291 -8.126 1.00 0.00 C ATOM 1269 NH1 ARG A 85 15.540 8.196 -8.867 1.00 0.00 N ATOM 1270 NH2 ARG A 85 16.732 7.657 -6.976 1.00 0.00 N ATOM 0 H ARG A 85 12.279 3.167 -9.835 1.00 0.00 H new ATOM 0 HA ARG A 85 12.473 4.284 -12.534 1.00 0.00 H new ATOM 0 HB2 ARG A 85 14.322 5.785 -11.840 1.00 0.00 H new ATOM 0 HB3 ARG A 85 12.780 6.262 -11.158 1.00 0.00 H new ATOM 0 HG2 ARG A 85 13.788 6.314 -9.152 1.00 0.00 H new ATOM 0 HG3 ARG A 85 13.845 4.563 -9.210 1.00 0.00 H new ATOM 0 HD2 ARG A 85 16.073 4.522 -9.983 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.997 6.158 -10.605 1.00 0.00 H new ATOM 0 HE ARG A 85 16.750 5.358 -7.932 1.00 0.00 H new ATOM 0 HH11 ARG A 85 15.110 7.921 -9.750 1.00 0.00 H new ATOM 0 HH12 ARG A 85 15.482 9.164 -8.551 1.00 0.00 H new ATOM 0 HH21 ARG A 85 17.220 6.968 -6.403 1.00 0.00 H new ATOM 0 HH22 ARG A 85 16.671 8.627 -6.666 1.00 0.00 H new ATOM 1284 N PRO A 86 14.664 2.981 -12.877 1.00 0.00 N ATOM 1285 CA PRO A 86 15.729 2.003 -13.121 1.00 0.00 C ATOM 1286 C PRO A 86 17.029 2.369 -12.402 1.00 0.00 C ATOM 1287 O PRO A 86 17.691 3.346 -12.760 1.00 0.00 O ATOM 1288 CB PRO A 86 15.919 2.053 -14.639 1.00 0.00 C ATOM 1289 CG PRO A 86 15.478 3.420 -15.031 1.00 0.00 C ATOM 1290 CD PRO A 86 14.379 3.797 -14.075 1.00 0.00 C ATOM 0 HA PRO A 86 15.468 1.013 -12.746 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.959 1.879 -14.914 1.00 0.00 H new ATOM 0 HB3 PRO A 86 15.325 1.287 -15.138 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.305 4.128 -14.972 1.00 0.00 H new ATOM 0 HG3 PRO A 86 15.120 3.433 -16.060 1.00 0.00 H new ATOM 0 HD2 PRO A 86 14.394 4.863 -13.847 1.00 0.00 H new ATOM 0 HD3 PRO A 86 13.395 3.574 -14.487 1.00 0.00 H new ATOM 1298 N PRO A 87 17.411 1.589 -11.371 1.00 0.00 N ATOM 1299 CA PRO A 87 18.636 1.840 -10.601 1.00 0.00 C ATOM 1300 C PRO A 87 19.898 1.545 -11.412 1.00 0.00 C ATOM 1301 O PRO A 87 20.216 0.385 -11.683 1.00 0.00 O ATOM 1302 CB PRO A 87 18.518 0.878 -9.415 1.00 0.00 C ATOM 1303 CG PRO A 87 17.641 -0.222 -9.902 1.00 0.00 C ATOM 1304 CD PRO A 87 16.682 0.405 -10.875 1.00 0.00 C ATOM 0 HA PRO A 87 18.726 2.885 -10.305 1.00 0.00 H new ATOM 0 HB2 PRO A 87 19.495 0.501 -9.113 1.00 0.00 H new ATOM 0 HB3 PRO A 87 18.085 1.373 -8.546 1.00 0.00 H new ATOM 0 HG2 PRO A 87 18.228 -1.004 -10.384 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.106 -0.689 -9.075 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.430 -0.279 -11.686 1.00 0.00 H new ATOM 0 HD3 PRO A 87 15.746 0.685 -10.391 1.00 0.00 H new ATOM 1312 N GLY A 88 20.607 2.604 -11.800 1.00 0.00 N ATOM 1313 CA GLY A 88 21.821 2.444 -12.581 1.00 0.00 C ATOM 1314 C GLY A 88 21.530 2.173 -14.045 1.00 0.00 C ATOM 1315 O GLY A 88 21.809 1.084 -14.548 1.00 0.00 O ATOM 0 H GLY A 88 20.361 3.571 -11.586 1.00 0.00 H new ATOM 0 HA2 GLY A 88 22.428 3.345 -12.494 1.00 0.00 H new ATOM 0 HA3 GLY A 88 22.409 1.623 -12.171 1.00 0.00 H new ATOM 1319 N SER A 89 20.964 3.168 -14.726 1.00 0.00 N ATOM 1320 CA SER A 89 20.628 3.044 -16.142 1.00 0.00 C ATOM 1321 C SER A 89 21.503 3.964 -16.998 1.00 0.00 C ATOM 1322 O SER A 89 21.771 3.605 -18.164 1.00 0.00 O ATOM 1323 CB SER A 89 19.141 3.359 -16.361 1.00 0.00 C ATOM 1324 OG SER A 89 18.885 4.754 -16.290 1.00 0.00 O ATOM 1325 OXT SER A 89 21.913 5.035 -16.497 1.00 0.00 O ATOM 0 H SER A 89 20.728 4.072 -14.317 1.00 0.00 H new ATOM 0 HA SER A 89 20.820 2.017 -16.451 1.00 0.00 H new ATOM 0 HB2 SER A 89 18.828 2.980 -17.334 1.00 0.00 H new ATOM 0 HB3 SER A 89 18.545 2.841 -15.610 1.00 0.00 H new ATOM 0 HG SER A 89 17.930 4.919 -16.435 1.00 0.00 H new TER 1331 SER A 89 ATOM 1332 N VAL B 90 3.162 18.157 9.910 1.00 0.00 N ATOM 1333 CA VAL B 90 4.247 17.751 8.973 1.00 0.00 C ATOM 1334 C VAL B 90 3.737 16.748 7.933 1.00 0.00 C ATOM 1335 O VAL B 90 4.009 16.894 6.740 1.00 0.00 O ATOM 1336 CB VAL B 90 5.449 17.138 9.734 1.00 0.00 C ATOM 1337 CG1 VAL B 90 6.646 16.955 8.811 1.00 0.00 C ATOM 1338 CG2 VAL B 90 5.827 18.004 10.928 1.00 0.00 C ATOM 0 HA VAL B 90 4.578 18.654 8.460 1.00 0.00 H new ATOM 0 HB VAL B 90 5.148 16.156 10.099 1.00 0.00 H new ATOM 0 HG11 VAL B 90 7.475 16.523 9.372 1.00 0.00 H new ATOM 0 HG12 VAL B 90 6.375 16.288 7.992 1.00 0.00 H new ATOM 0 HG13 VAL B 90 6.946 17.922 8.408 1.00 0.00 H new ATOM 0 HG21 VAL B 90 6.673 17.556 11.449 1.00 0.00 H new ATOM 0 HG22 VAL B 90 6.100 19.001 10.582 1.00 0.00 H new ATOM 0 HG23 VAL B 90 4.979 18.076 11.609 1.00 0.00 H new ATOM 1350 N GLU B 91 2.991 15.737 8.390 1.00 0.00 N ATOM 1351 CA GLU B 91 2.442 14.718 7.494 1.00 0.00 C ATOM 1352 C GLU B 91 1.282 13.973 8.154 1.00 0.00 C ATOM 1353 O GLU B 91 1.484 13.214 9.103 1.00 0.00 O ATOM 1354 CB GLU B 91 3.526 13.715 7.089 1.00 0.00 C ATOM 1355 CG GLU B 91 3.404 13.231 5.651 1.00 0.00 C ATOM 1356 CD GLU B 91 3.588 11.729 5.520 1.00 0.00 C ATOM 1357 OE1 GLU B 91 4.678 11.232 5.871 1.00 0.00 O ATOM 1358 OE2 GLU B 91 2.642 11.051 5.063 1.00 0.00 O ATOM 0 H GLU B 91 2.755 15.604 9.373 1.00 0.00 H new ATOM 0 HA GLU B 91 2.072 15.227 6.604 1.00 0.00 H new ATOM 0 HB2 GLU B 91 4.504 14.175 7.226 1.00 0.00 H new ATOM 0 HB3 GLU B 91 3.481 12.855 7.758 1.00 0.00 H new ATOM 0 HG2 GLU B 91 2.425 13.508 5.261 1.00 0.00 H new ATOM 0 HG3 GLU B 91 4.148 13.739 5.037 1.00 0.00 H new ATOM 1365 N ASN B 92 0.066 14.187 7.647 1.00 0.00 N ATOM 1366 CA ASN B 92 -1.117 13.522 8.196 1.00 0.00 C ATOM 1367 C ASN B 92 -1.734 12.541 7.191 1.00 0.00 C ATOM 1368 O ASN B 92 -2.955 12.481 7.037 1.00 0.00 O ATOM 1369 CB ASN B 92 -2.161 14.557 8.647 1.00 0.00 C ATOM 1370 CG ASN B 92 -2.441 15.621 7.599 1.00 0.00 C ATOM 1371 OD1 ASN B 92 -3.114 15.362 6.601 1.00 0.00 O ATOM 1372 ND2 ASN B 92 -1.930 16.828 7.824 1.00 0.00 N ATOM 0 H ASN B 92 -0.125 14.811 6.863 1.00 0.00 H new ATOM 0 HA ASN B 92 -0.795 12.947 9.064 1.00 0.00 H new ATOM 0 HB2 ASN B 92 -3.091 14.043 8.891 1.00 0.00 H new ATOM 0 HB3 ASN B 92 -1.814 15.039 9.561 1.00 0.00 H new ATOM 0 HD21 ASN B 92 -2.090 17.582 7.156 1.00 0.00 H new ATOM 0 HD22 ASN B 92 -1.378 17.000 8.664 1.00 0.00 H new ATOM 1379 N LYS B 93 -0.881 11.761 6.516 1.00 0.00 N ATOM 1380 CA LYS B 93 -1.350 10.775 5.537 1.00 0.00 C ATOM 1381 C LYS B 93 -0.389 9.581 5.443 1.00 0.00 C ATOM 1382 O LYS B 93 -0.094 9.090 4.350 1.00 0.00 O ATOM 1383 CB LYS B 93 -1.520 11.432 4.159 1.00 0.00 C ATOM 1384 CG LYS B 93 -2.975 11.654 3.762 1.00 0.00 C ATOM 1385 CD LYS B 93 -3.350 13.130 3.794 1.00 0.00 C ATOM 1386 CE LYS B 93 -4.771 13.334 4.297 1.00 0.00 C ATOM 1387 NZ LYS B 93 -5.207 14.755 4.181 1.00 0.00 N ATOM 0 H LYS B 93 0.132 11.793 6.629 1.00 0.00 H new ATOM 0 HA LYS B 93 -2.317 10.401 5.874 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -1.002 12.391 4.157 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -1.038 10.808 3.407 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -3.143 11.258 2.761 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -3.625 11.099 4.438 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -2.654 13.669 4.437 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -3.253 13.553 2.794 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -5.451 12.699 3.729 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -4.835 13.019 5.339 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -6.224 14.824 4.389 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -4.674 15.338 4.858 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -5.027 15.095 3.215 1.00 0.00 H new ATOM 1401 N VAL B 94 0.093 9.111 6.597 1.00 0.00 N ATOM 1402 CA VAL B 94 1.012 7.974 6.638 1.00 0.00 C ATOM 1403 C VAL B 94 0.318 6.718 7.168 1.00 0.00 C ATOM 1404 O VAL B 94 -0.444 6.780 8.136 1.00 0.00 O ATOM 1405 CB VAL B 94 2.262 8.281 7.495 1.00 0.00 C ATOM 1406 CG1 VAL B 94 1.884 8.581 8.942 1.00 0.00 C ATOM 1407 CG2 VAL B 94 3.254 7.127 7.423 1.00 0.00 C ATOM 0 H VAL B 94 -0.138 9.500 7.511 1.00 0.00 H new ATOM 0 HA VAL B 94 1.334 7.792 5.613 1.00 0.00 H new ATOM 0 HB VAL B 94 2.738 9.173 7.087 1.00 0.00 H new ATOM 0 HG11 VAL B 94 2.785 8.792 9.517 1.00 0.00 H new ATOM 0 HG12 VAL B 94 1.222 9.447 8.973 1.00 0.00 H new ATOM 0 HG13 VAL B 94 1.374 7.719 9.371 1.00 0.00 H new ATOM 0 HG21 VAL B 94 4.128 7.360 8.032 1.00 0.00 H new ATOM 0 HG22 VAL B 94 2.783 6.218 7.797 1.00 0.00 H new ATOM 0 HG23 VAL B 94 3.562 6.976 6.388 1.00 0.00 H new ATOM 1417 N THR B 95 0.587 5.579 6.526 1.00 0.00 N ATOM 1418 CA THR B 95 -0.013 4.309 6.931 1.00 0.00 C ATOM 1419 C THR B 95 1.011 3.173 6.901 1.00 0.00 C ATOM 1420 O THR B 95 1.690 2.960 5.894 1.00 0.00 O ATOM 1421 CB THR B 95 -1.199 3.965 6.020 1.00 0.00 C ATOM 1422 OG1 THR B 95 -2.095 5.059 5.923 1.00 0.00 O ATOM 1423 CG2 THR B 95 -1.995 2.766 6.494 1.00 0.00 C ATOM 0 H THR B 95 1.215 5.512 5.725 1.00 0.00 H new ATOM 0 HA THR B 95 -0.366 4.422 7.956 1.00 0.00 H new ATOM 0 HB THR B 95 -0.755 3.729 5.053 1.00 0.00 H new ATOM 0 HG1 THR B 95 -2.413 5.302 6.818 1.00 0.00 H new ATOM 0 HG21 THR B 95 -2.818 2.579 5.804 1.00 0.00 H new ATOM 0 HG22 THR B 95 -1.347 1.890 6.531 1.00 0.00 H new ATOM 0 HG23 THR B 95 -2.394 2.964 7.489 1.00 0.00 H new ATOM 1431 N ASP B 96 1.103 2.437 8.010 1.00 0.00 N ATOM 1432 CA ASP B 96 2.025 1.308 8.120 1.00 0.00 C ATOM 1433 C ASP B 96 1.248 0.009 8.339 1.00 0.00 C ATOM 1434 O ASP B 96 0.471 -0.104 9.288 1.00 0.00 O ATOM 1435 CB ASP B 96 3.014 1.533 9.272 1.00 0.00 C ATOM 1436 CG ASP B 96 4.049 0.427 9.377 1.00 0.00 C ATOM 1437 OD1 ASP B 96 4.833 0.251 8.421 1.00 0.00 O ATOM 1438 OD2 ASP B 96 4.076 -0.262 10.417 1.00 0.00 O ATOM 0 H ASP B 96 0.547 2.605 8.848 1.00 0.00 H new ATOM 0 HA ASP B 96 2.587 1.229 7.189 1.00 0.00 H new ATOM 0 HB2 ASP B 96 3.521 2.488 9.130 1.00 0.00 H new ATOM 0 HB3 ASP B 96 2.464 1.601 10.210 1.00 0.00 H new ATOM 1443 N LEU B 97 1.461 -0.964 7.453 1.00 0.00 N ATOM 1444 CA LEU B 97 0.777 -2.253 7.544 1.00 0.00 C ATOM 1445 C LEU B 97 1.775 -3.407 7.456 1.00 0.00 C ATOM 1446 O LEU B 97 2.088 -4.001 8.506 1.00 0.00 O ATOM 1447 CB LEU B 97 -0.272 -2.377 6.429 1.00 0.00 C ATOM 1448 CG LEU B 97 -1.722 -2.534 6.899 1.00 0.00 C ATOM 1449 CD1 LEU B 97 -1.908 -3.849 7.644 1.00 0.00 C ATOM 1450 CD2 LEU B 97 -2.134 -1.354 7.770 1.00 0.00 C ATOM 1451 OXT LEU B 97 2.235 -3.707 6.337 1.00 0.00 O ATOM 0 H LEU B 97 2.102 -0.883 6.664 1.00 0.00 H new ATOM 0 HA LEU B 97 0.276 -2.305 8.511 1.00 0.00 H new ATOM 0 HB2 LEU B 97 -0.208 -1.493 5.795 1.00 0.00 H new ATOM 0 HB3 LEU B 97 -0.016 -3.235 5.807 1.00 0.00 H new ATOM 0 HG LEU B 97 -2.367 -2.550 6.020 1.00 0.00 H new ATOM 0 HD11 LEU B 97 -2.945 -3.940 7.969 1.00 0.00 H new ATOM 0 HD12 LEU B 97 -1.661 -4.680 6.983 1.00 0.00 H new ATOM 0 HD13 LEU B 97 -1.252 -3.870 8.514 1.00 0.00 H new ATOM 0 HD21 LEU B 97 -3.167 -1.484 8.094 1.00 0.00 H new ATOM 0 HD22 LEU B 97 -1.484 -1.302 8.643 1.00 0.00 H new ATOM 0 HD23 LEU B 97 -2.047 -0.431 7.197 1.00 0.00 H new TER 1463 LEU B 97