USER MOD reduce.3.24.130724 H: found=0, std=0, add=1162, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1038 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 32 SER OG : rot 40:sc= 0.992 USER MOD Set 1.2: B 36 LYS NZ :NH3+ -158:sc= -1.65! (180deg=-2.62!) USER MOD Set 1.3: B 78 HIS : no HE2:sc= 0.813 K(o=0.16,f=-3.4!) USER MOD Set 2.1: A 32 SER OG : rot 40:sc= 1.04 USER MOD Set 2.2: A 36 LYS NZ :NH3+ -160:sc= -1.65! (180deg=-2.57!) USER MOD Set 2.3: A 78 HIS : no HE2:sc= 0.832 K(o=0.23,f=-3.4!) USER MOD Single : A 14 MET CE :methyl -132:sc= -0.599 (180deg=-1.58) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -177:sc= 1.32 USER MOD Single : A 19 LYS NZ :NH3+ 157:sc= 1.21 (180deg=0.814) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.0237 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0415 USER MOD Single : A 46 SER OG : rot 105:sc= 1.28 USER MOD Single : A 48 ASN : amide:sc= -2.1 X(o=-2.1,f=-2.4!) USER MOD Single : A 51 MET CE :methyl 153:sc= -1.6 (180deg=-3.9!) USER MOD Single : A 53 CYS SG : rot 80:sc= 0.555 USER MOD Single : A 55 SER OG : rot 80:sc= 0.854 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -125:sc= 1.26 USER MOD Single : A 75 LYS NZ :NH3+ -168:sc= 1.11 (180deg=0.893) USER MOD Single : A 77 GLN : amide:sc= -0.0738 X(o=-0.074,f=-0.052) USER MOD Single : A 84 ASN :FLIP amide:sc= -1.19 F(o=-3.1!,f=-1.2) USER MOD Single : A 85 SER OG : rot 17:sc= 1.56 USER MOD Single : A 87 SER OG : rot -11:sc= 0.499 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : B 14 MET CE :methyl -131:sc= -0.635 (180deg=-1.59) USER MOD Single : B 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 18 SER OG : rot -177:sc= 1.33 USER MOD Single : B 19 LYS NZ :NH3+ 163:sc= 1.21 (180deg=0.826) USER MOD Single : B 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 29 TYR OH : rot 180:sc= -0.0412 USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 SER OG : rot 180:sc= 0.0436 USER MOD Single : B 46 SER OG : rot 121:sc= 1.29 USER MOD Single : B 48 ASN : amide:sc= -2.04 X(o=-2,f=-2.4!) USER MOD Single : B 51 MET CE :methyl 151:sc= -1.41 (180deg=-3.77!) USER MOD Single : B 53 CYS SG : rot 80:sc= 0.723 USER MOD Single : B 55 SER OG : rot 80:sc= 0.857 USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 SER OG : rot -124:sc= 1.27 USER MOD Single : B 75 LYS NZ :NH3+ -168:sc= 1.08 (180deg=0.863) USER MOD Single : B 77 GLN : amide:sc= -0.083 X(o=-0.083,f=-0.065) USER MOD Single : B 84 ASN :FLIP amide:sc= -1.31 F(o=-3.3!,f=-1.3) USER MOD Single : B 85 SER OG : rot 18:sc= 1.54 USER MOD Single : B 87 SER OG : rot -12:sc= 0.497 USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 14 -5.402 -13.977 6.455 1.00 4.47 N ATOM 2 CA MET A 14 -6.650 -14.111 5.673 1.00 3.81 C ATOM 3 C MET A 14 -7.818 -13.491 6.431 1.00 2.82 C ATOM 4 O MET A 14 -7.968 -13.717 7.632 1.00 2.99 O ATOM 5 CB MET A 14 -6.932 -15.590 5.393 1.00 4.50 C ATOM 6 CG MET A 14 -8.183 -15.832 4.565 1.00 5.02 C ATOM 7 SD MET A 14 -8.571 -17.586 4.381 1.00 5.80 S ATOM 8 CE MET A 14 -7.087 -18.188 3.580 1.00 6.45 C ATOM 0 HA MET A 14 -6.530 -13.585 4.726 1.00 3.81 H new ATOM 0 HB2 MET A 14 -6.076 -16.021 4.874 1.00 4.50 H new ATOM 0 HB3 MET A 14 -7.029 -16.117 6.342 1.00 4.50 H new ATOM 0 HG2 MET A 14 -9.027 -15.325 5.033 1.00 5.02 H new ATOM 0 HG3 MET A 14 -8.052 -15.388 3.578 1.00 5.02 H new ATOM 0 HE1 MET A 14 -7.360 -18.805 2.724 1.00 6.45 H new ATOM 0 HE2 MET A 14 -6.488 -17.343 3.242 1.00 6.45 H new ATOM 0 HE3 MET A 14 -6.508 -18.784 4.286 1.00 6.45 H new ATOM 20 N MET A 15 -8.614 -12.686 5.719 1.00 2.12 N ATOM 21 CA MET A 15 -9.810 -12.036 6.268 1.00 1.95 C ATOM 22 C MET A 15 -9.454 -10.867 7.180 1.00 1.69 C ATOM 23 O MET A 15 -8.381 -10.837 7.789 1.00 2.48 O ATOM 24 CB MET A 15 -10.698 -13.037 7.008 1.00 2.52 C ATOM 25 CG MET A 15 -11.450 -13.981 6.088 1.00 3.07 C ATOM 26 SD MET A 15 -12.391 -15.232 6.980 1.00 3.93 S ATOM 27 CE MET A 15 -13.085 -16.156 5.612 1.00 4.73 C ATOM 0 H MET A 15 -8.445 -12.465 4.738 1.00 2.12 H new ATOM 0 HA MET A 15 -10.370 -11.640 5.421 1.00 1.95 H new ATOM 0 HB2 MET A 15 -10.081 -13.623 7.689 1.00 2.52 H new ATOM 0 HB3 MET A 15 -11.416 -12.490 7.619 1.00 2.52 H new ATOM 0 HG2 MET A 15 -12.128 -13.404 5.460 1.00 3.07 H new ATOM 0 HG3 MET A 15 -10.741 -14.473 5.423 1.00 3.07 H new ATOM 0 HE1 MET A 15 -13.698 -16.971 5.997 1.00 4.73 H new ATOM 0 HE2 MET A 15 -13.701 -15.495 5.002 1.00 4.73 H new ATOM 0 HE3 MET A 15 -12.279 -16.565 5.003 1.00 4.73 H new ATOM 37 N SER A 16 -10.366 -9.897 7.249 1.00 1.19 N ATOM 38 CA SER A 16 -10.203 -8.703 8.076 1.00 1.17 C ATOM 39 C SER A 16 -9.006 -7.871 7.627 1.00 1.05 C ATOM 40 O SER A 16 -8.451 -7.095 8.406 1.00 1.91 O ATOM 41 CB SER A 16 -10.062 -9.087 9.550 1.00 1.62 C ATOM 42 OG SER A 16 -11.159 -9.877 9.976 1.00 2.01 O ATOM 0 H SER A 16 -11.243 -9.919 6.729 1.00 1.19 H new ATOM 0 HA SER A 16 -11.098 -8.092 7.955 1.00 1.17 H new ATOM 0 HB2 SER A 16 -9.133 -9.638 9.699 1.00 1.62 H new ATOM 0 HB3 SER A 16 -10.000 -8.186 10.160 1.00 1.62 H new ATOM 0 HG SER A 16 -11.046 -10.112 10.921 1.00 2.01 H new ATOM 48 N ALA A 17 -8.637 -8.035 6.352 1.00 0.93 N ATOM 49 CA ALA A 17 -7.459 -7.390 5.780 1.00 0.81 C ATOM 50 C ALA A 17 -6.230 -7.671 6.632 1.00 0.69 C ATOM 51 O ALA A 17 -5.759 -6.811 7.380 1.00 0.70 O ATOM 52 CB ALA A 17 -7.676 -5.894 5.611 1.00 1.09 C ATOM 0 H ALA A 17 -9.149 -8.619 5.691 1.00 0.93 H new ATOM 0 HA ALA A 17 -7.292 -7.811 4.789 1.00 0.81 H new ATOM 0 HB1 ALA A 17 -6.781 -5.443 5.183 1.00 1.09 H new ATOM 0 HB2 ALA A 17 -8.523 -5.722 4.946 1.00 1.09 H new ATOM 0 HB3 ALA A 17 -7.880 -5.444 6.583 1.00 1.09 H new ATOM 58 N SER A 18 -5.726 -8.887 6.526 1.00 0.64 N ATOM 59 CA SER A 18 -4.570 -9.296 7.298 1.00 0.61 C ATOM 60 C SER A 18 -3.309 -8.634 6.755 1.00 0.50 C ATOM 61 O SER A 18 -3.308 -8.147 5.622 1.00 0.45 O ATOM 62 CB SER A 18 -4.421 -10.813 7.256 1.00 0.66 C ATOM 63 OG SER A 18 -5.657 -11.452 7.518 1.00 1.32 O ATOM 0 H SER A 18 -6.101 -9.609 5.911 1.00 0.64 H new ATOM 0 HA SER A 18 -4.714 -8.982 8.332 1.00 0.61 H new ATOM 0 HB2 SER A 18 -4.050 -11.119 6.278 1.00 0.66 H new ATOM 0 HB3 SER A 18 -3.681 -11.130 7.991 1.00 0.66 H new ATOM 0 HG SER A 18 -5.528 -12.423 7.525 1.00 1.32 H new ATOM 69 N LYS A 19 -2.247 -8.622 7.550 1.00 0.50 N ATOM 70 CA LYS A 19 -0.991 -8.003 7.137 1.00 0.43 C ATOM 71 C LYS A 19 -0.543 -8.574 5.793 1.00 0.34 C ATOM 72 O LYS A 19 -0.197 -7.830 4.871 1.00 0.28 O ATOM 73 CB LYS A 19 0.087 -8.240 8.199 1.00 0.54 C ATOM 74 CG LYS A 19 -0.319 -7.801 9.599 1.00 0.84 C ATOM 75 CD LYS A 19 -0.448 -6.290 9.713 1.00 1.12 C ATOM 76 CE LYS A 19 -0.929 -5.877 11.096 1.00 1.73 C ATOM 77 NZ LYS A 19 -0.061 -6.418 12.177 1.00 2.10 N ATOM 0 H LYS A 19 -2.229 -9.033 8.483 1.00 0.50 H new ATOM 0 HA LYS A 19 -1.145 -6.929 7.028 1.00 0.43 H new ATOM 0 HB2 LYS A 19 0.336 -9.301 8.219 1.00 0.54 H new ATOM 0 HB3 LYS A 19 0.992 -7.706 7.910 1.00 0.54 H new ATOM 0 HG2 LYS A 19 -1.269 -8.266 9.862 1.00 0.84 H new ATOM 0 HG3 LYS A 19 0.420 -8.156 10.318 1.00 0.84 H new ATOM 0 HD2 LYS A 19 0.516 -5.824 9.507 1.00 1.12 H new ATOM 0 HD3 LYS A 19 -1.146 -5.925 8.959 1.00 1.12 H new ATOM 0 HE2 LYS A 19 -0.952 -4.789 11.161 1.00 1.73 H new ATOM 0 HE3 LYS A 19 -1.951 -6.227 11.243 1.00 1.73 H new ATOM 0 HZ1 LYS A 19 -0.163 -5.832 13.030 1.00 2.10 H new ATOM 0 HZ2 LYS A 19 -0.344 -7.395 12.393 1.00 2.10 H new ATOM 0 HZ3 LYS A 19 0.931 -6.406 11.865 1.00 2.10 H new ATOM 91 N GLU A 20 -0.598 -9.901 5.689 1.00 0.41 N ATOM 92 CA GLU A 20 -0.249 -10.614 4.463 1.00 0.41 C ATOM 93 C GLU A 20 -1.045 -10.099 3.262 1.00 0.34 C ATOM 94 O GLU A 20 -0.487 -9.853 2.195 1.00 0.30 O ATOM 95 CB GLU A 20 -0.512 -12.115 4.645 1.00 0.57 C ATOM 96 CG GLU A 20 -1.908 -12.419 5.171 1.00 0.64 C ATOM 97 CD GLU A 20 -2.237 -13.895 5.208 1.00 0.95 C ATOM 98 OE1 GLU A 20 -1.438 -14.677 5.771 1.00 1.49 O ATOM 99 OE2 GLU A 20 -3.322 -14.271 4.711 1.00 1.57 O ATOM 0 H GLU A 20 -0.886 -10.512 6.453 1.00 0.41 H new ATOM 0 HA GLU A 20 0.809 -10.440 4.266 1.00 0.41 H new ATOM 0 HB2 GLU A 20 -0.373 -12.620 3.689 1.00 0.57 H new ATOM 0 HB3 GLU A 20 0.226 -12.526 5.334 1.00 0.57 H new ATOM 0 HG2 GLU A 20 -2.005 -12.009 6.176 1.00 0.64 H new ATOM 0 HG3 GLU A 20 -2.641 -11.908 4.547 1.00 0.64 H new ATOM 106 N GLU A 21 -2.346 -9.915 3.460 1.00 0.37 N ATOM 107 CA GLU A 21 -3.253 -9.551 2.378 1.00 0.39 C ATOM 108 C GLU A 21 -3.002 -8.125 1.911 1.00 0.32 C ATOM 109 O GLU A 21 -2.948 -7.854 0.712 1.00 0.34 O ATOM 110 CB GLU A 21 -4.701 -9.703 2.845 1.00 0.50 C ATOM 111 CG GLU A 21 -5.037 -11.115 3.296 1.00 0.61 C ATOM 112 CD GLU A 21 -6.463 -11.266 3.785 1.00 0.91 C ATOM 113 OE1 GLU A 21 -6.847 -10.536 4.719 1.00 1.54 O ATOM 114 OE2 GLU A 21 -7.195 -12.133 3.254 1.00 1.49 O ATOM 0 H GLU A 21 -2.799 -10.013 4.369 1.00 0.37 H new ATOM 0 HA GLU A 21 -3.071 -10.219 1.536 1.00 0.39 H new ATOM 0 HB2 GLU A 21 -4.886 -9.012 3.667 1.00 0.50 H new ATOM 0 HB3 GLU A 21 -5.370 -9.418 2.033 1.00 0.50 H new ATOM 0 HG2 GLU A 21 -4.870 -11.803 2.467 1.00 0.61 H new ATOM 0 HG3 GLU A 21 -4.354 -11.406 4.094 1.00 0.61 H new ATOM 121 N ILE A 22 -2.839 -7.222 2.866 1.00 0.30 N ATOM 122 CA ILE A 22 -2.601 -5.821 2.557 1.00 0.28 C ATOM 123 C ILE A 22 -1.275 -5.655 1.828 1.00 0.24 C ATOM 124 O ILE A 22 -1.212 -5.027 0.773 1.00 0.26 O ATOM 125 CB ILE A 22 -2.594 -4.961 3.835 1.00 0.30 C ATOM 126 CG1 ILE A 22 -3.887 -5.186 4.620 1.00 0.36 C ATOM 127 CG2 ILE A 22 -2.431 -3.488 3.479 1.00 0.31 C ATOM 128 CD1 ILE A 22 -3.869 -4.588 6.007 1.00 0.44 C ATOM 0 H ILE A 22 -2.867 -7.435 3.863 1.00 0.30 H new ATOM 0 HA ILE A 22 -3.414 -5.483 1.914 1.00 0.28 H new ATOM 0 HB ILE A 22 -1.751 -5.257 4.459 1.00 0.30 H new ATOM 0 HG12 ILE A 22 -4.720 -4.759 4.061 1.00 0.36 H new ATOM 0 HG13 ILE A 22 -4.072 -6.257 4.699 1.00 0.36 H new ATOM 0 HG21 ILE A 22 -2.428 -2.891 4.391 1.00 0.31 H new ATOM 0 HG22 ILE A 22 -1.490 -3.344 2.948 1.00 0.31 H new ATOM 0 HG23 ILE A 22 -3.258 -3.174 2.843 1.00 0.31 H new ATOM 0 HD11 ILE A 22 -4.819 -4.788 6.502 1.00 0.44 H new ATOM 0 HD12 ILE A 22 -3.058 -5.033 6.584 1.00 0.44 H new ATOM 0 HD13 ILE A 22 -3.716 -3.511 5.937 1.00 0.44 H new ATOM 135 N ALA A 23 -0.225 -6.249 2.386 1.00 0.20 N ATOM 136 CA ALA A 23 1.104 -6.168 1.796 1.00 0.19 C ATOM 137 C ALA A 23 1.113 -6.763 0.395 1.00 0.20 C ATOM 138 O ALA A 23 1.755 -6.229 -0.507 1.00 0.20 O ATOM 139 CB ALA A 23 2.117 -6.877 2.675 1.00 0.20 C ATOM 0 H ALA A 23 -0.270 -6.793 3.248 1.00 0.20 H new ATOM 0 HA ALA A 23 1.379 -5.116 1.722 1.00 0.19 H new ATOM 0 HB1 ALA A 23 3.105 -6.807 2.220 1.00 0.20 H new ATOM 0 HB2 ALA A 23 2.136 -6.408 3.659 1.00 0.20 H new ATOM 0 HB3 ALA A 23 1.838 -7.926 2.778 1.00 0.20 H new ATOM 145 N ALA A 24 0.385 -7.862 0.224 1.00 0.22 N ATOM 146 CA ALA A 24 0.271 -8.518 -1.071 1.00 0.25 C ATOM 147 C ALA A 24 -0.297 -7.564 -2.116 1.00 0.24 C ATOM 148 O ALA A 24 0.218 -7.469 -3.229 1.00 0.25 O ATOM 149 CB ALA A 24 -0.601 -9.756 -0.954 1.00 0.31 C ATOM 0 H ALA A 24 -0.137 -8.318 0.972 1.00 0.22 H new ATOM 0 HA ALA A 24 1.268 -8.818 -1.394 1.00 0.25 H new ATOM 0 HB1 ALA A 24 -0.680 -10.239 -1.928 1.00 0.31 H new ATOM 0 HB2 ALA A 24 -0.155 -10.449 -0.240 1.00 0.31 H new ATOM 0 HB3 ALA A 24 -1.595 -9.470 -0.610 1.00 0.31 H new ATOM 155 N LEU A 25 -1.349 -6.848 -1.746 1.00 0.23 N ATOM 156 CA LEU A 25 -1.964 -5.875 -2.638 1.00 0.23 C ATOM 157 C LEU A 25 -1.018 -4.710 -2.898 1.00 0.22 C ATOM 158 O LEU A 25 -0.933 -4.205 -4.016 1.00 0.25 O ATOM 159 CB LEU A 25 -3.269 -5.351 -2.041 1.00 0.26 C ATOM 160 CG LEU A 25 -4.363 -6.398 -1.839 1.00 0.36 C ATOM 161 CD1 LEU A 25 -5.566 -5.772 -1.158 1.00 0.46 C ATOM 162 CD2 LEU A 25 -4.767 -7.014 -3.170 1.00 0.44 C ATOM 0 H LEU A 25 -1.796 -6.923 -0.832 1.00 0.23 H new ATOM 0 HA LEU A 25 -2.179 -6.374 -3.583 1.00 0.23 H new ATOM 0 HB2 LEU A 25 -3.049 -4.889 -1.078 1.00 0.26 H new ATOM 0 HB3 LEU A 25 -3.656 -4.566 -2.690 1.00 0.26 H new ATOM 0 HG LEU A 25 -3.972 -7.190 -1.201 1.00 0.36 H new ATOM 0 HD11 LEU A 25 -6.339 -6.527 -1.019 1.00 0.46 H new ATOM 0 HD12 LEU A 25 -5.269 -5.374 -0.188 1.00 0.46 H new ATOM 0 HD13 LEU A 25 -5.955 -4.964 -1.777 1.00 0.46 H new ATOM 0 HD21 LEU A 25 -5.547 -7.757 -3.005 1.00 0.44 H new ATOM 0 HD22 LEU A 25 -5.143 -6.234 -3.833 1.00 0.44 H new ATOM 0 HD23 LEU A 25 -3.901 -7.492 -3.627 1.00 0.44 H new ATOM 174 N ILE A 26 -0.307 -4.297 -1.856 1.00 0.21 N ATOM 175 CA ILE A 26 0.630 -3.187 -1.951 1.00 0.22 C ATOM 176 C ILE A 26 1.768 -3.502 -2.925 1.00 0.20 C ATOM 177 O ILE A 26 2.043 -2.722 -3.840 1.00 0.23 O ATOM 178 CB ILE A 26 1.211 -2.824 -0.564 1.00 0.22 C ATOM 179 CG1 ILE A 26 0.099 -2.319 0.363 1.00 0.26 C ATOM 180 CG2 ILE A 26 2.306 -1.776 -0.699 1.00 0.25 C ATOM 181 CD1 ILE A 26 0.569 -2.005 1.768 1.00 0.27 C ATOM 0 H ILE A 26 -0.363 -4.719 -0.929 1.00 0.21 H new ATOM 0 HA ILE A 26 0.075 -2.330 -2.331 1.00 0.22 H new ATOM 0 HB ILE A 26 1.648 -3.722 -0.128 1.00 0.22 H new ATOM 0 HG12 ILE A 26 -0.343 -1.422 -0.071 1.00 0.26 H new ATOM 0 HG13 ILE A 26 -0.689 -3.071 0.413 1.00 0.26 H new ATOM 0 HG21 ILE A 26 2.702 -1.534 0.287 1.00 0.25 H new ATOM 0 HG22 ILE A 26 3.108 -2.166 -1.326 1.00 0.25 H new ATOM 0 HG23 ILE A 26 1.894 -0.876 -1.155 1.00 0.25 H new ATOM 0 HD11 ILE A 26 -0.274 -1.654 2.364 1.00 0.27 H new ATOM 0 HD12 ILE A 26 0.984 -2.905 2.222 1.00 0.27 H new ATOM 0 HD13 ILE A 26 1.335 -1.230 1.731 1.00 0.27 H new ATOM 188 N VAL A 27 2.414 -4.651 -2.743 1.00 0.18 N ATOM 189 CA VAL A 27 3.531 -5.031 -3.603 1.00 0.20 C ATOM 190 C VAL A 27 3.056 -5.320 -5.024 1.00 0.22 C ATOM 191 O VAL A 27 3.745 -5.000 -5.994 1.00 0.24 O ATOM 192 CB VAL A 27 4.320 -6.247 -3.058 1.00 0.21 C ATOM 193 CG1 VAL A 27 4.953 -5.915 -1.720 1.00 0.21 C ATOM 194 CG2 VAL A 27 3.439 -7.480 -2.937 1.00 0.21 C ATOM 0 H VAL A 27 2.186 -5.329 -2.016 1.00 0.18 H new ATOM 0 HA VAL A 27 4.209 -4.177 -3.615 1.00 0.20 H new ATOM 0 HB VAL A 27 5.109 -6.474 -3.775 1.00 0.21 H new ATOM 0 HG11 VAL A 27 5.503 -6.781 -1.353 1.00 0.21 H new ATOM 0 HG12 VAL A 27 5.637 -5.075 -1.840 1.00 0.21 H new ATOM 0 HG13 VAL A 27 4.174 -5.650 -1.005 1.00 0.21 H new ATOM 0 HG21 VAL A 27 4.028 -8.312 -2.551 1.00 0.21 H new ATOM 0 HG22 VAL A 27 2.615 -7.273 -2.255 1.00 0.21 H new ATOM 0 HG23 VAL A 27 3.042 -7.741 -3.918 1.00 0.21 H new ATOM 198 N ASN A 28 1.867 -5.904 -5.149 1.00 0.26 N ATOM 199 CA ASN A 28 1.302 -6.200 -6.460 1.00 0.32 C ATOM 200 C ASN A 28 0.927 -4.905 -7.170 1.00 0.27 C ATOM 201 O ASN A 28 1.013 -4.806 -8.391 1.00 0.29 O ATOM 202 CB ASN A 28 0.080 -7.118 -6.329 1.00 0.45 C ATOM 203 CG ASN A 28 -0.438 -7.603 -7.672 1.00 0.68 C ATOM 204 OD1 ASN A 28 0.054 -8.589 -8.219 1.00 1.59 O ATOM 205 ND2 ASN A 28 -1.457 -6.942 -8.195 1.00 0.86 N ATOM 0 H ASN A 28 1.280 -6.180 -4.362 1.00 0.26 H new ATOM 0 HA ASN A 28 2.053 -6.721 -7.054 1.00 0.32 H new ATOM 0 HB2 ASN A 28 0.342 -7.979 -5.713 1.00 0.45 H new ATOM 0 HB3 ASN A 28 -0.716 -6.584 -5.809 1.00 0.45 H new ATOM 0 HD21 ASN A 28 -1.861 -7.246 -9.081 1.00 0.86 H new ATOM 0 HD22 ASN A 28 -1.839 -6.128 -7.712 1.00 0.86 H new ATOM 212 N TYR A 29 0.523 -3.907 -6.390 1.00 0.25 N ATOM 213 CA TYR A 29 0.241 -2.581 -6.922 1.00 0.24 C ATOM 214 C TYR A 29 1.512 -1.952 -7.482 1.00 0.19 C ATOM 215 O TYR A 29 1.540 -1.518 -8.633 1.00 0.19 O ATOM 216 CB TYR A 29 -0.367 -1.687 -5.834 1.00 0.29 C ATOM 217 CG TYR A 29 -0.439 -0.223 -6.210 1.00 0.32 C ATOM 218 CD1 TYR A 29 -1.318 0.225 -7.188 1.00 1.20 C ATOM 219 CD2 TYR A 29 0.378 0.710 -5.585 1.00 1.23 C ATOM 220 CE1 TYR A 29 -1.376 1.562 -7.534 1.00 1.22 C ATOM 221 CE2 TYR A 29 0.323 2.047 -5.923 1.00 1.25 C ATOM 222 CZ TYR A 29 -0.554 2.469 -6.899 1.00 0.43 C ATOM 223 OH TYR A 29 -0.606 3.800 -7.240 1.00 0.50 O ATOM 0 H TYR A 29 0.384 -3.994 -5.383 1.00 0.25 H new ATOM 0 HA TYR A 29 -0.482 -2.678 -7.732 1.00 0.24 H new ATOM 0 HB2 TYR A 29 -1.372 -2.043 -5.605 1.00 0.29 H new ATOM 0 HB3 TYR A 29 0.222 -1.789 -4.923 1.00 0.29 H new ATOM 0 HD1 TYR A 29 -1.966 -0.482 -7.685 1.00 1.20 H new ATOM 0 HD2 TYR A 29 1.068 0.384 -4.821 1.00 1.23 H new ATOM 0 HE1 TYR A 29 -2.062 1.895 -8.299 1.00 1.22 H new ATOM 0 HE2 TYR A 29 0.964 2.759 -5.425 1.00 1.25 H new ATOM 0 HH TYR A 29 0.037 4.302 -6.697 1.00 0.50 H new ATOM 233 N PHE A 30 2.568 -1.926 -6.672 1.00 0.16 N ATOM 234 CA PHE A 30 3.846 -1.365 -7.102 1.00 0.16 C ATOM 235 C PHE A 30 4.391 -2.117 -8.309 1.00 0.18 C ATOM 236 O PHE A 30 4.912 -1.514 -9.248 1.00 0.21 O ATOM 237 CB PHE A 30 4.873 -1.404 -5.967 1.00 0.19 C ATOM 238 CG PHE A 30 4.587 -0.461 -4.831 1.00 0.19 C ATOM 239 CD1 PHE A 30 4.053 0.798 -5.065 1.00 1.19 C ATOM 240 CD2 PHE A 30 4.864 -0.833 -3.528 1.00 1.18 C ATOM 241 CE1 PHE A 30 3.803 1.662 -4.018 1.00 1.22 C ATOM 242 CE2 PHE A 30 4.618 0.029 -2.479 1.00 1.17 C ATOM 243 CZ PHE A 30 4.085 1.279 -2.724 1.00 0.25 C ATOM 0 H PHE A 30 2.564 -2.286 -5.718 1.00 0.16 H new ATOM 0 HA PHE A 30 3.669 -0.326 -7.382 1.00 0.16 H new ATOM 0 HB2 PHE A 30 4.923 -2.420 -5.575 1.00 0.19 H new ATOM 0 HB3 PHE A 30 5.856 -1.171 -6.376 1.00 0.19 H new ATOM 0 HD1 PHE A 30 3.831 1.105 -6.076 1.00 1.19 H new ATOM 0 HD2 PHE A 30 5.278 -1.810 -3.329 1.00 1.18 H new ATOM 0 HE1 PHE A 30 3.386 2.639 -4.213 1.00 1.22 H new ATOM 0 HE2 PHE A 30 4.842 -0.274 -1.467 1.00 1.17 H new ATOM 0 HZ PHE A 30 3.890 1.955 -1.904 1.00 0.25 H new ATOM 253 N SER A 31 4.256 -3.436 -8.285 1.00 0.21 N ATOM 254 CA SER A 31 4.700 -4.268 -9.391 1.00 0.27 C ATOM 255 C SER A 31 3.890 -3.963 -10.648 1.00 0.25 C ATOM 256 O SER A 31 4.417 -3.994 -11.758 1.00 0.27 O ATOM 257 CB SER A 31 4.576 -5.750 -9.025 1.00 0.35 C ATOM 258 OG SER A 31 5.082 -6.580 -10.055 1.00 1.15 O ATOM 0 H SER A 31 3.841 -3.952 -7.509 1.00 0.21 H new ATOM 0 HA SER A 31 5.748 -4.045 -9.592 1.00 0.27 H new ATOM 0 HB2 SER A 31 5.118 -5.944 -8.099 1.00 0.35 H new ATOM 0 HB3 SER A 31 3.530 -5.994 -8.839 1.00 0.35 H new ATOM 0 HG SER A 31 4.991 -7.520 -9.792 1.00 1.15 H new ATOM 264 N SER A 32 2.615 -3.644 -10.470 1.00 0.27 N ATOM 265 CA SER A 32 1.747 -3.344 -11.595 1.00 0.30 C ATOM 266 C SER A 32 2.096 -1.977 -12.189 1.00 0.28 C ATOM 267 O SER A 32 1.850 -1.725 -13.369 1.00 0.35 O ATOM 268 CB SER A 32 0.276 -3.393 -11.168 1.00 0.40 C ATOM 269 OG SER A 32 -0.590 -3.418 -12.293 1.00 0.99 O ATOM 0 H SER A 32 2.162 -3.587 -9.558 1.00 0.27 H new ATOM 0 HA SER A 32 1.902 -4.101 -12.364 1.00 0.30 H new ATOM 0 HB2 SER A 32 0.103 -4.277 -10.554 1.00 0.40 H new ATOM 0 HB3 SER A 32 0.046 -2.526 -10.549 1.00 0.40 H new ATOM 0 HG SER A 32 -0.210 -3.998 -12.986 1.00 0.99 H new ATOM 275 N ILE A 33 2.688 -1.104 -11.376 1.00 0.24 N ATOM 276 CA ILE A 33 3.111 0.211 -11.847 1.00 0.26 C ATOM 277 C ILE A 33 4.208 0.076 -12.901 1.00 0.26 C ATOM 278 O ILE A 33 4.099 0.628 -13.997 1.00 0.31 O ATOM 279 CB ILE A 33 3.628 1.104 -10.699 1.00 0.30 C ATOM 280 CG1 ILE A 33 2.549 1.303 -9.634 1.00 0.30 C ATOM 281 CG2 ILE A 33 4.082 2.450 -11.239 1.00 0.43 C ATOM 282 CD1 ILE A 33 2.995 2.181 -8.484 1.00 0.34 C ATOM 0 H ILE A 33 2.885 -1.284 -10.391 1.00 0.24 H new ATOM 0 HA ILE A 33 2.231 0.685 -12.281 1.00 0.26 H new ATOM 0 HB ILE A 33 4.479 0.603 -10.237 1.00 0.30 H new ATOM 0 HG12 ILE A 33 1.668 1.745 -10.098 1.00 0.30 H new ATOM 0 HG13 ILE A 33 2.250 0.330 -9.244 1.00 0.30 H new ATOM 0 HG21 ILE A 33 4.444 3.068 -10.417 1.00 0.43 H new ATOM 0 HG22 ILE A 33 4.885 2.300 -11.961 1.00 0.43 H new ATOM 0 HG23 ILE A 33 3.244 2.948 -11.726 1.00 0.43 H new ATOM 0 HD11 ILE A 33 2.182 2.280 -7.765 1.00 0.34 H new ATOM 0 HD12 ILE A 33 3.858 1.729 -7.995 1.00 0.34 H new ATOM 0 HD13 ILE A 33 3.267 3.166 -8.863 1.00 0.34 H new ATOM 289 N VAL A 34 5.261 -0.664 -12.569 1.00 0.24 N ATOM 290 CA VAL A 34 6.353 -0.893 -13.511 1.00 0.31 C ATOM 291 C VAL A 34 5.882 -1.791 -14.651 1.00 0.37 C ATOM 292 O VAL A 34 6.361 -1.690 -15.778 1.00 0.47 O ATOM 293 CB VAL A 34 7.597 -1.516 -12.828 1.00 0.34 C ATOM 294 CG1 VAL A 34 8.138 -0.585 -11.755 1.00 0.35 C ATOM 295 CG2 VAL A 34 7.281 -2.880 -12.233 1.00 0.33 C ATOM 0 H VAL A 34 5.382 -1.113 -11.661 1.00 0.24 H new ATOM 0 HA VAL A 34 6.649 0.079 -13.906 1.00 0.31 H new ATOM 0 HB VAL A 34 8.361 -1.653 -13.594 1.00 0.34 H new ATOM 0 HG11 VAL A 34 9.011 -1.039 -11.286 1.00 0.35 H new ATOM 0 HG12 VAL A 34 8.422 0.365 -12.207 1.00 0.35 H new ATOM 0 HG13 VAL A 34 7.370 -0.413 -11.001 1.00 0.35 H new ATOM 0 HG21 VAL A 34 8.176 -3.288 -11.762 1.00 0.33 H new ATOM 0 HG22 VAL A 34 6.493 -2.778 -11.487 1.00 0.33 H new ATOM 0 HG23 VAL A 34 6.948 -3.553 -13.023 1.00 0.33 H new ATOM 299 N GLU A 35 4.925 -2.654 -14.332 1.00 0.35 N ATOM 300 CA GLU A 35 4.291 -3.538 -15.301 1.00 0.46 C ATOM 301 C GLU A 35 3.725 -2.750 -16.481 1.00 0.50 C ATOM 302 O GLU A 35 4.070 -3.008 -17.634 1.00 0.61 O ATOM 303 CB GLU A 35 3.175 -4.301 -14.593 1.00 0.50 C ATOM 304 CG GLU A 35 2.272 -5.120 -15.493 1.00 0.70 C ATOM 305 CD GLU A 35 1.086 -5.669 -14.730 1.00 1.49 C ATOM 306 OE1 GLU A 35 0.128 -4.902 -14.478 1.00 2.19 O ATOM 307 OE2 GLU A 35 1.115 -6.860 -14.356 1.00 2.22 O ATOM 0 H GLU A 35 4.564 -2.760 -13.384 1.00 0.35 H new ATOM 0 HA GLU A 35 5.033 -4.231 -15.698 1.00 0.46 H new ATOM 0 HB2 GLU A 35 3.624 -4.966 -13.856 1.00 0.50 H new ATOM 0 HB3 GLU A 35 2.561 -3.586 -14.045 1.00 0.50 H new ATOM 0 HG2 GLU A 35 1.921 -4.502 -16.319 1.00 0.70 H new ATOM 0 HG3 GLU A 35 2.839 -5.943 -15.929 1.00 0.70 H new ATOM 314 N LYS A 36 2.880 -1.771 -16.183 1.00 0.47 N ATOM 315 CA LYS A 36 2.217 -0.999 -17.226 1.00 0.54 C ATOM 316 C LYS A 36 2.963 0.299 -17.524 1.00 0.50 C ATOM 317 O LYS A 36 2.407 1.229 -18.107 1.00 0.60 O ATOM 318 CB LYS A 36 0.762 -0.714 -16.838 1.00 0.67 C ATOM 319 CG LYS A 36 0.598 0.009 -15.510 1.00 0.71 C ATOM 320 CD LYS A 36 -0.864 0.114 -15.094 1.00 0.97 C ATOM 321 CE LYS A 36 -1.369 -1.149 -14.395 1.00 1.42 C ATOM 322 NZ LYS A 36 -1.337 -2.356 -15.269 1.00 2.08 N ATOM 0 H LYS A 36 2.638 -1.494 -15.232 1.00 0.47 H new ATOM 0 HA LYS A 36 2.224 -1.596 -18.138 1.00 0.54 H new ATOM 0 HB2 LYS A 36 0.299 -0.116 -17.623 1.00 0.67 H new ATOM 0 HB3 LYS A 36 0.219 -1.658 -16.794 1.00 0.67 H new ATOM 0 HG2 LYS A 36 1.158 -0.519 -14.738 1.00 0.71 H new ATOM 0 HG3 LYS A 36 1.026 1.009 -15.586 1.00 0.71 H new ATOM 0 HD2 LYS A 36 -0.988 0.968 -14.428 1.00 0.97 H new ATOM 0 HD3 LYS A 36 -1.476 0.306 -15.975 1.00 0.97 H new ATOM 0 HE2 LYS A 36 -0.762 -1.334 -13.509 1.00 1.42 H new ATOM 0 HE3 LYS A 36 -2.390 -0.983 -14.052 1.00 1.42 H new ATOM 0 HZ1 LYS A 36 -1.981 -3.078 -14.887 1.00 2.08 H new ATOM 0 HZ2 LYS A 36 -1.638 -2.097 -16.230 1.00 2.08 H new ATOM 0 HZ3 LYS A 36 -0.370 -2.736 -15.300 1.00 2.08 H new ATOM 336 N LYS A 37 4.229 0.336 -17.104 1.00 0.47 N ATOM 337 CA LYS A 37 5.141 1.446 -17.394 1.00 0.54 C ATOM 338 C LYS A 37 4.551 2.788 -16.952 1.00 0.59 C ATOM 339 O LYS A 37 4.514 3.750 -17.717 1.00 0.75 O ATOM 340 CB LYS A 37 5.477 1.474 -18.891 1.00 0.71 C ATOM 341 CG LYS A 37 6.790 2.170 -19.219 1.00 1.18 C ATOM 342 CD LYS A 37 7.978 1.399 -18.664 1.00 1.41 C ATOM 343 CE LYS A 37 9.299 2.035 -19.063 1.00 1.98 C ATOM 344 NZ LYS A 37 10.463 1.274 -18.533 1.00 2.60 N ATOM 0 H LYS A 37 4.654 -0.407 -16.550 1.00 0.47 H new ATOM 0 HA LYS A 37 6.057 1.286 -16.826 1.00 0.54 H new ATOM 0 HB2 LYS A 37 5.518 0.450 -19.263 1.00 0.71 H new ATOM 0 HB3 LYS A 37 4.669 1.975 -19.425 1.00 0.71 H new ATOM 0 HG2 LYS A 37 6.891 2.270 -20.300 1.00 1.18 H new ATOM 0 HG3 LYS A 37 6.783 3.178 -18.805 1.00 1.18 H new ATOM 0 HD2 LYS A 37 7.908 1.357 -17.577 1.00 1.41 H new ATOM 0 HD3 LYS A 37 7.945 0.371 -19.026 1.00 1.41 H new ATOM 0 HE2 LYS A 37 9.363 2.087 -20.150 1.00 1.98 H new ATOM 0 HE3 LYS A 37 9.336 3.059 -18.692 1.00 1.98 H new ATOM 0 HZ1 LYS A 37 11.345 1.740 -18.827 1.00 2.60 H new ATOM 0 HZ2 LYS A 37 10.416 1.246 -17.494 1.00 2.60 H new ATOM 0 HZ3 LYS A 37 10.443 0.304 -18.907 1.00 2.60 H new ATOM 358 N GLU A 38 4.112 2.850 -15.704 1.00 0.54 N ATOM 359 CA GLU A 38 3.483 4.052 -15.168 1.00 0.68 C ATOM 360 C GLU A 38 4.475 4.849 -14.343 1.00 0.69 C ATOM 361 O GLU A 38 4.159 5.921 -13.825 1.00 1.03 O ATOM 362 CB GLU A 38 2.270 3.685 -14.315 1.00 0.79 C ATOM 363 CG GLU A 38 0.978 3.589 -15.105 1.00 1.36 C ATOM 364 CD GLU A 38 0.524 4.939 -15.614 1.00 1.41 C ATOM 365 OE1 GLU A 38 -0.027 5.723 -14.813 1.00 2.12 O ATOM 366 OE2 GLU A 38 0.725 5.232 -16.810 1.00 1.86 O ATOM 0 H GLU A 38 4.179 2.079 -15.039 1.00 0.54 H new ATOM 0 HA GLU A 38 3.151 4.666 -16.005 1.00 0.68 H new ATOM 0 HB2 GLU A 38 2.457 2.730 -13.824 1.00 0.79 H new ATOM 0 HB3 GLU A 38 2.151 4.430 -13.529 1.00 0.79 H new ATOM 0 HG2 GLU A 38 1.118 2.912 -15.948 1.00 1.36 H new ATOM 0 HG3 GLU A 38 0.199 3.158 -14.476 1.00 1.36 H new ATOM 373 N ILE A 39 5.671 4.311 -14.219 1.00 0.42 N ATOM 374 CA ILE A 39 6.718 4.956 -13.451 1.00 0.43 C ATOM 375 C ILE A 39 8.024 4.957 -14.244 1.00 0.48 C ATOM 376 O ILE A 39 8.245 4.085 -15.086 1.00 0.51 O ATOM 377 CB ILE A 39 6.900 4.248 -12.090 1.00 0.38 C ATOM 378 CG1 ILE A 39 7.595 5.167 -11.087 1.00 0.45 C ATOM 379 CG2 ILE A 39 7.675 2.945 -12.249 1.00 0.36 C ATOM 380 CD1 ILE A 39 7.496 4.678 -9.659 1.00 0.47 C ATOM 0 H ILE A 39 5.944 3.424 -14.642 1.00 0.42 H new ATOM 0 HA ILE A 39 6.431 5.990 -13.259 1.00 0.43 H new ATOM 0 HB ILE A 39 5.909 4.008 -11.705 1.00 0.38 H new ATOM 0 HG12 ILE A 39 8.646 5.262 -11.359 1.00 0.45 H new ATOM 0 HG13 ILE A 39 7.158 6.163 -11.154 1.00 0.45 H new ATOM 0 HG21 ILE A 39 7.788 2.468 -11.276 1.00 0.36 H new ATOM 0 HG22 ILE A 39 7.132 2.278 -12.919 1.00 0.36 H new ATOM 0 HG23 ILE A 39 8.660 3.156 -12.666 1.00 0.36 H new ATOM 0 HD11 ILE A 39 8.010 5.376 -8.999 1.00 0.47 H new ATOM 0 HD12 ILE A 39 6.447 4.610 -9.370 1.00 0.47 H new ATOM 0 HD13 ILE A 39 7.959 3.695 -9.578 1.00 0.47 H new ATOM 387 N SER A 40 8.868 5.948 -13.993 1.00 0.54 N ATOM 388 CA SER A 40 10.115 6.088 -14.726 1.00 0.62 C ATOM 389 C SER A 40 11.229 5.281 -14.060 1.00 0.53 C ATOM 390 O SER A 40 11.023 4.698 -12.994 1.00 0.48 O ATOM 391 CB SER A 40 10.504 7.566 -14.829 1.00 0.76 C ATOM 392 OG SER A 40 11.570 7.759 -15.746 1.00 1.82 O ATOM 0 H SER A 40 8.710 6.667 -13.287 1.00 0.54 H new ATOM 0 HA SER A 40 9.971 5.695 -15.733 1.00 0.62 H new ATOM 0 HB2 SER A 40 9.640 8.150 -15.146 1.00 0.76 H new ATOM 0 HB3 SER A 40 10.796 7.936 -13.846 1.00 0.76 H new ATOM 0 HG SER A 40 11.794 8.712 -15.791 1.00 1.82 H new ATOM 398 N GLU A 41 12.401 5.274 -14.689 1.00 0.59 N ATOM 399 CA GLU A 41 13.522 4.430 -14.275 1.00 0.60 C ATOM 400 C GLU A 41 13.862 4.597 -12.795 1.00 0.49 C ATOM 401 O GLU A 41 13.972 3.611 -12.062 1.00 0.46 O ATOM 402 CB GLU A 41 14.748 4.747 -15.129 1.00 0.78 C ATOM 403 CG GLU A 41 14.513 4.545 -16.615 1.00 1.07 C ATOM 404 CD GLU A 41 15.740 4.850 -17.445 1.00 1.43 C ATOM 405 OE1 GLU A 41 16.587 3.950 -17.613 1.00 2.19 O ATOM 406 OE2 GLU A 41 15.857 5.987 -17.947 1.00 1.99 O ATOM 0 H GLU A 41 12.602 5.855 -15.503 1.00 0.59 H new ATOM 0 HA GLU A 41 13.221 3.393 -14.422 1.00 0.60 H new ATOM 0 HB2 GLU A 41 15.048 5.780 -14.953 1.00 0.78 H new ATOM 0 HB3 GLU A 41 15.577 4.116 -14.810 1.00 0.78 H new ATOM 0 HG2 GLU A 41 14.205 3.515 -16.794 1.00 1.07 H new ATOM 0 HG3 GLU A 41 13.692 5.184 -16.939 1.00 1.07 H new ATOM 413 N ASP A 42 14.013 5.845 -12.359 1.00 0.52 N ATOM 414 CA ASP A 42 14.366 6.136 -10.969 1.00 0.52 C ATOM 415 C ASP A 42 13.360 5.523 -10.008 1.00 0.43 C ATOM 416 O ASP A 42 13.734 4.854 -9.042 1.00 0.47 O ATOM 417 CB ASP A 42 14.451 7.646 -10.723 1.00 0.62 C ATOM 418 CG ASP A 42 15.735 8.259 -11.247 1.00 1.50 C ATOM 419 OD1 ASP A 42 16.786 8.100 -10.591 1.00 2.30 O ATOM 420 OD2 ASP A 42 15.701 8.903 -12.316 1.00 2.21 O ATOM 0 H ASP A 42 13.897 6.671 -12.946 1.00 0.52 H new ATOM 0 HA ASP A 42 15.345 5.693 -10.787 1.00 0.52 H new ATOM 0 HB2 ASP A 42 13.601 8.135 -11.199 1.00 0.62 H new ATOM 0 HB3 ASP A 42 14.372 7.840 -9.653 1.00 0.62 H new ATOM 425 N GLY A 43 12.083 5.743 -10.283 1.00 0.39 N ATOM 426 CA GLY A 43 11.042 5.219 -9.427 1.00 0.37 C ATOM 427 C GLY A 43 10.928 3.713 -9.514 1.00 0.34 C ATOM 428 O GLY A 43 10.655 3.050 -8.515 1.00 0.35 O ATOM 0 H GLY A 43 11.750 6.276 -11.086 1.00 0.39 H new ATOM 0 HA2 GLY A 43 11.245 5.506 -8.395 1.00 0.37 H new ATOM 0 HA3 GLY A 43 10.088 5.669 -9.702 1.00 0.37 H new ATOM 432 N ALA A 44 11.143 3.176 -10.708 1.00 0.33 N ATOM 433 CA ALA A 44 11.065 1.740 -10.932 1.00 0.33 C ATOM 434 C ALA A 44 12.080 0.994 -10.075 1.00 0.32 C ATOM 435 O ALA A 44 11.726 0.064 -9.351 1.00 0.31 O ATOM 436 CB ALA A 44 11.272 1.425 -12.405 1.00 0.38 C ATOM 0 H ALA A 44 11.374 3.718 -11.541 1.00 0.33 H new ATOM 0 HA ALA A 44 10.071 1.403 -10.639 1.00 0.33 H new ATOM 0 HB1 ALA A 44 11.211 0.348 -12.559 1.00 0.38 H new ATOM 0 HB2 ALA A 44 10.500 1.920 -12.995 1.00 0.38 H new ATOM 0 HB3 ALA A 44 12.253 1.782 -12.719 1.00 0.38 H new ATOM 442 N ASP A 45 13.338 1.422 -10.139 1.00 0.36 N ATOM 443 CA ASP A 45 14.397 0.800 -9.344 1.00 0.38 C ATOM 444 C ASP A 45 14.169 1.043 -7.859 1.00 0.36 C ATOM 445 O ASP A 45 14.530 0.215 -7.020 1.00 0.37 O ATOM 446 CB ASP A 45 15.778 1.330 -9.741 1.00 0.48 C ATOM 447 CG ASP A 45 16.261 0.792 -11.074 1.00 1.11 C ATOM 448 OD1 ASP A 45 16.595 -0.408 -11.153 1.00 1.84 O ATOM 449 OD2 ASP A 45 16.326 1.572 -12.046 1.00 1.81 O ATOM 0 H ASP A 45 13.650 2.193 -10.730 1.00 0.36 H new ATOM 0 HA ASP A 45 14.365 -0.271 -9.543 1.00 0.38 H new ATOM 0 HB2 ASP A 45 15.744 2.419 -9.786 1.00 0.48 H new ATOM 0 HB3 ASP A 45 16.498 1.066 -8.967 1.00 0.48 H new ATOM 454 N SER A 46 13.566 2.178 -7.540 1.00 0.38 N ATOM 455 CA SER A 46 13.265 2.521 -6.159 1.00 0.41 C ATOM 456 C SER A 46 12.228 1.547 -5.595 1.00 0.36 C ATOM 457 O SER A 46 12.318 1.114 -4.445 1.00 0.39 O ATOM 458 CB SER A 46 12.755 3.963 -6.079 1.00 0.51 C ATOM 459 OG SER A 46 12.905 4.495 -4.777 1.00 0.98 O ATOM 0 H SER A 46 13.275 2.879 -8.221 1.00 0.38 H new ATOM 0 HA SER A 46 14.173 2.443 -5.561 1.00 0.41 H new ATOM 0 HB2 SER A 46 13.300 4.583 -6.791 1.00 0.51 H new ATOM 0 HB3 SER A 46 11.704 3.995 -6.367 1.00 0.51 H new ATOM 0 HG SER A 46 13.654 5.126 -4.766 1.00 0.98 H new ATOM 465 N LEU A 47 11.259 1.176 -6.424 1.00 0.32 N ATOM 466 CA LEU A 47 10.238 0.217 -6.023 1.00 0.30 C ATOM 467 C LEU A 47 10.817 -1.188 -5.908 1.00 0.27 C ATOM 468 O LEU A 47 10.271 -2.030 -5.203 1.00 0.29 O ATOM 469 CB LEU A 47 9.073 0.213 -7.017 1.00 0.30 C ATOM 470 CG LEU A 47 8.206 1.473 -7.021 1.00 0.35 C ATOM 471 CD1 LEU A 47 7.114 1.359 -8.073 1.00 0.39 C ATOM 472 CD2 LEU A 47 7.599 1.707 -5.645 1.00 0.41 C ATOM 0 H LEU A 47 11.159 1.525 -7.377 1.00 0.32 H new ATOM 0 HA LEU A 47 9.869 0.524 -5.044 1.00 0.30 H new ATOM 0 HB2 LEU A 47 9.474 0.066 -8.020 1.00 0.30 H new ATOM 0 HB3 LEU A 47 8.436 -0.644 -6.800 1.00 0.30 H new ATOM 0 HG LEU A 47 8.837 2.327 -7.267 1.00 0.35 H new ATOM 0 HD11 LEU A 47 6.505 2.263 -8.064 1.00 0.39 H new ATOM 0 HD12 LEU A 47 7.568 1.236 -9.057 1.00 0.39 H new ATOM 0 HD13 LEU A 47 6.486 0.496 -7.853 1.00 0.39 H new ATOM 0 HD21 LEU A 47 6.985 2.608 -5.666 1.00 0.41 H new ATOM 0 HD22 LEU A 47 6.980 0.853 -5.370 1.00 0.41 H new ATOM 0 HD23 LEU A 47 8.396 1.828 -4.912 1.00 0.41 H new ATOM 484 N ASN A 48 11.921 -1.437 -6.600 1.00 0.26 N ATOM 485 CA ASN A 48 12.545 -2.757 -6.586 1.00 0.26 C ATOM 486 C ASN A 48 13.176 -3.049 -5.229 1.00 0.28 C ATOM 487 O ASN A 48 12.934 -4.105 -4.644 1.00 0.32 O ATOM 488 CB ASN A 48 13.602 -2.882 -7.687 1.00 0.28 C ATOM 489 CG ASN A 48 13.018 -2.819 -9.088 1.00 0.33 C ATOM 490 OD1 ASN A 48 13.665 -2.339 -10.014 1.00 0.48 O ATOM 491 ND2 ASN A 48 11.799 -3.311 -9.259 1.00 0.40 N ATOM 0 H ASN A 48 12.403 -0.747 -7.176 1.00 0.26 H new ATOM 0 HA ASN A 48 11.760 -3.489 -6.773 1.00 0.26 H new ATOM 0 HB2 ASN A 48 14.335 -2.084 -7.570 1.00 0.28 H new ATOM 0 HB3 ASN A 48 14.135 -3.825 -7.565 1.00 0.28 H new ATOM 0 HD21 ASN A 48 11.369 -3.298 -10.184 1.00 0.40 H new ATOM 0 HD22 ASN A 48 11.291 -3.702 -8.466 1.00 0.40 H new ATOM 498 N VAL A 49 13.976 -2.114 -4.720 1.00 0.27 N ATOM 499 CA VAL A 49 14.593 -2.289 -3.407 1.00 0.29 C ATOM 500 C VAL A 49 13.518 -2.319 -2.322 1.00 0.30 C ATOM 501 O VAL A 49 13.586 -3.119 -1.389 1.00 0.32 O ATOM 502 CB VAL A 49 15.649 -1.192 -3.091 1.00 0.32 C ATOM 503 CG1 VAL A 49 15.058 0.205 -3.184 1.00 0.34 C ATOM 504 CG2 VAL A 49 16.264 -1.414 -1.713 1.00 0.36 C ATOM 0 H VAL A 49 14.210 -1.239 -5.189 1.00 0.27 H new ATOM 0 HA VAL A 49 15.122 -3.242 -3.425 1.00 0.29 H new ATOM 0 HB VAL A 49 16.433 -1.273 -3.844 1.00 0.32 H new ATOM 0 HG11 VAL A 49 15.828 0.942 -2.956 1.00 0.34 H new ATOM 0 HG12 VAL A 49 14.681 0.374 -4.193 1.00 0.34 H new ATOM 0 HG13 VAL A 49 14.240 0.302 -2.470 1.00 0.34 H new ATOM 0 HG21 VAL A 49 17.000 -0.635 -1.513 1.00 0.36 H new ATOM 0 HG22 VAL A 49 15.481 -1.377 -0.955 1.00 0.36 H new ATOM 0 HG23 VAL A 49 16.751 -2.389 -1.685 1.00 0.36 H new ATOM 508 N ALA A 50 12.506 -1.473 -2.477 1.00 0.30 N ATOM 509 CA ALA A 50 11.396 -1.430 -1.539 1.00 0.34 C ATOM 510 C ALA A 50 10.621 -2.742 -1.562 1.00 0.34 C ATOM 511 O ALA A 50 10.176 -3.224 -0.527 1.00 0.37 O ATOM 512 CB ALA A 50 10.475 -0.264 -1.862 1.00 0.37 C ATOM 0 H ALA A 50 12.433 -0.807 -3.246 1.00 0.30 H new ATOM 0 HA ALA A 50 11.799 -1.288 -0.536 1.00 0.34 H new ATOM 0 HB1 ALA A 50 9.649 -0.245 -1.151 1.00 0.37 H new ATOM 0 HB2 ALA A 50 11.033 0.670 -1.795 1.00 0.37 H new ATOM 0 HB3 ALA A 50 10.082 -0.380 -2.872 1.00 0.37 H new ATOM 518 N MET A 51 10.490 -3.318 -2.754 1.00 0.34 N ATOM 519 CA MET A 51 9.745 -4.560 -2.958 1.00 0.39 C ATOM 520 C MET A 51 10.228 -5.658 -2.022 1.00 0.31 C ATOM 521 O MET A 51 9.432 -6.306 -1.335 1.00 0.30 O ATOM 522 CB MET A 51 9.904 -5.023 -4.406 1.00 0.52 C ATOM 523 CG MET A 51 8.925 -6.106 -4.822 1.00 0.62 C ATOM 524 SD MET A 51 7.213 -5.544 -4.756 1.00 0.65 S ATOM 525 CE MET A 51 7.361 -3.940 -5.539 1.00 0.41 C ATOM 0 H MET A 51 10.898 -2.937 -3.608 1.00 0.34 H new ATOM 0 HA MET A 51 8.695 -4.362 -2.741 1.00 0.39 H new ATOM 0 HB2 MET A 51 9.781 -4.164 -5.066 1.00 0.52 H new ATOM 0 HB3 MET A 51 10.920 -5.392 -4.549 1.00 0.52 H new ATOM 0 HG2 MET A 51 9.158 -6.434 -5.835 1.00 0.62 H new ATOM 0 HG3 MET A 51 9.046 -6.972 -4.171 1.00 0.62 H new ATOM 0 HE1 MET A 51 6.412 -3.673 -6.005 1.00 0.41 H new ATOM 0 HE2 MET A 51 7.620 -3.192 -4.790 1.00 0.41 H new ATOM 0 HE3 MET A 51 8.141 -3.977 -6.300 1.00 0.41 H new ATOM 535 N ASP A 52 11.538 -5.862 -1.997 1.00 0.31 N ATOM 536 CA ASP A 52 12.134 -6.887 -1.151 1.00 0.32 C ATOM 537 C ASP A 52 11.916 -6.554 0.318 1.00 0.28 C ATOM 538 O ASP A 52 11.634 -7.436 1.125 1.00 0.30 O ATOM 539 CB ASP A 52 13.631 -7.024 -1.438 1.00 0.42 C ATOM 540 CG ASP A 52 14.276 -8.135 -0.629 1.00 1.16 C ATOM 541 OD1 ASP A 52 14.214 -9.304 -1.061 1.00 1.84 O ATOM 542 OD2 ASP A 52 14.852 -7.849 0.440 1.00 1.99 O ATOM 0 H ASP A 52 12.208 -5.331 -2.553 1.00 0.31 H new ATOM 0 HA ASP A 52 11.649 -7.837 -1.375 1.00 0.32 H new ATOM 0 HB2 ASP A 52 13.778 -7.219 -2.500 1.00 0.42 H new ATOM 0 HB3 ASP A 52 14.129 -6.080 -1.215 1.00 0.42 H new ATOM 547 N CYS A 53 12.020 -5.275 0.649 1.00 0.27 N ATOM 548 CA CYS A 53 11.875 -4.823 2.025 1.00 0.27 C ATOM 549 C CYS A 53 10.438 -4.987 2.524 1.00 0.29 C ATOM 550 O CYS A 53 10.219 -5.407 3.657 1.00 0.36 O ATOM 551 CB CYS A 53 12.325 -3.369 2.146 1.00 0.36 C ATOM 552 SG CYS A 53 14.055 -3.112 1.695 1.00 1.05 S ATOM 0 H CYS A 53 12.205 -4.528 -0.021 1.00 0.27 H new ATOM 0 HA CYS A 53 12.510 -5.446 2.654 1.00 0.27 H new ATOM 0 HB2 CYS A 53 11.695 -2.748 1.509 1.00 0.36 H new ATOM 0 HB3 CYS A 53 12.171 -3.033 3.171 1.00 0.36 H new ATOM 0 HG CYS A 53 14.165 -3.073 0.400 1.00 1.05 H new ATOM 558 N ILE A 54 9.460 -4.668 1.678 1.00 0.26 N ATOM 559 CA ILE A 54 8.056 -4.847 2.043 1.00 0.29 C ATOM 560 C ILE A 54 7.785 -6.318 2.341 1.00 0.30 C ATOM 561 O ILE A 54 7.193 -6.665 3.365 1.00 0.33 O ATOM 562 CB ILE A 54 7.098 -4.377 0.924 1.00 0.29 C ATOM 563 CG1 ILE A 54 7.396 -2.929 0.525 1.00 0.31 C ATOM 564 CG2 ILE A 54 5.649 -4.507 1.384 1.00 0.33 C ATOM 565 CD1 ILE A 54 6.693 -2.489 -0.745 1.00 0.34 C ATOM 0 H ILE A 54 9.611 -4.288 0.744 1.00 0.26 H new ATOM 0 HA ILE A 54 7.871 -4.236 2.926 1.00 0.29 H new ATOM 0 HB ILE A 54 7.253 -5.012 0.052 1.00 0.29 H new ATOM 0 HG12 ILE A 54 7.101 -2.269 1.340 1.00 0.31 H new ATOM 0 HG13 ILE A 54 8.472 -2.812 0.393 1.00 0.31 H new ATOM 0 HG21 ILE A 54 4.983 -4.173 0.588 1.00 0.33 H new ATOM 0 HG22 ILE A 54 5.435 -5.549 1.623 1.00 0.33 H new ATOM 0 HG23 ILE A 54 5.492 -3.892 2.270 1.00 0.33 H new ATOM 0 HD11 ILE A 54 6.952 -1.453 -0.964 1.00 0.34 H new ATOM 0 HD12 ILE A 54 7.007 -3.124 -1.573 1.00 0.34 H new ATOM 0 HD13 ILE A 54 5.614 -2.573 -0.612 1.00 0.34 H new ATOM 572 N SER A 55 8.255 -7.177 1.447 1.00 0.30 N ATOM 573 CA SER A 55 8.102 -8.614 1.600 1.00 0.36 C ATOM 574 C SER A 55 8.827 -9.100 2.858 1.00 0.38 C ATOM 575 O SER A 55 8.276 -9.864 3.655 1.00 0.41 O ATOM 576 CB SER A 55 8.656 -9.319 0.359 1.00 0.40 C ATOM 577 OG SER A 55 8.083 -8.786 -0.825 1.00 0.80 O ATOM 0 H SER A 55 8.750 -6.898 0.600 1.00 0.30 H new ATOM 0 HA SER A 55 7.043 -8.851 1.706 1.00 0.36 H new ATOM 0 HB2 SER A 55 9.740 -9.207 0.326 1.00 0.40 H new ATOM 0 HB3 SER A 55 8.448 -10.387 0.419 1.00 0.40 H new ATOM 0 HG SER A 55 8.535 -7.948 -1.059 1.00 0.80 H new ATOM 583 N GLU A 56 10.053 -8.623 3.031 1.00 0.39 N ATOM 584 CA GLU A 56 10.889 -8.974 4.174 1.00 0.48 C ATOM 585 C GLU A 56 10.239 -8.549 5.488 1.00 0.43 C ATOM 586 O GLU A 56 10.237 -9.303 6.462 1.00 0.46 O ATOM 587 CB GLU A 56 12.251 -8.294 4.026 1.00 0.60 C ATOM 588 CG GLU A 56 13.206 -8.529 5.181 1.00 0.83 C ATOM 589 CD GLU A 56 14.480 -7.726 5.027 1.00 1.81 C ATOM 590 OE1 GLU A 56 15.416 -8.210 4.359 1.00 2.38 O ATOM 591 OE2 GLU A 56 14.542 -6.595 5.546 1.00 2.66 O ATOM 0 H GLU A 56 10.499 -7.978 2.379 1.00 0.39 H new ATOM 0 HA GLU A 56 11.011 -10.057 4.196 1.00 0.48 H new ATOM 0 HB2 GLU A 56 12.720 -8.646 3.107 1.00 0.60 H new ATOM 0 HB3 GLU A 56 12.096 -7.221 3.913 1.00 0.60 H new ATOM 0 HG2 GLU A 56 12.717 -8.260 6.118 1.00 0.83 H new ATOM 0 HG3 GLU A 56 13.450 -9.590 5.242 1.00 0.83 H new ATOM 598 N ALA A 57 9.690 -7.342 5.499 1.00 0.39 N ATOM 599 CA ALA A 57 9.081 -6.773 6.693 1.00 0.39 C ATOM 600 C ALA A 57 7.933 -7.632 7.210 1.00 0.33 C ATOM 601 O ALA A 57 7.832 -7.890 8.410 1.00 0.39 O ATOM 602 CB ALA A 57 8.597 -5.360 6.411 1.00 0.42 C ATOM 0 H ALA A 57 9.654 -6.731 4.683 1.00 0.39 H new ATOM 0 HA ALA A 57 9.844 -6.744 7.471 1.00 0.39 H new ATOM 0 HB1 ALA A 57 8.143 -4.944 7.311 1.00 0.42 H new ATOM 0 HB2 ALA A 57 9.441 -4.739 6.110 1.00 0.42 H new ATOM 0 HB3 ALA A 57 7.859 -5.381 5.609 1.00 0.42 H new ATOM 608 N PHE A 58 7.079 -8.078 6.304 1.00 0.29 N ATOM 609 CA PHE A 58 5.919 -8.873 6.683 1.00 0.28 C ATOM 610 C PHE A 58 6.280 -10.347 6.832 1.00 0.30 C ATOM 611 O PHE A 58 5.647 -11.082 7.591 1.00 0.38 O ATOM 612 CB PHE A 58 4.800 -8.698 5.659 1.00 0.26 C ATOM 613 CG PHE A 58 4.127 -7.356 5.727 1.00 0.25 C ATOM 614 CD1 PHE A 58 4.777 -6.210 5.298 1.00 1.24 C ATOM 615 CD2 PHE A 58 2.842 -7.244 6.227 1.00 1.18 C ATOM 616 CE1 PHE A 58 4.156 -4.980 5.366 1.00 1.22 C ATOM 617 CE2 PHE A 58 2.215 -6.015 6.298 1.00 1.22 C ATOM 618 CZ PHE A 58 2.873 -4.882 5.867 1.00 0.28 C ATOM 0 H PHE A 58 7.165 -7.905 5.303 1.00 0.29 H new ATOM 0 HA PHE A 58 5.570 -8.517 7.652 1.00 0.28 H new ATOM 0 HB2 PHE A 58 5.209 -8.840 4.659 1.00 0.26 H new ATOM 0 HB3 PHE A 58 4.054 -9.478 5.812 1.00 0.26 H new ATOM 0 HD1 PHE A 58 5.781 -6.280 4.906 1.00 1.24 H new ATOM 0 HD2 PHE A 58 2.323 -8.128 6.566 1.00 1.18 H new ATOM 0 HE1 PHE A 58 4.673 -4.094 5.028 1.00 1.22 H new ATOM 0 HE2 PHE A 58 1.211 -5.942 6.690 1.00 1.22 H new ATOM 0 HZ PHE A 58 2.386 -3.920 5.921 1.00 0.28 H new ATOM 628 N GLY A 59 7.305 -10.771 6.107 1.00 0.34 N ATOM 629 CA GLY A 59 7.790 -12.129 6.241 1.00 0.39 C ATOM 630 C GLY A 59 7.295 -13.048 5.144 1.00 0.38 C ATOM 631 O GLY A 59 7.027 -14.226 5.386 1.00 0.43 O ATOM 0 H GLY A 59 7.809 -10.199 5.429 1.00 0.34 H new ATOM 0 HA2 GLY A 59 8.880 -12.121 6.236 1.00 0.39 H new ATOM 0 HA3 GLY A 59 7.479 -12.526 7.207 1.00 0.39 H new ATOM 635 N PHE A 60 7.171 -12.525 3.937 1.00 0.35 N ATOM 636 CA PHE A 60 6.759 -13.337 2.805 1.00 0.39 C ATOM 637 C PHE A 60 7.702 -13.104 1.635 1.00 0.40 C ATOM 638 O PHE A 60 8.453 -12.130 1.618 1.00 0.42 O ATOM 639 CB PHE A 60 5.305 -13.041 2.402 1.00 0.40 C ATOM 640 CG PHE A 60 5.072 -11.677 1.806 1.00 0.31 C ATOM 641 CD1 PHE A 60 4.790 -10.591 2.614 1.00 1.19 C ATOM 642 CD2 PHE A 60 5.117 -11.490 0.432 1.00 1.22 C ATOM 643 CE1 PHE A 60 4.562 -9.341 2.065 1.00 1.22 C ATOM 644 CE2 PHE A 60 4.888 -10.246 -0.122 1.00 1.20 C ATOM 645 CZ PHE A 60 4.610 -9.170 0.696 1.00 0.33 C ATOM 0 H PHE A 60 7.349 -11.545 3.715 1.00 0.35 H new ATOM 0 HA PHE A 60 6.808 -14.386 3.098 1.00 0.39 H new ATOM 0 HB2 PHE A 60 4.983 -13.794 1.683 1.00 0.40 H new ATOM 0 HB3 PHE A 60 4.671 -13.149 3.282 1.00 0.40 H new ATOM 0 HD1 PHE A 60 4.747 -10.719 3.685 1.00 1.19 H new ATOM 0 HD2 PHE A 60 5.334 -12.329 -0.213 1.00 1.22 H new ATOM 0 HE1 PHE A 60 4.347 -8.500 2.707 1.00 1.22 H new ATOM 0 HE2 PHE A 60 4.926 -10.115 -1.193 1.00 1.20 H new ATOM 0 HZ PHE A 60 4.430 -8.196 0.266 1.00 0.33 H new ATOM 655 N GLU A 61 7.678 -14.011 0.678 1.00 0.48 N ATOM 656 CA GLU A 61 8.542 -13.917 -0.485 1.00 0.55 C ATOM 657 C GLU A 61 7.847 -13.118 -1.579 1.00 0.50 C ATOM 658 O GLU A 61 6.625 -13.164 -1.715 1.00 0.48 O ATOM 659 CB GLU A 61 8.902 -15.313 -1.012 1.00 0.70 C ATOM 660 CG GLU A 61 9.554 -16.233 0.016 1.00 0.81 C ATOM 661 CD GLU A 61 8.574 -16.768 1.043 1.00 1.48 C ATOM 662 OE1 GLU A 61 7.685 -17.557 0.663 1.00 2.33 O ATOM 663 OE2 GLU A 61 8.688 -16.401 2.230 1.00 2.05 O ATOM 0 H GLU A 61 7.066 -14.827 0.683 1.00 0.48 H new ATOM 0 HA GLU A 61 9.462 -13.411 -0.191 1.00 0.55 H new ATOM 0 HB2 GLU A 61 7.996 -15.791 -1.384 1.00 0.70 H new ATOM 0 HB3 GLU A 61 9.577 -15.203 -1.861 1.00 0.70 H new ATOM 0 HG2 GLU A 61 10.023 -17.071 -0.501 1.00 0.81 H new ATOM 0 HG3 GLU A 61 10.348 -15.690 0.529 1.00 0.81 H new ATOM 670 N ARG A 62 8.638 -12.398 -2.361 1.00 0.54 N ATOM 671 CA ARG A 62 8.122 -11.574 -3.450 1.00 0.53 C ATOM 672 C ARG A 62 7.418 -12.436 -4.496 1.00 0.53 C ATOM 673 O ARG A 62 6.523 -11.973 -5.195 1.00 0.64 O ATOM 674 CB ARG A 62 9.271 -10.796 -4.092 1.00 0.63 C ATOM 675 CG ARG A 62 8.858 -9.923 -5.266 1.00 1.40 C ATOM 676 CD ARG A 62 10.066 -9.546 -6.102 1.00 1.46 C ATOM 677 NE ARG A 62 10.786 -10.739 -6.540 1.00 2.25 N ATOM 678 CZ ARG A 62 12.099 -10.797 -6.741 1.00 2.60 C ATOM 679 NH1 ARG A 62 12.844 -9.703 -6.647 1.00 2.13 N ATOM 680 NH2 ARG A 62 12.661 -11.958 -7.045 1.00 3.67 N ATOM 0 H ARG A 62 9.653 -12.367 -2.261 1.00 0.54 H new ATOM 0 HA ARG A 62 7.393 -10.872 -3.044 1.00 0.53 H new ATOM 0 HB2 ARG A 62 9.737 -10.167 -3.333 1.00 0.63 H new ATOM 0 HB3 ARG A 62 10.029 -11.503 -4.429 1.00 0.63 H new ATOM 0 HG2 ARG A 62 8.133 -10.454 -5.883 1.00 1.40 H new ATOM 0 HG3 ARG A 62 8.366 -9.021 -4.900 1.00 1.40 H new ATOM 0 HD2 ARG A 62 9.747 -8.969 -6.970 1.00 1.46 H new ATOM 0 HD3 ARG A 62 10.731 -8.907 -5.521 1.00 1.46 H new ATOM 0 HE ARG A 62 10.243 -11.587 -6.703 1.00 2.25 H new ATOM 0 HH11 ARG A 62 12.410 -8.809 -6.419 1.00 2.13 H new ATOM 0 HH12 ARG A 62 13.851 -9.757 -6.803 1.00 2.13 H new ATOM 0 HH21 ARG A 62 12.087 -12.798 -7.123 1.00 3.67 H new ATOM 0 HH22 ARG A 62 13.668 -12.012 -7.201 1.00 3.67 H new ATOM 694 N GLU A 63 7.826 -13.693 -4.596 1.00 0.58 N ATOM 695 CA GLU A 63 7.183 -14.631 -5.508 1.00 0.64 C ATOM 696 C GLU A 63 6.025 -15.349 -4.822 1.00 0.63 C ATOM 697 O GLU A 63 5.289 -16.107 -5.451 1.00 0.75 O ATOM 698 CB GLU A 63 8.192 -15.653 -6.041 1.00 0.74 C ATOM 699 CG GLU A 63 8.990 -15.170 -7.245 1.00 1.70 C ATOM 700 CD GLU A 63 9.798 -13.921 -6.972 1.00 2.53 C ATOM 701 OE1 GLU A 63 10.930 -14.034 -6.462 1.00 3.20 O ATOM 702 OE2 GLU A 63 9.309 -12.815 -7.277 1.00 3.12 O ATOM 0 H GLU A 63 8.598 -14.087 -4.058 1.00 0.58 H new ATOM 0 HA GLU A 63 6.789 -14.060 -6.349 1.00 0.64 H new ATOM 0 HB2 GLU A 63 8.885 -15.915 -5.241 1.00 0.74 H new ATOM 0 HB3 GLU A 63 7.660 -16.565 -6.313 1.00 0.74 H new ATOM 0 HG2 GLU A 63 9.662 -15.965 -7.568 1.00 1.70 H new ATOM 0 HG3 GLU A 63 8.305 -14.977 -8.071 1.00 1.70 H new ATOM 709 N ALA A 64 5.856 -15.096 -3.532 1.00 0.55 N ATOM 710 CA ALA A 64 4.807 -15.748 -2.760 1.00 0.60 C ATOM 711 C ALA A 64 3.536 -14.913 -2.749 1.00 0.54 C ATOM 712 O ALA A 64 2.493 -15.364 -2.280 1.00 0.57 O ATOM 713 CB ALA A 64 5.274 -16.017 -1.340 1.00 0.67 C ATOM 0 H ALA A 64 6.431 -14.445 -2.998 1.00 0.55 H new ATOM 0 HA ALA A 64 4.584 -16.701 -3.239 1.00 0.60 H new ATOM 0 HB1 ALA A 64 4.475 -16.504 -0.781 1.00 0.67 H new ATOM 0 HB2 ALA A 64 6.150 -16.665 -1.362 1.00 0.67 H new ATOM 0 HB3 ALA A 64 5.532 -15.074 -0.857 1.00 0.67 H new ATOM 719 N VAL A 65 3.622 -13.695 -3.274 1.00 0.51 N ATOM 720 CA VAL A 65 2.459 -12.819 -3.353 1.00 0.47 C ATOM 721 C VAL A 65 1.370 -13.454 -4.218 1.00 0.53 C ATOM 722 O VAL A 65 0.179 -13.304 -3.942 1.00 0.54 O ATOM 723 CB VAL A 65 2.827 -11.415 -3.896 1.00 0.47 C ATOM 724 CG1 VAL A 65 3.510 -11.504 -5.246 1.00 0.51 C ATOM 725 CG2 VAL A 65 1.599 -10.525 -3.991 1.00 0.50 C ATOM 0 H VAL A 65 4.481 -13.294 -3.650 1.00 0.51 H new ATOM 0 HA VAL A 65 2.079 -12.690 -2.339 1.00 0.47 H new ATOM 0 HB VAL A 65 3.526 -10.970 -3.188 1.00 0.47 H new ATOM 0 HG11 VAL A 65 3.754 -10.501 -5.597 1.00 0.51 H new ATOM 0 HG12 VAL A 65 4.425 -12.089 -5.153 1.00 0.51 H new ATOM 0 HG13 VAL A 65 2.843 -11.986 -5.960 1.00 0.51 H new ATOM 0 HG21 VAL A 65 1.888 -9.547 -4.375 1.00 0.50 H new ATOM 0 HG22 VAL A 65 0.872 -10.979 -4.664 1.00 0.50 H new ATOM 0 HG23 VAL A 65 1.155 -10.410 -3.002 1.00 0.50 H new ATOM 729 N SER A 66 1.788 -14.196 -5.239 1.00 0.63 N ATOM 730 CA SER A 66 0.856 -14.902 -6.105 1.00 0.75 C ATOM 731 C SER A 66 0.094 -15.959 -5.308 1.00 0.76 C ATOM 732 O SER A 66 -1.088 -16.205 -5.551 1.00 0.84 O ATOM 733 CB SER A 66 1.604 -15.547 -7.277 1.00 0.89 C ATOM 734 OG SER A 66 0.705 -16.148 -8.195 1.00 1.63 O ATOM 0 H SER A 66 2.770 -14.323 -5.486 1.00 0.63 H new ATOM 0 HA SER A 66 0.138 -14.187 -6.507 1.00 0.75 H new ATOM 0 HB2 SER A 66 2.200 -14.792 -7.790 1.00 0.89 H new ATOM 0 HB3 SER A 66 2.297 -16.298 -6.899 1.00 0.89 H new ATOM 0 HG SER A 66 1.210 -16.550 -8.932 1.00 1.63 H new ATOM 740 N GLY A 67 0.775 -16.565 -4.342 1.00 0.73 N ATOM 741 CA GLY A 67 0.139 -17.547 -3.490 1.00 0.75 C ATOM 742 C GLY A 67 -0.815 -16.901 -2.508 1.00 0.70 C ATOM 743 O GLY A 67 -1.916 -17.397 -2.287 1.00 0.76 O ATOM 0 H GLY A 67 1.759 -16.392 -4.135 1.00 0.73 H new ATOM 0 HA2 GLY A 67 -0.403 -18.266 -4.105 1.00 0.75 H new ATOM 0 HA3 GLY A 67 0.901 -18.104 -2.945 1.00 0.75 H new ATOM 747 N ILE A 68 -0.394 -15.781 -1.931 1.00 0.63 N ATOM 748 CA ILE A 68 -1.231 -15.037 -0.997 1.00 0.59 C ATOM 749 C ILE A 68 -2.503 -14.549 -1.688 1.00 0.63 C ATOM 750 O ILE A 68 -3.609 -14.743 -1.185 1.00 0.71 O ATOM 751 CB ILE A 68 -0.477 -13.828 -0.398 1.00 0.51 C ATOM 752 CG1 ILE A 68 0.797 -14.294 0.313 1.00 0.50 C ATOM 753 CG2 ILE A 68 -1.375 -13.062 0.567 1.00 0.50 C ATOM 754 CD1 ILE A 68 1.636 -13.160 0.862 1.00 0.45 C ATOM 0 H ILE A 68 0.524 -15.368 -2.094 1.00 0.63 H new ATOM 0 HA ILE A 68 -1.494 -15.717 -0.187 1.00 0.59 H new ATOM 0 HB ILE A 68 -0.196 -13.159 -1.211 1.00 0.51 H new ATOM 0 HG12 ILE A 68 0.523 -14.961 1.131 1.00 0.50 H new ATOM 0 HG13 ILE A 68 1.400 -14.876 -0.384 1.00 0.50 H new ATOM 0 HG21 ILE A 68 -0.827 -12.214 0.979 1.00 0.50 H new ATOM 0 HG22 ILE A 68 -2.256 -12.701 0.036 1.00 0.50 H new ATOM 0 HG23 ILE A 68 -1.685 -13.722 1.377 1.00 0.50 H new ATOM 0 HD11 ILE A 68 2.521 -13.566 1.351 1.00 0.45 H new ATOM 0 HD12 ILE A 68 1.941 -12.505 0.046 1.00 0.45 H new ATOM 0 HD13 ILE A 68 1.051 -12.591 1.585 1.00 0.45 H new ATOM 761 N LEU A 69 -2.343 -13.950 -2.862 1.00 0.62 N ATOM 762 CA LEU A 69 -3.478 -13.431 -3.620 1.00 0.67 C ATOM 763 C LEU A 69 -4.244 -14.556 -4.313 1.00 0.85 C ATOM 764 O LEU A 69 -5.178 -14.309 -5.074 1.00 1.14 O ATOM 765 CB LEU A 69 -3.010 -12.399 -4.649 1.00 0.62 C ATOM 766 CG LEU A 69 -2.381 -11.135 -4.058 1.00 0.47 C ATOM 767 CD1 LEU A 69 -1.944 -10.188 -5.162 1.00 0.50 C ATOM 768 CD2 LEU A 69 -3.356 -10.442 -3.118 1.00 0.45 C ATOM 0 H LEU A 69 -1.438 -13.811 -3.311 1.00 0.62 H new ATOM 0 HA LEU A 69 -4.153 -12.946 -2.915 1.00 0.67 H new ATOM 0 HB2 LEU A 69 -2.285 -12.872 -5.311 1.00 0.62 H new ATOM 0 HB3 LEU A 69 -3.862 -12.109 -5.264 1.00 0.62 H new ATOM 0 HG LEU A 69 -1.500 -11.427 -3.487 1.00 0.47 H new ATOM 0 HD11 LEU A 69 -1.499 -9.296 -4.721 1.00 0.50 H new ATOM 0 HD12 LEU A 69 -1.210 -10.684 -5.797 1.00 0.50 H new ATOM 0 HD13 LEU A 69 -2.809 -9.904 -5.761 1.00 0.50 H new ATOM 0 HD21 LEU A 69 -2.891 -9.546 -2.708 1.00 0.45 H new ATOM 0 HD22 LEU A 69 -4.256 -10.165 -3.667 1.00 0.45 H new ATOM 0 HD23 LEU A 69 -3.620 -11.118 -2.305 1.00 0.45 H new ATOM 780 N GLY A 70 -3.830 -15.788 -4.052 1.00 0.81 N ATOM 781 CA GLY A 70 -4.536 -16.940 -4.571 1.00 0.94 C ATOM 782 C GLY A 70 -4.995 -17.853 -3.455 1.00 0.99 C ATOM 783 O GLY A 70 -5.373 -19.001 -3.688 1.00 1.25 O ATOM 0 H GLY A 70 -3.011 -16.010 -3.486 1.00 0.81 H new ATOM 0 HA2 GLY A 70 -5.398 -16.610 -5.151 1.00 0.94 H new ATOM 0 HA3 GLY A 70 -3.886 -17.491 -5.251 1.00 0.94 H new ATOM 787 N LYS A 71 -4.964 -17.335 -2.235 1.00 0.87 N ATOM 788 CA LYS A 71 -5.351 -18.102 -1.060 1.00 0.98 C ATOM 789 C LYS A 71 -6.140 -17.227 -0.096 1.00 0.99 C ATOM 790 O LYS A 71 -7.213 -17.606 0.372 1.00 1.26 O ATOM 791 CB LYS A 71 -4.110 -18.661 -0.361 1.00 1.11 C ATOM 792 CG LYS A 71 -4.427 -19.579 0.810 1.00 1.69 C ATOM 793 CD LYS A 71 -3.165 -20.018 1.537 1.00 2.11 C ATOM 794 CE LYS A 71 -2.212 -20.768 0.620 1.00 2.60 C ATOM 795 NZ LYS A 71 -0.986 -21.205 1.337 1.00 3.16 N ATOM 0 H LYS A 71 -4.672 -16.379 -2.033 1.00 0.87 H new ATOM 0 HA LYS A 71 -5.981 -18.932 -1.379 1.00 0.98 H new ATOM 0 HB2 LYS A 71 -3.510 -19.209 -1.088 1.00 1.11 H new ATOM 0 HB3 LYS A 71 -3.500 -17.831 -0.005 1.00 1.11 H new ATOM 0 HG2 LYS A 71 -5.089 -19.065 1.507 1.00 1.69 H new ATOM 0 HG3 LYS A 71 -4.964 -20.457 0.450 1.00 1.69 H new ATOM 0 HD2 LYS A 71 -2.660 -19.144 1.948 1.00 2.11 H new ATOM 0 HD3 LYS A 71 -3.435 -20.655 2.379 1.00 2.11 H new ATOM 0 HE2 LYS A 71 -2.719 -21.638 0.202 1.00 2.60 H new ATOM 0 HE3 LYS A 71 -1.935 -20.128 -0.218 1.00 2.60 H new ATOM 0 HZ1 LYS A 71 -0.361 -21.713 0.679 1.00 3.16 H new ATOM 0 HZ2 LYS A 71 -0.489 -20.373 1.714 1.00 3.16 H new ATOM 0 HZ3 LYS A 71 -1.249 -21.836 2.121 1.00 3.16 H new ATOM 809 N SER A 72 -5.599 -16.053 0.195 1.00 0.92 N ATOM 810 CA SER A 72 -6.252 -15.105 1.082 1.00 1.08 C ATOM 811 C SER A 72 -7.376 -14.377 0.341 1.00 1.04 C ATOM 812 O SER A 72 -7.519 -14.512 -0.873 1.00 1.21 O ATOM 813 CB SER A 72 -5.216 -14.120 1.618 1.00 1.30 C ATOM 814 OG SER A 72 -4.110 -14.809 2.183 1.00 2.02 O ATOM 0 H SER A 72 -4.703 -15.734 -0.174 1.00 0.92 H new ATOM 0 HA SER A 72 -6.698 -15.635 1.924 1.00 1.08 H new ATOM 0 HB2 SER A 72 -4.873 -13.472 0.812 1.00 1.30 H new ATOM 0 HB3 SER A 72 -5.673 -13.478 2.371 1.00 1.30 H new ATOM 0 HG SER A 72 -3.971 -14.505 3.104 1.00 2.02 H new ATOM 820 N GLU A 73 -8.163 -13.600 1.083 1.00 1.13 N ATOM 821 CA GLU A 73 -9.469 -13.135 0.615 1.00 1.31 C ATOM 822 C GLU A 73 -9.387 -12.050 -0.450 1.00 1.26 C ATOM 823 O GLU A 73 -10.326 -11.881 -1.233 1.00 1.87 O ATOM 824 CB GLU A 73 -10.295 -12.626 1.794 1.00 1.67 C ATOM 825 CG GLU A 73 -10.726 -13.726 2.743 1.00 1.87 C ATOM 826 CD GLU A 73 -11.577 -14.772 2.058 1.00 2.12 C ATOM 827 OE1 GLU A 73 -12.787 -14.530 1.870 1.00 2.46 O ATOM 828 OE2 GLU A 73 -11.039 -15.837 1.698 1.00 2.64 O ATOM 0 H GLU A 73 -7.917 -13.277 2.019 1.00 1.13 H new ATOM 0 HA GLU A 73 -9.949 -13.997 0.151 1.00 1.31 H new ATOM 0 HB2 GLU A 73 -9.712 -11.888 2.345 1.00 1.67 H new ATOM 0 HB3 GLU A 73 -11.180 -12.115 1.415 1.00 1.67 H new ATOM 0 HG2 GLU A 73 -9.843 -14.201 3.170 1.00 1.87 H new ATOM 0 HG3 GLU A 73 -11.285 -13.290 3.571 1.00 1.87 H new ATOM 835 N PHE A 74 -8.283 -11.325 -0.493 1.00 1.04 N ATOM 836 CA PHE A 74 -8.161 -10.194 -1.403 1.00 1.02 C ATOM 837 C PHE A 74 -7.621 -10.612 -2.768 1.00 1.08 C ATOM 838 O PHE A 74 -6.582 -10.132 -3.219 1.00 1.45 O ATOM 839 CB PHE A 74 -7.290 -9.102 -0.784 1.00 0.94 C ATOM 840 CG PHE A 74 -7.992 -8.338 0.306 1.00 0.96 C ATOM 841 CD1 PHE A 74 -8.068 -8.847 1.591 1.00 1.18 C ATOM 842 CD2 PHE A 74 -8.585 -7.115 0.036 1.00 1.61 C ATOM 843 CE1 PHE A 74 -8.720 -8.149 2.588 1.00 1.25 C ATOM 844 CE2 PHE A 74 -9.238 -6.413 1.029 1.00 1.70 C ATOM 845 CZ PHE A 74 -9.306 -6.930 2.308 1.00 1.19 C ATOM 0 H PHE A 74 -7.461 -11.496 0.087 1.00 1.04 H new ATOM 0 HA PHE A 74 -9.162 -9.794 -1.564 1.00 1.02 H new ATOM 0 HB2 PHE A 74 -6.384 -9.553 -0.379 1.00 0.94 H new ATOM 0 HB3 PHE A 74 -6.978 -8.408 -1.564 1.00 0.94 H new ATOM 0 HD1 PHE A 74 -7.613 -9.800 1.816 1.00 1.18 H new ATOM 0 HD2 PHE A 74 -8.536 -6.707 -0.963 1.00 1.61 H new ATOM 0 HE1 PHE A 74 -8.772 -8.556 3.587 1.00 1.25 H new ATOM 0 HE2 PHE A 74 -9.695 -5.460 0.806 1.00 1.70 H new ATOM 0 HZ PHE A 74 -9.816 -6.383 3.087 1.00 1.19 H new ATOM 855 N LYS A 75 -8.343 -11.507 -3.421 1.00 1.12 N ATOM 856 CA LYS A 75 -8.021 -11.905 -4.783 1.00 1.23 C ATOM 857 C LYS A 75 -8.892 -11.133 -5.761 1.00 1.54 C ATOM 858 O LYS A 75 -10.094 -10.975 -5.540 1.00 2.04 O ATOM 859 CB LYS A 75 -8.201 -13.417 -4.994 1.00 1.43 C ATOM 860 CG LYS A 75 -9.554 -13.966 -4.557 1.00 1.47 C ATOM 861 CD LYS A 75 -9.532 -14.398 -3.102 1.00 1.66 C ATOM 862 CE LYS A 75 -10.899 -14.847 -2.616 1.00 2.28 C ATOM 863 NZ LYS A 75 -11.893 -13.740 -2.634 1.00 2.85 N ATOM 0 H LYS A 75 -9.160 -11.974 -3.028 1.00 1.12 H new ATOM 0 HA LYS A 75 -6.971 -11.672 -4.962 1.00 1.23 H new ATOM 0 HB2 LYS A 75 -8.057 -13.642 -6.051 1.00 1.43 H new ATOM 0 HB3 LYS A 75 -7.418 -13.942 -4.447 1.00 1.43 H new ATOM 0 HG2 LYS A 75 -10.321 -13.205 -4.701 1.00 1.47 H new ATOM 0 HG3 LYS A 75 -9.825 -14.814 -5.186 1.00 1.47 H new ATOM 0 HD2 LYS A 75 -8.818 -15.213 -2.977 1.00 1.66 H new ATOM 0 HD3 LYS A 75 -9.182 -13.571 -2.484 1.00 1.66 H new ATOM 0 HE2 LYS A 75 -11.256 -15.664 -3.244 1.00 2.28 H new ATOM 0 HE3 LYS A 75 -10.812 -15.239 -1.602 1.00 2.28 H new ATOM 0 HZ1 LYS A 75 -12.744 -14.029 -2.111 1.00 2.85 H new ATOM 0 HZ2 LYS A 75 -11.481 -12.897 -2.186 1.00 2.85 H new ATOM 0 HZ3 LYS A 75 -12.149 -13.519 -3.618 1.00 2.85 H new ATOM 877 N GLY A 76 -8.279 -10.643 -6.824 1.00 1.89 N ATOM 878 CA GLY A 76 -9.005 -9.867 -7.804 1.00 2.41 C ATOM 879 C GLY A 76 -8.712 -8.387 -7.689 1.00 1.95 C ATOM 880 O GLY A 76 -8.572 -7.862 -6.581 1.00 2.42 O ATOM 0 H GLY A 76 -7.287 -10.769 -7.027 1.00 1.89 H new ATOM 0 HA2 GLY A 76 -8.743 -10.211 -8.805 1.00 2.41 H new ATOM 0 HA3 GLY A 76 -10.075 -10.035 -7.679 1.00 2.41 H new ATOM 884 N GLN A 77 -8.592 -7.730 -8.841 1.00 1.50 N ATOM 885 CA GLN A 77 -8.380 -6.282 -8.914 1.00 1.32 C ATOM 886 C GLN A 77 -7.020 -5.883 -8.346 1.00 1.10 C ATOM 887 O GLN A 77 -6.227 -6.729 -7.928 1.00 1.51 O ATOM 888 CB GLN A 77 -9.490 -5.535 -8.169 1.00 1.56 C ATOM 889 CG GLN A 77 -10.882 -5.777 -8.728 1.00 2.02 C ATOM 890 CD GLN A 77 -11.033 -5.298 -10.158 1.00 2.54 C ATOM 891 OE1 GLN A 77 -11.368 -4.141 -10.402 1.00 2.88 O ATOM 892 NE2 GLN A 77 -10.806 -6.186 -11.111 1.00 3.28 N ATOM 0 H GLN A 77 -8.639 -8.185 -9.752 1.00 1.50 H new ATOM 0 HA GLN A 77 -8.405 -6.005 -9.968 1.00 1.32 H new ATOM 0 HB2 GLN A 77 -9.474 -5.833 -7.121 1.00 1.56 H new ATOM 0 HB3 GLN A 77 -9.278 -4.466 -8.200 1.00 1.56 H new ATOM 0 HG2 GLN A 77 -11.107 -6.842 -8.681 1.00 2.02 H new ATOM 0 HG3 GLN A 77 -11.614 -5.269 -8.100 1.00 2.02 H new ATOM 0 HE21 GLN A 77 -10.529 -7.137 -10.867 1.00 3.28 H new ATOM 0 HE22 GLN A 77 -10.907 -5.920 -12.090 1.00 3.28 H new ATOM 901 N HIS A 78 -6.743 -4.587 -8.360 1.00 0.88 N ATOM 902 CA HIS A 78 -5.526 -4.061 -7.763 1.00 0.85 C ATOM 903 C HIS A 78 -5.880 -3.275 -6.510 1.00 0.69 C ATOM 904 O HIS A 78 -7.057 -3.001 -6.268 1.00 0.68 O ATOM 905 CB HIS A 78 -4.776 -3.148 -8.738 1.00 1.02 C ATOM 906 CG HIS A 78 -4.548 -3.740 -10.096 1.00 1.16 C ATOM 907 ND1 HIS A 78 -5.412 -3.538 -11.147 1.00 1.50 N ATOM 908 CD2 HIS A 78 -3.546 -4.510 -10.579 1.00 1.41 C ATOM 909 CE1 HIS A 78 -4.955 -4.156 -12.218 1.00 1.96 C ATOM 910 NE2 HIS A 78 -3.822 -4.755 -11.901 1.00 1.85 N ATOM 0 H HIS A 78 -7.347 -3.880 -8.779 1.00 0.88 H new ATOM 0 HA HIS A 78 -4.877 -4.901 -7.513 1.00 0.85 H new ATOM 0 HB2 HIS A 78 -5.336 -2.220 -8.850 1.00 1.02 H new ATOM 0 HB3 HIS A 78 -3.811 -2.888 -8.303 1.00 1.02 H new ATOM 0 HD1 HIS A 78 -6.274 -2.994 -11.104 1.00 1.50 H new ATOM 0 HD2 HIS A 78 -2.689 -4.866 -10.027 1.00 1.41 H new ATOM 0 HE1 HIS A 78 -5.427 -4.170 -13.189 1.00 1.96 H new ATOM 919 N LEU A 79 -4.878 -2.903 -5.725 1.00 0.60 N ATOM 920 CA LEU A 79 -5.112 -2.115 -4.518 1.00 0.46 C ATOM 921 C LEU A 79 -5.856 -0.824 -4.857 1.00 0.44 C ATOM 922 O LEU A 79 -6.814 -0.450 -4.182 1.00 0.42 O ATOM 923 CB LEU A 79 -3.786 -1.783 -3.827 1.00 0.44 C ATOM 924 CG LEU A 79 -3.908 -0.944 -2.552 1.00 0.37 C ATOM 925 CD1 LEU A 79 -4.628 -1.722 -1.461 1.00 0.37 C ATOM 926 CD2 LEU A 79 -2.538 -0.497 -2.074 1.00 0.41 C ATOM 0 H LEU A 79 -3.899 -3.132 -5.899 1.00 0.60 H new ATOM 0 HA LEU A 79 -5.725 -2.708 -3.839 1.00 0.46 H new ATOM 0 HB2 LEU A 79 -3.279 -2.716 -3.582 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -3.150 -1.251 -4.534 1.00 0.44 H new ATOM 0 HG LEU A 79 -4.498 -0.057 -2.783 1.00 0.37 H new ATOM 0 HD11 LEU A 79 -4.703 -1.107 -0.565 1.00 0.37 H new ATOM 0 HD12 LEU A 79 -5.628 -1.988 -1.803 1.00 0.37 H new ATOM 0 HD13 LEU A 79 -4.069 -2.630 -1.232 1.00 0.37 H new ATOM 0 HD21 LEU A 79 -2.645 0.098 -1.167 1.00 0.41 H new ATOM 0 HD22 LEU A 79 -1.923 -1.372 -1.863 1.00 0.41 H new ATOM 0 HD23 LEU A 79 -2.061 0.104 -2.848 1.00 0.41 H new ATOM 938 N ALA A 80 -5.426 -0.169 -5.928 1.00 0.50 N ATOM 939 CA ALA A 80 -6.003 1.105 -6.328 1.00 0.54 C ATOM 940 C ALA A 80 -7.469 0.965 -6.724 1.00 0.58 C ATOM 941 O ALA A 80 -8.269 1.854 -6.446 1.00 0.61 O ATOM 942 CB ALA A 80 -5.204 1.710 -7.462 1.00 0.63 C ATOM 0 H ALA A 80 -4.677 -0.501 -6.536 1.00 0.50 H new ATOM 0 HA ALA A 80 -5.960 1.771 -5.467 1.00 0.54 H new ATOM 0 HB1 ALA A 80 -5.647 2.663 -7.751 1.00 0.63 H new ATOM 0 HB2 ALA A 80 -4.176 1.871 -7.137 1.00 0.63 H new ATOM 0 HB3 ALA A 80 -5.213 1.032 -8.315 1.00 0.63 H new ATOM 948 N ASP A 81 -7.821 -0.156 -7.356 1.00 0.64 N ATOM 949 CA ASP A 81 -9.213 -0.417 -7.739 1.00 0.70 C ATOM 950 C ASP A 81 -10.107 -0.368 -6.511 1.00 0.60 C ATOM 951 O ASP A 81 -11.197 0.204 -6.536 1.00 0.67 O ATOM 952 CB ASP A 81 -9.361 -1.785 -8.413 1.00 0.78 C ATOM 953 CG ASP A 81 -8.721 -1.847 -9.781 1.00 1.52 C ATOM 954 OD1 ASP A 81 -9.276 -1.269 -10.732 1.00 2.30 O ATOM 955 OD2 ASP A 81 -7.653 -2.478 -9.915 1.00 2.06 O ATOM 0 H ASP A 81 -7.167 -0.895 -7.613 1.00 0.64 H new ATOM 0 HA ASP A 81 -9.511 0.354 -8.450 1.00 0.70 H new ATOM 0 HB2 ASP A 81 -8.914 -2.547 -7.775 1.00 0.78 H new ATOM 0 HB3 ASP A 81 -10.420 -2.026 -8.503 1.00 0.78 H new ATOM 960 N ILE A 82 -9.615 -0.961 -5.433 1.00 0.50 N ATOM 961 CA ILE A 82 -10.300 -0.936 -4.152 1.00 0.45 C ATOM 962 C ILE A 82 -10.519 0.503 -3.689 1.00 0.48 C ATOM 963 O ILE A 82 -11.633 0.890 -3.338 1.00 0.61 O ATOM 964 CB ILE A 82 -9.487 -1.711 -3.091 1.00 0.41 C ATOM 965 CG1 ILE A 82 -9.494 -3.208 -3.411 1.00 0.51 C ATOM 966 CG2 ILE A 82 -10.022 -1.448 -1.691 1.00 0.46 C ATOM 967 CD1 ILE A 82 -8.658 -4.039 -2.463 1.00 0.61 C ATOM 0 H ILE A 82 -8.732 -1.471 -5.423 1.00 0.50 H new ATOM 0 HA ILE A 82 -11.270 -1.417 -4.275 1.00 0.45 H new ATOM 0 HB ILE A 82 -8.457 -1.357 -3.119 1.00 0.41 H new ATOM 0 HG12 ILE A 82 -10.522 -3.570 -3.387 1.00 0.51 H new ATOM 0 HG13 ILE A 82 -9.128 -3.355 -4.427 1.00 0.51 H new ATOM 0 HG21 ILE A 82 -9.431 -2.006 -0.965 1.00 0.46 H new ATOM 0 HG22 ILE A 82 -9.956 -0.383 -1.470 1.00 0.46 H new ATOM 0 HG23 ILE A 82 -11.063 -1.767 -1.633 1.00 0.46 H new ATOM 0 HD11 ILE A 82 -8.713 -5.088 -2.754 1.00 0.61 H new ATOM 0 HD12 ILE A 82 -7.621 -3.705 -2.504 1.00 0.61 H new ATOM 0 HD13 ILE A 82 -9.037 -3.924 -1.447 1.00 0.61 H new ATOM 974 N LEU A 83 -9.455 1.294 -3.733 1.00 0.44 N ATOM 975 CA LEU A 83 -9.505 2.689 -3.302 1.00 0.52 C ATOM 976 C LEU A 83 -10.395 3.525 -4.223 1.00 0.69 C ATOM 977 O LEU A 83 -11.011 4.499 -3.786 1.00 0.83 O ATOM 978 CB LEU A 83 -8.091 3.282 -3.248 1.00 0.47 C ATOM 979 CG LEU A 83 -7.285 2.981 -1.974 1.00 0.39 C ATOM 980 CD1 LEU A 83 -7.123 1.483 -1.749 1.00 0.32 C ATOM 981 CD2 LEU A 83 -5.922 3.649 -2.051 1.00 0.42 C ATOM 0 H LEU A 83 -8.539 0.992 -4.065 1.00 0.44 H new ATOM 0 HA LEU A 83 -9.939 2.714 -2.302 1.00 0.52 H new ATOM 0 HB2 LEU A 83 -7.530 2.912 -4.106 1.00 0.47 H new ATOM 0 HB3 LEU A 83 -8.167 4.364 -3.360 1.00 0.47 H new ATOM 0 HG LEU A 83 -7.840 3.384 -1.127 1.00 0.39 H new ATOM 0 HD11 LEU A 83 -6.548 1.312 -0.839 1.00 0.32 H new ATOM 0 HD12 LEU A 83 -8.106 1.022 -1.649 1.00 0.32 H new ATOM 0 HD13 LEU A 83 -6.599 1.042 -2.597 1.00 0.32 H new ATOM 0 HD21 LEU A 83 -5.358 3.430 -1.144 1.00 0.42 H new ATOM 0 HD22 LEU A 83 -5.379 3.269 -2.917 1.00 0.42 H new ATOM 0 HD23 LEU A 83 -6.050 4.727 -2.147 1.00 0.42 H new ATOM 993 N ASN A 84 -10.467 3.135 -5.495 1.00 0.74 N ATOM 994 CA ASN A 84 -11.336 3.810 -6.461 1.00 0.94 C ATOM 995 C ASN A 84 -12.790 3.735 -6.017 1.00 0.97 C ATOM 996 O ASN A 84 -13.525 4.720 -6.086 1.00 1.15 O ATOM 997 CB ASN A 84 -11.208 3.187 -7.859 1.00 1.04 C ATOM 998 CG ASN A 84 -10.056 3.745 -8.677 1.00 1.27 C ATOM 999 OD1 ASN A 84 -8.965 4.097 -8.024 1.00 1.83 O flip ATOM 1000 ND2 ASN A 84 -10.145 3.845 -9.899 1.00 1.79 N flip ATOM 0 H ASN A 84 -9.935 2.356 -5.882 1.00 0.74 H new ATOM 0 HA ASN A 84 -11.019 4.852 -6.508 1.00 0.94 H new ATOM 0 HB2 ASN A 84 -11.079 2.110 -7.756 1.00 1.04 H new ATOM 0 HB3 ASN A 84 -12.139 3.346 -8.404 1.00 1.04 H new ATOM 0 HD21 ASN A 84 -11.003 3.564 -10.373 1.00 1.79 H new ATOM 0 HD22 ASN A 84 -9.360 4.209 -10.439 1.00 1.79 H new ATOM 1007 N SER A 85 -13.191 2.562 -5.552 1.00 0.87 N ATOM 1008 CA SER A 85 -14.561 2.339 -5.123 1.00 0.93 C ATOM 1009 C SER A 85 -14.767 2.743 -3.664 1.00 0.91 C ATOM 1010 O SER A 85 -15.878 3.071 -3.251 1.00 1.01 O ATOM 1011 CB SER A 85 -14.922 0.867 -5.324 1.00 0.98 C ATOM 1012 OG SER A 85 -13.899 0.017 -4.820 1.00 1.50 O ATOM 0 H SER A 85 -12.584 1.747 -5.462 1.00 0.87 H new ATOM 0 HA SER A 85 -15.217 2.964 -5.729 1.00 0.93 H new ATOM 0 HB2 SER A 85 -15.863 0.648 -4.820 1.00 0.98 H new ATOM 0 HB3 SER A 85 -15.075 0.668 -6.385 1.00 0.98 H new ATOM 0 HG SER A 85 -13.319 0.526 -4.216 1.00 1.50 H new ATOM 1018 N ALA A 86 -13.691 2.731 -2.888 1.00 0.88 N ATOM 1019 CA ALA A 86 -13.777 3.029 -1.466 1.00 0.95 C ATOM 1020 C ALA A 86 -13.129 4.369 -1.138 1.00 1.14 C ATOM 1021 O ALA A 86 -12.224 4.454 -0.307 1.00 1.71 O ATOM 1022 CB ALA A 86 -13.137 1.912 -0.657 1.00 1.09 C ATOM 0 H ALA A 86 -12.750 2.518 -3.220 1.00 0.88 H new ATOM 0 HA ALA A 86 -14.831 3.099 -1.198 1.00 0.95 H new ATOM 0 HB1 ALA A 86 -13.207 2.146 0.405 1.00 1.09 H new ATOM 0 HB2 ALA A 86 -13.656 0.974 -0.857 1.00 1.09 H new ATOM 0 HB3 ALA A 86 -12.089 1.814 -0.938 1.00 1.09 H new ATOM 1028 N SER A 87 -13.588 5.416 -1.803 1.00 1.41 N ATOM 1029 CA SER A 87 -13.093 6.755 -1.539 1.00 1.70 C ATOM 1030 C SER A 87 -13.871 7.380 -0.383 1.00 1.53 C ATOM 1031 O SER A 87 -14.937 7.964 -0.579 1.00 1.80 O ATOM 1032 CB SER A 87 -13.213 7.610 -2.798 1.00 2.36 C ATOM 1033 OG SER A 87 -12.567 6.980 -3.895 1.00 3.09 O ATOM 0 H SER A 87 -14.302 5.364 -2.529 1.00 1.41 H new ATOM 0 HA SER A 87 -12.042 6.702 -1.257 1.00 1.70 H new ATOM 0 HB2 SER A 87 -14.265 7.774 -3.034 1.00 2.36 H new ATOM 0 HB3 SER A 87 -12.769 8.590 -2.622 1.00 2.36 H new ATOM 0 HG SER A 87 -12.038 6.221 -3.571 1.00 3.09 H new ATOM 1039 N ARG A 88 -13.338 7.232 0.822 1.00 1.60 N ATOM 1040 CA ARG A 88 -14.007 7.716 2.025 1.00 1.65 C ATOM 1041 C ARG A 88 -13.998 9.238 2.108 1.00 1.89 C ATOM 1042 O ARG A 88 -12.966 9.882 1.908 1.00 2.38 O ATOM 1043 CB ARG A 88 -13.348 7.131 3.274 1.00 2.05 C ATOM 1044 CG ARG A 88 -13.538 5.633 3.424 1.00 2.61 C ATOM 1045 CD ARG A 88 -12.980 5.141 4.746 1.00 3.30 C ATOM 1046 NE ARG A 88 -13.231 3.717 4.957 1.00 4.00 N ATOM 1047 CZ ARG A 88 -13.464 3.172 6.151 1.00 4.74 C ATOM 1048 NH1 ARG A 88 -13.587 3.941 7.226 1.00 4.99 N ATOM 1049 NH2 ARG A 88 -13.612 1.861 6.268 1.00 5.55 N ATOM 0 H ARG A 88 -12.441 6.779 0.994 1.00 1.60 H new ATOM 0 HA ARG A 88 -15.045 7.387 1.970 1.00 1.65 H new ATOM 0 HB2 ARG A 88 -12.281 7.351 3.247 1.00 2.05 H new ATOM 0 HB3 ARG A 88 -13.754 7.629 4.154 1.00 2.05 H new ATOM 0 HG2 ARG A 88 -14.599 5.390 3.360 1.00 2.61 H new ATOM 0 HG3 ARG A 88 -13.043 5.116 2.602 1.00 2.61 H new ATOM 0 HD2 ARG A 88 -11.906 5.327 4.777 1.00 3.30 H new ATOM 0 HD3 ARG A 88 -13.426 5.711 5.561 1.00 3.30 H new ATOM 0 HE ARG A 88 -13.228 3.103 4.142 1.00 4.00 H new ATOM 0 HH11 ARG A 88 -13.503 4.954 7.141 1.00 4.99 H new ATOM 0 HH12 ARG A 88 -13.765 3.519 8.137 1.00 4.99 H new ATOM 0 HH21 ARG A 88 -13.548 1.265 5.443 1.00 5.55 H new ATOM 0 HH22 ARG A 88 -13.790 1.448 7.183 1.00 5.55 H new ATOM 1063 N VAL A 89 -15.162 9.802 2.397 1.00 1.99 N ATOM 1064 CA VAL A 89 -15.300 11.235 2.595 1.00 2.41 C ATOM 1065 C VAL A 89 -15.903 11.509 3.974 1.00 2.25 C ATOM 1066 O VAL A 89 -17.125 11.582 4.124 1.00 2.30 O ATOM 1067 CB VAL A 89 -16.188 11.882 1.506 1.00 3.06 C ATOM 1068 CG1 VAL A 89 -16.258 13.391 1.689 1.00 3.58 C ATOM 1069 CG2 VAL A 89 -15.675 11.539 0.114 1.00 3.55 C ATOM 0 H VAL A 89 -16.033 9.281 2.500 1.00 1.99 H new ATOM 0 HA VAL A 89 -14.306 11.677 2.525 1.00 2.41 H new ATOM 0 HB VAL A 89 -17.194 11.477 1.611 1.00 3.06 H new ATOM 0 HG11 VAL A 89 -16.888 13.823 0.911 1.00 3.58 H new ATOM 0 HG12 VAL A 89 -16.681 13.620 2.667 1.00 3.58 H new ATOM 0 HG13 VAL A 89 -15.255 13.813 1.620 1.00 3.58 H new ATOM 0 HG21 VAL A 89 -16.315 12.005 -0.635 1.00 3.55 H new ATOM 0 HG22 VAL A 89 -14.656 11.909 0.001 1.00 3.55 H new ATOM 0 HG23 VAL A 89 -15.686 10.458 -0.022 1.00 3.55 H new ATOM 1073 N PRO A 90 -15.050 11.618 5.007 1.00 2.60 N ATOM 1074 CA PRO A 90 -15.490 11.893 6.380 1.00 2.83 C ATOM 1075 C PRO A 90 -16.141 13.267 6.518 1.00 2.80 C ATOM 1076 O PRO A 90 -15.461 14.293 6.504 1.00 3.31 O ATOM 1077 CB PRO A 90 -14.194 11.835 7.201 1.00 3.67 C ATOM 1078 CG PRO A 90 -13.216 11.117 6.336 1.00 3.95 C ATOM 1079 CD PRO A 90 -13.591 11.461 4.926 1.00 3.27 C ATOM 0 HA PRO A 90 -16.247 11.181 6.707 1.00 2.83 H new ATOM 0 HB2 PRO A 90 -13.840 12.836 7.449 1.00 3.67 H new ATOM 0 HB3 PRO A 90 -14.348 11.308 8.143 1.00 3.67 H new ATOM 0 HG2 PRO A 90 -12.195 11.429 6.557 1.00 3.95 H new ATOM 0 HG3 PRO A 90 -13.263 10.041 6.502 1.00 3.95 H new ATOM 0 HD2 PRO A 90 -13.104 12.376 4.589 1.00 3.27 H new ATOM 0 HD3 PRO A 90 -13.307 10.673 4.228 1.00 3.27 H new ATOM 1087 N GLU A 91 -17.458 13.277 6.636 1.00 2.59 N ATOM 1088 CA GLU A 91 -18.203 14.517 6.786 1.00 2.75 C ATOM 1089 C GLU A 91 -18.175 14.991 8.233 1.00 2.55 C ATOM 1090 O GLU A 91 -18.460 14.223 9.154 1.00 2.93 O ATOM 1091 CB GLU A 91 -19.645 14.321 6.323 1.00 3.30 C ATOM 1092 CG GLU A 91 -19.778 14.151 4.821 1.00 3.94 C ATOM 1093 CD GLU A 91 -19.463 15.424 4.068 1.00 4.58 C ATOM 1094 OE1 GLU A 91 -18.273 15.690 3.797 1.00 5.08 O ATOM 1095 OE2 GLU A 91 -20.408 16.173 3.743 1.00 5.02 O ATOM 0 H GLU A 91 -18.036 12.437 6.631 1.00 2.59 H new ATOM 0 HA GLU A 91 -17.732 15.280 6.166 1.00 2.75 H new ATOM 0 HB2 GLU A 91 -20.062 13.444 6.819 1.00 3.30 H new ATOM 0 HB3 GLU A 91 -20.240 15.178 6.638 1.00 3.30 H new ATOM 0 HG2 GLU A 91 -19.108 13.359 4.487 1.00 3.94 H new ATOM 0 HG3 GLU A 91 -20.793 13.832 4.582 1.00 3.94 H new ATOM 1102 N SER A 92 -17.821 16.250 8.430 1.00 2.55 N ATOM 1103 CA SER A 92 -17.747 16.817 9.764 1.00 2.76 C ATOM 1104 C SER A 92 -17.841 18.338 9.684 1.00 2.95 C ATOM 1105 O SER A 92 -16.804 18.993 9.437 1.00 3.07 O ATOM 1106 CB SER A 92 -16.443 16.386 10.449 1.00 3.61 C ATOM 1107 OG SER A 92 -16.476 16.653 11.841 1.00 4.12 O ATOM 1108 OXT SER A 92 -18.957 18.873 9.848 1.00 3.54 O ATOM 0 H SER A 92 -17.580 16.899 7.681 1.00 2.55 H new ATOM 0 HA SER A 92 -18.582 16.448 10.359 1.00 2.76 H new ATOM 0 HB2 SER A 92 -16.279 15.321 10.285 1.00 3.61 H new ATOM 0 HB3 SER A 92 -15.602 16.911 9.996 1.00 3.61 H new ATOM 0 HG SER A 92 -15.633 16.366 12.249 1.00 4.12 H new TER 1114 SER A 92 ATOM 1115 N MET B 14 -5.044 13.954 -6.708 1.00 4.46 N ATOM 1116 CA MET B 14 -6.317 14.099 -5.972 1.00 3.81 C ATOM 1117 C MET B 14 -7.464 13.490 -6.771 1.00 2.82 C ATOM 1118 O MET B 14 -7.574 13.726 -7.975 1.00 2.99 O ATOM 1119 CB MET B 14 -6.596 15.579 -5.701 1.00 4.49 C ATOM 1120 CG MET B 14 -7.872 15.832 -4.917 1.00 5.01 C ATOM 1121 SD MET B 14 -8.250 17.587 -4.746 1.00 5.79 S ATOM 1122 CE MET B 14 -6.787 18.173 -3.891 1.00 6.44 C ATOM 0 HA MET B 14 -6.235 13.571 -5.022 1.00 3.81 H new ATOM 0 HB2 MET B 14 -5.755 16.003 -5.153 1.00 4.49 H new ATOM 0 HB3 MET B 14 -6.655 16.108 -6.652 1.00 4.49 H new ATOM 0 HG2 MET B 14 -8.704 15.333 -5.414 1.00 5.01 H new ATOM 0 HG3 MET B 14 -7.779 15.387 -3.926 1.00 5.01 H new ATOM 0 HE1 MET B 14 -7.084 18.777 -3.034 1.00 6.44 H new ATOM 0 HE2 MET B 14 -6.200 17.321 -3.549 1.00 6.44 H new ATOM 0 HE3 MET B 14 -6.186 18.778 -4.570 1.00 6.44 H new ATOM 1134 N MET B 15 -8.292 12.690 -6.089 1.00 2.12 N ATOM 1135 CA MET B 15 -9.473 12.052 -6.682 1.00 1.95 C ATOM 1136 C MET B 15 -9.098 10.883 -7.587 1.00 1.69 C ATOM 1137 O MET B 15 -8.007 10.846 -8.163 1.00 2.48 O ATOM 1138 CB MET B 15 -10.326 13.066 -7.448 1.00 2.52 C ATOM 1139 CG MET B 15 -11.102 14.014 -6.551 1.00 3.06 C ATOM 1140 SD MET B 15 -12.001 15.274 -7.474 1.00 3.93 S ATOM 1141 CE MET B 15 -12.734 16.201 -6.130 1.00 4.73 C ATOM 0 H MET B 15 -8.160 12.466 -5.103 1.00 2.12 H new ATOM 0 HA MET B 15 -10.064 11.656 -5.856 1.00 1.95 H new ATOM 0 HB2 MET B 15 -9.680 13.649 -8.104 1.00 2.52 H new ATOM 0 HB3 MET B 15 -11.027 12.529 -8.086 1.00 2.52 H new ATOM 0 HG2 MET B 15 -11.806 13.441 -5.948 1.00 3.06 H new ATOM 0 HG3 MET B 15 -10.412 14.499 -5.861 1.00 3.06 H new ATOM 0 HE1 MET B 15 -13.326 17.022 -6.535 1.00 4.73 H new ATOM 0 HE2 MET B 15 -13.376 15.545 -5.543 1.00 4.73 H new ATOM 0 HE3 MET B 15 -11.946 16.602 -5.493 1.00 4.73 H new ATOM 1151 N SER B 16 -10.017 9.923 -7.687 1.00 1.19 N ATOM 1152 CA SER B 16 -9.840 8.728 -8.509 1.00 1.17 C ATOM 1153 C SER B 16 -8.664 7.883 -8.021 1.00 1.05 C ATOM 1154 O SER B 16 -8.087 7.104 -8.785 1.00 1.91 O ATOM 1155 CB SER B 16 -9.647 9.115 -9.976 1.00 1.62 C ATOM 1156 OG SER B 16 -10.732 9.911 -10.434 1.00 2.01 O ATOM 0 H SER B 16 -10.911 9.954 -7.196 1.00 1.19 H new ATOM 0 HA SER B 16 -10.743 8.124 -8.419 1.00 1.17 H new ATOM 0 HB2 SER B 16 -8.713 9.664 -10.092 1.00 1.62 H new ATOM 0 HB3 SER B 16 -9.566 8.216 -10.587 1.00 1.62 H new ATOM 0 HG SER B 16 -10.589 10.150 -11.374 1.00 2.01 H new ATOM 1162 N ALA B 17 -8.340 8.040 -6.734 1.00 0.94 N ATOM 1163 CA ALA B 17 -7.188 7.385 -6.121 1.00 0.81 C ATOM 1164 C ALA B 17 -5.926 7.655 -6.926 1.00 0.69 C ATOM 1165 O ALA B 17 -5.429 6.790 -7.650 1.00 0.71 O ATOM 1166 CB ALA B 17 -7.425 5.889 -5.964 1.00 1.09 C ATOM 0 H ALA B 17 -8.872 8.626 -6.090 1.00 0.94 H new ATOM 0 HA ALA B 17 -7.053 7.805 -5.124 1.00 0.81 H new ATOM 0 HB1 ALA B 17 -6.550 5.428 -5.505 1.00 1.09 H new ATOM 0 HB2 ALA B 17 -8.297 5.723 -5.331 1.00 1.09 H new ATOM 0 HB3 ALA B 17 -7.598 5.443 -6.944 1.00 1.09 H new ATOM 1172 N SER B 18 -5.418 8.868 -6.806 1.00 0.64 N ATOM 1173 CA SER B 18 -4.232 9.267 -7.536 1.00 0.61 C ATOM 1174 C SER B 18 -2.997 8.593 -6.951 1.00 0.50 C ATOM 1175 O SER B 18 -3.039 8.101 -5.821 1.00 0.45 O ATOM 1176 CB SER B 18 -4.070 10.782 -7.487 1.00 0.67 C ATOM 1177 OG SER B 18 -5.288 11.434 -7.802 1.00 1.33 O ATOM 0 H SER B 18 -5.811 9.595 -6.208 1.00 0.64 H new ATOM 0 HA SER B 18 -4.343 8.955 -8.575 1.00 0.61 H new ATOM 0 HB2 SER B 18 -3.738 11.084 -6.493 1.00 0.67 H new ATOM 0 HB3 SER B 18 -3.296 11.091 -8.189 1.00 0.67 H new ATOM 0 HG SER B 18 -5.146 12.404 -7.814 1.00 1.33 H new ATOM 1183 N LYS B 19 -1.908 8.574 -7.707 1.00 0.50 N ATOM 1184 CA LYS B 19 -0.674 7.940 -7.256 1.00 0.43 C ATOM 1185 C LYS B 19 -0.264 8.502 -5.895 1.00 0.35 C ATOM 1186 O LYS B 19 0.045 7.753 -4.964 1.00 0.28 O ATOM 1187 CB LYS B 19 0.443 8.167 -8.281 1.00 0.54 C ATOM 1188 CG LYS B 19 0.081 7.736 -9.693 1.00 0.85 C ATOM 1189 CD LYS B 19 -0.058 6.226 -9.815 1.00 1.13 C ATOM 1190 CE LYS B 19 -0.495 5.820 -11.216 1.00 1.74 C ATOM 1191 NZ LYS B 19 0.417 6.355 -12.263 1.00 2.10 N ATOM 0 H LYS B 19 -1.853 8.990 -8.636 1.00 0.50 H new ATOM 0 HA LYS B 19 -0.844 6.868 -7.157 1.00 0.43 H new ATOM 0 HB2 LYS B 19 0.704 9.225 -8.291 1.00 0.54 H new ATOM 0 HB3 LYS B 19 1.332 7.622 -7.962 1.00 0.54 H new ATOM 0 HG2 LYS B 19 -0.855 8.210 -9.987 1.00 0.85 H new ATOM 0 HG3 LYS B 19 0.847 8.086 -10.385 1.00 0.85 H new ATOM 0 HD2 LYS B 19 0.894 5.751 -9.577 1.00 1.13 H new ATOM 0 HD3 LYS B 19 -0.785 5.866 -9.087 1.00 1.13 H new ATOM 0 HE2 LYS B 19 -0.527 4.733 -11.285 1.00 1.74 H new ATOM 0 HE3 LYS B 19 -1.507 6.181 -11.399 1.00 1.74 H new ATOM 0 HZ1 LYS B 19 0.267 5.837 -13.152 1.00 2.10 H new ATOM 0 HZ2 LYS B 19 0.219 7.365 -12.413 1.00 2.10 H new ATOM 0 HZ3 LYS B 19 1.404 6.238 -11.956 1.00 2.10 H new ATOM 1205 N GLU B 20 -0.309 9.828 -5.792 1.00 0.41 N ATOM 1206 CA GLU B 20 0.004 10.538 -4.552 1.00 0.42 C ATOM 1207 C GLU B 20 -0.839 10.028 -3.380 1.00 0.34 C ATOM 1208 O GLU B 20 -0.320 9.776 -2.295 1.00 0.30 O ATOM 1209 CB GLU B 20 -0.236 12.041 -4.741 1.00 0.57 C ATOM 1210 CG GLU B 20 -1.611 12.359 -5.312 1.00 0.64 C ATOM 1211 CD GLU B 20 -1.927 13.837 -5.352 1.00 0.95 C ATOM 1212 OE1 GLU B 20 -1.101 14.616 -5.870 1.00 1.49 O ATOM 1213 OE2 GLU B 20 -3.028 14.220 -4.899 1.00 1.58 O ATOM 0 H GLU B 20 -0.564 10.442 -6.566 1.00 0.41 H new ATOM 0 HA GLU B 20 1.053 10.354 -4.318 1.00 0.42 H new ATOM 0 HB2 GLU B 20 -0.123 12.545 -3.781 1.00 0.57 H new ATOM 0 HB3 GLU B 20 0.529 12.444 -5.405 1.00 0.57 H new ATOM 0 HG2 GLU B 20 -1.677 11.955 -6.322 1.00 0.64 H new ATOM 0 HG3 GLU B 20 -2.369 11.851 -4.715 1.00 0.64 H new ATOM 1220 N GLU B 21 -2.134 9.858 -3.621 1.00 0.37 N ATOM 1221 CA GLU B 21 -3.081 9.499 -2.574 1.00 0.39 C ATOM 1222 C GLU B 21 -2.859 8.071 -2.101 1.00 0.32 C ATOM 1223 O GLU B 21 -2.848 7.797 -0.901 1.00 0.33 O ATOM 1224 CB GLU B 21 -4.510 9.666 -3.090 1.00 0.50 C ATOM 1225 CG GLU B 21 -4.817 11.082 -3.550 1.00 0.62 C ATOM 1226 CD GLU B 21 -6.224 11.247 -4.088 1.00 0.91 C ATOM 1227 OE1 GLU B 21 -6.580 10.527 -5.039 1.00 1.54 O ATOM 1228 OE2 GLU B 21 -6.968 12.116 -3.576 1.00 1.49 O ATOM 0 H GLU B 21 -2.555 9.965 -4.544 1.00 0.37 H new ATOM 0 HA GLU B 21 -2.923 10.164 -1.725 1.00 0.39 H new ATOM 0 HB2 GLU B 21 -4.673 8.978 -3.919 1.00 0.50 H new ATOM 0 HB3 GLU B 21 -5.209 9.387 -2.302 1.00 0.50 H new ATOM 0 HG2 GLU B 21 -4.673 11.767 -2.715 1.00 0.62 H new ATOM 0 HG3 GLU B 21 -4.104 11.368 -4.323 1.00 0.62 H new ATOM 1235 N ILE B 22 -2.672 7.168 -3.052 1.00 0.30 N ATOM 1236 CA ILE B 22 -2.459 5.765 -2.738 1.00 0.29 C ATOM 1237 C ILE B 22 -1.161 5.585 -1.964 1.00 0.24 C ATOM 1238 O ILE B 22 -1.140 4.955 -0.908 1.00 0.26 O ATOM 1239 CB ILE B 22 -2.416 4.906 -4.016 1.00 0.30 C ATOM 1240 CG1 ILE B 22 -3.679 5.145 -4.845 1.00 0.36 C ATOM 1241 CG2 ILE B 22 -2.279 3.431 -3.658 1.00 0.31 C ATOM 1242 CD1 ILE B 22 -3.618 4.548 -6.231 1.00 0.44 C ATOM 0 H ILE B 22 -2.664 7.383 -4.049 1.00 0.30 H new ATOM 0 HA ILE B 22 -3.297 5.435 -2.125 1.00 0.29 H new ATOM 0 HB ILE B 22 -1.548 5.194 -4.610 1.00 0.30 H new ATOM 0 HG12 ILE B 22 -4.535 4.726 -4.316 1.00 0.36 H new ATOM 0 HG13 ILE B 22 -3.850 6.218 -4.929 1.00 0.36 H new ATOM 0 HG21 ILE B 22 -2.250 2.836 -4.571 1.00 0.31 H new ATOM 0 HG22 ILE B 22 -1.358 3.277 -3.095 1.00 0.31 H new ATOM 0 HG23 ILE B 22 -3.131 3.123 -3.051 1.00 0.31 H new ATOM 0 HD11 ILE B 22 -4.548 4.758 -6.759 1.00 0.44 H new ATOM 0 HD12 ILE B 22 -2.783 4.985 -6.779 1.00 0.44 H new ATOM 0 HD13 ILE B 22 -3.478 3.470 -6.157 1.00 0.44 H new ATOM 1249 N ALA B 23 -0.086 6.169 -2.484 1.00 0.20 N ATOM 1250 CA ALA B 23 1.221 6.074 -1.850 1.00 0.19 C ATOM 1251 C ALA B 23 1.189 6.667 -0.448 1.00 0.20 C ATOM 1252 O ALA B 23 1.795 6.126 0.474 1.00 0.20 O ATOM 1253 CB ALA B 23 2.272 6.775 -2.692 1.00 0.20 C ATOM 0 H ALA B 23 -0.096 6.714 -3.346 1.00 0.20 H new ATOM 0 HA ALA B 23 1.482 5.019 -1.770 1.00 0.19 H new ATOM 0 HB1 ALA B 23 3.243 6.694 -2.203 1.00 0.20 H new ATOM 0 HB2 ALA B 23 2.321 6.308 -3.676 1.00 0.20 H new ATOM 0 HB3 ALA B 23 2.008 7.827 -2.802 1.00 0.20 H new ATOM 1259 N ALA B 24 0.465 7.771 -0.300 1.00 0.22 N ATOM 1260 CA ALA B 24 0.313 8.427 0.991 1.00 0.25 C ATOM 1261 C ALA B 24 -0.298 7.477 2.015 1.00 0.23 C ATOM 1262 O ALA B 24 0.177 7.373 3.144 1.00 0.25 O ATOM 1263 CB ALA B 24 -0.543 9.674 0.848 1.00 0.31 C ATOM 0 H ALA B 24 -0.028 8.232 -1.065 1.00 0.22 H new ATOM 0 HA ALA B 24 1.302 8.718 1.346 1.00 0.25 H new ATOM 0 HB1 ALA B 24 -0.649 10.156 1.820 1.00 0.31 H new ATOM 0 HB2 ALA B 24 -0.067 10.364 0.151 1.00 0.31 H new ATOM 0 HB3 ALA B 24 -1.527 9.398 0.470 1.00 0.31 H new ATOM 1269 N LEU B 25 -1.344 6.771 1.607 1.00 0.23 N ATOM 1270 CA LEU B 25 -1.999 5.803 2.476 1.00 0.23 C ATOM 1271 C LEU B 25 -1.075 4.629 2.766 1.00 0.22 C ATOM 1272 O LEU B 25 -1.033 4.121 3.885 1.00 0.25 O ATOM 1273 CB LEU B 25 -3.289 5.293 1.835 1.00 0.26 C ATOM 1274 CG LEU B 25 -4.365 6.350 1.597 1.00 0.36 C ATOM 1275 CD1 LEU B 25 -5.549 5.736 0.874 1.00 0.46 C ATOM 1276 CD2 LEU B 25 -4.807 6.968 2.914 1.00 0.43 C ATOM 0 H LEU B 25 -1.758 6.851 0.678 1.00 0.23 H new ATOM 0 HA LEU B 25 -2.241 6.303 3.414 1.00 0.23 H new ATOM 0 HB2 LEU B 25 -3.041 4.830 0.880 1.00 0.26 H new ATOM 0 HB3 LEU B 25 -3.706 4.511 2.470 1.00 0.26 H new ATOM 0 HG LEU B 25 -3.946 7.140 0.973 1.00 0.36 H new ATOM 0 HD11 LEU B 25 -6.310 6.499 0.710 1.00 0.46 H new ATOM 0 HD12 LEU B 25 -5.222 5.337 -0.086 1.00 0.46 H new ATOM 0 HD13 LEU B 25 -5.967 4.931 1.478 1.00 0.46 H new ATOM 0 HD21 LEU B 25 -5.574 7.719 2.724 1.00 0.43 H new ATOM 0 HD22 LEU B 25 -5.212 6.191 3.563 1.00 0.43 H new ATOM 0 HD23 LEU B 25 -3.952 7.438 3.401 1.00 0.43 H new ATOM 1288 N ILE B 26 -0.332 4.211 1.749 1.00 0.20 N ATOM 1289 CA ILE B 26 0.591 3.091 1.874 1.00 0.21 C ATOM 1290 C ILE B 26 1.699 3.392 2.886 1.00 0.20 C ATOM 1291 O ILE B 26 1.937 2.607 3.806 1.00 0.22 O ATOM 1292 CB ILE B 26 1.216 2.725 0.506 1.00 0.22 C ATOM 1293 CG1 ILE B 26 0.131 2.234 -0.459 1.00 0.26 C ATOM 1294 CG2 ILE B 26 2.296 1.667 0.676 1.00 0.24 C ATOM 1295 CD1 ILE B 26 0.646 1.917 -1.848 1.00 0.27 C ATOM 0 H ILE B 26 -0.352 4.635 0.822 1.00 0.20 H new ATOM 0 HA ILE B 26 0.014 2.239 2.234 1.00 0.21 H new ATOM 0 HB ILE B 26 1.677 3.619 0.086 1.00 0.22 H new ATOM 0 HG12 ILE B 26 -0.336 1.342 -0.042 1.00 0.26 H new ATOM 0 HG13 ILE B 26 -0.646 2.995 -0.535 1.00 0.26 H new ATOM 0 HG21 ILE B 26 2.723 1.423 -0.297 1.00 0.24 H new ATOM 0 HG22 ILE B 26 3.079 2.049 1.331 1.00 0.24 H new ATOM 0 HG23 ILE B 26 1.860 0.770 1.116 1.00 0.24 H new ATOM 0 HD11 ILE B 26 -0.179 1.576 -2.473 1.00 0.27 H new ATOM 0 HD12 ILE B 26 1.087 2.813 -2.286 1.00 0.27 H new ATOM 0 HD13 ILE B 26 1.402 1.134 -1.786 1.00 0.27 H new ATOM 1302 N VAL B 27 2.361 4.536 2.729 1.00 0.18 N ATOM 1303 CA VAL B 27 3.453 4.903 3.627 1.00 0.20 C ATOM 1304 C VAL B 27 2.931 5.194 5.032 1.00 0.22 C ATOM 1305 O VAL B 27 3.582 4.863 6.023 1.00 0.23 O ATOM 1306 CB VAL B 27 4.271 6.113 3.112 1.00 0.21 C ATOM 1307 CG1 VAL B 27 4.946 5.778 1.795 1.00 0.21 C ATOM 1308 CG2 VAL B 27 3.405 7.354 2.964 1.00 0.21 C ATOM 0 H VAL B 27 2.163 5.218 1.997 1.00 0.18 H new ATOM 0 HA VAL B 27 4.122 4.043 3.659 1.00 0.20 H new ATOM 0 HB VAL B 27 5.038 6.331 3.855 1.00 0.21 H new ATOM 0 HG11 VAL B 27 5.516 6.640 1.449 1.00 0.21 H new ATOM 0 HG12 VAL B 27 5.618 4.931 1.936 1.00 0.21 H new ATOM 0 HG13 VAL B 27 4.190 5.522 1.053 1.00 0.21 H new ATOM 0 HG21 VAL B 27 4.014 8.182 2.601 1.00 0.21 H new ATOM 0 HG22 VAL B 27 2.602 7.155 2.254 1.00 0.21 H new ATOM 0 HG23 VAL B 27 2.977 7.616 3.931 1.00 0.21 H new ATOM 1312 N ASN B 28 1.744 5.789 5.117 1.00 0.25 N ATOM 1313 CA ASN B 28 1.137 6.090 6.407 1.00 0.32 C ATOM 1314 C ASN B 28 0.727 4.798 7.104 1.00 0.27 C ATOM 1315 O ASN B 28 0.773 4.697 8.328 1.00 0.28 O ATOM 1316 CB ASN B 28 -0.071 7.019 6.236 1.00 0.44 C ATOM 1317 CG ASN B 28 -0.626 7.509 7.561 1.00 0.67 C ATOM 1318 OD1 ASN B 28 -0.137 8.487 8.127 1.00 1.58 O ATOM 1319 ND2 ASN B 28 -1.671 6.859 8.049 1.00 0.86 N ATOM 0 H ASN B 28 1.187 6.071 4.311 1.00 0.25 H new ATOM 0 HA ASN B 28 1.872 6.605 7.026 1.00 0.32 H new ATOM 0 HB2 ASN B 28 0.219 7.877 5.629 1.00 0.44 H new ATOM 0 HB3 ASN B 28 -0.855 6.493 5.691 1.00 0.44 H new ATOM 0 HD21 ASN B 28 -2.099 7.165 8.923 1.00 0.86 H new ATOM 0 HD22 ASN B 28 -2.048 6.053 7.551 1.00 0.86 H new ATOM 1326 N TYR B 29 0.340 3.805 6.308 1.00 0.25 N ATOM 1327 CA TYR B 29 0.026 2.481 6.827 1.00 0.24 C ATOM 1328 C TYR B 29 1.270 1.837 7.430 1.00 0.18 C ATOM 1329 O TYR B 29 1.254 1.399 8.578 1.00 0.19 O ATOM 1330 CB TYR B 29 -0.553 1.594 5.716 1.00 0.28 C ATOM 1331 CG TYR B 29 -0.651 0.129 6.086 1.00 0.31 C ATOM 1332 CD1 TYR B 29 -1.566 -0.312 7.032 1.00 1.20 C ATOM 1333 CD2 TYR B 29 0.179 -0.811 5.487 1.00 1.23 C ATOM 1334 CE1 TYR B 29 -1.649 -1.649 7.373 1.00 1.22 C ATOM 1335 CE2 TYR B 29 0.100 -2.147 5.822 1.00 1.25 C ATOM 1336 CZ TYR B 29 -0.814 -2.561 6.765 1.00 0.42 C ATOM 1337 OH TYR B 29 -0.890 -3.892 7.104 1.00 0.49 O ATOM 0 H TYR B 29 0.237 3.895 5.297 1.00 0.25 H new ATOM 0 HA TYR B 29 -0.723 2.585 7.612 1.00 0.24 H new ATOM 0 HB2 TYR B 29 -1.546 1.959 5.454 1.00 0.28 H new ATOM 0 HB3 TYR B 29 0.068 1.693 4.826 1.00 0.28 H new ATOM 0 HD1 TYR B 29 -2.223 0.400 7.509 1.00 1.20 H new ATOM 0 HD2 TYR B 29 0.898 -0.490 4.747 1.00 1.23 H new ATOM 0 HE1 TYR B 29 -2.365 -1.977 8.112 1.00 1.22 H new ATOM 0 HE2 TYR B 29 0.752 -2.865 5.347 1.00 1.25 H new ATOM 0 HH TYR B 29 -0.234 -4.400 6.583 1.00 0.49 H new ATOM 1347 N PHE B 30 2.353 1.803 6.656 1.00 0.16 N ATOM 1348 CA PHE B 30 3.611 1.230 7.126 1.00 0.16 C ATOM 1349 C PHE B 30 4.120 1.975 8.355 1.00 0.18 C ATOM 1350 O PHE B 30 4.602 1.362 9.310 1.00 0.21 O ATOM 1351 CB PHE B 30 4.676 1.260 6.028 1.00 0.19 C ATOM 1352 CG PHE B 30 4.420 0.322 4.881 1.00 0.19 C ATOM 1353 CD1 PHE B 30 3.869 -0.931 5.093 1.00 1.20 C ATOM 1354 CD2 PHE B 30 4.747 0.694 3.588 1.00 1.17 C ATOM 1355 CE1 PHE B 30 3.645 -1.792 4.037 1.00 1.22 C ATOM 1356 CE2 PHE B 30 4.528 -0.165 2.529 1.00 1.16 C ATOM 1357 CZ PHE B 30 3.977 -1.408 2.754 1.00 0.25 C ATOM 0 H PHE B 30 2.384 2.165 5.703 1.00 0.16 H new ATOM 0 HA PHE B 30 3.417 0.192 7.395 1.00 0.16 H new ATOM 0 HB2 PHE B 30 4.750 2.276 5.640 1.00 0.19 H new ATOM 0 HB3 PHE B 30 5.642 1.017 6.470 1.00 0.19 H new ATOM 0 HD1 PHE B 30 3.612 -1.238 6.096 1.00 1.20 H new ATOM 0 HD2 PHE B 30 5.178 1.667 3.405 1.00 1.17 H new ATOM 0 HE1 PHE B 30 3.211 -2.765 4.215 1.00 1.22 H new ATOM 0 HE2 PHE B 30 4.788 0.137 1.525 1.00 1.16 H new ATOM 0 HZ PHE B 30 3.805 -2.081 1.927 1.00 0.25 H new ATOM 1367 N SER B 31 3.998 3.295 8.328 1.00 0.21 N ATOM 1368 CA SER B 31 4.413 4.121 9.449 1.00 0.26 C ATOM 1369 C SER B 31 3.558 3.822 10.678 1.00 0.25 C ATOM 1370 O SER B 31 4.044 3.855 11.806 1.00 0.27 O ATOM 1371 CB SER B 31 4.316 5.604 9.084 1.00 0.35 C ATOM 1372 OG SER B 31 4.794 6.426 10.137 1.00 1.15 O ATOM 0 H SER B 31 3.614 3.816 7.540 1.00 0.21 H new ATOM 0 HA SER B 31 5.452 3.887 9.683 1.00 0.26 H new ATOM 0 HB2 SER B 31 4.892 5.797 8.179 1.00 0.35 H new ATOM 0 HB3 SER B 31 3.280 5.859 8.862 1.00 0.35 H new ATOM 0 HG SER B 31 4.722 7.368 9.876 1.00 1.15 H new ATOM 1378 N SER B 32 2.288 3.514 10.457 1.00 0.27 N ATOM 1379 CA SER B 32 1.381 3.221 11.551 1.00 0.30 C ATOM 1380 C SER B 32 1.695 1.850 12.153 1.00 0.28 C ATOM 1381 O SER B 32 1.407 1.598 13.323 1.00 0.36 O ATOM 1382 CB SER B 32 -0.072 3.283 11.074 1.00 0.40 C ATOM 1383 OG SER B 32 -0.975 3.307 12.169 1.00 0.99 O ATOM 0 H SER B 32 1.865 3.461 9.530 1.00 0.27 H new ATOM 0 HA SER B 32 1.518 3.975 12.326 1.00 0.30 H new ATOM 0 HB2 SER B 32 -0.218 4.172 10.460 1.00 0.40 H new ATOM 0 HB3 SER B 32 -0.286 2.421 10.442 1.00 0.40 H new ATOM 0 HG SER B 32 -0.617 3.884 12.876 1.00 0.99 H new ATOM 1389 N ILE B 33 2.305 0.973 11.358 1.00 0.24 N ATOM 1390 CA ILE B 33 2.700 -0.348 11.841 1.00 0.27 C ATOM 1391 C ILE B 33 3.761 -0.225 12.932 1.00 0.26 C ATOM 1392 O ILE B 33 3.610 -0.778 14.023 1.00 0.32 O ATOM 1393 CB ILE B 33 3.247 -1.244 10.708 1.00 0.30 C ATOM 1394 CG1 ILE B 33 2.203 -1.430 9.607 1.00 0.30 C ATOM 1395 CG2 ILE B 33 3.669 -2.596 11.262 1.00 0.44 C ATOM 1396 CD1 ILE B 33 2.678 -2.312 8.471 1.00 0.34 C ATOM 0 H ILE B 33 2.536 1.152 10.381 1.00 0.24 H new ATOM 0 HA ILE B 33 1.801 -0.815 12.244 1.00 0.27 H new ATOM 0 HB ILE B 33 4.117 -0.751 10.275 1.00 0.30 H new ATOM 0 HG12 ILE B 33 1.301 -1.863 10.041 1.00 0.30 H new ATOM 0 HG13 ILE B 33 1.928 -0.453 9.208 1.00 0.30 H new ATOM 0 HG21 ILE B 33 4.052 -3.217 10.453 1.00 0.44 H new ATOM 0 HG22 ILE B 33 4.448 -2.455 12.012 1.00 0.44 H new ATOM 0 HG23 ILE B 33 2.810 -3.086 11.720 1.00 0.44 H new ATOM 0 HD11 ILE B 33 1.888 -2.401 7.725 1.00 0.34 H new ATOM 0 HD12 ILE B 33 3.562 -1.870 8.012 1.00 0.34 H new ATOM 0 HD13 ILE B 33 2.926 -3.301 8.857 1.00 0.34 H new ATOM 1403 N VAL B 34 4.832 0.507 12.639 1.00 0.25 N ATOM 1404 CA VAL B 34 5.893 0.723 13.619 1.00 0.31 C ATOM 1405 C VAL B 34 5.392 1.623 14.745 1.00 0.37 C ATOM 1406 O VAL B 34 5.826 1.513 15.891 1.00 0.47 O ATOM 1407 CB VAL B 34 7.166 1.334 12.980 1.00 0.34 C ATOM 1408 CG1 VAL B 34 7.734 0.401 11.923 1.00 0.35 C ATOM 1409 CG2 VAL B 34 6.884 2.703 12.377 1.00 0.33 C ATOM 0 H VAL B 34 4.988 0.958 11.738 1.00 0.25 H new ATOM 0 HA VAL B 34 6.165 -0.252 14.022 1.00 0.31 H new ATOM 0 HB VAL B 34 7.904 1.461 13.772 1.00 0.34 H new ATOM 0 HG11 VAL B 34 8.627 0.847 11.486 1.00 0.35 H new ATOM 0 HG12 VAL B 34 7.992 -0.554 12.381 1.00 0.35 H new ATOM 0 HG13 VAL B 34 6.990 0.239 11.143 1.00 0.35 H new ATOM 0 HG21 VAL B 34 7.798 3.102 11.938 1.00 0.33 H new ATOM 0 HG22 VAL B 34 6.121 2.610 11.605 1.00 0.33 H new ATOM 0 HG23 VAL B 34 6.531 3.378 13.156 1.00 0.33 H new ATOM 1413 N GLU B 35 4.455 2.497 14.395 1.00 0.35 N ATOM 1414 CA GLU B 35 3.796 3.385 15.343 1.00 0.46 C ATOM 1415 C GLU B 35 3.181 2.600 16.500 1.00 0.51 C ATOM 1416 O GLU B 35 3.482 2.852 17.668 1.00 0.62 O ATOM 1417 CB GLU B 35 2.713 4.160 14.597 1.00 0.51 C ATOM 1418 CG GLU B 35 1.786 4.985 15.468 1.00 0.70 C ATOM 1419 CD GLU B 35 0.631 5.543 14.667 1.00 1.49 C ATOM 1420 OE1 GLU B 35 -0.324 4.786 14.387 1.00 2.19 O ATOM 1421 OE2 GLU B 35 0.682 6.733 14.288 1.00 2.22 O ATOM 0 H GLU B 35 4.129 2.609 13.435 1.00 0.35 H new ATOM 0 HA GLU B 35 4.530 4.070 15.768 1.00 0.46 H new ATOM 0 HB2 GLU B 35 3.194 4.823 13.878 1.00 0.51 H new ATOM 0 HB3 GLU B 35 2.113 3.453 14.025 1.00 0.51 H new ATOM 0 HG2 GLU B 35 1.403 4.368 16.281 1.00 0.70 H new ATOM 0 HG3 GLU B 35 2.344 5.803 15.924 1.00 0.70 H new ATOM 1428 N LYS B 36 2.339 1.628 16.168 1.00 0.47 N ATOM 1429 CA LYS B 36 1.633 0.859 17.186 1.00 0.55 C ATOM 1430 C LYS B 36 2.357 -0.447 17.507 1.00 0.51 C ATOM 1431 O LYS B 36 1.774 -1.372 18.074 1.00 0.61 O ATOM 1432 CB LYS B 36 0.190 0.592 16.749 1.00 0.67 C ATOM 1433 CG LYS B 36 0.064 -0.128 15.416 1.00 0.71 C ATOM 1434 CD LYS B 36 -1.386 -0.216 14.952 1.00 0.98 C ATOM 1435 CE LYS B 36 -1.853 1.055 14.239 1.00 1.42 C ATOM 1436 NZ LYS B 36 -1.840 2.259 15.117 1.00 2.08 N ATOM 0 H LYS B 36 2.129 1.355 15.208 1.00 0.47 H new ATOM 0 HA LYS B 36 1.614 1.452 18.100 1.00 0.55 H new ATOM 0 HB2 LYS B 36 -0.306 -0.001 17.517 1.00 0.67 H new ATOM 0 HB3 LYS B 36 -0.340 1.542 16.687 1.00 0.67 H new ATOM 0 HG2 LYS B 36 0.655 0.395 14.664 1.00 0.71 H new ATOM 0 HG3 LYS B 36 0.478 -1.132 15.505 1.00 0.71 H new ATOM 0 HD2 LYS B 36 -1.498 -1.067 14.280 1.00 0.98 H new ATOM 0 HD3 LYS B 36 -2.028 -0.403 15.813 1.00 0.98 H new ATOM 0 HE2 LYS B 36 -1.212 1.236 13.376 1.00 1.42 H new ATOM 0 HE3 LYS B 36 -2.863 0.901 13.860 1.00 1.42 H new ATOM 0 HZ1 LYS B 36 -2.488 2.976 14.733 1.00 2.08 H new ATOM 0 HZ2 LYS B 36 -2.146 1.993 16.075 1.00 2.08 H new ATOM 0 HZ3 LYS B 36 -0.877 2.649 15.157 1.00 2.08 H new ATOM 1450 N LYS B 37 3.636 -0.494 17.131 1.00 0.48 N ATOM 1451 CA LYS B 37 4.527 -1.612 17.450 1.00 0.55 C ATOM 1452 C LYS B 37 3.940 -2.947 16.986 1.00 0.59 C ATOM 1453 O LYS B 37 3.868 -3.909 17.749 1.00 0.76 O ATOM 1454 CB LYS B 37 4.811 -1.645 18.958 1.00 0.72 C ATOM 1455 CG LYS B 37 6.106 -2.355 19.331 1.00 1.19 C ATOM 1456 CD LYS B 37 7.319 -1.594 18.818 1.00 1.42 C ATOM 1457 CE LYS B 37 8.619 -2.244 19.260 1.00 1.99 C ATOM 1458 NZ LYS B 37 9.805 -1.496 18.766 1.00 2.60 N ATOM 0 H LYS B 37 4.086 0.247 16.593 1.00 0.48 H new ATOM 0 HA LYS B 37 5.464 -1.460 16.914 1.00 0.55 H new ATOM 0 HB2 LYS B 37 4.849 -0.622 19.332 1.00 0.72 H new ATOM 0 HB3 LYS B 37 3.980 -2.138 19.463 1.00 0.72 H new ATOM 0 HG2 LYS B 37 6.169 -2.457 20.414 1.00 1.19 H new ATOM 0 HG3 LYS B 37 6.104 -3.363 18.916 1.00 1.19 H new ATOM 0 HD2 LYS B 37 7.287 -1.549 17.729 1.00 1.42 H new ATOM 0 HD3 LYS B 37 7.284 -0.567 19.181 1.00 1.42 H new ATOM 0 HE2 LYS B 37 8.649 -2.295 20.348 1.00 1.99 H new ATOM 0 HE3 LYS B 37 8.656 -3.269 18.892 1.00 1.99 H new ATOM 0 HZ1 LYS B 37 10.673 -1.970 19.088 1.00 2.60 H new ATOM 0 HZ2 LYS B 37 9.790 -1.469 17.726 1.00 2.60 H new ATOM 0 HZ3 LYS B 37 9.783 -0.525 19.138 1.00 2.60 H new ATOM 1472 N GLU B 38 3.543 -3.003 15.725 1.00 0.54 N ATOM 1473 CA GLU B 38 2.921 -4.198 15.166 1.00 0.69 C ATOM 1474 C GLU B 38 3.932 -5.001 14.372 1.00 0.69 C ATOM 1475 O GLU B 38 3.623 -6.063 13.835 1.00 1.03 O ATOM 1476 CB GLU B 38 1.740 -3.816 14.274 1.00 0.79 C ATOM 1477 CG GLU B 38 0.425 -3.711 15.020 1.00 1.35 C ATOM 1478 CD GLU B 38 -0.056 -5.057 15.514 1.00 1.41 C ATOM 1479 OE1 GLU B 38 -0.600 -5.829 14.699 1.00 2.11 O ATOM 1480 OE2 GLU B 38 0.116 -5.355 16.713 1.00 1.86 O ATOM 0 H GLU B 38 3.640 -2.232 15.064 1.00 0.54 H new ATOM 0 HA GLU B 38 2.556 -4.812 15.990 1.00 0.69 H new ATOM 0 HB2 GLU B 38 1.953 -2.861 13.793 1.00 0.79 H new ATOM 0 HB3 GLU B 38 1.640 -4.557 13.481 1.00 0.79 H new ATOM 0 HG2 GLU B 38 0.542 -3.035 15.867 1.00 1.35 H new ATOM 0 HG3 GLU B 38 -0.329 -3.275 14.365 1.00 1.35 H new ATOM 1487 N ILE B 39 5.138 -4.476 14.292 1.00 0.42 N ATOM 1488 CA ILE B 39 6.204 -5.132 13.558 1.00 0.43 C ATOM 1489 C ILE B 39 7.479 -5.147 14.397 1.00 0.48 C ATOM 1490 O ILE B 39 7.674 -4.286 15.259 1.00 0.52 O ATOM 1491 CB ILE B 39 6.439 -4.421 12.205 1.00 0.38 C ATOM 1492 CG1 ILE B 39 7.160 -5.344 11.225 1.00 0.46 C ATOM 1493 CG2 ILE B 39 7.221 -3.125 12.395 1.00 0.36 C ATOM 1494 CD1 ILE B 39 7.113 -4.851 9.797 1.00 0.47 C ATOM 0 H ILE B 39 5.406 -3.594 14.728 1.00 0.42 H new ATOM 0 HA ILE B 39 5.915 -6.163 13.352 1.00 0.43 H new ATOM 0 HB ILE B 39 5.464 -4.170 11.786 1.00 0.38 H new ATOM 0 HG12 ILE B 39 8.201 -5.448 11.532 1.00 0.46 H new ATOM 0 HG13 ILE B 39 6.712 -6.337 11.275 1.00 0.46 H new ATOM 0 HG21 ILE B 39 7.372 -2.646 11.428 1.00 0.36 H new ATOM 0 HG22 ILE B 39 6.662 -2.455 13.048 1.00 0.36 H new ATOM 0 HG23 ILE B 39 8.189 -3.347 12.845 1.00 0.36 H new ATOM 0 HD11 ILE B 39 7.643 -5.552 9.152 1.00 0.47 H new ATOM 0 HD12 ILE B 39 6.075 -4.774 9.473 1.00 0.47 H new ATOM 0 HD13 ILE B 39 7.587 -3.871 9.735 1.00 0.47 H new ATOM 1501 N SER B 40 8.322 -6.143 14.168 1.00 0.55 N ATOM 1502 CA SER B 40 9.542 -6.298 14.943 1.00 0.62 C ATOM 1503 C SER B 40 10.685 -5.500 14.319 1.00 0.53 C ATOM 1504 O SER B 40 10.524 -4.911 13.249 1.00 0.48 O ATOM 1505 CB SER B 40 9.910 -7.780 15.055 1.00 0.77 C ATOM 1506 OG SER B 40 10.942 -7.985 16.007 1.00 1.82 O ATOM 0 H SER B 40 8.183 -6.856 13.452 1.00 0.55 H new ATOM 0 HA SER B 40 9.369 -5.907 15.946 1.00 0.62 H new ATOM 0 HB2 SER B 40 9.029 -8.355 15.341 1.00 0.77 H new ATOM 0 HB3 SER B 40 10.231 -8.152 14.082 1.00 0.77 H new ATOM 0 HG SER B 40 11.155 -8.940 16.058 1.00 1.82 H new ATOM 1512 N GLU B 41 11.834 -5.504 14.990 1.00 0.59 N ATOM 1513 CA GLU B 41 12.977 -4.672 14.616 1.00 0.60 C ATOM 1514 C GLU B 41 13.368 -4.838 13.150 1.00 0.49 C ATOM 1515 O GLU B 41 13.515 -3.847 12.430 1.00 0.46 O ATOM 1516 CB GLU B 41 14.171 -5.001 15.510 1.00 0.78 C ATOM 1517 CG GLU B 41 13.889 -4.800 16.987 1.00 1.08 C ATOM 1518 CD GLU B 41 15.084 -5.113 17.858 1.00 1.44 C ATOM 1519 OE1 GLU B 41 15.929 -4.217 18.055 1.00 2.19 O ATOM 1520 OE2 GLU B 41 15.182 -6.255 18.353 1.00 1.99 O ATOM 0 H GLU B 41 12.000 -6.086 15.811 1.00 0.59 H new ATOM 0 HA GLU B 41 12.679 -3.633 14.755 1.00 0.60 H new ATOM 0 HB2 GLU B 41 14.468 -6.036 15.342 1.00 0.78 H new ATOM 0 HB3 GLU B 41 15.016 -4.376 15.220 1.00 0.78 H new ATOM 0 HG2 GLU B 41 13.582 -3.768 17.157 1.00 1.08 H new ATOM 0 HG3 GLU B 41 13.053 -5.434 17.283 1.00 1.08 H new ATOM 1527 N ASP B 42 13.523 -6.086 12.713 1.00 0.52 N ATOM 1528 CA ASP B 42 13.922 -6.378 11.334 1.00 0.51 C ATOM 1529 C ASP B 42 12.954 -5.753 10.341 1.00 0.43 C ATOM 1530 O ASP B 42 13.365 -5.084 9.393 1.00 0.47 O ATOM 1531 CB ASP B 42 13.999 -7.888 11.088 1.00 0.61 C ATOM 1532 CG ASP B 42 15.252 -8.515 11.656 1.00 1.49 C ATOM 1533 OD1 ASP B 42 16.325 -8.380 11.032 1.00 2.29 O ATOM 1534 OD2 ASP B 42 15.172 -9.148 12.732 1.00 2.20 O ATOM 0 H ASP B 42 13.379 -6.913 13.293 1.00 0.52 H new ATOM 0 HA ASP B 42 14.911 -5.945 11.187 1.00 0.51 H new ATOM 0 HB2 ASP B 42 13.126 -8.368 11.531 1.00 0.61 H new ATOM 0 HB3 ASP B 42 13.958 -8.079 10.016 1.00 0.61 H new ATOM 1539 N GLY B 43 11.668 -5.963 10.573 1.00 0.39 N ATOM 1540 CA GLY B 43 10.662 -5.427 9.683 1.00 0.37 C ATOM 1541 C GLY B 43 10.559 -3.920 9.770 1.00 0.34 C ATOM 1542 O GLY B 43 10.331 -3.252 8.763 1.00 0.34 O ATOM 0 H GLY B 43 11.303 -6.496 11.363 1.00 0.39 H new ATOM 0 HA2 GLY B 43 10.897 -5.714 8.658 1.00 0.37 H new ATOM 0 HA3 GLY B 43 9.695 -5.869 9.924 1.00 0.37 H new ATOM 1546 N ALA B 44 10.736 -3.387 10.972 1.00 0.33 N ATOM 1547 CA ALA B 44 10.663 -1.950 11.196 1.00 0.33 C ATOM 1548 C ALA B 44 11.717 -1.212 10.377 1.00 0.32 C ATOM 1549 O ALA B 44 11.398 -0.276 9.647 1.00 0.31 O ATOM 1550 CB ALA B 44 10.821 -1.642 12.676 1.00 0.38 C ATOM 0 H ALA B 44 10.932 -3.933 11.811 1.00 0.33 H new ATOM 0 HA ALA B 44 9.684 -1.602 10.868 1.00 0.33 H new ATOM 0 HB1 ALA B 44 10.765 -0.565 12.831 1.00 0.38 H new ATOM 0 HB2 ALA B 44 10.025 -2.132 13.237 1.00 0.38 H new ATOM 0 HB3 ALA B 44 11.787 -2.009 13.023 1.00 0.38 H new ATOM 1556 N ASP B 45 12.968 -1.655 10.481 1.00 0.36 N ATOM 1557 CA ASP B 45 14.058 -1.042 9.725 1.00 0.38 C ATOM 1558 C ASP B 45 13.876 -1.279 8.232 1.00 0.36 C ATOM 1559 O ASP B 45 14.266 -0.451 7.407 1.00 0.37 O ATOM 1560 CB ASP B 45 15.420 -1.586 10.168 1.00 0.48 C ATOM 1561 CG ASP B 45 15.863 -1.051 11.515 1.00 1.11 C ATOM 1562 OD1 ASP B 45 16.177 0.155 11.608 1.00 1.84 O ATOM 1563 OD2 ASP B 45 15.902 -1.832 12.488 1.00 1.81 O ATOM 0 H ASP B 45 13.251 -2.432 11.078 1.00 0.36 H new ATOM 0 HA ASP B 45 14.031 0.029 9.925 1.00 0.38 H new ATOM 0 HB2 ASP B 45 15.373 -2.674 10.213 1.00 0.48 H new ATOM 0 HB3 ASP B 45 16.168 -1.330 9.418 1.00 0.48 H new ATOM 1568 N SER B 46 13.278 -2.410 7.890 1.00 0.37 N ATOM 1569 CA SER B 46 13.019 -2.745 6.500 1.00 0.40 C ATOM 1570 C SER B 46 12.011 -1.760 5.903 1.00 0.36 C ATOM 1571 O SER B 46 12.146 -1.327 4.758 1.00 0.38 O ATOM 1572 CB SER B 46 12.500 -4.181 6.400 1.00 0.50 C ATOM 1573 OG SER B 46 12.695 -4.713 5.103 1.00 0.98 O ATOM 0 H SER B 46 12.963 -3.113 8.559 1.00 0.37 H new ATOM 0 HA SER B 46 13.947 -2.672 5.933 1.00 0.40 H new ATOM 0 HB2 SER B 46 13.012 -4.806 7.132 1.00 0.50 H new ATOM 0 HB3 SER B 46 11.439 -4.204 6.648 1.00 0.50 H new ATOM 0 HG SER B 46 13.254 -5.516 5.159 1.00 0.98 H new ATOM 1579 N LEU B 47 11.017 -1.382 6.698 1.00 0.32 N ATOM 1580 CA LEU B 47 10.020 -0.412 6.264 1.00 0.30 C ATOM 1581 C LEU B 47 10.617 0.987 6.171 1.00 0.27 C ATOM 1582 O LEU B 47 10.108 1.835 5.444 1.00 0.28 O ATOM 1583 CB LEU B 47 8.823 -0.397 7.219 1.00 0.30 C ATOM 1584 CG LEU B 47 7.944 -1.649 7.190 1.00 0.35 C ATOM 1585 CD1 LEU B 47 6.818 -1.528 8.204 1.00 0.39 C ATOM 1586 CD2 LEU B 47 7.382 -1.875 5.793 1.00 0.41 C ATOM 0 H LEU B 47 10.880 -1.732 7.646 1.00 0.32 H new ATOM 0 HA LEU B 47 9.681 -0.714 5.273 1.00 0.30 H new ATOM 0 HB2 LEU B 47 9.192 -0.256 8.235 1.00 0.30 H new ATOM 0 HB3 LEU B 47 8.202 0.467 6.983 1.00 0.30 H new ATOM 0 HG LEU B 47 8.558 -2.509 7.456 1.00 0.35 H new ATOM 0 HD11 LEU B 47 6.201 -2.426 8.172 1.00 0.39 H new ATOM 0 HD12 LEU B 47 7.239 -1.412 9.203 1.00 0.39 H new ATOM 0 HD13 LEU B 47 6.206 -0.658 7.966 1.00 0.39 H new ATOM 0 HD21 LEU B 47 6.759 -2.770 5.792 1.00 0.41 H new ATOM 0 HD22 LEU B 47 6.781 -1.014 5.499 1.00 0.41 H new ATOM 0 HD23 LEU B 47 8.203 -2.003 5.087 1.00 0.41 H new ATOM 1598 N ASN B 48 11.700 1.224 6.902 1.00 0.26 N ATOM 1599 CA ASN B 48 12.336 2.537 6.911 1.00 0.26 C ATOM 1600 C ASN B 48 13.015 2.825 5.576 1.00 0.27 C ATOM 1601 O ASN B 48 12.803 3.884 4.983 1.00 0.32 O ATOM 1602 CB ASN B 48 13.356 2.650 8.049 1.00 0.28 C ATOM 1603 CG ASN B 48 12.728 2.590 9.432 1.00 0.33 C ATOM 1604 OD1 ASN B 48 13.343 2.104 10.383 1.00 0.48 O ATOM 1605 ND2 ASN B 48 11.508 3.092 9.566 1.00 0.40 N ATOM 0 H ASN B 48 12.155 0.528 7.494 1.00 0.26 H new ATOM 0 HA ASN B 48 11.552 3.277 7.072 1.00 0.26 H new ATOM 0 HB2 ASN B 48 14.085 1.845 7.954 1.00 0.28 H new ATOM 0 HB3 ASN B 48 13.901 3.588 7.946 1.00 0.28 H new ATOM 0 HD21 ASN B 48 11.050 3.083 10.477 1.00 0.40 H new ATOM 0 HD22 ASN B 48 11.027 3.487 8.758 1.00 0.40 H new ATOM 1612 N VAL B 49 13.825 1.883 5.095 1.00 0.27 N ATOM 1613 CA VAL B 49 14.488 2.054 3.806 1.00 0.29 C ATOM 1614 C VAL B 49 13.454 2.097 2.684 1.00 0.29 C ATOM 1615 O VAL B 49 13.568 2.895 1.754 1.00 0.32 O ATOM 1616 CB VAL B 49 15.544 0.948 3.524 1.00 0.32 C ATOM 1617 CG1 VAL B 49 14.935 -0.441 3.593 1.00 0.34 C ATOM 1618 CG2 VAL B 49 16.206 1.164 2.168 1.00 0.36 C ATOM 0 H VAL B 49 14.035 1.006 5.571 1.00 0.27 H new ATOM 0 HA VAL B 49 15.024 3.002 3.845 1.00 0.29 H new ATOM 0 HB VAL B 49 16.303 1.021 4.303 1.00 0.32 H new ATOM 0 HG11 VAL B 49 15.704 -1.186 3.390 1.00 0.34 H new ATOM 0 HG12 VAL B 49 14.521 -0.608 4.588 1.00 0.34 H new ATOM 0 HG13 VAL B 49 14.142 -0.528 2.851 1.00 0.34 H new ATOM 0 HG21 VAL B 49 16.941 0.378 1.993 1.00 0.36 H new ATOM 0 HG22 VAL B 49 15.449 1.134 1.385 1.00 0.36 H new ATOM 0 HG23 VAL B 49 16.702 2.134 2.156 1.00 0.36 H new ATOM 1622 N ALA B 50 12.426 1.262 2.804 1.00 0.30 N ATOM 1623 CA ALA B 50 11.349 1.233 1.827 1.00 0.34 C ATOM 1624 C ALA B 50 10.586 2.551 1.828 1.00 0.33 C ATOM 1625 O ALA B 50 10.181 3.038 0.779 1.00 0.37 O ATOM 1626 CB ALA B 50 10.405 0.074 2.115 1.00 0.37 C ATOM 0 H ALA B 50 12.319 0.597 3.570 1.00 0.30 H new ATOM 0 HA ALA B 50 11.786 1.091 0.838 1.00 0.34 H new ATOM 0 HB1 ALA B 50 9.604 0.065 1.376 1.00 0.37 H new ATOM 0 HB2 ALA B 50 10.956 -0.865 2.065 1.00 0.37 H new ATOM 0 HB3 ALA B 50 9.978 0.191 3.111 1.00 0.37 H new ATOM 1632 N MET B 51 10.418 3.126 3.015 1.00 0.34 N ATOM 1633 CA MET B 51 9.677 4.374 3.194 1.00 0.39 C ATOM 1634 C MET B 51 10.202 5.470 2.278 1.00 0.31 C ATOM 1635 O MET B 51 9.436 6.127 1.567 1.00 0.30 O ATOM 1636 CB MET B 51 9.792 4.835 4.646 1.00 0.52 C ATOM 1637 CG MET B 51 8.808 5.925 5.029 1.00 0.62 C ATOM 1638 SD MET B 51 7.096 5.380 4.905 1.00 0.65 S ATOM 1639 CE MET B 51 7.201 3.774 5.692 1.00 0.41 C ATOM 0 H MET B 51 10.792 2.741 3.882 1.00 0.34 H new ATOM 0 HA MET B 51 8.634 4.184 2.940 1.00 0.39 H new ATOM 0 HB2 MET B 51 9.641 3.977 5.301 1.00 0.52 H new ATOM 0 HB3 MET B 51 10.805 5.196 4.822 1.00 0.52 H new ATOM 0 HG2 MET B 51 9.010 6.250 6.050 1.00 0.62 H new ATOM 0 HG3 MET B 51 8.959 6.790 4.383 1.00 0.62 H new ATOM 0 HE1 MET B 51 6.244 3.533 6.155 1.00 0.41 H new ATOM 0 HE2 MET B 51 7.443 3.018 4.945 1.00 0.41 H new ATOM 0 HE3 MET B 51 7.979 3.793 6.455 1.00 0.41 H new ATOM 1649 N ASP B 52 11.515 5.660 2.300 1.00 0.31 N ATOM 1650 CA ASP B 52 12.149 6.680 1.476 1.00 0.32 C ATOM 1651 C ASP B 52 11.979 6.355 -0.001 1.00 0.28 C ATOM 1652 O ASP B 52 11.728 7.239 -0.813 1.00 0.30 O ATOM 1653 CB ASP B 52 13.635 6.801 1.815 1.00 0.42 C ATOM 1654 CG ASP B 52 14.322 7.906 1.036 1.00 1.16 C ATOM 1655 OD1 ASP B 52 14.257 9.074 1.474 1.00 1.84 O ATOM 1656 OD2 ASP B 52 14.942 7.613 -0.009 1.00 1.99 O ATOM 0 H ASP B 52 12.160 5.122 2.878 1.00 0.31 H new ATOM 0 HA ASP B 52 11.664 7.633 1.685 1.00 0.32 H new ATOM 0 HB2 ASP B 52 13.746 6.991 2.883 1.00 0.42 H new ATOM 0 HB3 ASP B 52 14.130 5.853 1.607 1.00 0.42 H new ATOM 1661 N CYS B 53 12.084 5.074 -0.332 1.00 0.27 N ATOM 1662 CA CYS B 53 11.981 4.626 -1.714 1.00 0.27 C ATOM 1663 C CYS B 53 10.564 4.803 -2.261 1.00 0.28 C ATOM 1664 O CYS B 53 10.386 5.224 -3.400 1.00 0.36 O ATOM 1665 CB CYS B 53 12.423 3.168 -1.819 1.00 0.36 C ATOM 1666 SG CYS B 53 14.132 2.897 -1.297 1.00 1.05 S ATOM 0 H CYS B 53 12.241 4.324 0.342 1.00 0.27 H new ATOM 0 HA CYS B 53 12.641 5.245 -2.322 1.00 0.27 H new ATOM 0 HB2 CYS B 53 11.763 2.551 -1.210 1.00 0.36 H new ATOM 0 HB3 CYS B 53 12.309 2.835 -2.850 1.00 0.36 H new ATOM 0 HG CYS B 53 14.188 2.854 0.001 1.00 1.05 H new ATOM 1672 N ILE B 54 9.554 4.494 -1.450 1.00 0.26 N ATOM 1673 CA ILE B 54 8.166 4.687 -1.861 1.00 0.29 C ATOM 1674 C ILE B 54 7.918 6.161 -2.166 1.00 0.30 C ATOM 1675 O ILE B 54 7.363 6.513 -3.208 1.00 0.33 O ATOM 1676 CB ILE B 54 7.164 4.224 -0.777 1.00 0.29 C ATOM 1677 CG1 ILE B 54 7.435 2.772 -0.370 1.00 0.31 C ATOM 1678 CG2 ILE B 54 5.734 4.370 -1.286 1.00 0.33 C ATOM 1679 CD1 ILE B 54 6.685 2.338 0.873 1.00 0.33 C ATOM 0 H ILE B 54 9.670 4.112 -0.511 1.00 0.26 H new ATOM 0 HA ILE B 54 8.006 4.078 -2.751 1.00 0.29 H new ATOM 0 HB ILE B 54 7.293 4.856 0.102 1.00 0.29 H new ATOM 0 HG12 ILE B 54 7.162 2.115 -1.196 1.00 0.31 H new ATOM 0 HG13 ILE B 54 8.504 2.645 -0.201 1.00 0.31 H new ATOM 0 HG21 ILE B 54 5.038 4.041 -0.514 1.00 0.33 H new ATOM 0 HG22 ILE B 54 5.539 5.415 -1.529 1.00 0.33 H new ATOM 0 HG23 ILE B 54 5.601 3.759 -2.179 1.00 0.33 H new ATOM 0 HD11 ILE B 54 6.927 1.300 1.100 1.00 0.33 H new ATOM 0 HD12 ILE B 54 6.976 2.970 1.712 1.00 0.33 H new ATOM 0 HD13 ILE B 54 5.613 2.432 0.702 1.00 0.33 H new ATOM 1686 N SER B 55 8.366 7.014 -1.254 1.00 0.30 N ATOM 1687 CA SER B 55 8.232 8.454 -1.410 1.00 0.36 C ATOM 1688 C SER B 55 9.002 8.934 -2.642 1.00 0.38 C ATOM 1689 O SER B 55 8.482 9.698 -3.459 1.00 0.41 O ATOM 1690 CB SER B 55 8.748 9.151 -0.149 1.00 0.40 C ATOM 1691 OG SER B 55 8.130 8.620 1.014 1.00 0.80 O ATOM 0 H SER B 55 8.829 6.729 -0.391 1.00 0.30 H new ATOM 0 HA SER B 55 7.180 8.703 -1.552 1.00 0.36 H new ATOM 0 HB2 SER B 55 9.829 9.030 -0.078 1.00 0.40 H new ATOM 0 HB3 SER B 55 8.551 10.221 -0.214 1.00 0.40 H new ATOM 0 HG SER B 55 8.566 7.778 1.261 1.00 0.80 H new ATOM 1697 N GLU B 56 10.231 8.449 -2.773 1.00 0.39 N ATOM 1698 CA GLU B 56 11.109 8.793 -3.885 1.00 0.48 C ATOM 1699 C GLU B 56 10.500 8.375 -5.221 1.00 0.42 C ATOM 1700 O GLU B 56 10.533 9.129 -6.195 1.00 0.45 O ATOM 1701 CB GLU B 56 12.458 8.100 -3.689 1.00 0.59 C ATOM 1702 CG GLU B 56 13.455 8.327 -4.809 1.00 0.82 C ATOM 1703 CD GLU B 56 14.710 7.507 -4.615 1.00 1.81 C ATOM 1704 OE1 GLU B 56 15.633 7.977 -3.919 1.00 2.38 O ATOM 1705 OE2 GLU B 56 14.776 6.382 -5.146 1.00 2.66 O ATOM 0 H GLU B 56 10.649 7.801 -2.106 1.00 0.39 H new ATOM 0 HA GLU B 56 11.243 9.875 -3.903 1.00 0.48 H new ATOM 0 HB2 GLU B 56 12.897 8.447 -2.754 1.00 0.59 H new ATOM 0 HB3 GLU B 56 12.289 7.028 -3.583 1.00 0.59 H new ATOM 0 HG2 GLU B 56 12.996 8.069 -5.763 1.00 0.82 H new ATOM 0 HG3 GLU B 56 13.715 9.385 -4.856 1.00 0.82 H new ATOM 1712 N ALA B 57 9.942 7.171 -5.253 1.00 0.38 N ATOM 1713 CA ALA B 57 9.371 6.609 -6.470 1.00 0.39 C ATOM 1714 C ALA B 57 8.252 7.481 -7.024 1.00 0.33 C ATOM 1715 O ALA B 57 8.198 7.743 -8.225 1.00 0.38 O ATOM 1716 CB ALA B 57 8.861 5.201 -6.206 1.00 0.41 C ATOM 0 H ALA B 57 9.873 6.559 -4.440 1.00 0.38 H new ATOM 0 HA ALA B 57 10.160 6.571 -7.221 1.00 0.39 H new ATOM 0 HB1 ALA B 57 8.436 4.790 -7.122 1.00 0.41 H new ATOM 0 HB2 ALA B 57 9.687 4.571 -5.874 1.00 0.41 H new ATOM 0 HB3 ALA B 57 8.094 5.231 -5.432 1.00 0.41 H new ATOM 1722 N PHE B 58 7.369 7.933 -6.147 1.00 0.28 N ATOM 1723 CA PHE B 58 6.228 8.739 -6.563 1.00 0.27 C ATOM 1724 C PHE B 58 6.605 10.210 -6.696 1.00 0.30 C ATOM 1725 O PHE B 58 5.996 10.952 -7.471 1.00 0.38 O ATOM 1726 CB PHE B 58 5.073 8.574 -5.578 1.00 0.27 C ATOM 1727 CG PHE B 58 4.390 7.239 -5.673 1.00 0.25 C ATOM 1728 CD1 PHE B 58 5.014 6.087 -5.224 1.00 1.24 C ATOM 1729 CD2 PHE B 58 3.121 7.140 -6.216 1.00 1.18 C ATOM 1730 CE1 PHE B 58 4.384 4.862 -5.315 1.00 1.21 C ATOM 1731 CE2 PHE B 58 2.485 5.918 -6.311 1.00 1.22 C ATOM 1732 CZ PHE B 58 3.117 4.777 -5.860 1.00 0.29 C ATOM 0 H PHE B 58 7.419 7.757 -5.144 1.00 0.28 H new ATOM 0 HA PHE B 58 5.910 8.385 -7.544 1.00 0.27 H new ATOM 0 HB2 PHE B 58 5.449 8.710 -4.564 1.00 0.27 H new ATOM 0 HB3 PHE B 58 4.340 9.361 -5.754 1.00 0.27 H new ATOM 0 HD1 PHE B 58 6.005 6.148 -4.798 1.00 1.24 H new ATOM 0 HD2 PHE B 58 2.622 8.030 -6.570 1.00 1.18 H new ATOM 0 HE1 PHE B 58 4.881 3.971 -4.961 1.00 1.21 H new ATOM 0 HE2 PHE B 58 1.495 5.855 -6.737 1.00 1.22 H new ATOM 0 HZ PHE B 58 2.622 3.820 -5.933 1.00 0.29 H new ATOM 1742 N GLY B 59 7.609 10.625 -5.940 1.00 0.33 N ATOM 1743 CA GLY B 59 8.110 11.977 -6.054 1.00 0.38 C ATOM 1744 C GLY B 59 7.583 12.898 -4.975 1.00 0.37 C ATOM 1745 O GLY B 59 7.326 14.074 -5.230 1.00 0.42 O ATOM 0 H GLY B 59 8.087 10.048 -5.248 1.00 0.33 H new ATOM 0 HA2 GLY B 59 9.199 11.960 -6.009 1.00 0.38 H new ATOM 0 HA3 GLY B 59 7.838 12.378 -7.030 1.00 0.38 H new ATOM 1749 N PHE B 60 7.419 12.374 -3.770 1.00 0.35 N ATOM 1750 CA PHE B 60 6.978 13.188 -2.649 1.00 0.39 C ATOM 1751 C PHE B 60 7.876 12.944 -1.448 1.00 0.39 C ATOM 1752 O PHE B 60 8.612 11.961 -1.402 1.00 0.42 O ATOM 1753 CB PHE B 60 5.506 12.907 -2.297 1.00 0.40 C ATOM 1754 CG PHE B 60 5.239 11.545 -1.711 1.00 0.30 C ATOM 1755 CD1 PHE B 60 4.975 10.463 -2.531 1.00 1.19 C ATOM 1756 CD2 PHE B 60 5.234 11.355 -0.337 1.00 1.21 C ATOM 1757 CE1 PHE B 60 4.716 9.215 -1.993 1.00 1.23 C ATOM 1758 CE2 PHE B 60 4.976 10.112 0.206 1.00 1.19 C ATOM 1759 CZ PHE B 60 4.717 9.040 -0.624 1.00 0.33 C ATOM 0 H PHE B 60 7.584 11.393 -3.544 1.00 0.35 H new ATOM 0 HA PHE B 60 7.050 14.237 -2.937 1.00 0.39 H new ATOM 0 HB2 PHE B 60 5.167 13.663 -1.589 1.00 0.40 H new ATOM 0 HB3 PHE B 60 4.904 13.022 -3.199 1.00 0.40 H new ATOM 0 HD1 PHE B 60 4.971 10.594 -3.603 1.00 1.19 H new ATOM 0 HD2 PHE B 60 5.435 12.191 0.317 1.00 1.21 H new ATOM 0 HE1 PHE B 60 4.513 8.378 -2.644 1.00 1.23 H new ATOM 0 HE2 PHE B 60 4.977 9.979 1.278 1.00 1.19 H new ATOM 0 HZ PHE B 60 4.516 8.066 -0.203 1.00 0.33 H new ATOM 1769 N GLU B 61 7.827 13.852 -0.491 1.00 0.47 N ATOM 1770 CA GLU B 61 8.650 13.747 0.700 1.00 0.55 C ATOM 1771 C GLU B 61 7.912 12.954 1.769 1.00 0.50 C ATOM 1772 O GLU B 61 6.687 13.017 1.867 1.00 0.47 O ATOM 1773 CB GLU B 61 9.006 15.138 1.242 1.00 0.70 C ATOM 1774 CG GLU B 61 9.702 16.052 0.238 1.00 0.80 C ATOM 1775 CD GLU B 61 8.760 16.599 -0.818 1.00 1.48 C ATOM 1776 OE1 GLU B 61 7.869 17.396 -0.467 1.00 2.33 O ATOM 1777 OE2 GLU B 61 8.906 16.241 -2.004 1.00 2.06 O ATOM 0 H GLU B 61 7.223 14.674 -0.516 1.00 0.47 H new ATOM 0 HA GLU B 61 9.573 13.232 0.435 1.00 0.55 H new ATOM 0 HB2 GLU B 61 8.093 15.625 1.584 1.00 0.70 H new ATOM 0 HB3 GLU B 61 9.650 15.020 2.113 1.00 0.70 H new ATOM 0 HG2 GLU B 61 10.164 16.883 0.771 1.00 0.80 H new ATOM 0 HG3 GLU B 61 10.506 15.501 -0.250 1.00 0.80 H new ATOM 1784 N ARG B 62 8.667 12.223 2.575 1.00 0.53 N ATOM 1785 CA ARG B 62 8.106 11.404 3.645 1.00 0.53 C ATOM 1786 C ARG B 62 7.377 12.271 4.668 1.00 0.52 C ATOM 1787 O ARG B 62 6.455 11.815 5.335 1.00 0.64 O ATOM 1788 CB ARG B 62 9.225 10.614 4.325 1.00 0.62 C ATOM 1789 CG ARG B 62 8.764 9.742 5.481 1.00 1.40 C ATOM 1790 CD ARG B 62 9.940 9.352 6.356 1.00 1.46 C ATOM 1791 NE ARG B 62 10.657 10.536 6.820 1.00 2.25 N ATOM 1792 CZ ARG B 62 11.963 10.585 7.063 1.00 2.60 C ATOM 1793 NH1 ARG B 62 12.704 9.485 6.990 1.00 2.13 N ATOM 1794 NH2 ARG B 62 12.523 11.741 7.390 1.00 3.67 N ATOM 0 H ARG B 62 9.684 12.179 2.508 1.00 0.53 H new ATOM 0 HA ARG B 62 7.384 10.711 3.213 1.00 0.53 H new ATOM 0 HB2 ARG B 62 9.712 9.983 3.581 1.00 0.62 H new ATOM 0 HB3 ARG B 62 9.977 11.313 4.691 1.00 0.62 H new ATOM 0 HG2 ARG B 62 8.023 10.277 6.075 1.00 1.40 H new ATOM 0 HG3 ARG B 62 8.277 8.846 5.096 1.00 1.40 H new ATOM 0 HD2 ARG B 62 9.587 8.777 7.212 1.00 1.46 H new ATOM 0 HD3 ARG B 62 10.618 8.707 5.796 1.00 1.46 H new ATOM 0 HE ARG B 62 10.116 11.388 6.969 1.00 2.25 H new ATOM 0 HH11 ARG B 62 12.272 8.594 6.746 1.00 2.13 H new ATOM 0 HH12 ARG B 62 13.705 9.531 7.178 1.00 2.13 H new ATOM 0 HH21 ARG B 62 11.952 12.584 7.454 1.00 3.67 H new ATOM 0 HH22 ARG B 62 13.524 11.787 7.578 1.00 3.67 H new ATOM 1808 N GLU B 63 7.793 13.524 4.786 1.00 0.57 N ATOM 1809 CA GLU B 63 7.126 14.463 5.678 1.00 0.63 C ATOM 1810 C GLU B 63 5.998 15.193 4.954 1.00 0.62 C ATOM 1811 O GLU B 63 5.244 15.949 5.562 1.00 0.74 O ATOM 1812 CB GLU B 63 8.124 15.473 6.251 1.00 0.73 C ATOM 1813 CG GLU B 63 8.879 14.980 7.479 1.00 1.69 C ATOM 1814 CD GLU B 63 9.686 13.726 7.225 1.00 2.52 C ATOM 1815 OE1 GLU B 63 10.840 13.838 6.766 1.00 3.19 O ATOM 1816 OE2 GLU B 63 9.174 12.621 7.489 1.00 3.12 O ATOM 0 H GLU B 63 8.587 13.913 4.277 1.00 0.57 H new ATOM 0 HA GLU B 63 6.697 13.892 6.502 1.00 0.63 H new ATOM 0 HB2 GLU B 63 8.845 15.734 5.476 1.00 0.73 H new ATOM 0 HB3 GLU B 63 7.590 16.387 6.510 1.00 0.73 H new ATOM 0 HG2 GLU B 63 9.547 15.768 7.827 1.00 1.69 H new ATOM 0 HG3 GLU B 63 8.167 14.788 8.282 1.00 1.69 H new ATOM 1823 N ALA B 64 5.873 14.947 3.657 1.00 0.55 N ATOM 1824 CA ALA B 64 4.859 15.612 2.852 1.00 0.59 C ATOM 1825 C ALA B 64 3.581 14.788 2.794 1.00 0.53 C ATOM 1826 O ALA B 64 2.559 15.250 2.287 1.00 0.56 O ATOM 1827 CB ALA B 64 5.376 15.880 1.448 1.00 0.66 C ATOM 0 H ALA B 64 6.461 14.292 3.141 1.00 0.55 H new ATOM 0 HA ALA B 64 4.630 16.566 3.326 1.00 0.59 H new ATOM 0 HB1 ALA B 64 4.602 16.377 0.864 1.00 0.66 H new ATOM 0 HB2 ALA B 64 6.258 16.519 1.501 1.00 0.66 H new ATOM 0 HB3 ALA B 64 5.640 14.936 0.971 1.00 0.66 H new ATOM 1833 N VAL B 65 3.637 13.568 3.321 1.00 0.50 N ATOM 1834 CA VAL B 65 2.462 12.703 3.357 1.00 0.46 C ATOM 1835 C VAL B 65 1.349 13.347 4.186 1.00 0.52 C ATOM 1836 O VAL B 65 0.169 13.212 3.867 1.00 0.53 O ATOM 1837 CB VAL B 65 2.799 11.295 3.911 1.00 0.46 C ATOM 1838 CG1 VAL B 65 3.437 11.374 5.284 1.00 0.51 C ATOM 1839 CG2 VAL B 65 1.560 10.416 3.961 1.00 0.50 C ATOM 0 H VAL B 65 4.478 13.158 3.727 1.00 0.50 H new ATOM 0 HA VAL B 65 2.116 12.579 2.331 1.00 0.46 H new ATOM 0 HB VAL B 65 3.519 10.845 3.227 1.00 0.46 H new ATOM 0 HG11 VAL B 65 3.659 10.368 5.640 1.00 0.51 H new ATOM 0 HG12 VAL B 65 4.360 11.950 5.224 1.00 0.51 H new ATOM 0 HG13 VAL B 65 2.751 11.861 5.977 1.00 0.51 H new ATOM 0 HG21 VAL B 65 1.826 9.434 4.353 1.00 0.50 H new ATOM 0 HG22 VAL B 65 0.814 10.876 4.609 1.00 0.50 H new ATOM 0 HG23 VAL B 65 1.151 10.306 2.957 1.00 0.50 H new ATOM 1843 N SER B 66 1.739 14.081 5.224 1.00 0.62 N ATOM 1844 CA SER B 66 0.784 14.794 6.059 1.00 0.74 C ATOM 1845 C SER B 66 0.062 15.863 5.239 1.00 0.75 C ATOM 1846 O SER B 66 -1.124 16.127 5.447 1.00 0.83 O ATOM 1847 CB SER B 66 1.502 15.430 7.256 1.00 0.88 C ATOM 1848 OG SER B 66 0.584 16.042 8.147 1.00 1.63 O ATOM 0 H SER B 66 2.713 14.196 5.506 1.00 0.62 H new ATOM 0 HA SER B 66 0.044 14.086 6.433 1.00 0.74 H new ATOM 0 HB2 SER B 66 2.072 14.668 7.787 1.00 0.88 H new ATOM 0 HB3 SER B 66 2.216 16.173 6.901 1.00 0.88 H new ATOM 0 HG SER B 66 1.072 16.437 8.900 1.00 1.63 H new ATOM 1854 N GLY B 67 0.781 16.464 4.296 1.00 0.71 N ATOM 1855 CA GLY B 67 0.184 17.452 3.424 1.00 0.74 C ATOM 1856 C GLY B 67 -0.742 16.818 2.410 1.00 0.69 C ATOM 1857 O GLY B 67 -1.832 17.322 2.156 1.00 0.74 O ATOM 0 H GLY B 67 1.769 16.282 4.122 1.00 0.71 H new ATOM 0 HA2 GLY B 67 -0.371 18.176 4.021 1.00 0.74 H new ATOM 0 HA3 GLY B 67 0.970 18.002 2.905 1.00 0.74 H new ATOM 1861 N ILE B 68 -0.311 15.694 1.846 1.00 0.61 N ATOM 1862 CA ILE B 68 -1.123 14.959 0.880 1.00 0.58 C ATOM 1863 C ILE B 68 -2.421 14.483 1.525 1.00 0.62 C ATOM 1864 O ILE B 68 -3.506 14.686 0.983 1.00 0.70 O ATOM 1865 CB ILE B 68 -0.361 13.742 0.304 1.00 0.50 C ATOM 1866 CG1 ILE B 68 0.941 14.199 -0.360 1.00 0.49 C ATOM 1867 CG2 ILE B 68 -1.234 12.988 -0.693 1.00 0.49 C ATOM 1868 CD1 ILE B 68 1.790 13.058 -0.883 1.00 0.45 C ATOM 0 H ILE B 68 0.597 15.271 2.041 1.00 0.61 H new ATOM 0 HA ILE B 68 -1.350 15.643 0.062 1.00 0.58 H new ATOM 0 HB ILE B 68 -0.115 13.066 1.123 1.00 0.50 H new ATOM 0 HG12 ILE B 68 0.702 14.870 -1.185 1.00 0.49 H new ATOM 0 HG13 ILE B 68 1.524 14.774 0.360 1.00 0.49 H new ATOM 0 HG21 ILE B 68 -0.682 12.135 -1.088 1.00 0.49 H new ATOM 0 HG22 ILE B 68 -2.136 12.636 -0.193 1.00 0.49 H new ATOM 0 HG23 ILE B 68 -1.509 13.653 -1.512 1.00 0.49 H new ATOM 0 HD11 ILE B 68 2.695 13.458 -1.340 1.00 0.45 H new ATOM 0 HD12 ILE B 68 2.060 12.398 -0.059 1.00 0.45 H new ATOM 0 HD13 ILE B 68 1.226 12.496 -1.627 1.00 0.45 H new ATOM 1875 N LEU B 69 -2.307 13.883 2.705 1.00 0.61 N ATOM 1876 CA LEU B 69 -3.473 13.373 3.420 1.00 0.66 C ATOM 1877 C LEU B 69 -4.250 14.504 4.089 1.00 0.84 C ATOM 1878 O LEU B 69 -5.211 14.265 4.818 1.00 1.13 O ATOM 1879 CB LEU B 69 -3.052 12.333 4.463 1.00 0.61 C ATOM 1880 CG LEU B 69 -2.415 11.065 3.891 1.00 0.46 C ATOM 1881 CD1 LEU B 69 -2.024 10.111 5.008 1.00 0.49 C ATOM 1882 CD2 LEU B 69 -3.364 10.381 2.918 1.00 0.45 C ATOM 0 H LEU B 69 -1.420 13.738 3.187 1.00 0.61 H new ATOM 0 HA LEU B 69 -4.128 12.896 2.690 1.00 0.66 H new ATOM 0 HB2 LEU B 69 -2.346 12.797 5.152 1.00 0.61 H new ATOM 0 HB3 LEU B 69 -3.928 12.050 5.046 1.00 0.61 H new ATOM 0 HG LEU B 69 -1.513 11.351 3.350 1.00 0.46 H new ATOM 0 HD11 LEU B 69 -1.573 9.216 4.580 1.00 0.49 H new ATOM 0 HD12 LEU B 69 -1.307 10.599 5.669 1.00 0.49 H new ATOM 0 HD13 LEU B 69 -2.911 9.834 5.577 1.00 0.49 H new ATOM 0 HD21 LEU B 69 -2.893 9.481 2.522 1.00 0.45 H new ATOM 0 HD22 LEU B 69 -4.284 10.111 3.436 1.00 0.45 H new ATOM 0 HD23 LEU B 69 -3.596 11.060 2.098 1.00 0.45 H new ATOM 1894 N GLY B 70 -3.819 15.733 3.844 1.00 0.79 N ATOM 1895 CA GLY B 70 -4.531 16.889 4.343 1.00 0.93 C ATOM 1896 C GLY B 70 -4.938 17.813 3.215 1.00 0.98 C ATOM 1897 O GLY B 70 -5.294 18.972 3.438 1.00 1.24 O ATOM 0 H GLY B 70 -2.981 15.950 3.304 1.00 0.79 H new ATOM 0 HA2 GLY B 70 -5.417 16.565 4.889 1.00 0.93 H new ATOM 0 HA3 GLY B 70 -3.901 17.430 5.050 1.00 0.93 H new ATOM 1901 N LYS B 71 -4.876 17.295 1.996 1.00 0.86 N ATOM 1902 CA LYS B 71 -5.214 18.067 0.810 1.00 0.97 C ATOM 1903 C LYS B 71 -5.980 17.202 -0.182 1.00 0.98 C ATOM 1904 O LYS B 71 -7.035 17.595 -0.683 1.00 1.25 O ATOM 1905 CB LYS B 71 -3.944 18.612 0.153 1.00 1.11 C ATOM 1906 CG LYS B 71 -4.211 19.534 -1.026 1.00 1.68 C ATOM 1907 CD LYS B 71 -2.922 19.964 -1.709 1.00 2.11 C ATOM 1908 CE LYS B 71 -1.994 20.704 -0.758 1.00 2.60 C ATOM 1909 NZ LYS B 71 -0.741 21.131 -1.432 1.00 3.15 N ATOM 0 H LYS B 71 -4.592 16.335 1.803 1.00 0.86 H new ATOM 0 HA LYS B 71 -5.845 18.904 1.109 1.00 0.97 H new ATOM 0 HB2 LYS B 71 -3.362 19.152 0.900 1.00 1.11 H new ATOM 0 HB3 LYS B 71 -3.332 17.775 -0.183 1.00 1.11 H new ATOM 0 HG2 LYS B 71 -4.852 19.027 -1.746 1.00 1.68 H new ATOM 0 HG3 LYS B 71 -4.752 20.416 -0.683 1.00 1.68 H new ATOM 0 HD2 LYS B 71 -2.411 19.086 -2.105 1.00 2.11 H new ATOM 0 HD3 LYS B 71 -3.158 20.605 -2.558 1.00 2.11 H new ATOM 0 HE2 LYS B 71 -2.507 21.578 -0.356 1.00 2.60 H new ATOM 0 HE3 LYS B 71 -1.751 20.060 0.087 1.00 2.60 H new ATOM 0 HZ1 LYS B 71 -0.134 21.632 -0.752 1.00 3.15 H new ATOM 0 HZ2 LYS B 71 -0.239 20.295 -1.794 1.00 3.15 H new ATOM 0 HZ3 LYS B 71 -0.971 21.766 -2.223 1.00 3.15 H new ATOM 1923 N SER B 72 -5.440 16.022 -0.458 1.00 0.91 N ATOM 1924 CA SER B 72 -6.069 15.082 -1.370 1.00 1.08 C ATOM 1925 C SER B 72 -7.226 14.364 -0.670 1.00 1.03 C ATOM 1926 O SER B 72 -7.409 14.496 0.538 1.00 1.20 O ATOM 1927 CB SER B 72 -5.025 14.088 -1.873 1.00 1.29 C ATOM 1928 OG SER B 72 -3.892 14.767 -2.399 1.00 2.02 O ATOM 0 H SER B 72 -4.561 15.693 -0.059 1.00 0.91 H new ATOM 0 HA SER B 72 -6.478 15.618 -2.226 1.00 1.08 H new ATOM 0 HB2 SER B 72 -4.716 13.434 -1.057 1.00 1.29 H new ATOM 0 HB3 SER B 72 -5.463 13.452 -2.642 1.00 1.29 H new ATOM 0 HG SER B 72 -3.734 14.474 -3.321 1.00 2.02 H new ATOM 1934 N GLU B 73 -7.992 13.595 -1.440 1.00 1.12 N ATOM 1935 CA GLU B 73 -9.317 13.142 -1.017 1.00 1.30 C ATOM 1936 C GLU B 73 -9.283 12.054 0.048 1.00 1.26 C ATOM 1937 O GLU B 73 -10.252 11.892 0.796 1.00 1.86 O ATOM 1938 CB GLU B 73 -10.107 12.642 -2.224 1.00 1.67 C ATOM 1939 CG GLU B 73 -10.497 13.747 -3.186 1.00 1.87 C ATOM 1940 CD GLU B 73 -11.369 14.796 -2.532 1.00 2.11 C ATOM 1941 OE1 GLU B 73 -12.585 14.553 -2.384 1.00 2.46 O ATOM 1942 OE2 GLU B 73 -10.847 15.864 -2.160 1.00 2.64 O ATOM 0 H GLU B 73 -7.716 13.270 -2.367 1.00 1.12 H new ATOM 0 HA GLU B 73 -9.803 14.008 -0.567 1.00 1.30 H new ATOM 0 HB2 GLU B 73 -9.512 11.900 -2.756 1.00 1.67 H new ATOM 0 HB3 GLU B 73 -11.009 12.138 -1.876 1.00 1.67 H new ATOM 0 HG2 GLU B 73 -9.596 14.219 -3.578 1.00 1.87 H new ATOM 0 HG3 GLU B 73 -11.026 13.316 -4.036 1.00 1.87 H new ATOM 1949 N PHE B 74 -8.189 11.318 0.128 1.00 1.03 N ATOM 1950 CA PHE B 74 -8.109 10.183 1.039 1.00 1.02 C ATOM 1951 C PHE B 74 -7.612 10.595 2.424 1.00 1.07 C ATOM 1952 O PHE B 74 -6.593 10.103 2.910 1.00 1.44 O ATOM 1953 CB PHE B 74 -7.228 9.084 0.448 1.00 0.94 C ATOM 1954 CG PHE B 74 -7.899 8.330 -0.666 1.00 0.96 C ATOM 1955 CD1 PHE B 74 -7.925 8.840 -1.954 1.00 1.18 C ATOM 1956 CD2 PHE B 74 -8.513 7.111 -0.421 1.00 1.61 C ATOM 1957 CE1 PHE B 74 -8.549 8.151 -2.974 1.00 1.25 C ATOM 1958 CE2 PHE B 74 -9.138 6.417 -1.437 1.00 1.70 C ATOM 1959 CZ PHE B 74 -9.157 6.938 -2.716 1.00 1.19 C ATOM 0 H PHE B 74 -7.346 11.482 -0.422 1.00 1.03 H new ATOM 0 HA PHE B 74 -9.118 9.791 1.165 1.00 1.02 H new ATOM 0 HB2 PHE B 74 -6.305 9.527 0.075 1.00 0.94 H new ATOM 0 HB3 PHE B 74 -6.950 8.385 1.237 1.00 0.94 H new ATOM 0 HD1 PHE B 74 -7.451 9.788 -2.162 1.00 1.18 H new ATOM 0 HD2 PHE B 74 -8.502 6.700 0.577 1.00 1.61 H new ATOM 0 HE1 PHE B 74 -8.562 8.560 -3.973 1.00 1.25 H new ATOM 0 HE2 PHE B 74 -9.611 5.468 -1.232 1.00 1.70 H new ATOM 0 HZ PHE B 74 -9.646 6.398 -3.513 1.00 1.19 H new ATOM 1969 N LYS B 75 -8.347 11.495 3.053 1.00 1.12 N ATOM 1970 CA LYS B 75 -8.069 11.886 4.426 1.00 1.23 C ATOM 1971 C LYS B 75 -8.983 11.123 5.371 1.00 1.54 C ATOM 1972 O LYS B 75 -10.179 10.983 5.111 1.00 2.04 O ATOM 1973 CB LYS B 75 -8.240 13.400 4.634 1.00 1.42 C ATOM 1974 CG LYS B 75 -9.573 13.963 4.152 1.00 1.46 C ATOM 1975 CD LYS B 75 -9.495 14.399 2.698 1.00 1.65 C ATOM 1976 CE LYS B 75 -10.840 14.864 2.165 1.00 2.27 C ATOM 1977 NZ LYS B 75 -11.847 13.767 2.147 1.00 2.85 N ATOM 0 H LYS B 75 -9.145 11.972 2.633 1.00 1.12 H new ATOM 0 HA LYS B 75 -7.029 11.640 4.641 1.00 1.23 H new ATOM 0 HB2 LYS B 75 -8.130 13.622 5.695 1.00 1.42 H new ATOM 0 HB3 LYS B 75 -7.433 13.918 4.115 1.00 1.42 H new ATOM 0 HG2 LYS B 75 -10.351 13.209 4.266 1.00 1.46 H new ATOM 0 HG3 LYS B 75 -9.858 14.812 4.774 1.00 1.46 H new ATOM 0 HD2 LYS B 75 -8.769 15.206 2.601 1.00 1.65 H new ATOM 0 HD3 LYS B 75 -9.133 13.570 2.091 1.00 1.65 H new ATOM 0 HE2 LYS B 75 -11.209 15.684 2.781 1.00 2.27 H new ATOM 0 HE3 LYS B 75 -10.713 15.255 1.156 1.00 2.27 H new ATOM 0 HZ1 LYS B 75 -12.676 14.066 1.595 1.00 2.85 H new ATOM 0 HZ2 LYS B 75 -11.429 12.919 1.712 1.00 2.85 H new ATOM 0 HZ3 LYS B 75 -12.140 13.548 3.121 1.00 2.85 H new ATOM 1991 N GLY B 76 -8.413 10.622 6.454 1.00 1.89 N ATOM 1992 CA GLY B 76 -9.181 9.853 7.406 1.00 2.41 C ATOM 1993 C GLY B 76 -8.896 8.371 7.300 1.00 1.95 C ATOM 1994 O GLY B 76 -8.719 7.849 6.194 1.00 2.43 O ATOM 0 H GLY B 76 -7.427 10.735 6.691 1.00 1.89 H new ATOM 0 HA2 GLY B 76 -8.953 10.195 8.416 1.00 2.41 H new ATOM 0 HA3 GLY B 76 -10.244 10.030 7.242 1.00 2.41 H new ATOM 1998 N GLN B 77 -8.819 7.710 8.455 1.00 1.50 N ATOM 1999 CA GLN B 77 -8.621 6.260 8.531 1.00 1.32 C ATOM 2000 C GLN B 77 -7.246 5.850 8.008 1.00 1.10 C ATOM 2001 O GLN B 77 -6.432 6.688 7.621 1.00 1.50 O ATOM 2002 CB GLN B 77 -9.712 5.524 7.746 1.00 1.56 C ATOM 2003 CG GLN B 77 -11.120 5.778 8.258 1.00 2.02 C ATOM 2004 CD GLN B 77 -11.327 5.295 9.678 1.00 2.54 C ATOM 2005 OE1 GLN B 77 -11.688 4.140 9.905 1.00 2.88 O ATOM 2006 NE2 GLN B 77 -11.122 6.178 10.641 1.00 3.28 N ATOM 0 H GLN B 77 -8.892 8.164 9.366 1.00 1.50 H new ATOM 0 HA GLN B 77 -8.683 5.981 9.583 1.00 1.32 H new ATOM 0 HB2 GLN B 77 -9.657 5.824 6.700 1.00 1.56 H new ATOM 0 HB3 GLN B 77 -9.511 4.453 7.782 1.00 1.56 H new ATOM 0 HG2 GLN B 77 -11.332 6.846 8.208 1.00 2.02 H new ATOM 0 HG3 GLN B 77 -11.835 5.280 7.603 1.00 2.02 H new ATOM 0 HE21 GLN B 77 -10.823 7.125 10.409 1.00 3.28 H new ATOM 0 HE22 GLN B 77 -11.263 5.912 11.616 1.00 3.28 H new ATOM 2015 N HIS B 78 -6.983 4.552 8.029 1.00 0.88 N ATOM 2016 CA HIS B 78 -5.753 4.015 7.471 1.00 0.85 C ATOM 2017 C HIS B 78 -6.070 3.234 6.207 1.00 0.69 C ATOM 2018 O HIS B 78 -7.241 2.970 5.923 1.00 0.68 O ATOM 2019 CB HIS B 78 -5.046 3.091 8.470 1.00 1.02 C ATOM 2020 CG HIS B 78 -4.861 3.680 9.834 1.00 1.16 C ATOM 2021 ND1 HIS B 78 -5.760 3.482 10.857 1.00 1.50 N ATOM 2022 CD2 HIS B 78 -3.869 4.443 10.352 1.00 1.41 C ATOM 2023 CE1 HIS B 78 -5.335 4.096 11.942 1.00 1.95 C ATOM 2024 NE2 HIS B 78 -4.188 4.686 11.665 1.00 1.85 N ATOM 0 H HIS B 78 -7.607 3.850 8.428 1.00 0.88 H new ATOM 0 HA HIS B 78 -5.090 4.850 7.244 1.00 0.85 H new ATOM 0 HB2 HIS B 78 -5.619 2.168 8.561 1.00 1.02 H new ATOM 0 HB3 HIS B 78 -4.069 2.822 8.068 1.00 1.02 H new ATOM 0 HD1 HIS B 78 -6.623 2.943 10.786 1.00 1.50 H new ATOM 0 HD2 HIS B 78 -2.991 4.794 9.830 1.00 1.41 H new ATOM 0 HE1 HIS B 78 -5.840 4.113 12.897 1.00 1.95 H new ATOM 2033 N LEU B 79 -5.045 2.854 5.455 1.00 0.60 N ATOM 2034 CA LEU B 79 -5.245 2.071 4.241 1.00 0.46 C ATOM 2035 C LEU B 79 -6.013 0.786 4.549 1.00 0.44 C ATOM 2036 O LEU B 79 -6.948 0.421 3.839 1.00 0.42 O ATOM 2037 CB LEU B 79 -3.899 1.726 3.595 1.00 0.44 C ATOM 2038 CG LEU B 79 -3.986 0.892 2.315 1.00 0.37 C ATOM 2039 CD1 LEU B 79 -4.662 1.678 1.202 1.00 0.38 C ATOM 2040 CD2 LEU B 79 -2.604 0.432 1.883 1.00 0.41 C ATOM 0 H LEU B 79 -4.071 3.074 5.662 1.00 0.60 H new ATOM 0 HA LEU B 79 -5.829 2.673 3.544 1.00 0.46 H new ATOM 0 HB2 LEU B 79 -3.374 2.654 3.370 1.00 0.44 H new ATOM 0 HB3 LEU B 79 -3.293 1.185 4.322 1.00 0.44 H new ATOM 0 HG LEU B 79 -4.592 0.011 2.524 1.00 0.37 H new ATOM 0 HD11 LEU B 79 -4.712 1.065 0.302 1.00 0.38 H new ATOM 0 HD12 LEU B 79 -5.671 1.952 1.511 1.00 0.38 H new ATOM 0 HD13 LEU B 79 -4.088 2.581 0.994 1.00 0.38 H new ATOM 0 HD21 LEU B 79 -2.686 -0.160 0.971 1.00 0.41 H new ATOM 0 HD22 LEU B 79 -1.973 1.301 1.696 1.00 0.41 H new ATOM 0 HD23 LEU B 79 -2.160 -0.176 2.671 1.00 0.41 H new ATOM 2052 N ALA B 80 -5.626 0.126 5.632 1.00 0.50 N ATOM 2053 CA ALA B 80 -6.228 -1.145 6.009 1.00 0.54 C ATOM 2054 C ALA B 80 -7.706 -0.991 6.354 1.00 0.58 C ATOM 2055 O ALA B 80 -8.504 -1.873 6.046 1.00 0.61 O ATOM 2056 CB ALA B 80 -5.474 -1.759 7.170 1.00 0.63 C ATOM 0 H ALA B 80 -4.896 0.451 6.266 1.00 0.50 H new ATOM 0 HA ALA B 80 -6.161 -1.811 5.149 1.00 0.54 H new ATOM 0 HB1 ALA B 80 -5.935 -2.709 7.442 1.00 0.63 H new ATOM 0 HB2 ALA B 80 -4.437 -1.928 6.881 1.00 0.63 H new ATOM 0 HB3 ALA B 80 -5.507 -1.082 8.024 1.00 0.63 H new ATOM 2062 N ASP B 81 -8.069 0.131 6.978 1.00 0.64 N ATOM 2063 CA ASP B 81 -9.470 0.406 7.315 1.00 0.70 C ATOM 2064 C ASP B 81 -10.323 0.369 6.058 1.00 0.60 C ATOM 2065 O ASP B 81 -11.422 -0.187 6.045 1.00 0.67 O ATOM 2066 CB ASP B 81 -9.627 1.772 7.990 1.00 0.78 C ATOM 2067 CG ASP B 81 -9.026 1.827 9.378 1.00 1.52 C ATOM 2068 OD1 ASP B 81 -9.628 1.268 10.318 1.00 2.30 O ATOM 2069 OD2 ASP B 81 -7.951 2.436 9.539 1.00 2.06 O ATOM 0 H ASP B 81 -7.416 0.862 7.260 1.00 0.64 H new ATOM 0 HA ASP B 81 -9.800 -0.364 8.013 1.00 0.70 H new ATOM 0 HB2 ASP B 81 -9.157 2.533 7.368 1.00 0.78 H new ATOM 0 HB3 ASP B 81 -10.687 2.020 8.050 1.00 0.78 H new ATOM 2074 N ILE B 82 -9.790 0.958 4.996 1.00 0.50 N ATOM 2075 CA ILE B 82 -10.430 0.941 3.693 1.00 0.44 C ATOM 2076 C ILE B 82 -10.648 -0.495 3.221 1.00 0.48 C ATOM 2077 O ILE B 82 -11.753 -0.873 2.831 1.00 0.60 O ATOM 2078 CB ILE B 82 -9.574 1.709 2.662 1.00 0.41 C ATOM 2079 CG1 ILE B 82 -9.578 3.206 2.987 1.00 0.51 C ATOM 2080 CG2 ILE B 82 -10.063 1.454 1.245 1.00 0.46 C ATOM 2081 CD1 ILE B 82 -8.701 4.032 2.070 1.00 0.61 C ATOM 0 H ILE B 82 -8.902 1.460 5.016 1.00 0.50 H new ATOM 0 HA ILE B 82 -11.399 1.431 3.783 1.00 0.44 H new ATOM 0 HB ILE B 82 -8.549 1.344 2.723 1.00 0.41 H new ATOM 0 HG12 ILE B 82 -10.601 3.578 2.929 1.00 0.51 H new ATOM 0 HG13 ILE B 82 -9.246 3.346 4.016 1.00 0.51 H new ATOM 0 HG21 ILE B 82 -9.442 2.007 0.541 1.00 0.46 H new ATOM 0 HG22 ILE B 82 -10.000 0.388 1.025 1.00 0.46 H new ATOM 0 HG23 ILE B 82 -11.098 1.783 1.152 1.00 0.46 H new ATOM 0 HD11 ILE B 82 -8.755 5.081 2.362 1.00 0.61 H new ATOM 0 HD12 ILE B 82 -7.670 3.687 2.145 1.00 0.61 H new ATOM 0 HD13 ILE B 82 -9.046 3.923 1.042 1.00 0.61 H new ATOM 2088 N LEU B 83 -9.594 -1.297 3.299 1.00 0.44 N ATOM 2089 CA LEU B 83 -9.641 -2.689 2.862 1.00 0.52 C ATOM 2090 C LEU B 83 -10.569 -3.519 3.752 1.00 0.69 C ATOM 2091 O LEU B 83 -11.175 -4.490 3.295 1.00 0.83 O ATOM 2092 CB LEU B 83 -8.233 -3.296 2.855 1.00 0.47 C ATOM 2093 CG LEU B 83 -7.378 -3.000 1.611 1.00 0.39 C ATOM 2094 CD1 LEU B 83 -7.193 -1.504 1.395 1.00 0.32 C ATOM 2095 CD2 LEU B 83 -6.026 -3.682 1.735 1.00 0.43 C ATOM 0 H LEU B 83 -8.687 -1.005 3.664 1.00 0.44 H new ATOM 0 HA LEU B 83 -10.039 -2.707 1.848 1.00 0.52 H new ATOM 0 HB2 LEU B 83 -7.698 -2.934 3.733 1.00 0.47 H new ATOM 0 HB3 LEU B 83 -8.324 -4.377 2.960 1.00 0.47 H new ATOM 0 HG LEU B 83 -7.906 -3.395 0.743 1.00 0.39 H new ATOM 0 HD11 LEU B 83 -6.584 -1.337 0.507 1.00 0.32 H new ATOM 0 HD12 LEU B 83 -8.167 -1.033 1.261 1.00 0.32 H new ATOM 0 HD13 LEU B 83 -6.696 -1.070 2.263 1.00 0.32 H new ATOM 0 HD21 LEU B 83 -5.427 -3.467 0.850 1.00 0.43 H new ATOM 0 HD22 LEU B 83 -5.511 -3.310 2.621 1.00 0.43 H new ATOM 0 HD23 LEU B 83 -6.169 -4.759 1.824 1.00 0.43 H new ATOM 2107 N ASN B 84 -10.680 -3.131 5.021 1.00 0.74 N ATOM 2108 CA ASN B 84 -11.587 -3.797 5.956 1.00 0.94 C ATOM 2109 C ASN B 84 -13.024 -3.707 5.464 1.00 0.97 C ATOM 2110 O ASN B 84 -13.774 -4.681 5.514 1.00 1.14 O ATOM 2111 CB ASN B 84 -11.501 -3.177 7.359 1.00 1.03 C ATOM 2112 CG ASN B 84 -10.384 -3.748 8.217 1.00 1.27 C ATOM 2113 OD1 ASN B 84 -9.274 -4.113 7.604 1.00 1.83 O flip ATOM 2114 ND2 ASN B 84 -10.518 -3.845 9.435 1.00 1.79 N flip ATOM 0 H ASN B 84 -10.153 -2.358 5.427 1.00 0.74 H new ATOM 0 HA ASN B 84 -11.281 -4.842 6.012 1.00 0.94 H new ATOM 0 HB2 ASN B 84 -11.357 -2.101 7.262 1.00 1.03 H new ATOM 0 HB3 ASN B 84 -12.452 -3.327 7.871 1.00 1.03 H new ATOM 0 HD21 ASN B 84 -11.390 -3.553 9.877 1.00 1.79 H new ATOM 0 HD22 ASN B 84 -9.757 -4.217 10.004 1.00 1.79 H new ATOM 2121 N SER B 85 -13.399 -2.530 4.988 1.00 0.87 N ATOM 2122 CA SER B 85 -14.752 -2.293 4.512 1.00 0.93 C ATOM 2123 C SER B 85 -14.909 -2.690 3.045 1.00 0.91 C ATOM 2124 O SER B 85 -16.011 -2.998 2.590 1.00 1.01 O ATOM 2125 CB SER B 85 -15.109 -0.821 4.708 1.00 0.97 C ATOM 2126 OG SER B 85 -14.057 0.020 4.259 1.00 1.50 O ATOM 0 H SER B 85 -12.782 -1.721 4.921 1.00 0.87 H new ATOM 0 HA SER B 85 -15.435 -2.914 5.092 1.00 0.93 H new ATOM 0 HB2 SER B 85 -16.024 -0.589 4.162 1.00 0.97 H new ATOM 0 HB3 SER B 85 -15.309 -0.628 5.762 1.00 0.97 H new ATOM 0 HG SER B 85 -13.465 -0.486 3.664 1.00 1.50 H new ATOM 2132 N ALA B 86 -13.809 -2.691 2.307 1.00 0.88 N ATOM 2133 CA ALA B 86 -13.848 -2.984 0.882 1.00 0.95 C ATOM 2134 C ALA B 86 -13.202 -4.331 0.575 1.00 1.14 C ATOM 2135 O ALA B 86 -12.272 -4.424 -0.226 1.00 1.70 O ATOM 2136 CB ALA B 86 -13.170 -1.872 0.097 1.00 1.09 C ATOM 0 H ALA B 86 -12.877 -2.492 2.672 1.00 0.88 H new ATOM 0 HA ALA B 86 -14.893 -3.042 0.577 1.00 0.95 H new ATOM 0 HB1 ALA B 86 -13.206 -2.104 -0.967 1.00 1.09 H new ATOM 0 HB2 ALA B 86 -13.686 -0.930 0.281 1.00 1.09 H new ATOM 0 HB3 ALA B 86 -12.131 -1.784 0.414 1.00 1.09 H new ATOM 2142 N SER B 87 -13.693 -5.375 1.221 1.00 1.42 N ATOM 2143 CA SER B 87 -13.203 -6.719 0.971 1.00 1.71 C ATOM 2144 C SER B 87 -13.946 -7.335 -0.212 1.00 1.54 C ATOM 2145 O SER B 87 -15.027 -7.903 -0.054 1.00 1.80 O ATOM 2146 CB SER B 87 -13.374 -7.573 2.223 1.00 2.36 C ATOM 2147 OG SER B 87 -12.764 -6.948 3.341 1.00 3.09 O ATOM 0 H SER B 87 -14.431 -5.317 1.923 1.00 1.42 H new ATOM 0 HA SER B 87 -12.142 -6.676 0.724 1.00 1.71 H new ATOM 0 HB2 SER B 87 -14.434 -7.730 2.421 1.00 2.36 H new ATOM 0 HB3 SER B 87 -12.931 -8.556 2.063 1.00 2.36 H new ATOM 0 HG SER B 87 -12.201 -6.207 3.035 1.00 3.09 H new ATOM 2153 N ARG B 88 -13.372 -7.190 -1.399 1.00 1.61 N ATOM 2154 CA ARG B 88 -14.005 -7.663 -2.625 1.00 1.65 C ATOM 2155 C ARG B 88 -14.008 -9.186 -2.712 1.00 1.89 C ATOM 2156 O ARG B 88 -12.988 -9.839 -2.485 1.00 2.39 O ATOM 2157 CB ARG B 88 -13.301 -7.083 -3.851 1.00 2.06 C ATOM 2158 CG ARG B 88 -13.470 -5.582 -4.003 1.00 2.62 C ATOM 2159 CD ARG B 88 -12.858 -5.091 -5.304 1.00 3.31 C ATOM 2160 NE ARG B 88 -13.089 -3.665 -5.521 1.00 4.01 N ATOM 2161 CZ ARG B 88 -13.274 -3.115 -6.722 1.00 4.75 C ATOM 2162 NH1 ARG B 88 -13.366 -3.877 -7.804 1.00 5.00 N ATOM 2163 NH2 ARG B 88 -13.411 -1.805 -6.839 1.00 5.55 N ATOM 0 H ARG B 88 -12.464 -6.746 -1.540 1.00 1.61 H new ATOM 0 HA ARG B 88 -15.040 -7.322 -2.603 1.00 1.65 H new ATOM 0 HB2 ARG B 88 -12.238 -7.315 -3.791 1.00 2.06 H new ATOM 0 HB3 ARG B 88 -13.685 -7.575 -4.745 1.00 2.06 H new ATOM 0 HG2 ARG B 88 -14.530 -5.328 -3.977 1.00 2.62 H new ATOM 0 HG3 ARG B 88 -13.000 -5.073 -3.162 1.00 2.62 H new ATOM 0 HD2 ARG B 88 -11.786 -5.286 -5.295 1.00 3.31 H new ATOM 0 HD3 ARG B 88 -13.278 -5.656 -6.136 1.00 3.31 H new ATOM 0 HE ARG B 88 -13.110 -3.053 -4.705 1.00 4.01 H new ATOM 0 HH11 ARG B 88 -13.295 -4.891 -7.721 1.00 5.00 H new ATOM 0 HH12 ARG B 88 -13.507 -3.449 -8.719 1.00 5.00 H new ATOM 0 HH21 ARG B 88 -13.375 -1.212 -6.010 1.00 5.55 H new ATOM 0 HH22 ARG B 88 -13.552 -1.387 -7.759 1.00 5.55 H new ATOM 2177 N VAL B 89 -15.167 -9.738 -3.041 1.00 2.00 N ATOM 2178 CA VAL B 89 -15.311 -11.171 -3.245 1.00 2.42 C ATOM 2179 C VAL B 89 -15.865 -11.441 -4.646 1.00 2.25 C ATOM 2180 O VAL B 89 -17.081 -11.507 -4.840 1.00 2.29 O ATOM 2181 CB VAL B 89 -16.242 -11.810 -2.188 1.00 3.06 C ATOM 2182 CG1 VAL B 89 -16.321 -13.318 -2.375 1.00 3.58 C ATOM 2183 CG2 VAL B 89 -15.774 -11.472 -0.780 1.00 3.55 C ATOM 0 H VAL B 89 -16.029 -9.209 -3.173 1.00 2.00 H new ATOM 0 HA VAL B 89 -14.324 -11.622 -3.140 1.00 2.42 H new ATOM 0 HB VAL B 89 -17.241 -11.396 -2.327 1.00 3.06 H new ATOM 0 HG11 VAL B 89 -16.982 -13.744 -1.620 1.00 3.58 H new ATOM 0 HG12 VAL B 89 -16.712 -13.542 -3.367 1.00 3.58 H new ATOM 0 HG13 VAL B 89 -15.326 -13.750 -2.272 1.00 3.58 H new ATOM 0 HG21 VAL B 89 -16.444 -11.932 -0.054 1.00 3.55 H new ATOM 0 HG22 VAL B 89 -14.763 -11.851 -0.632 1.00 3.55 H new ATOM 0 HG23 VAL B 89 -15.780 -10.390 -0.645 1.00 3.55 H new ATOM 2187 N PRO B 90 -14.978 -11.555 -5.648 1.00 2.60 N ATOM 2188 CA PRO B 90 -15.374 -11.824 -7.036 1.00 2.83 C ATOM 2189 C PRO B 90 -16.034 -13.191 -7.196 1.00 2.80 C ATOM 2190 O PRO B 90 -15.367 -14.226 -7.154 1.00 3.31 O ATOM 2191 CB PRO B 90 -14.051 -11.775 -7.812 1.00 3.67 C ATOM 2192 CG PRO B 90 -13.097 -11.067 -6.913 1.00 3.95 C ATOM 2193 CD PRO B 90 -13.522 -11.410 -5.517 1.00 3.28 C ATOM 0 HA PRO B 90 -16.113 -11.105 -7.390 1.00 2.83 H new ATOM 0 HB2 PRO B 90 -13.697 -12.778 -8.050 1.00 3.67 H new ATOM 0 HB3 PRO B 90 -14.168 -11.245 -8.757 1.00 3.67 H new ATOM 0 HG2 PRO B 90 -12.072 -11.388 -7.100 1.00 3.95 H new ATOM 0 HG3 PRO B 90 -13.129 -9.990 -7.078 1.00 3.95 H new ATOM 0 HD2 PRO B 90 -13.054 -12.329 -5.166 1.00 3.28 H new ATOM 0 HD3 PRO B 90 -13.255 -10.626 -4.809 1.00 3.28 H new ATOM 2201 N GLU B 91 -17.347 -13.187 -7.363 1.00 2.59 N ATOM 2202 CA GLU B 91 -18.102 -14.418 -7.540 1.00 2.75 C ATOM 2203 C GLU B 91 -18.029 -14.891 -8.985 1.00 2.55 C ATOM 2204 O GLU B 91 -18.285 -14.120 -9.912 1.00 2.94 O ATOM 2205 CB GLU B 91 -19.557 -14.205 -7.127 1.00 3.30 C ATOM 2206 CG GLU B 91 -19.743 -14.034 -5.629 1.00 3.94 C ATOM 2207 CD GLU B 91 -19.462 -15.314 -4.868 1.00 4.58 C ATOM 2208 OE1 GLU B 91 -18.282 -15.588 -4.566 1.00 5.08 O ATOM 2209 OE2 GLU B 91 -20.418 -16.060 -4.582 1.00 5.01 O ATOM 0 H GLU B 91 -17.915 -12.340 -7.380 1.00 2.59 H new ATOM 0 HA GLU B 91 -17.662 -15.187 -6.905 1.00 2.75 H new ATOM 0 HB2 GLU B 91 -19.946 -13.323 -7.636 1.00 3.30 H new ATOM 0 HB3 GLU B 91 -20.150 -15.055 -7.464 1.00 3.30 H new ATOM 0 HG2 GLU B 91 -19.080 -13.247 -5.270 1.00 3.94 H new ATOM 0 HG3 GLU B 91 -20.763 -13.709 -5.426 1.00 3.94 H new ATOM 2216 N SER B 92 -17.677 -16.153 -9.174 1.00 2.56 N ATOM 2217 CA SER B 92 -17.561 -16.718 -10.504 1.00 2.76 C ATOM 2218 C SER B 92 -17.673 -18.240 -10.433 1.00 2.95 C ATOM 2219 O SER B 92 -16.653 -18.905 -10.146 1.00 3.07 O ATOM 2220 CB SER B 92 -16.233 -16.296 -11.147 1.00 3.61 C ATOM 2221 OG SER B 92 -16.227 -16.554 -12.543 1.00 4.13 O ATOM 2222 OXT SER B 92 -18.785 -18.765 -10.650 1.00 3.54 O ATOM 0 H SER B 92 -17.467 -16.805 -8.419 1.00 2.56 H new ATOM 0 HA SER B 92 -18.373 -16.340 -11.125 1.00 2.76 H new ATOM 0 HB2 SER B 92 -16.064 -15.234 -10.971 1.00 3.61 H new ATOM 0 HB3 SER B 92 -15.411 -16.833 -10.673 1.00 3.61 H new ATOM 0 HG SER B 92 -15.369 -16.273 -12.924 1.00 4.13 H new TER 2228 SER B 92