USER MOD reduce.3.24.130724 H: found=0, std=0, add=1048, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1048 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 111 HIS : no HE2:sc= -0.611 K(o=0.64,f=-5.4!) USER MOD Set 1.2: A 113 THR OG1 : rot 137:sc= 1.25 USER MOD Single : A 1 GLN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 1 GLN N :NH3+ -127:sc= 0.01 (180deg=-0.0586) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0278 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN :FLIP amide:sc= 0.6 F(o=0,f=0.6) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= -0.219 USER MOD Single : A 25 LYS NZ :NH3+ -146:sc= -4.7! (180deg=-7.81!) USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.4! USER MOD Single : A 28 THR OG1 : rot 160:sc= -2.23! USER MOD Single : A 29 GLN : amide:sc=-0.000263 X(o=-0.00026,f=0) USER MOD Single : A 30 THR OG1 : rot 94:sc= -0.0998 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -3:sc= -0.386 USER MOD Single : A 38 LYS NZ :NH3+ -115:sc= -0.397 (180deg=-2.03) USER MOD Single : A 39 GLN : amide:sc= -0.445 K(o=-0.44,f=-6.7!) USER MOD Single : A 43 LYS NZ :NH3+ -147:sc= -2.01! (180deg=-3.97!) USER MOD Single : A 47 SER OG : rot 180:sc= 0.0891 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -142:sc= 0.269 (180deg=0.00944) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 155:sc= -0.252 (180deg=-0.899) USER MOD Single : A 60 HIS : no HD1:sc= -1.52 X(o=-1.5,f=-1.8) USER MOD Single : A 61 SER OG : rot 180:sc= 0.113 USER MOD Single : A 62 GLN : amide:sc= -0.246 K(o=-0.25,f=-2.9!) USER MOD Single : A 63 ASN :FLIP amide:sc= -0.465 F(o=-1.7,f=-0.46) 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 78 MET CE :methyl -102:sc= -0.283 (180deg=-1.8!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.026) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 117:sc= 0.0167 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 148:sc= -0.0879 (180deg=-0.68) USER MOD Single : A 104 TYR OH : rot 86:sc= 0.257 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0.004) USER MOD Single : A 110 ASN :FLIP amide:sc= 0.235 F(o=-1.3,f=0.23) USER MOD Single : A 114 MET CE :methyl -164:sc= -8.78! (180deg=-9.15!) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 LYS NZ :NH3+ 140:sc= 0 (180deg=-0.0759) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -9.723 17.315 3.171 1.00 0.00 N ATOM 2 CA GLN A 1 -10.443 16.121 3.688 1.00 0.00 C ATOM 3 C GLN A 1 -10.493 15.011 2.644 1.00 0.00 C ATOM 4 O GLN A 1 -10.461 15.275 1.442 1.00 0.00 O ATOM 5 CB GLN A 1 -11.862 16.542 4.078 1.00 0.00 C ATOM 6 CG GLN A 1 -11.907 17.565 5.203 1.00 0.00 C ATOM 7 CD GLN A 1 -13.042 17.312 6.177 1.00 0.00 C ATOM 8 OE1 GLN A 1 -12.876 17.446 7.388 1.00 0.00 O ATOM 9 NE2 GLN A 1 -14.204 16.944 5.649 1.00 0.00 N ATOM 0 H1 GLN A 1 -8.971 17.582 3.837 1.00 0.00 H new ATOM 0 H2 GLN A 1 -9.303 17.094 2.246 1.00 0.00 H new ATOM 0 H3 GLN A 1 -10.391 18.105 3.068 1.00 0.00 H new ATOM 0 HA GLN A 1 -9.912 15.730 4.556 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -12.363 16.955 3.202 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -12.424 15.658 4.379 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -10.960 17.548 5.742 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -12.014 18.563 4.778 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -14.296 16.845 4.638 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -15.004 16.760 6.255 1.00 0.00 H new ATOM 20 N PHE A 2 -10.571 13.768 3.109 1.00 0.00 N ATOM 21 CA PHE A 2 -10.625 12.618 2.211 1.00 0.00 C ATOM 22 C PHE A 2 -11.261 11.411 2.895 1.00 0.00 C ATOM 23 O PHE A 2 -12.071 10.702 2.299 1.00 0.00 O ATOM 24 CB PHE A 2 -9.221 12.258 1.717 1.00 0.00 C ATOM 25 CG PHE A 2 -9.204 11.418 0.466 1.00 0.00 C ATOM 26 CD1 PHE A 2 -10.385 10.959 -0.109 1.00 0.00 C ATOM 27 CD2 PHE A 2 -8.001 11.086 -0.137 1.00 0.00 C ATOM 28 CE1 PHE A 2 -10.359 10.188 -1.256 1.00 0.00 C ATOM 29 CE2 PHE A 2 -7.971 10.315 -1.284 1.00 0.00 C ATOM 30 CZ PHE A 2 -9.152 9.866 -1.843 1.00 0.00 C ATOM 0 H PHE A 2 -10.598 13.531 4.101 1.00 0.00 H new ATOM 0 HA PHE A 2 -11.244 12.893 1.357 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -8.666 13.178 1.531 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -8.696 11.723 2.508 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -11.332 11.208 0.346 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.075 11.434 0.295 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -11.283 9.838 -1.693 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -7.026 10.064 -1.742 1.00 0.00 H new ATOM 0 HZ PHE A 2 -9.131 9.263 -2.739 1.00 0.00 H new ATOM 40 N ASP A 3 -10.892 11.180 4.152 1.00 0.00 N ATOM 41 CA ASP A 3 -11.431 10.057 4.915 1.00 0.00 C ATOM 42 C ASP A 3 -11.374 8.758 4.111 1.00 0.00 C ATOM 43 O ASP A 3 -12.386 8.304 3.577 1.00 0.00 O ATOM 44 CB ASP A 3 -12.874 10.347 5.332 1.00 0.00 C ATOM 45 CG ASP A 3 -13.257 9.644 6.619 1.00 0.00 C ATOM 46 OD1 ASP A 3 -12.578 8.662 6.985 1.00 0.00 O ATOM 47 OD2 ASP A 3 -14.238 10.075 7.261 1.00 0.00 O ATOM 0 H ASP A 3 -10.223 11.755 4.664 1.00 0.00 H new ATOM 0 HA ASP A 3 -10.815 9.932 5.805 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.004 11.422 5.456 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.549 10.034 4.536 1.00 0.00 H new ATOM 52 N LEU A 4 -10.187 8.164 4.032 1.00 0.00 N ATOM 53 CA LEU A 4 -10.004 6.918 3.296 1.00 0.00 C ATOM 54 C LEU A 4 -9.706 5.764 4.250 1.00 0.00 C ATOM 55 O LEU A 4 -8.654 5.729 4.888 1.00 0.00 O ATOM 56 CB LEU A 4 -8.872 7.060 2.275 1.00 0.00 C ATOM 57 CG LEU A 4 -9.029 6.209 1.013 1.00 0.00 C ATOM 58 CD1 LEU A 4 -8.768 7.039 -0.236 1.00 0.00 C ATOM 59 CD2 LEU A 4 -8.104 5.001 1.062 1.00 0.00 C ATOM 0 H LEU A 4 -9.339 8.525 4.468 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.931 6.699 2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.797 8.107 1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.932 6.796 2.759 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.057 5.850 0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.885 6.413 -1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.478 7.865 -0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.753 7.435 -0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.231 4.409 0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.070 5.337 1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.348 4.391 1.931 1.00 0.00 H new ATOM 71 N THR A 5 -10.641 4.823 4.345 1.00 0.00 N ATOM 72 CA THR A 5 -10.480 3.670 5.222 1.00 0.00 C ATOM 73 C THR A 5 -10.384 2.378 4.418 1.00 0.00 C ATOM 74 O THR A 5 -11.320 2.000 3.714 1.00 0.00 O ATOM 75 CB THR A 5 -11.646 3.587 6.209 1.00 0.00 C ATOM 76 OG1 THR A 5 -11.408 2.590 7.184 1.00 0.00 O ATOM 77 CG2 THR A 5 -12.972 3.277 5.549 1.00 0.00 C ATOM 0 H THR A 5 -11.518 4.837 3.825 1.00 0.00 H new ATOM 0 HA THR A 5 -9.551 3.797 5.777 1.00 0.00 H new ATOM 0 HB THR A 5 -11.709 4.576 6.662 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.164 2.554 7.806 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.754 3.233 6.307 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.210 4.058 4.827 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.908 2.317 5.037 1.00 0.00 H new ATOM 85 N VAL A 6 -9.245 1.703 4.530 1.00 0.00 N ATOM 86 CA VAL A 6 -9.024 0.450 3.815 1.00 0.00 C ATOM 87 C VAL A 6 -8.374 -0.585 4.721 1.00 0.00 C ATOM 88 O VAL A 6 -7.479 -0.267 5.505 1.00 0.00 O ATOM 89 CB VAL A 6 -8.141 0.654 2.560 1.00 0.00 C ATOM 90 CG1 VAL A 6 -7.084 1.713 2.811 1.00 0.00 C ATOM 91 CG2 VAL A 6 -7.510 -0.657 2.093 1.00 0.00 C ATOM 0 H VAL A 6 -8.460 2.002 5.109 1.00 0.00 H new ATOM 0 HA VAL A 6 -10.003 0.091 3.497 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.788 1.004 1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.476 1.839 1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.567 2.658 3.057 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.449 1.403 3.641 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.898 -0.472 1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.886 -1.064 2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.296 -1.371 1.847 1.00 0.00 H new ATOM 101 N GLY A 7 -8.814 -1.828 4.590 1.00 0.00 N ATOM 102 CA GLY A 7 -8.248 -2.895 5.383 1.00 0.00 C ATOM 103 C GLY A 7 -7.609 -3.955 4.511 1.00 0.00 C ATOM 104 O GLY A 7 -8.298 -4.660 3.774 1.00 0.00 O ATOM 0 H GLY A 7 -9.553 -2.115 3.948 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.503 -2.487 6.066 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.028 -3.348 5.996 1.00 0.00 H new ATOM 108 N ILE A 8 -6.291 -4.070 4.598 1.00 0.00 N ATOM 109 CA ILE A 8 -5.562 -5.054 3.812 1.00 0.00 C ATOM 110 C ILE A 8 -5.347 -6.319 4.642 1.00 0.00 C ATOM 111 O ILE A 8 -4.704 -6.271 5.691 1.00 0.00 O ATOM 112 CB ILE A 8 -4.201 -4.487 3.336 1.00 0.00 C ATOM 113 CG1 ILE A 8 -4.400 -3.581 2.117 1.00 0.00 C ATOM 114 CG2 ILE A 8 -3.214 -5.602 3.014 1.00 0.00 C ATOM 115 CD1 ILE A 8 -3.660 -2.262 2.211 1.00 0.00 C ATOM 0 H ILE A 8 -5.706 -3.495 5.204 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.152 -5.298 2.929 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.781 -3.897 4.151 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.068 -4.111 1.224 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.465 -3.382 1.993 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.270 -5.168 2.683 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.043 -6.206 3.905 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.621 -6.231 2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.848 -1.674 1.313 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.008 -1.711 3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.590 -2.451 2.303 1.00 0.00 H new ATOM 127 N THR A 9 -5.898 -7.447 4.191 1.00 0.00 N ATOM 128 CA THR A 9 -5.756 -8.693 4.940 1.00 0.00 C ATOM 129 C THR A 9 -5.591 -9.916 4.035 1.00 0.00 C ATOM 130 O THR A 9 -6.434 -10.199 3.184 1.00 0.00 O ATOM 131 CB THR A 9 -6.968 -8.890 5.850 1.00 0.00 C ATOM 132 OG1 THR A 9 -7.258 -7.702 6.564 1.00 0.00 O ATOM 133 CG2 THR A 9 -6.784 -10.001 6.860 1.00 0.00 C ATOM 0 H THR A 9 -6.436 -7.523 3.328 1.00 0.00 H new ATOM 0 HA THR A 9 -4.845 -8.606 5.532 1.00 0.00 H new ATOM 0 HB THR A 9 -7.788 -9.160 5.184 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.038 -7.848 7.139 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.681 -10.087 7.473 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.609 -10.942 6.338 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.929 -9.776 7.497 1.00 0.00 H new ATOM 141 N ASP A 10 -4.501 -10.645 4.267 1.00 0.00 N ATOM 142 CA ASP A 10 -4.173 -11.862 3.536 1.00 0.00 C ATOM 143 C ASP A 10 -4.181 -11.684 2.024 1.00 0.00 C ATOM 144 O ASP A 10 -4.941 -10.894 1.467 1.00 0.00 O ATOM 145 CB ASP A 10 -5.092 -13.015 3.911 1.00 0.00 C ATOM 146 CG ASP A 10 -5.464 -13.021 5.382 1.00 0.00 C ATOM 147 OD1 ASP A 10 -4.557 -12.853 6.225 1.00 0.00 O ATOM 148 OD2 ASP A 10 -6.662 -13.193 5.690 1.00 0.00 O ATOM 0 H ASP A 10 -3.812 -10.401 4.979 1.00 0.00 H new ATOM 0 HA ASP A 10 -3.152 -12.100 3.836 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.001 -12.958 3.312 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.604 -13.957 3.661 1.00 0.00 H new ATOM 153 N PRO A 11 -3.280 -12.416 1.357 1.00 0.00 N ATOM 154 CA PRO A 11 -3.064 -12.397 -0.073 1.00 0.00 C ATOM 155 C PRO A 11 -3.555 -13.682 -0.745 1.00 0.00 C ATOM 156 O PRO A 11 -2.864 -14.701 -0.721 1.00 0.00 O ATOM 157 CB PRO A 11 -1.524 -12.334 -0.105 1.00 0.00 C ATOM 158 CG PRO A 11 -1.084 -12.784 1.275 1.00 0.00 C ATOM 159 CD PRO A 11 -2.308 -13.315 1.939 1.00 0.00 C ATOM 0 HA PRO A 11 -3.586 -11.596 -0.595 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.118 -12.984 -0.880 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.175 -11.324 -0.321 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.312 -13.550 1.209 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.661 -11.954 1.841 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.501 -14.360 1.696 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.264 -13.243 3.026 1.00 0.00 H new ATOM 167 N GLU A 12 -4.748 -13.641 -1.328 1.00 0.00 N ATOM 168 CA GLU A 12 -5.312 -14.821 -1.984 1.00 0.00 C ATOM 169 C GLU A 12 -4.816 -14.951 -3.423 1.00 0.00 C ATOM 170 O GLU A 12 -4.630 -13.955 -4.119 1.00 0.00 O ATOM 171 CB GLU A 12 -6.841 -14.760 -1.963 1.00 0.00 C ATOM 172 CG GLU A 12 -7.409 -13.471 -2.536 1.00 0.00 C ATOM 173 CD GLU A 12 -8.198 -12.675 -1.515 1.00 0.00 C ATOM 174 OE1 GLU A 12 -8.747 -13.290 -0.577 1.00 0.00 O ATOM 175 OE2 GLU A 12 -8.268 -11.435 -1.654 1.00 0.00 O ATOM 0 H GLU A 12 -5.341 -12.812 -1.361 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.979 -15.699 -1.431 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.237 -15.604 -2.528 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.186 -14.874 -0.935 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.593 -12.857 -2.918 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.053 -13.707 -3.383 1.00 0.00 H new ATOM 182 N LYS A 13 -4.607 -16.193 -3.862 1.00 0.00 N ATOM 183 CA LYS A 13 -4.134 -16.462 -5.219 1.00 0.00 C ATOM 184 C LYS A 13 -5.255 -16.256 -6.234 1.00 0.00 C ATOM 185 O LYS A 13 -6.383 -16.702 -6.025 1.00 0.00 O ATOM 186 CB LYS A 13 -3.592 -17.890 -5.319 1.00 0.00 C ATOM 187 CG LYS A 13 -3.063 -18.246 -6.700 1.00 0.00 C ATOM 188 CD LYS A 13 -1.757 -19.024 -6.617 1.00 0.00 C ATOM 189 CE LYS A 13 -1.974 -20.508 -6.865 1.00 0.00 C ATOM 190 NZ LYS A 13 -0.713 -21.287 -6.711 1.00 0.00 N ATOM 0 H LYS A 13 -4.758 -17.028 -3.297 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.330 -15.761 -5.445 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.793 -18.018 -4.589 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.384 -18.590 -5.051 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.807 -18.838 -7.233 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.908 -17.334 -7.277 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.052 -18.631 -7.349 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.309 -18.880 -5.634 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.722 -20.887 -6.169 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.371 -20.654 -7.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.903 -22.294 -6.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.007 -20.943 -7.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.348 -21.169 -5.745 1.00 0.00 H new ATOM 204 N ILE A 14 -4.937 -15.574 -7.330 1.00 0.00 N ATOM 205 CA ILE A 14 -5.917 -15.302 -8.376 1.00 0.00 C ATOM 206 C ILE A 14 -5.515 -15.960 -9.692 1.00 0.00 C ATOM 207 O ILE A 14 -4.364 -15.873 -10.119 1.00 0.00 O ATOM 208 CB ILE A 14 -6.102 -13.777 -8.580 1.00 0.00 C ATOM 209 CG1 ILE A 14 -7.062 -13.221 -7.531 1.00 0.00 C ATOM 210 CG2 ILE A 14 -6.612 -13.451 -9.975 1.00 0.00 C ATOM 211 CD1 ILE A 14 -6.660 -13.568 -6.121 1.00 0.00 C ATOM 0 H ILE A 14 -4.007 -15.199 -7.517 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.867 -15.728 -8.053 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.125 -13.308 -8.466 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -7.113 -12.137 -7.632 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -8.063 -13.606 -7.723 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.728 -12.372 -10.077 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.899 -13.811 -10.716 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -7.575 -13.936 -10.133 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.382 -13.145 -5.422 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.636 -14.652 -6.006 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.671 -13.159 -5.914 1.00 0.00 H new ATOM 223 N GLY A 15 -6.480 -16.612 -10.328 1.00 0.00 N ATOM 224 CA GLY A 15 -6.223 -17.277 -11.593 1.00 0.00 C ATOM 225 C GLY A 15 -5.421 -18.554 -11.433 1.00 0.00 C ATOM 226 O GLY A 15 -5.024 -18.912 -10.325 1.00 0.00 O ATOM 0 H GLY A 15 -7.439 -16.693 -9.990 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.172 -17.508 -12.076 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.686 -16.596 -12.254 1.00 0.00 H new ATOM 230 N ASP A 16 -5.183 -19.242 -12.546 1.00 0.00 N ATOM 231 CA ASP A 16 -4.424 -20.487 -12.529 1.00 0.00 C ATOM 232 C ASP A 16 -4.177 -20.991 -13.948 1.00 0.00 C ATOM 233 O ASP A 16 -4.933 -21.812 -14.467 1.00 0.00 O ATOM 234 CB ASP A 16 -5.164 -21.551 -11.714 1.00 0.00 C ATOM 235 CG ASP A 16 -4.273 -22.214 -10.683 1.00 0.00 C ATOM 236 OD1 ASP A 16 -3.477 -23.098 -11.067 1.00 0.00 O ATOM 237 OD2 ASP A 16 -4.371 -21.851 -9.492 1.00 0.00 O ATOM 0 H ASP A 16 -5.505 -18.958 -13.471 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.460 -20.291 -12.060 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.016 -21.093 -11.212 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.561 -22.310 -12.388 1.00 0.00 H new ATOM 242 N GLY A 17 -3.115 -20.490 -14.571 1.00 0.00 N ATOM 243 CA GLY A 17 -2.784 -20.897 -15.924 1.00 0.00 C ATOM 244 C GLY A 17 -1.337 -20.614 -16.278 1.00 0.00 C ATOM 245 O GLY A 17 -1.046 -19.669 -17.013 1.00 0.00 O ATOM 0 H GLY A 17 -2.477 -19.808 -14.162 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.981 -21.963 -16.038 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.435 -20.376 -16.626 1.00 0.00 H new ATOM 249 N MET A 18 -0.429 -21.434 -15.751 1.00 0.00 N ATOM 250 CA MET A 18 1.002 -21.279 -16.007 1.00 0.00 C ATOM 251 C MET A 18 1.436 -19.820 -15.885 1.00 0.00 C ATOM 252 O MET A 18 2.377 -19.385 -16.551 1.00 0.00 O ATOM 253 CB MET A 18 1.359 -21.817 -17.395 1.00 0.00 C ATOM 254 CG MET A 18 0.730 -21.032 -18.534 1.00 0.00 C ATOM 255 SD MET A 18 1.594 -21.266 -20.099 1.00 0.00 S ATOM 256 CE MET A 18 1.609 -19.590 -20.727 1.00 0.00 C ATOM 0 H MET A 18 -0.661 -22.217 -15.140 1.00 0.00 H new ATOM 0 HA MET A 18 1.536 -21.856 -15.252 1.00 0.00 H new ATOM 0 HB2 MET A 18 2.443 -21.805 -17.512 1.00 0.00 H new ATOM 0 HB3 MET A 18 1.042 -22.858 -17.464 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.310 -21.336 -18.649 1.00 0.00 H new ATOM 0 HG3 MET A 18 0.726 -19.972 -18.281 1.00 0.00 H new ATOM 0 HE1 MET A 18 2.112 -19.568 -21.694 1.00 0.00 H new ATOM 0 HE2 MET A 18 0.585 -19.236 -20.842 1.00 0.00 H new ATOM 0 HE3 MET A 18 2.140 -18.944 -20.028 1.00 0.00 H new ATOM 266 N ASN A 19 0.746 -19.069 -15.032 1.00 0.00 N ATOM 267 CA ASN A 19 1.061 -17.659 -14.825 1.00 0.00 C ATOM 268 C ASN A 19 0.129 -17.043 -13.785 1.00 0.00 C ATOM 269 O ASN A 19 -0.343 -15.918 -13.950 1.00 0.00 O ATOM 270 CB ASN A 19 0.953 -16.890 -16.143 1.00 0.00 C ATOM 271 CG ASN A 19 1.911 -15.716 -16.210 1.00 0.00 C ATOM 272 OD1 ASN A 19 2.841 -15.763 -17.156 1.00 0.00 O flip ATOM 273 ND2 ASN A 19 1.816 -14.777 -15.418 1.00 0.00 N flip ATOM 0 H ASN A 19 -0.035 -19.413 -14.473 1.00 0.00 H new ATOM 0 HA ASN A 19 2.085 -17.591 -14.457 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.155 -17.567 -16.973 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.068 -16.529 -16.267 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.085 -14.782 -14.706 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.468 -13.995 -15.474 1.00 0.00 H new ATOM 280 N ALA A 20 -0.133 -17.788 -12.716 1.00 0.00 N ATOM 281 CA ALA A 20 -1.011 -17.310 -11.654 1.00 0.00 C ATOM 282 C ALA A 20 -0.302 -16.294 -10.767 1.00 0.00 C ATOM 283 O ALA A 20 0.928 -16.245 -10.718 1.00 0.00 O ATOM 284 CB ALA A 20 -1.519 -18.476 -10.818 1.00 0.00 C ATOM 0 H ALA A 20 0.248 -18.721 -12.562 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.862 -16.815 -12.122 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.173 -18.101 -10.030 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.075 -19.165 -11.454 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.674 -18.998 -10.370 1.00 0.00 H new ATOM 290 N TYR A 21 -1.088 -15.489 -10.064 1.00 0.00 N ATOM 291 CA TYR A 21 -0.548 -14.471 -9.171 1.00 0.00 C ATOM 292 C TYR A 21 -1.426 -14.323 -7.944 1.00 0.00 C ATOM 293 O TYR A 21 -2.522 -14.879 -7.885 1.00 0.00 O ATOM 294 CB TYR A 21 -0.459 -13.122 -9.888 1.00 0.00 C ATOM 295 CG TYR A 21 -1.777 -12.650 -10.473 1.00 0.00 C ATOM 296 CD1 TYR A 21 -2.871 -12.348 -9.656 1.00 0.00 C ATOM 297 CD2 TYR A 21 -1.928 -12.500 -11.847 1.00 0.00 C ATOM 298 CE1 TYR A 21 -4.065 -11.913 -10.200 1.00 0.00 C ATOM 299 CE2 TYR A 21 -3.120 -12.064 -12.393 1.00 0.00 C ATOM 300 CZ TYR A 21 -4.184 -11.772 -11.566 1.00 0.00 C ATOM 301 OH TYR A 21 -5.372 -11.338 -12.109 1.00 0.00 O ATOM 0 H TYR A 21 -2.107 -15.522 -10.095 1.00 0.00 H new ATOM 0 HA TYR A 21 0.450 -14.786 -8.867 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.094 -12.372 -9.186 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.278 -13.195 -10.688 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.782 -12.456 -8.585 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.098 -12.728 -12.500 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.902 -11.684 -9.557 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.218 -11.952 -13.463 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.288 -11.292 -13.084 1.00 0.00 H new ATOM 311 N VAL A 22 -0.962 -13.546 -6.972 1.00 0.00 N ATOM 312 CA VAL A 22 -1.745 -13.313 -5.773 1.00 0.00 C ATOM 313 C VAL A 22 -2.335 -11.919 -5.788 1.00 0.00 C ATOM 314 O VAL A 22 -1.724 -10.967 -6.272 1.00 0.00 O ATOM 315 CB VAL A 22 -0.939 -13.485 -4.473 1.00 0.00 C ATOM 316 CG1 VAL A 22 -1.775 -13.043 -3.269 1.00 0.00 C ATOM 317 CG2 VAL A 22 -0.481 -14.928 -4.316 1.00 0.00 C ATOM 0 H VAL A 22 -0.058 -13.074 -6.993 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.530 -14.069 -5.783 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.052 -12.853 -4.525 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.193 -13.170 -2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.049 -11.994 -3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.678 -13.650 -3.211 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.087 -15.031 -3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.351 -15.584 -4.282 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.149 -15.204 -5.162 1.00 0.00 H new ATOM 327 N ALA A 23 -3.525 -11.820 -5.243 1.00 0.00 N ATOM 328 CA ALA A 23 -4.240 -10.572 -5.160 1.00 0.00 C ATOM 329 C ALA A 23 -4.061 -9.938 -3.788 1.00 0.00 C ATOM 330 O ALA A 23 -3.332 -10.456 -2.943 1.00 0.00 O ATOM 331 CB ALA A 23 -5.696 -10.851 -5.413 1.00 0.00 C ATOM 0 H ALA A 23 -4.027 -12.612 -4.842 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.851 -9.875 -5.902 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.260 -9.920 -5.356 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.816 -11.287 -6.405 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.069 -11.548 -4.662 1.00 0.00 H new ATOM 337 N TYR A 24 -4.745 -8.826 -3.566 1.00 0.00 N ATOM 338 CA TYR A 24 -4.677 -8.134 -2.289 1.00 0.00 C ATOM 339 C TYR A 24 -6.054 -7.628 -1.893 1.00 0.00 C ATOM 340 O TYR A 24 -6.688 -6.877 -2.636 1.00 0.00 O ATOM 341 CB TYR A 24 -3.674 -6.980 -2.353 1.00 0.00 C ATOM 342 CG TYR A 24 -2.280 -7.386 -1.938 1.00 0.00 C ATOM 343 CD1 TYR A 24 -1.538 -8.277 -2.705 1.00 0.00 C ATOM 344 CD2 TYR A 24 -1.710 -6.888 -0.776 1.00 0.00 C ATOM 345 CE1 TYR A 24 -0.265 -8.657 -2.324 1.00 0.00 C ATOM 346 CE2 TYR A 24 -0.437 -7.263 -0.387 1.00 0.00 C ATOM 347 CZ TYR A 24 0.280 -8.147 -1.165 1.00 0.00 C ATOM 348 OH TYR A 24 1.548 -8.524 -0.782 1.00 0.00 O ATOM 0 H TYR A 24 -5.354 -8.384 -4.254 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.335 -8.837 -1.530 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.645 -6.587 -3.369 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.018 -6.171 -1.709 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.963 -8.679 -3.613 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.270 -6.196 -0.165 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.300 -9.349 -2.931 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.007 -6.866 0.521 1.00 0.00 H new ATOM 0 HH TYR A 24 1.784 -8.074 0.056 1.00 0.00 H new ATOM 358 N LYS A 25 -6.521 -8.050 -0.725 1.00 0.00 N ATOM 359 CA LYS A 25 -7.832 -7.641 -0.248 1.00 0.00 C ATOM 360 C LYS A 25 -7.774 -6.222 0.296 1.00 0.00 C ATOM 361 O LYS A 25 -7.543 -6.006 1.484 1.00 0.00 O ATOM 362 CB LYS A 25 -8.333 -8.600 0.836 1.00 0.00 C ATOM 363 CG LYS A 25 -9.777 -9.035 0.650 1.00 0.00 C ATOM 364 CD LYS A 25 -10.698 -7.842 0.439 1.00 0.00 C ATOM 365 CE LYS A 25 -11.207 -7.772 -0.993 1.00 0.00 C ATOM 366 NZ LYS A 25 -10.584 -6.653 -1.754 1.00 0.00 N ATOM 0 H LYS A 25 -6.014 -8.672 -0.095 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.528 -7.670 -1.086 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.696 -9.484 0.849 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.231 -8.119 1.809 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.848 -9.706 -0.206 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.104 -9.598 1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.544 -7.909 1.123 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.165 -6.923 0.681 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.997 -8.715 -1.498 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.290 -7.647 -0.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.274 -6.265 -2.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.288 -5.906 -1.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.754 -7.005 -2.272 1.00 0.00 H new ATOM 380 N VAL A 26 -7.982 -5.260 -0.592 1.00 0.00 N ATOM 381 CA VAL A 26 -7.951 -3.855 -0.225 1.00 0.00 C ATOM 382 C VAL A 26 -9.347 -3.250 -0.290 1.00 0.00 C ATOM 383 O VAL A 26 -9.746 -2.689 -1.312 1.00 0.00 O ATOM 384 CB VAL A 26 -6.986 -3.077 -1.150 1.00 0.00 C ATOM 385 CG1 VAL A 26 -7.256 -1.578 -1.108 1.00 0.00 C ATOM 386 CG2 VAL A 26 -5.540 -3.377 -0.772 1.00 0.00 C ATOM 0 H VAL A 26 -8.175 -5.431 -1.579 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.590 -3.778 0.801 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.159 -3.410 -2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.559 -1.064 -1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.277 -1.383 -1.435 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.125 -1.213 -0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.870 -2.824 -1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.364 -3.077 0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.351 -4.445 -0.876 1.00 0.00 H new ATOM 396 N THR A 27 -10.082 -3.358 0.811 1.00 0.00 N ATOM 397 CA THR A 27 -11.428 -2.810 0.877 1.00 0.00 C ATOM 398 C THR A 27 -11.376 -1.344 1.275 1.00 0.00 C ATOM 399 O THR A 27 -11.740 -0.976 2.392 1.00 0.00 O ATOM 400 CB THR A 27 -12.291 -3.590 1.869 1.00 0.00 C ATOM 401 OG1 THR A 27 -12.342 -4.962 1.523 1.00 0.00 O ATOM 402 CG2 THR A 27 -13.716 -3.080 1.944 1.00 0.00 C ATOM 0 H THR A 27 -9.769 -3.818 1.666 1.00 0.00 H new ATOM 0 HA THR A 27 -11.879 -2.899 -0.111 1.00 0.00 H new ATOM 0 HB THR A 27 -11.817 -3.449 2.840 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.898 -5.442 2.172 1.00 0.00 H new ATOM 0 HG21 THR A 27 -14.278 -3.674 2.665 1.00 0.00 H new ATOM 0 HG22 THR A 27 -13.713 -2.036 2.258 1.00 0.00 H new ATOM 0 HG23 THR A 27 -14.184 -3.162 0.963 1.00 0.00 H new ATOM 410 N THR A 28 -10.919 -0.510 0.350 1.00 0.00 N ATOM 411 CA THR A 28 -10.816 0.916 0.603 1.00 0.00 C ATOM 412 C THR A 28 -12.195 1.549 0.598 1.00 0.00 C ATOM 413 O THR A 28 -13.088 1.111 -0.128 1.00 0.00 O ATOM 414 CB THR A 28 -9.917 1.581 -0.445 1.00 0.00 C ATOM 415 OG1 THR A 28 -8.560 1.220 -0.250 1.00 0.00 O ATOM 416 CG2 THR A 28 -9.995 3.093 -0.439 1.00 0.00 C ATOM 0 H THR A 28 -10.615 -0.798 -0.580 1.00 0.00 H new ATOM 0 HA THR A 28 -10.368 1.065 1.585 1.00 0.00 H new ATOM 0 HB THR A 28 -10.288 1.221 -1.404 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.058 1.374 -1.078 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.333 3.495 -1.206 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.019 3.405 -0.644 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.689 3.469 0.537 1.00 0.00 H new ATOM 424 N GLN A 29 -12.370 2.575 1.417 1.00 0.00 N ATOM 425 CA GLN A 29 -13.654 3.248 1.499 1.00 0.00 C ATOM 426 C GLN A 29 -13.504 4.705 1.890 1.00 0.00 C ATOM 427 O GLN A 29 -12.775 5.048 2.820 1.00 0.00 O ATOM 428 CB GLN A 29 -14.575 2.536 2.489 1.00 0.00 C ATOM 429 CG GLN A 29 -15.973 2.287 1.944 1.00 0.00 C ATOM 430 CD GLN A 29 -16.753 1.289 2.779 1.00 0.00 C ATOM 431 OE1 GLN A 29 -17.304 1.633 3.824 1.00 0.00 O ATOM 432 NE2 GLN A 29 -16.802 0.044 2.319 1.00 0.00 N ATOM 0 H GLN A 29 -11.647 2.955 2.027 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.099 3.211 0.505 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.127 1.582 2.769 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -14.649 3.132 3.398 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -16.518 3.230 1.907 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.900 1.921 0.920 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.330 -0.197 1.447 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -17.312 -0.672 2.837 1.00 0.00 H new ATOM 441 N THR A 30 -14.216 5.551 1.172 1.00 0.00 N ATOM 442 CA THR A 30 -14.199 6.980 1.426 1.00 0.00 C ATOM 443 C THR A 30 -15.568 7.570 1.128 1.00 0.00 C ATOM 444 O THR A 30 -15.924 7.810 -0.026 1.00 0.00 O ATOM 445 CB THR A 30 -13.134 7.655 0.572 1.00 0.00 C ATOM 446 OG1 THR A 30 -13.382 9.045 0.453 1.00 0.00 O ATOM 447 CG2 THR A 30 -13.066 7.078 -0.817 1.00 0.00 C ATOM 0 H THR A 30 -14.820 5.270 0.400 1.00 0.00 H new ATOM 0 HA THR A 30 -13.959 7.152 2.475 1.00 0.00 H new ATOM 0 HB THR A 30 -12.187 7.478 1.081 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.879 9.527 1.143 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.292 7.592 -1.387 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.829 6.016 -0.759 1.00 0.00 H new ATOM 0 HG23 THR A 30 -14.028 7.208 -1.312 1.00 0.00 H new ATOM 455 N SER A 31 -16.326 7.785 2.184 1.00 0.00 N ATOM 456 CA SER A 31 -17.674 8.335 2.077 1.00 0.00 C ATOM 457 C SER A 31 -17.664 9.698 1.396 1.00 0.00 C ATOM 458 O SER A 31 -18.686 10.147 0.876 1.00 0.00 O ATOM 459 CB SER A 31 -18.306 8.455 3.464 1.00 0.00 C ATOM 460 OG SER A 31 -19.713 8.607 3.373 1.00 0.00 O ATOM 0 H SER A 31 -16.032 7.586 3.140 1.00 0.00 H new ATOM 0 HA SER A 31 -18.265 7.653 1.466 1.00 0.00 H new ATOM 0 HB2 SER A 31 -18.070 7.568 4.052 1.00 0.00 H new ATOM 0 HB3 SER A 31 -17.878 9.309 3.989 1.00 0.00 H new ATOM 0 HG SER A 31 -20.093 8.680 4.273 1.00 0.00 H new ATOM 466 N LEU A 32 -16.507 10.352 1.407 1.00 0.00 N ATOM 467 CA LEU A 32 -16.354 11.667 0.793 1.00 0.00 C ATOM 468 C LEU A 32 -17.076 11.736 -0.556 1.00 0.00 C ATOM 469 O LEU A 32 -16.706 11.041 -1.503 1.00 0.00 O ATOM 470 CB LEU A 32 -14.870 11.977 0.614 1.00 0.00 C ATOM 471 CG LEU A 32 -14.222 12.725 1.778 1.00 0.00 C ATOM 472 CD1 LEU A 32 -14.857 14.095 1.954 1.00 0.00 C ATOM 473 CD2 LEU A 32 -14.335 11.909 3.059 1.00 0.00 C ATOM 0 H LEU A 32 -15.656 9.990 1.837 1.00 0.00 H new ATOM 0 HA LEU A 32 -16.805 12.411 1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.334 11.040 0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.744 12.568 -0.293 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.165 12.868 1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.382 14.612 2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.724 14.678 1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.921 13.979 2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.869 12.454 3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.386 11.736 3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.830 10.952 2.926 1.00 0.00 H new ATOM 485 N PRO A 33 -18.127 12.574 -0.658 1.00 0.00 N ATOM 486 CA PRO A 33 -18.905 12.720 -1.895 1.00 0.00 C ATOM 487 C PRO A 33 -18.172 13.511 -2.977 1.00 0.00 C ATOM 488 O PRO A 33 -18.705 13.719 -4.067 1.00 0.00 O ATOM 489 CB PRO A 33 -20.150 13.479 -1.437 1.00 0.00 C ATOM 490 CG PRO A 33 -19.696 14.270 -0.260 1.00 0.00 C ATOM 491 CD PRO A 33 -18.646 13.435 0.423 1.00 0.00 C ATOM 0 HA PRO A 33 -19.111 11.753 -2.353 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -20.532 14.126 -2.226 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -20.955 12.795 -1.168 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -19.288 15.232 -0.571 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -20.527 14.479 0.414 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -17.860 14.054 0.854 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -19.069 12.846 1.236 1.00 0.00 H new ATOM 499 N LEU A 34 -16.955 13.956 -2.677 1.00 0.00 N ATOM 500 CA LEU A 34 -16.173 14.724 -3.638 1.00 0.00 C ATOM 501 C LEU A 34 -15.238 13.824 -4.444 1.00 0.00 C ATOM 502 O LEU A 34 -14.736 14.225 -5.494 1.00 0.00 O ATOM 503 CB LEU A 34 -15.368 15.812 -2.921 1.00 0.00 C ATOM 504 CG LEU A 34 -14.159 15.312 -2.126 1.00 0.00 C ATOM 505 CD1 LEU A 34 -12.894 15.405 -2.967 1.00 0.00 C ATOM 506 CD2 LEU A 34 -14.004 16.106 -0.838 1.00 0.00 C ATOM 0 H LEU A 34 -16.492 13.799 -1.782 1.00 0.00 H new ATOM 0 HA LEU A 34 -16.869 15.194 -4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -15.022 16.533 -3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -16.033 16.346 -2.242 1.00 0.00 H new ATOM 0 HG LEU A 34 -14.324 14.266 -1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -12.044 15.046 -2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -13.007 14.794 -3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -12.724 16.442 -3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.140 15.737 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.860 17.160 -1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -14.901 15.990 -0.229 1.00 0.00 H new ATOM 518 N PHE A 35 -14.999 12.609 -3.952 1.00 0.00 N ATOM 519 CA PHE A 35 -14.117 11.675 -4.643 1.00 0.00 C ATOM 520 C PHE A 35 -14.446 10.229 -4.290 1.00 0.00 C ATOM 521 O PHE A 35 -14.751 9.910 -3.141 1.00 0.00 O ATOM 522 CB PHE A 35 -12.657 11.967 -4.290 1.00 0.00 C ATOM 523 CG PHE A 35 -11.766 12.119 -5.491 1.00 0.00 C ATOM 524 CD1 PHE A 35 -11.592 11.069 -6.379 1.00 0.00 C ATOM 525 CD2 PHE A 35 -11.102 13.312 -5.731 1.00 0.00 C ATOM 526 CE1 PHE A 35 -10.772 11.206 -7.483 1.00 0.00 C ATOM 527 CE2 PHE A 35 -10.281 13.454 -6.834 1.00 0.00 C ATOM 528 CZ PHE A 35 -10.116 12.399 -7.711 1.00 0.00 C ATOM 0 H PHE A 35 -15.401 12.252 -3.085 1.00 0.00 H new ATOM 0 HA PHE A 35 -14.270 11.809 -5.714 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.611 12.880 -3.696 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -12.275 11.160 -3.664 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -12.103 10.133 -6.206 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -11.228 14.140 -5.049 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -10.644 10.380 -8.167 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -9.769 14.389 -7.010 1.00 0.00 H new ATOM 0 HZ PHE A 35 -9.475 12.508 -8.573 1.00 0.00 H new ATOM 538 N ARG A 36 -14.355 9.357 -5.288 1.00 0.00 N ATOM 539 CA ARG A 36 -14.613 7.935 -5.094 1.00 0.00 C ATOM 540 C ARG A 36 -16.079 7.665 -4.754 1.00 0.00 C ATOM 541 O ARG A 36 -16.844 7.222 -5.611 1.00 0.00 O ATOM 542 CB ARG A 36 -13.694 7.375 -4.000 1.00 0.00 C ATOM 543 CG ARG A 36 -12.318 8.033 -3.962 1.00 0.00 C ATOM 544 CD ARG A 36 -11.204 7.028 -4.199 1.00 0.00 C ATOM 545 NE ARG A 36 -10.005 7.668 -4.733 1.00 0.00 N ATOM 546 CZ ARG A 36 -8.768 7.216 -4.534 1.00 0.00 C ATOM 547 NH1 ARG A 36 -8.559 6.111 -3.832 1.00 0.00 N ATOM 548 NH2 ARG A 36 -7.736 7.873 -5.044 1.00 0.00 N ATOM 0 H ARG A 36 -14.103 9.611 -6.243 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.398 7.427 -6.034 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.176 7.504 -3.031 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.571 6.303 -4.154 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.268 8.815 -4.719 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.173 8.515 -2.995 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.962 6.525 -3.263 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.547 6.261 -4.893 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.122 8.513 -5.293 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.349 5.599 -3.439 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.608 5.772 -3.685 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.890 8.722 -5.587 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.788 7.529 -4.893 1.00 0.00 H new ATOM 562 N SER A 37 -16.466 7.928 -3.507 1.00 0.00 N ATOM 563 CA SER A 37 -17.842 7.704 -3.068 1.00 0.00 C ATOM 564 C SER A 37 -18.208 6.224 -3.142 1.00 0.00 C ATOM 565 O SER A 37 -18.245 5.535 -2.123 1.00 0.00 O ATOM 566 CB SER A 37 -18.818 8.518 -3.918 1.00 0.00 C ATOM 567 OG SER A 37 -18.652 9.908 -3.699 1.00 0.00 O ATOM 0 H SER A 37 -15.847 8.296 -2.784 1.00 0.00 H new ATOM 0 HA SER A 37 -17.915 8.030 -2.030 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.662 8.292 -4.973 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.841 8.229 -3.679 1.00 0.00 H new ATOM 0 HG SER A 37 -17.972 10.051 -3.008 1.00 0.00 H new ATOM 573 N LYS A 38 -18.477 5.741 -4.352 1.00 0.00 N ATOM 574 CA LYS A 38 -18.839 4.342 -4.558 1.00 0.00 C ATOM 575 C LYS A 38 -17.642 3.432 -4.300 1.00 0.00 C ATOM 576 O LYS A 38 -17.137 2.772 -5.209 1.00 0.00 O ATOM 577 CB LYS A 38 -19.365 4.131 -5.979 1.00 0.00 C ATOM 578 CG LYS A 38 -20.833 4.496 -6.142 1.00 0.00 C ATOM 579 CD LYS A 38 -21.009 5.742 -6.997 1.00 0.00 C ATOM 580 CE LYS A 38 -22.074 6.665 -6.424 1.00 0.00 C ATOM 581 NZ LYS A 38 -21.747 7.098 -5.037 1.00 0.00 N ATOM 0 H LYS A 38 -18.451 6.299 -5.206 1.00 0.00 H new ATOM 0 HA LYS A 38 -19.627 4.086 -3.850 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -18.771 4.729 -6.670 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -19.225 3.087 -6.259 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -21.367 3.663 -6.598 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -21.278 4.661 -5.161 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -20.061 6.276 -7.064 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -21.284 5.453 -8.011 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -22.176 7.542 -7.063 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -23.037 6.154 -6.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -22.456 6.718 -4.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -20.805 6.742 -4.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -21.751 8.137 -4.988 1.00 0.00 H new ATOM 595 N GLN A 39 -17.190 3.412 -3.053 1.00 0.00 N ATOM 596 CA GLN A 39 -16.046 2.598 -2.658 1.00 0.00 C ATOM 597 C GLN A 39 -16.467 1.176 -2.292 1.00 0.00 C ATOM 598 O GLN A 39 -17.644 0.825 -2.375 1.00 0.00 O ATOM 599 CB GLN A 39 -15.316 3.244 -1.485 1.00 0.00 C ATOM 600 CG GLN A 39 -14.224 4.215 -1.907 1.00 0.00 C ATOM 601 CD GLN A 39 -13.237 3.598 -2.878 1.00 0.00 C ATOM 602 OE1 GLN A 39 -12.915 4.186 -3.911 1.00 0.00 O ATOM 603 NE2 GLN A 39 -12.751 2.406 -2.551 1.00 0.00 N ATOM 0 H GLN A 39 -17.601 3.954 -2.293 1.00 0.00 H new ATOM 0 HA GLN A 39 -15.372 2.539 -3.513 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -16.040 3.772 -0.864 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -14.876 2.462 -0.867 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -14.680 5.091 -2.367 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.689 4.561 -1.022 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.046 1.955 -1.685 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.083 1.941 -3.166 1.00 0.00 H new ATOM 612 N PHE A 40 -15.488 0.362 -1.893 1.00 0.00 N ATOM 613 CA PHE A 40 -15.733 -1.031 -1.515 1.00 0.00 C ATOM 614 C PHE A 40 -14.404 -1.797 -1.407 1.00 0.00 C ATOM 615 O PHE A 40 -13.597 -1.506 -0.525 1.00 0.00 O ATOM 616 CB PHE A 40 -16.685 -1.708 -2.517 1.00 0.00 C ATOM 617 CG PHE A 40 -16.401 -1.381 -3.964 1.00 0.00 C ATOM 618 CD1 PHE A 40 -15.144 -0.955 -4.370 1.00 0.00 C ATOM 619 CD2 PHE A 40 -17.399 -1.509 -4.920 1.00 0.00 C ATOM 620 CE1 PHE A 40 -14.889 -0.664 -5.698 1.00 0.00 C ATOM 621 CE2 PHE A 40 -17.149 -1.217 -6.248 1.00 0.00 C ATOM 622 CZ PHE A 40 -15.894 -0.794 -6.636 1.00 0.00 C ATOM 0 H PHE A 40 -14.511 0.646 -1.823 1.00 0.00 H new ATOM 0 HA PHE A 40 -16.214 -1.047 -0.537 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -16.626 -2.788 -2.383 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -17.708 -1.413 -2.284 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -14.355 -0.849 -3.640 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -18.383 -1.841 -4.623 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -13.906 -0.336 -6.001 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -17.935 -1.320 -6.981 1.00 0.00 H new ATOM 0 HZ PHE A 40 -15.698 -0.565 -7.673 1.00 0.00 H new ATOM 632 N ALA A 41 -14.168 -2.765 -2.299 1.00 0.00 N ATOM 633 CA ALA A 41 -12.929 -3.535 -2.273 1.00 0.00 C ATOM 634 C ALA A 41 -12.557 -4.032 -3.664 1.00 0.00 C ATOM 635 O ALA A 41 -13.423 -4.233 -4.515 1.00 0.00 O ATOM 636 CB ALA A 41 -13.049 -4.707 -1.309 1.00 0.00 C ATOM 0 H ALA A 41 -14.816 -3.029 -3.041 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.134 -2.874 -1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.116 -5.270 -1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.254 -4.333 -0.306 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.863 -5.358 -1.627 1.00 0.00 H new ATOM 642 N VAL A 42 -11.261 -4.227 -3.887 1.00 0.00 N ATOM 643 CA VAL A 42 -10.773 -4.700 -5.174 1.00 0.00 C ATOM 644 C VAL A 42 -9.633 -5.696 -5.000 1.00 0.00 C ATOM 645 O VAL A 42 -9.057 -5.814 -3.918 1.00 0.00 O ATOM 646 CB VAL A 42 -10.283 -3.531 -6.053 1.00 0.00 C ATOM 647 CG1 VAL A 42 -11.330 -2.430 -6.107 1.00 0.00 C ATOM 648 CG2 VAL A 42 -8.953 -2.987 -5.542 1.00 0.00 C ATOM 0 H VAL A 42 -10.532 -4.064 -3.193 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.612 -5.193 -5.666 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.127 -3.907 -7.064 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.967 -1.613 -6.731 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.254 -2.827 -6.529 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.521 -2.059 -5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.628 -2.164 -6.178 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.075 -2.629 -4.520 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.204 -3.779 -5.563 1.00 0.00 H new ATOM 658 N LYS A 43 -9.301 -6.398 -6.076 1.00 0.00 N ATOM 659 CA LYS A 43 -8.215 -7.366 -6.046 1.00 0.00 C ATOM 660 C LYS A 43 -7.046 -6.864 -6.884 1.00 0.00 C ATOM 661 O LYS A 43 -7.184 -6.641 -8.086 1.00 0.00 O ATOM 662 CB LYS A 43 -8.697 -8.723 -6.569 1.00 0.00 C ATOM 663 CG LYS A 43 -8.844 -9.777 -5.484 1.00 0.00 C ATOM 664 CD LYS A 43 -10.293 -9.945 -5.064 1.00 0.00 C ATOM 665 CE LYS A 43 -10.664 -8.973 -3.958 1.00 0.00 C ATOM 666 NZ LYS A 43 -12.049 -9.200 -3.459 1.00 0.00 N ATOM 0 H LYS A 43 -9.768 -6.314 -6.979 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.883 -7.489 -5.015 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.657 -8.590 -7.067 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.995 -9.083 -7.321 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.456 -10.729 -5.846 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.244 -9.496 -4.619 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.944 -9.786 -5.924 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.459 -10.967 -4.723 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.960 -9.076 -3.133 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.574 -7.951 -4.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.468 -8.292 -3.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.625 -9.624 -4.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.023 -9.843 -2.642 1.00 0.00 H new ATOM 680 N ARG A 44 -5.898 -6.679 -6.243 1.00 0.00 N ATOM 681 CA ARG A 44 -4.714 -6.192 -6.940 1.00 0.00 C ATOM 682 C ARG A 44 -3.485 -7.008 -6.568 1.00 0.00 C ATOM 683 O ARG A 44 -3.320 -7.414 -5.418 1.00 0.00 O ATOM 684 CB ARG A 44 -4.479 -4.715 -6.617 1.00 0.00 C ATOM 685 CG ARG A 44 -3.850 -3.927 -7.758 1.00 0.00 C ATOM 686 CD ARG A 44 -4.613 -4.109 -9.064 1.00 0.00 C ATOM 687 NE ARG A 44 -6.052 -4.258 -8.852 1.00 0.00 N ATOM 688 CZ ARG A 44 -6.851 -3.269 -8.460 1.00 0.00 C ATOM 689 NH1 ARG A 44 -6.356 -2.061 -8.216 1.00 0.00 N ATOM 690 NH2 ARG A 44 -8.150 -3.489 -8.306 1.00 0.00 N ATOM 0 H ARG A 44 -5.762 -6.858 -5.248 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.885 -6.301 -8.011 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.431 -4.255 -6.352 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.835 -4.643 -5.740 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.824 -2.869 -7.497 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.817 -4.247 -7.894 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.431 -3.251 -9.711 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.232 -4.988 -9.585 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.468 -5.175 -9.014 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.357 -1.887 -8.329 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.974 -1.308 -7.916 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.535 -4.416 -8.488 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.763 -2.732 -8.005 1.00 0.00 H new ATOM 704 N ARG A 45 -2.624 -7.245 -7.550 1.00 0.00 N ATOM 705 CA ARG A 45 -1.408 -8.012 -7.327 1.00 0.00 C ATOM 706 C ARG A 45 -0.347 -7.155 -6.645 1.00 0.00 C ATOM 707 O ARG A 45 -0.435 -5.927 -6.642 1.00 0.00 O ATOM 708 CB ARG A 45 -0.869 -8.554 -8.652 1.00 0.00 C ATOM 709 CG ARG A 45 -0.449 -7.468 -9.628 1.00 0.00 C ATOM 710 CD ARG A 45 -0.471 -7.970 -11.063 1.00 0.00 C ATOM 711 NE ARG A 45 0.316 -7.120 -11.954 1.00 0.00 N ATOM 712 CZ ARG A 45 0.390 -7.297 -13.271 1.00 0.00 C ATOM 713 NH1 ARG A 45 -0.270 -8.292 -13.853 1.00 0.00 N ATOM 714 NH2 ARG A 45 1.127 -6.479 -14.008 1.00 0.00 N ATOM 0 H ARG A 45 -2.747 -6.917 -8.508 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.650 -8.851 -6.674 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.014 -9.200 -8.450 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.634 -9.175 -9.119 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.116 -6.612 -9.531 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.554 -7.121 -9.378 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.082 -8.988 -11.097 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.501 -8.010 -11.417 1.00 0.00 H new ATOM 0 HE ARG A 45 0.839 -6.347 -11.543 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.838 -8.926 -13.290 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.209 -8.422 -14.863 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.637 -5.714 -13.566 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.184 -6.614 -15.017 1.00 0.00 H new ATOM 728 N PHE A 46 0.654 -7.809 -6.068 1.00 0.00 N ATOM 729 CA PHE A 46 1.731 -7.106 -5.382 1.00 0.00 C ATOM 730 C PHE A 46 2.587 -6.316 -6.368 1.00 0.00 C ATOM 731 O PHE A 46 3.183 -5.300 -6.013 1.00 0.00 O ATOM 732 CB PHE A 46 2.607 -8.099 -4.615 1.00 0.00 C ATOM 733 CG PHE A 46 3.165 -9.198 -5.474 1.00 0.00 C ATOM 734 CD1 PHE A 46 4.356 -9.020 -6.159 1.00 0.00 C ATOM 735 CD2 PHE A 46 2.498 -10.407 -5.596 1.00 0.00 C ATOM 736 CE1 PHE A 46 4.873 -10.029 -6.950 1.00 0.00 C ATOM 737 CE2 PHE A 46 3.011 -11.419 -6.386 1.00 0.00 C ATOM 738 CZ PHE A 46 4.200 -11.229 -7.063 1.00 0.00 C ATOM 0 H PHE A 46 0.742 -8.825 -6.062 1.00 0.00 H new ATOM 0 HA PHE A 46 1.280 -6.405 -4.679 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.432 -7.559 -4.150 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.021 -8.541 -3.810 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.886 -8.083 -6.074 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.568 -10.560 -5.069 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.802 -9.879 -7.479 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.483 -12.357 -6.474 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.603 -12.019 -7.680 1.00 0.00 H new ATOM 748 N SER A 47 2.645 -6.792 -7.608 1.00 0.00 N ATOM 749 CA SER A 47 3.431 -6.136 -8.648 1.00 0.00 C ATOM 750 C SER A 47 2.999 -4.684 -8.838 1.00 0.00 C ATOM 751 O SER A 47 3.836 -3.784 -8.914 1.00 0.00 O ATOM 752 CB SER A 47 3.302 -6.897 -9.969 1.00 0.00 C ATOM 753 OG SER A 47 2.891 -8.235 -9.750 1.00 0.00 O ATOM 0 H SER A 47 2.156 -7.632 -7.918 1.00 0.00 H new ATOM 0 HA SER A 47 4.474 -6.141 -8.331 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.582 -6.393 -10.613 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.258 -6.888 -10.492 1.00 0.00 H new ATOM 0 HG SER A 47 2.815 -8.699 -10.610 1.00 0.00 H new ATOM 759 N ASP A 48 1.691 -4.462 -8.921 1.00 0.00 N ATOM 760 CA ASP A 48 1.155 -3.117 -9.108 1.00 0.00 C ATOM 761 C ASP A 48 1.238 -2.311 -7.814 1.00 0.00 C ATOM 762 O ASP A 48 1.740 -1.187 -7.802 1.00 0.00 O ATOM 763 CB ASP A 48 -0.297 -3.183 -9.592 1.00 0.00 C ATOM 764 CG ASP A 48 -0.522 -2.394 -10.870 1.00 0.00 C ATOM 765 OD1 ASP A 48 0.384 -1.632 -11.267 1.00 0.00 O ATOM 766 OD2 ASP A 48 -1.607 -2.538 -11.471 1.00 0.00 O ATOM 0 H ASP A 48 0.983 -5.194 -8.862 1.00 0.00 H new ATOM 0 HA ASP A 48 1.759 -2.616 -9.865 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.574 -4.224 -9.758 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.954 -2.799 -8.812 1.00 0.00 H new ATOM 771 N PHE A 49 0.741 -2.895 -6.727 1.00 0.00 N ATOM 772 CA PHE A 49 0.757 -2.233 -5.425 1.00 0.00 C ATOM 773 C PHE A 49 2.174 -1.848 -5.030 1.00 0.00 C ATOM 774 O PHE A 49 2.417 -0.763 -4.501 1.00 0.00 O ATOM 775 CB PHE A 49 0.157 -3.154 -4.365 1.00 0.00 C ATOM 776 CG PHE A 49 -1.246 -2.789 -3.998 1.00 0.00 C ATOM 777 CD1 PHE A 49 -1.567 -1.483 -3.685 1.00 0.00 C ATOM 778 CD2 PHE A 49 -2.238 -3.749 -3.970 1.00 0.00 C ATOM 779 CE1 PHE A 49 -2.860 -1.135 -3.346 1.00 0.00 C ATOM 780 CE2 PHE A 49 -3.535 -3.412 -3.633 1.00 0.00 C ATOM 781 CZ PHE A 49 -3.847 -2.102 -3.319 1.00 0.00 C ATOM 0 H PHE A 49 0.322 -3.825 -6.721 1.00 0.00 H new ATOM 0 HA PHE A 49 0.159 -1.324 -5.496 1.00 0.00 H new ATOM 0 HB2 PHE A 49 0.175 -4.180 -4.731 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.780 -3.124 -3.471 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.798 -0.725 -3.705 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.998 -4.773 -4.214 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.099 -0.110 -3.103 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.304 -4.170 -3.615 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.859 -1.835 -3.053 1.00 0.00 H new ATOM 791 N LEU A 50 3.103 -2.751 -5.293 1.00 0.00 N ATOM 792 CA LEU A 50 4.510 -2.533 -4.975 1.00 0.00 C ATOM 793 C LEU A 50 5.019 -1.242 -5.614 1.00 0.00 C ATOM 794 O LEU A 50 5.887 -0.566 -5.063 1.00 0.00 O ATOM 795 CB LEU A 50 5.354 -3.720 -5.447 1.00 0.00 C ATOM 796 CG LEU A 50 6.861 -3.575 -5.215 1.00 0.00 C ATOM 797 CD1 LEU A 50 7.365 -4.650 -4.262 1.00 0.00 C ATOM 798 CD2 LEU A 50 7.616 -3.637 -6.535 1.00 0.00 C ATOM 0 H LEU A 50 2.909 -3.652 -5.730 1.00 0.00 H new ATOM 0 HA LEU A 50 4.602 -2.442 -3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.008 -4.619 -4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.178 -3.871 -6.512 1.00 0.00 H new ATOM 0 HG LEU A 50 7.042 -2.601 -4.760 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.438 -4.529 -4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.851 -4.558 -3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.167 -5.634 -4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.685 -3.532 -6.348 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.425 -4.595 -7.019 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.280 -2.829 -7.185 1.00 0.00 H new ATOM 810 N GLY A 51 4.478 -0.909 -6.783 1.00 0.00 N ATOM 811 CA GLY A 51 4.894 0.296 -7.482 1.00 0.00 C ATOM 812 C GLY A 51 4.923 1.524 -6.587 1.00 0.00 C ATOM 813 O GLY A 51 5.778 2.392 -6.751 1.00 0.00 O ATOM 0 H GLY A 51 3.758 -1.452 -7.259 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.886 0.139 -7.906 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.216 0.477 -8.316 1.00 0.00 H new ATOM 817 N LEU A 52 3.998 1.593 -5.635 1.00 0.00 N ATOM 818 CA LEU A 52 3.937 2.719 -4.709 1.00 0.00 C ATOM 819 C LEU A 52 4.907 2.506 -3.569 1.00 0.00 C ATOM 820 O LEU A 52 5.768 3.339 -3.290 1.00 0.00 O ATOM 821 CB LEU A 52 2.528 2.869 -4.136 1.00 0.00 C ATOM 822 CG LEU A 52 1.426 3.136 -5.154 1.00 0.00 C ATOM 823 CD1 LEU A 52 0.270 3.858 -4.482 1.00 0.00 C ATOM 824 CD2 LEU A 52 1.968 3.940 -6.325 1.00 0.00 C ATOM 0 H LEU A 52 3.281 0.883 -5.484 1.00 0.00 H new ATOM 0 HA LEU A 52 4.202 3.623 -5.258 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.279 1.960 -3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.535 3.684 -3.413 1.00 0.00 H new ATOM 0 HG LEU A 52 1.060 2.186 -5.544 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.516 4.047 -5.214 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.126 3.240 -3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.621 4.806 -4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.168 4.122 -7.043 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.355 4.893 -5.964 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.770 3.382 -6.809 1.00 0.00 H new ATOM 836 N TYR A 53 4.738 1.376 -2.911 1.00 0.00 N ATOM 837 CA TYR A 53 5.575 1.012 -1.776 1.00 0.00 C ATOM 838 C TYR A 53 7.056 1.093 -2.147 1.00 0.00 C ATOM 839 O TYR A 53 7.880 1.547 -1.354 1.00 0.00 O ATOM 840 CB TYR A 53 5.220 -0.400 -1.295 1.00 0.00 C ATOM 841 CG TYR A 53 6.278 -1.046 -0.423 1.00 0.00 C ATOM 842 CD1 TYR A 53 7.396 -1.646 -0.986 1.00 0.00 C ATOM 843 CD2 TYR A 53 6.153 -1.056 0.961 1.00 0.00 C ATOM 844 CE1 TYR A 53 8.362 -2.239 -0.196 1.00 0.00 C ATOM 845 CE2 TYR A 53 7.117 -1.647 1.759 1.00 0.00 C ATOM 846 CZ TYR A 53 8.218 -2.236 1.175 1.00 0.00 C ATOM 847 OH TYR A 53 9.178 -2.826 1.964 1.00 0.00 O ATOM 0 H TYR A 53 4.023 0.686 -3.143 1.00 0.00 H new ATOM 0 HA TYR A 53 5.389 1.718 -0.967 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.284 -0.357 -0.738 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.045 -1.034 -2.164 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.513 -1.649 -2.060 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.291 -0.596 1.421 1.00 0.00 H new ATOM 0 HE1 TYR A 53 9.225 -2.702 -0.650 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.007 -1.647 2.833 1.00 0.00 H new ATOM 0 HH TYR A 53 8.927 -2.736 2.907 1.00 0.00 H new ATOM 857 N GLU A 54 7.384 0.656 -3.357 1.00 0.00 N ATOM 858 CA GLU A 54 8.763 0.688 -3.833 1.00 0.00 C ATOM 859 C GLU A 54 9.169 2.104 -4.231 1.00 0.00 C ATOM 860 O GLU A 54 10.275 2.551 -3.929 1.00 0.00 O ATOM 861 CB GLU A 54 8.937 -0.257 -5.022 1.00 0.00 C ATOM 862 CG GLU A 54 10.326 -0.868 -5.116 1.00 0.00 C ATOM 863 CD GLU A 54 10.293 -2.376 -5.266 1.00 0.00 C ATOM 864 OE1 GLU A 54 10.111 -3.072 -4.244 1.00 0.00 O ATOM 865 OE2 GLU A 54 10.449 -2.863 -6.405 1.00 0.00 O ATOM 0 H GLU A 54 6.715 0.275 -4.026 1.00 0.00 H new ATOM 0 HA GLU A 54 9.409 0.359 -3.019 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.201 -1.058 -4.950 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.726 0.288 -5.942 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.853 -0.434 -5.966 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.894 -0.608 -4.223 1.00 0.00 H new ATOM 872 N LYS A 55 8.266 2.802 -4.915 1.00 0.00 N ATOM 873 CA LYS A 55 8.529 4.166 -5.364 1.00 0.00 C ATOM 874 C LYS A 55 8.689 5.119 -4.182 1.00 0.00 C ATOM 875 O LYS A 55 9.631 5.905 -4.130 1.00 0.00 O ATOM 876 CB LYS A 55 7.395 4.658 -6.266 1.00 0.00 C ATOM 877 CG LYS A 55 7.541 4.225 -7.716 1.00 0.00 C ATOM 878 CD LYS A 55 6.346 4.661 -8.548 1.00 0.00 C ATOM 879 CE LYS A 55 6.512 6.082 -9.065 1.00 0.00 C ATOM 880 NZ LYS A 55 5.369 6.954 -8.675 1.00 0.00 N ATOM 0 H LYS A 55 7.345 2.445 -5.170 1.00 0.00 H new ATOM 0 HA LYS A 55 9.462 4.153 -5.927 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.446 4.287 -5.878 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.353 5.746 -6.223 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.453 4.651 -8.135 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.644 3.141 -7.765 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.220 3.980 -9.389 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.440 4.596 -7.946 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.439 6.503 -8.676 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.601 6.065 -10.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.144 7.602 -9.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.539 6.364 -8.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.625 7.506 -7.831 1.00 0.00 H new ATOM 894 N LEU A 56 7.754 5.050 -3.243 1.00 0.00 N ATOM 895 CA LEU A 56 7.775 5.915 -2.067 1.00 0.00 C ATOM 896 C LEU A 56 9.137 5.904 -1.368 1.00 0.00 C ATOM 897 O LEU A 56 9.631 6.949 -0.945 1.00 0.00 O ATOM 898 CB LEU A 56 6.685 5.486 -1.083 1.00 0.00 C ATOM 899 CG LEU A 56 5.352 6.222 -1.234 1.00 0.00 C ATOM 900 CD1 LEU A 56 4.597 5.718 -2.455 1.00 0.00 C ATOM 901 CD2 LEU A 56 4.509 6.057 0.021 1.00 0.00 C ATOM 0 H LEU A 56 6.967 4.401 -3.272 1.00 0.00 H new ATOM 0 HA LEU A 56 7.587 6.933 -2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.508 4.417 -1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.053 5.636 -0.068 1.00 0.00 H new ATOM 0 HG LEU A 56 5.559 7.283 -1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.652 6.254 -2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.197 5.887 -3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.401 4.651 -2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.564 6.587 -0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.312 4.998 0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.046 6.468 0.876 1.00 0.00 H new ATOM 913 N SER A 57 9.728 4.722 -1.230 1.00 0.00 N ATOM 914 CA SER A 57 11.019 4.588 -0.559 1.00 0.00 C ATOM 915 C SER A 57 12.180 5.049 -1.441 1.00 0.00 C ATOM 916 O SER A 57 13.082 5.744 -0.975 1.00 0.00 O ATOM 917 CB SER A 57 11.243 3.135 -0.131 1.00 0.00 C ATOM 918 OG SER A 57 12.529 2.962 0.436 1.00 0.00 O ATOM 0 H SER A 57 9.336 3.845 -1.572 1.00 0.00 H new ATOM 0 HA SER A 57 10.994 5.233 0.319 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.481 2.844 0.593 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.131 2.478 -0.993 1.00 0.00 H new ATOM 0 HG SER A 57 12.646 2.026 0.702 1.00 0.00 H new ATOM 924 N GLU A 58 12.165 4.649 -2.708 1.00 0.00 N ATOM 925 CA GLU A 58 13.233 5.015 -3.635 1.00 0.00 C ATOM 926 C GLU A 58 13.126 6.473 -4.077 1.00 0.00 C ATOM 927 O GLU A 58 14.113 7.208 -4.060 1.00 0.00 O ATOM 928 CB GLU A 58 13.211 4.098 -4.858 1.00 0.00 C ATOM 929 CG GLU A 58 11.918 4.177 -5.651 1.00 0.00 C ATOM 930 CD GLU A 58 11.636 2.910 -6.434 1.00 0.00 C ATOM 931 OE1 GLU A 58 11.682 1.817 -5.832 1.00 0.00 O ATOM 932 OE2 GLU A 58 11.370 3.011 -7.650 1.00 0.00 O ATOM 0 H GLU A 58 11.429 4.073 -3.117 1.00 0.00 H new ATOM 0 HA GLU A 58 14.179 4.894 -3.107 1.00 0.00 H new ATOM 0 HB2 GLU A 58 14.045 4.356 -5.511 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.367 3.069 -4.534 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.090 4.371 -4.970 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.969 5.021 -6.339 1.00 0.00 H new ATOM 939 N LYS A 59 11.929 6.884 -4.482 1.00 0.00 N ATOM 940 CA LYS A 59 11.704 8.252 -4.937 1.00 0.00 C ATOM 941 C LYS A 59 12.099 9.263 -3.863 1.00 0.00 C ATOM 942 O LYS A 59 12.775 10.251 -4.149 1.00 0.00 O ATOM 943 CB LYS A 59 10.238 8.449 -5.325 1.00 0.00 C ATOM 944 CG LYS A 59 10.039 9.429 -6.470 1.00 0.00 C ATOM 945 CD LYS A 59 10.097 8.728 -7.819 1.00 0.00 C ATOM 946 CE LYS A 59 10.903 9.528 -8.829 1.00 0.00 C ATOM 947 NZ LYS A 59 12.295 9.773 -8.362 1.00 0.00 N ATOM 0 H LYS A 59 11.100 6.290 -4.505 1.00 0.00 H new ATOM 0 HA LYS A 59 12.331 8.421 -5.812 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.812 7.485 -5.604 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.685 8.802 -4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.077 9.929 -6.359 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.807 10.202 -6.427 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.542 7.740 -7.698 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.085 8.578 -8.196 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.928 8.993 -9.778 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.409 10.482 -9.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.915 9.923 -9.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.314 10.617 -7.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.630 8.950 -7.822 1.00 0.00 H new ATOM 961 N HIS A 60 11.673 9.013 -2.628 1.00 0.00 N ATOM 962 CA HIS A 60 11.986 9.907 -1.518 1.00 0.00 C ATOM 963 C HIS A 60 11.353 9.416 -0.220 1.00 0.00 C ATOM 964 O HIS A 60 10.155 9.590 0.002 1.00 0.00 O ATOM 965 CB HIS A 60 11.504 11.328 -1.825 1.00 0.00 C ATOM 966 CG HIS A 60 12.596 12.245 -2.281 1.00 0.00 C ATOM 967 ND1 HIS A 60 13.887 12.177 -1.801 1.00 0.00 N ATOM 968 CD2 HIS A 60 12.586 13.258 -3.182 1.00 0.00 C ATOM 969 CE1 HIS A 60 14.621 13.107 -2.384 1.00 0.00 C ATOM 970 NE2 HIS A 60 13.856 13.775 -3.226 1.00 0.00 N ATOM 0 H HIS A 60 11.112 8.201 -2.371 1.00 0.00 H new ATOM 0 HA HIS A 60 13.069 9.915 -1.392 1.00 0.00 H new ATOM 0 HB2 HIS A 60 10.733 11.283 -2.595 1.00 0.00 H new ATOM 0 HB3 HIS A 60 11.039 11.746 -0.932 1.00 0.00 H new ATOM 0 HD2 HIS A 60 11.737 13.595 -3.758 1.00 0.00 H new ATOM 0 HE1 HIS A 60 15.670 13.290 -2.202 1.00 0.00 H new ATOM 0 HE2 HIS A 60 14.160 14.551 -3.815 1.00 0.00 H new ATOM 979 N SER A 61 12.166 8.807 0.636 1.00 0.00 N ATOM 980 CA SER A 61 11.685 8.298 1.915 1.00 0.00 C ATOM 981 C SER A 61 11.571 9.429 2.933 1.00 0.00 C ATOM 982 O SER A 61 12.449 10.288 3.020 1.00 0.00 O ATOM 983 CB SER A 61 12.623 7.211 2.443 1.00 0.00 C ATOM 984 OG SER A 61 13.940 7.390 1.951 1.00 0.00 O ATOM 0 H SER A 61 13.160 8.654 0.468 1.00 0.00 H new ATOM 0 HA SER A 61 10.696 7.866 1.761 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.633 7.233 3.533 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.251 6.230 2.147 1.00 0.00 H new ATOM 0 HG SER A 61 14.520 6.684 2.304 1.00 0.00 H new ATOM 990 N GLN A 62 10.484 9.427 3.698 1.00 0.00 N ATOM 991 CA GLN A 62 10.260 10.458 4.705 1.00 0.00 C ATOM 992 C GLN A 62 10.137 11.836 4.044 1.00 0.00 C ATOM 993 O GLN A 62 9.395 11.994 3.074 1.00 0.00 O ATOM 994 CB GLN A 62 11.395 10.440 5.736 1.00 0.00 C ATOM 995 CG GLN A 62 11.650 9.066 6.337 1.00 0.00 C ATOM 996 CD GLN A 62 11.261 8.988 7.801 1.00 0.00 C ATOM 997 OE1 GLN A 62 10.556 9.857 8.316 1.00 0.00 O ATOM 998 NE2 GLN A 62 11.721 7.945 8.482 1.00 0.00 N ATOM 0 H GLN A 62 9.746 8.725 3.640 1.00 0.00 H new ATOM 0 HA GLN A 62 9.323 10.251 5.222 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.310 10.796 5.263 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.158 11.140 6.537 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.090 8.318 5.776 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.706 8.818 6.232 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.302 7.248 8.016 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.493 7.841 9.471 1.00 0.00 H new ATOM 1007 N ASN A 63 10.857 12.834 4.563 1.00 0.00 N ATOM 1008 CA ASN A 63 10.808 14.182 4.004 1.00 0.00 C ATOM 1009 C ASN A 63 11.031 14.162 2.494 1.00 0.00 C ATOM 1010 O ASN A 63 12.095 13.765 2.018 1.00 0.00 O ATOM 1011 CB ASN A 63 11.857 15.072 4.673 1.00 0.00 C ATOM 1012 CG ASN A 63 11.299 15.839 5.855 1.00 0.00 C ATOM 1013 OD1 ASN A 63 10.295 16.669 5.601 1.00 0.00 O flip ATOM 1014 ND2 ASN A 63 11.766 15.686 6.984 1.00 0.00 N flip ATOM 0 H ASN A 63 11.478 12.732 5.366 1.00 0.00 H new ATOM 0 HA ASN A 63 9.815 14.589 4.198 1.00 0.00 H new ATOM 0 HB2 ASN A 63 12.693 14.456 5.005 1.00 0.00 H new ATOM 0 HB3 ASN A 63 12.252 15.776 3.941 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.538 15.037 7.133 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.380 16.209 7.771 1.00 0.00 H new ATOM 1021 N GLY A 64 10.020 14.594 1.746 1.00 0.00 N ATOM 1022 CA GLY A 64 10.123 14.619 0.299 1.00 0.00 C ATOM 1023 C GLY A 64 8.766 14.635 -0.380 1.00 0.00 C ATOM 1024 O GLY A 64 8.555 13.939 -1.372 1.00 0.00 O ATOM 0 H GLY A 64 9.130 14.927 2.117 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.689 15.499 -0.007 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.684 13.747 -0.037 1.00 0.00 H new ATOM 1028 N PHE A 65 7.847 15.432 0.155 1.00 0.00 N ATOM 1029 CA PHE A 65 6.502 15.532 -0.407 1.00 0.00 C ATOM 1030 C PHE A 65 5.763 16.745 0.150 1.00 0.00 C ATOM 1031 O PHE A 65 5.057 16.644 1.152 1.00 0.00 O ATOM 1032 CB PHE A 65 5.699 14.257 -0.124 1.00 0.00 C ATOM 1033 CG PHE A 65 6.058 13.572 1.168 1.00 0.00 C ATOM 1034 CD1 PHE A 65 6.428 14.304 2.286 1.00 0.00 C ATOM 1035 CD2 PHE A 65 6.020 12.189 1.262 1.00 0.00 C ATOM 1036 CE1 PHE A 65 6.754 13.672 3.470 1.00 0.00 C ATOM 1037 CE2 PHE A 65 6.344 11.552 2.444 1.00 0.00 C ATOM 1038 CZ PHE A 65 6.711 12.294 3.550 1.00 0.00 C ATOM 0 H PHE A 65 8.007 16.017 0.975 1.00 0.00 H new ATOM 0 HA PHE A 65 6.603 15.653 -1.486 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.638 14.506 -0.107 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.849 13.557 -0.946 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.462 15.382 2.230 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.734 11.603 0.401 1.00 0.00 H new ATOM 0 HE1 PHE A 65 7.042 14.255 4.332 1.00 0.00 H new ATOM 0 HE2 PHE A 65 6.310 10.474 2.504 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.964 11.797 4.475 1.00 0.00 H new ATOM 1048 N ILE A 66 5.930 17.889 -0.513 1.00 0.00 N ATOM 1049 CA ILE A 66 5.283 19.139 -0.103 1.00 0.00 C ATOM 1050 C ILE A 66 5.328 19.333 1.417 1.00 0.00 C ATOM 1051 O ILE A 66 6.267 19.931 1.942 1.00 0.00 O ATOM 1052 CB ILE A 66 3.815 19.229 -0.596 1.00 0.00 C ATOM 1053 CG1 ILE A 66 3.227 17.835 -0.845 1.00 0.00 C ATOM 1054 CG2 ILE A 66 3.735 20.072 -1.861 1.00 0.00 C ATOM 1055 CD1 ILE A 66 1.808 17.861 -1.369 1.00 0.00 C ATOM 0 H ILE A 66 6.514 17.978 -1.345 1.00 0.00 H new ATOM 0 HA ILE A 66 5.853 19.939 -0.575 1.00 0.00 H new ATOM 0 HB ILE A 66 3.225 19.707 0.186 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.859 17.305 -1.558 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.251 17.268 0.086 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.699 20.127 -2.197 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.103 21.077 -1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.345 19.617 -2.641 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.458 16.840 -1.522 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.163 18.362 -0.647 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.780 18.400 -2.316 1.00 0.00 H new ATOM 1067 N VAL A 67 4.315 18.828 2.119 1.00 0.00 N ATOM 1068 CA VAL A 67 4.256 18.954 3.570 1.00 0.00 C ATOM 1069 C VAL A 67 5.435 18.236 4.235 1.00 0.00 C ATOM 1070 O VAL A 67 5.501 17.007 4.226 1.00 0.00 O ATOM 1071 CB VAL A 67 2.935 18.386 4.126 1.00 0.00 C ATOM 1072 CG1 VAL A 67 2.809 16.904 3.807 1.00 0.00 C ATOM 1073 CG2 VAL A 67 2.833 18.627 5.625 1.00 0.00 C ATOM 0 H VAL A 67 3.527 18.329 1.706 1.00 0.00 H new ATOM 0 HA VAL A 67 4.310 20.018 3.801 1.00 0.00 H new ATOM 0 HB VAL A 67 2.110 18.908 3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.870 16.524 4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.826 16.762 2.726 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.641 16.363 4.257 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.893 18.218 5.996 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.666 18.138 6.130 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.867 19.698 5.824 1.00 0.00 H new ATOM 1083 N PRO A 68 6.390 18.992 4.813 1.00 0.00 N ATOM 1084 CA PRO A 68 7.567 18.420 5.470 1.00 0.00 C ATOM 1085 C PRO A 68 7.235 17.201 6.336 1.00 0.00 C ATOM 1086 O PRO A 68 7.830 16.137 6.169 1.00 0.00 O ATOM 1087 CB PRO A 68 8.110 19.566 6.340 1.00 0.00 C ATOM 1088 CG PRO A 68 7.217 20.747 6.102 1.00 0.00 C ATOM 1089 CD PRO A 68 6.412 20.458 4.865 1.00 0.00 C ATOM 0 HA PRO A 68 8.285 18.054 4.736 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.109 19.286 7.393 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.141 19.800 6.073 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.561 20.911 6.957 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.807 21.655 5.973 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.407 20.873 4.933 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.874 20.885 3.975 1.00 0.00 H new ATOM 1097 N PRO A 69 6.283 17.343 7.279 1.00 0.00 N ATOM 1098 CA PRO A 69 5.878 16.257 8.176 1.00 0.00 C ATOM 1099 C PRO A 69 5.870 14.885 7.496 1.00 0.00 C ATOM 1100 O PRO A 69 5.055 14.630 6.609 1.00 0.00 O ATOM 1101 CB PRO A 69 4.463 16.667 8.568 1.00 0.00 C ATOM 1102 CG PRO A 69 4.496 18.159 8.578 1.00 0.00 C ATOM 1103 CD PRO A 69 5.526 18.580 7.555 1.00 0.00 C ATOM 0 HA PRO A 69 6.566 16.138 9.013 1.00 0.00 H new ATOM 0 HB2 PRO A 69 3.729 16.291 7.855 1.00 0.00 H new ATOM 0 HB3 PRO A 69 4.191 16.269 9.546 1.00 0.00 H new ATOM 0 HG2 PRO A 69 3.517 18.569 8.332 1.00 0.00 H new ATOM 0 HG3 PRO A 69 4.759 18.533 9.568 1.00 0.00 H new ATOM 0 HD2 PRO A 69 5.056 18.970 6.652 1.00 0.00 H new ATOM 0 HD3 PRO A 69 6.174 19.366 7.942 1.00 0.00 H new ATOM 1111 N PRO A 70 6.779 13.980 7.907 1.00 0.00 N ATOM 1112 CA PRO A 70 6.870 12.632 7.335 1.00 0.00 C ATOM 1113 C PRO A 70 5.525 11.907 7.336 1.00 0.00 C ATOM 1114 O PRO A 70 4.501 12.483 7.706 1.00 0.00 O ATOM 1115 CB PRO A 70 7.862 11.919 8.257 1.00 0.00 C ATOM 1116 CG PRO A 70 8.699 13.011 8.824 1.00 0.00 C ATOM 1117 CD PRO A 70 7.791 14.200 8.960 1.00 0.00 C ATOM 0 HA PRO A 70 7.180 12.655 6.290 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.346 11.366 9.042 1.00 0.00 H new ATOM 0 HB3 PRO A 70 8.468 11.200 7.706 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.113 12.724 9.790 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.542 13.236 8.170 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.337 14.248 9.950 1.00 0.00 H new ATOM 0 HD3 PRO A 70 8.329 15.136 8.811 1.00 0.00 H new ATOM 1125 N PRO A 71 5.507 10.628 6.915 1.00 0.00 N ATOM 1126 CA PRO A 71 4.280 9.824 6.862 1.00 0.00 C ATOM 1127 C PRO A 71 3.737 9.487 8.250 1.00 0.00 C ATOM 1128 O PRO A 71 3.577 8.317 8.595 1.00 0.00 O ATOM 1129 CB PRO A 71 4.712 8.542 6.129 1.00 0.00 C ATOM 1130 CG PRO A 71 6.053 8.843 5.548 1.00 0.00 C ATOM 1131 CD PRO A 71 6.673 9.867 6.451 1.00 0.00 C ATOM 0 HA PRO A 71 3.472 10.361 6.365 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.763 7.697 6.815 1.00 0.00 H new ATOM 0 HB3 PRO A 71 3.998 8.277 5.349 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.667 7.944 5.498 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.961 9.224 4.531 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.212 9.405 7.278 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.385 10.499 5.920 1.00 0.00 H new ATOM 1139 N GLU A 72 3.448 10.519 9.039 1.00 0.00 N ATOM 1140 CA GLU A 72 2.917 10.338 10.389 1.00 0.00 C ATOM 1141 C GLU A 72 3.762 9.350 11.196 1.00 0.00 C ATOM 1142 O GLU A 72 4.693 9.750 11.897 1.00 0.00 O ATOM 1143 CB GLU A 72 1.460 9.868 10.326 1.00 0.00 C ATOM 1144 CG GLU A 72 0.452 11.001 10.429 1.00 0.00 C ATOM 1145 CD GLU A 72 -0.965 10.549 10.135 1.00 0.00 C ATOM 1146 OE1 GLU A 72 -1.330 10.478 8.943 1.00 0.00 O ATOM 1147 OE2 GLU A 72 -1.709 10.268 11.098 1.00 0.00 O ATOM 0 H GLU A 72 3.573 11.494 8.766 1.00 0.00 H new ATOM 0 HA GLU A 72 2.958 11.301 10.897 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.299 9.333 9.390 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.280 9.158 11.133 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.493 11.429 11.431 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.729 11.793 9.733 1.00 0.00 H new ATOM 1154 N LYS A 73 3.438 8.062 11.097 1.00 0.00 N ATOM 1155 CA LYS A 73 4.173 7.030 11.820 1.00 0.00 C ATOM 1156 C LYS A 73 4.714 5.974 10.864 1.00 0.00 C ATOM 1157 O LYS A 73 4.623 6.120 9.645 1.00 0.00 O ATOM 1158 CB LYS A 73 3.273 6.373 12.870 1.00 0.00 C ATOM 1159 CG LYS A 73 2.106 5.601 12.275 1.00 0.00 C ATOM 1160 CD LYS A 73 0.930 6.515 11.962 1.00 0.00 C ATOM 1161 CE LYS A 73 -0.326 6.087 12.705 1.00 0.00 C ATOM 1162 NZ LYS A 73 -1.540 6.185 11.847 1.00 0.00 N ATOM 0 H LYS A 73 2.672 7.710 10.523 1.00 0.00 H new ATOM 0 HA LYS A 73 5.017 7.505 12.321 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.873 5.696 13.478 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.886 7.143 13.537 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.429 5.098 11.364 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.789 4.825 12.972 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.183 7.540 12.234 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.739 6.508 10.889 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.210 5.061 13.053 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.455 6.711 13.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.374 5.885 12.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.666 7.169 11.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.428 5.570 11.016 1.00 0.00 H new ATOM 1176 N SER A 74 5.276 4.908 11.424 1.00 0.00 N ATOM 1177 CA SER A 74 5.831 3.825 10.621 1.00 0.00 C ATOM 1178 C SER A 74 5.800 2.506 11.389 1.00 0.00 C ATOM 1179 O SER A 74 4.922 1.671 11.170 1.00 0.00 O ATOM 1180 CB SER A 74 7.265 4.156 10.203 1.00 0.00 C ATOM 1181 OG SER A 74 7.877 5.038 11.128 1.00 0.00 O ATOM 0 H SER A 74 5.359 4.771 12.431 1.00 0.00 H new ATOM 0 HA SER A 74 5.217 3.716 9.727 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.847 3.237 10.132 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.262 4.609 9.212 1.00 0.00 H new ATOM 0 HG SER A 74 8.793 5.232 10.838 1.00 0.00 H new ATOM 1187 N LEU A 75 6.760 2.326 12.292 1.00 0.00 N ATOM 1188 CA LEU A 75 6.840 1.109 13.092 1.00 0.00 C ATOM 1189 C LEU A 75 6.921 -0.126 12.199 1.00 0.00 C ATOM 1190 O LEU A 75 5.910 -0.589 11.671 1.00 0.00 O ATOM 1191 CB LEU A 75 5.629 1.007 14.022 1.00 0.00 C ATOM 1192 CG LEU A 75 5.963 0.829 15.505 1.00 0.00 C ATOM 1193 CD1 LEU A 75 6.903 -0.350 15.702 1.00 0.00 C ATOM 1194 CD2 LEU A 75 6.576 2.104 16.068 1.00 0.00 C ATOM 0 H LEU A 75 7.493 3.008 12.488 1.00 0.00 H new ATOM 0 HA LEU A 75 7.748 1.156 13.694 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.025 1.907 13.907 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.013 0.167 13.701 1.00 0.00 H new ATOM 0 HG LEU A 75 5.039 0.624 16.046 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.130 -0.461 16.762 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.428 -1.260 15.335 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.827 -0.175 15.150 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.808 1.961 17.123 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.491 2.339 15.524 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.869 2.926 15.960 1.00 0.00 H new ATOM 1206 N ILE A 76 8.130 -0.655 12.037 1.00 0.00 N ATOM 1207 CA ILE A 76 8.343 -1.836 11.211 1.00 0.00 C ATOM 1208 C ILE A 76 9.513 -2.667 11.736 1.00 0.00 C ATOM 1209 O ILE A 76 10.380 -3.093 10.974 1.00 0.00 O ATOM 1210 CB ILE A 76 8.598 -1.450 9.735 1.00 0.00 C ATOM 1211 CG1 ILE A 76 8.491 -2.683 8.832 1.00 0.00 C ATOM 1212 CG2 ILE A 76 9.958 -0.782 9.578 1.00 0.00 C ATOM 1213 CD1 ILE A 76 8.743 -2.385 7.370 1.00 0.00 C ATOM 0 H ILE A 76 8.977 -0.283 12.468 1.00 0.00 H new ATOM 0 HA ILE A 76 7.434 -2.435 11.262 1.00 0.00 H new ATOM 0 HB ILE A 76 7.834 -0.735 9.431 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.205 -3.434 9.170 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.497 -3.117 8.940 1.00 0.00 H new ATOM 0 HG21 ILE A 76 10.116 -0.519 8.532 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.993 0.121 10.188 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.740 -1.469 9.902 1.00 0.00 H new ATOM 0 HD11 ILE A 76 8.651 -3.303 6.790 1.00 0.00 H new ATOM 0 HD12 ILE A 76 8.013 -1.657 7.016 1.00 0.00 H new ATOM 0 HD13 ILE A 76 9.747 -1.979 7.249 1.00 0.00 H new ATOM 1225 N GLY A 77 9.530 -2.889 13.047 1.00 0.00 N ATOM 1226 CA GLY A 77 10.595 -3.665 13.656 1.00 0.00 C ATOM 1227 C GLY A 77 11.178 -2.988 14.881 1.00 0.00 C ATOM 1228 O GLY A 77 11.975 -2.058 14.765 1.00 0.00 O ATOM 0 H GLY A 77 8.825 -2.545 13.699 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.211 -4.646 13.935 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.386 -3.828 12.924 1.00 0.00 H new ATOM 1232 N MET A 78 10.779 -3.457 16.060 1.00 0.00 N ATOM 1233 CA MET A 78 11.267 -2.891 17.313 1.00 0.00 C ATOM 1234 C MET A 78 12.088 -3.915 18.090 1.00 0.00 C ATOM 1235 O MET A 78 13.098 -3.577 18.707 1.00 0.00 O ATOM 1236 CB MET A 78 10.095 -2.405 18.167 1.00 0.00 C ATOM 1237 CG MET A 78 8.936 -3.387 18.226 1.00 0.00 C ATOM 1238 SD MET A 78 7.761 -2.998 19.537 1.00 0.00 S ATOM 1239 CE MET A 78 6.295 -2.629 18.577 1.00 0.00 C ATOM 0 H MET A 78 10.120 -4.227 16.173 1.00 0.00 H new ATOM 0 HA MET A 78 11.910 -2.044 17.074 1.00 0.00 H new ATOM 0 HB2 MET A 78 10.449 -2.213 19.180 1.00 0.00 H new ATOM 0 HB3 MET A 78 9.736 -1.456 17.770 1.00 0.00 H new ATOM 0 HG2 MET A 78 8.417 -3.389 17.267 1.00 0.00 H new ATOM 0 HG3 MET A 78 9.325 -4.393 18.379 1.00 0.00 H new ATOM 0 HE1 MET A 78 6.161 -1.549 18.519 1.00 0.00 H new ATOM 0 HE2 MET A 78 6.406 -3.036 17.572 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.424 -3.078 19.055 1.00 0.00 H new ATOM 1249 N THR A 79 11.646 -5.169 18.055 1.00 0.00 N ATOM 1250 CA THR A 79 12.340 -6.242 18.757 1.00 0.00 C ATOM 1251 C THR A 79 12.116 -7.581 18.057 1.00 0.00 C ATOM 1252 O THR A 79 12.974 -8.056 17.314 1.00 0.00 O ATOM 1253 CB THR A 79 11.866 -6.321 20.210 1.00 0.00 C ATOM 1254 OG1 THR A 79 10.619 -5.666 20.368 1.00 0.00 O ATOM 1255 CG2 THR A 79 12.837 -5.699 21.191 1.00 0.00 C ATOM 0 H THR A 79 10.812 -5.466 17.549 1.00 0.00 H new ATOM 0 HA THR A 79 13.407 -6.022 18.746 1.00 0.00 H new ATOM 0 HB THR A 79 11.784 -7.386 20.429 1.00 0.00 H new ATOM 0 HG1 THR A 79 10.332 -5.729 21.303 1.00 0.00 H new ATOM 0 HG21 THR A 79 12.440 -5.789 22.202 1.00 0.00 H new ATOM 0 HG22 THR A 79 13.796 -6.214 21.130 1.00 0.00 H new ATOM 0 HG23 THR A 79 12.975 -4.645 20.948 1.00 0.00 H new ATOM 1263 N LYS A 80 10.956 -8.184 18.301 1.00 0.00 N ATOM 1264 CA LYS A 80 10.617 -9.467 17.696 1.00 0.00 C ATOM 1265 C LYS A 80 9.224 -9.915 18.126 1.00 0.00 C ATOM 1266 O LYS A 80 8.612 -9.310 19.006 1.00 0.00 O ATOM 1267 CB LYS A 80 11.650 -10.529 18.083 1.00 0.00 C ATOM 1268 CG LYS A 80 12.027 -10.501 19.555 1.00 0.00 C ATOM 1269 CD LYS A 80 12.249 -11.904 20.099 1.00 0.00 C ATOM 1270 CE LYS A 80 10.953 -12.521 20.603 1.00 0.00 C ATOM 1271 NZ LYS A 80 11.047 -12.919 22.035 1.00 0.00 N ATOM 0 H LYS A 80 10.235 -7.804 18.914 1.00 0.00 H new ATOM 0 HA LYS A 80 10.624 -9.344 16.613 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.256 -11.515 17.836 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.549 -10.386 17.483 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.933 -9.910 19.689 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.239 -10.009 20.125 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.673 -12.535 19.318 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.976 -11.869 20.911 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.138 -11.808 20.477 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.708 -13.394 19.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.144 -13.335 22.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.807 -13.619 22.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.256 -12.081 22.615 1.00 0.00 H new ATOM 1285 N VAL A 81 8.727 -10.977 17.500 1.00 0.00 N ATOM 1286 CA VAL A 81 7.406 -11.503 17.819 1.00 0.00 C ATOM 1287 C VAL A 81 7.094 -12.745 16.986 1.00 0.00 C ATOM 1288 O VAL A 81 6.188 -12.735 16.151 1.00 0.00 O ATOM 1289 CB VAL A 81 6.311 -10.441 17.584 1.00 0.00 C ATOM 1290 CG1 VAL A 81 6.289 -10.005 16.125 1.00 0.00 C ATOM 1291 CG2 VAL A 81 4.949 -10.966 18.017 1.00 0.00 C ATOM 0 H VAL A 81 9.220 -11.490 16.769 1.00 0.00 H new ATOM 0 HA VAL A 81 7.414 -11.775 18.875 1.00 0.00 H new ATOM 0 HB VAL A 81 6.544 -9.568 18.194 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.510 -9.256 15.981 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.256 -9.579 15.858 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.085 -10.868 15.491 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.192 -10.201 17.843 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.703 -11.858 17.441 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.975 -11.215 19.078 1.00 0.00 H new ATOM 1301 N LYS A 82 7.850 -13.814 17.218 1.00 0.00 N ATOM 1302 CA LYS A 82 7.653 -15.061 16.487 1.00 0.00 C ATOM 1303 C LYS A 82 7.241 -16.189 17.427 1.00 0.00 C ATOM 1304 O LYS A 82 7.822 -16.364 18.498 1.00 0.00 O ATOM 1305 CB LYS A 82 8.932 -15.447 15.742 1.00 0.00 C ATOM 1306 CG LYS A 82 8.754 -16.627 14.799 1.00 0.00 C ATOM 1307 CD LYS A 82 8.765 -16.187 13.344 1.00 0.00 C ATOM 1308 CE LYS A 82 7.749 -16.961 12.518 1.00 0.00 C ATOM 1309 NZ LYS A 82 8.036 -18.422 12.510 1.00 0.00 N ATOM 0 H LYS A 82 8.603 -13.842 17.905 1.00 0.00 H new ATOM 0 HA LYS A 82 6.851 -14.904 15.766 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.284 -14.587 15.172 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.708 -15.687 16.469 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.551 -17.351 14.967 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.813 -17.132 15.020 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.547 -15.121 13.284 1.00 0.00 H new ATOM 0 HD3 LYS A 82 9.761 -16.333 12.927 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.750 -16.790 12.918 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.751 -16.585 11.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.395 -18.898 11.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.021 -18.581 12.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.893 -18.809 13.465 1.00 0.00 H new ATOM 1323 N VAL A 83 6.233 -16.954 17.017 1.00 0.00 N ATOM 1324 CA VAL A 83 5.741 -18.068 17.818 1.00 0.00 C ATOM 1325 C VAL A 83 4.794 -18.947 17.009 1.00 0.00 C ATOM 1326 O VAL A 83 4.190 -18.496 16.036 1.00 0.00 O ATOM 1327 CB VAL A 83 5.016 -17.575 19.086 1.00 0.00 C ATOM 1328 CG1 VAL A 83 3.804 -16.733 18.719 1.00 0.00 C ATOM 1329 CG2 VAL A 83 4.613 -18.751 19.962 1.00 0.00 C ATOM 0 H VAL A 83 5.741 -16.822 16.133 1.00 0.00 H new ATOM 0 HA VAL A 83 6.611 -18.654 18.115 1.00 0.00 H new ATOM 0 HB VAL A 83 5.704 -16.948 19.653 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.307 -16.395 19.628 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.124 -15.868 18.138 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.111 -17.331 18.127 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.103 -18.383 20.852 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.944 -19.407 19.405 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.503 -19.306 20.257 1.00 0.00 H new ATOM 1339 N GLY A 84 4.667 -20.206 17.418 1.00 0.00 N ATOM 1340 CA GLY A 84 3.790 -21.129 16.719 1.00 0.00 C ATOM 1341 C GLY A 84 4.491 -22.417 16.335 1.00 0.00 C ATOM 1342 O GLY A 84 3.975 -23.507 16.580 1.00 0.00 O ATOM 0 H GLY A 84 5.155 -20.603 18.220 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.933 -21.360 17.351 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.403 -20.648 15.821 1.00 0.00 H new ATOM 1346 N LYS A 85 5.667 -22.291 15.730 1.00 0.00 N ATOM 1347 CA LYS A 85 6.438 -23.456 15.310 1.00 0.00 C ATOM 1348 C LYS A 85 5.652 -24.296 14.308 1.00 0.00 C ATOM 1349 O LYS A 85 5.161 -25.376 14.638 1.00 0.00 O ATOM 1350 CB LYS A 85 6.817 -24.307 16.524 1.00 0.00 C ATOM 1351 CG LYS A 85 8.210 -24.014 17.061 1.00 0.00 C ATOM 1352 CD LYS A 85 8.938 -25.289 17.454 1.00 0.00 C ATOM 1353 CE LYS A 85 9.892 -25.051 18.613 1.00 0.00 C ATOM 1354 NZ LYS A 85 10.859 -26.172 18.775 1.00 0.00 N ATOM 0 H LYS A 85 6.107 -21.395 15.520 1.00 0.00 H new ATOM 0 HA LYS A 85 7.348 -23.104 14.825 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.088 -24.139 17.317 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.755 -25.361 16.252 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.788 -23.483 16.305 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.136 -23.355 17.926 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.212 -26.053 17.730 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.493 -25.671 16.597 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.438 -24.122 18.449 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.321 -24.928 19.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 11.492 -25.972 19.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.340 -27.055 18.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.421 -26.274 17.906 1.00 0.00 H new ATOM 1368 N GLU A 86 5.537 -23.792 13.084 1.00 0.00 N ATOM 1369 CA GLU A 86 4.810 -24.494 12.033 1.00 0.00 C ATOM 1370 C GLU A 86 5.535 -24.372 10.696 1.00 0.00 C ATOM 1371 O GLU A 86 5.837 -23.269 10.240 1.00 0.00 O ATOM 1372 CB GLU A 86 3.389 -23.940 11.908 1.00 0.00 C ATOM 1373 CG GLU A 86 2.416 -24.903 11.249 1.00 0.00 C ATOM 1374 CD GLU A 86 0.972 -24.466 11.401 1.00 0.00 C ATOM 1375 OE1 GLU A 86 0.339 -24.851 12.406 1.00 0.00 O ATOM 1376 OE2 GLU A 86 0.476 -23.739 10.516 1.00 0.00 O ATOM 0 H GLU A 86 5.938 -22.900 12.795 1.00 0.00 H new ATOM 0 HA GLU A 86 4.758 -25.549 12.304 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.019 -23.685 12.901 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.418 -23.015 11.332 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.656 -24.989 10.189 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.540 -25.894 11.685 1.00 0.00 H new ATOM 1383 N ASP A 87 5.810 -25.512 10.071 1.00 0.00 N ATOM 1384 CA ASP A 87 6.499 -25.533 8.787 1.00 0.00 C ATOM 1385 C ASP A 87 5.529 -25.244 7.644 1.00 0.00 C ATOM 1386 O ASP A 87 5.340 -26.070 6.751 1.00 0.00 O ATOM 1387 CB ASP A 87 7.178 -26.887 8.569 1.00 0.00 C ATOM 1388 CG ASP A 87 6.227 -28.050 8.772 1.00 0.00 C ATOM 1389 OD1 ASP A 87 5.018 -27.882 8.506 1.00 0.00 O ATOM 1390 OD2 ASP A 87 6.691 -29.129 9.198 1.00 0.00 O ATOM 0 H ASP A 87 5.566 -26.434 10.434 1.00 0.00 H new ATOM 0 HA ASP A 87 7.260 -24.753 8.799 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.586 -26.927 7.559 1.00 0.00 H new ATOM 0 HB3 ASP A 87 8.018 -26.984 9.257 1.00 0.00 H new ATOM 1395 N SER A 88 4.920 -24.063 7.678 1.00 0.00 N ATOM 1396 CA SER A 88 3.971 -23.661 6.645 1.00 0.00 C ATOM 1397 C SER A 88 4.694 -23.073 5.435 1.00 0.00 C ATOM 1398 O SER A 88 4.137 -23.011 4.340 1.00 0.00 O ATOM 1399 CB SER A 88 2.978 -22.641 7.206 1.00 0.00 C ATOM 1400 OG SER A 88 1.902 -23.285 7.867 1.00 0.00 O ATOM 0 H SER A 88 5.067 -23.367 8.410 1.00 0.00 H new ATOM 0 HA SER A 88 3.428 -24.549 6.322 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.490 -21.975 7.901 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.593 -22.021 6.396 1.00 0.00 H new ATOM 0 HG SER A 88 1.912 -23.046 8.817 1.00 0.00 H new ATOM 1406 N SER A 89 5.937 -22.643 5.639 1.00 0.00 N ATOM 1407 CA SER A 89 6.736 -22.060 4.565 1.00 0.00 C ATOM 1408 C SER A 89 6.174 -20.708 4.136 1.00 0.00 C ATOM 1409 O SER A 89 5.215 -20.638 3.368 1.00 0.00 O ATOM 1410 CB SER A 89 6.796 -23.010 3.365 1.00 0.00 C ATOM 1411 OG SER A 89 8.068 -23.628 3.267 1.00 0.00 O ATOM 0 H SER A 89 6.413 -22.688 6.540 1.00 0.00 H new ATOM 0 HA SER A 89 7.746 -21.906 4.944 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.024 -23.773 3.462 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.585 -22.458 2.449 1.00 0.00 H new ATOM 0 HG SER A 89 8.080 -24.231 2.494 1.00 0.00 H new ATOM 1417 N SER A 90 6.781 -19.637 4.636 1.00 0.00 N ATOM 1418 CA SER A 90 6.347 -18.284 4.305 1.00 0.00 C ATOM 1419 C SER A 90 4.907 -18.044 4.751 1.00 0.00 C ATOM 1420 O SER A 90 4.151 -17.338 4.084 1.00 0.00 O ATOM 1421 CB SER A 90 6.474 -18.040 2.801 1.00 0.00 C ATOM 1422 OG SER A 90 7.688 -18.571 2.299 1.00 0.00 O ATOM 0 H SER A 90 7.576 -19.680 5.273 1.00 0.00 H new ATOM 0 HA SER A 90 6.992 -17.585 4.837 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.631 -18.498 2.283 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.430 -16.970 2.598 1.00 0.00 H new ATOM 0 HG SER A 90 7.744 -18.404 1.335 1.00 0.00 H new ATOM 1428 N ALA A 91 4.535 -18.633 5.882 1.00 0.00 N ATOM 1429 CA ALA A 91 3.186 -18.479 6.414 1.00 0.00 C ATOM 1430 C ALA A 91 2.973 -17.076 6.973 1.00 0.00 C ATOM 1431 O ALA A 91 1.957 -16.437 6.701 1.00 0.00 O ATOM 1432 CB ALA A 91 2.918 -19.527 7.485 1.00 0.00 C ATOM 0 H ALA A 91 5.148 -19.221 6.447 1.00 0.00 H new ATOM 0 HA ALA A 91 2.480 -18.625 5.597 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.907 -19.400 7.873 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.018 -20.523 7.053 1.00 0.00 H new ATOM 0 HB3 ALA A 91 3.636 -19.410 8.297 1.00 0.00 H new ATOM 1438 N GLU A 92 3.939 -16.602 7.754 1.00 0.00 N ATOM 1439 CA GLU A 92 3.858 -15.273 8.349 1.00 0.00 C ATOM 1440 C GLU A 92 4.348 -14.206 7.375 1.00 0.00 C ATOM 1441 O GLU A 92 3.946 -13.046 7.458 1.00 0.00 O ATOM 1442 CB GLU A 92 4.680 -15.219 9.640 1.00 0.00 C ATOM 1443 CG GLU A 92 4.033 -14.388 10.735 1.00 0.00 C ATOM 1444 CD GLU A 92 5.050 -13.760 11.668 1.00 0.00 C ATOM 1445 OE1 GLU A 92 6.111 -14.380 11.893 1.00 0.00 O ATOM 1446 OE2 GLU A 92 4.787 -12.648 12.171 1.00 0.00 O ATOM 0 H GLU A 92 4.787 -17.118 7.989 1.00 0.00 H new ATOM 0 HA GLU A 92 2.813 -15.071 8.582 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.833 -16.234 10.007 1.00 0.00 H new ATOM 0 HB3 GLU A 92 5.665 -14.809 9.417 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.428 -13.603 10.281 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.356 -15.018 11.312 1.00 0.00 H new ATOM 1453 N PHE A 93 5.220 -14.605 6.452 1.00 0.00 N ATOM 1454 CA PHE A 93 5.766 -13.683 5.460 1.00 0.00 C ATOM 1455 C PHE A 93 4.654 -12.896 4.772 1.00 0.00 C ATOM 1456 O PHE A 93 4.687 -11.666 4.726 1.00 0.00 O ATOM 1457 CB PHE A 93 6.582 -14.454 4.419 1.00 0.00 C ATOM 1458 CG PHE A 93 7.185 -13.581 3.355 1.00 0.00 C ATOM 1459 CD1 PHE A 93 7.786 -12.376 3.684 1.00 0.00 C ATOM 1460 CD2 PHE A 93 7.152 -13.967 2.025 1.00 0.00 C ATOM 1461 CE1 PHE A 93 8.343 -11.574 2.706 1.00 0.00 C ATOM 1462 CE2 PHE A 93 7.706 -13.169 1.043 1.00 0.00 C ATOM 1463 CZ PHE A 93 8.303 -11.971 1.385 1.00 0.00 C ATOM 0 H PHE A 93 5.564 -15.562 6.371 1.00 0.00 H new ATOM 0 HA PHE A 93 6.416 -12.976 5.975 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.380 -14.997 4.926 1.00 0.00 H new ATOM 0 HB3 PHE A 93 5.941 -15.197 3.946 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.819 -12.060 4.716 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.688 -14.903 1.753 1.00 0.00 H new ATOM 0 HE1 PHE A 93 8.809 -10.638 2.975 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.673 -13.481 0.010 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.738 -11.346 0.619 1.00 0.00 H new ATOM 1473 N LEU A 94 3.669 -13.613 4.241 1.00 0.00 N ATOM 1474 CA LEU A 94 2.545 -12.983 3.557 1.00 0.00 C ATOM 1475 C LEU A 94 1.824 -12.006 4.480 1.00 0.00 C ATOM 1476 O LEU A 94 1.250 -11.016 4.026 1.00 0.00 O ATOM 1477 CB LEU A 94 1.566 -14.047 3.056 1.00 0.00 C ATOM 1478 CG LEU A 94 1.934 -14.689 1.716 1.00 0.00 C ATOM 1479 CD1 LEU A 94 0.883 -15.710 1.308 1.00 0.00 C ATOM 1480 CD2 LEU A 94 2.096 -13.624 0.641 1.00 0.00 C ATOM 0 H LEU A 94 3.626 -14.632 4.271 1.00 0.00 H new ATOM 0 HA LEU A 94 2.936 -12.427 2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.490 -14.832 3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.578 -13.596 2.966 1.00 0.00 H new ATOM 0 HG LEU A 94 2.887 -15.206 1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.161 -16.156 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.818 -16.489 2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.084 -15.217 1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.358 -14.099 -0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.160 -13.078 0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.887 -12.932 0.931 1.00 0.00 H new ATOM 1492 N GLU A 95 1.855 -12.293 5.778 1.00 0.00 N ATOM 1493 CA GLU A 95 1.204 -11.442 6.766 1.00 0.00 C ATOM 1494 C GLU A 95 1.951 -10.123 6.933 1.00 0.00 C ATOM 1495 O GLU A 95 1.353 -9.048 6.885 1.00 0.00 O ATOM 1496 CB GLU A 95 1.115 -12.165 8.112 1.00 0.00 C ATOM 1497 CG GLU A 95 0.212 -11.470 9.118 1.00 0.00 C ATOM 1498 CD GLU A 95 -0.629 -12.446 9.918 1.00 0.00 C ATOM 1499 OE1 GLU A 95 -0.068 -13.129 10.800 1.00 0.00 O ATOM 1500 OE2 GLU A 95 -1.850 -12.524 9.664 1.00 0.00 O ATOM 0 H GLU A 95 2.325 -13.109 6.169 1.00 0.00 H new ATOM 0 HA GLU A 95 0.198 -11.223 6.410 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.749 -13.178 7.947 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.116 -12.253 8.535 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.822 -10.878 9.800 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.444 -10.776 8.593 1.00 0.00 H new ATOM 1507 N LYS A 96 3.264 -10.212 7.131 1.00 0.00 N ATOM 1508 CA LYS A 96 4.092 -9.022 7.306 1.00 0.00 C ATOM 1509 C LYS A 96 3.960 -8.087 6.110 1.00 0.00 C ATOM 1510 O LYS A 96 3.591 -6.921 6.257 1.00 0.00 O ATOM 1511 CB LYS A 96 5.557 -9.421 7.498 1.00 0.00 C ATOM 1512 CG LYS A 96 6.291 -8.572 8.524 1.00 0.00 C ATOM 1513 CD LYS A 96 7.758 -8.394 8.158 1.00 0.00 C ATOM 1514 CE LYS A 96 8.672 -9.063 9.174 1.00 0.00 C ATOM 1515 NZ LYS A 96 8.281 -10.478 9.422 1.00 0.00 N ATOM 0 H LYS A 96 3.776 -11.093 7.174 1.00 0.00 H new ATOM 0 HA LYS A 96 3.746 -8.495 8.195 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.603 -10.466 7.804 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.073 -9.346 6.541 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.813 -7.595 8.598 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.214 -9.040 9.506 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.941 -8.815 7.170 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.993 -7.331 8.100 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.701 -9.028 8.816 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.641 -8.508 10.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.129 -11.040 9.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.623 -10.521 10.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.817 -10.864 8.575 1.00 0.00 H new ATOM 1529 N ARG A 97 4.258 -8.608 4.925 1.00 0.00 N ATOM 1530 CA ARG A 97 4.168 -7.826 3.698 1.00 0.00 C ATOM 1531 C ARG A 97 2.749 -7.310 3.488 1.00 0.00 C ATOM 1532 O ARG A 97 2.544 -6.237 2.919 1.00 0.00 O ATOM 1533 CB ARG A 97 4.602 -8.669 2.498 1.00 0.00 C ATOM 1534 CG ARG A 97 4.770 -7.867 1.218 1.00 0.00 C ATOM 1535 CD ARG A 97 4.836 -8.774 -0.001 1.00 0.00 C ATOM 1536 NE ARG A 97 5.437 -8.103 -1.152 1.00 0.00 N ATOM 1537 CZ ARG A 97 5.908 -8.743 -2.220 1.00 0.00 C ATOM 1538 NH1 ARG A 97 5.851 -10.067 -2.288 1.00 0.00 N ATOM 1539 NH2 ARG A 97 6.436 -8.057 -3.224 1.00 0.00 N ATOM 0 H ARG A 97 4.565 -9.571 4.788 1.00 0.00 H new ATOM 0 HA ARG A 97 4.837 -6.970 3.790 1.00 0.00 H new ATOM 0 HB2 ARG A 97 5.545 -9.163 2.734 1.00 0.00 H new ATOM 0 HB3 ARG A 97 3.864 -9.454 2.331 1.00 0.00 H new ATOM 0 HG2 ARG A 97 3.938 -7.171 1.111 1.00 0.00 H new ATOM 0 HG3 ARG A 97 5.679 -7.269 1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 97 5.415 -9.665 0.242 1.00 0.00 H new ATOM 0 HD3 ARG A 97 3.831 -9.107 -0.260 1.00 0.00 H new ATOM 0 HE ARG A 97 5.499 -7.085 -1.136 1.00 0.00 H new ATOM 0 HH11 ARG A 97 5.445 -10.600 -1.519 1.00 0.00 H new ATOM 0 HH12 ARG A 97 6.214 -10.552 -3.109 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.481 -7.039 -3.178 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.797 -8.547 -4.042 1.00 0.00 H new ATOM 1553 N ARG A 98 1.774 -8.085 3.950 1.00 0.00 N ATOM 1554 CA ARG A 98 0.371 -7.715 3.815 1.00 0.00 C ATOM 1555 C ARG A 98 0.062 -6.473 4.649 1.00 0.00 C ATOM 1556 O ARG A 98 -0.461 -5.482 4.142 1.00 0.00 O ATOM 1557 CB ARG A 98 -0.514 -8.890 4.249 1.00 0.00 C ATOM 1558 CG ARG A 98 -1.953 -8.509 4.562 1.00 0.00 C ATOM 1559 CD ARG A 98 -2.216 -8.491 6.060 1.00 0.00 C ATOM 1560 NE ARG A 98 -2.443 -7.138 6.562 1.00 0.00 N ATOM 1561 CZ ARG A 98 -2.598 -6.840 7.850 1.00 0.00 C ATOM 1562 NH1 ARG A 98 -2.546 -7.795 8.770 1.00 0.00 N ATOM 1563 NH2 ARG A 98 -2.803 -5.583 8.220 1.00 0.00 N ATOM 0 H ARG A 98 1.931 -8.975 4.422 1.00 0.00 H new ATOM 0 HA ARG A 98 0.163 -7.481 2.771 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -0.513 -9.641 3.459 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -0.074 -9.355 5.131 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -2.169 -7.526 4.143 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -2.630 -9.216 4.082 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -3.085 -9.110 6.282 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -1.367 -8.933 6.582 1.00 0.00 H new ATOM 0 HE ARG A 98 -2.485 -6.376 5.885 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.387 -8.763 8.492 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -2.665 -7.561 9.756 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -2.842 -4.844 7.518 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -2.922 -5.355 9.207 1.00 0.00 H new ATOM 1577 N ALA A 99 0.404 -6.536 5.929 1.00 0.00 N ATOM 1578 CA ALA A 99 0.180 -5.424 6.844 1.00 0.00 C ATOM 1579 C ALA A 99 0.833 -4.147 6.323 1.00 0.00 C ATOM 1580 O ALA A 99 0.184 -3.107 6.199 1.00 0.00 O ATOM 1581 CB ALA A 99 0.721 -5.774 8.221 1.00 0.00 C ATOM 0 H ALA A 99 0.841 -7.351 6.360 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.893 -5.245 6.917 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.551 -4.940 8.901 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.210 -6.660 8.598 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.790 -5.974 8.152 1.00 0.00 H new ATOM 1587 N ALA A 100 2.121 -4.241 6.008 1.00 0.00 N ATOM 1588 CA ALA A 100 2.878 -3.107 5.487 1.00 0.00 C ATOM 1589 C ALA A 100 2.146 -2.441 4.326 1.00 0.00 C ATOM 1590 O ALA A 100 2.284 -1.238 4.101 1.00 0.00 O ATOM 1591 CB ALA A 100 4.267 -3.543 5.055 1.00 0.00 C ATOM 0 H ALA A 100 2.666 -5.098 6.105 1.00 0.00 H new ATOM 0 HA ALA A 100 2.976 -2.376 6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 100 4.815 -2.683 4.670 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.800 -3.960 5.910 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.185 -4.300 4.275 1.00 0.00 H new ATOM 1597 N LEU A 101 1.380 -3.235 3.585 1.00 0.00 N ATOM 1598 CA LEU A 101 0.640 -2.727 2.436 1.00 0.00 C ATOM 1599 C LEU A 101 -0.322 -1.623 2.863 1.00 0.00 C ATOM 1600 O LEU A 101 -0.367 -0.559 2.248 1.00 0.00 O ATOM 1601 CB LEU A 101 -0.134 -3.873 1.772 1.00 0.00 C ATOM 1602 CG LEU A 101 -0.080 -3.925 0.240 1.00 0.00 C ATOM 1603 CD1 LEU A 101 -0.968 -2.852 -0.372 1.00 0.00 C ATOM 1604 CD2 LEU A 101 1.355 -3.801 -0.263 1.00 0.00 C ATOM 0 H LEU A 101 1.256 -4.232 3.760 1.00 0.00 H new ATOM 0 HA LEU A 101 1.347 -2.308 1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.249 -4.816 2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -1.178 -3.803 2.076 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.461 -4.896 -0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.912 -2.910 -1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.999 -3.007 -0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -0.630 -1.869 -0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.363 -3.841 -1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.776 -2.852 0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.952 -4.622 0.135 1.00 0.00 H new ATOM 1616 N GLU A 102 -1.078 -1.867 3.929 1.00 0.00 N ATOM 1617 CA GLU A 102 -2.017 -0.870 4.429 1.00 0.00 C ATOM 1618 C GLU A 102 -1.284 0.274 5.121 1.00 0.00 C ATOM 1619 O GLU A 102 -1.689 1.432 5.020 1.00 0.00 O ATOM 1620 CB GLU A 102 -3.019 -1.494 5.396 1.00 0.00 C ATOM 1621 CG GLU A 102 -4.374 -0.805 5.378 1.00 0.00 C ATOM 1622 CD GLU A 102 -4.938 -0.591 6.771 1.00 0.00 C ATOM 1623 OE1 GLU A 102 -4.434 0.301 7.484 1.00 0.00 O ATOM 1624 OE2 GLU A 102 -5.882 -1.317 7.147 1.00 0.00 O ATOM 0 H GLU A 102 -1.059 -2.738 4.459 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.558 -0.475 3.569 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.150 -2.547 5.145 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.612 -1.456 6.406 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.281 0.158 4.876 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.074 -1.403 4.794 1.00 0.00 H new ATOM 1631 N ARG A 103 -0.212 -0.057 5.838 1.00 0.00 N ATOM 1632 CA ARG A 103 0.558 0.950 6.557 1.00 0.00 C ATOM 1633 C ARG A 103 1.072 2.024 5.606 1.00 0.00 C ATOM 1634 O ARG A 103 0.916 3.216 5.865 1.00 0.00 O ATOM 1635 CB ARG A 103 1.737 0.300 7.284 1.00 0.00 C ATOM 1636 CG ARG A 103 1.335 -0.832 8.214 1.00 0.00 C ATOM 1637 CD ARG A 103 0.603 -0.311 9.440 1.00 0.00 C ATOM 1638 NE ARG A 103 1.526 0.100 10.496 1.00 0.00 N ATOM 1639 CZ ARG A 103 2.287 -0.748 11.185 1.00 0.00 C ATOM 1640 NH1 ARG A 103 2.228 -2.051 10.942 1.00 0.00 N ATOM 1641 NH2 ARG A 103 3.106 -0.291 12.123 1.00 0.00 N ATOM 0 H ARG A 103 0.140 -1.009 5.935 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.102 1.418 7.288 1.00 0.00 H new ATOM 0 HB2 ARG A 103 2.441 -0.082 6.545 1.00 0.00 H new ATOM 0 HB3 ARG A 103 2.261 1.062 7.860 1.00 0.00 H new ATOM 0 HG2 ARG A 103 0.696 -1.535 7.679 1.00 0.00 H new ATOM 0 HG3 ARG A 103 2.223 -1.382 8.525 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -0.023 0.535 9.156 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -0.062 -1.086 9.821 1.00 0.00 H new ATOM 0 HE ARG A 103 1.591 1.093 10.718 1.00 0.00 H new ATOM 0 HH11 ARG A 103 1.597 -2.408 10.224 1.00 0.00 H new ATOM 0 HH12 ARG A 103 2.813 -2.696 11.473 1.00 0.00 H new ATOM 0 HH21 ARG A 103 3.153 0.709 12.316 1.00 0.00 H new ATOM 0 HH22 ARG A 103 3.689 -0.940 12.651 1.00 0.00 H new ATOM 1655 N TYR A 104 1.673 1.596 4.501 1.00 0.00 N ATOM 1656 CA TYR A 104 2.194 2.531 3.511 1.00 0.00 C ATOM 1657 C TYR A 104 1.053 3.214 2.755 1.00 0.00 C ATOM 1658 O TYR A 104 1.066 4.428 2.549 1.00 0.00 O ATOM 1659 CB TYR A 104 3.138 1.812 2.535 1.00 0.00 C ATOM 1660 CG TYR A 104 2.483 1.373 1.244 1.00 0.00 C ATOM 1661 CD1 TYR A 104 2.343 2.254 0.179 1.00 0.00 C ATOM 1662 CD2 TYR A 104 2.000 0.082 1.094 1.00 0.00 C ATOM 1663 CE1 TYR A 104 1.741 1.859 -1.000 1.00 0.00 C ATOM 1664 CE2 TYR A 104 1.395 -0.322 -0.080 1.00 0.00 C ATOM 1665 CZ TYR A 104 1.268 0.570 -1.125 1.00 0.00 C ATOM 1666 OH TYR A 104 0.667 0.172 -2.296 1.00 0.00 O ATOM 0 H TYR A 104 1.811 0.612 4.269 1.00 0.00 H new ATOM 0 HA TYR A 104 2.762 3.301 4.034 1.00 0.00 H new ATOM 0 HB2 TYR A 104 3.971 2.474 2.299 1.00 0.00 H new ATOM 0 HB3 TYR A 104 3.557 0.937 3.032 1.00 0.00 H new ATOM 0 HD1 TYR A 104 2.711 3.265 0.274 1.00 0.00 H new ATOM 0 HD2 TYR A 104 2.099 -0.620 1.909 1.00 0.00 H new ATOM 0 HE1 TYR A 104 1.641 2.556 -1.819 1.00 0.00 H new ATOM 0 HE2 TYR A 104 1.023 -1.331 -0.180 1.00 0.00 H new ATOM 0 HH TYR A 104 1.352 -0.125 -2.931 1.00 0.00 H new ATOM 1676 N LEU A 105 0.076 2.414 2.334 1.00 0.00 N ATOM 1677 CA LEU A 105 -1.070 2.919 1.585 1.00 0.00 C ATOM 1678 C LEU A 105 -1.824 3.994 2.366 1.00 0.00 C ATOM 1679 O LEU A 105 -2.129 5.060 1.834 1.00 0.00 O ATOM 1680 CB LEU A 105 -2.014 1.758 1.246 1.00 0.00 C ATOM 1681 CG LEU A 105 -2.961 1.960 0.051 1.00 0.00 C ATOM 1682 CD1 LEU A 105 -4.412 1.926 0.512 1.00 0.00 C ATOM 1683 CD2 LEU A 105 -2.665 3.258 -0.692 1.00 0.00 C ATOM 0 H LEU A 105 0.056 1.408 2.501 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.700 3.375 0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.408 0.873 1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.619 1.544 2.127 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.793 1.139 -0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.070 2.070 -0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.624 0.962 0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.582 2.721 1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.355 3.364 -1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.786 4.102 -0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.641 3.238 -1.066 1.00 0.00 H new ATOM 1695 N GLN A 106 -2.132 3.707 3.626 1.00 0.00 N ATOM 1696 CA GLN A 106 -2.862 4.657 4.459 1.00 0.00 C ATOM 1697 C GLN A 106 -2.166 6.014 4.501 1.00 0.00 C ATOM 1698 O GLN A 106 -2.818 7.049 4.633 1.00 0.00 O ATOM 1699 CB GLN A 106 -3.021 4.120 5.877 1.00 0.00 C ATOM 1700 CG GLN A 106 -4.188 3.159 6.040 1.00 0.00 C ATOM 1701 CD GLN A 106 -5.209 3.647 7.049 1.00 0.00 C ATOM 1702 OE1 GLN A 106 -5.249 3.179 8.187 1.00 0.00 O ATOM 1703 NE2 GLN A 106 -6.042 4.596 6.636 1.00 0.00 N ATOM 0 H GLN A 106 -1.890 2.832 4.091 1.00 0.00 H new ATOM 0 HA GLN A 106 -3.847 4.789 4.012 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.101 3.613 6.169 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -3.154 4.958 6.561 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -4.675 3.018 5.075 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.811 2.185 6.352 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -5.974 4.956 5.684 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -6.750 4.965 7.271 1.00 0.00 H new ATOM 1712 N ARG A 107 -0.842 6.006 4.389 1.00 0.00 N ATOM 1713 CA ARG A 107 -0.075 7.247 4.417 1.00 0.00 C ATOM 1714 C ARG A 107 -0.322 8.064 3.156 1.00 0.00 C ATOM 1715 O ARG A 107 -0.404 9.291 3.207 1.00 0.00 O ATOM 1716 CB ARG A 107 1.420 6.966 4.561 1.00 0.00 C ATOM 1717 CG ARG A 107 1.740 5.762 5.433 1.00 0.00 C ATOM 1718 CD ARG A 107 3.005 5.984 6.248 1.00 0.00 C ATOM 1719 NE ARG A 107 3.409 4.781 6.972 1.00 0.00 N ATOM 1720 CZ ARG A 107 2.768 4.306 8.038 1.00 0.00 C ATOM 1721 NH1 ARG A 107 1.692 4.927 8.505 1.00 0.00 N ATOM 1722 NH2 ARG A 107 3.205 3.208 8.637 1.00 0.00 N ATOM 0 H ARG A 107 -0.281 5.161 4.279 1.00 0.00 H new ATOM 0 HA ARG A 107 -0.409 7.819 5.283 1.00 0.00 H new ATOM 0 HB2 ARG A 107 1.847 6.809 3.571 1.00 0.00 H new ATOM 0 HB3 ARG A 107 1.906 7.846 4.982 1.00 0.00 H new ATOM 0 HG2 ARG A 107 0.904 5.565 6.104 1.00 0.00 H new ATOM 0 HG3 ARG A 107 1.860 4.879 4.806 1.00 0.00 H new ATOM 0 HD2 ARG A 107 3.812 6.297 5.586 1.00 0.00 H new ATOM 0 HD3 ARG A 107 2.842 6.796 6.957 1.00 0.00 H new ATOM 0 HE ARG A 107 4.231 4.275 6.641 1.00 0.00 H new ATOM 0 HH11 ARG A 107 1.352 5.773 8.047 1.00 0.00 H new ATOM 0 HH12 ARG A 107 1.205 4.559 9.322 1.00 0.00 H new ATOM 0 HH21 ARG A 107 4.032 2.728 8.281 1.00 0.00 H new ATOM 0 HH22 ARG A 107 2.715 2.843 9.454 1.00 0.00 H new ATOM 1736 N ILE A 108 -0.448 7.377 2.025 1.00 0.00 N ATOM 1737 CA ILE A 108 -0.693 8.057 0.755 1.00 0.00 C ATOM 1738 C ILE A 108 -2.156 8.456 0.649 1.00 0.00 C ATOM 1739 O ILE A 108 -2.468 9.597 0.318 1.00 0.00 O ATOM 1740 CB ILE A 108 -0.281 7.221 -0.492 1.00 0.00 C ATOM 1741 CG1 ILE A 108 -0.025 5.751 -0.135 1.00 0.00 C ATOM 1742 CG2 ILE A 108 0.951 7.836 -1.140 1.00 0.00 C ATOM 1743 CD1 ILE A 108 0.805 5.007 -1.159 1.00 0.00 C ATOM 0 H ILE A 108 -0.386 6.361 1.960 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.058 8.943 0.757 1.00 0.00 H new ATOM 0 HB ILE A 108 -1.110 7.241 -1.200 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.479 5.704 0.830 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -0.983 5.243 -0.020 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.235 7.247 -2.012 1.00 0.00 H new ATOM 0 HG22 ILE A 108 0.728 8.857 -1.448 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.773 7.844 -0.424 1.00 0.00 H new ATOM 0 HD11 ILE A 108 0.942 3.975 -0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.293 5.021 -2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 108 1.778 5.489 -1.258 1.00 0.00 H new ATOM 1755 N VAL A 109 -3.054 7.526 0.958 1.00 0.00 N ATOM 1756 CA VAL A 109 -4.480 7.821 0.914 1.00 0.00 C ATOM 1757 C VAL A 109 -4.819 8.919 1.915 1.00 0.00 C ATOM 1758 O VAL A 109 -5.714 9.731 1.686 1.00 0.00 O ATOM 1759 CB VAL A 109 -5.342 6.574 1.210 1.00 0.00 C ATOM 1760 CG1 VAL A 109 -4.922 5.411 0.328 1.00 0.00 C ATOM 1761 CG2 VAL A 109 -5.266 6.191 2.681 1.00 0.00 C ATOM 0 H VAL A 109 -2.823 6.573 1.238 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.708 8.154 -0.098 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.379 6.820 0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -5.541 4.542 0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -5.047 5.685 -0.720 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -3.876 5.170 0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.882 5.310 2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.232 5.970 2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.629 7.018 3.291 1.00 0.00 H new ATOM 1771 N ASN A 110 -4.084 8.933 3.030 1.00 0.00 N ATOM 1772 CA ASN A 110 -4.285 9.928 4.081 1.00 0.00 C ATOM 1773 C ASN A 110 -4.507 11.325 3.498 1.00 0.00 C ATOM 1774 O ASN A 110 -5.617 11.855 3.541 1.00 0.00 O ATOM 1775 CB ASN A 110 -3.077 9.945 5.024 1.00 0.00 C ATOM 1776 CG ASN A 110 -3.459 9.632 6.457 1.00 0.00 C ATOM 1777 OD1 ASN A 110 -3.358 10.629 7.328 1.00 0.00 O flip ATOM 1778 ND2 ASN A 110 -3.842 8.506 6.778 1.00 0.00 N flip ATOM 0 H ASN A 110 -3.341 8.262 3.227 1.00 0.00 H new ATOM 0 HA ASN A 110 -5.180 9.649 4.637 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -2.341 9.219 4.680 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -2.601 10.925 4.983 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -3.905 7.769 6.076 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -4.097 8.311 7.746 1.00 0.00 H new ATOM 1785 N HIS A 111 -3.446 11.915 2.953 1.00 0.00 N ATOM 1786 CA HIS A 111 -3.533 13.247 2.365 1.00 0.00 C ATOM 1787 C HIS A 111 -3.576 13.172 0.840 1.00 0.00 C ATOM 1788 O HIS A 111 -2.668 12.622 0.218 1.00 0.00 O ATOM 1789 CB HIS A 111 -2.348 14.105 2.811 1.00 0.00 C ATOM 1790 CG HIS A 111 -2.574 15.574 2.633 1.00 0.00 C ATOM 1791 ND1 HIS A 111 -3.748 16.204 2.991 1.00 0.00 N ATOM 1792 CD2 HIS A 111 -1.769 16.541 2.132 1.00 0.00 C ATOM 1793 CE1 HIS A 111 -3.656 17.494 2.716 1.00 0.00 C ATOM 1794 NE2 HIS A 111 -2.465 17.723 2.196 1.00 0.00 N ATOM 0 H HIS A 111 -2.519 11.492 2.907 1.00 0.00 H new ATOM 0 HA HIS A 111 -4.458 13.707 2.713 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -2.138 13.902 3.861 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -1.463 13.810 2.246 1.00 0.00 H new ATOM 0 HD1 HIS A 111 -4.561 15.746 3.404 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -0.767 16.407 1.753 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -4.424 18.234 2.888 1.00 0.00 H new ATOM 1803 N PRO A 112 -4.629 13.726 0.211 1.00 0.00 N ATOM 1804 CA PRO A 112 -4.765 13.713 -1.248 1.00 0.00 C ATOM 1805 C PRO A 112 -3.617 14.441 -1.938 1.00 0.00 C ATOM 1806 O PRO A 112 -3.284 14.151 -3.086 1.00 0.00 O ATOM 1807 CB PRO A 112 -6.092 14.439 -1.502 1.00 0.00 C ATOM 1808 CG PRO A 112 -6.362 15.209 -0.256 1.00 0.00 C ATOM 1809 CD PRO A 112 -5.758 14.410 0.863 1.00 0.00 C ATOM 0 HA PRO A 112 -4.745 12.699 -1.647 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -6.020 15.100 -2.365 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -6.895 13.731 -1.709 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -5.919 16.204 -0.308 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -7.433 15.344 -0.105 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -5.425 15.049 1.681 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -6.471 13.701 1.283 1.00 0.00 H new ATOM 1817 N THR A 113 -3.016 15.393 -1.231 1.00 0.00 N ATOM 1818 CA THR A 113 -1.906 16.168 -1.774 1.00 0.00 C ATOM 1819 C THR A 113 -0.597 15.384 -1.709 1.00 0.00 C ATOM 1820 O THR A 113 0.267 15.534 -2.572 1.00 0.00 O ATOM 1821 CB THR A 113 -1.764 17.489 -1.016 1.00 0.00 C ATOM 1822 OG1 THR A 113 -3.008 17.888 -0.468 1.00 0.00 O ATOM 1823 CG2 THR A 113 -1.258 18.622 -1.880 1.00 0.00 C ATOM 0 H THR A 113 -3.280 15.647 -0.279 1.00 0.00 H new ATOM 0 HA THR A 113 -2.123 16.376 -2.822 1.00 0.00 H new ATOM 0 HB THR A 113 -1.031 17.296 -0.233 1.00 0.00 H new ATOM 0 HG1 THR A 113 -2.874 18.210 0.448 1.00 0.00 H new ATOM 0 HG21 THR A 113 -1.180 19.529 -1.281 1.00 0.00 H new ATOM 0 HG22 THR A 113 -0.277 18.365 -2.279 1.00 0.00 H new ATOM 0 HG23 THR A 113 -1.952 18.789 -2.704 1.00 0.00 H new ATOM 1831 N MET A 114 -0.452 14.554 -0.678 1.00 0.00 N ATOM 1832 CA MET A 114 0.760 13.757 -0.504 1.00 0.00 C ATOM 1833 C MET A 114 1.028 12.883 -1.725 1.00 0.00 C ATOM 1834 O MET A 114 2.100 12.957 -2.326 1.00 0.00 O ATOM 1835 CB MET A 114 0.653 12.881 0.744 1.00 0.00 C ATOM 1836 CG MET A 114 1.984 12.303 1.202 1.00 0.00 C ATOM 1837 SD MET A 114 2.517 10.896 0.205 1.00 0.00 S ATOM 1838 CE MET A 114 2.215 9.544 1.339 1.00 0.00 C ATOM 0 H MET A 114 -1.156 14.416 0.047 1.00 0.00 H new ATOM 0 HA MET A 114 1.594 14.449 -0.385 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.225 13.470 1.555 1.00 0.00 H new ATOM 0 HB3 MET A 114 -0.039 12.063 0.544 1.00 0.00 H new ATOM 0 HG2 MET A 114 2.746 13.081 1.160 1.00 0.00 H new ATOM 0 HG3 MET A 114 1.901 11.993 2.244 1.00 0.00 H new ATOM 0 HE1 MET A 114 2.746 8.656 0.996 1.00 0.00 H new ATOM 0 HE2 MET A 114 2.569 9.817 2.333 1.00 0.00 H new ATOM 0 HE3 MET A 114 1.146 9.335 1.380 1.00 0.00 H new ATOM 1848 N LEU A 115 0.053 12.050 -2.085 1.00 0.00 N ATOM 1849 CA LEU A 115 0.195 11.159 -3.235 1.00 0.00 C ATOM 1850 C LEU A 115 0.739 11.922 -4.444 1.00 0.00 C ATOM 1851 O LEU A 115 1.750 11.534 -5.027 1.00 0.00 O ATOM 1852 CB LEU A 115 -1.151 10.514 -3.571 1.00 0.00 C ATOM 1853 CG LEU A 115 -1.958 10.045 -2.355 1.00 0.00 C ATOM 1854 CD1 LEU A 115 -3.063 11.040 -2.029 1.00 0.00 C ATOM 1855 CD2 LEU A 115 -2.540 8.658 -2.596 1.00 0.00 C ATOM 0 H LEU A 115 -0.841 11.973 -1.599 1.00 0.00 H new ATOM 0 HA LEU A 115 0.906 10.373 -2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -1.751 11.229 -4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -0.976 9.660 -4.225 1.00 0.00 H new ATOM 0 HG LEU A 115 -1.284 9.988 -1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -3.625 10.689 -1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.623 12.012 -1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.734 11.132 -2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -3.109 8.345 -1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -3.197 8.685 -3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -1.731 7.950 -2.775 1.00 0.00 H new ATOM 1867 N GLN A 116 0.078 13.026 -4.785 1.00 0.00 N ATOM 1868 CA GLN A 116 0.504 13.875 -5.898 1.00 0.00 C ATOM 1869 C GLN A 116 0.483 13.144 -7.241 1.00 0.00 C ATOM 1870 O GLN A 116 -0.266 13.512 -8.145 1.00 0.00 O ATOM 1871 CB GLN A 116 1.908 14.420 -5.632 1.00 0.00 C ATOM 1872 CG GLN A 116 2.123 15.831 -6.157 1.00 0.00 C ATOM 1873 CD GLN A 116 3.406 16.455 -5.642 1.00 0.00 C ATOM 1874 OE1 GLN A 116 3.476 16.907 -4.500 1.00 0.00 O ATOM 1875 NE2 GLN A 116 4.429 16.485 -6.487 1.00 0.00 N ATOM 0 H GLN A 116 -0.759 13.356 -4.304 1.00 0.00 H new ATOM 0 HA GLN A 116 -0.212 14.694 -5.964 1.00 0.00 H new ATOM 0 HB2 GLN A 116 2.096 14.408 -4.558 1.00 0.00 H new ATOM 0 HB3 GLN A 116 2.640 13.755 -6.091 1.00 0.00 H new ATOM 0 HG2 GLN A 116 2.145 15.810 -7.247 1.00 0.00 H new ATOM 0 HG3 GLN A 116 1.278 16.455 -5.867 1.00 0.00 H new ATOM 0 HE21 GLN A 116 4.327 16.098 -7.425 1.00 0.00 H new ATOM 0 HE22 GLN A 116 5.317 16.895 -6.198 1.00 0.00 H new ATOM 1884 N ASP A 117 1.327 12.125 -7.375 1.00 0.00 N ATOM 1885 CA ASP A 117 1.422 11.365 -8.618 1.00 0.00 C ATOM 1886 C ASP A 117 0.064 10.801 -9.040 1.00 0.00 C ATOM 1887 O ASP A 117 -0.577 10.072 -8.282 1.00 0.00 O ATOM 1888 CB ASP A 117 2.435 10.228 -8.464 1.00 0.00 C ATOM 1889 CG ASP A 117 3.373 10.127 -9.650 1.00 0.00 C ATOM 1890 OD1 ASP A 117 3.784 11.184 -10.172 1.00 0.00 O ATOM 1891 OD2 ASP A 117 3.696 8.992 -10.057 1.00 0.00 O ATOM 0 H ASP A 117 1.956 11.806 -6.638 1.00 0.00 H new ATOM 0 HA ASP A 117 1.758 12.047 -9.399 1.00 0.00 H new ATOM 0 HB2 ASP A 117 3.017 10.384 -7.556 1.00 0.00 H new ATOM 0 HB3 ASP A 117 1.903 9.284 -8.343 1.00 0.00 H new ATOM 1896 N PRO A 118 -0.393 11.134 -10.265 1.00 0.00 N ATOM 1897 CA PRO A 118 -1.680 10.658 -10.787 1.00 0.00 C ATOM 1898 C PRO A 118 -1.809 9.139 -10.738 1.00 0.00 C ATOM 1899 O PRO A 118 -2.917 8.605 -10.713 1.00 0.00 O ATOM 1900 CB PRO A 118 -1.677 11.140 -12.241 1.00 0.00 C ATOM 1901 CG PRO A 118 -0.758 12.309 -12.251 1.00 0.00 C ATOM 1902 CD PRO A 118 0.306 12.001 -11.234 1.00 0.00 C ATOM 0 HA PRO A 118 -2.515 11.034 -10.196 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -1.330 10.358 -12.916 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -2.678 11.421 -12.567 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -0.323 12.456 -13.240 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -1.289 13.226 -11.996 1.00 0.00 H new ATOM 0 HD2 PRO A 118 1.159 11.494 -11.685 1.00 0.00 H new ATOM 0 HD3 PRO A 118 0.686 12.907 -10.762 1.00 0.00 H new ATOM 1910 N ASP A 119 -0.674 8.445 -10.721 1.00 0.00 N ATOM 1911 CA ASP A 119 -0.680 6.989 -10.671 1.00 0.00 C ATOM 1912 C ASP A 119 -1.048 6.510 -9.283 1.00 0.00 C ATOM 1913 O ASP A 119 -1.921 5.661 -9.117 1.00 0.00 O ATOM 1914 CB ASP A 119 0.685 6.428 -11.042 1.00 0.00 C ATOM 1915 CG ASP A 119 0.819 6.155 -12.527 1.00 0.00 C ATOM 1916 OD1 ASP A 119 0.026 6.721 -13.309 1.00 0.00 O ATOM 1917 OD2 ASP A 119 1.717 5.375 -12.909 1.00 0.00 O ATOM 0 H ASP A 119 0.255 8.866 -10.741 1.00 0.00 H new ATOM 0 HA ASP A 119 -1.420 6.636 -11.389 1.00 0.00 H new ATOM 0 HB2 ASP A 119 1.459 7.132 -10.734 1.00 0.00 H new ATOM 0 HB3 ASP A 119 0.856 5.504 -10.490 1.00 0.00 H new ATOM 1922 N VAL A 120 -0.375 7.067 -8.285 1.00 0.00 N ATOM 1923 CA VAL A 120 -0.634 6.700 -6.906 1.00 0.00 C ATOM 1924 C VAL A 120 -2.079 6.994 -6.560 1.00 0.00 C ATOM 1925 O VAL A 120 -2.780 6.161 -5.986 1.00 0.00 O ATOM 1926 CB VAL A 120 0.273 7.461 -5.930 1.00 0.00 C ATOM 1927 CG1 VAL A 120 0.085 6.918 -4.526 1.00 0.00 C ATOM 1928 CG2 VAL A 120 1.727 7.373 -6.367 1.00 0.00 C ATOM 0 H VAL A 120 0.352 7.772 -8.407 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.426 5.635 -6.808 1.00 0.00 H new ATOM 0 HB VAL A 120 -0.006 8.515 -5.932 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.731 7.461 -3.836 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.955 7.043 -4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.344 5.859 -4.508 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.353 7.919 -5.661 1.00 0.00 H new ATOM 0 HG22 VAL A 120 2.036 6.328 -6.393 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.835 7.808 -7.360 1.00 0.00 H new ATOM 1938 N ARG A 121 -2.523 8.181 -6.944 1.00 0.00 N ATOM 1939 CA ARG A 121 -3.892 8.594 -6.711 1.00 0.00 C ATOM 1940 C ARG A 121 -4.850 7.570 -7.309 1.00 0.00 C ATOM 1941 O ARG A 121 -5.964 7.388 -6.822 1.00 0.00 O ATOM 1942 CB ARG A 121 -4.141 9.979 -7.315 1.00 0.00 C ATOM 1943 CG ARG A 121 -5.584 10.447 -7.201 1.00 0.00 C ATOM 1944 CD ARG A 121 -5.905 10.942 -5.798 1.00 0.00 C ATOM 1945 NE ARG A 121 -6.247 12.363 -5.784 1.00 0.00 N ATOM 1946 CZ ARG A 121 -6.957 12.946 -4.821 1.00 0.00 C ATOM 1947 NH1 ARG A 121 -7.400 12.238 -3.789 1.00 0.00 N ATOM 1948 NH2 ARG A 121 -7.225 14.244 -4.888 1.00 0.00 N ATOM 0 H ARG A 121 -1.949 8.876 -7.421 1.00 0.00 H new ATOM 0 HA ARG A 121 -4.066 8.653 -5.637 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -3.494 10.703 -6.820 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -3.856 9.963 -8.367 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -5.765 11.246 -7.919 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -6.254 9.627 -7.460 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -6.736 10.365 -5.391 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -5.048 10.769 -5.147 1.00 0.00 H new ATOM 0 HE ARG A 121 -5.922 12.942 -6.558 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -7.197 11.240 -3.730 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -7.944 12.692 -3.055 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -6.887 14.794 -5.677 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -7.769 14.691 -4.150 1.00 0.00 H new ATOM 1962 N GLU A 122 -4.408 6.904 -8.379 1.00 0.00 N ATOM 1963 CA GLU A 122 -5.240 5.906 -9.040 1.00 0.00 C ATOM 1964 C GLU A 122 -4.671 4.494 -8.888 1.00 0.00 C ATOM 1965 O GLU A 122 -5.106 3.575 -9.581 1.00 0.00 O ATOM 1966 CB GLU A 122 -5.391 6.247 -10.523 1.00 0.00 C ATOM 1967 CG GLU A 122 -6.635 7.062 -10.837 1.00 0.00 C ATOM 1968 CD GLU A 122 -7.908 6.244 -10.739 1.00 0.00 C ATOM 1969 OE1 GLU A 122 -7.820 4.999 -10.802 1.00 0.00 O ATOM 1970 OE2 GLU A 122 -8.993 6.848 -10.600 1.00 0.00 O ATOM 0 H GLU A 122 -3.488 7.038 -8.799 1.00 0.00 H new ATOM 0 HA GLU A 122 -6.217 5.924 -8.557 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -4.512 6.801 -10.851 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -5.418 5.322 -11.099 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -6.696 7.905 -10.149 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -6.550 7.476 -11.842 1.00 0.00 H new ATOM 1977 N PHE A 123 -3.701 4.314 -7.990 1.00 0.00 N ATOM 1978 CA PHE A 123 -3.108 2.996 -7.789 1.00 0.00 C ATOM 1979 C PHE A 123 -3.966 2.141 -6.864 1.00 0.00 C ATOM 1980 O PHE A 123 -4.257 0.984 -7.165 1.00 0.00 O ATOM 1981 CB PHE A 123 -1.695 3.127 -7.222 1.00 0.00 C ATOM 1982 CG PHE A 123 -0.635 2.594 -8.142 1.00 0.00 C ATOM 1983 CD1 PHE A 123 -0.554 1.239 -8.410 1.00 0.00 C ATOM 1984 CD2 PHE A 123 0.276 3.448 -8.740 1.00 0.00 C ATOM 1985 CE1 PHE A 123 0.419 0.742 -9.257 1.00 0.00 C ATOM 1986 CE2 PHE A 123 1.251 2.959 -9.590 1.00 0.00 C ATOM 1987 CZ PHE A 123 1.322 1.604 -9.848 1.00 0.00 C ATOM 0 H PHE A 123 -3.316 5.052 -7.401 1.00 0.00 H new ATOM 0 HA PHE A 123 -3.056 2.502 -8.759 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -1.491 4.177 -7.013 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -1.642 2.597 -6.271 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -1.259 0.561 -7.952 1.00 0.00 H new ATOM 0 HD2 PHE A 123 0.225 4.508 -8.540 1.00 0.00 H new ATOM 0 HE1 PHE A 123 0.473 -0.318 -9.456 1.00 0.00 H new ATOM 0 HE2 PHE A 123 1.956 3.635 -10.051 1.00 0.00 H new ATOM 0 HZ PHE A 123 2.083 1.219 -10.511 1.00 0.00 H new ATOM 1997 N LEU A 124 -4.365 2.718 -5.737 1.00 0.00 N ATOM 1998 CA LEU A 124 -5.188 2.007 -4.767 1.00 0.00 C ATOM 1999 C LEU A 124 -6.632 1.891 -5.249 1.00 0.00 C ATOM 2000 O LEU A 124 -7.355 0.973 -4.860 1.00 0.00 O ATOM 2001 CB LEU A 124 -5.136 2.712 -3.409 1.00 0.00 C ATOM 2002 CG LEU A 124 -5.932 4.018 -3.319 1.00 0.00 C ATOM 2003 CD1 LEU A 124 -6.934 3.957 -2.175 1.00 0.00 C ATOM 2004 CD2 LEU A 124 -4.995 5.205 -3.143 1.00 0.00 C ATOM 0 H LEU A 124 -4.132 3.675 -5.473 1.00 0.00 H new ATOM 0 HA LEU A 124 -4.787 0.999 -4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -5.507 2.026 -2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -4.094 2.923 -3.167 1.00 0.00 H new ATOM 0 HG LEU A 124 -6.482 4.148 -4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.489 4.894 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -7.627 3.132 -2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.404 3.801 -1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -5.579 6.123 -3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -4.417 5.080 -2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -4.317 5.263 -3.995 1.00 0.00 H new ATOM 2016 N GLU A 125 -7.046 2.824 -6.102 1.00 0.00 N ATOM 2017 CA GLU A 125 -8.402 2.819 -6.641 1.00 0.00 C ATOM 2018 C GLU A 125 -8.411 2.315 -8.080 1.00 0.00 C ATOM 2019 O GLU A 125 -9.248 2.722 -8.884 1.00 0.00 O ATOM 2020 CB GLU A 125 -9.006 4.223 -6.577 1.00 0.00 C ATOM 2021 CG GLU A 125 -10.495 4.258 -6.881 1.00 0.00 C ATOM 2022 CD GLU A 125 -10.878 5.410 -7.790 1.00 0.00 C ATOM 2023 OE1 GLU A 125 -10.458 6.553 -7.509 1.00 0.00 O ATOM 2024 OE2 GLU A 125 -11.600 5.171 -8.780 1.00 0.00 O ATOM 0 H GLU A 125 -6.463 3.592 -6.434 1.00 0.00 H new ATOM 0 HA GLU A 125 -9.005 2.145 -6.033 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.836 4.638 -5.583 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.484 4.867 -7.285 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.789 3.318 -7.348 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -11.051 4.337 -5.947 1.00 0.00 H new ATOM 2031 N LYS A 126 -7.473 1.427 -8.394 1.00 0.00 N ATOM 2032 CA LYS A 126 -7.373 0.867 -9.736 1.00 0.00 C ATOM 2033 C LYS A 126 -8.327 -0.311 -9.903 1.00 0.00 C ATOM 2034 O LYS A 126 -8.620 -1.025 -8.944 1.00 0.00 O ATOM 2035 CB LYS A 126 -5.934 0.423 -10.018 1.00 0.00 C ATOM 2036 CG LYS A 126 -5.395 0.915 -11.352 1.00 0.00 C ATOM 2037 CD LYS A 126 -5.997 0.144 -12.518 1.00 0.00 C ATOM 2038 CE LYS A 126 -6.737 1.066 -13.474 1.00 0.00 C ATOM 2039 NZ LYS A 126 -7.655 0.313 -14.371 1.00 0.00 N ATOM 0 H LYS A 126 -6.773 1.081 -7.738 1.00 0.00 H new ATOM 0 HA LYS A 126 -7.653 1.640 -10.451 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -5.288 0.785 -9.219 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -5.888 -0.666 -9.996 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -5.615 1.977 -11.465 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -4.310 0.811 -11.368 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -5.207 -0.380 -13.055 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -6.682 -0.614 -12.139 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -7.307 1.799 -12.903 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -6.016 1.621 -14.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -8.541 0.845 -14.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -7.205 0.185 -15.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -7.861 -0.618 -13.955 1.00 0.00 H new ATOM 2053 N GLU A 127 -8.809 -0.509 -11.126 1.00 0.00 N ATOM 2054 CA GLU A 127 -9.731 -1.601 -11.414 1.00 0.00 C ATOM 2055 C GLU A 127 -9.201 -2.479 -12.544 1.00 0.00 C ATOM 2056 O GLU A 127 -9.856 -2.652 -13.571 1.00 0.00 O ATOM 2057 CB GLU A 127 -11.109 -1.048 -11.779 1.00 0.00 C ATOM 2058 CG GLU A 127 -12.022 -0.860 -10.578 1.00 0.00 C ATOM 2059 CD GLU A 127 -13.295 -0.114 -10.924 1.00 0.00 C ATOM 2060 OE1 GLU A 127 -13.274 0.681 -11.887 1.00 0.00 O ATOM 2061 OE2 GLU A 127 -14.313 -0.324 -10.231 1.00 0.00 O ATOM 0 H GLU A 127 -8.577 0.072 -11.932 1.00 0.00 H new ATOM 0 HA GLU A 127 -9.821 -2.215 -10.518 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -10.986 -0.091 -12.285 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -11.588 -1.724 -12.487 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -12.278 -1.836 -10.165 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -11.486 -0.315 -9.801 1.00 0.00 H new ATOM 2068 N GLU A 128 -8.010 -3.032 -12.343 1.00 0.00 N ATOM 2069 CA GLU A 128 -7.390 -3.896 -13.342 1.00 0.00 C ATOM 2070 C GLU A 128 -7.185 -3.147 -14.656 1.00 0.00 C ATOM 2071 O GLU A 128 -6.098 -2.560 -14.837 1.00 0.00 O ATOM 2072 CB GLU A 128 -8.252 -5.137 -13.577 1.00 0.00 C ATOM 2073 CG GLU A 128 -7.630 -6.141 -14.534 1.00 0.00 C ATOM 2074 CD GLU A 128 -8.362 -7.469 -14.541 1.00 0.00 C ATOM 2075 OE1 GLU A 128 -9.599 -7.466 -14.362 1.00 0.00 O ATOM 2076 OE2 GLU A 128 -7.700 -8.511 -14.725 1.00 0.00 O ATOM 2077 OXT GLU A 128 -8.113 -3.157 -15.491 1.00 0.00 O ATOM 0 H GLU A 128 -7.455 -2.898 -11.498 1.00 0.00 H new ATOM 0 HA GLU A 128 -6.415 -4.206 -12.966 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -8.437 -5.626 -12.621 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -9.221 -4.827 -13.969 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -7.629 -5.725 -15.542 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -6.589 -6.305 -14.256 1.00 0.00 H new TER 2084 GLU A 128