USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 884 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 84 MET CE :methyl 154:sc= -0.897 (180deg=-2.58!) USER MOD Set 1.2: B 9 GLN : amide:sc= -7.12! C(o=-7.7!,f=-15!) USER MOD Set 1.3: B 11 THR OG1 : rot -130:sc= 0.291 USER MOD Set 2.1: A 78 LYS NZ :NH3+ 180:sc= -0.347 (180deg=-0.347) USER MOD Set 2.2: A 86 THR OG1 : rot 86:sc= 0.00807 USER MOD Set 3.1: A 31 LYS NZ :NH3+ -157:sc= 0.867 (180deg=0.471) USER MOD Set 3.2: A 33 ASN : amide:sc= -2.74 K(o=-1.9,f=-1.3!) USER MOD Set 4.1: A 29 SER OG : rot 73:sc= 0.546 USER MOD Set 4.2: B 12 LYS NZ :NH3+ 152:sc= 0.026 (180deg=-0.299) USER MOD Single : A 8 THR OG1 : rot 27:sc= 0.391 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -2.07 K(o=-2.1,f=-0.53) USER MOD Single : A 21 SER OG : rot 12:sc= -1.74 USER MOD Single : A 23 SER OG : rot 180:sc= 0.0874 USER MOD Single : A 35 SER OG : rot 180:sc= -0.398 USER MOD Single : A 36 LYS NZ :NH3+ 159:sc= 0.817 (180deg=-0.408!) USER MOD Single : A 38 ASN : amide:sc= -2.77 K(o=-2.8,f=-14!) USER MOD Single : A 39 HIS : no HE2:sc= 0.255 K(o=0.26,f=-0.96) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0.746 K(o=0.75,f=-0.84) USER MOD Single : A 56 SER OG : rot -105:sc= 0.565 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.51! C(o=-2.5!,f=-2.6!) USER MOD Single : A 66 GLN : amide:sc= -2.11 K(o=-2.1,f=-0.85) USER MOD Single : A 71 ASN : amide:sc= -6.15 K(o=-6.1,f=-8.6!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.146 USER MOD Single : A 80 ASN : amide:sc= -3.31! C(o=-3.3!,f=-11!) USER MOD Single : A 81 GLN : amide:sc= -7.43! C(o=-7.4!,f=-12!) USER MOD Single : A 90 SER OG : rot 111:sc= 0.773 USER MOD Single : A 91 MET CE :methyl 178:sc= -7.5! (180deg=-7.55!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -1.91! K(o=-1.9!,f=-0.85) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -170:sc= -1.84 (180deg=-2.42) USER MOD Single : A 102 GLN : amide:sc= -5 K(o=-5,f=-8.3!) USER MOD Single : A 110 SER OG : rot -59:sc= 0.502 USER MOD Single : B 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 7 HIS : no HD1:sc= -0.0636 X(o=-0.064,f=0) USER MOD Single : B 8 SER OG : rot 93:sc= 0.473 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 -5.185 -13.106 -6.724 1.00 0.00 N ATOM 2 CA GLY A 7 -5.490 -12.286 -7.882 1.00 0.00 C ATOM 3 C GLY A 7 -6.109 -10.956 -7.504 1.00 0.00 C ATOM 4 O GLY A 7 -7.200 -10.617 -7.961 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.576 -12.110 -8.449 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.172 -12.828 -8.537 1.00 0.00 H new ATOM 8 N THR A 8 -5.409 -10.197 -6.665 1.00 0.00 N ATOM 9 CA THR A 8 -5.898 -8.895 -6.227 1.00 0.00 C ATOM 10 C THR A 8 -4.739 -7.940 -5.951 1.00 0.00 C ATOM 11 O THR A 8 -4.260 -7.839 -4.821 1.00 0.00 O ATOM 12 CB THR A 8 -6.759 -9.045 -4.972 1.00 0.00 C ATOM 13 OG1 THR A 8 -6.027 -9.675 -3.935 1.00 0.00 O ATOM 14 CG2 THR A 8 -8.018 -9.854 -5.205 1.00 0.00 C ATOM 0 H THR A 8 -4.504 -10.461 -6.276 1.00 0.00 H new ATOM 0 HA THR A 8 -6.506 -8.477 -7.029 1.00 0.00 H new ATOM 0 HB THR A 8 -7.045 -8.031 -4.693 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.071 -9.495 -4.054 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.584 -9.923 -4.276 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.628 -9.367 -5.966 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.750 -10.856 -5.541 1.00 0.00 H new ATOM 22 N ARG A 9 -4.297 -7.242 -6.991 1.00 0.00 N ATOM 23 CA ARG A 9 -3.197 -6.294 -6.866 1.00 0.00 C ATOM 24 C ARG A 9 -3.342 -5.165 -7.881 1.00 0.00 C ATOM 25 O ARG A 9 -3.263 -5.391 -9.088 1.00 0.00 O ATOM 26 CB ARG A 9 -1.857 -7.004 -7.065 1.00 0.00 C ATOM 27 CG ARG A 9 -1.400 -7.796 -5.850 1.00 0.00 C ATOM 28 CD ARG A 9 -0.023 -8.405 -6.069 1.00 0.00 C ATOM 29 NE ARG A 9 0.142 -9.660 -5.340 1.00 0.00 N ATOM 30 CZ ARG A 9 0.442 -9.732 -4.045 1.00 0.00 C ATOM 31 NH1 ARG A 9 0.609 -8.626 -3.332 1.00 0.00 N ATOM 32 NH2 ARG A 9 0.577 -10.914 -3.462 1.00 0.00 N ATOM 0 H ARG A 9 -4.685 -7.315 -7.932 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.227 -5.868 -5.863 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.936 -7.677 -7.918 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.096 -6.263 -7.312 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.376 -7.144 -4.977 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.120 -8.587 -5.638 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.130 -8.581 -7.134 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.742 -7.697 -5.750 1.00 0.00 H new ATOM 0 HE ARG A 9 0.020 -10.533 -5.854 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.508 -7.713 -3.776 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.839 -8.688 -2.340 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.451 -11.768 -4.005 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.807 -10.970 -2.470 1.00 0.00 H new ATOM 46 N GLU A 10 -3.555 -3.949 -7.386 1.00 0.00 N ATOM 47 CA GLU A 10 -3.713 -2.791 -8.258 1.00 0.00 C ATOM 48 C GLU A 10 -2.523 -1.845 -8.137 1.00 0.00 C ATOM 49 O GLU A 10 -2.213 -1.354 -7.051 1.00 0.00 O ATOM 50 CB GLU A 10 -5.007 -2.045 -7.923 1.00 0.00 C ATOM 51 CG GLU A 10 -5.127 -1.658 -6.458 1.00 0.00 C ATOM 52 CD GLU A 10 -6.351 -0.806 -6.177 1.00 0.00 C ATOM 53 OE1 GLU A 10 -6.909 -0.232 -7.136 1.00 0.00 O ATOM 54 OE2 GLU A 10 -6.752 -0.714 -4.998 1.00 0.00 O ATOM 0 H GLU A 10 -3.622 -3.741 -6.390 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.763 -3.151 -9.286 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.065 -1.144 -8.534 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.857 -2.670 -8.195 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.171 -2.562 -5.850 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.233 -1.113 -6.156 1.00 0.00 H new ATOM 61 N PHE A 11 -1.862 -1.587 -9.262 1.00 0.00 N ATOM 62 CA PHE A 11 -0.709 -0.693 -9.284 1.00 0.00 C ATOM 63 C PHE A 11 -1.165 0.758 -9.171 1.00 0.00 C ATOM 64 O PHE A 11 -2.219 1.126 -9.692 1.00 0.00 O ATOM 65 CB PHE A 11 0.095 -0.893 -10.570 1.00 0.00 C ATOM 66 CG PHE A 11 0.799 -2.218 -10.635 1.00 0.00 C ATOM 67 CD1 PHE A 11 0.086 -3.386 -10.852 1.00 0.00 C ATOM 68 CD2 PHE A 11 2.173 -2.296 -10.482 1.00 0.00 C ATOM 69 CE1 PHE A 11 0.730 -4.608 -10.913 1.00 0.00 C ATOM 70 CE2 PHE A 11 2.824 -3.513 -10.542 1.00 0.00 C ATOM 71 CZ PHE A 11 2.102 -4.671 -10.757 1.00 0.00 C ATOM 0 H PHE A 11 -2.105 -1.984 -10.170 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.070 -0.929 -8.433 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.574 -0.804 -11.426 1.00 0.00 H new ATOM 0 HB3 PHE A 11 0.832 -0.094 -10.657 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.986 -3.341 -10.975 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.743 -1.394 -10.314 1.00 0.00 H new ATOM 0 HE1 PHE A 11 0.162 -5.511 -11.082 1.00 0.00 H new ATOM 0 HE2 PHE A 11 3.896 -3.559 -10.421 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.609 -5.624 -10.803 1.00 0.00 H new ATOM 81 N LEU A 12 -0.380 1.576 -8.481 1.00 0.00 N ATOM 82 CA LEU A 12 -0.730 2.982 -8.301 1.00 0.00 C ATOM 83 C LEU A 12 0.507 3.871 -8.282 1.00 0.00 C ATOM 84 O LEU A 12 1.283 3.858 -7.327 1.00 0.00 O ATOM 85 CB LEU A 12 -1.526 3.181 -7.004 1.00 0.00 C ATOM 86 CG LEU A 12 -2.171 1.919 -6.429 1.00 0.00 C ATOM 87 CD1 LEU A 12 -2.130 1.941 -4.908 1.00 0.00 C ATOM 88 CD2 LEU A 12 -3.601 1.775 -6.925 1.00 0.00 C ATOM 0 H LEU A 12 0.496 1.295 -8.040 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.347 3.271 -9.151 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.861 3.604 -6.251 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.309 3.917 -7.188 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.601 1.056 -6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.594 1.035 -4.518 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.094 1.992 -4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.673 2.812 -4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.043 0.871 -6.505 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.183 2.642 -6.613 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.604 1.708 -8.013 1.00 0.00 H new ATOM 100 N THR A 13 0.664 4.656 -9.337 1.00 0.00 N ATOM 101 CA THR A 13 1.788 5.578 -9.447 1.00 0.00 C ATOM 102 C THR A 13 1.494 6.844 -8.651 1.00 0.00 C ATOM 103 O THR A 13 0.355 7.313 -8.628 1.00 0.00 O ATOM 104 CB THR A 13 2.050 5.928 -10.912 1.00 0.00 C ATOM 105 OG1 THR A 13 2.068 4.759 -11.711 1.00 0.00 O ATOM 106 CG2 THR A 13 3.358 6.653 -11.130 1.00 0.00 C ATOM 0 H THR A 13 0.026 4.674 -10.132 1.00 0.00 H new ATOM 0 HA THR A 13 2.679 5.098 -9.042 1.00 0.00 H new ATOM 0 HB THR A 13 1.234 6.591 -11.200 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.235 5.004 -12.645 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.481 6.871 -12.191 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.355 7.586 -10.566 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.182 6.026 -10.791 1.00 0.00 H new ATOM 114 N PHE A 14 2.507 7.390 -7.983 1.00 0.00 N ATOM 115 CA PHE A 14 2.310 8.590 -7.178 1.00 0.00 C ATOM 116 C PHE A 14 3.426 9.610 -7.365 1.00 0.00 C ATOM 117 O PHE A 14 4.449 9.334 -7.991 1.00 0.00 O ATOM 118 CB PHE A 14 2.206 8.220 -5.696 1.00 0.00 C ATOM 119 CG PHE A 14 0.977 7.424 -5.346 1.00 0.00 C ATOM 120 CD1 PHE A 14 -0.226 7.645 -6.004 1.00 0.00 C ATOM 121 CD2 PHE A 14 1.026 6.456 -4.357 1.00 0.00 C ATOM 122 CE1 PHE A 14 -1.352 6.914 -5.680 1.00 0.00 C ATOM 123 CE2 PHE A 14 -0.098 5.721 -4.030 1.00 0.00 C ATOM 124 CZ PHE A 14 -1.288 5.950 -4.692 1.00 0.00 C ATOM 0 H PHE A 14 3.460 7.026 -7.983 1.00 0.00 H new ATOM 0 HA PHE A 14 1.382 9.049 -7.518 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.089 7.648 -5.413 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.215 9.134 -5.103 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.281 8.397 -6.777 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.954 6.273 -3.835 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.282 7.096 -6.198 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.046 4.968 -3.257 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.167 5.377 -4.438 1.00 0.00 H new ATOM 134 N GLU A 15 3.208 10.784 -6.788 1.00 0.00 N ATOM 135 CA GLU A 15 4.163 11.884 -6.830 1.00 0.00 C ATOM 136 C GLU A 15 4.120 12.604 -5.489 1.00 0.00 C ATOM 137 O GLU A 15 3.180 13.345 -5.205 1.00 0.00 O ATOM 138 CB GLU A 15 3.832 12.848 -7.970 1.00 0.00 C ATOM 139 CG GLU A 15 3.393 12.153 -9.250 1.00 0.00 C ATOM 140 CD GLU A 15 1.888 12.013 -9.351 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.324 11.144 -8.652 1.00 0.00 O ATOM 142 OE2 GLU A 15 1.271 12.771 -10.126 1.00 0.00 O ATOM 0 H GLU A 15 2.355 11.002 -6.273 1.00 0.00 H new ATOM 0 HA GLU A 15 5.165 11.496 -7.013 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.041 13.524 -7.644 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.708 13.461 -8.182 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.760 12.715 -10.109 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.850 11.165 -9.297 1.00 0.00 H new ATOM 149 N VAL A 16 5.110 12.339 -4.647 1.00 0.00 N ATOM 150 CA VAL A 16 5.144 12.918 -3.312 1.00 0.00 C ATOM 151 C VAL A 16 6.152 14.058 -3.175 1.00 0.00 C ATOM 152 O VAL A 16 7.359 13.822 -3.112 1.00 0.00 O ATOM 153 CB VAL A 16 5.478 11.833 -2.269 1.00 0.00 C ATOM 154 CG1 VAL A 16 5.402 12.394 -0.858 1.00 0.00 C ATOM 155 CG2 VAL A 16 4.545 10.642 -2.424 1.00 0.00 C ATOM 0 H VAL A 16 5.898 11.729 -4.864 1.00 0.00 H new ATOM 0 HA VAL A 16 4.151 13.332 -3.136 1.00 0.00 H new ATOM 0 HB VAL A 16 6.500 11.497 -2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.642 11.609 -0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.115 13.212 -0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.395 12.764 -0.667 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.794 9.885 -1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.514 10.966 -2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.657 10.220 -3.423 1.00 0.00 H new ATOM 165 N PRO A 17 5.669 15.314 -3.093 1.00 0.00 N ATOM 166 CA PRO A 17 6.534 16.477 -2.924 1.00 0.00 C ATOM 167 C PRO A 17 6.994 16.598 -1.476 1.00 0.00 C ATOM 168 O PRO A 17 6.172 16.570 -0.560 1.00 0.00 O ATOM 169 CB PRO A 17 5.636 17.668 -3.306 1.00 0.00 C ATOM 170 CG PRO A 17 4.317 17.084 -3.712 1.00 0.00 C ATOM 171 CD PRO A 17 4.258 15.702 -3.128 1.00 0.00 C ATOM 0 HA PRO A 17 7.438 16.419 -3.530 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.517 18.351 -2.465 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.076 18.241 -4.122 1.00 0.00 H new ATOM 0 HG2 PRO A 17 3.493 17.695 -3.343 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.227 17.049 -4.798 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.812 15.700 -2.134 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.666 15.026 -3.744 1.00 0.00 H new ATOM 179 N LEU A 18 8.300 16.712 -1.262 1.00 0.00 N ATOM 180 CA LEU A 18 8.837 16.806 0.092 1.00 0.00 C ATOM 181 C LEU A 18 9.717 18.032 0.271 1.00 0.00 C ATOM 182 O LEU A 18 10.634 18.032 1.092 1.00 0.00 O ATOM 183 CB LEU A 18 9.643 15.557 0.411 1.00 0.00 C ATOM 184 CG LEU A 18 10.716 15.249 -0.620 1.00 0.00 C ATOM 185 CD1 LEU A 18 12.006 14.805 0.055 1.00 0.00 C ATOM 186 CD2 LEU A 18 10.226 14.193 -1.599 1.00 0.00 C ATOM 0 H LEU A 18 9.002 16.741 -2.001 1.00 0.00 H new ATOM 0 HA LEU A 18 7.993 16.896 0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.112 15.676 1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.966 14.706 0.485 1.00 0.00 H new ATOM 0 HG LEU A 18 10.927 16.162 -1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.758 14.590 -0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.366 15.599 0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.818 13.907 0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.007 13.985 -2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.983 13.279 -1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.336 14.558 -2.112 1.00 0.00 H new ATOM 198 N ASN A 19 9.428 19.076 -0.489 1.00 0.00 N ATOM 199 CA ASN A 19 10.181 20.327 -0.410 1.00 0.00 C ATOM 200 C ASN A 19 10.544 20.662 1.038 1.00 0.00 C ATOM 201 O ASN A 19 11.598 21.234 1.314 1.00 0.00 O ATOM 202 CB ASN A 19 9.364 21.466 -1.020 1.00 0.00 C ATOM 203 CG ASN A 19 8.254 21.958 -0.103 1.00 0.00 C ATOM 204 OD1 ASN A 19 8.187 23.143 0.223 1.00 0.00 O ATOM 205 ND2 ASN A 19 7.377 21.050 0.319 1.00 0.00 N ATOM 0 H ASN A 19 8.672 19.086 -1.174 1.00 0.00 H new ATOM 0 HA ASN A 19 11.107 20.203 -0.972 1.00 0.00 H new ATOM 0 HB2 ASN A 19 10.029 22.297 -1.255 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.928 21.130 -1.961 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.614 21.327 0.936 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.468 20.078 0.025 1.00 0.00 H new ATOM 212 N ASP A 20 9.658 20.285 1.954 1.00 0.00 N ATOM 213 CA ASP A 20 9.866 20.521 3.375 1.00 0.00 C ATOM 214 C ASP A 20 10.157 19.208 4.085 1.00 0.00 C ATOM 215 O ASP A 20 10.932 19.159 5.039 1.00 0.00 O ATOM 216 CB ASP A 20 8.634 21.179 3.997 1.00 0.00 C ATOM 217 CG ASP A 20 8.370 22.562 3.435 1.00 0.00 C ATOM 218 OD1 ASP A 20 9.136 23.491 3.761 1.00 0.00 O ATOM 219 OD2 ASP A 20 7.396 22.713 2.669 1.00 0.00 O ATOM 0 H ASP A 20 8.782 19.811 1.733 1.00 0.00 H new ATOM 0 HA ASP A 20 10.718 21.191 3.491 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.762 20.548 3.824 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.769 21.248 5.076 1.00 0.00 H new ATOM 224 N SER A 21 9.528 18.143 3.600 1.00 0.00 N ATOM 225 CA SER A 21 9.710 16.817 4.171 1.00 0.00 C ATOM 226 C SER A 21 11.115 16.287 3.891 1.00 0.00 C ATOM 227 O SER A 21 11.505 15.247 4.422 1.00 0.00 O ATOM 228 CB SER A 21 8.661 15.856 3.611 1.00 0.00 C ATOM 229 OG SER A 21 9.063 14.506 3.773 1.00 0.00 O ATOM 0 H SER A 21 8.885 18.175 2.809 1.00 0.00 H new ATOM 0 HA SER A 21 9.585 16.891 5.251 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.709 16.018 4.117 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.500 16.066 2.554 1.00 0.00 H new ATOM 0 HG SER A 21 9.834 14.464 4.377 1.00 0.00 H new ATOM 235 N GLY A 22 11.875 17.001 3.054 1.00 0.00 N ATOM 236 CA GLY A 22 13.228 16.578 2.728 1.00 0.00 C ATOM 237 C GLY A 22 13.999 16.085 3.939 1.00 0.00 C ATOM 238 O GLY A 22 14.859 15.211 3.825 1.00 0.00 O ATOM 0 H GLY A 22 11.575 17.863 2.598 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.186 15.784 1.982 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.765 17.412 2.276 1.00 0.00 H new ATOM 242 N SER A 23 13.681 16.640 5.105 1.00 0.00 N ATOM 243 CA SER A 23 14.341 16.245 6.343 1.00 0.00 C ATOM 244 C SER A 23 13.696 14.986 6.912 1.00 0.00 C ATOM 245 O SER A 23 14.383 14.095 7.411 1.00 0.00 O ATOM 246 CB SER A 23 14.271 17.380 7.368 1.00 0.00 C ATOM 247 OG SER A 23 13.087 18.140 7.210 1.00 0.00 O ATOM 0 H SER A 23 12.971 17.364 5.217 1.00 0.00 H new ATOM 0 HA SER A 23 15.387 16.033 6.124 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.309 16.966 8.376 1.00 0.00 H new ATOM 0 HB3 SER A 23 15.140 18.028 7.257 1.00 0.00 H new ATOM 0 HG SER A 23 13.067 18.857 7.878 1.00 0.00 H new ATOM 253 N ALA A 24 12.370 14.919 6.828 1.00 0.00 N ATOM 254 CA ALA A 24 11.627 13.770 7.328 1.00 0.00 C ATOM 255 C ALA A 24 11.693 12.594 6.351 1.00 0.00 C ATOM 256 O ALA A 24 11.167 11.518 6.631 1.00 0.00 O ATOM 257 CB ALA A 24 10.179 14.159 7.585 1.00 0.00 C ATOM 0 H ALA A 24 11.789 15.649 6.417 1.00 0.00 H new ATOM 0 HA ALA A 24 12.086 13.452 8.264 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.631 13.294 7.959 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.143 14.959 8.325 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.724 14.503 6.656 1.00 0.00 H new ATOM 263 N GLY A 25 12.333 12.804 5.201 1.00 0.00 N ATOM 264 CA GLY A 25 12.440 11.750 4.209 1.00 0.00 C ATOM 265 C GLY A 25 11.306 11.798 3.205 1.00 0.00 C ATOM 266 O GLY A 25 11.535 11.791 1.996 1.00 0.00 O ATOM 0 H GLY A 25 12.778 13.684 4.941 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.392 11.840 3.685 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.441 10.781 4.708 1.00 0.00 H new ATOM 270 N LEU A 26 10.082 11.859 3.714 1.00 0.00 N ATOM 271 CA LEU A 26 8.896 11.921 2.868 1.00 0.00 C ATOM 272 C LEU A 26 7.631 12.005 3.715 1.00 0.00 C ATOM 273 O LEU A 26 6.672 12.677 3.345 1.00 0.00 O ATOM 274 CB LEU A 26 8.825 10.706 1.939 1.00 0.00 C ATOM 275 CG LEU A 26 8.091 10.948 0.618 1.00 0.00 C ATOM 276 CD1 LEU A 26 8.637 12.184 -0.082 1.00 0.00 C ATOM 277 CD2 LEU A 26 8.204 9.729 -0.287 1.00 0.00 C ATOM 0 H LEU A 26 9.884 11.867 4.715 1.00 0.00 H new ATOM 0 HA LEU A 26 8.968 12.821 2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.840 10.375 1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.332 9.891 2.468 1.00 0.00 H new ATOM 0 HG LEU A 26 7.037 11.117 0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.102 12.338 -1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.503 13.055 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.698 12.046 -0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.676 9.919 -1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.254 9.529 -0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.762 8.865 0.210 1.00 0.00 H new ATOM 289 N GLY A 27 7.639 11.327 4.859 1.00 0.00 N ATOM 290 CA GLY A 27 6.489 11.356 5.740 1.00 0.00 C ATOM 291 C GLY A 27 5.797 10.013 5.866 1.00 0.00 C ATOM 292 O GLY A 27 4.584 9.957 6.060 1.00 0.00 O ATOM 0 H GLY A 27 8.420 10.760 5.189 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.806 11.688 6.729 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.775 12.092 5.370 1.00 0.00 H new ATOM 296 N VAL A 28 6.558 8.927 5.754 1.00 0.00 N ATOM 297 CA VAL A 28 5.982 7.589 5.863 1.00 0.00 C ATOM 298 C VAL A 28 6.978 6.583 6.426 1.00 0.00 C ATOM 299 O VAL A 28 8.190 6.737 6.275 1.00 0.00 O ATOM 300 CB VAL A 28 5.492 7.067 4.498 1.00 0.00 C ATOM 301 CG1 VAL A 28 4.326 7.893 3.990 1.00 0.00 C ATOM 302 CG2 VAL A 28 6.631 7.058 3.488 1.00 0.00 C ATOM 0 H VAL A 28 7.564 8.946 5.590 1.00 0.00 H new ATOM 0 HA VAL A 28 5.138 7.685 6.546 1.00 0.00 H new ATOM 0 HB VAL A 28 5.145 6.042 4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.998 7.505 3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.503 7.837 4.702 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.638 8.931 3.876 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.265 6.686 2.531 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.014 8.071 3.362 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.431 6.410 3.847 1.00 0.00 H new ATOM 312 N SER A 29 6.450 5.537 7.051 1.00 0.00 N ATOM 313 CA SER A 29 7.276 4.478 7.615 1.00 0.00 C ATOM 314 C SER A 29 7.079 3.203 6.809 1.00 0.00 C ATOM 315 O SER A 29 5.977 2.656 6.766 1.00 0.00 O ATOM 316 CB SER A 29 6.916 4.233 9.082 1.00 0.00 C ATOM 317 OG SER A 29 6.504 5.433 9.715 1.00 0.00 O ATOM 0 H SER A 29 5.447 5.400 7.180 1.00 0.00 H new ATOM 0 HA SER A 29 8.322 4.782 7.568 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.118 3.493 9.145 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.777 3.819 9.606 1.00 0.00 H new ATOM 0 HG SER A 29 5.608 5.677 9.402 1.00 0.00 H new ATOM 323 N VAL A 30 8.138 2.744 6.154 1.00 0.00 N ATOM 324 CA VAL A 30 8.057 1.542 5.331 1.00 0.00 C ATOM 325 C VAL A 30 8.786 0.365 5.970 1.00 0.00 C ATOM 326 O VAL A 30 9.847 0.527 6.573 1.00 0.00 O ATOM 327 CB VAL A 30 8.636 1.785 3.924 1.00 0.00 C ATOM 328 CG1 VAL A 30 7.640 2.540 3.060 1.00 0.00 C ATOM 329 CG2 VAL A 30 9.956 2.537 4.009 1.00 0.00 C ATOM 0 H VAL A 30 9.059 3.182 6.176 1.00 0.00 H new ATOM 0 HA VAL A 30 6.998 1.298 5.250 1.00 0.00 H new ATOM 0 HB VAL A 30 8.826 0.818 3.459 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.067 2.702 2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.723 1.958 2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.415 3.502 3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.348 2.698 3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.796 3.499 4.495 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.671 1.953 4.588 1.00 0.00 H new ATOM 339 N LYS A 31 8.207 -0.820 5.818 1.00 0.00 N ATOM 340 CA LYS A 31 8.789 -2.041 6.364 1.00 0.00 C ATOM 341 C LYS A 31 8.526 -3.214 5.425 1.00 0.00 C ATOM 342 O LYS A 31 7.399 -3.414 4.974 1.00 0.00 O ATOM 343 CB LYS A 31 8.213 -2.338 7.750 1.00 0.00 C ATOM 344 CG LYS A 31 6.711 -2.572 7.747 1.00 0.00 C ATOM 345 CD LYS A 31 6.377 -4.052 7.787 1.00 0.00 C ATOM 346 CE LYS A 31 4.918 -4.305 7.441 1.00 0.00 C ATOM 347 NZ LYS A 31 4.269 -5.229 8.410 1.00 0.00 N ATOM 0 H LYS A 31 7.329 -0.962 5.318 1.00 0.00 H new ATOM 0 HA LYS A 31 9.865 -1.898 6.459 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.709 -3.218 8.159 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.441 -1.505 8.415 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.263 -2.074 8.607 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.274 -2.124 6.855 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.016 -4.589 7.086 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.590 -4.447 8.780 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.379 -3.358 7.426 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.851 -4.726 6.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.446 -5.680 7.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.949 -5.960 8.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.958 -4.693 9.246 1.00 0.00 H new ATOM 361 N GLY A 32 9.571 -3.974 5.119 1.00 0.00 N ATOM 362 CA GLY A 32 9.422 -5.102 4.220 1.00 0.00 C ATOM 363 C GLY A 32 9.125 -6.403 4.934 1.00 0.00 C ATOM 364 O GLY A 32 9.422 -6.556 6.120 1.00 0.00 O ATOM 0 H GLY A 32 10.516 -3.830 5.476 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.618 -4.891 3.514 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.336 -5.216 3.637 1.00 0.00 H new ATOM 368 N ASN A 33 8.538 -7.346 4.202 1.00 0.00 N ATOM 369 CA ASN A 33 8.198 -8.652 4.757 1.00 0.00 C ATOM 370 C ASN A 33 8.964 -9.758 4.040 1.00 0.00 C ATOM 371 O ASN A 33 9.786 -9.488 3.165 1.00 0.00 O ATOM 372 CB ASN A 33 6.692 -8.907 4.643 1.00 0.00 C ATOM 373 CG ASN A 33 5.913 -8.307 5.795 1.00 0.00 C ATOM 374 OD1 ASN A 33 5.166 -9.002 6.483 1.00 0.00 O ATOM 375 ND2 ASN A 33 6.079 -7.007 6.009 1.00 0.00 N ATOM 0 H ASN A 33 8.287 -7.229 3.220 1.00 0.00 H new ATOM 0 HA ASN A 33 8.480 -8.655 5.810 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.326 -8.490 3.705 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.510 -9.981 4.606 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.577 -6.547 6.768 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.709 -6.469 5.414 1.00 0.00 H new ATOM 382 N ARG A 34 8.687 -11.001 4.414 1.00 0.00 N ATOM 383 CA ARG A 34 9.348 -12.148 3.802 1.00 0.00 C ATOM 384 C ARG A 34 8.354 -13.281 3.568 1.00 0.00 C ATOM 385 O ARG A 34 7.360 -13.406 4.282 1.00 0.00 O ATOM 386 CB ARG A 34 10.500 -12.633 4.686 1.00 0.00 C ATOM 387 CG ARG A 34 11.855 -12.077 4.275 1.00 0.00 C ATOM 388 CD ARG A 34 12.836 -12.067 5.436 1.00 0.00 C ATOM 389 NE ARG A 34 13.331 -10.722 5.723 1.00 0.00 N ATOM 390 CZ ARG A 34 12.713 -9.856 6.525 1.00 0.00 C ATOM 391 NH1 ARG A 34 11.574 -10.184 7.121 1.00 0.00 N ATOM 392 NH2 ARG A 34 13.237 -8.654 6.728 1.00 0.00 N ATOM 0 H ARG A 34 8.010 -11.241 5.138 1.00 0.00 H new ATOM 0 HA ARG A 34 9.751 -11.836 2.838 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.298 -12.351 5.719 1.00 0.00 H new ATOM 0 HB3 ARG A 34 10.538 -13.722 4.655 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.262 -12.676 3.460 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.732 -11.063 3.894 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.351 -12.472 6.324 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.677 -12.721 5.206 1.00 0.00 H new ATOM 0 HE ARG A 34 14.203 -10.428 5.282 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.165 -11.105 6.967 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.108 -9.515 7.733 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.111 -8.395 6.270 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.766 -7.989 7.342 1.00 0.00 H new ATOM 406 N SER A 35 8.630 -14.102 2.560 1.00 0.00 N ATOM 407 CA SER A 35 7.759 -15.224 2.229 1.00 0.00 C ATOM 408 C SER A 35 7.582 -16.153 3.425 1.00 0.00 C ATOM 409 O SER A 35 8.534 -16.427 4.157 1.00 0.00 O ATOM 410 CB SER A 35 8.326 -16.002 1.040 1.00 0.00 C ATOM 411 OG SER A 35 7.728 -15.586 -0.175 1.00 0.00 O ATOM 0 H SER A 35 9.449 -14.012 1.959 1.00 0.00 H new ATOM 0 HA SER A 35 6.781 -14.824 1.960 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.405 -15.855 0.987 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.156 -17.069 1.186 1.00 0.00 H new ATOM 0 HG SER A 35 8.109 -16.097 -0.919 1.00 0.00 H new ATOM 417 N LYS A 36 6.359 -16.635 3.619 1.00 0.00 N ATOM 418 CA LYS A 36 6.058 -17.533 4.727 1.00 0.00 C ATOM 419 C LYS A 36 6.816 -18.850 4.585 1.00 0.00 C ATOM 420 O LYS A 36 7.144 -19.500 5.579 1.00 0.00 O ATOM 421 CB LYS A 36 4.552 -17.800 4.797 1.00 0.00 C ATOM 422 CG LYS A 36 3.972 -17.649 6.194 1.00 0.00 C ATOM 423 CD LYS A 36 2.733 -18.509 6.381 1.00 0.00 C ATOM 424 CE LYS A 36 1.582 -18.021 5.517 1.00 0.00 C ATOM 425 NZ LYS A 36 0.662 -17.125 6.271 1.00 0.00 N ATOM 0 H LYS A 36 5.560 -16.418 3.023 1.00 0.00 H new ATOM 0 HA LYS A 36 6.379 -17.051 5.651 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.038 -17.114 4.123 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.353 -18.810 4.437 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.724 -17.927 6.933 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.721 -16.604 6.373 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.965 -19.544 6.129 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.434 -18.496 7.429 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.978 -17.490 4.652 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.025 -18.877 5.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.119 -16.543 5.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.008 -17.699 6.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.216 -16.507 6.898 1.00 0.00 H new ATOM 439 N GLU A 37 7.092 -19.239 3.344 1.00 0.00 N ATOM 440 CA GLU A 37 7.812 -20.479 3.074 1.00 0.00 C ATOM 441 C GLU A 37 9.320 -20.269 3.176 1.00 0.00 C ATOM 442 O GLU A 37 9.961 -20.754 4.107 1.00 0.00 O ATOM 443 CB GLU A 37 7.451 -21.011 1.685 1.00 0.00 C ATOM 444 CG GLU A 37 5.965 -21.272 1.501 1.00 0.00 C ATOM 445 CD GLU A 37 5.614 -22.741 1.609 1.00 0.00 C ATOM 446 OE1 GLU A 37 6.470 -23.584 1.267 1.00 0.00 O ATOM 447 OE2 GLU A 37 4.482 -23.053 2.034 1.00 0.00 O ATOM 0 H GLU A 37 6.828 -18.714 2.510 1.00 0.00 H new ATOM 0 HA GLU A 37 7.516 -21.212 3.825 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.781 -20.294 0.933 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.999 -21.936 1.506 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.406 -20.713 2.251 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.652 -20.898 0.526 1.00 0.00 H new ATOM 454 N ASN A 38 9.877 -19.544 2.213 1.00 0.00 N ATOM 455 CA ASN A 38 11.310 -19.269 2.195 1.00 0.00 C ATOM 456 C ASN A 38 11.603 -17.866 2.714 1.00 0.00 C ATOM 457 O ASN A 38 10.702 -17.161 3.169 1.00 0.00 O ATOM 458 CB ASN A 38 11.861 -19.428 0.776 1.00 0.00 C ATOM 459 CG ASN A 38 11.192 -18.494 -0.214 1.00 0.00 C ATOM 460 OD1 ASN A 38 10.759 -17.400 0.144 1.00 0.00 O ATOM 461 ND2 ASN A 38 11.103 -18.925 -1.466 1.00 0.00 N ATOM 0 H ASN A 38 9.359 -19.136 1.435 1.00 0.00 H new ATOM 0 HA ASN A 38 11.801 -19.987 2.852 1.00 0.00 H new ATOM 0 HB2 ASN A 38 12.934 -19.237 0.783 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.723 -20.459 0.449 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.661 -18.341 -2.176 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.476 -19.840 -1.718 1.00 0.00 H new ATOM 468 N HIS A 39 12.868 -17.465 2.644 1.00 0.00 N ATOM 469 CA HIS A 39 13.278 -16.144 3.110 1.00 0.00 C ATOM 470 C HIS A 39 13.275 -15.135 1.963 1.00 0.00 C ATOM 471 O HIS A 39 14.218 -14.359 1.803 1.00 0.00 O ATOM 472 CB HIS A 39 14.669 -16.214 3.741 1.00 0.00 C ATOM 473 CG HIS A 39 14.694 -16.924 5.059 1.00 0.00 C ATOM 474 ND1 HIS A 39 13.877 -16.581 6.115 1.00 0.00 N ATOM 475 CD2 HIS A 39 15.443 -17.968 5.489 1.00 0.00 C ATOM 476 CE1 HIS A 39 14.123 -17.380 7.139 1.00 0.00 C ATOM 477 NE2 HIS A 39 15.069 -18.230 6.783 1.00 0.00 N ATOM 0 H HIS A 39 13.627 -18.035 2.270 1.00 0.00 H new ATOM 0 HA HIS A 39 12.562 -15.812 3.861 1.00 0.00 H new ATOM 0 HB2 HIS A 39 15.346 -16.720 3.053 1.00 0.00 H new ATOM 0 HB3 HIS A 39 15.049 -15.201 3.876 1.00 0.00 H new ATOM 0 HD1 HIS A 39 13.189 -15.828 6.107 1.00 0.00 H new ATOM 0 HD2 HIS A 39 16.194 -18.495 4.920 1.00 0.00 H new ATOM 0 HE1 HIS A 39 13.634 -17.344 8.101 1.00 0.00 H new ATOM 486 N ALA A 40 12.209 -15.152 1.169 1.00 0.00 N ATOM 487 CA ALA A 40 12.085 -14.239 0.040 1.00 0.00 C ATOM 488 C ALA A 40 11.327 -12.977 0.436 1.00 0.00 C ATOM 489 O ALA A 40 10.140 -13.030 0.757 1.00 0.00 O ATOM 490 CB ALA A 40 11.390 -14.930 -1.124 1.00 0.00 C ATOM 0 H ALA A 40 11.420 -15.787 1.287 1.00 0.00 H new ATOM 0 HA ALA A 40 13.088 -13.947 -0.271 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.304 -14.236 -1.960 1.00 0.00 H new ATOM 0 HB2 ALA A 40 11.972 -15.799 -1.431 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.395 -15.251 -0.815 1.00 0.00 H new ATOM 496 N ASP A 41 12.020 -11.843 0.413 1.00 0.00 N ATOM 497 CA ASP A 41 11.410 -10.567 0.771 1.00 0.00 C ATOM 498 C ASP A 41 10.179 -10.290 -0.086 1.00 0.00 C ATOM 499 O ASP A 41 10.213 -10.446 -1.307 1.00 0.00 O ATOM 500 CB ASP A 41 12.423 -9.434 0.608 1.00 0.00 C ATOM 501 CG ASP A 41 13.146 -9.493 -0.722 1.00 0.00 C ATOM 502 OD1 ASP A 41 12.606 -8.962 -1.716 1.00 0.00 O ATOM 503 OD2 ASP A 41 14.251 -10.072 -0.774 1.00 0.00 O ATOM 0 H ASP A 41 13.004 -11.781 0.150 1.00 0.00 H new ATOM 0 HA ASP A 41 11.098 -10.622 1.814 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.910 -8.476 0.698 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.152 -9.483 1.417 1.00 0.00 H new ATOM 508 N LEU A 42 9.094 -9.880 0.562 1.00 0.00 N ATOM 509 CA LEU A 42 7.851 -9.582 -0.143 1.00 0.00 C ATOM 510 C LEU A 42 7.746 -8.095 -0.477 1.00 0.00 C ATOM 511 O LEU A 42 6.663 -7.596 -0.783 1.00 0.00 O ATOM 512 CB LEU A 42 6.649 -10.014 0.700 1.00 0.00 C ATOM 513 CG LEU A 42 6.678 -11.465 1.178 1.00 0.00 C ATOM 514 CD1 LEU A 42 5.393 -11.809 1.916 1.00 0.00 C ATOM 515 CD2 LEU A 42 6.888 -12.409 0.003 1.00 0.00 C ATOM 0 H LEU A 42 9.049 -9.746 1.572 1.00 0.00 H new ATOM 0 HA LEU A 42 7.854 -10.141 -1.079 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.583 -9.362 1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.742 -9.858 0.117 1.00 0.00 H new ATOM 0 HG LEU A 42 7.513 -11.584 1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.431 -12.846 2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.283 -11.154 2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.542 -11.674 1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.906 -13.438 0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.073 -12.288 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.835 -12.178 -0.484 1.00 0.00 H new ATOM 527 N GLY A 43 8.874 -7.391 -0.417 1.00 0.00 N ATOM 528 CA GLY A 43 8.877 -5.972 -0.717 1.00 0.00 C ATOM 529 C GLY A 43 8.556 -5.125 0.498 1.00 0.00 C ATOM 530 O GLY A 43 8.312 -5.654 1.583 1.00 0.00 O ATOM 0 H GLY A 43 9.784 -7.779 -0.166 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.854 -5.688 -1.107 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.149 -5.768 -1.502 1.00 0.00 H new ATOM 534 N ILE A 44 8.555 -3.805 0.315 1.00 0.00 N ATOM 535 CA ILE A 44 8.259 -2.881 1.405 1.00 0.00 C ATOM 536 C ILE A 44 6.851 -2.314 1.281 1.00 0.00 C ATOM 537 O ILE A 44 6.416 -1.933 0.195 1.00 0.00 O ATOM 538 CB ILE A 44 9.265 -1.711 1.454 1.00 0.00 C ATOM 539 CG1 ILE A 44 9.555 -1.190 0.041 1.00 0.00 C ATOM 540 CG2 ILE A 44 10.548 -2.139 2.150 1.00 0.00 C ATOM 541 CD1 ILE A 44 10.832 -1.733 -0.567 1.00 0.00 C ATOM 0 H ILE A 44 8.756 -3.354 -0.577 1.00 0.00 H new ATOM 0 HA ILE A 44 8.340 -3.456 2.327 1.00 0.00 H new ATOM 0 HB ILE A 44 8.822 -0.898 2.030 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.718 -1.447 -0.608 1.00 0.00 H new ATOM 0 HG13 ILE A 44 9.613 -0.102 0.071 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.245 -1.301 2.175 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.322 -2.453 3.169 1.00 0.00 H new ATOM 0 HG23 ILE A 44 10.998 -2.969 1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.965 -1.317 -1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.680 -1.454 0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.771 -2.819 -0.632 1.00 0.00 H new ATOM 553 N PHE A 45 6.142 -2.262 2.404 1.00 0.00 N ATOM 554 CA PHE A 45 4.781 -1.740 2.427 1.00 0.00 C ATOM 555 C PHE A 45 4.657 -0.603 3.433 1.00 0.00 C ATOM 556 O PHE A 45 5.332 -0.594 4.463 1.00 0.00 O ATOM 557 CB PHE A 45 3.778 -2.846 2.774 1.00 0.00 C ATOM 558 CG PHE A 45 4.237 -4.227 2.394 1.00 0.00 C ATOM 559 CD1 PHE A 45 5.238 -4.857 3.113 1.00 0.00 C ATOM 560 CD2 PHE A 45 3.667 -4.890 1.319 1.00 0.00 C ATOM 561 CE1 PHE A 45 5.663 -6.125 2.767 1.00 0.00 C ATOM 562 CE2 PHE A 45 4.089 -6.159 0.969 1.00 0.00 C ATOM 563 CZ PHE A 45 5.088 -6.777 1.695 1.00 0.00 C ATOM 0 H PHE A 45 6.488 -2.575 3.311 1.00 0.00 H new ATOM 0 HA PHE A 45 4.555 -1.359 1.431 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.581 -2.821 3.846 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.833 -2.637 2.272 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.691 -4.352 3.953 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.885 -4.410 0.749 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.445 -6.606 3.335 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.638 -6.666 0.129 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.419 -7.769 1.424 1.00 0.00 H new ATOM 573 N VAL A 46 3.787 0.352 3.130 1.00 0.00 N ATOM 574 CA VAL A 46 3.567 1.493 4.006 1.00 0.00 C ATOM 575 C VAL A 46 3.119 1.035 5.389 1.00 0.00 C ATOM 576 O VAL A 46 1.975 0.626 5.577 1.00 0.00 O ATOM 577 CB VAL A 46 2.515 2.453 3.417 1.00 0.00 C ATOM 578 CG1 VAL A 46 2.364 3.692 4.285 1.00 0.00 C ATOM 579 CG2 VAL A 46 2.884 2.837 1.994 1.00 0.00 C ATOM 0 H VAL A 46 3.221 0.358 2.281 1.00 0.00 H new ATOM 0 HA VAL A 46 4.515 2.023 4.094 1.00 0.00 H new ATOM 0 HB VAL A 46 1.555 1.936 3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.616 4.353 3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.048 3.399 5.286 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.319 4.213 4.344 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.131 3.515 1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.856 3.331 1.991 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.931 1.941 1.376 1.00 0.00 H new ATOM 589 N LYS A 47 4.030 1.105 6.352 1.00 0.00 N ATOM 590 CA LYS A 47 3.732 0.697 7.720 1.00 0.00 C ATOM 591 C LYS A 47 2.888 1.751 8.424 1.00 0.00 C ATOM 592 O LYS A 47 1.958 1.424 9.163 1.00 0.00 O ATOM 593 CB LYS A 47 5.028 0.457 8.500 1.00 0.00 C ATOM 594 CG LYS A 47 4.803 0.092 9.958 1.00 0.00 C ATOM 595 CD LYS A 47 4.265 -1.322 10.104 1.00 0.00 C ATOM 596 CE LYS A 47 3.358 -1.450 11.316 1.00 0.00 C ATOM 597 NZ LYS A 47 2.186 -2.329 11.044 1.00 0.00 N ATOM 0 H LYS A 47 4.983 1.441 6.211 1.00 0.00 H new ATOM 0 HA LYS A 47 3.166 -0.233 7.682 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.590 -0.342 8.017 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.644 1.355 8.450 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.741 0.183 10.506 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.102 0.797 10.406 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.714 -1.597 9.205 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.096 -2.021 10.195 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.927 -1.853 12.154 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.009 -0.461 11.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.593 -2.390 11.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.628 -1.932 10.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.518 -3.280 10.785 1.00 0.00 H new ATOM 611 N SER A 48 3.217 3.016 8.191 1.00 0.00 N ATOM 612 CA SER A 48 2.483 4.116 8.807 1.00 0.00 C ATOM 613 C SER A 48 2.864 5.453 8.180 1.00 0.00 C ATOM 614 O SER A 48 4.005 5.902 8.293 1.00 0.00 O ATOM 615 CB SER A 48 2.745 4.149 10.315 1.00 0.00 C ATOM 616 OG SER A 48 1.530 4.139 11.043 1.00 0.00 O ATOM 0 H SER A 48 3.983 3.305 7.583 1.00 0.00 H new ATOM 0 HA SER A 48 1.420 3.950 8.633 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.351 3.289 10.601 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.317 5.041 10.569 1.00 0.00 H new ATOM 0 HG SER A 48 1.724 4.159 12.003 1.00 0.00 H new ATOM 622 N ILE A 49 1.897 6.085 7.521 1.00 0.00 N ATOM 623 CA ILE A 49 2.125 7.371 6.874 1.00 0.00 C ATOM 624 C ILE A 49 2.042 8.515 7.877 1.00 0.00 C ATOM 625 O ILE A 49 1.003 8.745 8.495 1.00 0.00 O ATOM 626 CB ILE A 49 1.106 7.616 5.745 1.00 0.00 C ATOM 627 CG1 ILE A 49 1.115 6.437 4.776 1.00 0.00 C ATOM 628 CG2 ILE A 49 1.407 8.917 5.014 1.00 0.00 C ATOM 629 CD1 ILE A 49 0.107 6.563 3.655 1.00 0.00 C ATOM 0 H ILE A 49 0.947 5.726 7.422 1.00 0.00 H new ATOM 0 HA ILE A 49 3.128 7.339 6.449 1.00 0.00 H new ATOM 0 HB ILE A 49 0.112 7.704 6.184 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.112 6.339 4.347 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.915 5.520 5.331 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.674 9.067 4.222 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.358 9.749 5.717 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.405 8.868 4.580 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.172 5.689 3.007 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.897 6.630 4.074 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.319 7.461 3.075 1.00 0.00 H new ATOM 641 N ILE A 50 3.147 9.235 8.021 1.00 0.00 N ATOM 642 CA ILE A 50 3.211 10.369 8.936 1.00 0.00 C ATOM 643 C ILE A 50 2.167 11.416 8.565 1.00 0.00 C ATOM 644 O ILE A 50 2.334 12.149 7.592 1.00 0.00 O ATOM 645 CB ILE A 50 4.618 11.021 8.927 1.00 0.00 C ATOM 646 CG1 ILE A 50 5.630 10.111 9.620 1.00 0.00 C ATOM 647 CG2 ILE A 50 4.599 12.388 9.605 1.00 0.00 C ATOM 648 CD1 ILE A 50 6.666 9.531 8.683 1.00 0.00 C ATOM 0 H ILE A 50 4.014 9.054 7.515 1.00 0.00 H new ATOM 0 HA ILE A 50 3.007 9.992 9.938 1.00 0.00 H new ATOM 0 HB ILE A 50 4.914 11.160 7.887 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.136 10.675 10.403 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.097 9.295 10.109 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.600 12.819 9.583 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.908 13.046 9.078 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.275 12.276 10.640 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.350 8.896 9.245 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.170 8.939 7.914 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.225 10.340 8.213 1.00 0.00 H new ATOM 660 N ASN A 51 1.093 11.483 9.345 1.00 0.00 N ATOM 661 CA ASN A 51 0.027 12.448 9.093 1.00 0.00 C ATOM 662 C ASN A 51 0.548 13.874 9.239 1.00 0.00 C ATOM 663 O ASN A 51 0.293 14.543 10.239 1.00 0.00 O ATOM 664 CB ASN A 51 -1.153 12.216 10.044 1.00 0.00 C ATOM 665 CG ASN A 51 -0.713 11.901 11.460 1.00 0.00 C ATOM 666 OD1 ASN A 51 -0.891 10.781 11.941 1.00 0.00 O ATOM 667 ND2 ASN A 51 -0.137 12.887 12.136 1.00 0.00 N ATOM 0 H ASN A 51 0.937 10.883 10.155 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.321 12.307 8.070 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.786 13.104 10.054 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.762 11.395 9.666 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.178 12.733 13.094 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.010 13.799 11.698 1.00 0.00 H new ATOM 674 N GLY A 52 1.285 14.327 8.234 1.00 0.00 N ATOM 675 CA GLY A 52 1.845 15.661 8.257 1.00 0.00 C ATOM 676 C GLY A 52 3.011 15.804 7.301 1.00 0.00 C ATOM 677 O GLY A 52 3.287 16.896 6.804 1.00 0.00 O ATOM 0 H GLY A 52 1.506 13.788 7.397 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.072 16.383 7.996 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.174 15.898 9.269 1.00 0.00 H new ATOM 681 N GLY A 53 3.698 14.693 7.038 1.00 0.00 N ATOM 682 CA GLY A 53 4.829 14.721 6.134 1.00 0.00 C ATOM 683 C GLY A 53 4.416 14.968 4.697 1.00 0.00 C ATOM 684 O GLY A 53 3.265 15.306 4.421 1.00 0.00 O ATOM 0 H GLY A 53 3.489 13.777 7.436 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.523 15.501 6.449 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.364 13.774 6.197 1.00 0.00 H new ATOM 688 N ALA A 54 5.363 14.805 3.783 1.00 0.00 N ATOM 689 CA ALA A 54 5.107 15.018 2.366 1.00 0.00 C ATOM 690 C ALA A 54 4.177 13.959 1.786 1.00 0.00 C ATOM 691 O ALA A 54 3.318 14.261 0.958 1.00 0.00 O ATOM 692 CB ALA A 54 6.420 15.037 1.603 1.00 0.00 C ATOM 0 H ALA A 54 6.320 14.525 4.000 1.00 0.00 H new ATOM 0 HA ALA A 54 4.607 15.981 2.261 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.223 15.197 0.543 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.049 15.843 1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.933 14.084 1.737 1.00 0.00 H new ATOM 698 N ALA A 55 4.356 12.717 2.216 1.00 0.00 N ATOM 699 CA ALA A 55 3.534 11.619 1.725 1.00 0.00 C ATOM 700 C ALA A 55 2.084 11.782 2.158 1.00 0.00 C ATOM 701 O ALA A 55 1.166 11.636 1.351 1.00 0.00 O ATOM 702 CB ALA A 55 4.090 10.288 2.202 1.00 0.00 C ATOM 0 H ALA A 55 5.061 12.445 2.902 1.00 0.00 H new ATOM 0 HA ALA A 55 3.560 11.637 0.635 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.465 9.477 1.827 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.107 10.164 1.830 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.097 10.266 3.292 1.00 0.00 H new ATOM 708 N SER A 56 1.883 12.098 3.430 1.00 0.00 N ATOM 709 CA SER A 56 0.541 12.295 3.958 1.00 0.00 C ATOM 710 C SER A 56 -0.117 13.481 3.269 1.00 0.00 C ATOM 711 O SER A 56 -1.321 13.483 3.014 1.00 0.00 O ATOM 712 CB SER A 56 0.591 12.529 5.467 1.00 0.00 C ATOM 713 OG SER A 56 1.477 13.588 5.785 1.00 0.00 O ATOM 0 H SER A 56 2.630 12.223 4.113 1.00 0.00 H new ATOM 0 HA SER A 56 -0.047 11.398 3.764 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.408 12.762 5.836 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.912 11.617 5.970 1.00 0.00 H new ATOM 0 HG SER A 56 2.308 13.220 6.152 1.00 0.00 H new ATOM 719 N LYS A 57 0.697 14.485 2.961 1.00 0.00 N ATOM 720 CA LYS A 57 0.218 15.683 2.289 1.00 0.00 C ATOM 721 C LYS A 57 -0.238 15.363 0.873 1.00 0.00 C ATOM 722 O LYS A 57 -1.163 15.982 0.351 1.00 0.00 O ATOM 723 CB LYS A 57 1.315 16.729 2.269 1.00 0.00 C ATOM 724 CG LYS A 57 1.447 17.438 3.597 1.00 0.00 C ATOM 725 CD LYS A 57 2.626 18.374 3.596 1.00 0.00 C ATOM 726 CE LYS A 57 2.246 19.720 3.010 1.00 0.00 C ATOM 727 NZ LYS A 57 3.290 20.752 3.255 1.00 0.00 N ATOM 0 H LYS A 57 1.696 14.491 3.168 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.639 16.074 2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.263 16.255 2.016 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.105 17.459 1.488 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.535 17.997 3.807 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.562 16.704 4.395 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.992 18.506 4.614 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.441 17.938 3.018 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.085 19.615 1.937 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.302 20.050 3.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.989 21.656 2.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.426 20.872 4.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.185 20.451 2.820 1.00 0.00 H new ATOM 741 N ASP A 58 0.418 14.382 0.261 1.00 0.00 N ATOM 742 CA ASP A 58 0.082 13.961 -1.093 1.00 0.00 C ATOM 743 C ASP A 58 -1.383 13.541 -1.173 1.00 0.00 C ATOM 744 O ASP A 58 -2.031 13.688 -2.210 1.00 0.00 O ATOM 745 CB ASP A 58 0.985 12.805 -1.526 1.00 0.00 C ATOM 746 CG ASP A 58 1.587 13.024 -2.900 1.00 0.00 C ATOM 747 OD1 ASP A 58 1.668 14.193 -3.333 1.00 0.00 O ATOM 748 OD2 ASP A 58 1.973 12.026 -3.543 1.00 0.00 O ATOM 0 H ASP A 58 1.188 13.863 0.684 1.00 0.00 H new ATOM 0 HA ASP A 58 0.240 14.803 -1.767 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.786 12.681 -0.797 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.410 11.879 -1.528 1.00 0.00 H new ATOM 753 N GLY A 59 -1.900 13.027 -0.061 1.00 0.00 N ATOM 754 CA GLY A 59 -3.285 12.600 -0.006 1.00 0.00 C ATOM 755 C GLY A 59 -3.616 11.497 -0.996 1.00 0.00 C ATOM 756 O GLY A 59 -4.762 11.376 -1.427 1.00 0.00 O ATOM 0 H GLY A 59 -1.380 12.898 0.807 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.511 12.253 1.002 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.930 13.457 -0.200 1.00 0.00 H new ATOM 760 N ARG A 60 -2.624 10.687 -1.357 1.00 0.00 N ATOM 761 CA ARG A 60 -2.851 9.594 -2.298 1.00 0.00 C ATOM 762 C ARG A 60 -2.196 8.298 -1.823 1.00 0.00 C ATOM 763 O ARG A 60 -2.255 7.278 -2.507 1.00 0.00 O ATOM 764 CB ARG A 60 -2.331 9.968 -3.689 1.00 0.00 C ATOM 765 CG ARG A 60 -0.817 9.953 -3.805 1.00 0.00 C ATOM 766 CD ARG A 60 -0.346 10.752 -5.007 1.00 0.00 C ATOM 767 NE ARG A 60 -0.347 12.186 -4.736 1.00 0.00 N ATOM 768 CZ ARG A 60 0.015 13.109 -5.623 1.00 0.00 C ATOM 769 NH1 ARG A 60 0.378 12.756 -6.850 1.00 0.00 N ATOM 770 NH2 ARG A 60 0.014 14.391 -5.283 1.00 0.00 N ATOM 0 H ARG A 60 -1.666 10.765 -1.017 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.927 9.426 -2.353 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.748 9.276 -4.420 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.695 10.962 -3.947 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.377 10.365 -2.897 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.467 8.924 -3.890 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.659 10.435 -5.284 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.992 10.542 -5.859 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.643 12.499 -3.811 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.381 11.772 -7.118 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.654 13.469 -7.525 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.264 14.669 -4.342 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.291 15.099 -5.963 1.00 0.00 H new ATOM 784 N LEU A 61 -1.570 8.342 -0.649 1.00 0.00 N ATOM 785 CA LEU A 61 -0.909 7.169 -0.095 1.00 0.00 C ATOM 786 C LEU A 61 -1.676 6.623 1.103 1.00 0.00 C ATOM 787 O LEU A 61 -2.362 7.365 1.806 1.00 0.00 O ATOM 788 CB LEU A 61 0.520 7.514 0.324 1.00 0.00 C ATOM 789 CG LEU A 61 1.553 7.503 -0.804 1.00 0.00 C ATOM 790 CD1 LEU A 61 1.886 6.080 -1.217 1.00 0.00 C ATOM 791 CD2 LEU A 61 1.057 8.306 -1.998 1.00 0.00 C ATOM 0 H LEU A 61 -1.508 9.177 -0.066 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.883 6.402 -0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.518 8.503 0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.837 6.807 1.091 1.00 0.00 H new ATOM 0 HG LEU A 61 2.464 7.972 -0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.622 6.097 -2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.293 5.539 -0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.981 5.581 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.808 8.284 -2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.128 7.872 -2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.880 9.338 -1.694 1.00 0.00 H new ATOM 803 N ARG A 62 -1.548 5.322 1.333 1.00 0.00 N ATOM 804 CA ARG A 62 -2.219 4.671 2.452 1.00 0.00 C ATOM 805 C ARG A 62 -1.405 3.486 2.955 1.00 0.00 C ATOM 806 O ARG A 62 -0.750 2.793 2.175 1.00 0.00 O ATOM 807 CB ARG A 62 -3.619 4.207 2.046 1.00 0.00 C ATOM 808 CG ARG A 62 -3.689 3.639 0.640 1.00 0.00 C ATOM 809 CD ARG A 62 -4.617 4.458 -0.243 1.00 0.00 C ATOM 810 NE ARG A 62 -4.286 4.318 -1.658 1.00 0.00 N ATOM 811 CZ ARG A 62 -4.711 5.150 -2.604 1.00 0.00 C ATOM 812 NH1 ARG A 62 -5.489 6.179 -2.291 1.00 0.00 N ATOM 813 NH2 ARG A 62 -4.359 4.953 -3.865 1.00 0.00 N ATOM 0 H ARG A 62 -0.984 4.696 0.758 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.310 5.399 3.258 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.960 3.450 2.752 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.308 5.048 2.123 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.691 3.621 0.203 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.038 2.607 0.680 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.647 4.142 -0.078 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.556 5.508 0.042 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.694 3.536 -1.937 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.763 6.334 -1.321 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.812 6.814 -3.021 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.762 4.163 -4.110 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.685 5.591 -4.591 1.00 0.00 H new ATOM 827 N VAL A 63 -1.450 3.258 4.262 1.00 0.00 N ATOM 828 CA VAL A 63 -0.716 2.157 4.875 1.00 0.00 C ATOM 829 C VAL A 63 -1.036 0.832 4.185 1.00 0.00 C ATOM 830 O VAL A 63 -2.166 0.608 3.750 1.00 0.00 O ATOM 831 CB VAL A 63 -1.036 2.054 6.382 1.00 0.00 C ATOM 832 CG1 VAL A 63 -0.253 0.923 7.036 1.00 0.00 C ATOM 833 CG2 VAL A 63 -0.739 3.376 7.070 1.00 0.00 C ATOM 0 H VAL A 63 -1.988 3.822 4.919 1.00 0.00 H new ATOM 0 HA VAL A 63 0.347 2.364 4.755 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.097 1.829 6.491 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.500 0.876 8.097 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.514 -0.022 6.560 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.815 1.105 6.920 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.968 3.293 8.132 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.315 3.623 6.944 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.351 4.162 6.627 1.00 0.00 H new ATOM 843 N ASN A 64 -0.021 -0.033 4.085 1.00 0.00 N ATOM 844 CA ASN A 64 -0.148 -1.351 3.447 1.00 0.00 C ATOM 845 C ASN A 64 0.247 -1.295 1.973 1.00 0.00 C ATOM 846 O ASN A 64 0.461 -2.330 1.341 1.00 0.00 O ATOM 847 CB ASN A 64 -1.566 -1.920 3.587 1.00 0.00 C ATOM 848 CG ASN A 64 -2.097 -1.816 5.004 1.00 0.00 C ATOM 849 OD1 ASN A 64 -1.432 -2.219 5.959 1.00 0.00 O ATOM 850 ND2 ASN A 64 -3.300 -1.274 5.146 1.00 0.00 N ATOM 0 H ASN A 64 0.914 0.160 4.444 1.00 0.00 H new ATOM 0 HA ASN A 64 0.539 -2.018 3.969 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.236 -1.388 2.912 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.567 -2.965 3.278 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.709 -1.178 6.075 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.815 -0.954 4.326 1.00 0.00 H new ATOM 857 N ASP A 65 0.351 -0.086 1.427 1.00 0.00 N ATOM 858 CA ASP A 65 0.728 0.088 0.028 1.00 0.00 C ATOM 859 C ASP A 65 2.117 -0.489 -0.233 1.00 0.00 C ATOM 860 O ASP A 65 3.121 0.053 0.229 1.00 0.00 O ATOM 861 CB ASP A 65 0.698 1.571 -0.348 1.00 0.00 C ATOM 862 CG ASP A 65 -0.662 2.017 -0.848 1.00 0.00 C ATOM 863 OD1 ASP A 65 -1.566 1.162 -0.956 1.00 0.00 O ATOM 864 OD2 ASP A 65 -0.823 3.222 -1.132 1.00 0.00 O ATOM 0 H ASP A 65 0.180 0.785 1.930 1.00 0.00 H new ATOM 0 HA ASP A 65 0.008 -0.450 -0.589 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.976 2.168 0.521 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.445 1.762 -1.118 1.00 0.00 H new ATOM 869 N GLN A 66 2.166 -1.593 -0.972 1.00 0.00 N ATOM 870 CA GLN A 66 3.432 -2.245 -1.292 1.00 0.00 C ATOM 871 C GLN A 66 4.191 -1.469 -2.365 1.00 0.00 C ATOM 872 O GLN A 66 3.772 -1.420 -3.519 1.00 0.00 O ATOM 873 CB GLN A 66 3.184 -3.679 -1.766 1.00 0.00 C ATOM 874 CG GLN A 66 4.414 -4.568 -1.688 1.00 0.00 C ATOM 875 CD GLN A 66 5.200 -4.589 -2.985 1.00 0.00 C ATOM 876 OE1 GLN A 66 4.632 -4.744 -4.066 1.00 0.00 O ATOM 877 NE2 GLN A 66 6.515 -4.432 -2.883 1.00 0.00 N ATOM 0 H GLN A 66 1.344 -2.055 -1.361 1.00 0.00 H new ATOM 0 HA GLN A 66 4.039 -2.266 -0.387 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.389 -4.119 -1.164 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.828 -3.656 -2.796 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.059 -4.220 -0.882 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.109 -5.583 -1.436 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.944 -4.306 -1.966 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.096 -4.437 -3.722 1.00 0.00 H new ATOM 886 N LEU A 67 5.309 -0.864 -1.977 1.00 0.00 N ATOM 887 CA LEU A 67 6.118 -0.092 -2.912 1.00 0.00 C ATOM 888 C LEU A 67 6.627 -0.968 -4.049 1.00 0.00 C ATOM 889 O LEU A 67 7.072 -2.094 -3.831 1.00 0.00 O ATOM 890 CB LEU A 67 7.300 0.557 -2.194 1.00 0.00 C ATOM 891 CG LEU A 67 6.925 1.450 -1.012 1.00 0.00 C ATOM 892 CD1 LEU A 67 8.162 1.813 -0.204 1.00 0.00 C ATOM 893 CD2 LEU A 67 6.214 2.705 -1.499 1.00 0.00 C ATOM 0 H LEU A 67 5.674 -0.893 -1.025 1.00 0.00 H new ATOM 0 HA LEU A 67 5.483 0.689 -3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.967 -0.229 -1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.862 1.151 -2.915 1.00 0.00 H new ATOM 0 HG LEU A 67 6.244 0.899 -0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.876 2.449 0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.629 0.904 0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.868 2.347 -0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.954 3.330 -0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.872 3.260 -2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.306 2.425 -2.034 1.00 0.00 H new ATOM 905 N ILE A 68 6.560 -0.438 -5.263 1.00 0.00 N ATOM 906 CA ILE A 68 7.017 -1.163 -6.443 1.00 0.00 C ATOM 907 C ILE A 68 8.139 -0.411 -7.150 1.00 0.00 C ATOM 908 O ILE A 68 9.054 -1.019 -7.702 1.00 0.00 O ATOM 909 CB ILE A 68 5.867 -1.399 -7.440 1.00 0.00 C ATOM 910 CG1 ILE A 68 4.643 -1.965 -6.718 1.00 0.00 C ATOM 911 CG2 ILE A 68 6.314 -2.335 -8.551 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.394 -1.980 -7.570 1.00 0.00 C ATOM 0 H ILE A 68 6.193 0.494 -5.458 1.00 0.00 H new ATOM 0 HA ILE A 68 7.390 -2.126 -6.095 1.00 0.00 H new ATOM 0 HB ILE A 68 5.591 -0.443 -7.886 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.862 -2.981 -6.390 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.455 -1.375 -5.821 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.491 -2.492 -9.248 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.158 -1.894 -9.081 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.614 -3.291 -8.122 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.566 -2.394 -6.994 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.150 -0.963 -7.876 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.564 -2.594 -8.454 1.00 0.00 H new ATOM 924 N ALA A 69 8.062 0.917 -7.128 1.00 0.00 N ATOM 925 CA ALA A 69 9.074 1.747 -7.770 1.00 0.00 C ATOM 926 C ALA A 69 9.138 3.136 -7.141 1.00 0.00 C ATOM 927 O ALA A 69 8.117 3.703 -6.752 1.00 0.00 O ATOM 928 CB ALA A 69 8.796 1.854 -9.263 1.00 0.00 C ATOM 0 H ALA A 69 7.312 1.439 -6.674 1.00 0.00 H new ATOM 0 HA ALA A 69 10.043 1.270 -7.621 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.559 2.476 -9.731 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.815 0.860 -9.709 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.815 2.303 -9.419 1.00 0.00 H new ATOM 934 N VAL A 70 10.348 3.679 -7.054 1.00 0.00 N ATOM 935 CA VAL A 70 10.562 5.005 -6.484 1.00 0.00 C ATOM 936 C VAL A 70 11.475 5.831 -7.385 1.00 0.00 C ATOM 937 O VAL A 70 12.525 5.357 -7.819 1.00 0.00 O ATOM 938 CB VAL A 70 11.184 4.923 -5.074 1.00 0.00 C ATOM 939 CG1 VAL A 70 12.484 4.134 -5.109 1.00 0.00 C ATOM 940 CG2 VAL A 70 11.414 6.314 -4.502 1.00 0.00 C ATOM 0 H VAL A 70 11.200 3.218 -7.373 1.00 0.00 H new ATOM 0 HA VAL A 70 9.586 5.485 -6.407 1.00 0.00 H new ATOM 0 HB VAL A 70 10.483 4.401 -4.422 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.908 4.087 -4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.287 3.124 -5.468 1.00 0.00 H new ATOM 0 HG13 VAL A 70 13.190 4.625 -5.779 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.853 6.231 -3.508 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.091 6.867 -5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.463 6.842 -4.435 1.00 0.00 H new ATOM 950 N ASN A 71 11.071 7.065 -7.665 1.00 0.00 N ATOM 951 CA ASN A 71 11.859 7.947 -8.520 1.00 0.00 C ATOM 952 C ASN A 71 12.000 7.363 -9.923 1.00 0.00 C ATOM 953 O ASN A 71 12.966 7.649 -10.631 1.00 0.00 O ATOM 954 CB ASN A 71 13.247 8.172 -7.912 1.00 0.00 C ATOM 955 CG ASN A 71 13.360 9.499 -7.190 1.00 0.00 C ATOM 956 OD1 ASN A 71 13.738 10.511 -7.779 1.00 0.00 O ATOM 957 ND2 ASN A 71 13.031 9.499 -5.904 1.00 0.00 N ATOM 0 H ASN A 71 10.206 7.477 -7.314 1.00 0.00 H new ATOM 0 HA ASN A 71 11.338 8.902 -8.592 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.470 7.364 -7.215 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.997 8.128 -8.702 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.087 10.362 -5.363 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.723 8.636 -5.456 1.00 0.00 H new ATOM 964 N GLY A 72 11.035 6.539 -10.317 1.00 0.00 N ATOM 965 CA GLY A 72 11.078 5.925 -11.631 1.00 0.00 C ATOM 966 C GLY A 72 12.034 4.749 -11.686 1.00 0.00 C ATOM 967 O GLY A 72 12.537 4.398 -12.753 1.00 0.00 O ATOM 0 H GLY A 72 10.225 6.286 -9.751 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.078 5.590 -11.906 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.379 6.670 -12.368 1.00 0.00 H new ATOM 971 N GLU A 73 12.285 4.140 -10.531 1.00 0.00 N ATOM 972 CA GLU A 73 13.188 2.997 -10.446 1.00 0.00 C ATOM 973 C GLU A 73 12.537 1.848 -9.687 1.00 0.00 C ATOM 974 O GLU A 73 12.439 1.877 -8.460 1.00 0.00 O ATOM 975 CB GLU A 73 14.496 3.401 -9.762 1.00 0.00 C ATOM 976 CG GLU A 73 15.014 4.764 -10.192 1.00 0.00 C ATOM 977 CD GLU A 73 16.477 4.737 -10.584 1.00 0.00 C ATOM 978 OE1 GLU A 73 17.199 3.829 -10.119 1.00 0.00 O ATOM 979 OE2 GLU A 73 16.904 5.623 -11.354 1.00 0.00 O ATOM 0 H GLU A 73 11.875 4.419 -9.640 1.00 0.00 H new ATOM 0 HA GLU A 73 13.407 2.662 -11.460 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.346 3.403 -8.682 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.255 2.649 -9.977 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.423 5.123 -11.034 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.873 5.475 -9.378 1.00 0.00 H new ATOM 986 N SER A 74 12.092 0.834 -10.423 1.00 0.00 N ATOM 987 CA SER A 74 11.450 -0.328 -9.818 1.00 0.00 C ATOM 988 C SER A 74 12.370 -0.987 -8.797 1.00 0.00 C ATOM 989 O SER A 74 13.580 -1.078 -9.004 1.00 0.00 O ATOM 990 CB SER A 74 11.058 -1.338 -10.897 1.00 0.00 C ATOM 991 OG SER A 74 10.779 -2.607 -10.331 1.00 0.00 O ATOM 0 H SER A 74 12.164 0.794 -11.440 1.00 0.00 H new ATOM 0 HA SER A 74 10.551 0.011 -9.303 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.183 -0.977 -11.437 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.865 -1.430 -11.624 1.00 0.00 H new ATOM 0 HG SER A 74 10.529 -3.234 -11.041 1.00 0.00 H new ATOM 997 N LEU A 75 11.790 -1.441 -7.692 1.00 0.00 N ATOM 998 CA LEU A 75 12.562 -2.087 -6.636 1.00 0.00 C ATOM 999 C LEU A 75 12.430 -3.609 -6.694 1.00 0.00 C ATOM 1000 O LEU A 75 12.968 -4.317 -5.842 1.00 0.00 O ATOM 1001 CB LEU A 75 12.106 -1.585 -5.266 1.00 0.00 C ATOM 1002 CG LEU A 75 11.888 -0.072 -5.164 1.00 0.00 C ATOM 1003 CD1 LEU A 75 10.641 0.236 -4.349 1.00 0.00 C ATOM 1004 CD2 LEU A 75 13.106 0.602 -4.549 1.00 0.00 C ATOM 0 H LEU A 75 10.790 -1.374 -7.504 1.00 0.00 H new ATOM 0 HA LEU A 75 13.610 -1.830 -6.790 1.00 0.00 H new ATOM 0 HB2 LEU A 75 11.175 -2.088 -5.004 1.00 0.00 H new ATOM 0 HB3 LEU A 75 12.848 -1.880 -4.524 1.00 0.00 H new ATOM 0 HG LEU A 75 11.746 0.322 -6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.504 1.316 -4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.772 -0.214 -4.829 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.753 -0.173 -3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.933 1.676 -4.484 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.278 0.201 -3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.980 0.412 -5.172 1.00 0.00 H new ATOM 1016 N LEU A 76 11.716 -4.110 -7.697 1.00 0.00 N ATOM 1017 CA LEU A 76 11.520 -5.546 -7.850 1.00 0.00 C ATOM 1018 C LEU A 76 12.847 -6.264 -8.109 1.00 0.00 C ATOM 1019 O LEU A 76 12.933 -7.485 -7.983 1.00 0.00 O ATOM 1020 CB LEU A 76 10.542 -5.827 -8.993 1.00 0.00 C ATOM 1021 CG LEU A 76 9.452 -6.852 -8.674 1.00 0.00 C ATOM 1022 CD1 LEU A 76 8.493 -6.303 -7.630 1.00 0.00 C ATOM 1023 CD2 LEU A 76 8.703 -7.241 -9.938 1.00 0.00 C ATOM 0 H LEU A 76 11.264 -3.543 -8.415 1.00 0.00 H new ATOM 0 HA LEU A 76 11.104 -5.928 -6.918 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.065 -4.890 -9.282 1.00 0.00 H new ATOM 0 HB3 LEU A 76 11.107 -6.177 -9.857 1.00 0.00 H new ATOM 0 HG LEU A 76 9.926 -7.745 -8.267 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.724 -7.046 -7.416 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.042 -6.074 -6.716 1.00 0.00 H new ATOM 0 HD13 LEU A 76 8.024 -5.395 -8.008 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.931 -7.971 -9.694 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.240 -6.356 -10.374 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.400 -7.676 -10.654 1.00 0.00 H new ATOM 1035 N GLY A 77 13.875 -5.503 -8.475 1.00 0.00 N ATOM 1036 CA GLY A 77 15.173 -6.093 -8.747 1.00 0.00 C ATOM 1037 C GLY A 77 16.053 -6.195 -7.512 1.00 0.00 C ATOM 1038 O GLY A 77 17.256 -6.425 -7.624 1.00 0.00 O ATOM 0 H GLY A 77 13.832 -4.490 -8.588 1.00 0.00 H new ATOM 0 HA2 GLY A 77 15.032 -7.088 -9.168 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.685 -5.497 -9.502 1.00 0.00 H new ATOM 1042 N LYS A 78 15.458 -6.027 -6.333 1.00 0.00 N ATOM 1043 CA LYS A 78 16.210 -6.108 -5.085 1.00 0.00 C ATOM 1044 C LYS A 78 15.304 -6.457 -3.915 1.00 0.00 C ATOM 1045 O LYS A 78 14.091 -6.604 -4.068 1.00 0.00 O ATOM 1046 CB LYS A 78 16.955 -4.799 -4.815 1.00 0.00 C ATOM 1047 CG LYS A 78 16.065 -3.669 -4.330 1.00 0.00 C ATOM 1048 CD LYS A 78 16.695 -2.312 -4.601 1.00 0.00 C ATOM 1049 CE LYS A 78 15.692 -1.346 -5.203 1.00 0.00 C ATOM 1050 NZ LYS A 78 16.029 -1.000 -6.612 1.00 0.00 N ATOM 0 H LYS A 78 14.463 -5.835 -6.217 1.00 0.00 H new ATOM 0 HA LYS A 78 16.943 -6.908 -5.192 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.731 -4.981 -4.071 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.458 -4.484 -5.729 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.096 -3.728 -4.826 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.883 -3.780 -3.261 1.00 0.00 H new ATOM 0 HD2 LYS A 78 17.087 -1.899 -3.672 1.00 0.00 H new ATOM 0 HD3 LYS A 78 17.540 -2.431 -5.279 1.00 0.00 H new ATOM 0 HE2 LYS A 78 14.696 -1.787 -5.166 1.00 0.00 H new ATOM 0 HE3 LYS A 78 15.660 -0.436 -4.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 15.319 -0.338 -6.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.969 -0.555 -6.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.035 -1.865 -7.190 1.00 0.00 H new ATOM 1064 N ALA A 79 15.915 -6.605 -2.751 1.00 0.00 N ATOM 1065 CA ALA A 79 15.195 -6.958 -1.542 1.00 0.00 C ATOM 1066 C ALA A 79 14.538 -5.741 -0.900 1.00 0.00 C ATOM 1067 O ALA A 79 14.732 -4.610 -1.346 1.00 0.00 O ATOM 1068 CB ALA A 79 16.147 -7.634 -0.573 1.00 0.00 C ATOM 0 H ALA A 79 16.919 -6.484 -2.619 1.00 0.00 H new ATOM 0 HA ALA A 79 14.393 -7.648 -1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 79 15.610 -7.901 0.337 1.00 0.00 H new ATOM 0 HB2 ALA A 79 16.554 -8.535 -1.032 1.00 0.00 H new ATOM 0 HB3 ALA A 79 16.961 -6.952 -0.327 1.00 0.00 H new ATOM 1074 N ASN A 80 13.752 -5.982 0.147 1.00 0.00 N ATOM 1075 CA ASN A 80 13.056 -4.907 0.847 1.00 0.00 C ATOM 1076 C ASN A 80 14.039 -3.892 1.424 1.00 0.00 C ATOM 1077 O ASN A 80 13.899 -2.691 1.202 1.00 0.00 O ATOM 1078 CB ASN A 80 12.170 -5.467 1.962 1.00 0.00 C ATOM 1079 CG ASN A 80 12.840 -6.574 2.752 1.00 0.00 C ATOM 1080 OD1 ASN A 80 13.955 -6.415 3.246 1.00 0.00 O ATOM 1081 ND2 ASN A 80 12.158 -7.706 2.876 1.00 0.00 N ATOM 0 H ASN A 80 13.582 -6.912 0.529 1.00 0.00 H new ATOM 0 HA ASN A 80 12.426 -4.398 0.118 1.00 0.00 H new ATOM 0 HB2 ASN A 80 11.895 -4.659 2.640 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.245 -5.847 1.527 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.556 -8.487 3.398 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.236 -7.795 2.450 1.00 0.00 H new ATOM 1088 N GLN A 81 15.029 -4.377 2.169 1.00 0.00 N ATOM 1089 CA GLN A 81 16.021 -3.492 2.773 1.00 0.00 C ATOM 1090 C GLN A 81 16.776 -2.719 1.698 1.00 0.00 C ATOM 1091 O GLN A 81 17.069 -1.533 1.860 1.00 0.00 O ATOM 1092 CB GLN A 81 17.006 -4.272 3.655 1.00 0.00 C ATOM 1093 CG GLN A 81 17.373 -5.650 3.127 1.00 0.00 C ATOM 1094 CD GLN A 81 18.276 -5.597 1.912 1.00 0.00 C ATOM 1095 OE1 GLN A 81 18.001 -6.229 0.892 1.00 0.00 O ATOM 1096 NE2 GLN A 81 19.364 -4.841 2.011 1.00 0.00 N ATOM 0 H GLN A 81 15.165 -5.368 2.368 1.00 0.00 H new ATOM 0 HA GLN A 81 15.488 -2.784 3.408 1.00 0.00 H new ATOM 0 HB2 GLN A 81 17.918 -3.685 3.766 1.00 0.00 H new ATOM 0 HB3 GLN A 81 16.575 -4.381 4.650 1.00 0.00 H new ATOM 0 HG2 GLN A 81 17.868 -6.215 3.916 1.00 0.00 H new ATOM 0 HG3 GLN A 81 16.461 -6.190 2.872 1.00 0.00 H new ATOM 0 HE21 GLN A 81 19.555 -4.333 2.875 1.00 0.00 H new ATOM 0 HE22 GLN A 81 20.008 -4.768 1.223 1.00 0.00 H new ATOM 1105 N GLU A 82 17.067 -3.392 0.590 1.00 0.00 N ATOM 1106 CA GLU A 82 17.761 -2.762 -0.520 1.00 0.00 C ATOM 1107 C GLU A 82 16.836 -1.765 -1.190 1.00 0.00 C ATOM 1108 O GLU A 82 17.247 -0.672 -1.576 1.00 0.00 O ATOM 1109 CB GLU A 82 18.228 -3.816 -1.529 1.00 0.00 C ATOM 1110 CG GLU A 82 19.717 -4.112 -1.454 1.00 0.00 C ATOM 1111 CD GLU A 82 20.472 -3.611 -2.672 1.00 0.00 C ATOM 1112 OE1 GLU A 82 20.365 -2.408 -2.985 1.00 0.00 O ATOM 1113 OE2 GLU A 82 21.172 -4.425 -3.312 1.00 0.00 O ATOM 0 H GLU A 82 16.832 -4.373 0.440 1.00 0.00 H new ATOM 0 HA GLU A 82 18.641 -2.241 -0.142 1.00 0.00 H new ATOM 0 HB2 GLU A 82 17.674 -4.739 -1.360 1.00 0.00 H new ATOM 0 HB3 GLU A 82 17.984 -3.477 -2.536 1.00 0.00 H new ATOM 0 HG2 GLU A 82 20.131 -3.649 -0.558 1.00 0.00 H new ATOM 0 HG3 GLU A 82 19.866 -5.187 -1.355 1.00 0.00 H new ATOM 1120 N ALA A 83 15.576 -2.161 -1.310 1.00 0.00 N ATOM 1121 CA ALA A 83 14.565 -1.319 -1.917 1.00 0.00 C ATOM 1122 C ALA A 83 14.248 -0.124 -1.027 1.00 0.00 C ATOM 1123 O ALA A 83 13.900 0.952 -1.511 1.00 0.00 O ATOM 1124 CB ALA A 83 13.308 -2.129 -2.191 1.00 0.00 C ATOM 0 H ALA A 83 15.232 -3.067 -0.991 1.00 0.00 H new ATOM 0 HA ALA A 83 14.953 -0.940 -2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.554 -1.488 -2.647 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.544 -2.950 -2.868 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.923 -2.532 -1.254 1.00 0.00 H new ATOM 1130 N MET A 84 14.373 -0.326 0.281 1.00 0.00 N ATOM 1131 CA MET A 84 14.101 0.729 1.245 1.00 0.00 C ATOM 1132 C MET A 84 15.203 1.779 1.220 1.00 0.00 C ATOM 1133 O MET A 84 14.947 2.963 1.425 1.00 0.00 O ATOM 1134 CB MET A 84 13.961 0.151 2.649 1.00 0.00 C ATOM 1135 CG MET A 84 12.999 0.936 3.525 1.00 0.00 C ATOM 1136 SD MET A 84 11.718 -0.092 4.268 1.00 0.00 S ATOM 1137 CE MET A 84 12.654 -1.565 4.664 1.00 0.00 C ATOM 0 H MET A 84 14.661 -1.212 0.696 1.00 0.00 H new ATOM 0 HA MET A 84 13.161 1.205 0.967 1.00 0.00 H new ATOM 0 HB2 MET A 84 13.618 -0.881 2.578 1.00 0.00 H new ATOM 0 HB3 MET A 84 14.941 0.129 3.126 1.00 0.00 H new ATOM 0 HG2 MET A 84 13.561 1.434 4.315 1.00 0.00 H new ATOM 0 HG3 MET A 84 12.528 1.717 2.928 1.00 0.00 H new ATOM 0 HE1 MET A 84 12.181 -2.084 5.498 1.00 0.00 H new ATOM 0 HE2 MET A 84 12.681 -2.223 3.796 1.00 0.00 H new ATOM 0 HE3 MET A 84 13.671 -1.287 4.940 1.00 0.00 H new ATOM 1147 N GLU A 85 16.429 1.339 0.955 1.00 0.00 N ATOM 1148 CA GLU A 85 17.561 2.256 0.887 1.00 0.00 C ATOM 1149 C GLU A 85 17.550 2.991 -0.449 1.00 0.00 C ATOM 1150 O GLU A 85 17.992 4.135 -0.549 1.00 0.00 O ATOM 1151 CB GLU A 85 18.882 1.496 1.079 1.00 0.00 C ATOM 1152 CG GLU A 85 19.563 1.086 -0.220 1.00 0.00 C ATOM 1153 CD GLU A 85 20.416 -0.158 -0.065 1.00 0.00 C ATOM 1154 OE1 GLU A 85 20.177 -0.926 0.891 1.00 0.00 O ATOM 1155 OE2 GLU A 85 21.324 -0.364 -0.898 1.00 0.00 O ATOM 0 H GLU A 85 16.663 0.361 0.785 1.00 0.00 H new ATOM 0 HA GLU A 85 17.474 2.988 1.690 1.00 0.00 H new ATOM 0 HB2 GLU A 85 19.567 2.120 1.653 1.00 0.00 H new ATOM 0 HB3 GLU A 85 18.691 0.602 1.673 1.00 0.00 H new ATOM 0 HG2 GLU A 85 18.805 0.909 -0.983 1.00 0.00 H new ATOM 0 HG3 GLU A 85 20.186 1.907 -0.574 1.00 0.00 H new ATOM 1162 N THR A 86 17.030 2.316 -1.470 1.00 0.00 N ATOM 1163 CA THR A 86 16.944 2.885 -2.805 1.00 0.00 C ATOM 1164 C THR A 86 15.893 3.992 -2.844 1.00 0.00 C ATOM 1165 O THR A 86 16.067 5.001 -3.526 1.00 0.00 O ATOM 1166 CB THR A 86 16.609 1.780 -3.818 1.00 0.00 C ATOM 1167 OG1 THR A 86 17.782 1.085 -4.201 1.00 0.00 O ATOM 1168 CG2 THR A 86 15.944 2.283 -5.084 1.00 0.00 C ATOM 0 H THR A 86 16.660 1.368 -1.394 1.00 0.00 H new ATOM 0 HA THR A 86 17.906 3.323 -3.070 1.00 0.00 H new ATOM 0 HB THR A 86 15.904 1.130 -3.300 1.00 0.00 H new ATOM 0 HG1 THR A 86 17.960 0.365 -3.560 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.740 1.442 -5.747 1.00 0.00 H new ATOM 0 HG22 THR A 86 15.008 2.780 -4.830 1.00 0.00 H new ATOM 0 HG23 THR A 86 16.605 2.989 -5.586 1.00 0.00 H new ATOM 1176 N LEU A 87 14.812 3.805 -2.092 1.00 0.00 N ATOM 1177 CA LEU A 87 13.751 4.800 -2.029 1.00 0.00 C ATOM 1178 C LEU A 87 14.171 5.930 -1.106 1.00 0.00 C ATOM 1179 O LEU A 87 13.852 7.096 -1.334 1.00 0.00 O ATOM 1180 CB LEU A 87 12.438 4.172 -1.546 1.00 0.00 C ATOM 1181 CG LEU A 87 12.488 3.520 -0.163 1.00 0.00 C ATOM 1182 CD1 LEU A 87 12.463 4.576 0.934 1.00 0.00 C ATOM 1183 CD2 LEU A 87 11.327 2.551 0.004 1.00 0.00 C ATOM 0 H LEU A 87 14.650 2.976 -1.520 1.00 0.00 H new ATOM 0 HA LEU A 87 13.581 5.197 -3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.668 4.944 -1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.127 3.420 -2.272 1.00 0.00 H new ATOM 0 HG LEU A 87 13.422 2.965 -0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.499 4.089 1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.325 5.234 0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.547 5.161 0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.374 2.094 0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.385 3.090 -0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.389 1.774 -0.758 1.00 0.00 H new ATOM 1195 N ARG A 88 14.906 5.561 -0.065 1.00 0.00 N ATOM 1196 CA ARG A 88 15.405 6.513 0.911 1.00 0.00 C ATOM 1197 C ARG A 88 16.349 7.504 0.246 1.00 0.00 C ATOM 1198 O ARG A 88 16.194 8.718 0.379 1.00 0.00 O ATOM 1199 CB ARG A 88 16.130 5.764 2.028 1.00 0.00 C ATOM 1200 CG ARG A 88 15.530 5.992 3.403 1.00 0.00 C ATOM 1201 CD ARG A 88 16.428 5.448 4.502 1.00 0.00 C ATOM 1202 NE ARG A 88 17.370 6.452 4.991 1.00 0.00 N ATOM 1203 CZ ARG A 88 17.051 7.400 5.872 1.00 0.00 C ATOM 1204 NH1 ARG A 88 15.820 7.477 6.359 1.00 0.00 N ATOM 1205 NH2 ARG A 88 17.969 8.274 6.265 1.00 0.00 N ATOM 0 H ARG A 88 15.171 4.594 0.124 1.00 0.00 H new ATOM 0 HA ARG A 88 14.566 7.066 1.333 1.00 0.00 H new ATOM 0 HB2 ARG A 88 16.115 4.697 1.807 1.00 0.00 H new ATOM 0 HB3 ARG A 88 17.175 6.072 2.042 1.00 0.00 H new ATOM 0 HG2 ARG A 88 15.369 7.059 3.558 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.553 5.511 3.459 1.00 0.00 H new ATOM 0 HD2 ARG A 88 15.813 5.095 5.330 1.00 0.00 H new ATOM 0 HD3 ARG A 88 16.980 4.587 4.125 1.00 0.00 H new ATOM 0 HE ARG A 88 18.327 6.426 4.638 1.00 0.00 H new ATOM 0 HH11 ARG A 88 15.110 6.808 6.060 1.00 0.00 H new ATOM 0 HH12 ARG A 88 15.583 8.205 7.033 1.00 0.00 H new ATOM 0 HH21 ARG A 88 18.917 8.220 5.893 1.00 0.00 H new ATOM 0 HH22 ARG A 88 17.726 9.000 6.939 1.00 0.00 H new ATOM 1219 N ARG A 89 17.327 6.972 -0.478 1.00 0.00 N ATOM 1220 CA ARG A 89 18.298 7.798 -1.177 1.00 0.00 C ATOM 1221 C ARG A 89 17.642 8.480 -2.374 1.00 0.00 C ATOM 1222 O ARG A 89 17.962 9.618 -2.707 1.00 0.00 O ATOM 1223 CB ARG A 89 19.502 6.940 -1.606 1.00 0.00 C ATOM 1224 CG ARG A 89 19.665 6.756 -3.111 1.00 0.00 C ATOM 1225 CD ARG A 89 18.719 5.693 -3.648 1.00 0.00 C ATOM 1226 NE ARG A 89 19.428 4.656 -4.393 1.00 0.00 N ATOM 1227 CZ ARG A 89 19.829 4.791 -5.656 1.00 0.00 C ATOM 1228 NH1 ARG A 89 19.595 5.919 -6.316 1.00 0.00 N ATOM 1229 NH2 ARG A 89 20.468 3.797 -6.258 1.00 0.00 N ATOM 0 H ARG A 89 17.467 5.968 -0.595 1.00 0.00 H new ATOM 0 HA ARG A 89 18.661 8.578 -0.508 1.00 0.00 H new ATOM 0 HB2 ARG A 89 20.411 7.394 -1.211 1.00 0.00 H new ATOM 0 HB3 ARG A 89 19.410 5.957 -1.144 1.00 0.00 H new ATOM 0 HG2 ARG A 89 19.475 7.703 -3.617 1.00 0.00 H new ATOM 0 HG3 ARG A 89 20.694 6.475 -3.335 1.00 0.00 H new ATOM 0 HD2 ARG A 89 18.177 5.238 -2.819 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.977 6.161 -4.295 1.00 0.00 H new ATOM 0 HE ARG A 89 19.628 3.776 -3.918 1.00 0.00 H new ATOM 0 HH11 ARG A 89 19.106 6.687 -5.856 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.904 6.018 -7.283 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.652 2.930 -5.754 1.00 0.00 H new ATOM 0 HH22 ARG A 89 20.775 3.900 -7.225 1.00 0.00 H new ATOM 1243 N SER A 90 16.717 7.775 -3.013 1.00 0.00 N ATOM 1244 CA SER A 90 16.015 8.315 -4.171 1.00 0.00 C ATOM 1245 C SER A 90 15.117 9.480 -3.769 1.00 0.00 C ATOM 1246 O SER A 90 14.958 10.438 -4.522 1.00 0.00 O ATOM 1247 CB SER A 90 15.182 7.224 -4.844 1.00 0.00 C ATOM 1248 OG SER A 90 16.000 6.349 -5.601 1.00 0.00 O ATOM 0 H SER A 90 16.436 6.830 -2.750 1.00 0.00 H new ATOM 0 HA SER A 90 16.761 8.681 -4.877 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.641 6.656 -4.087 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.435 7.681 -5.493 1.00 0.00 H new ATOM 0 HG SER A 90 16.018 5.467 -5.174 1.00 0.00 H new ATOM 1254 N MET A 91 14.527 9.390 -2.582 1.00 0.00 N ATOM 1255 CA MET A 91 13.635 10.436 -2.090 1.00 0.00 C ATOM 1256 C MET A 91 14.406 11.577 -1.430 1.00 0.00 C ATOM 1257 O MET A 91 13.940 12.715 -1.402 1.00 0.00 O ATOM 1258 CB MET A 91 12.628 9.847 -1.100 1.00 0.00 C ATOM 1259 CG MET A 91 13.222 9.497 0.259 1.00 0.00 C ATOM 1260 SD MET A 91 11.990 8.868 1.417 1.00 0.00 S ATOM 1261 CE MET A 91 10.840 8.069 0.301 1.00 0.00 C ATOM 0 H MET A 91 14.650 8.605 -1.943 1.00 0.00 H new ATOM 0 HA MET A 91 13.105 10.846 -2.950 1.00 0.00 H new ATOM 0 HB2 MET A 91 11.816 10.560 -0.957 1.00 0.00 H new ATOM 0 HB3 MET A 91 12.190 8.949 -1.535 1.00 0.00 H new ATOM 0 HG2 MET A 91 14.005 8.750 0.127 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.694 10.383 0.683 1.00 0.00 H new ATOM 0 HE1 MET A 91 10.040 7.602 0.876 1.00 0.00 H new ATOM 0 HE2 MET A 91 10.415 8.810 -0.376 1.00 0.00 H new ATOM 0 HE3 MET A 91 11.364 7.308 -0.277 1.00 0.00 H new ATOM 1271 N SER A 92 15.574 11.265 -0.881 1.00 0.00 N ATOM 1272 CA SER A 92 16.387 12.271 -0.202 1.00 0.00 C ATOM 1273 C SER A 92 17.633 12.645 -1.004 1.00 0.00 C ATOM 1274 O SER A 92 18.619 13.117 -0.438 1.00 0.00 O ATOM 1275 CB SER A 92 16.800 11.764 1.181 1.00 0.00 C ATOM 1276 OG SER A 92 16.694 12.790 2.153 1.00 0.00 O ATOM 0 H SER A 92 15.979 10.329 -0.891 1.00 0.00 H new ATOM 0 HA SER A 92 15.775 13.168 -0.103 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.169 10.922 1.466 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.826 11.397 1.146 1.00 0.00 H new ATOM 0 HG SER A 92 16.962 12.440 3.028 1.00 0.00 H new ATOM 1282 N THR A 93 17.596 12.439 -2.317 1.00 0.00 N ATOM 1283 CA THR A 93 18.741 12.769 -3.158 1.00 0.00 C ATOM 1284 C THR A 93 18.333 13.037 -4.608 1.00 0.00 C ATOM 1285 O THR A 93 18.966 13.838 -5.295 1.00 0.00 O ATOM 1286 CB THR A 93 19.779 11.643 -3.087 1.00 0.00 C ATOM 1287 OG1 THR A 93 21.066 12.163 -2.808 1.00 0.00 O ATOM 1288 CG2 THR A 93 19.889 10.809 -4.350 1.00 0.00 C ATOM 0 H THR A 93 16.796 12.050 -2.817 1.00 0.00 H new ATOM 0 HA THR A 93 19.181 13.691 -2.777 1.00 0.00 H new ATOM 0 HB THR A 93 19.422 10.995 -2.287 1.00 0.00 H new ATOM 0 HG1 THR A 93 21.713 11.428 -2.765 1.00 0.00 H new ATOM 0 HG21 THR A 93 20.646 10.037 -4.211 1.00 0.00 H new ATOM 0 HG22 THR A 93 18.928 10.341 -4.562 1.00 0.00 H new ATOM 0 HG23 THR A 93 20.173 11.449 -5.185 1.00 0.00 H new ATOM 1296 N GLU A 94 17.292 12.357 -5.073 1.00 0.00 N ATOM 1297 CA GLU A 94 16.828 12.527 -6.446 1.00 0.00 C ATOM 1298 C GLU A 94 15.451 13.179 -6.494 1.00 0.00 C ATOM 1299 O GLU A 94 15.298 14.296 -6.983 1.00 0.00 O ATOM 1300 CB GLU A 94 16.796 11.177 -7.160 1.00 0.00 C ATOM 1301 CG GLU A 94 18.059 10.358 -6.955 1.00 0.00 C ATOM 1302 CD GLU A 94 18.417 9.522 -8.168 1.00 0.00 C ATOM 1303 OE1 GLU A 94 18.049 9.920 -9.292 1.00 0.00 O ATOM 1304 OE2 GLU A 94 19.067 8.470 -7.992 1.00 0.00 O ATOM 0 H GLU A 94 16.755 11.686 -4.524 1.00 0.00 H new ATOM 0 HA GLU A 94 17.528 13.188 -6.956 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.939 10.606 -6.803 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.647 11.342 -8.227 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.887 11.027 -6.723 1.00 0.00 H new ATOM 0 HG3 GLU A 94 17.927 9.703 -6.094 1.00 0.00 H new ATOM 1311 N GLY A 95 14.452 12.474 -5.984 1.00 0.00 N ATOM 1312 CA GLY A 95 13.098 12.998 -5.981 1.00 0.00 C ATOM 1313 C GLY A 95 13.004 14.364 -5.330 1.00 0.00 C ATOM 1314 O GLY A 95 12.125 15.159 -5.660 1.00 0.00 O ATOM 0 H GLY A 95 14.553 11.547 -5.571 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.735 13.062 -7.007 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.444 12.303 -5.454 1.00 0.00 H new ATOM 1318 N ASN A 96 13.916 14.635 -4.404 1.00 0.00 N ATOM 1319 CA ASN A 96 13.939 15.910 -3.703 1.00 0.00 C ATOM 1320 C ASN A 96 14.543 17.001 -4.590 1.00 0.00 C ATOM 1321 O ASN A 96 14.149 18.165 -4.511 1.00 0.00 O ATOM 1322 CB ASN A 96 14.723 15.765 -2.390 1.00 0.00 C ATOM 1323 CG ASN A 96 15.365 17.060 -1.927 1.00 0.00 C ATOM 1324 OD1 ASN A 96 16.519 17.076 -1.498 1.00 0.00 O ATOM 1325 ND2 ASN A 96 14.619 18.152 -2.013 1.00 0.00 N ATOM 0 H ASN A 96 14.651 13.986 -4.122 1.00 0.00 H new ATOM 0 HA ASN A 96 12.917 16.206 -3.466 1.00 0.00 H new ATOM 0 HB2 ASN A 96 14.051 15.402 -1.612 1.00 0.00 H new ATOM 0 HB3 ASN A 96 15.498 15.010 -2.519 1.00 0.00 H new ATOM 0 HD21 ASN A 96 14.997 19.052 -1.717 1.00 0.00 H new ATOM 0 HD22 ASN A 96 13.667 18.092 -2.375 1.00 0.00 H new ATOM 1332 N LYS A 97 15.496 16.613 -5.436 1.00 0.00 N ATOM 1333 CA LYS A 97 16.158 17.550 -6.343 1.00 0.00 C ATOM 1334 C LYS A 97 15.164 18.527 -6.961 1.00 0.00 C ATOM 1335 O LYS A 97 15.446 19.717 -7.097 1.00 0.00 O ATOM 1336 CB LYS A 97 16.896 16.794 -7.434 1.00 0.00 C ATOM 1337 CG LYS A 97 18.171 16.161 -6.927 1.00 0.00 C ATOM 1338 CD LYS A 97 18.841 15.340 -8.002 1.00 0.00 C ATOM 1339 CE LYS A 97 19.248 16.204 -9.181 1.00 0.00 C ATOM 1340 NZ LYS A 97 20.420 15.638 -9.907 1.00 0.00 N ATOM 0 H LYS A 97 15.828 15.652 -5.512 1.00 0.00 H new ATOM 0 HA LYS A 97 16.875 18.127 -5.759 1.00 0.00 H new ATOM 0 HB2 LYS A 97 16.245 16.020 -7.842 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.131 17.476 -8.251 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.853 16.938 -6.582 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.949 15.528 -6.068 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.721 14.845 -7.590 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.163 14.556 -8.340 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.407 16.300 -9.868 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.489 17.207 -8.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 20.666 16.258 -10.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 21.230 15.570 -9.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 20.182 14.691 -10.265 1.00 0.00 H new ATOM 1354 N ARG A 98 13.993 18.013 -7.317 1.00 0.00 N ATOM 1355 CA ARG A 98 12.941 18.837 -7.900 1.00 0.00 C ATOM 1356 C ARG A 98 11.937 19.244 -6.828 1.00 0.00 C ATOM 1357 O ARG A 98 11.261 20.265 -6.949 1.00 0.00 O ATOM 1358 CB ARG A 98 12.217 18.105 -9.043 1.00 0.00 C ATOM 1359 CG ARG A 98 12.780 16.729 -9.370 1.00 0.00 C ATOM 1360 CD ARG A 98 12.189 15.656 -8.473 1.00 0.00 C ATOM 1361 NE ARG A 98 11.216 14.828 -9.181 1.00 0.00 N ATOM 1362 CZ ARG A 98 11.545 13.854 -10.024 1.00 0.00 C ATOM 1363 NH1 ARG A 98 12.821 13.580 -10.267 1.00 0.00 N ATOM 1364 NH2 ARG A 98 10.597 13.149 -10.628 1.00 0.00 N ATOM 0 H ARG A 98 13.748 17.029 -7.212 1.00 0.00 H new ATOM 0 HA ARG A 98 13.411 19.729 -8.315 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.164 18.000 -8.780 1.00 0.00 H new ATOM 0 HB3 ARG A 98 12.261 18.724 -9.939 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.571 16.488 -10.412 1.00 0.00 H new ATOM 0 HG3 ARG A 98 13.864 16.742 -9.257 1.00 0.00 H new ATOM 0 HD2 ARG A 98 12.989 15.025 -8.086 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.709 16.125 -7.614 1.00 0.00 H new ATOM 0 HE ARG A 98 10.225 15.008 -9.019 1.00 0.00 H new ATOM 0 HH11 ARG A 98 13.555 14.118 -9.806 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.068 12.832 -10.915 1.00 0.00 H new ATOM 0 HH21 ARG A 98 9.615 13.354 -10.446 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.851 12.402 -11.275 1.00 0.00 H new ATOM 1378 N GLY A 99 11.849 18.435 -5.775 1.00 0.00 N ATOM 1379 CA GLY A 99 10.931 18.723 -4.692 1.00 0.00 C ATOM 1380 C GLY A 99 9.867 17.655 -4.524 1.00 0.00 C ATOM 1381 O GLY A 99 8.995 17.781 -3.665 1.00 0.00 O ATOM 0 H GLY A 99 12.399 17.584 -5.655 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.492 18.820 -3.762 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.449 19.683 -4.876 1.00 0.00 H new ATOM 1385 N MET A 100 9.928 16.605 -5.345 1.00 0.00 N ATOM 1386 CA MET A 100 8.948 15.529 -5.272 1.00 0.00 C ATOM 1387 C MET A 100 9.477 14.236 -5.888 1.00 0.00 C ATOM 1388 O MET A 100 10.170 14.254 -6.904 1.00 0.00 O ATOM 1389 CB MET A 100 7.669 15.947 -5.991 1.00 0.00 C ATOM 1390 CG MET A 100 7.853 16.119 -7.490 1.00 0.00 C ATOM 1391 SD MET A 100 6.734 15.090 -8.456 1.00 0.00 S ATOM 1392 CE MET A 100 7.552 13.502 -8.335 1.00 0.00 C ATOM 0 H MET A 100 10.642 16.480 -6.062 1.00 0.00 H new ATOM 0 HA MET A 100 8.742 15.340 -4.218 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.897 15.199 -5.810 1.00 0.00 H new ATOM 0 HB3 MET A 100 7.311 16.884 -5.566 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.695 17.165 -7.753 1.00 0.00 H new ATOM 0 HG3 MET A 100 8.882 15.876 -7.755 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.084 12.798 -9.023 1.00 0.00 H new ATOM 0 HE2 MET A 100 8.605 13.615 -8.592 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.465 13.125 -7.316 1.00 0.00 H new ATOM 1402 N ILE A 101 9.133 13.115 -5.264 1.00 0.00 N ATOM 1403 CA ILE A 101 9.553 11.806 -5.740 1.00 0.00 C ATOM 1404 C ILE A 101 8.346 10.979 -6.171 1.00 0.00 C ATOM 1405 O ILE A 101 7.333 10.937 -5.473 1.00 0.00 O ATOM 1406 CB ILE A 101 10.350 11.037 -4.653 1.00 0.00 C ATOM 1407 CG1 ILE A 101 9.730 9.665 -4.363 1.00 0.00 C ATOM 1408 CG2 ILE A 101 10.448 11.850 -3.371 1.00 0.00 C ATOM 1409 CD1 ILE A 101 10.476 8.879 -3.309 1.00 0.00 C ATOM 0 H ILE A 101 8.560 13.089 -4.421 1.00 0.00 H new ATOM 0 HA ILE A 101 10.206 11.965 -6.598 1.00 0.00 H new ATOM 0 HB ILE A 101 11.355 10.878 -5.043 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.698 9.802 -4.041 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.702 9.085 -5.286 1.00 0.00 H new ATOM 0 HG21 ILE A 101 11.011 11.288 -2.626 1.00 0.00 H new ATOM 0 HG22 ILE A 101 10.956 12.792 -3.576 1.00 0.00 H new ATOM 0 HG23 ILE A 101 9.447 12.053 -2.991 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.983 7.919 -3.154 1.00 0.00 H new ATOM 0 HD12 ILE A 101 11.501 8.711 -3.638 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.482 9.439 -2.374 1.00 0.00 H new ATOM 1421 N GLN A 102 8.462 10.305 -7.310 1.00 0.00 N ATOM 1422 CA GLN A 102 7.375 9.466 -7.798 1.00 0.00 C ATOM 1423 C GLN A 102 7.341 8.165 -7.001 1.00 0.00 C ATOM 1424 O GLN A 102 8.389 7.618 -6.656 1.00 0.00 O ATOM 1425 CB GLN A 102 7.535 9.187 -9.299 1.00 0.00 C ATOM 1426 CG GLN A 102 8.458 8.020 -9.621 1.00 0.00 C ATOM 1427 CD GLN A 102 7.745 6.683 -9.575 1.00 0.00 C ATOM 1428 OE1 GLN A 102 6.755 6.471 -10.273 1.00 0.00 O ATOM 1429 NE2 GLN A 102 8.248 5.774 -8.747 1.00 0.00 N ATOM 0 H GLN A 102 9.289 10.323 -7.907 1.00 0.00 H new ATOM 0 HA GLN A 102 6.429 9.990 -7.660 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.553 8.988 -9.727 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.918 10.084 -9.785 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.888 8.164 -10.612 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.286 8.010 -8.913 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.072 5.994 -8.187 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.811 4.856 -8.671 1.00 0.00 H new ATOM 1438 N LEU A 103 6.144 7.684 -6.689 1.00 0.00 N ATOM 1439 CA LEU A 103 6.010 6.462 -5.906 1.00 0.00 C ATOM 1440 C LEU A 103 4.967 5.516 -6.482 1.00 0.00 C ATOM 1441 O LEU A 103 3.770 5.796 -6.441 1.00 0.00 O ATOM 1442 CB LEU A 103 5.637 6.807 -4.467 1.00 0.00 C ATOM 1443 CG LEU A 103 6.815 7.169 -3.562 1.00 0.00 C ATOM 1444 CD1 LEU A 103 6.658 8.578 -3.019 1.00 0.00 C ATOM 1445 CD2 LEU A 103 6.941 6.163 -2.428 1.00 0.00 C ATOM 0 H LEU A 103 5.261 8.116 -6.962 1.00 0.00 H new ATOM 0 HA LEU A 103 6.973 5.953 -5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.938 7.643 -4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.111 5.958 -4.031 1.00 0.00 H new ATOM 0 HG LEU A 103 7.730 7.134 -4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 103 7.506 8.817 -2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.619 9.285 -3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.736 8.645 -2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.784 6.435 -1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.025 6.165 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.104 5.168 -2.841 1.00 0.00 H new ATOM 1457 N ILE A 104 5.424 4.375 -6.982 1.00 0.00 N ATOM 1458 CA ILE A 104 4.523 3.371 -7.523 1.00 0.00 C ATOM 1459 C ILE A 104 4.273 2.299 -6.472 1.00 0.00 C ATOM 1460 O ILE A 104 5.182 1.559 -6.100 1.00 0.00 O ATOM 1461 CB ILE A 104 5.095 2.717 -8.797 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.454 3.789 -9.828 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.099 1.726 -9.380 1.00 0.00 C ATOM 1464 CD1 ILE A 104 6.376 3.292 -10.919 1.00 0.00 C ATOM 0 H ILE A 104 6.412 4.124 -7.023 1.00 0.00 H new ATOM 0 HA ILE A 104 3.589 3.866 -7.790 1.00 0.00 H new ATOM 0 HB ILE A 104 6.002 2.174 -8.532 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.538 4.167 -10.282 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.927 4.628 -9.318 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.519 1.274 -10.279 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.888 0.948 -8.647 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.175 2.245 -9.633 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.588 4.104 -11.614 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.308 2.941 -10.476 1.00 0.00 H new ATOM 0 HD13 ILE A 104 5.897 2.472 -11.454 1.00 0.00 H new ATOM 1476 N VAL A 105 3.040 2.230 -5.980 1.00 0.00 N ATOM 1477 CA VAL A 105 2.687 1.260 -4.953 1.00 0.00 C ATOM 1478 C VAL A 105 1.504 0.397 -5.383 1.00 0.00 C ATOM 1479 O VAL A 105 0.574 0.875 -6.032 1.00 0.00 O ATOM 1480 CB VAL A 105 2.343 1.958 -3.621 1.00 0.00 C ATOM 1481 CG1 VAL A 105 3.547 2.721 -3.086 1.00 0.00 C ATOM 1482 CG2 VAL A 105 1.151 2.889 -3.793 1.00 0.00 C ATOM 0 H VAL A 105 2.272 2.833 -6.276 1.00 0.00 H new ATOM 0 HA VAL A 105 3.559 0.622 -4.810 1.00 0.00 H new ATOM 0 HB VAL A 105 2.075 1.191 -2.895 1.00 0.00 H new ATOM 0 HG11 VAL A 105 3.282 3.206 -2.146 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.371 2.028 -2.917 1.00 0.00 H new ATOM 0 HG13 VAL A 105 3.850 3.476 -3.811 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.925 3.371 -2.842 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.387 3.649 -4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.285 2.315 -4.123 1.00 0.00 H new ATOM 1492 N ALA A 106 1.546 -0.878 -5.009 1.00 0.00 N ATOM 1493 CA ALA A 106 0.480 -1.812 -5.344 1.00 0.00 C ATOM 1494 C ALA A 106 -0.295 -2.217 -4.095 1.00 0.00 C ATOM 1495 O ALA A 106 0.285 -2.690 -3.120 1.00 0.00 O ATOM 1496 CB ALA A 106 1.053 -3.042 -6.035 1.00 0.00 C ATOM 0 H ALA A 106 2.310 -1.288 -4.472 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.209 -1.316 -6.028 1.00 0.00 H new ATOM 0 HB1 ALA A 106 0.245 -3.731 -6.280 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.563 -2.741 -6.950 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.762 -3.535 -5.370 1.00 0.00 H new ATOM 1502 N ARG A 107 -1.608 -2.020 -4.132 1.00 0.00 N ATOM 1503 CA ARG A 107 -2.461 -2.359 -3.000 1.00 0.00 C ATOM 1504 C ARG A 107 -3.404 -3.507 -3.349 1.00 0.00 C ATOM 1505 O ARG A 107 -3.849 -3.634 -4.489 1.00 0.00 O ATOM 1506 CB ARG A 107 -3.265 -1.132 -2.562 1.00 0.00 C ATOM 1507 CG ARG A 107 -4.220 -1.403 -1.407 1.00 0.00 C ATOM 1508 CD ARG A 107 -5.669 -1.163 -1.805 1.00 0.00 C ATOM 1509 NE ARG A 107 -6.364 -0.305 -0.848 1.00 0.00 N ATOM 1510 CZ ARG A 107 -7.500 0.334 -1.113 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -8.072 0.217 -2.305 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -8.066 1.092 -0.186 1.00 0.00 N ATOM 0 H ARG A 107 -2.104 -1.628 -4.932 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.823 -2.681 -2.177 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -2.574 -0.341 -2.272 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -3.835 -0.760 -3.413 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -4.101 -2.433 -1.071 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -3.963 -0.761 -0.564 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -5.702 -0.705 -2.794 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.188 -2.119 -1.879 1.00 0.00 H new ATOM 0 HE ARG A 107 -5.953 -0.189 0.079 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -7.640 -0.365 -3.023 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.943 0.709 -2.503 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.631 1.186 0.732 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.937 1.582 -0.390 1.00 0.00 H new ATOM 1526 N ARG A 108 -3.704 -4.339 -2.357 1.00 0.00 N ATOM 1527 CA ARG A 108 -4.595 -5.476 -2.556 1.00 0.00 C ATOM 1528 C ARG A 108 -6.045 -5.012 -2.673 1.00 0.00 C ATOM 1529 O ARG A 108 -6.558 -4.321 -1.795 1.00 0.00 O ATOM 1530 CB ARG A 108 -4.455 -6.469 -1.398 1.00 0.00 C ATOM 1531 CG ARG A 108 -3.714 -7.743 -1.775 1.00 0.00 C ATOM 1532 CD ARG A 108 -2.340 -7.441 -2.350 1.00 0.00 C ATOM 1533 NE ARG A 108 -1.370 -7.109 -1.308 1.00 0.00 N ATOM 1534 CZ ARG A 108 -0.751 -8.017 -0.556 1.00 0.00 C ATOM 1535 NH1 ARG A 108 -0.999 -9.310 -0.725 1.00 0.00 N ATOM 1536 NH2 ARG A 108 0.117 -7.630 0.367 1.00 0.00 N ATOM 0 H ARG A 108 -3.343 -4.247 -1.407 1.00 0.00 H new ATOM 0 HA ARG A 108 -4.314 -5.972 -3.485 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -3.930 -5.983 -0.575 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.448 -6.731 -1.033 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -3.609 -8.378 -0.895 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.299 -8.303 -2.504 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -1.985 -8.304 -2.913 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.416 -6.611 -3.052 1.00 0.00 H new ATOM 0 HE ARG A 108 -1.155 -6.125 -1.148 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -1.667 -9.613 -1.434 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -0.522 -10.001 -0.146 1.00 0.00 H new ATOM 0 HH21 ARG A 108 0.310 -6.638 0.501 1.00 0.00 H new ATOM 0 HH22 ARG A 108 0.592 -8.325 0.944 1.00 0.00 H new ATOM 1550 N ILE A 109 -6.696 -5.393 -3.767 1.00 0.00 N ATOM 1551 CA ILE A 109 -8.084 -5.013 -4.000 1.00 0.00 C ATOM 1552 C ILE A 109 -9.021 -5.718 -3.024 1.00 0.00 C ATOM 1553 O ILE A 109 -10.049 -5.168 -2.629 1.00 0.00 O ATOM 1554 CB ILE A 109 -8.524 -5.338 -5.441 1.00 0.00 C ATOM 1555 CG1 ILE A 109 -7.522 -4.766 -6.445 1.00 0.00 C ATOM 1556 CG2 ILE A 109 -9.918 -4.788 -5.707 1.00 0.00 C ATOM 1557 CD1 ILE A 109 -7.808 -5.168 -7.876 1.00 0.00 C ATOM 0 H ILE A 109 -6.285 -5.964 -4.505 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.145 -3.936 -3.844 1.00 0.00 H new ATOM 0 HB ILE A 109 -8.552 -6.421 -5.560 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -7.528 -3.678 -6.373 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -6.519 -5.098 -6.176 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.214 -5.026 -6.729 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -10.626 -5.237 -5.010 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.914 -3.706 -5.573 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.059 -4.728 -8.534 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -7.774 -6.254 -7.963 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -8.798 -4.812 -8.163 1.00 0.00 H new ATOM 1569 N SER A 110 -8.661 -6.939 -2.641 1.00 0.00 N ATOM 1570 CA SER A 110 -9.472 -7.719 -1.714 1.00 0.00 C ATOM 1571 C SER A 110 -10.884 -7.914 -2.260 1.00 0.00 C ATOM 1572 O SER A 110 -11.868 -7.767 -1.534 1.00 0.00 O ATOM 1573 CB SER A 110 -9.529 -7.032 -0.348 1.00 0.00 C ATOM 1574 OG SER A 110 -10.201 -7.838 0.603 1.00 0.00 O ATOM 0 H SER A 110 -7.813 -7.409 -2.958 1.00 0.00 H new ATOM 0 HA SER A 110 -9.008 -8.698 -1.599 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.517 -6.822 -0.001 1.00 0.00 H new ATOM 0 HB3 SER A 110 -10.039 -6.073 -0.441 1.00 0.00 H new ATOM 0 HG SER A 110 -11.114 -8.016 0.294 1.00 0.00 H new TER 1580 SER A 110 ATOM 1581 N ASP B 3 2.896 -11.373 6.807 1.00 0.00 N ATOM 1582 CA ASP B 3 3.553 -12.645 7.089 1.00 0.00 C ATOM 1583 C ASP B 3 5.021 -12.431 7.446 1.00 0.00 C ATOM 1584 O ASP B 3 5.918 -12.905 6.747 1.00 0.00 O ATOM 1585 CB ASP B 3 3.437 -13.580 5.884 1.00 0.00 C ATOM 1586 CG ASP B 3 2.206 -14.463 5.953 1.00 0.00 C ATOM 1587 OD1 ASP B 3 1.789 -14.814 7.077 1.00 0.00 O ATOM 1588 OD2 ASP B 3 1.659 -14.805 4.883 1.00 0.00 O ATOM 0 HA ASP B 3 3.054 -13.103 7.943 1.00 0.00 H new ATOM 0 HB2 ASP B 3 3.405 -12.987 4.970 1.00 0.00 H new ATOM 0 HB3 ASP B 3 4.327 -14.206 5.827 1.00 0.00 H new ATOM 1593 N GLU B 4 5.258 -11.714 8.540 1.00 0.00 N ATOM 1594 CA GLU B 4 6.617 -11.437 8.991 1.00 0.00 C ATOM 1595 C GLU B 4 7.252 -12.680 9.609 1.00 0.00 C ATOM 1596 O GLU B 4 6.640 -13.357 10.436 1.00 0.00 O ATOM 1597 CB GLU B 4 6.615 -10.294 10.010 1.00 0.00 C ATOM 1598 CG GLU B 4 6.759 -8.919 9.380 1.00 0.00 C ATOM 1599 CD GLU B 4 6.086 -7.831 10.193 1.00 0.00 C ATOM 1600 OE1 GLU B 4 6.681 -7.384 11.196 1.00 0.00 O ATOM 1601 OE2 GLU B 4 4.961 -7.427 9.828 1.00 0.00 O ATOM 0 H GLU B 4 4.528 -11.315 9.130 1.00 0.00 H new ATOM 0 HA GLU B 4 7.207 -11.143 8.123 1.00 0.00 H new ATOM 0 HB2 GLU B 4 5.687 -10.328 10.580 1.00 0.00 H new ATOM 0 HB3 GLU B 4 7.430 -10.448 10.718 1.00 0.00 H new ATOM 0 HG2 GLU B 4 7.817 -8.683 9.270 1.00 0.00 H new ATOM 0 HG3 GLU B 4 6.331 -8.936 8.378 1.00 0.00 H new ATOM 1608 N ASP B 5 8.482 -12.973 9.202 1.00 0.00 N ATOM 1609 CA ASP B 5 9.202 -14.133 9.715 1.00 0.00 C ATOM 1610 C ASP B 5 10.279 -13.706 10.707 1.00 0.00 C ATOM 1611 O ASP B 5 10.591 -14.432 11.651 1.00 0.00 O ATOM 1612 CB ASP B 5 9.834 -14.917 8.564 1.00 0.00 C ATOM 1613 CG ASP B 5 10.840 -14.093 7.787 1.00 0.00 C ATOM 1614 OD1 ASP B 5 10.756 -12.848 7.843 1.00 0.00 O ATOM 1615 OD2 ASP B 5 11.712 -14.692 7.123 1.00 0.00 O ATOM 0 H ASP B 5 9.002 -12.423 8.518 1.00 0.00 H new ATOM 0 HA ASP B 5 8.489 -14.774 10.233 1.00 0.00 H new ATOM 0 HB2 ASP B 5 10.325 -15.806 8.960 1.00 0.00 H new ATOM 0 HB3 ASP B 5 9.050 -15.260 7.888 1.00 0.00 H new ATOM 1620 N GLN B 6 10.843 -12.523 10.485 1.00 0.00 N ATOM 1621 CA GLN B 6 11.885 -11.997 11.359 1.00 0.00 C ATOM 1622 C GLN B 6 11.392 -10.766 12.115 1.00 0.00 C ATOM 1623 O GLN B 6 10.213 -10.415 12.048 1.00 0.00 O ATOM 1624 CB GLN B 6 13.132 -11.647 10.543 1.00 0.00 C ATOM 1625 CG GLN B 6 14.248 -12.673 10.666 1.00 0.00 C ATOM 1626 CD GLN B 6 14.023 -13.884 9.782 1.00 0.00 C ATOM 1627 OE1 GLN B 6 14.308 -13.857 8.585 1.00 0.00 O ATOM 1628 NE2 GLN B 6 13.508 -14.959 10.371 1.00 0.00 N ATOM 0 H GLN B 6 10.596 -11.911 9.707 1.00 0.00 H new ATOM 0 HA GLN B 6 12.140 -12.767 12.087 1.00 0.00 H new ATOM 0 HB2 GLN B 6 12.854 -11.549 9.494 1.00 0.00 H new ATOM 0 HB3 GLN B 6 13.506 -10.675 10.865 1.00 0.00 H new ATOM 0 HG2 GLN B 6 15.197 -12.206 10.403 1.00 0.00 H new ATOM 0 HG3 GLN B 6 14.328 -12.995 11.704 1.00 0.00 H new ATOM 0 HE21 GLN B 6 13.286 -14.938 11.366 1.00 0.00 H new ATOM 0 HE22 GLN B 6 13.335 -15.805 9.827 1.00 0.00 H new ATOM 1637 N HIS B 7 12.302 -10.115 12.830 1.00 0.00 N ATOM 1638 CA HIS B 7 11.962 -8.922 13.598 1.00 0.00 C ATOM 1639 C HIS B 7 11.594 -7.762 12.676 1.00 0.00 C ATOM 1640 O HIS B 7 10.898 -6.831 13.080 1.00 0.00 O ATOM 1641 CB HIS B 7 13.131 -8.523 14.501 1.00 0.00 C ATOM 1642 CG HIS B 7 12.742 -8.324 15.933 1.00 0.00 C ATOM 1643 ND1 HIS B 7 13.046 -7.182 16.645 1.00 0.00 N ATOM 1644 CD2 HIS B 7 12.065 -9.127 16.788 1.00 0.00 C ATOM 1645 CE1 HIS B 7 12.577 -7.293 17.874 1.00 0.00 C ATOM 1646 NE2 HIS B 7 11.977 -8.464 17.987 1.00 0.00 N ATOM 0 H HIS B 7 13.281 -10.393 12.894 1.00 0.00 H new ATOM 0 HA HIS B 7 11.095 -9.154 14.217 1.00 0.00 H new ATOM 0 HB2 HIS B 7 13.901 -9.293 14.446 1.00 0.00 H new ATOM 0 HB3 HIS B 7 13.574 -7.602 14.122 1.00 0.00 H new ATOM 0 HD2 HIS B 7 11.668 -10.107 16.568 1.00 0.00 H new ATOM 0 HE1 HIS B 7 12.668 -6.552 18.654 1.00 0.00 H new ATOM 0 HE2 HIS B 7 11.522 -8.818 18.828 1.00 0.00 H new ATOM 1655 N SER B 8 12.067 -7.822 11.432 1.00 0.00 N ATOM 1656 CA SER B 8 11.788 -6.775 10.455 1.00 0.00 C ATOM 1657 C SER B 8 12.410 -5.450 10.889 1.00 0.00 C ATOM 1658 O SER B 8 13.299 -5.420 11.740 1.00 0.00 O ATOM 1659 CB SER B 8 10.278 -6.613 10.260 1.00 0.00 C ATOM 1660 OG SER B 8 9.994 -5.793 9.140 1.00 0.00 O ATOM 0 H SER B 8 12.645 -8.585 11.079 1.00 0.00 H new ATOM 0 HA SER B 8 12.234 -7.069 9.505 1.00 0.00 H new ATOM 0 HB2 SER B 8 9.819 -7.592 10.124 1.00 0.00 H new ATOM 0 HB3 SER B 8 9.837 -6.176 11.156 1.00 0.00 H new ATOM 0 HG SER B 8 9.869 -6.355 8.347 1.00 0.00 H new ATOM 1666 N GLN B 9 11.940 -4.355 10.298 1.00 0.00 N ATOM 1667 CA GLN B 9 12.449 -3.033 10.617 1.00 0.00 C ATOM 1668 C GLN B 9 11.654 -1.982 9.858 1.00 0.00 C ATOM 1669 O GLN B 9 11.509 -2.064 8.637 1.00 0.00 O ATOM 1670 CB GLN B 9 13.941 -2.946 10.272 1.00 0.00 C ATOM 1671 CG GLN B 9 14.537 -1.549 10.403 1.00 0.00 C ATOM 1672 CD GLN B 9 14.056 -0.590 9.328 1.00 0.00 C ATOM 1673 OE1 GLN B 9 13.875 0.601 9.582 1.00 0.00 O ATOM 1674 NE2 GLN B 9 13.845 -1.102 8.120 1.00 0.00 N ATOM 0 H GLN B 9 11.203 -4.362 9.592 1.00 0.00 H new ATOM 0 HA GLN B 9 12.336 -2.849 11.685 1.00 0.00 H new ATOM 0 HB2 GLN B 9 14.492 -3.625 10.922 1.00 0.00 H new ATOM 0 HB3 GLN B 9 14.086 -3.295 9.250 1.00 0.00 H new ATOM 0 HG2 GLN B 9 14.284 -1.143 11.382 1.00 0.00 H new ATOM 0 HG3 GLN B 9 15.624 -1.619 10.358 1.00 0.00 H new ATOM 0 HE21 GLN B 9 14.007 -2.095 7.951 1.00 0.00 H new ATOM 0 HE22 GLN B 9 13.521 -0.502 7.361 1.00 0.00 H new ATOM 1683 N ILE B 10 11.133 -1.001 10.579 1.00 0.00 N ATOM 1684 CA ILE B 10 10.347 0.054 9.956 1.00 0.00 C ATOM 1685 C ILE B 10 11.204 1.271 9.660 1.00 0.00 C ATOM 1686 O ILE B 10 11.492 2.079 10.544 1.00 0.00 O ATOM 1687 CB ILE B 10 9.149 0.478 10.826 1.00 0.00 C ATOM 1688 CG1 ILE B 10 8.622 -0.707 11.640 1.00 0.00 C ATOM 1689 CG2 ILE B 10 8.051 1.056 9.948 1.00 0.00 C ATOM 1690 CD1 ILE B 10 7.853 -1.723 10.820 1.00 0.00 C ATOM 0 H ILE B 10 11.239 -0.913 11.590 1.00 0.00 H new ATOM 0 HA ILE B 10 9.965 -0.358 9.022 1.00 0.00 H new ATOM 0 HB ILE B 10 9.480 1.245 11.526 1.00 0.00 H new ATOM 0 HG12 ILE B 10 9.462 -1.206 12.123 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.976 -0.331 12.433 1.00 0.00 H new ATOM 0 HG21 ILE B 10 7.207 1.354 10.570 1.00 0.00 H new ATOM 0 HG22 ILE B 10 8.433 1.926 9.414 1.00 0.00 H new ATOM 0 HG23 ILE B 10 7.725 0.303 9.230 1.00 0.00 H new ATOM 0 HD11 ILE B 10 7.513 -2.531 11.468 1.00 0.00 H new ATOM 0 HD12 ILE B 10 6.991 -1.241 10.358 1.00 0.00 H new ATOM 0 HD13 ILE B 10 8.501 -2.129 10.043 1.00 0.00 H new ATOM 1702 N THR B 11 11.606 1.393 8.406 1.00 0.00 N ATOM 1703 CA THR B 11 12.433 2.509 7.967 1.00 0.00 C ATOM 1704 C THR B 11 11.624 3.802 7.938 1.00 0.00 C ATOM 1705 O THR B 11 10.878 4.058 6.994 1.00 0.00 O ATOM 1706 CB THR B 11 13.014 2.222 6.583 1.00 0.00 C ATOM 1707 OG1 THR B 11 13.775 1.027 6.596 1.00 0.00 O ATOM 1708 CG2 THR B 11 13.909 3.327 6.064 1.00 0.00 C ATOM 0 H THR B 11 11.372 0.729 7.668 1.00 0.00 H new ATOM 0 HA THR B 11 13.251 2.630 8.677 1.00 0.00 H new ATOM 0 HB THR B 11 12.151 2.136 5.923 1.00 0.00 H new ATOM 0 HG1 THR B 11 14.650 1.192 6.187 1.00 0.00 H new ATOM 0 HG21 THR B 11 14.286 3.057 5.078 1.00 0.00 H new ATOM 0 HG22 THR B 11 13.339 4.254 5.993 1.00 0.00 H new ATOM 0 HG23 THR B 11 14.747 3.468 6.747 1.00 0.00 H new ATOM 1716 N LYS B 12 11.774 4.609 8.981 1.00 0.00 N ATOM 1717 CA LYS B 12 11.053 5.873 9.078 1.00 0.00 C ATOM 1718 C LYS B 12 11.566 6.877 8.053 1.00 0.00 C ATOM 1719 O LYS B 12 12.666 7.411 8.188 1.00 0.00 O ATOM 1720 CB LYS B 12 11.184 6.454 10.487 1.00 0.00 C ATOM 1721 CG LYS B 12 10.182 7.559 10.780 1.00 0.00 C ATOM 1722 CD LYS B 12 8.768 7.011 10.906 1.00 0.00 C ATOM 1723 CE LYS B 12 8.116 7.445 12.209 1.00 0.00 C ATOM 1724 NZ LYS B 12 6.663 7.719 12.040 1.00 0.00 N ATOM 0 H LYS B 12 12.388 4.411 9.771 1.00 0.00 H new ATOM 0 HA LYS B 12 10.002 5.676 8.869 1.00 0.00 H new ATOM 0 HB2 LYS B 12 11.054 5.654 11.215 1.00 0.00 H new ATOM 0 HB3 LYS B 12 12.193 6.844 10.619 1.00 0.00 H new ATOM 0 HG2 LYS B 12 10.460 8.068 11.703 1.00 0.00 H new ATOM 0 HG3 LYS B 12 10.216 8.302 9.984 1.00 0.00 H new ATOM 0 HD2 LYS B 12 8.167 7.356 10.065 1.00 0.00 H new ATOM 0 HD3 LYS B 12 8.793 5.922 10.855 1.00 0.00 H new ATOM 0 HE2 LYS B 12 8.253 6.667 12.960 1.00 0.00 H new ATOM 0 HE3 LYS B 12 8.613 8.340 12.583 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 6.170 7.546 12.939 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 6.527 8.710 11.756 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 6.275 7.093 11.306 1.00 0.00 H new ATOM 1738 N VAL B 13 10.757 7.134 7.031 1.00 0.00 N ATOM 1739 CA VAL B 13 11.123 8.080 5.985 1.00 0.00 C ATOM 1740 C VAL B 13 9.948 8.994 5.651 1.00 0.00 C ATOM 1741 O VAL B 13 9.479 8.968 4.493 1.00 0.00 O ATOM 1742 CB VAL B 13 11.595 7.356 4.709 1.00 0.00 C ATOM 1743 CG1 VAL B 13 12.891 6.605 4.970 1.00 0.00 C ATOM 1744 CG2 VAL B 13 10.517 6.411 4.196 1.00 0.00 C ATOM 1745 OXT VAL B 13 9.500 9.727 6.557 1.00 0.00 O ATOM 0 H VAL B 13 9.843 6.700 6.905 1.00 0.00 H new ATOM 0 HA VAL B 13 11.949 8.681 6.365 1.00 0.00 H new ATOM 0 HB VAL B 13 11.783 8.105 3.939 1.00 0.00 H new ATOM 0 HG11 VAL B 13 13.209 6.100 4.058 1.00 0.00 H new ATOM 0 HG12 VAL B 13 13.662 7.309 5.283 1.00 0.00 H new ATOM 0 HG13 VAL B 13 12.732 5.867 5.757 1.00 0.00 H new ATOM 0 HG21 VAL B 13 10.871 5.910 3.295 1.00 0.00 H new ATOM 0 HG22 VAL B 13 10.292 5.667 4.960 1.00 0.00 H new ATOM 0 HG23 VAL B 13 9.615 6.978 3.965 1.00 0.00 H new TER 1755 VAL B 13