USER MOD reduce.3.24.130724 H: found=0, std=0, add=1012, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1007 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 THR OG1 : rot -1:sc= 0.642 USER MOD Set 1.2: A 57 SER OG : rot 18:sc= 0.636 USER MOD Set 2.1: A 27 GLN : amide:sc= -5.62! C(o=-4.5!,f=-7.7!) USER MOD Set 2.2: A 101 LYS NZ :NH3+ -104:sc= 1.15 (180deg=-1.3!) USER MOD Single : A 1 GLY N :NH3+ 146:sc= 0.053 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.176 K(o=-0.18,f=-1.1) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.22 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 91:sc= -1.37 USER MOD Single : A 42 HIS : no HD1:sc= 1.01 K(o=1,f=-4.5!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot -34:sc= 0.648 USER MOD Single : A 48 ASN : amide:sc= -2.86! C(o=-2.9!,f=-3.9!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HE2:sc= -0.202 K(o=-0.2,f=-0.84) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.904 K(o=-0.9,f=-0.25) USER MOD Single : A 68 LYS NZ :NH3+ 160:sc= -0.362 (180deg=-0.684) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0311 USER MOD Single : A 70 TYR OH : rot 180:sc= -1.63 USER MOD Single : A 71 SER OG : rot -30:sc= 0.376 USER MOD Single : A 72 MET CE :methyl -141:sc= -7.47! (180deg=-12.1!) USER MOD Single : A 75 ASN : amide:sc=-0.00608 X(o=-0.0061,f=-0.079) USER MOD Single : A 76 ASN : amide:sc= -3.3! C(o=-3.3!,f=-3.6!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 33:sc= 0.894 USER MOD Single : A 87 SER OG : rot -37:sc= -0.0124 USER MOD Single : A 88 LYS NZ :NH3+ 138:sc= -0.821 (180deg=-2.91) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -19:sc= 0.243 USER MOD Single : A 99 CYS SG : rot 1:sc= -0.337 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot -150:sc= -0.322 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc=-0.00399 USER MOD Single : A 113 GLN : amide:sc= -0.0244 X(o=-0.024,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 CYS SG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 141:sc= -0.203 (180deg=-1.12) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.564 -43.770 31.342 1.00 0.00 N ATOM 2 CA GLY A 1 -3.618 -44.617 30.811 1.00 0.00 C ATOM 3 C GLY A 1 -4.668 -43.787 30.070 1.00 0.00 C ATOM 4 O GLY A 1 -4.899 -42.627 30.408 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.223 -44.163 32.243 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.777 -43.728 30.663 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.936 -42.812 31.501 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.189 -45.356 30.134 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.092 -45.167 31.624 1.00 0.00 H new ATOM 8 N SER A 2 -5.275 -44.414 29.073 1.00 0.00 N ATOM 9 CA SER A 2 -6.295 -43.748 28.281 1.00 0.00 C ATOM 10 C SER A 2 -5.690 -42.545 27.554 1.00 0.00 C ATOM 11 O SER A 2 -4.588 -42.108 27.880 1.00 0.00 O ATOM 12 CB SER A 2 -7.469 -43.303 29.156 1.00 0.00 C ATOM 13 OG SER A 2 -8.416 -44.349 29.350 1.00 0.00 O ATOM 0 H SER A 2 -5.080 -45.376 28.796 1.00 0.00 H new ATOM 0 HA SER A 2 -6.674 -44.457 27.545 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.094 -42.969 30.124 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.962 -42.448 28.693 1.00 0.00 H new ATOM 0 HG SER A 2 -9.149 -44.026 29.915 1.00 0.00 H new ATOM 19 N SER A 3 -6.438 -42.045 26.581 1.00 0.00 N ATOM 20 CA SER A 3 -5.990 -40.902 25.805 1.00 0.00 C ATOM 21 C SER A 3 -6.499 -39.606 26.439 1.00 0.00 C ATOM 22 O SER A 3 -7.580 -39.580 27.025 1.00 0.00 O ATOM 23 CB SER A 3 -6.462 -41.003 24.353 1.00 0.00 C ATOM 24 OG SER A 3 -5.870 -42.107 23.675 1.00 0.00 O ATOM 0 H SER A 3 -7.351 -42.411 26.313 1.00 0.00 H new ATOM 0 HA SER A 3 -4.900 -40.895 25.805 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.547 -41.103 24.331 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.216 -40.080 23.827 1.00 0.00 H new ATOM 0 HG SER A 3 -6.198 -42.138 22.752 1.00 0.00 H new ATOM 30 N GLY A 4 -5.695 -38.562 26.301 1.00 0.00 N ATOM 31 CA GLY A 4 -6.050 -37.265 26.854 1.00 0.00 C ATOM 32 C GLY A 4 -5.569 -36.132 25.946 1.00 0.00 C ATOM 33 O GLY A 4 -4.398 -36.085 25.572 1.00 0.00 O ATOM 0 H GLY A 4 -4.799 -38.587 25.814 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.131 -37.202 26.978 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.608 -37.155 27.844 1.00 0.00 H new ATOM 37 N SER A 5 -6.498 -35.246 25.617 1.00 0.00 N ATOM 38 CA SER A 5 -6.183 -34.115 24.760 1.00 0.00 C ATOM 39 C SER A 5 -6.846 -32.847 25.301 1.00 0.00 C ATOM 40 O SER A 5 -7.887 -32.917 25.953 1.00 0.00 O ATOM 41 CB SER A 5 -6.630 -34.375 23.320 1.00 0.00 C ATOM 42 OG SER A 5 -5.739 -35.250 22.634 1.00 0.00 O ATOM 0 H SER A 5 -7.468 -35.288 25.928 1.00 0.00 H new ATOM 0 HA SER A 5 -5.102 -33.978 24.758 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.631 -34.807 23.323 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.693 -33.428 22.783 1.00 0.00 H new ATOM 0 HG SER A 5 -6.060 -35.392 21.719 1.00 0.00 H new ATOM 48 N SER A 6 -6.217 -31.718 25.011 1.00 0.00 N ATOM 49 CA SER A 6 -6.733 -30.437 25.460 1.00 0.00 C ATOM 50 C SER A 6 -6.020 -29.299 24.727 1.00 0.00 C ATOM 51 O SER A 6 -4.923 -29.485 24.203 1.00 0.00 O ATOM 52 CB SER A 6 -6.570 -30.277 26.973 1.00 0.00 C ATOM 53 OG SER A 6 -5.230 -29.955 27.335 1.00 0.00 O ATOM 0 H SER A 6 -5.354 -31.664 24.470 1.00 0.00 H new ATOM 0 HA SER A 6 -7.798 -30.398 25.230 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.240 -29.494 27.329 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.867 -31.201 27.469 1.00 0.00 H new ATOM 0 HG SER A 6 -5.168 -29.860 28.308 1.00 0.00 H new ATOM 59 N GLY A 7 -6.673 -28.146 24.713 1.00 0.00 N ATOM 60 CA GLY A 7 -6.115 -26.978 24.052 1.00 0.00 C ATOM 61 C GLY A 7 -6.777 -25.694 24.556 1.00 0.00 C ATOM 62 O GLY A 7 -7.891 -25.730 25.079 1.00 0.00 O ATOM 0 H GLY A 7 -7.583 -27.996 25.149 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.041 -26.932 24.232 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.254 -27.064 22.974 1.00 0.00 H new ATOM 66 N VAL A 8 -6.064 -24.591 24.383 1.00 0.00 N ATOM 67 CA VAL A 8 -6.569 -23.299 24.814 1.00 0.00 C ATOM 68 C VAL A 8 -7.279 -22.617 23.643 1.00 0.00 C ATOM 69 O VAL A 8 -6.654 -22.303 22.631 1.00 0.00 O ATOM 70 CB VAL A 8 -5.429 -22.459 25.393 1.00 0.00 C ATOM 71 CG1 VAL A 8 -5.890 -21.026 25.671 1.00 0.00 C ATOM 72 CG2 VAL A 8 -4.857 -23.106 26.656 1.00 0.00 C ATOM 0 H VAL A 8 -5.141 -24.565 23.950 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.302 -23.422 25.611 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.633 -22.417 24.649 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.061 -20.450 26.082 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.226 -20.565 24.742 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.712 -21.041 26.387 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.048 -22.488 27.047 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.642 -23.194 27.407 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.473 -24.097 26.415 1.00 0.00 H new ATOM 82 N VAL A 9 -8.575 -22.408 23.819 1.00 0.00 N ATOM 83 CA VAL A 9 -9.377 -21.769 22.789 1.00 0.00 C ATOM 84 C VAL A 9 -9.303 -20.250 22.960 1.00 0.00 C ATOM 85 O VAL A 9 -9.266 -19.749 24.083 1.00 0.00 O ATOM 86 CB VAL A 9 -10.809 -22.306 22.832 1.00 0.00 C ATOM 87 CG1 VAL A 9 -11.792 -21.296 22.236 1.00 0.00 C ATOM 88 CG2 VAL A 9 -10.910 -23.655 22.118 1.00 0.00 C ATOM 0 H VAL A 9 -9.090 -22.670 24.660 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.985 -22.004 21.799 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.078 -22.459 23.877 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -12.802 -21.703 22.279 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.750 -20.368 22.806 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.525 -21.097 21.198 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.938 -24.014 22.163 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.612 -23.538 21.076 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.252 -24.375 22.605 1.00 0.00 H new ATOM 98 N ALA A 10 -9.284 -19.559 21.830 1.00 0.00 N ATOM 99 CA ALA A 10 -9.215 -18.108 21.840 1.00 0.00 C ATOM 100 C ALA A 10 -10.287 -17.544 20.906 1.00 0.00 C ATOM 101 O ALA A 10 -10.171 -17.652 19.686 1.00 0.00 O ATOM 102 CB ALA A 10 -7.806 -17.661 21.448 1.00 0.00 C ATOM 0 H ALA A 10 -9.315 -19.978 20.900 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.413 -17.721 22.840 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.754 -16.572 21.456 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.085 -18.063 22.160 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.573 -18.028 20.449 1.00 0.00 H new ATOM 108 N PRO A 11 -11.333 -16.938 21.529 1.00 0.00 N ATOM 109 CA PRO A 11 -12.425 -16.357 20.767 1.00 0.00 C ATOM 110 C PRO A 11 -12.000 -15.037 20.121 1.00 0.00 C ATOM 111 O PRO A 11 -11.722 -14.062 20.818 1.00 0.00 O ATOM 112 CB PRO A 11 -13.559 -16.193 21.765 1.00 0.00 C ATOM 113 CG PRO A 11 -12.914 -16.252 23.141 1.00 0.00 C ATOM 114 CD PRO A 11 -11.503 -16.792 22.972 1.00 0.00 C ATOM 0 HA PRO A 11 -12.736 -16.985 19.932 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -14.076 -15.245 21.616 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -14.301 -16.983 21.647 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.892 -15.261 23.595 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.491 -16.894 23.806 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.764 -16.108 23.391 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -11.380 -17.746 23.484 1.00 0.00 H new ATOM 122 N ILE A 12 -11.964 -15.047 18.797 1.00 0.00 N ATOM 123 CA ILE A 12 -11.578 -13.862 18.049 1.00 0.00 C ATOM 124 C ILE A 12 -12.615 -12.761 18.277 1.00 0.00 C ATOM 125 O ILE A 12 -13.810 -13.038 18.369 1.00 0.00 O ATOM 126 CB ILE A 12 -11.360 -14.206 16.575 1.00 0.00 C ATOM 127 CG1 ILE A 12 -12.515 -15.049 16.031 1.00 0.00 C ATOM 128 CG2 ILE A 12 -10.006 -14.887 16.365 1.00 0.00 C ATOM 129 CD1 ILE A 12 -12.812 -14.697 14.572 1.00 0.00 C ATOM 0 H ILE A 12 -12.196 -15.857 18.222 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.622 -13.480 18.407 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.345 -13.276 16.007 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.266 -16.107 16.110 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -13.406 -14.885 16.637 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.876 -15.121 15.308 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.208 -14.219 16.689 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.967 -15.807 16.948 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -13.637 -15.311 14.210 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -13.084 -13.644 14.500 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.927 -14.885 13.965 1.00 0.00 H new ATOM 141 N THR A 13 -12.121 -11.534 18.360 1.00 0.00 N ATOM 142 CA THR A 13 -12.990 -10.390 18.575 1.00 0.00 C ATOM 143 C THR A 13 -12.978 -9.474 17.350 1.00 0.00 C ATOM 144 O THR A 13 -11.917 -9.173 16.806 1.00 0.00 O ATOM 145 CB THR A 13 -12.543 -9.691 19.860 1.00 0.00 C ATOM 146 OG1 THR A 13 -11.297 -9.092 19.515 1.00 0.00 O ATOM 147 CG2 THR A 13 -12.185 -10.681 20.971 1.00 0.00 C ATOM 0 H THR A 13 -11.130 -11.308 18.282 1.00 0.00 H new ATOM 0 HA THR A 13 -14.027 -10.700 18.701 1.00 0.00 H new ATOM 0 HB THR A 13 -13.335 -9.027 20.206 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.937 -8.615 20.292 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.874 -10.133 21.861 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.055 -11.293 21.207 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.370 -11.323 20.637 1.00 0.00 H new ATOM 155 N THR A 14 -14.171 -9.056 16.951 1.00 0.00 N ATOM 156 CA THR A 14 -14.311 -8.180 15.800 1.00 0.00 C ATOM 157 C THR A 14 -13.126 -7.216 15.717 1.00 0.00 C ATOM 158 O THR A 14 -12.694 -6.668 16.730 1.00 0.00 O ATOM 159 CB THR A 14 -15.664 -7.474 15.906 1.00 0.00 C ATOM 160 OG1 THR A 14 -15.428 -6.186 15.344 1.00 0.00 O ATOM 161 CG2 THR A 14 -16.060 -7.181 17.355 1.00 0.00 C ATOM 0 H THR A 14 -15.049 -9.308 17.404 1.00 0.00 H new ATOM 0 HA THR A 14 -14.295 -8.745 14.868 1.00 0.00 H new ATOM 0 HB THR A 14 -16.432 -8.089 15.437 1.00 0.00 H new ATOM 0 HG1 THR A 14 -16.255 -5.661 15.371 1.00 0.00 H new ATOM 0 HG21 THR A 14 -17.028 -6.680 17.373 1.00 0.00 H new ATOM 0 HG22 THR A 14 -16.125 -8.116 17.911 1.00 0.00 H new ATOM 0 HG23 THR A 14 -15.309 -6.538 17.814 1.00 0.00 H new ATOM 169 N GLY A 15 -12.634 -7.037 14.500 1.00 0.00 N ATOM 170 CA GLY A 15 -11.508 -6.148 14.270 1.00 0.00 C ATOM 171 C GLY A 15 -10.427 -6.838 13.436 1.00 0.00 C ATOM 172 O GLY A 15 -9.867 -7.850 13.853 1.00 0.00 O ATOM 0 H GLY A 15 -12.995 -7.493 13.662 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -11.849 -5.248 13.758 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.089 -5.831 15.225 1.00 0.00 H new ATOM 176 N TYR A 16 -10.165 -6.261 12.272 1.00 0.00 N ATOM 177 CA TYR A 16 -9.160 -6.807 11.376 1.00 0.00 C ATOM 178 C TYR A 16 -8.966 -5.905 10.155 1.00 0.00 C ATOM 179 O TYR A 16 -9.618 -4.869 10.034 1.00 0.00 O ATOM 180 CB TYR A 16 -9.700 -8.162 10.913 1.00 0.00 C ATOM 181 CG TYR A 16 -10.668 -8.076 9.732 1.00 0.00 C ATOM 182 CD1 TYR A 16 -11.475 -6.966 9.580 1.00 0.00 C ATOM 183 CD2 TYR A 16 -10.735 -9.108 8.817 1.00 0.00 C ATOM 184 CE1 TYR A 16 -12.386 -6.885 8.468 1.00 0.00 C ATOM 185 CE2 TYR A 16 -11.647 -9.026 7.705 1.00 0.00 C ATOM 186 CZ TYR A 16 -12.427 -7.919 7.586 1.00 0.00 C ATOM 187 OH TYR A 16 -13.288 -7.842 6.536 1.00 0.00 O ATOM 0 H TYR A 16 -10.631 -5.421 11.929 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.199 -6.891 11.883 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.861 -8.800 10.636 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -10.205 -8.645 11.749 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -11.423 -6.158 10.295 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -10.104 -9.976 8.935 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -13.022 -6.022 8.337 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -11.710 -9.826 6.982 1.00 0.00 H new ATOM 0 HH TYR A 16 -13.209 -8.651 5.988 1.00 0.00 H new ATOM 197 N THR A 17 -8.066 -6.332 9.281 1.00 0.00 N ATOM 198 CA THR A 17 -7.778 -5.576 8.074 1.00 0.00 C ATOM 199 C THR A 17 -7.745 -6.504 6.859 1.00 0.00 C ATOM 200 O THR A 17 -7.338 -7.659 6.966 1.00 0.00 O ATOM 201 CB THR A 17 -6.469 -4.815 8.294 1.00 0.00 C ATOM 202 OG1 THR A 17 -5.894 -5.437 9.440 1.00 0.00 O ATOM 203 CG2 THR A 17 -6.699 -3.367 8.732 1.00 0.00 C ATOM 0 H THR A 17 -7.527 -7.192 9.385 1.00 0.00 H new ATOM 0 HA THR A 17 -8.562 -4.848 7.866 1.00 0.00 H new ATOM 0 HB THR A 17 -5.884 -4.827 7.374 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.040 -5.006 9.652 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.738 -2.873 8.874 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.268 -2.841 7.965 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.256 -3.354 9.669 1.00 0.00 H new ATOM 211 N VAL A 18 -8.179 -5.963 5.729 1.00 0.00 N ATOM 212 CA VAL A 18 -8.204 -6.728 4.495 1.00 0.00 C ATOM 213 C VAL A 18 -6.787 -6.815 3.924 1.00 0.00 C ATOM 214 O VAL A 18 -5.973 -5.917 4.135 1.00 0.00 O ATOM 215 CB VAL A 18 -9.205 -6.110 3.516 1.00 0.00 C ATOM 216 CG1 VAL A 18 -8.986 -6.641 2.098 1.00 0.00 C ATOM 217 CG2 VAL A 18 -10.644 -6.354 3.977 1.00 0.00 C ATOM 0 H VAL A 18 -8.516 -5.004 5.643 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.541 -7.747 4.685 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.036 -5.033 3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.711 -6.186 1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.977 -6.393 1.768 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.114 -7.723 2.091 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.336 -5.905 3.264 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.830 -7.426 4.037 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.793 -5.905 4.959 1.00 0.00 H new ATOM 227 N LYS A 19 -6.535 -7.905 3.214 1.00 0.00 N ATOM 228 CA LYS A 19 -5.231 -8.121 2.612 1.00 0.00 C ATOM 229 C LYS A 19 -5.248 -7.608 1.170 1.00 0.00 C ATOM 230 O LYS A 19 -5.928 -8.173 0.315 1.00 0.00 O ATOM 231 CB LYS A 19 -4.819 -9.589 2.737 1.00 0.00 C ATOM 232 CG LYS A 19 -3.499 -9.725 3.499 1.00 0.00 C ATOM 233 CD LYS A 19 -2.915 -11.130 3.339 1.00 0.00 C ATOM 234 CE LYS A 19 -1.533 -11.078 2.686 1.00 0.00 C ATOM 235 NZ LYS A 19 -1.062 -12.442 2.359 1.00 0.00 N ATOM 0 H LYS A 19 -7.212 -8.648 3.042 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.468 -7.553 3.144 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.600 -10.147 3.253 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.717 -10.028 1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.786 -8.987 3.132 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.662 -9.513 4.556 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.842 -11.611 4.315 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.585 -11.739 2.732 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.575 -10.475 1.779 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.825 -10.594 3.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.122 -12.388 1.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.002 -13.007 3.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.730 -12.891 1.700 1.00 0.00 H new ATOM 249 N ILE A 20 -4.491 -6.544 0.945 1.00 0.00 N ATOM 250 CA ILE A 20 -4.411 -5.949 -0.378 1.00 0.00 C ATOM 251 C ILE A 20 -3.476 -6.786 -1.253 1.00 0.00 C ATOM 252 O ILE A 20 -2.358 -6.367 -1.549 1.00 0.00 O ATOM 253 CB ILE A 20 -4.007 -4.476 -0.279 1.00 0.00 C ATOM 254 CG1 ILE A 20 -4.892 -3.731 0.723 1.00 0.00 C ATOM 255 CG2 ILE A 20 -4.017 -3.812 -1.658 1.00 0.00 C ATOM 256 CD1 ILE A 20 -4.544 -2.242 0.759 1.00 0.00 C ATOM 0 H ILE A 20 -3.928 -6.079 1.657 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.389 -5.956 -0.859 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.985 -4.426 0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.940 -3.857 0.452 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.766 -4.162 1.716 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.726 -2.766 -1.560 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.313 -4.324 -2.314 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.019 -3.872 -2.083 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.187 -1.735 1.479 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.502 -2.119 1.054 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.695 -1.809 -0.230 1.00 0.00 H new ATOM 268 N SER A 21 -3.967 -7.953 -1.641 1.00 0.00 N ATOM 269 CA SER A 21 -3.189 -8.852 -2.476 1.00 0.00 C ATOM 270 C SER A 21 -2.976 -8.230 -3.857 1.00 0.00 C ATOM 271 O SER A 21 -1.873 -8.281 -4.401 1.00 0.00 O ATOM 272 CB SER A 21 -3.875 -10.214 -2.607 1.00 0.00 C ATOM 273 OG SER A 21 -3.004 -11.286 -2.260 1.00 0.00 O ATOM 0 H SER A 21 -4.894 -8.297 -1.393 1.00 0.00 H new ATOM 0 HA SER A 21 -2.220 -9.008 -2.001 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.755 -10.240 -1.965 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.224 -10.347 -3.631 1.00 0.00 H new ATOM 0 HG SER A 21 -3.479 -12.138 -2.355 1.00 0.00 H new ATOM 279 N ASN A 22 -4.047 -7.658 -4.386 1.00 0.00 N ATOM 280 CA ASN A 22 -3.991 -7.027 -5.693 1.00 0.00 C ATOM 281 C ASN A 22 -3.746 -5.526 -5.521 1.00 0.00 C ATOM 282 O ASN A 22 -4.548 -4.830 -4.900 1.00 0.00 O ATOM 283 CB ASN A 22 -5.308 -7.207 -6.450 1.00 0.00 C ATOM 284 CG ASN A 22 -5.079 -7.904 -7.792 1.00 0.00 C ATOM 285 OD1 ASN A 22 -4.022 -7.814 -8.395 1.00 0.00 O ATOM 286 ND2 ASN A 22 -6.126 -8.601 -8.225 1.00 0.00 N ATOM 0 H ASN A 22 -4.960 -7.618 -3.932 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.184 -7.495 -6.257 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.001 -7.792 -5.846 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.772 -6.235 -6.616 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.074 -9.102 -9.112 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.981 -8.634 -7.670 1.00 0.00 H new ATOM 293 N TYR A 23 -2.635 -5.072 -6.081 1.00 0.00 N ATOM 294 CA TYR A 23 -2.275 -3.667 -5.997 1.00 0.00 C ATOM 295 C TYR A 23 -1.469 -3.233 -7.223 1.00 0.00 C ATOM 296 O TYR A 23 -0.595 -3.964 -7.686 1.00 0.00 O ATOM 297 CB TYR A 23 -1.398 -3.530 -4.750 1.00 0.00 C ATOM 298 CG TYR A 23 -0.172 -4.446 -4.749 1.00 0.00 C ATOM 299 CD1 TYR A 23 0.974 -4.067 -5.417 1.00 0.00 C ATOM 300 CD2 TYR A 23 -0.213 -5.652 -4.078 1.00 0.00 C ATOM 301 CE1 TYR A 23 2.127 -4.929 -5.416 1.00 0.00 C ATOM 302 CE2 TYR A 23 0.940 -6.514 -4.076 1.00 0.00 C ATOM 303 CZ TYR A 23 2.054 -6.110 -4.745 1.00 0.00 C ATOM 304 OH TYR A 23 3.143 -6.925 -4.744 1.00 0.00 O ATOM 0 H TYR A 23 -1.972 -5.652 -6.595 1.00 0.00 H new ATOM 0 HA TYR A 23 -3.168 -3.044 -5.950 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -1.066 -2.495 -4.663 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -2.001 -3.746 -3.868 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.006 -3.123 -5.941 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.110 -5.949 -3.555 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.030 -4.644 -5.936 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.921 -7.460 -3.555 1.00 0.00 H new ATOM 0 HH TYR A 23 2.947 -7.733 -4.225 1.00 0.00 H new ATOM 314 N GLY A 24 -1.791 -2.045 -7.713 1.00 0.00 N ATOM 315 CA GLY A 24 -1.109 -1.505 -8.876 1.00 0.00 C ATOM 316 C GLY A 24 0.139 -0.720 -8.465 1.00 0.00 C ATOM 317 O GLY A 24 0.079 0.126 -7.574 1.00 0.00 O ATOM 0 H GLY A 24 -2.516 -1.441 -7.325 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.828 -2.317 -9.547 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.786 -0.855 -9.430 1.00 0.00 H new ATOM 321 N TRP A 25 1.240 -1.029 -9.133 1.00 0.00 N ATOM 322 CA TRP A 25 2.500 -0.364 -8.848 1.00 0.00 C ATOM 323 C TRP A 25 3.132 0.043 -10.181 1.00 0.00 C ATOM 324 O TRP A 25 2.963 -0.643 -11.187 1.00 0.00 O ATOM 325 CB TRP A 25 3.412 -1.255 -8.002 1.00 0.00 C ATOM 326 CG TRP A 25 4.038 -2.417 -8.775 1.00 0.00 C ATOM 327 CD1 TRP A 25 3.497 -3.611 -9.051 1.00 0.00 C ATOM 328 CD2 TRP A 25 5.356 -2.446 -9.364 1.00 0.00 C ATOM 329 NE1 TRP A 25 4.366 -4.405 -9.772 1.00 0.00 N ATOM 330 CE2 TRP A 25 5.532 -3.674 -9.968 1.00 0.00 C ATOM 331 CE3 TRP A 25 6.365 -1.468 -9.385 1.00 0.00 C ATOM 332 CZ2 TRP A 25 6.706 -4.038 -10.638 1.00 0.00 C ATOM 333 CZ3 TRP A 25 7.532 -1.846 -10.059 1.00 0.00 C ATOM 334 CH2 TRP A 25 7.725 -3.079 -10.672 1.00 0.00 C ATOM 0 H TRP A 25 1.286 -1.731 -9.871 1.00 0.00 H new ATOM 0 HA TRP A 25 2.336 0.533 -8.252 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.208 -0.643 -7.578 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.838 -1.655 -7.166 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.506 -3.914 -8.748 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.186 -5.354 -10.101 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.249 -0.501 -8.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 6.819 -5.006 -11.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 8.339 -1.130 -10.106 1.00 0.00 H new ATOM 0 HH2 TRP A 25 8.657 -3.296 -11.172 1.00 0.00 H new ATOM 345 N ASP A 26 3.847 1.158 -10.144 1.00 0.00 N ATOM 346 CA ASP A 26 4.505 1.665 -11.336 1.00 0.00 C ATOM 347 C ASP A 26 5.612 2.638 -10.928 1.00 0.00 C ATOM 348 O ASP A 26 5.400 3.506 -10.082 1.00 0.00 O ATOM 349 CB ASP A 26 3.519 2.419 -12.231 1.00 0.00 C ATOM 350 CG ASP A 26 2.052 2.023 -12.054 1.00 0.00 C ATOM 351 OD1 ASP A 26 1.708 0.905 -12.494 1.00 0.00 O ATOM 352 OD2 ASP A 26 1.307 2.848 -11.481 1.00 0.00 O ATOM 0 H ASP A 26 3.985 1.724 -9.307 1.00 0.00 H new ATOM 0 HA ASP A 26 4.912 0.815 -11.884 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.618 3.487 -12.036 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.800 2.258 -13.272 1.00 0.00 H new ATOM 357 N GLN A 27 6.770 2.462 -11.547 1.00 0.00 N ATOM 358 CA GLN A 27 7.911 3.314 -11.259 1.00 0.00 C ATOM 359 C GLN A 27 8.764 3.502 -12.515 1.00 0.00 C ATOM 360 O GLN A 27 8.628 2.752 -13.481 1.00 0.00 O ATOM 361 CB GLN A 27 8.745 2.743 -10.111 1.00 0.00 C ATOM 362 CG GLN A 27 9.240 1.333 -10.440 1.00 0.00 C ATOM 363 CD GLN A 27 10.304 1.368 -11.539 1.00 0.00 C ATOM 364 OE1 GLN A 27 11.042 2.327 -11.694 1.00 0.00 O ATOM 365 NE2 GLN A 27 10.341 0.271 -12.291 1.00 0.00 N ATOM 0 H GLN A 27 6.943 1.741 -12.248 1.00 0.00 H new ATOM 0 HA GLN A 27 7.541 4.290 -10.946 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.597 3.395 -9.916 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.147 2.719 -9.200 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.653 0.870 -9.544 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.401 0.715 -10.760 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.694 -0.496 -12.107 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.016 0.197 -13.052 1.00 0.00 H new ATOM 374 N SER A 28 9.625 4.508 -12.462 1.00 0.00 N ATOM 375 CA SER A 28 10.499 4.805 -13.584 1.00 0.00 C ATOM 376 C SER A 28 11.885 5.205 -13.075 1.00 0.00 C ATOM 377 O SER A 28 12.083 5.380 -11.873 1.00 0.00 O ATOM 378 CB SER A 28 9.915 5.914 -14.460 1.00 0.00 C ATOM 379 OG SER A 28 9.204 5.392 -15.579 1.00 0.00 O ATOM 0 H SER A 28 9.736 5.128 -11.659 1.00 0.00 H new ATOM 0 HA SER A 28 10.588 3.907 -14.195 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.246 6.534 -13.863 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.720 6.560 -14.811 1.00 0.00 H new ATOM 0 HG SER A 28 8.845 6.132 -16.112 1.00 0.00 H new ATOM 385 N ASP A 29 12.810 5.340 -14.014 1.00 0.00 N ATOM 386 CA ASP A 29 14.172 5.717 -13.676 1.00 0.00 C ATOM 387 C ASP A 29 14.163 7.089 -13.000 1.00 0.00 C ATOM 388 O ASP A 29 14.373 8.109 -13.656 1.00 0.00 O ATOM 389 CB ASP A 29 15.044 5.811 -14.929 1.00 0.00 C ATOM 390 CG ASP A 29 15.087 4.544 -15.785 1.00 0.00 C ATOM 391 OD1 ASP A 29 14.974 3.452 -15.188 1.00 0.00 O ATOM 392 OD2 ASP A 29 15.230 4.696 -17.017 1.00 0.00 O ATOM 0 H ASP A 29 12.643 5.195 -15.010 1.00 0.00 H new ATOM 0 HA ASP A 29 14.579 4.955 -13.011 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.682 6.635 -15.544 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.061 6.062 -14.627 1.00 0.00 H new ATOM 397 N LYS A 30 13.919 7.072 -11.698 1.00 0.00 N ATOM 398 CA LYS A 30 13.880 8.302 -10.927 1.00 0.00 C ATOM 399 C LYS A 30 13.368 8.000 -9.517 1.00 0.00 C ATOM 400 O LYS A 30 14.095 8.171 -8.539 1.00 0.00 O ATOM 401 CB LYS A 30 13.066 9.370 -11.661 1.00 0.00 C ATOM 402 CG LYS A 30 13.973 10.481 -12.194 1.00 0.00 C ATOM 403 CD LYS A 30 14.466 11.379 -11.057 1.00 0.00 C ATOM 404 CE LYS A 30 13.818 12.762 -11.130 1.00 0.00 C ATOM 405 NZ LYS A 30 14.638 13.676 -11.957 1.00 0.00 N ATOM 0 H LYS A 30 13.746 6.225 -11.157 1.00 0.00 H new ATOM 0 HA LYS A 30 14.883 8.716 -10.821 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.521 8.913 -12.487 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.324 9.795 -10.985 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.826 10.042 -12.712 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.430 11.079 -12.925 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.236 10.916 -10.097 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.550 11.478 -11.111 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.817 12.679 -11.553 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.707 13.172 -10.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.184 14.611 -11.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.585 13.769 -11.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.722 13.292 -12.920 1.00 0.00 H new ATOM 419 N PHE A 31 12.122 7.556 -9.458 1.00 0.00 N ATOM 420 CA PHE A 31 11.504 7.228 -8.184 1.00 0.00 C ATOM 421 C PHE A 31 10.520 6.066 -8.335 1.00 0.00 C ATOM 422 O PHE A 31 10.204 5.657 -9.451 1.00 0.00 O ATOM 423 CB PHE A 31 10.741 8.472 -7.724 1.00 0.00 C ATOM 424 CG PHE A 31 11.600 9.735 -7.644 1.00 0.00 C ATOM 425 CD1 PHE A 31 12.614 9.812 -6.740 1.00 0.00 C ATOM 426 CD2 PHE A 31 11.350 10.781 -8.476 1.00 0.00 C ATOM 427 CE1 PHE A 31 13.411 10.984 -6.666 1.00 0.00 C ATOM 428 CE2 PHE A 31 12.147 11.954 -8.401 1.00 0.00 C ATOM 429 CZ PHE A 31 13.161 12.030 -7.498 1.00 0.00 C ATOM 0 H PHE A 31 11.523 7.415 -10.271 1.00 0.00 H new ATOM 0 HA PHE A 31 12.267 6.930 -7.465 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.912 8.651 -8.409 1.00 0.00 H new ATOM 0 HB3 PHE A 31 10.307 8.277 -6.743 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.812 8.981 -6.079 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.545 10.720 -9.194 1.00 0.00 H new ATOM 0 HE1 PHE A 31 14.216 11.045 -5.949 1.00 0.00 H new ATOM 0 HE2 PHE A 31 11.948 12.785 -9.061 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.768 12.922 -7.442 1.00 0.00 H new ATOM 439 N VAL A 32 10.063 5.569 -7.195 1.00 0.00 N ATOM 440 CA VAL A 32 9.121 4.462 -7.186 1.00 0.00 C ATOM 441 C VAL A 32 7.822 4.909 -6.511 1.00 0.00 C ATOM 442 O VAL A 32 7.854 5.585 -5.484 1.00 0.00 O ATOM 443 CB VAL A 32 9.754 3.241 -6.516 1.00 0.00 C ATOM 444 CG1 VAL A 32 8.703 2.166 -6.231 1.00 0.00 C ATOM 445 CG2 VAL A 32 10.896 2.680 -7.366 1.00 0.00 C ATOM 0 H VAL A 32 10.327 5.912 -6.271 1.00 0.00 H new ATOM 0 HA VAL A 32 8.872 4.164 -8.204 1.00 0.00 H new ATOM 0 HB VAL A 32 10.173 3.561 -5.562 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.179 1.309 -5.755 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.939 2.571 -5.568 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.242 1.851 -7.167 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.329 1.813 -6.867 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.511 2.383 -8.342 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.663 3.444 -7.495 1.00 0.00 H new ATOM 455 N LYS A 33 6.712 4.513 -7.115 1.00 0.00 N ATOM 456 CA LYS A 33 5.405 4.864 -6.585 1.00 0.00 C ATOM 457 C LYS A 33 4.423 3.724 -6.864 1.00 0.00 C ATOM 458 O LYS A 33 4.522 3.052 -7.889 1.00 0.00 O ATOM 459 CB LYS A 33 4.950 6.217 -7.135 1.00 0.00 C ATOM 460 CG LYS A 33 3.455 6.434 -6.888 1.00 0.00 C ATOM 461 CD LYS A 33 3.100 7.921 -6.945 1.00 0.00 C ATOM 462 CE LYS A 33 3.886 8.630 -8.050 1.00 0.00 C ATOM 463 NZ LYS A 33 3.104 9.761 -8.598 1.00 0.00 N ATOM 0 H LYS A 33 6.690 3.952 -7.967 1.00 0.00 H new ATOM 0 HA LYS A 33 5.453 4.986 -5.503 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.520 7.016 -6.662 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.157 6.267 -8.204 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.877 5.890 -7.634 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.181 6.028 -5.914 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.031 8.037 -7.123 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.316 8.387 -5.984 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.834 8.994 -7.654 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.123 7.924 -8.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.652 10.231 -9.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.210 9.406 -8.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.900 10.442 -7.839 1.00 0.00 H new ATOM 477 N ILE A 34 3.498 3.542 -5.933 1.00 0.00 N ATOM 478 CA ILE A 34 2.499 2.495 -6.066 1.00 0.00 C ATOM 479 C ILE A 34 1.104 3.123 -6.052 1.00 0.00 C ATOM 480 O ILE A 34 0.891 4.157 -5.419 1.00 0.00 O ATOM 481 CB ILE A 34 2.701 1.422 -4.995 1.00 0.00 C ATOM 482 CG1 ILE A 34 4.046 0.714 -5.175 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.532 0.436 -4.979 1.00 0.00 C ATOM 484 CD1 ILE A 34 5.092 1.268 -4.206 1.00 0.00 C ATOM 0 H ILE A 34 3.419 4.102 -5.084 1.00 0.00 H new ATOM 0 HA ILE A 34 2.609 1.983 -7.022 1.00 0.00 H new ATOM 0 HB ILE A 34 2.722 1.911 -4.021 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.923 -0.356 -5.009 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.393 0.840 -6.201 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.701 -0.316 -4.209 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.607 0.972 -4.766 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.454 -0.051 -5.951 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.038 0.747 -4.355 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.231 2.333 -4.391 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.753 1.119 -3.181 1.00 0.00 H new ATOM 496 N TYR A 35 0.189 2.473 -6.756 1.00 0.00 N ATOM 497 CA TYR A 35 -1.179 2.954 -6.832 1.00 0.00 C ATOM 498 C TYR A 35 -2.174 1.824 -6.560 1.00 0.00 C ATOM 499 O TYR A 35 -2.407 0.976 -7.421 1.00 0.00 O ATOM 500 CB TYR A 35 -1.372 3.453 -8.265 1.00 0.00 C ATOM 501 CG TYR A 35 -0.176 4.230 -8.820 1.00 0.00 C ATOM 502 CD1 TYR A 35 1.018 3.580 -9.059 1.00 0.00 C ATOM 503 CD2 TYR A 35 -0.291 5.580 -9.080 1.00 0.00 C ATOM 504 CE1 TYR A 35 2.143 4.312 -9.581 1.00 0.00 C ATOM 505 CE2 TYR A 35 0.834 6.311 -9.602 1.00 0.00 C ATOM 506 CZ TYR A 35 1.996 5.641 -9.827 1.00 0.00 C ATOM 507 OH TYR A 35 3.059 6.331 -10.319 1.00 0.00 O ATOM 0 H TYR A 35 0.369 1.616 -7.279 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.353 3.734 -6.091 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.569 2.599 -8.913 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.255 4.091 -8.301 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.108 2.523 -8.855 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.225 6.088 -8.892 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.083 3.816 -9.773 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.757 7.368 -9.810 1.00 0.00 H new ATOM 0 HH TYR A 35 2.809 7.270 -10.447 1.00 0.00 H new ATOM 517 N ILE A 36 -2.735 1.848 -5.360 1.00 0.00 N ATOM 518 CA ILE A 36 -3.699 0.836 -4.964 1.00 0.00 C ATOM 519 C ILE A 36 -5.111 1.416 -5.066 1.00 0.00 C ATOM 520 O ILE A 36 -5.307 2.617 -4.888 1.00 0.00 O ATOM 521 CB ILE A 36 -3.359 0.285 -3.578 1.00 0.00 C ATOM 522 CG1 ILE A 36 -1.999 -0.416 -3.585 1.00 0.00 C ATOM 523 CG2 ILE A 36 -4.472 -0.630 -3.063 1.00 0.00 C ATOM 524 CD1 ILE A 36 -0.956 0.402 -2.820 1.00 0.00 C ATOM 0 H ILE A 36 -2.540 2.553 -4.649 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.655 -0.018 -5.640 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.286 1.124 -2.886 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.093 -1.404 -3.135 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.668 -0.564 -4.613 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.205 -1.008 -2.076 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.403 -0.068 -2.996 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.602 -1.467 -3.749 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.001 -0.119 -2.840 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.847 1.381 -3.287 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.279 0.528 -1.786 1.00 0.00 H new ATOM 536 N THR A 37 -6.059 0.535 -5.351 1.00 0.00 N ATOM 537 CA THR A 37 -7.447 0.944 -5.478 1.00 0.00 C ATOM 538 C THR A 37 -8.189 0.733 -4.157 1.00 0.00 C ATOM 539 O THR A 37 -8.515 -0.398 -3.798 1.00 0.00 O ATOM 540 CB THR A 37 -8.062 0.176 -6.650 1.00 0.00 C ATOM 541 OG1 THR A 37 -7.623 0.890 -7.802 1.00 0.00 O ATOM 542 CG2 THR A 37 -9.586 0.296 -6.694 1.00 0.00 C ATOM 0 H THR A 37 -5.893 -0.461 -5.498 1.00 0.00 H new ATOM 0 HA THR A 37 -7.526 2.010 -5.692 1.00 0.00 H new ATOM 0 HB THR A 37 -7.783 -0.876 -6.580 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.975 0.458 -8.608 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.971 -0.267 -7.544 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.009 -0.104 -5.772 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.866 1.345 -6.797 1.00 0.00 H new ATOM 550 N LEU A 38 -8.434 1.838 -3.470 1.00 0.00 N ATOM 551 CA LEU A 38 -9.132 1.788 -2.196 1.00 0.00 C ATOM 552 C LEU A 38 -10.157 2.922 -2.136 1.00 0.00 C ATOM 553 O LEU A 38 -9.803 4.071 -1.877 1.00 0.00 O ATOM 554 CB LEU A 38 -8.132 1.801 -1.037 1.00 0.00 C ATOM 555 CG LEU A 38 -8.461 0.883 0.142 1.00 0.00 C ATOM 556 CD1 LEU A 38 -9.972 0.688 0.280 1.00 0.00 C ATOM 557 CD2 LEU A 38 -7.720 -0.450 0.023 1.00 0.00 C ATOM 0 H LEU A 38 -8.162 2.774 -3.771 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.684 0.853 -2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.152 1.524 -1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.050 2.822 -0.665 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.113 1.364 1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.178 0.032 1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.450 1.654 0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.366 0.240 -0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.972 -1.083 0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.014 -0.949 -0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.645 -0.269 0.011 1.00 0.00 H new ATOM 569 N THR A 39 -11.408 2.559 -2.378 1.00 0.00 N ATOM 570 CA THR A 39 -12.487 3.532 -2.355 1.00 0.00 C ATOM 571 C THR A 39 -12.817 3.928 -0.915 1.00 0.00 C ATOM 572 O THR A 39 -13.151 3.075 -0.093 1.00 0.00 O ATOM 573 CB THR A 39 -13.677 2.935 -3.109 1.00 0.00 C ATOM 574 OG1 THR A 39 -13.516 3.409 -4.443 1.00 0.00 O ATOM 575 CG2 THR A 39 -15.013 3.533 -2.661 1.00 0.00 C ATOM 0 H THR A 39 -11.699 1.605 -2.591 1.00 0.00 H new ATOM 0 HA THR A 39 -12.197 4.456 -2.855 1.00 0.00 H new ATOM 0 HB THR A 39 -13.694 1.855 -2.963 1.00 0.00 H new ATOM 0 HG1 THR A 39 -12.987 2.764 -4.958 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.824 3.075 -3.227 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.159 3.342 -1.598 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.008 4.608 -2.839 1.00 0.00 H new ATOM 583 N GLY A 40 -12.712 5.222 -0.652 1.00 0.00 N ATOM 584 CA GLY A 40 -12.996 5.742 0.675 1.00 0.00 C ATOM 585 C GLY A 40 -11.712 6.203 1.369 1.00 0.00 C ATOM 586 O GLY A 40 -11.756 7.035 2.274 1.00 0.00 O ATOM 0 H GLY A 40 -12.434 5.926 -1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.694 6.576 0.601 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.482 4.972 1.275 1.00 0.00 H new ATOM 590 N VAL A 41 -10.600 5.641 0.919 1.00 0.00 N ATOM 591 CA VAL A 41 -9.306 5.984 1.485 1.00 0.00 C ATOM 592 C VAL A 41 -9.096 7.497 1.387 1.00 0.00 C ATOM 593 O VAL A 41 -8.344 8.075 2.170 1.00 0.00 O ATOM 594 CB VAL A 41 -8.203 5.182 0.793 1.00 0.00 C ATOM 595 CG1 VAL A 41 -7.961 5.694 -0.628 1.00 0.00 C ATOM 596 CG2 VAL A 41 -6.911 5.207 1.612 1.00 0.00 C ATOM 0 H VAL A 41 -10.568 4.950 0.169 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.269 5.718 2.541 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.536 4.146 0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.172 5.106 -1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.878 5.600 -1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.660 6.741 -0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.143 4.629 1.098 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.574 6.237 1.728 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.095 4.773 2.595 1.00 0.00 H new ATOM 606 N HIS A 42 -9.775 8.095 0.418 1.00 0.00 N ATOM 607 CA HIS A 42 -9.672 9.529 0.208 1.00 0.00 C ATOM 608 C HIS A 42 -10.697 10.251 1.084 1.00 0.00 C ATOM 609 O HIS A 42 -10.848 11.468 0.995 1.00 0.00 O ATOM 610 CB HIS A 42 -9.814 9.871 -1.276 1.00 0.00 C ATOM 611 CG HIS A 42 -11.206 9.661 -1.824 1.00 0.00 C ATOM 612 ND1 HIS A 42 -11.741 8.405 -2.048 1.00 0.00 N ATOM 613 CD2 HIS A 42 -12.165 10.560 -2.190 1.00 0.00 C ATOM 614 CE1 HIS A 42 -12.968 8.553 -2.528 1.00 0.00 C ATOM 615 NE2 HIS A 42 -13.228 9.889 -2.615 1.00 0.00 N ATOM 0 H HIS A 42 -10.398 7.612 -0.230 1.00 0.00 H new ATOM 0 HA HIS A 42 -8.683 9.875 0.508 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -9.528 10.912 -1.427 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -9.114 9.262 -1.847 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.074 11.635 -2.142 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -13.643 7.756 -2.802 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -14.097 10.304 -2.951 1.00 0.00 H new ATOM 623 N GLN A 43 -11.376 9.469 1.912 1.00 0.00 N ATOM 624 CA GLN A 43 -12.383 10.019 2.803 1.00 0.00 C ATOM 625 C GLN A 43 -11.933 9.882 4.259 1.00 0.00 C ATOM 626 O GLN A 43 -12.291 10.703 5.103 1.00 0.00 O ATOM 627 CB GLN A 43 -13.738 9.344 2.582 1.00 0.00 C ATOM 628 CG GLN A 43 -14.338 9.749 1.234 1.00 0.00 C ATOM 629 CD GLN A 43 -15.858 9.899 1.334 1.00 0.00 C ATOM 630 OE1 GLN A 43 -16.414 10.970 1.158 1.00 0.00 O ATOM 631 NE2 GLN A 43 -16.495 8.768 1.624 1.00 0.00 N ATOM 0 H GLN A 43 -11.248 8.460 1.984 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.501 11.079 2.577 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.620 8.261 2.621 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.421 9.619 3.386 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -13.897 10.689 0.903 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.091 8.999 0.482 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -15.967 7.906 1.759 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.511 8.763 1.711 1.00 0.00 H new ATOM 640 N VAL A 44 -11.156 8.839 4.510 1.00 0.00 N ATOM 641 CA VAL A 44 -10.654 8.585 5.850 1.00 0.00 C ATOM 642 C VAL A 44 -9.566 9.607 6.185 1.00 0.00 C ATOM 643 O VAL A 44 -8.942 10.172 5.288 1.00 0.00 O ATOM 644 CB VAL A 44 -10.169 7.138 5.961 1.00 0.00 C ATOM 645 CG1 VAL A 44 -11.311 6.155 5.699 1.00 0.00 C ATOM 646 CG2 VAL A 44 -8.995 6.879 5.014 1.00 0.00 C ATOM 0 H VAL A 44 -10.862 8.160 3.808 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.450 8.705 6.585 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.818 6.980 6.981 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.939 5.134 5.784 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -12.103 6.315 6.430 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.706 6.315 4.696 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.670 5.843 5.113 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.308 7.065 3.987 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.170 7.544 5.267 1.00 0.00 H new ATOM 656 N PRO A 45 -9.368 9.821 7.514 1.00 0.00 N ATOM 657 CA PRO A 45 -8.367 10.766 7.979 1.00 0.00 C ATOM 658 C PRO A 45 -6.957 10.191 7.825 1.00 0.00 C ATOM 659 O PRO A 45 -6.794 9.006 7.535 1.00 0.00 O ATOM 660 CB PRO A 45 -8.737 11.052 9.425 1.00 0.00 C ATOM 661 CG PRO A 45 -9.647 9.912 9.855 1.00 0.00 C ATOM 662 CD PRO A 45 -10.089 9.171 8.604 1.00 0.00 C ATOM 0 HA PRO A 45 -8.355 11.687 7.396 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.848 11.100 10.054 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.244 12.012 9.516 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.121 9.238 10.532 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.511 10.297 10.396 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.844 8.111 8.664 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.168 9.241 8.463 1.00 0.00 H new ATOM 670 N THR A 46 -5.975 11.056 8.027 1.00 0.00 N ATOM 671 CA THR A 46 -4.584 10.649 7.914 1.00 0.00 C ATOM 672 C THR A 46 -4.153 9.873 9.160 1.00 0.00 C ATOM 673 O THR A 46 -3.027 9.384 9.233 1.00 0.00 O ATOM 674 CB THR A 46 -3.744 11.902 7.658 1.00 0.00 C ATOM 675 OG1 THR A 46 -2.423 11.402 7.472 1.00 0.00 O ATOM 676 CG2 THR A 46 -3.634 12.796 8.895 1.00 0.00 C ATOM 0 H THR A 46 -6.114 12.037 8.268 1.00 0.00 H new ATOM 0 HA THR A 46 -4.438 9.966 7.077 1.00 0.00 H new ATOM 0 HB THR A 46 -4.181 12.471 6.837 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.287 10.618 8.044 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.028 13.671 8.659 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.630 13.117 9.202 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.166 12.239 9.706 1.00 0.00 H new ATOM 684 N GLU A 47 -5.073 9.784 10.110 1.00 0.00 N ATOM 685 CA GLU A 47 -4.802 9.075 11.349 1.00 0.00 C ATOM 686 C GLU A 47 -5.170 7.597 11.207 1.00 0.00 C ATOM 687 O GLU A 47 -4.705 6.760 11.979 1.00 0.00 O ATOM 688 CB GLU A 47 -5.549 9.715 12.521 1.00 0.00 C ATOM 689 CG GLU A 47 -7.010 9.262 12.554 1.00 0.00 C ATOM 690 CD GLU A 47 -7.725 9.806 13.793 1.00 0.00 C ATOM 691 OE1 GLU A 47 -7.412 9.305 14.895 1.00 0.00 O ATOM 692 OE2 GLU A 47 -8.568 10.711 13.610 1.00 0.00 O ATOM 0 H GLU A 47 -6.006 10.191 10.046 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.735 9.145 11.558 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.060 9.447 13.458 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.503 10.801 12.437 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.521 9.605 11.655 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.057 8.173 12.551 1.00 0.00 H new ATOM 699 N ASN A 48 -6.003 7.320 10.214 1.00 0.00 N ATOM 700 CA ASN A 48 -6.439 5.958 9.960 1.00 0.00 C ATOM 701 C ASN A 48 -5.464 5.287 8.991 1.00 0.00 C ATOM 702 O ASN A 48 -5.436 4.062 8.881 1.00 0.00 O ATOM 703 CB ASN A 48 -7.830 5.934 9.324 1.00 0.00 C ATOM 704 CG ASN A 48 -8.908 6.298 10.347 1.00 0.00 C ATOM 705 OD1 ASN A 48 -8.629 6.661 11.478 1.00 0.00 O ATOM 706 ND2 ASN A 48 -10.151 6.180 9.889 1.00 0.00 N ATOM 0 H ASN A 48 -6.387 8.017 9.576 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.470 5.431 10.914 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.864 6.635 8.490 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.030 4.943 8.917 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.941 6.399 10.496 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.314 5.871 8.931 1.00 0.00 H new ATOM 713 N VAL A 49 -4.687 6.119 8.313 1.00 0.00 N ATOM 714 CA VAL A 49 -3.713 5.622 7.356 1.00 0.00 C ATOM 715 C VAL A 49 -2.316 5.689 7.976 1.00 0.00 C ATOM 716 O VAL A 49 -1.774 6.774 8.179 1.00 0.00 O ATOM 717 CB VAL A 49 -3.823 6.401 6.044 1.00 0.00 C ATOM 718 CG1 VAL A 49 -2.860 5.844 4.993 1.00 0.00 C ATOM 719 CG2 VAL A 49 -5.262 6.400 5.525 1.00 0.00 C ATOM 0 H VAL A 49 -4.712 7.134 8.407 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.912 4.578 7.115 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.540 7.435 6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.958 6.416 4.070 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.837 5.921 5.360 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.098 4.798 4.799 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.312 6.960 4.591 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.585 5.374 5.350 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.915 6.865 6.263 1.00 0.00 H new ATOM 729 N GLN A 50 -1.772 4.514 8.260 1.00 0.00 N ATOM 730 CA GLN A 50 -0.448 4.426 8.853 1.00 0.00 C ATOM 731 C GLN A 50 0.507 3.693 7.909 1.00 0.00 C ATOM 732 O GLN A 50 0.336 2.503 7.647 1.00 0.00 O ATOM 733 CB GLN A 50 -0.504 3.740 10.219 1.00 0.00 C ATOM 734 CG GLN A 50 -0.628 4.769 11.345 1.00 0.00 C ATOM 735 CD GLN A 50 -0.721 4.081 12.708 1.00 0.00 C ATOM 736 OE1 GLN A 50 0.240 3.990 13.453 1.00 0.00 O ATOM 737 NE2 GLN A 50 -1.930 3.605 12.992 1.00 0.00 N ATOM 0 H GLN A 50 -2.224 3.615 8.090 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.071 5.437 9.007 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.352 3.056 10.252 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.395 3.141 10.366 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.233 5.437 11.329 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.512 5.385 11.184 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.692 3.715 12.323 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.096 3.130 13.879 1.00 0.00 H new ATOM 746 N VAL A 51 1.494 4.433 7.425 1.00 0.00 N ATOM 747 CA VAL A 51 2.477 3.868 6.517 1.00 0.00 C ATOM 748 C VAL A 51 3.879 4.283 6.968 1.00 0.00 C ATOM 749 O VAL A 51 4.117 5.451 7.271 1.00 0.00 O ATOM 750 CB VAL A 51 2.163 4.287 5.079 1.00 0.00 C ATOM 751 CG1 VAL A 51 1.631 5.720 5.030 1.00 0.00 C ATOM 752 CG2 VAL A 51 3.391 4.126 4.181 1.00 0.00 C ATOM 0 H VAL A 51 1.634 5.419 7.645 1.00 0.00 H new ATOM 0 HA VAL A 51 2.437 2.779 6.540 1.00 0.00 H new ATOM 0 HB VAL A 51 1.383 3.627 4.700 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.416 5.993 3.997 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.718 5.790 5.622 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.380 6.400 5.437 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.141 4.430 3.165 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.202 4.750 4.558 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.707 3.083 4.180 1.00 0.00 H new ATOM 762 N HIS A 52 4.771 3.303 6.997 1.00 0.00 N ATOM 763 CA HIS A 52 6.143 3.552 7.406 1.00 0.00 C ATOM 764 C HIS A 52 7.098 3.098 6.301 1.00 0.00 C ATOM 765 O HIS A 52 6.974 1.987 5.786 1.00 0.00 O ATOM 766 CB HIS A 52 6.437 2.890 8.753 1.00 0.00 C ATOM 767 CG HIS A 52 7.904 2.852 9.112 1.00 0.00 C ATOM 768 ND1 HIS A 52 8.619 3.983 9.462 1.00 0.00 N ATOM 769 CD2 HIS A 52 8.780 1.808 9.171 1.00 0.00 C ATOM 770 CE1 HIS A 52 9.869 3.625 9.717 1.00 0.00 C ATOM 771 NE2 HIS A 52 9.966 2.276 9.537 1.00 0.00 N ATOM 0 H HIS A 52 4.570 2.336 6.744 1.00 0.00 H new ATOM 0 HA HIS A 52 6.294 4.621 7.552 1.00 0.00 H new ATOM 0 HB2 HIS A 52 5.896 3.424 9.534 1.00 0.00 H new ATOM 0 HB3 HIS A 52 6.051 1.871 8.737 1.00 0.00 H new ATOM 0 HD1 HIS A 52 8.247 4.931 9.515 1.00 0.00 H new ATOM 0 HD2 HIS A 52 8.547 0.775 8.956 1.00 0.00 H new ATOM 0 HE1 HIS A 52 10.670 4.285 10.015 1.00 0.00 H new ATOM 779 N PHE A 53 8.029 3.979 5.968 1.00 0.00 N ATOM 780 CA PHE A 53 9.005 3.683 4.933 1.00 0.00 C ATOM 781 C PHE A 53 10.350 3.284 5.545 1.00 0.00 C ATOM 782 O PHE A 53 10.710 3.757 6.622 1.00 0.00 O ATOM 783 CB PHE A 53 9.190 4.961 4.113 1.00 0.00 C ATOM 784 CG PHE A 53 7.932 5.411 3.369 1.00 0.00 C ATOM 785 CD1 PHE A 53 7.433 4.651 2.357 1.00 0.00 C ATOM 786 CD2 PHE A 53 7.312 6.570 3.718 1.00 0.00 C ATOM 787 CE1 PHE A 53 6.265 5.068 1.666 1.00 0.00 C ATOM 788 CE2 PHE A 53 6.144 6.987 3.026 1.00 0.00 C ATOM 789 CZ PHE A 53 5.645 6.227 2.015 1.00 0.00 C ATOM 0 H PHE A 53 8.128 4.899 6.397 1.00 0.00 H new ATOM 0 HA PHE A 53 8.655 2.853 4.319 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.513 5.763 4.777 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.990 4.804 3.390 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.925 3.731 2.079 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.708 7.173 4.521 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.869 4.465 0.863 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.652 7.908 3.303 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.756 6.544 1.489 1.00 0.00 H new ATOM 799 N THR A 54 11.055 2.419 4.832 1.00 0.00 N ATOM 800 CA THR A 54 12.351 1.951 5.292 1.00 0.00 C ATOM 801 C THR A 54 13.384 2.051 4.167 1.00 0.00 C ATOM 802 O THR A 54 13.154 2.730 3.167 1.00 0.00 O ATOM 803 CB THR A 54 12.177 0.530 5.832 1.00 0.00 C ATOM 804 OG1 THR A 54 11.603 -0.188 4.744 1.00 0.00 O ATOM 805 CG2 THR A 54 11.118 0.448 6.933 1.00 0.00 C ATOM 0 H THR A 54 10.753 2.030 3.939 1.00 0.00 H new ATOM 0 HA THR A 54 12.733 2.576 6.099 1.00 0.00 H new ATOM 0 HB THR A 54 13.131 0.170 6.218 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.468 0.419 3.986 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.034 -0.581 7.281 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.408 1.090 7.765 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.157 0.777 6.538 1.00 0.00 H new ATOM 813 N GLU A 55 14.499 1.365 4.368 1.00 0.00 N ATOM 814 CA GLU A 55 15.567 1.367 3.383 1.00 0.00 C ATOM 815 C GLU A 55 15.232 0.415 2.233 1.00 0.00 C ATOM 816 O GLU A 55 15.536 0.702 1.076 1.00 0.00 O ATOM 817 CB GLU A 55 16.906 1.001 4.025 1.00 0.00 C ATOM 818 CG GLU A 55 17.232 -0.478 3.809 1.00 0.00 C ATOM 819 CD GLU A 55 18.387 -0.923 4.708 1.00 0.00 C ATOM 820 OE1 GLU A 55 18.321 -0.607 5.916 1.00 0.00 O ATOM 821 OE2 GLU A 55 19.311 -1.568 4.168 1.00 0.00 O ATOM 0 H GLU A 55 14.686 0.804 5.199 1.00 0.00 H new ATOM 0 HA GLU A 55 15.659 2.375 2.979 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.698 1.617 3.599 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.873 1.217 5.093 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.350 -1.083 4.019 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.494 -0.647 2.765 1.00 0.00 H new ATOM 828 N ARG A 56 14.610 -0.698 2.592 1.00 0.00 N ATOM 829 CA ARG A 56 14.230 -1.695 1.605 1.00 0.00 C ATOM 830 C ARG A 56 12.890 -2.331 1.981 1.00 0.00 C ATOM 831 O ARG A 56 12.814 -3.537 2.211 1.00 0.00 O ATOM 832 CB ARG A 56 15.292 -2.790 1.490 1.00 0.00 C ATOM 833 CG ARG A 56 16.570 -2.248 0.847 1.00 0.00 C ATOM 834 CD ARG A 56 16.558 -2.470 -0.667 1.00 0.00 C ATOM 835 NE ARG A 56 17.076 -3.819 -0.986 1.00 0.00 N ATOM 836 CZ ARG A 56 18.370 -4.160 -0.926 1.00 0.00 C ATOM 837 NH1 ARG A 56 19.286 -3.253 -0.558 1.00 0.00 N ATOM 838 NH2 ARG A 56 18.749 -5.408 -1.233 1.00 0.00 N ATOM 0 H ARG A 56 14.359 -0.932 3.553 1.00 0.00 H new ATOM 0 HA ARG A 56 14.139 -1.191 0.643 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.519 -3.187 2.479 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.904 -3.617 0.896 1.00 0.00 H new ATOM 0 HG2 ARG A 56 16.666 -1.184 1.061 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.439 -2.741 1.284 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.544 -2.361 -1.051 1.00 0.00 H new ATOM 0 HD3 ARG A 56 17.168 -1.712 -1.159 1.00 0.00 H new ATOM 0 HE ARG A 56 16.406 -4.534 -1.269 1.00 0.00 H new ATOM 0 HH11 ARG A 56 18.998 -2.303 -0.324 1.00 0.00 H new ATOM 0 HH12 ARG A 56 20.271 -3.513 -0.512 1.00 0.00 H new ATOM 0 HH21 ARG A 56 18.052 -6.098 -1.512 1.00 0.00 H new ATOM 0 HH22 ARG A 56 19.734 -5.668 -1.187 1.00 0.00 H new ATOM 852 N SER A 57 11.866 -1.491 2.032 1.00 0.00 N ATOM 853 CA SER A 57 10.534 -1.956 2.376 1.00 0.00 C ATOM 854 C SER A 57 9.643 -0.767 2.741 1.00 0.00 C ATOM 855 O SER A 57 10.135 0.338 2.959 1.00 0.00 O ATOM 856 CB SER A 57 10.581 -2.959 3.531 1.00 0.00 C ATOM 857 OG SER A 57 11.516 -2.573 4.535 1.00 0.00 O ATOM 0 H SER A 57 11.933 -0.491 1.841 1.00 0.00 H new ATOM 0 HA SER A 57 10.114 -2.464 1.507 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.589 -3.048 3.974 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.848 -3.943 3.146 1.00 0.00 H new ATOM 0 HG SER A 57 11.730 -1.622 4.435 1.00 0.00 H new ATOM 863 N PHE A 58 8.346 -1.036 2.798 1.00 0.00 N ATOM 864 CA PHE A 58 7.382 -0.002 3.133 1.00 0.00 C ATOM 865 C PHE A 58 6.040 -0.614 3.540 1.00 0.00 C ATOM 866 O PHE A 58 5.483 -1.436 2.813 1.00 0.00 O ATOM 867 CB PHE A 58 7.182 0.848 1.877 1.00 0.00 C ATOM 868 CG PHE A 58 5.933 0.482 1.071 1.00 0.00 C ATOM 869 CD1 PHE A 58 4.698 0.723 1.585 1.00 0.00 C ATOM 870 CD2 PHE A 58 6.060 -0.085 -0.159 1.00 0.00 C ATOM 871 CE1 PHE A 58 3.539 0.384 0.837 1.00 0.00 C ATOM 872 CE2 PHE A 58 4.901 -0.424 -0.907 1.00 0.00 C ATOM 873 CZ PHE A 58 3.665 -0.183 -0.393 1.00 0.00 C ATOM 0 H PHE A 58 7.941 -1.955 2.618 1.00 0.00 H new ATOM 0 HA PHE A 58 7.749 0.591 3.971 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.121 1.897 2.166 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.058 0.744 1.237 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.598 1.172 2.562 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.041 -0.277 -0.567 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.558 0.576 1.245 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.001 -0.873 -1.884 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.784 -0.442 -0.961 1.00 0.00 H new ATOM 883 N ASP A 59 5.560 -0.191 4.700 1.00 0.00 N ATOM 884 CA ASP A 59 4.294 -0.688 5.212 1.00 0.00 C ATOM 885 C ASP A 59 3.227 0.398 5.061 1.00 0.00 C ATOM 886 O ASP A 59 3.518 1.584 5.205 1.00 0.00 O ATOM 887 CB ASP A 59 4.401 -1.043 6.696 1.00 0.00 C ATOM 888 CG ASP A 59 5.065 0.023 7.569 1.00 0.00 C ATOM 889 OD1 ASP A 59 6.308 0.129 7.489 1.00 0.00 O ATOM 890 OD2 ASP A 59 4.315 0.709 8.297 1.00 0.00 O ATOM 0 H ASP A 59 6.025 0.490 5.300 1.00 0.00 H new ATOM 0 HA ASP A 59 4.028 -1.581 4.646 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.400 -1.235 7.081 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.963 -1.972 6.792 1.00 0.00 H new ATOM 895 N LEU A 60 2.012 -0.047 4.772 1.00 0.00 N ATOM 896 CA LEU A 60 0.900 0.872 4.600 1.00 0.00 C ATOM 897 C LEU A 60 -0.369 0.243 5.179 1.00 0.00 C ATOM 898 O LEU A 60 -0.821 -0.799 4.707 1.00 0.00 O ATOM 899 CB LEU A 60 0.768 1.284 3.133 1.00 0.00 C ATOM 900 CG LEU A 60 -0.216 2.419 2.841 1.00 0.00 C ATOM 901 CD1 LEU A 60 -1.004 2.145 1.559 1.00 0.00 C ATOM 902 CD2 LEU A 60 -1.136 2.668 4.038 1.00 0.00 C ATOM 0 H LEU A 60 1.774 -1.032 4.653 1.00 0.00 H new ATOM 0 HA LEU A 60 1.079 1.795 5.151 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.752 1.580 2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.465 0.410 2.557 1.00 0.00 H new ATOM 0 HG LEU A 60 0.355 3.333 2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.696 2.967 1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.314 2.056 0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.564 1.216 1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.825 3.479 3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.702 1.762 4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.537 2.940 4.907 1.00 0.00 H new ATOM 914 N LEU A 61 -0.908 0.903 6.194 1.00 0.00 N ATOM 915 CA LEU A 61 -2.116 0.422 6.843 1.00 0.00 C ATOM 916 C LEU A 61 -3.260 1.401 6.570 1.00 0.00 C ATOM 917 O LEU A 61 -3.033 2.600 6.420 1.00 0.00 O ATOM 918 CB LEU A 61 -1.862 0.171 8.330 1.00 0.00 C ATOM 919 CG LEU A 61 -3.107 0.049 9.212 1.00 0.00 C ATOM 920 CD1 LEU A 61 -3.860 1.378 9.285 1.00 0.00 C ATOM 921 CD2 LEU A 61 -4.005 -1.094 8.735 1.00 0.00 C ATOM 0 H LEU A 61 -0.530 1.767 6.583 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.414 -0.541 6.428 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.280 -0.745 8.429 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.246 0.984 8.715 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.786 -0.194 10.225 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.740 1.263 9.918 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.208 2.143 9.706 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.170 1.676 8.283 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.883 -1.160 9.378 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.320 -0.905 7.709 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.453 -2.033 8.778 1.00 0.00 H new ATOM 933 N VAL A 62 -4.465 0.853 6.516 1.00 0.00 N ATOM 934 CA VAL A 62 -5.645 1.663 6.264 1.00 0.00 C ATOM 935 C VAL A 62 -6.807 1.140 7.112 1.00 0.00 C ATOM 936 O VAL A 62 -7.389 0.102 6.801 1.00 0.00 O ATOM 937 CB VAL A 62 -5.958 1.681 4.767 1.00 0.00 C ATOM 938 CG1 VAL A 62 -7.258 2.438 4.487 1.00 0.00 C ATOM 939 CG2 VAL A 62 -4.795 2.275 3.970 1.00 0.00 C ATOM 0 H VAL A 62 -4.650 -0.142 6.642 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.468 2.698 6.557 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.094 0.650 4.442 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.457 2.436 3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.082 1.952 5.010 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.163 3.466 4.836 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.044 2.276 2.909 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.612 3.297 4.301 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.899 1.676 4.132 1.00 0.00 H new ATOM 949 N LYS A 63 -7.110 1.884 8.166 1.00 0.00 N ATOM 950 CA LYS A 63 -8.191 1.509 9.060 1.00 0.00 C ATOM 951 C LYS A 63 -9.449 2.299 8.691 1.00 0.00 C ATOM 952 O LYS A 63 -9.359 3.396 8.143 1.00 0.00 O ATOM 953 CB LYS A 63 -7.764 1.680 10.519 1.00 0.00 C ATOM 954 CG LYS A 63 -7.567 0.322 11.196 1.00 0.00 C ATOM 955 CD LYS A 63 -6.233 0.269 11.943 1.00 0.00 C ATOM 956 CE LYS A 63 -5.629 -1.135 11.887 1.00 0.00 C ATOM 957 NZ LYS A 63 -5.290 -1.608 13.248 1.00 0.00 N ATOM 0 H LYS A 63 -6.625 2.745 8.420 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.432 0.452 8.944 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.837 2.251 10.566 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.519 2.253 11.058 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.385 0.137 11.892 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.600 -0.470 10.447 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.538 0.985 11.505 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.382 0.564 12.982 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.335 -1.823 11.422 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.734 -1.128 11.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.881 -2.563 13.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.600 -0.960 13.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.151 -1.634 13.831 1.00 0.00 H new ATOM 971 N ASN A 64 -10.593 1.709 9.007 1.00 0.00 N ATOM 972 CA ASN A 64 -11.867 2.343 8.716 1.00 0.00 C ATOM 973 C ASN A 64 -11.883 2.800 7.256 1.00 0.00 C ATOM 974 O ASN A 64 -11.307 3.834 6.919 1.00 0.00 O ATOM 975 CB ASN A 64 -12.085 3.574 9.599 1.00 0.00 C ATOM 976 CG ASN A 64 -13.576 3.834 9.819 1.00 0.00 C ATOM 977 OD1 ASN A 64 -14.180 4.697 9.203 1.00 0.00 O ATOM 978 ND2 ASN A 64 -14.134 3.042 10.730 1.00 0.00 N ATOM 0 H ASN A 64 -10.664 0.799 9.462 1.00 0.00 H new ATOM 0 HA ASN A 64 -12.656 1.617 8.909 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.592 3.428 10.560 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.625 4.446 9.134 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -15.126 3.137 10.950 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -13.570 2.340 11.209 1.00 0.00 H new ATOM 985 N LEU A 65 -12.548 2.007 6.428 1.00 0.00 N ATOM 986 CA LEU A 65 -12.646 2.318 5.012 1.00 0.00 C ATOM 987 C LEU A 65 -14.061 2.004 4.522 1.00 0.00 C ATOM 988 O LEU A 65 -15.041 2.411 5.145 1.00 0.00 O ATOM 989 CB LEU A 65 -11.549 1.593 4.228 1.00 0.00 C ATOM 990 CG LEU A 65 -11.247 2.144 2.833 1.00 0.00 C ATOM 991 CD1 LEU A 65 -11.988 3.461 2.591 1.00 0.00 C ATOM 992 CD2 LEU A 65 -9.740 2.286 2.613 1.00 0.00 C ATOM 0 H LEU A 65 -13.024 1.150 6.711 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.478 3.382 4.843 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.631 1.622 4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.832 0.545 4.130 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.613 1.428 2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.756 3.831 1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.062 3.295 2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.675 4.196 3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.554 2.680 1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.327 2.969 3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.264 1.311 2.713 1.00 0.00 H new ATOM 1004 N ASN A 66 -14.123 1.285 3.412 1.00 0.00 N ATOM 1005 CA ASN A 66 -15.402 0.912 2.832 1.00 0.00 C ATOM 1006 C ASN A 66 -16.078 -0.131 3.724 1.00 0.00 C ATOM 1007 O ASN A 66 -16.200 -1.294 3.342 1.00 0.00 O ATOM 1008 CB ASN A 66 -15.219 0.299 1.442 1.00 0.00 C ATOM 1009 CG ASN A 66 -16.355 0.714 0.505 1.00 0.00 C ATOM 1010 OD1 ASN A 66 -17.272 -0.041 0.226 1.00 0.00 O ATOM 1011 ND2 ASN A 66 -16.243 1.954 0.036 1.00 0.00 N ATOM 0 H ASN A 66 -13.308 0.950 2.898 1.00 0.00 H new ATOM 0 HA ASN A 66 -16.011 1.813 2.751 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -14.264 0.616 1.024 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.187 -0.788 1.521 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -16.951 2.325 -0.598 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -15.449 2.533 0.310 1.00 0.00 H new ATOM 1018 N GLY A 67 -16.498 0.322 4.896 1.00 0.00 N ATOM 1019 CA GLY A 67 -17.158 -0.557 5.845 1.00 0.00 C ATOM 1020 C GLY A 67 -16.207 -1.654 6.329 1.00 0.00 C ATOM 1021 O GLY A 67 -16.648 -2.677 6.851 1.00 0.00 O ATOM 0 H GLY A 67 -16.394 1.287 5.210 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -17.514 0.023 6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -18.034 -1.009 5.379 1.00 0.00 H new ATOM 1025 N LYS A 68 -14.920 -1.403 6.139 1.00 0.00 N ATOM 1026 CA LYS A 68 -13.904 -2.356 6.549 1.00 0.00 C ATOM 1027 C LYS A 68 -12.535 -1.672 6.539 1.00 0.00 C ATOM 1028 O LYS A 68 -12.446 -0.459 6.359 1.00 0.00 O ATOM 1029 CB LYS A 68 -13.968 -3.615 5.682 1.00 0.00 C ATOM 1030 CG LYS A 68 -14.499 -3.292 4.284 1.00 0.00 C ATOM 1031 CD LYS A 68 -13.769 -4.111 3.217 1.00 0.00 C ATOM 1032 CE LYS A 68 -13.843 -5.606 3.529 1.00 0.00 C ATOM 1033 NZ LYS A 68 -13.588 -6.404 2.309 1.00 0.00 N ATOM 0 H LYS A 68 -14.558 -0.553 5.706 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.087 -2.691 7.570 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.975 -4.058 5.604 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.611 -4.356 6.157 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.568 -3.501 4.240 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.374 -2.229 4.080 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.211 -3.917 2.239 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.726 -3.798 3.163 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.111 -5.860 4.296 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.826 -5.851 3.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.307 -7.369 2.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.453 -6.443 1.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.824 -5.962 1.758 1.00 0.00 H new ATOM 1047 N SER A 69 -11.504 -2.480 6.735 1.00 0.00 N ATOM 1048 CA SER A 69 -10.144 -1.967 6.751 1.00 0.00 C ATOM 1049 C SER A 69 -9.284 -2.733 5.743 1.00 0.00 C ATOM 1050 O SER A 69 -9.604 -3.866 5.384 1.00 0.00 O ATOM 1051 CB SER A 69 -9.535 -2.064 8.151 1.00 0.00 C ATOM 1052 OG SER A 69 -10.367 -1.461 9.138 1.00 0.00 O ATOM 0 H SER A 69 -11.582 -3.486 6.884 1.00 0.00 H new ATOM 0 HA SER A 69 -10.172 -0.914 6.469 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.373 -3.112 8.404 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.558 -1.580 8.156 1.00 0.00 H new ATOM 0 HG SER A 69 -9.944 -1.545 10.018 1.00 0.00 H new ATOM 1058 N TYR A 70 -8.210 -2.085 5.317 1.00 0.00 N ATOM 1059 CA TYR A 70 -7.302 -2.692 4.358 1.00 0.00 C ATOM 1060 C TYR A 70 -5.845 -2.467 4.765 1.00 0.00 C ATOM 1061 O TYR A 70 -5.441 -1.338 5.044 1.00 0.00 O ATOM 1062 CB TYR A 70 -7.562 -1.985 3.026 1.00 0.00 C ATOM 1063 CG TYR A 70 -8.968 -2.210 2.466 1.00 0.00 C ATOM 1064 CD1 TYR A 70 -10.052 -1.591 3.055 1.00 0.00 C ATOM 1065 CD2 TYR A 70 -9.152 -3.031 1.373 1.00 0.00 C ATOM 1066 CE1 TYR A 70 -11.376 -1.803 2.529 1.00 0.00 C ATOM 1067 CE2 TYR A 70 -10.476 -3.243 0.846 1.00 0.00 C ATOM 1068 CZ TYR A 70 -11.522 -2.618 1.450 1.00 0.00 C ATOM 1069 OH TYR A 70 -12.772 -2.818 0.953 1.00 0.00 O ATOM 0 H TYR A 70 -7.948 -1.146 5.618 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.468 -3.768 4.300 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -7.401 -0.915 3.157 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.831 -2.330 2.295 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.907 -0.948 3.910 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -8.304 -3.515 0.912 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -12.233 -1.326 2.981 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.634 -3.884 -0.009 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.725 -3.421 0.182 1.00 0.00 H new ATOM 1079 N SER A 71 -5.094 -3.558 4.787 1.00 0.00 N ATOM 1080 CA SER A 71 -3.690 -3.494 5.156 1.00 0.00 C ATOM 1081 C SER A 71 -2.816 -3.853 3.952 1.00 0.00 C ATOM 1082 O SER A 71 -3.175 -4.719 3.156 1.00 0.00 O ATOM 1083 CB SER A 71 -3.386 -4.427 6.330 1.00 0.00 C ATOM 1084 OG SER A 71 -3.685 -5.786 6.023 1.00 0.00 O ATOM 0 H SER A 71 -5.432 -4.492 4.555 1.00 0.00 H new ATOM 0 HA SER A 71 -3.465 -2.475 5.470 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.334 -4.339 6.600 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.965 -4.116 7.200 1.00 0.00 H new ATOM 0 HG SER A 71 -4.421 -5.821 5.376 1.00 0.00 H new ATOM 1090 N MET A 72 -1.686 -3.168 3.858 1.00 0.00 N ATOM 1091 CA MET A 72 -0.758 -3.404 2.765 1.00 0.00 C ATOM 1092 C MET A 72 0.678 -3.084 3.186 1.00 0.00 C ATOM 1093 O MET A 72 0.987 -1.946 3.535 1.00 0.00 O ATOM 1094 CB MET A 72 -1.146 -2.531 1.569 1.00 0.00 C ATOM 1095 CG MET A 72 0.014 -2.412 0.578 1.00 0.00 C ATOM 1096 SD MET A 72 -0.605 -1.968 -1.036 1.00 0.00 S ATOM 1097 CE MET A 72 -0.057 -3.381 -1.978 1.00 0.00 C ATOM 0 H MET A 72 -1.392 -2.450 4.520 1.00 0.00 H new ATOM 0 HA MET A 72 -0.810 -4.457 2.490 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.014 -2.959 1.068 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.435 -1.539 1.917 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.723 -1.660 0.924 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.554 -3.357 0.522 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.287 -3.053 -2.959 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.761 -3.873 -1.453 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.884 -4.081 -2.099 1.00 0.00 H new ATOM 1107 N ILE A 73 1.516 -4.109 3.139 1.00 0.00 N ATOM 1108 CA ILE A 73 2.912 -3.952 3.511 1.00 0.00 C ATOM 1109 C ILE A 73 3.793 -4.672 2.488 1.00 0.00 C ATOM 1110 O ILE A 73 3.400 -5.702 1.941 1.00 0.00 O ATOM 1111 CB ILE A 73 3.138 -4.415 4.951 1.00 0.00 C ATOM 1112 CG1 ILE A 73 2.390 -3.518 5.940 1.00 0.00 C ATOM 1113 CG2 ILE A 73 4.631 -4.501 5.272 1.00 0.00 C ATOM 1114 CD1 ILE A 73 2.862 -3.769 7.374 1.00 0.00 C ATOM 0 H ILE A 73 1.255 -5.051 2.849 1.00 0.00 H new ATOM 0 HA ILE A 73 3.195 -2.900 3.491 1.00 0.00 H new ATOM 0 HB ILE A 73 2.728 -5.420 5.054 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.549 -2.472 5.679 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.319 -3.706 5.868 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.763 -4.832 6.302 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.108 -5.213 4.598 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.088 -3.519 5.145 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.315 -3.119 8.056 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.680 -4.810 7.640 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.929 -3.557 7.448 1.00 0.00 H new ATOM 1126 N VAL A 74 4.967 -4.102 2.260 1.00 0.00 N ATOM 1127 CA VAL A 74 5.906 -4.677 1.312 1.00 0.00 C ATOM 1128 C VAL A 74 7.270 -4.837 1.986 1.00 0.00 C ATOM 1129 O VAL A 74 7.844 -3.864 2.473 1.00 0.00 O ATOM 1130 CB VAL A 74 5.962 -3.820 0.046 1.00 0.00 C ATOM 1131 CG1 VAL A 74 4.632 -3.101 -0.189 1.00 0.00 C ATOM 1132 CG2 VAL A 74 7.121 -2.823 0.109 1.00 0.00 C ATOM 0 H VAL A 74 5.289 -3.248 2.715 1.00 0.00 H new ATOM 0 HA VAL A 74 5.577 -5.669 1.003 1.00 0.00 H new ATOM 0 HB VAL A 74 6.138 -4.484 -0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.699 -2.499 -1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.835 -3.837 -0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.413 -2.455 0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.138 -2.227 -0.803 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.990 -2.167 0.969 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.062 -3.365 0.206 1.00 0.00 H new ATOM 1142 N ASN A 75 7.750 -6.072 1.993 1.00 0.00 N ATOM 1143 CA ASN A 75 9.036 -6.373 2.599 1.00 0.00 C ATOM 1144 C ASN A 75 9.983 -6.921 1.530 1.00 0.00 C ATOM 1145 O ASN A 75 9.638 -7.858 0.812 1.00 0.00 O ATOM 1146 CB ASN A 75 8.894 -7.432 3.694 1.00 0.00 C ATOM 1147 CG ASN A 75 8.502 -6.792 5.028 1.00 0.00 C ATOM 1148 OD1 ASN A 75 9.181 -5.926 5.554 1.00 0.00 O ATOM 1149 ND2 ASN A 75 7.371 -7.266 5.543 1.00 0.00 N ATOM 0 H ASN A 75 7.271 -6.876 1.588 1.00 0.00 H new ATOM 0 HA ASN A 75 9.427 -5.454 3.035 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.140 -8.163 3.402 1.00 0.00 H new ATOM 0 HB3 ASN A 75 9.834 -7.971 3.808 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.024 -6.904 6.431 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.851 -7.992 5.050 1.00 0.00 H new ATOM 1156 N ASN A 76 11.158 -6.314 1.459 1.00 0.00 N ATOM 1157 CA ASN A 76 12.158 -6.730 0.490 1.00 0.00 C ATOM 1158 C ASN A 76 11.854 -6.079 -0.861 1.00 0.00 C ATOM 1159 O ASN A 76 11.125 -6.644 -1.676 1.00 0.00 O ATOM 1160 CB ASN A 76 12.141 -8.248 0.298 1.00 0.00 C ATOM 1161 CG ASN A 76 11.861 -8.965 1.621 1.00 0.00 C ATOM 1162 OD1 ASN A 76 12.297 -8.553 2.684 1.00 0.00 O ATOM 1163 ND2 ASN A 76 11.113 -10.057 1.496 1.00 0.00 N ATOM 0 H ASN A 76 11.440 -5.537 2.057 1.00 0.00 H new ATOM 0 HA ASN A 76 13.136 -6.425 0.862 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.379 -8.517 -0.434 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.099 -8.578 -0.103 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.871 -10.606 2.321 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.781 -10.345 0.576 1.00 0.00 H new ATOM 1170 N LEU A 77 12.428 -4.901 -1.057 1.00 0.00 N ATOM 1171 CA LEU A 77 12.227 -4.168 -2.295 1.00 0.00 C ATOM 1172 C LEU A 77 13.430 -4.390 -3.215 1.00 0.00 C ATOM 1173 O LEU A 77 14.575 -4.321 -2.772 1.00 0.00 O ATOM 1174 CB LEU A 77 11.940 -2.694 -2.004 1.00 0.00 C ATOM 1175 CG LEU A 77 10.671 -2.404 -1.200 1.00 0.00 C ATOM 1176 CD1 LEU A 77 10.650 -0.953 -0.714 1.00 0.00 C ATOM 1177 CD2 LEU A 77 9.419 -2.757 -2.005 1.00 0.00 C ATOM 0 H LEU A 77 13.032 -4.436 -0.379 1.00 0.00 H new ATOM 0 HA LEU A 77 11.349 -4.542 -2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 77 12.791 -2.278 -1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.874 -2.163 -2.954 1.00 0.00 H new ATOM 0 HG LEU A 77 10.674 -3.040 -0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.738 -0.773 -0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.516 -0.770 -0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.681 -0.281 -1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.531 -2.541 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.396 -2.165 -2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.437 -3.817 -2.259 1.00 0.00 H new ATOM 1189 N LEU A 78 13.128 -4.652 -4.478 1.00 0.00 N ATOM 1190 CA LEU A 78 14.169 -4.885 -5.464 1.00 0.00 C ATOM 1191 C LEU A 78 15.346 -3.947 -5.187 1.00 0.00 C ATOM 1192 O LEU A 78 16.499 -4.376 -5.185 1.00 0.00 O ATOM 1193 CB LEU A 78 13.604 -4.762 -6.880 1.00 0.00 C ATOM 1194 CG LEU A 78 14.271 -5.632 -7.947 1.00 0.00 C ATOM 1195 CD1 LEU A 78 13.878 -7.101 -7.781 1.00 0.00 C ATOM 1196 CD2 LEU A 78 13.962 -5.111 -9.352 1.00 0.00 C ATOM 0 H LEU A 78 12.177 -4.708 -4.841 1.00 0.00 H new ATOM 0 HA LEU A 78 14.547 -5.904 -5.385 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.543 -5.010 -6.849 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.679 -3.720 -7.190 1.00 0.00 H new ATOM 0 HG LEU A 78 15.351 -5.570 -7.812 1.00 0.00 H new ATOM 0 HD11 LEU A 78 14.366 -7.697 -8.552 1.00 0.00 H new ATOM 0 HD12 LEU A 78 14.191 -7.453 -6.798 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.797 -7.201 -7.875 1.00 0.00 H new ATOM 0 HD21 LEU A 78 14.448 -5.748 -10.091 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.884 -5.123 -9.516 1.00 0.00 H new ATOM 0 HD23 LEU A 78 14.333 -4.091 -9.452 1.00 0.00 H new ATOM 1208 N LYS A 79 15.014 -2.685 -4.961 1.00 0.00 N ATOM 1209 CA LYS A 79 16.029 -1.683 -4.684 1.00 0.00 C ATOM 1210 C LYS A 79 15.644 -0.908 -3.422 1.00 0.00 C ATOM 1211 O LYS A 79 14.486 -0.927 -3.007 1.00 0.00 O ATOM 1212 CB LYS A 79 16.252 -0.792 -5.908 1.00 0.00 C ATOM 1213 CG LYS A 79 16.336 -1.629 -7.187 1.00 0.00 C ATOM 1214 CD LYS A 79 17.733 -2.229 -7.358 1.00 0.00 C ATOM 1215 CE LYS A 79 17.682 -3.506 -8.199 1.00 0.00 C ATOM 1216 NZ LYS A 79 18.968 -4.233 -8.116 1.00 0.00 N ATOM 0 H LYS A 79 14.057 -2.333 -4.964 1.00 0.00 H new ATOM 0 HA LYS A 79 16.989 -2.159 -4.486 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.437 -0.073 -5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.171 -0.219 -5.783 1.00 0.00 H new ATOM 0 HG2 LYS A 79 15.595 -2.428 -7.153 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.095 -1.007 -8.049 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.389 -1.501 -7.835 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.160 -2.450 -6.380 1.00 0.00 H new ATOM 0 HE2 LYS A 79 16.872 -4.146 -7.850 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.465 -3.256 -9.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.916 -5.097 -8.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 19.734 -3.625 -8.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.159 -4.488 -7.126 1.00 0.00 H new ATOM 1230 N PRO A 80 16.663 -0.226 -2.833 1.00 0.00 N ATOM 1231 CA PRO A 80 16.442 0.554 -1.627 1.00 0.00 C ATOM 1232 C PRO A 80 15.707 1.858 -1.944 1.00 0.00 C ATOM 1233 O PRO A 80 15.616 2.257 -3.104 1.00 0.00 O ATOM 1234 CB PRO A 80 17.828 0.779 -1.045 1.00 0.00 C ATOM 1235 CG PRO A 80 18.804 0.521 -2.181 1.00 0.00 C ATOM 1236 CD PRO A 80 18.046 -0.181 -3.296 1.00 0.00 C ATOM 0 HA PRO A 80 15.801 0.045 -0.908 1.00 0.00 H new ATOM 0 HB2 PRO A 80 17.932 1.795 -0.664 1.00 0.00 H new ATOM 0 HB3 PRO A 80 18.015 0.105 -0.209 1.00 0.00 H new ATOM 0 HG2 PRO A 80 19.229 1.459 -2.540 1.00 0.00 H new ATOM 0 HG3 PRO A 80 19.635 -0.095 -1.838 1.00 0.00 H new ATOM 0 HD2 PRO A 80 18.131 0.363 -4.236 1.00 0.00 H new ATOM 0 HD3 PRO A 80 18.438 -1.183 -3.471 1.00 0.00 H new ATOM 1244 N ILE A 81 15.202 2.486 -0.892 1.00 0.00 N ATOM 1245 CA ILE A 81 14.478 3.736 -1.044 1.00 0.00 C ATOM 1246 C ILE A 81 14.803 4.655 0.136 1.00 0.00 C ATOM 1247 O ILE A 81 14.923 4.195 1.270 1.00 0.00 O ATOM 1248 CB ILE A 81 12.982 3.471 -1.224 1.00 0.00 C ATOM 1249 CG1 ILE A 81 12.467 2.494 -0.165 1.00 0.00 C ATOM 1250 CG2 ILE A 81 12.677 2.991 -2.644 1.00 0.00 C ATOM 1251 CD1 ILE A 81 11.467 3.176 0.771 1.00 0.00 C ATOM 0 H ILE A 81 15.280 2.152 0.069 1.00 0.00 H new ATOM 0 HA ILE A 81 14.797 4.253 -1.949 1.00 0.00 H new ATOM 0 HB ILE A 81 12.449 4.411 -1.081 1.00 0.00 H new ATOM 0 HG12 ILE A 81 11.992 1.642 -0.652 1.00 0.00 H new ATOM 0 HG13 ILE A 81 13.305 2.105 0.414 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.607 2.810 -2.745 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.985 3.753 -3.360 1.00 0.00 H new ATOM 0 HG23 ILE A 81 13.221 2.067 -2.841 1.00 0.00 H new ATOM 0 HD11 ILE A 81 11.117 2.459 1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 81 11.952 4.013 1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.619 3.543 0.193 1.00 0.00 H new ATOM 1263 N SER A 82 14.934 5.937 -0.172 1.00 0.00 N ATOM 1264 CA SER A 82 15.243 6.924 0.848 1.00 0.00 C ATOM 1265 C SER A 82 13.989 7.239 1.667 1.00 0.00 C ATOM 1266 O SER A 82 13.034 7.816 1.149 1.00 0.00 O ATOM 1267 CB SER A 82 15.805 8.203 0.225 1.00 0.00 C ATOM 1268 OG SER A 82 17.196 8.361 0.494 1.00 0.00 O ATOM 0 H SER A 82 14.832 6.315 -1.114 1.00 0.00 H new ATOM 0 HA SER A 82 16.005 6.508 1.507 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.644 8.182 -0.853 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.261 9.064 0.612 1.00 0.00 H new ATOM 0 HG SER A 82 17.518 9.188 0.078 1.00 0.00 H new ATOM 1274 N VAL A 83 14.033 6.846 2.931 1.00 0.00 N ATOM 1275 CA VAL A 83 12.912 7.079 3.827 1.00 0.00 C ATOM 1276 C VAL A 83 12.629 8.581 3.902 1.00 0.00 C ATOM 1277 O VAL A 83 11.578 9.041 3.458 1.00 0.00 O ATOM 1278 CB VAL A 83 13.197 6.455 5.195 1.00 0.00 C ATOM 1279 CG1 VAL A 83 12.291 7.057 6.271 1.00 0.00 C ATOM 1280 CG2 VAL A 83 13.051 4.933 5.144 1.00 0.00 C ATOM 0 H VAL A 83 14.827 6.368 3.357 1.00 0.00 H new ATOM 0 HA VAL A 83 12.012 6.597 3.446 1.00 0.00 H new ATOM 0 HB VAL A 83 14.229 6.684 5.460 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.514 6.596 7.234 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.465 8.131 6.334 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.248 6.873 6.013 1.00 0.00 H new ATOM 0 HG21 VAL A 83 13.259 4.514 6.129 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.035 4.675 4.847 1.00 0.00 H new ATOM 0 HG23 VAL A 83 13.756 4.524 4.420 1.00 0.00 H new ATOM 1290 N GLU A 84 13.585 9.303 4.467 1.00 0.00 N ATOM 1291 CA GLU A 84 13.451 10.743 4.606 1.00 0.00 C ATOM 1292 C GLU A 84 12.809 11.340 3.352 1.00 0.00 C ATOM 1293 O GLU A 84 11.922 12.186 3.448 1.00 0.00 O ATOM 1294 CB GLU A 84 14.806 11.394 4.891 1.00 0.00 C ATOM 1295 CG GLU A 84 15.405 10.866 6.196 1.00 0.00 C ATOM 1296 CD GLU A 84 16.690 11.616 6.553 1.00 0.00 C ATOM 1297 OE1 GLU A 84 17.693 11.394 5.841 1.00 0.00 O ATOM 1298 OE2 GLU A 84 16.640 12.395 7.530 1.00 0.00 O ATOM 0 H GLU A 84 14.455 8.918 4.834 1.00 0.00 H new ATOM 0 HA GLU A 84 12.800 10.948 5.456 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.490 11.194 4.066 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.688 12.476 4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.680 10.975 7.003 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.616 9.801 6.099 1.00 0.00 H new ATOM 1305 N GLY A 85 13.282 10.876 2.205 1.00 0.00 N ATOM 1306 CA GLY A 85 12.765 11.353 0.934 1.00 0.00 C ATOM 1307 C GLY A 85 11.409 10.717 0.620 1.00 0.00 C ATOM 1308 O GLY A 85 10.551 11.348 0.005 1.00 0.00 O ATOM 0 H GLY A 85 14.018 10.174 2.129 1.00 0.00 H new ATOM 0 HA2 GLY A 85 12.664 12.438 0.963 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.473 11.120 0.139 1.00 0.00 H new ATOM 1312 N SER A 86 11.259 9.475 1.057 1.00 0.00 N ATOM 1313 CA SER A 86 10.022 8.747 0.831 1.00 0.00 C ATOM 1314 C SER A 86 8.830 9.579 1.306 1.00 0.00 C ATOM 1315 O SER A 86 8.977 10.444 2.168 1.00 0.00 O ATOM 1316 CB SER A 86 10.042 7.393 1.542 1.00 0.00 C ATOM 1317 OG SER A 86 11.041 6.525 1.012 1.00 0.00 O ATOM 0 H SER A 86 11.973 8.955 1.566 1.00 0.00 H new ATOM 0 HA SER A 86 9.924 8.563 -0.239 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.222 7.545 2.606 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.064 6.920 1.448 1.00 0.00 H new ATOM 0 HG SER A 86 11.810 7.055 0.714 1.00 0.00 H new ATOM 1323 N SER A 87 7.676 9.288 0.723 1.00 0.00 N ATOM 1324 CA SER A 87 6.459 9.999 1.077 1.00 0.00 C ATOM 1325 C SER A 87 5.235 9.175 0.672 1.00 0.00 C ATOM 1326 O SER A 87 5.332 8.288 -0.175 1.00 0.00 O ATOM 1327 CB SER A 87 6.414 11.377 0.415 1.00 0.00 C ATOM 1328 OG SER A 87 7.687 12.018 0.429 1.00 0.00 O ATOM 0 H SER A 87 7.558 8.570 0.008 1.00 0.00 H new ATOM 0 HA SER A 87 6.450 10.145 2.157 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.072 11.274 -0.615 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.687 12.004 0.931 1.00 0.00 H new ATOM 0 HG SER A 87 8.146 11.816 1.271 1.00 0.00 H new ATOM 1334 N LYS A 88 4.111 9.498 1.295 1.00 0.00 N ATOM 1335 CA LYS A 88 2.870 8.799 1.010 1.00 0.00 C ATOM 1336 C LYS A 88 1.826 9.803 0.516 1.00 0.00 C ATOM 1337 O LYS A 88 1.789 10.942 0.977 1.00 0.00 O ATOM 1338 CB LYS A 88 2.418 7.990 2.227 1.00 0.00 C ATOM 1339 CG LYS A 88 0.934 7.632 2.128 1.00 0.00 C ATOM 1340 CD LYS A 88 0.083 8.585 2.969 1.00 0.00 C ATOM 1341 CE LYS A 88 -1.082 7.843 3.629 1.00 0.00 C ATOM 1342 NZ LYS A 88 -2.249 8.740 3.779 1.00 0.00 N ATOM 0 H LYS A 88 4.034 10.235 1.996 1.00 0.00 H new ATOM 0 HA LYS A 88 3.017 8.072 0.211 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.011 7.079 2.303 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.597 8.564 3.136 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.614 7.676 1.087 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.780 6.607 2.466 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.702 9.051 3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.302 9.387 2.339 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.357 6.977 3.027 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.776 7.469 4.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -3.117 8.224 3.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.310 9.068 4.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.141 9.559 3.147 1.00 0.00 H new ATOM 1356 N LYS A 89 1.003 9.342 -0.415 1.00 0.00 N ATOM 1357 CA LYS A 89 -0.039 10.186 -0.975 1.00 0.00 C ATOM 1358 C LYS A 89 -1.325 9.370 -1.124 1.00 0.00 C ATOM 1359 O LYS A 89 -1.291 8.141 -1.092 1.00 0.00 O ATOM 1360 CB LYS A 89 0.436 10.828 -2.281 1.00 0.00 C ATOM 1361 CG LYS A 89 1.035 12.212 -2.025 1.00 0.00 C ATOM 1362 CD LYS A 89 0.479 13.241 -3.012 1.00 0.00 C ATOM 1363 CE LYS A 89 0.993 12.974 -4.428 1.00 0.00 C ATOM 1364 NZ LYS A 89 0.251 13.795 -5.411 1.00 0.00 N ATOM 0 H LYS A 89 1.037 8.396 -0.795 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.262 11.014 -0.302 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.180 10.188 -2.756 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.401 10.912 -2.974 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.814 12.525 -1.005 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.120 12.165 -2.116 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.610 13.207 -3.004 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.769 14.244 -2.699 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.057 13.202 -4.484 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.880 11.917 -4.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.612 13.602 -6.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.761 13.558 -5.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.380 14.803 -5.189 1.00 0.00 H new ATOM 1378 N VAL A 90 -2.427 10.087 -1.283 1.00 0.00 N ATOM 1379 CA VAL A 90 -3.722 9.445 -1.436 1.00 0.00 C ATOM 1380 C VAL A 90 -4.485 10.113 -2.582 1.00 0.00 C ATOM 1381 O VAL A 90 -4.562 11.338 -2.650 1.00 0.00 O ATOM 1382 CB VAL A 90 -4.484 9.481 -0.109 1.00 0.00 C ATOM 1383 CG1 VAL A 90 -5.949 9.087 -0.308 1.00 0.00 C ATOM 1384 CG2 VAL A 90 -3.812 8.585 0.933 1.00 0.00 C ATOM 0 H VAL A 90 -2.450 11.106 -1.309 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.599 8.394 -1.696 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.460 10.505 0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.468 9.121 0.650 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.422 9.782 -1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.002 8.077 -0.714 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.373 8.629 1.866 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.791 7.557 0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.793 8.930 1.106 1.00 0.00 H new ATOM 1394 N LYS A 91 -5.029 9.277 -3.454 1.00 0.00 N ATOM 1395 CA LYS A 91 -5.783 9.770 -4.593 1.00 0.00 C ATOM 1396 C LYS A 91 -7.233 9.294 -4.485 1.00 0.00 C ATOM 1397 O LYS A 91 -7.573 8.527 -3.585 1.00 0.00 O ATOM 1398 CB LYS A 91 -5.100 9.369 -5.902 1.00 0.00 C ATOM 1399 CG LYS A 91 -4.123 8.213 -5.679 1.00 0.00 C ATOM 1400 CD LYS A 91 -3.585 7.685 -7.010 1.00 0.00 C ATOM 1401 CE LYS A 91 -2.749 8.748 -7.724 1.00 0.00 C ATOM 1402 NZ LYS A 91 -3.255 8.970 -9.097 1.00 0.00 N ATOM 0 H LYS A 91 -4.962 8.261 -3.394 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.804 10.860 -4.592 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.853 9.078 -6.635 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.567 10.225 -6.316 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.294 8.548 -5.055 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.623 7.408 -5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.978 6.797 -6.834 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.416 7.382 -7.647 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.781 9.682 -7.163 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.706 8.434 -7.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.676 9.695 -9.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.202 8.081 -9.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.244 9.290 -9.055 1.00 0.00 H new ATOM 1416 N THR A 92 -8.049 9.767 -5.416 1.00 0.00 N ATOM 1417 CA THR A 92 -9.454 9.399 -5.436 1.00 0.00 C ATOM 1418 C THR A 92 -9.608 7.877 -5.394 1.00 0.00 C ATOM 1419 O THR A 92 -9.167 7.180 -6.306 1.00 0.00 O ATOM 1420 CB THR A 92 -10.093 10.040 -6.670 1.00 0.00 C ATOM 1421 OG1 THR A 92 -9.900 11.439 -6.473 1.00 0.00 O ATOM 1422 CG2 THR A 92 -11.614 9.875 -6.694 1.00 0.00 C ATOM 0 H THR A 92 -7.764 10.402 -6.162 1.00 0.00 H new ATOM 0 HA THR A 92 -9.973 9.771 -4.552 1.00 0.00 H new ATOM 0 HB THR A 92 -9.665 9.599 -7.571 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.283 11.932 -7.229 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.017 10.347 -7.590 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.865 8.814 -6.699 1.00 0.00 H new ATOM 0 HG23 THR A 92 -12.045 10.346 -5.810 1.00 0.00 H new ATOM 1430 N ASP A 93 -10.235 7.407 -4.326 1.00 0.00 N ATOM 1431 CA ASP A 93 -10.452 5.981 -4.153 1.00 0.00 C ATOM 1432 C ASP A 93 -9.164 5.228 -4.493 1.00 0.00 C ATOM 1433 O ASP A 93 -9.208 4.148 -5.080 1.00 0.00 O ATOM 1434 CB ASP A 93 -11.555 5.475 -5.085 1.00 0.00 C ATOM 1435 CG ASP A 93 -11.353 5.805 -6.565 1.00 0.00 C ATOM 1436 OD1 ASP A 93 -10.466 5.168 -7.173 1.00 0.00 O ATOM 1437 OD2 ASP A 93 -12.091 6.687 -7.056 1.00 0.00 O ATOM 0 H ASP A 93 -10.600 7.989 -3.572 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.746 5.808 -3.118 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.633 4.393 -4.977 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.506 5.897 -4.761 1.00 0.00 H new ATOM 1442 N THR A 94 -8.047 5.829 -4.110 1.00 0.00 N ATOM 1443 CA THR A 94 -6.748 5.229 -4.367 1.00 0.00 C ATOM 1444 C THR A 94 -5.706 5.775 -3.389 1.00 0.00 C ATOM 1445 O THR A 94 -5.755 6.946 -3.014 1.00 0.00 O ATOM 1446 CB THR A 94 -6.395 5.478 -5.834 1.00 0.00 C ATOM 1447 OG1 THR A 94 -7.357 4.715 -6.557 1.00 0.00 O ATOM 1448 CG2 THR A 94 -5.053 4.855 -6.227 1.00 0.00 C ATOM 0 H THR A 94 -8.014 6.725 -3.624 1.00 0.00 H new ATOM 0 HA THR A 94 -6.769 4.152 -4.202 1.00 0.00 H new ATOM 0 HB THR A 94 -6.367 6.551 -6.023 1.00 0.00 H new ATOM 0 HG1 THR A 94 -7.748 4.037 -5.967 1.00 0.00 H new ATOM 0 HG21 THR A 94 -4.850 5.061 -7.278 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.260 5.283 -5.614 1.00 0.00 H new ATOM 0 HG23 THR A 94 -5.092 3.777 -6.070 1.00 0.00 H new ATOM 1456 N VAL A 95 -4.787 4.902 -3.005 1.00 0.00 N ATOM 1457 CA VAL A 95 -3.734 5.282 -2.079 1.00 0.00 C ATOM 1458 C VAL A 95 -2.388 5.256 -2.805 1.00 0.00 C ATOM 1459 O VAL A 95 -2.008 4.237 -3.380 1.00 0.00 O ATOM 1460 CB VAL A 95 -3.767 4.373 -0.848 1.00 0.00 C ATOM 1461 CG1 VAL A 95 -3.640 2.902 -1.249 1.00 0.00 C ATOM 1462 CG2 VAL A 95 -2.677 4.765 0.152 1.00 0.00 C ATOM 0 H VAL A 95 -4.750 3.932 -3.318 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.890 6.299 -1.720 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.733 4.505 -0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.666 2.278 -0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.467 2.631 -1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.696 2.748 -1.772 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.722 4.104 1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.699 4.676 -0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.832 5.795 0.474 1.00 0.00 H new ATOM 1472 N LEU A 96 -1.703 6.389 -2.755 1.00 0.00 N ATOM 1473 CA LEU A 96 -0.407 6.510 -3.401 1.00 0.00 C ATOM 1474 C LEU A 96 0.696 6.250 -2.374 1.00 0.00 C ATOM 1475 O LEU A 96 0.563 6.619 -1.208 1.00 0.00 O ATOM 1476 CB LEU A 96 -0.284 7.861 -4.108 1.00 0.00 C ATOM 1477 CG LEU A 96 -0.418 7.836 -5.632 1.00 0.00 C ATOM 1478 CD1 LEU A 96 0.095 9.138 -6.249 1.00 0.00 C ATOM 1479 CD2 LEU A 96 0.279 6.608 -6.223 1.00 0.00 C ATOM 0 H LEU A 96 -2.021 7.232 -2.277 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.299 5.758 -4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.046 8.529 -3.707 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.684 8.294 -3.855 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.476 7.757 -5.881 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.012 9.094 -7.333 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.483 9.977 -5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.146 9.273 -5.993 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.169 6.614 -7.307 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.338 6.632 -5.966 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.173 5.703 -5.817 1.00 0.00 H new ATOM 1491 N ILE A 97 1.762 5.618 -2.844 1.00 0.00 N ATOM 1492 CA ILE A 97 2.888 5.305 -1.980 1.00 0.00 C ATOM 1493 C ILE A 97 4.189 5.698 -2.683 1.00 0.00 C ATOM 1494 O ILE A 97 4.769 4.898 -3.415 1.00 0.00 O ATOM 1495 CB ILE A 97 2.841 3.838 -1.548 1.00 0.00 C ATOM 1496 CG1 ILE A 97 1.500 3.503 -0.892 1.00 0.00 C ATOM 1497 CG2 ILE A 97 4.025 3.495 -0.642 1.00 0.00 C ATOM 1498 CD1 ILE A 97 1.382 4.162 0.483 1.00 0.00 C ATOM 0 H ILE A 97 1.870 5.314 -3.812 1.00 0.00 H new ATOM 0 HA ILE A 97 2.835 5.886 -1.059 1.00 0.00 H new ATOM 0 HB ILE A 97 2.928 3.216 -2.439 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.684 3.840 -1.532 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.401 2.422 -0.791 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.967 2.447 -0.349 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.957 3.671 -1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.995 4.122 0.249 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.420 3.908 0.927 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.185 3.805 1.128 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.457 5.244 0.376 1.00 0.00 H new ATOM 1510 N LEU A 98 4.609 6.930 -2.435 1.00 0.00 N ATOM 1511 CA LEU A 98 5.831 7.439 -3.035 1.00 0.00 C ATOM 1512 C LEU A 98 7.037 6.879 -2.278 1.00 0.00 C ATOM 1513 O LEU A 98 7.188 7.118 -1.081 1.00 0.00 O ATOM 1514 CB LEU A 98 5.800 8.967 -3.100 1.00 0.00 C ATOM 1515 CG LEU A 98 4.704 9.579 -3.974 1.00 0.00 C ATOM 1516 CD1 LEU A 98 4.192 10.890 -3.374 1.00 0.00 C ATOM 1517 CD2 LEU A 98 5.188 9.759 -5.414 1.00 0.00 C ATOM 0 H LEU A 98 4.125 7.591 -1.827 1.00 0.00 H new ATOM 0 HA LEU A 98 5.918 7.102 -4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.686 9.352 -2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.766 9.315 -3.466 1.00 0.00 H new ATOM 0 HG LEU A 98 3.862 8.887 -4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.414 11.304 -4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.782 10.701 -2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.015 11.601 -3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.390 10.196 -6.014 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.055 10.420 -5.427 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.465 8.790 -5.829 1.00 0.00 H new ATOM 1529 N CYS A 99 7.865 6.145 -3.007 1.00 0.00 N ATOM 1530 CA CYS A 99 9.053 5.550 -2.419 1.00 0.00 C ATOM 1531 C CYS A 99 10.278 6.101 -3.151 1.00 0.00 C ATOM 1532 O CYS A 99 10.560 5.706 -4.281 1.00 0.00 O ATOM 1533 CB CYS A 99 9.001 4.022 -2.463 1.00 0.00 C ATOM 1534 SG CYS A 99 8.154 3.381 -0.972 1.00 0.00 S ATOM 0 H CYS A 99 7.736 5.949 -4.000 1.00 0.00 H new ATOM 0 HA CYS A 99 9.112 5.815 -1.363 1.00 0.00 H new ATOM 0 HB2 CYS A 99 8.475 3.694 -3.359 1.00 0.00 H new ATOM 0 HB3 CYS A 99 10.011 3.617 -2.520 1.00 0.00 H new ATOM 0 HG CYS A 99 7.778 4.376 -0.225 1.00 0.00 H new ATOM 1540 N ARG A 100 10.974 7.005 -2.477 1.00 0.00 N ATOM 1541 CA ARG A 100 12.163 7.613 -3.049 1.00 0.00 C ATOM 1542 C ARG A 100 13.176 6.535 -3.438 1.00 0.00 C ATOM 1543 O ARG A 100 13.260 5.494 -2.789 1.00 0.00 O ATOM 1544 CB ARG A 100 12.814 8.584 -2.061 1.00 0.00 C ATOM 1545 CG ARG A 100 12.324 10.014 -2.294 1.00 0.00 C ATOM 1546 CD ARG A 100 12.419 10.393 -3.773 1.00 0.00 C ATOM 1547 NE ARG A 100 11.090 10.269 -4.413 1.00 0.00 N ATOM 1548 CZ ARG A 100 10.046 11.062 -4.136 1.00 0.00 C ATOM 1549 NH1 ARG A 100 10.169 12.040 -3.229 1.00 0.00 N ATOM 1550 NH2 ARG A 100 8.878 10.877 -4.767 1.00 0.00 N ATOM 0 H ARG A 100 10.737 7.331 -1.540 1.00 0.00 H new ATOM 0 HA ARG A 100 11.858 8.166 -3.937 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.584 8.279 -1.040 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.898 8.545 -2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.292 10.108 -1.957 1.00 0.00 H new ATOM 0 HG3 ARG A 100 12.918 10.707 -1.699 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.786 11.415 -3.872 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.137 9.746 -4.277 1.00 0.00 H new ATOM 0 HE ARG A 100 10.961 9.534 -5.108 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.058 12.181 -2.749 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.374 12.643 -3.019 1.00 0.00 H new ATOM 0 HH21 ARG A 100 8.784 10.133 -5.458 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.083 11.481 -4.556 1.00 0.00 H new ATOM 1564 N LYS A 101 13.921 6.822 -4.496 1.00 0.00 N ATOM 1565 CA LYS A 101 14.926 5.891 -4.979 1.00 0.00 C ATOM 1566 C LYS A 101 16.283 6.250 -4.371 1.00 0.00 C ATOM 1567 O LYS A 101 16.560 7.420 -4.111 1.00 0.00 O ATOM 1568 CB LYS A 101 14.927 5.850 -6.508 1.00 0.00 C ATOM 1569 CG LYS A 101 14.114 4.662 -7.027 1.00 0.00 C ATOM 1570 CD LYS A 101 14.403 4.405 -8.507 1.00 0.00 C ATOM 1571 CE LYS A 101 14.201 2.929 -8.856 1.00 0.00 C ATOM 1572 NZ LYS A 101 13.576 2.793 -10.191 1.00 0.00 N ATOM 0 H LYS A 101 13.848 7.687 -5.032 1.00 0.00 H new ATOM 0 HA LYS A 101 14.692 4.876 -4.657 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.511 6.778 -6.900 1.00 0.00 H new ATOM 0 HB3 LYS A 101 15.952 5.780 -6.873 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.353 3.771 -6.446 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.050 4.856 -6.889 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.747 5.021 -9.122 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.426 4.700 -8.738 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.160 2.411 -8.843 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.572 2.454 -8.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.571 2.548 -10.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.659 3.693 -10.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.058 2.042 -10.725 1.00 0.00 H new ATOM 1585 N LYS A 102 17.093 5.223 -4.163 1.00 0.00 N ATOM 1586 CA LYS A 102 18.415 5.416 -3.591 1.00 0.00 C ATOM 1587 C LYS A 102 19.414 5.705 -4.713 1.00 0.00 C ATOM 1588 O LYS A 102 20.437 6.350 -4.487 1.00 0.00 O ATOM 1589 CB LYS A 102 18.800 4.221 -2.716 1.00 0.00 C ATOM 1590 CG LYS A 102 20.002 4.555 -1.830 1.00 0.00 C ATOM 1591 CD LYS A 102 20.128 3.556 -0.678 1.00 0.00 C ATOM 1592 CE LYS A 102 21.591 3.371 -0.272 1.00 0.00 C ATOM 1593 NZ LYS A 102 22.057 4.526 0.528 1.00 0.00 N ATOM 0 H LYS A 102 16.860 4.254 -4.380 1.00 0.00 H new ATOM 0 HA LYS A 102 18.421 6.281 -2.928 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.953 3.934 -2.093 1.00 0.00 H new ATOM 0 HB3 LYS A 102 19.036 3.364 -3.347 1.00 0.00 H new ATOM 0 HG2 LYS A 102 20.913 4.543 -2.428 1.00 0.00 H new ATOM 0 HG3 LYS A 102 19.895 5.564 -1.431 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.551 3.907 0.177 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.705 2.597 -0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 102 21.701 2.453 0.305 1.00 0.00 H new ATOM 0 HE3 LYS A 102 22.211 3.264 -1.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 23.052 4.384 0.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 21.970 5.396 -0.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 21.476 4.610 1.387 1.00 0.00 H new ATOM 1607 N VAL A 103 19.083 5.212 -5.898 1.00 0.00 N ATOM 1608 CA VAL A 103 19.939 5.409 -7.055 1.00 0.00 C ATOM 1609 C VAL A 103 19.085 5.387 -8.325 1.00 0.00 C ATOM 1610 O VAL A 103 18.480 4.368 -8.653 1.00 0.00 O ATOM 1611 CB VAL A 103 21.054 4.361 -7.066 1.00 0.00 C ATOM 1612 CG1 VAL A 103 20.821 3.302 -5.987 1.00 0.00 C ATOM 1613 CG2 VAL A 103 21.186 3.716 -8.448 1.00 0.00 C ATOM 0 H VAL A 103 18.234 4.677 -6.081 1.00 0.00 H new ATOM 0 HA VAL A 103 20.427 6.382 -7.008 1.00 0.00 H new ATOM 0 HB VAL A 103 21.993 4.867 -6.841 1.00 0.00 H new ATOM 0 HG11 VAL A 103 21.627 2.569 -6.016 1.00 0.00 H new ATOM 0 HG12 VAL A 103 20.800 3.779 -5.007 1.00 0.00 H new ATOM 0 HG13 VAL A 103 19.870 2.802 -6.168 1.00 0.00 H new ATOM 0 HG21 VAL A 103 21.985 2.975 -8.429 1.00 0.00 H new ATOM 0 HG22 VAL A 103 20.247 3.230 -8.714 1.00 0.00 H new ATOM 0 HG23 VAL A 103 21.420 4.483 -9.187 1.00 0.00 H new ATOM 1623 N GLU A 104 19.064 6.524 -9.005 1.00 0.00 N ATOM 1624 CA GLU A 104 18.295 6.649 -10.231 1.00 0.00 C ATOM 1625 C GLU A 104 18.893 5.763 -11.326 1.00 0.00 C ATOM 1626 O GLU A 104 19.989 5.228 -11.166 1.00 0.00 O ATOM 1627 CB GLU A 104 18.220 8.107 -10.686 1.00 0.00 C ATOM 1628 CG GLU A 104 17.666 9.001 -9.575 1.00 0.00 C ATOM 1629 CD GLU A 104 18.795 9.562 -8.708 1.00 0.00 C ATOM 1630 OE1 GLU A 104 19.785 10.039 -9.304 1.00 0.00 O ATOM 1631 OE2 GLU A 104 18.643 9.501 -7.469 1.00 0.00 O ATOM 0 H GLU A 104 19.568 7.367 -8.730 1.00 0.00 H new ATOM 0 HA GLU A 104 17.277 6.312 -10.033 1.00 0.00 H new ATOM 0 HB2 GLU A 104 19.212 8.453 -10.975 1.00 0.00 H new ATOM 0 HB3 GLU A 104 17.586 8.184 -11.569 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.097 9.821 -10.013 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.975 8.430 -8.954 1.00 0.00 H new ATOM 1638 N ASN A 105 18.147 5.634 -12.413 1.00 0.00 N ATOM 1639 CA ASN A 105 18.590 4.822 -13.533 1.00 0.00 C ATOM 1640 C ASN A 105 18.660 3.357 -13.099 1.00 0.00 C ATOM 1641 O ASN A 105 19.541 2.618 -13.535 1.00 0.00 O ATOM 1642 CB ASN A 105 19.984 5.244 -14.001 1.00 0.00 C ATOM 1643 CG ASN A 105 20.056 5.299 -15.529 1.00 0.00 C ATOM 1644 OD1 ASN A 105 20.419 4.344 -16.194 1.00 0.00 O ATOM 1645 ND2 ASN A 105 19.690 6.469 -16.045 1.00 0.00 N ATOM 0 H ASN A 105 17.238 6.079 -12.542 1.00 0.00 H new ATOM 0 HA ASN A 105 17.880 4.956 -14.349 1.00 0.00 H new ATOM 0 HB2 ASN A 105 20.230 6.221 -13.586 1.00 0.00 H new ATOM 0 HB3 ASN A 105 20.727 4.541 -13.623 1.00 0.00 H new ATOM 0 HD21 ASN A 105 19.703 6.607 -17.056 1.00 0.00 H new ATOM 0 HD22 ASN A 105 19.396 7.228 -15.430 1.00 0.00 H new ATOM 1652 N THR A 106 17.719 2.980 -12.245 1.00 0.00 N ATOM 1653 CA THR A 106 17.663 1.616 -11.747 1.00 0.00 C ATOM 1654 C THR A 106 16.257 1.041 -11.925 1.00 0.00 C ATOM 1655 O THR A 106 15.379 1.269 -11.094 1.00 0.00 O ATOM 1656 CB THR A 106 18.138 1.624 -10.293 1.00 0.00 C ATOM 1657 OG1 THR A 106 19.558 1.688 -10.391 1.00 0.00 O ATOM 1658 CG2 THR A 106 17.873 0.294 -9.583 1.00 0.00 C ATOM 0 H THR A 106 16.989 3.596 -11.885 1.00 0.00 H new ATOM 0 HA THR A 106 18.322 0.960 -12.315 1.00 0.00 H new ATOM 0 HB THR A 106 17.640 2.429 -9.753 1.00 0.00 H new ATOM 0 HG1 THR A 106 19.960 1.238 -9.619 1.00 0.00 H new ATOM 0 HG21 THR A 106 18.229 0.353 -8.554 1.00 0.00 H new ATOM 0 HG22 THR A 106 16.803 0.087 -9.585 1.00 0.00 H new ATOM 0 HG23 THR A 106 18.398 -0.507 -10.103 1.00 0.00 H new ATOM 1666 N ARG A 107 16.086 0.305 -13.013 1.00 0.00 N ATOM 1667 CA ARG A 107 14.801 -0.304 -13.311 1.00 0.00 C ATOM 1668 C ARG A 107 14.434 -1.323 -12.229 1.00 0.00 C ATOM 1669 O ARG A 107 15.312 -1.874 -11.567 1.00 0.00 O ATOM 1670 CB ARG A 107 14.824 -1.002 -14.672 1.00 0.00 C ATOM 1671 CG ARG A 107 13.501 -0.801 -15.414 1.00 0.00 C ATOM 1672 CD ARG A 107 13.258 -1.931 -16.416 1.00 0.00 C ATOM 1673 NE ARG A 107 13.781 -1.548 -17.747 1.00 0.00 N ATOM 1674 CZ ARG A 107 13.483 -2.190 -18.884 1.00 0.00 C ATOM 1675 NH1 ARG A 107 12.664 -3.251 -18.861 1.00 0.00 N ATOM 1676 NH2 ARG A 107 14.004 -1.773 -20.046 1.00 0.00 N ATOM 0 H ARG A 107 16.816 0.116 -13.699 1.00 0.00 H new ATOM 0 HA ARG A 107 14.055 0.490 -13.336 1.00 0.00 H new ATOM 0 HB2 ARG A 107 15.645 -0.609 -15.272 1.00 0.00 H new ATOM 0 HB3 ARG A 107 15.010 -2.067 -14.535 1.00 0.00 H new ATOM 0 HG2 ARG A 107 12.680 -0.762 -14.698 1.00 0.00 H new ATOM 0 HG3 ARG A 107 13.514 0.156 -15.936 1.00 0.00 H new ATOM 0 HD2 ARG A 107 13.746 -2.843 -16.073 1.00 0.00 H new ATOM 0 HD3 ARG A 107 12.191 -2.146 -16.483 1.00 0.00 H new ATOM 0 HE ARG A 107 14.407 -0.745 -17.802 1.00 0.00 H new ATOM 0 HH11 ARG A 107 12.267 -3.570 -17.977 1.00 0.00 H new ATOM 0 HH12 ARG A 107 12.438 -3.739 -19.727 1.00 0.00 H new ATOM 0 HH21 ARG A 107 14.628 -0.966 -20.065 1.00 0.00 H new ATOM 0 HH22 ARG A 107 13.777 -2.262 -20.912 1.00 0.00 H new ATOM 1690 N TRP A 108 13.135 -1.542 -12.084 1.00 0.00 N ATOM 1691 CA TRP A 108 12.642 -2.485 -11.095 1.00 0.00 C ATOM 1692 C TRP A 108 11.914 -3.609 -11.835 1.00 0.00 C ATOM 1693 O TRP A 108 10.760 -3.451 -12.231 1.00 0.00 O ATOM 1694 CB TRP A 108 11.760 -1.782 -10.060 1.00 0.00 C ATOM 1695 CG TRP A 108 12.545 -1.027 -8.985 1.00 0.00 C ATOM 1696 CD1 TRP A 108 13.734 -0.422 -9.104 1.00 0.00 C ATOM 1697 CD2 TRP A 108 12.143 -0.819 -7.615 1.00 0.00 C ATOM 1698 NE1 TRP A 108 14.128 0.158 -7.915 1.00 0.00 N ATOM 1699 CE2 TRP A 108 13.129 -0.091 -6.980 1.00 0.00 C ATOM 1700 CE3 TRP A 108 10.985 -1.233 -6.933 1.00 0.00 C ATOM 1701 CZ2 TRP A 108 13.057 0.286 -5.634 1.00 0.00 C ATOM 1702 CZ3 TRP A 108 10.928 -0.847 -5.588 1.00 0.00 C ATOM 1703 CH2 TRP A 108 11.912 -0.115 -4.935 1.00 0.00 C ATOM 0 H TRP A 108 12.410 -1.083 -12.635 1.00 0.00 H new ATOM 0 HA TRP A 108 13.467 -2.918 -10.530 1.00 0.00 H new ATOM 0 HB2 TRP A 108 11.102 -1.082 -10.574 1.00 0.00 H new ATOM 0 HB3 TRP A 108 11.123 -2.523 -9.577 1.00 0.00 H new ATOM 0 HD1 TRP A 108 14.312 -0.392 -10.016 1.00 0.00 H new ATOM 0 HE1 TRP A 108 14.993 0.674 -7.752 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.201 -1.804 -7.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 13.843 0.856 -5.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 10.058 -1.139 -5.018 1.00 0.00 H new ATOM 0 HH2 TRP A 108 11.794 0.143 -3.893 1.00 0.00 H new ATOM 1714 N ASP A 109 12.619 -4.719 -11.999 1.00 0.00 N ATOM 1715 CA ASP A 109 12.054 -5.869 -12.684 1.00 0.00 C ATOM 1716 C ASP A 109 10.815 -6.350 -11.928 1.00 0.00 C ATOM 1717 O ASP A 109 9.902 -6.921 -12.523 1.00 0.00 O ATOM 1718 CB ASP A 109 13.055 -7.025 -12.735 1.00 0.00 C ATOM 1719 CG ASP A 109 14.078 -6.945 -13.870 1.00 0.00 C ATOM 1720 OD1 ASP A 109 13.637 -6.715 -15.017 1.00 0.00 O ATOM 1721 OD2 ASP A 109 15.278 -7.117 -13.566 1.00 0.00 O ATOM 0 H ASP A 109 13.576 -4.846 -11.669 1.00 0.00 H new ATOM 0 HA ASP A 109 11.800 -5.566 -13.700 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.590 -7.065 -11.786 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.503 -7.960 -12.829 1.00 0.00 H new ATOM 1726 N TYR A 110 10.821 -6.102 -10.626 1.00 0.00 N ATOM 1727 CA TYR A 110 9.708 -6.503 -9.782 1.00 0.00 C ATOM 1728 C TYR A 110 9.423 -5.446 -8.713 1.00 0.00 C ATOM 1729 O TYR A 110 10.253 -4.574 -8.460 1.00 0.00 O ATOM 1730 CB TYR A 110 10.144 -7.799 -9.097 1.00 0.00 C ATOM 1731 CG TYR A 110 10.448 -8.944 -10.066 1.00 0.00 C ATOM 1732 CD1 TYR A 110 9.416 -9.582 -10.725 1.00 0.00 C ATOM 1733 CD2 TYR A 110 11.752 -9.338 -10.281 1.00 0.00 C ATOM 1734 CE1 TYR A 110 9.702 -10.659 -11.637 1.00 0.00 C ATOM 1735 CE2 TYR A 110 12.038 -10.415 -11.194 1.00 0.00 C ATOM 1736 CZ TYR A 110 10.999 -11.022 -11.827 1.00 0.00 C ATOM 1737 OH TYR A 110 11.268 -12.039 -12.688 1.00 0.00 O ATOM 0 H TYR A 110 11.579 -5.628 -10.135 1.00 0.00 H new ATOM 0 HA TYR A 110 8.802 -6.628 -10.375 1.00 0.00 H new ATOM 0 HB2 TYR A 110 11.032 -7.600 -8.497 1.00 0.00 H new ATOM 0 HB3 TYR A 110 9.359 -8.117 -8.410 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.395 -9.273 -10.557 1.00 0.00 H new ATOM 0 HD2 TYR A 110 12.559 -8.839 -9.765 1.00 0.00 H new ATOM 0 HE1 TYR A 110 8.904 -11.167 -12.159 1.00 0.00 H new ATOM 0 HE2 TYR A 110 13.055 -10.733 -11.372 1.00 0.00 H new ATOM 0 HH TYR A 110 12.236 -12.189 -12.725 1.00 0.00 H new ATOM 1747 N LEU A 111 8.246 -5.559 -8.115 1.00 0.00 N ATOM 1748 CA LEU A 111 7.840 -4.624 -7.079 1.00 0.00 C ATOM 1749 C LEU A 111 8.658 -4.886 -5.813 1.00 0.00 C ATOM 1750 O LEU A 111 8.934 -3.965 -5.046 1.00 0.00 O ATOM 1751 CB LEU A 111 6.328 -4.691 -6.859 1.00 0.00 C ATOM 1752 CG LEU A 111 5.717 -3.547 -6.047 1.00 0.00 C ATOM 1753 CD1 LEU A 111 5.482 -3.970 -4.595 1.00 0.00 C ATOM 1754 CD2 LEU A 111 6.576 -2.285 -6.145 1.00 0.00 C ATOM 0 H LEU A 111 7.561 -6.284 -8.328 1.00 0.00 H new ATOM 0 HA LEU A 111 8.048 -3.600 -7.388 1.00 0.00 H new ATOM 0 HB2 LEU A 111 5.840 -4.720 -7.833 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.095 -5.631 -6.358 1.00 0.00 H new ATOM 0 HG LEU A 111 4.743 -3.307 -6.474 1.00 0.00 H new ATOM 0 HD11 LEU A 111 5.047 -3.139 -4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 111 4.800 -4.820 -4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 111 6.431 -4.253 -4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.119 -1.488 -5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.574 -2.493 -5.759 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.648 -1.974 -7.187 1.00 0.00 H new ATOM 1766 N THR A 112 9.023 -6.147 -5.633 1.00 0.00 N ATOM 1767 CA THR A 112 9.804 -6.542 -4.473 1.00 0.00 C ATOM 1768 C THR A 112 10.937 -7.482 -4.888 1.00 0.00 C ATOM 1769 O THR A 112 10.801 -8.238 -5.849 1.00 0.00 O ATOM 1770 CB THR A 112 8.849 -7.157 -3.448 1.00 0.00 C ATOM 1771 OG1 THR A 112 8.066 -8.074 -4.208 1.00 0.00 O ATOM 1772 CG2 THR A 112 7.830 -6.147 -2.918 1.00 0.00 C ATOM 0 H THR A 112 8.792 -6.909 -6.271 1.00 0.00 H new ATOM 0 HA THR A 112 10.290 -5.682 -4.012 1.00 0.00 H new ATOM 0 HB THR A 112 9.423 -7.564 -2.616 1.00 0.00 H new ATOM 0 HG1 THR A 112 7.421 -8.519 -3.620 1.00 0.00 H new ATOM 0 HG21 THR A 112 7.177 -6.635 -2.194 1.00 0.00 H new ATOM 0 HG22 THR A 112 8.353 -5.321 -2.436 1.00 0.00 H new ATOM 0 HG23 THR A 112 7.233 -5.764 -3.746 1.00 0.00 H new ATOM 1780 N GLN A 113 12.030 -7.405 -4.144 1.00 0.00 N ATOM 1781 CA GLN A 113 13.187 -8.239 -4.422 1.00 0.00 C ATOM 1782 C GLN A 113 12.795 -9.718 -4.386 1.00 0.00 C ATOM 1783 O GLN A 113 13.280 -10.512 -5.191 1.00 0.00 O ATOM 1784 CB GLN A 113 14.322 -7.948 -3.439 1.00 0.00 C ATOM 1785 CG GLN A 113 15.302 -9.121 -3.370 1.00 0.00 C ATOM 1786 CD GLN A 113 16.505 -8.781 -2.488 1.00 0.00 C ATOM 1787 OE1 GLN A 113 16.377 -8.444 -1.322 1.00 0.00 O ATOM 1788 NE2 GLN A 113 17.677 -8.886 -3.108 1.00 0.00 N ATOM 0 H GLN A 113 12.139 -6.777 -3.348 1.00 0.00 H new ATOM 0 HA GLN A 113 13.549 -8.003 -5.423 1.00 0.00 H new ATOM 0 HB2 GLN A 113 14.851 -7.045 -3.745 1.00 0.00 H new ATOM 0 HB3 GLN A 113 13.910 -7.755 -2.449 1.00 0.00 H new ATOM 0 HG2 GLN A 113 14.794 -10.001 -2.975 1.00 0.00 H new ATOM 0 HG3 GLN A 113 15.643 -9.374 -4.374 1.00 0.00 H new ATOM 0 HE21 GLN A 113 17.713 -9.174 -4.086 1.00 0.00 H new ATOM 0 HE22 GLN A 113 18.540 -8.679 -2.605 1.00 0.00 H new ATOM 1797 N VAL A 114 11.922 -10.043 -3.444 1.00 0.00 N ATOM 1798 CA VAL A 114 11.460 -11.412 -3.293 1.00 0.00 C ATOM 1799 C VAL A 114 11.077 -11.972 -4.664 1.00 0.00 C ATOM 1800 O VAL A 114 11.647 -12.965 -5.114 1.00 0.00 O ATOM 1801 CB VAL A 114 10.312 -11.468 -2.283 1.00 0.00 C ATOM 1802 CG1 VAL A 114 9.223 -10.452 -2.633 1.00 0.00 C ATOM 1803 CG2 VAL A 114 9.733 -12.881 -2.189 1.00 0.00 C ATOM 0 H VAL A 114 11.523 -9.382 -2.778 1.00 0.00 H new ATOM 0 HA VAL A 114 12.256 -12.042 -2.896 1.00 0.00 H new ATOM 0 HB VAL A 114 10.714 -11.204 -1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 114 8.419 -10.513 -1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 114 9.646 -9.448 -2.625 1.00 0.00 H new ATOM 0 HG13 VAL A 114 8.827 -10.671 -3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 114 8.919 -12.893 -1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 114 9.355 -13.185 -3.165 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.512 -13.573 -1.871 1.00 0.00 H new ATOM 1813 N GLU A 115 10.116 -11.310 -5.291 1.00 0.00 N ATOM 1814 CA GLU A 115 9.650 -11.728 -6.602 1.00 0.00 C ATOM 1815 C GLU A 115 10.830 -12.188 -7.462 1.00 0.00 C ATOM 1816 O GLU A 115 10.700 -13.122 -8.252 1.00 0.00 O ATOM 1817 CB GLU A 115 8.873 -10.606 -7.292 1.00 0.00 C ATOM 1818 CG GLU A 115 7.732 -11.171 -8.140 1.00 0.00 C ATOM 1819 CD GLU A 115 6.630 -10.128 -8.341 1.00 0.00 C ATOM 1820 OE1 GLU A 115 6.825 -8.995 -7.851 1.00 0.00 O ATOM 1821 OE2 GLU A 115 5.617 -10.488 -8.979 1.00 0.00 O ATOM 0 H GLU A 115 9.647 -10.486 -4.915 1.00 0.00 H new ATOM 0 HA GLU A 115 8.969 -12.569 -6.473 1.00 0.00 H new ATOM 0 HB2 GLU A 115 8.471 -9.923 -6.543 1.00 0.00 H new ATOM 0 HB3 GLU A 115 9.547 -10.026 -7.923 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.117 -11.490 -9.109 1.00 0.00 H new ATOM 0 HG3 GLU A 115 7.317 -12.055 -7.656 1.00 0.00 H new ATOM 1828 N LYS A 116 11.954 -11.510 -7.279 1.00 0.00 N ATOM 1829 CA LYS A 116 13.155 -11.837 -8.028 1.00 0.00 C ATOM 1830 C LYS A 116 13.741 -13.147 -7.497 1.00 0.00 C ATOM 1831 O LYS A 116 13.973 -14.083 -8.261 1.00 0.00 O ATOM 1832 CB LYS A 116 14.139 -10.666 -7.999 1.00 0.00 C ATOM 1833 CG LYS A 116 15.239 -10.849 -9.048 1.00 0.00 C ATOM 1834 CD LYS A 116 15.679 -9.500 -9.620 1.00 0.00 C ATOM 1835 CE LYS A 116 17.205 -9.408 -9.695 1.00 0.00 C ATOM 1836 NZ LYS A 116 17.708 -8.377 -8.760 1.00 0.00 N ATOM 0 H LYS A 116 12.058 -10.736 -6.623 1.00 0.00 H new ATOM 0 HA LYS A 116 12.917 -11.997 -9.080 1.00 0.00 H new ATOM 0 HB2 LYS A 116 13.606 -9.733 -8.184 1.00 0.00 H new ATOM 0 HB3 LYS A 116 14.586 -10.586 -7.008 1.00 0.00 H new ATOM 0 HG2 LYS A 116 16.094 -11.354 -8.599 1.00 0.00 H new ATOM 0 HG3 LYS A 116 14.877 -11.489 -9.853 1.00 0.00 H new ATOM 0 HD2 LYS A 116 15.254 -9.366 -10.615 1.00 0.00 H new ATOM 0 HD3 LYS A 116 15.293 -8.693 -8.997 1.00 0.00 H new ATOM 0 HE2 LYS A 116 17.646 -10.375 -9.451 1.00 0.00 H new ATOM 0 HE3 LYS A 116 17.511 -9.165 -10.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 18.745 -8.327 -8.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 17.301 -7.453 -9.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 17.432 -8.625 -7.788 1.00 0.00 H new ATOM 1850 N GLU A 117 13.965 -13.171 -6.191 1.00 0.00 N ATOM 1851 CA GLU A 117 14.520 -14.351 -5.549 1.00 0.00 C ATOM 1852 C GLU A 117 13.548 -15.526 -5.667 1.00 0.00 C ATOM 1853 O GLU A 117 13.929 -16.675 -5.449 1.00 0.00 O ATOM 1854 CB GLU A 117 14.863 -14.068 -4.085 1.00 0.00 C ATOM 1855 CG GLU A 117 13.696 -14.439 -3.167 1.00 0.00 C ATOM 1856 CD GLU A 117 14.011 -14.091 -1.711 1.00 0.00 C ATOM 1857 OE1 GLU A 117 14.949 -14.714 -1.169 1.00 0.00 O ATOM 1858 OE2 GLU A 117 13.307 -13.209 -1.173 1.00 0.00 O ATOM 0 H GLU A 117 13.772 -12.393 -5.560 1.00 0.00 H new ATOM 0 HA GLU A 117 15.445 -14.618 -6.060 1.00 0.00 H new ATOM 0 HB2 GLU A 117 15.749 -14.634 -3.799 1.00 0.00 H new ATOM 0 HB3 GLU A 117 15.106 -13.013 -3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 117 12.797 -13.911 -3.484 1.00 0.00 H new ATOM 0 HG3 GLU A 117 13.486 -15.505 -3.253 1.00 0.00 H new ATOM 1865 N CYS A 118 12.312 -15.199 -6.013 1.00 0.00 N ATOM 1866 CA CYS A 118 11.283 -16.213 -6.163 1.00 0.00 C ATOM 1867 C CYS A 118 11.196 -16.593 -7.643 1.00 0.00 C ATOM 1868 O CYS A 118 11.249 -17.773 -7.989 1.00 0.00 O ATOM 1869 CB CYS A 118 9.936 -15.738 -5.616 1.00 0.00 C ATOM 1870 SG CYS A 118 9.198 -17.035 -4.557 1.00 0.00 S ATOM 0 H CYS A 118 12.000 -14.245 -6.194 1.00 0.00 H new ATOM 0 HA CYS A 118 11.548 -17.093 -5.577 1.00 0.00 H new ATOM 0 HB2 CYS A 118 10.070 -14.821 -5.042 1.00 0.00 H new ATOM 0 HB3 CYS A 118 9.262 -15.503 -6.440 1.00 0.00 H new ATOM 0 HG CYS A 118 8.055 -16.620 -4.096 1.00 0.00 H new ATOM 1876 N LYS A 119 11.062 -15.572 -8.476 1.00 0.00 N ATOM 1877 CA LYS A 119 10.967 -15.784 -9.911 1.00 0.00 C ATOM 1878 C LYS A 119 12.204 -16.544 -10.393 1.00 0.00 C ATOM 1879 O LYS A 119 12.098 -17.451 -11.218 1.00 0.00 O ATOM 1880 CB LYS A 119 10.740 -14.456 -10.635 1.00 0.00 C ATOM 1881 CG LYS A 119 9.330 -13.922 -10.373 1.00 0.00 C ATOM 1882 CD LYS A 119 8.315 -14.567 -11.319 1.00 0.00 C ATOM 1883 CE LYS A 119 7.528 -15.671 -10.609 1.00 0.00 C ATOM 1884 NZ LYS A 119 7.819 -16.988 -11.217 1.00 0.00 N ATOM 0 H LYS A 119 11.017 -14.595 -8.185 1.00 0.00 H new ATOM 0 HA LYS A 119 10.101 -16.402 -10.148 1.00 0.00 H new ATOM 0 HB2 LYS A 119 11.477 -13.725 -10.302 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.888 -14.592 -11.706 1.00 0.00 H new ATOM 0 HG2 LYS A 119 9.048 -14.122 -9.339 1.00 0.00 H new ATOM 0 HG3 LYS A 119 9.317 -12.840 -10.503 1.00 0.00 H new ATOM 0 HD2 LYS A 119 7.627 -13.808 -11.693 1.00 0.00 H new ATOM 0 HD3 LYS A 119 8.832 -14.983 -12.184 1.00 0.00 H new ATOM 0 HE2 LYS A 119 7.787 -15.687 -9.550 1.00 0.00 H new ATOM 0 HE3 LYS A 119 6.460 -15.463 -10.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 7.880 -17.709 -10.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 7.058 -17.240 -11.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 8.723 -16.942 -11.729 1.00 0.00 H new ATOM 1898 N GLU A 120 13.349 -16.147 -9.857 1.00 0.00 N ATOM 1899 CA GLU A 120 14.605 -16.780 -10.223 1.00 0.00 C ATOM 1900 C GLU A 120 15.277 -17.379 -8.986 1.00 0.00 C ATOM 1901 O GLU A 120 14.691 -17.398 -7.904 1.00 0.00 O ATOM 1902 CB GLU A 120 15.534 -15.788 -10.926 1.00 0.00 C ATOM 1903 CG GLU A 120 15.111 -15.577 -12.381 1.00 0.00 C ATOM 1904 CD GLU A 120 16.017 -16.359 -13.334 1.00 0.00 C ATOM 1905 OE1 GLU A 120 17.162 -15.900 -13.533 1.00 0.00 O ATOM 1906 OE2 GLU A 120 15.543 -17.397 -13.843 1.00 0.00 O ATOM 0 H GLU A 120 13.433 -15.395 -9.173 1.00 0.00 H new ATOM 0 HA GLU A 120 14.393 -17.587 -10.924 1.00 0.00 H new ATOM 0 HB2 GLU A 120 15.520 -14.835 -10.398 1.00 0.00 H new ATOM 0 HB3 GLU A 120 16.559 -16.157 -10.891 1.00 0.00 H new ATOM 0 HG2 GLU A 120 14.077 -15.896 -12.513 1.00 0.00 H new ATOM 0 HG3 GLU A 120 15.151 -14.515 -12.625 1.00 0.00 H new ATOM 1913 N LYS A 121 16.498 -17.853 -9.186 1.00 0.00 N ATOM 1914 CA LYS A 121 17.257 -18.450 -8.100 1.00 0.00 C ATOM 1915 C LYS A 121 16.881 -19.928 -7.975 1.00 0.00 C ATOM 1916 O LYS A 121 17.725 -20.805 -8.152 1.00 0.00 O ATOM 1917 CB LYS A 121 17.061 -17.654 -6.809 1.00 0.00 C ATOM 1918 CG LYS A 121 18.384 -17.499 -6.055 1.00 0.00 C ATOM 1919 CD LYS A 121 18.277 -16.419 -4.976 1.00 0.00 C ATOM 1920 CE LYS A 121 18.730 -15.061 -5.514 1.00 0.00 C ATOM 1921 NZ LYS A 121 20.165 -14.840 -5.224 1.00 0.00 N ATOM 0 H LYS A 121 16.981 -17.836 -10.084 1.00 0.00 H new ATOM 0 HA LYS A 121 18.325 -18.409 -8.313 1.00 0.00 H new ATOM 0 HB2 LYS A 121 16.654 -16.670 -7.042 1.00 0.00 H new ATOM 0 HB3 LYS A 121 16.333 -18.158 -6.174 1.00 0.00 H new ATOM 0 HG2 LYS A 121 18.659 -18.449 -5.597 1.00 0.00 H new ATOM 0 HG3 LYS A 121 19.178 -17.241 -6.756 1.00 0.00 H new ATOM 0 HD2 LYS A 121 17.247 -16.350 -4.626 1.00 0.00 H new ATOM 0 HD3 LYS A 121 18.888 -16.696 -4.117 1.00 0.00 H new ATOM 0 HE2 LYS A 121 18.559 -15.014 -6.589 1.00 0.00 H new ATOM 0 HE3 LYS A 121 18.135 -14.267 -5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 20.456 -13.913 -5.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 20.319 -14.864 -4.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 20.730 -15.587 -5.676 1.00 0.00 H new ATOM 1935 N SER A 122 15.612 -20.159 -7.670 1.00 0.00 N ATOM 1936 CA SER A 122 15.114 -21.516 -7.519 1.00 0.00 C ATOM 1937 C SER A 122 13.899 -21.731 -8.423 1.00 0.00 C ATOM 1938 O SER A 122 12.759 -21.669 -7.964 1.00 0.00 O ATOM 1939 CB SER A 122 14.749 -21.809 -6.062 1.00 0.00 C ATOM 1940 OG SER A 122 14.581 -23.204 -5.824 1.00 0.00 O ATOM 0 H SER A 122 14.914 -19.430 -7.523 1.00 0.00 H new ATOM 0 HA SER A 122 15.905 -22.206 -7.814 1.00 0.00 H new ATOM 0 HB2 SER A 122 15.530 -21.421 -5.408 1.00 0.00 H new ATOM 0 HB3 SER A 122 13.829 -21.284 -5.806 1.00 0.00 H new ATOM 0 HG SER A 122 14.350 -23.350 -4.883 1.00 0.00 H new ATOM 1946 N GLY A 123 14.184 -21.979 -9.693 1.00 0.00 N ATOM 1947 CA GLY A 123 13.128 -22.204 -10.667 1.00 0.00 C ATOM 1948 C GLY A 123 13.686 -22.196 -12.091 1.00 0.00 C ATOM 1949 O GLY A 123 14.899 -22.245 -12.288 1.00 0.00 O ATOM 0 H GLY A 123 15.130 -22.029 -10.070 1.00 0.00 H new ATOM 0 HA2 GLY A 123 12.642 -23.159 -10.468 1.00 0.00 H new ATOM 0 HA3 GLY A 123 12.365 -21.432 -10.567 1.00 0.00 H new ATOM 1953 N PRO A 124 12.749 -22.131 -13.075 1.00 0.00 N ATOM 1954 CA PRO A 124 13.134 -22.116 -14.476 1.00 0.00 C ATOM 1955 C PRO A 124 13.696 -20.750 -14.875 1.00 0.00 C ATOM 1956 O PRO A 124 13.625 -19.795 -14.102 1.00 0.00 O ATOM 1957 CB PRO A 124 11.869 -22.482 -15.235 1.00 0.00 C ATOM 1958 CG PRO A 124 10.718 -22.235 -14.273 1.00 0.00 C ATOM 1959 CD PRO A 124 11.303 -22.072 -12.880 1.00 0.00 C ATOM 0 HA PRO A 124 13.935 -22.820 -14.700 1.00 0.00 H new ATOM 0 HB2 PRO A 124 11.764 -21.875 -16.134 1.00 0.00 H new ATOM 0 HB3 PRO A 124 11.893 -23.524 -15.555 1.00 0.00 H new ATOM 0 HG2 PRO A 124 10.164 -21.342 -14.562 1.00 0.00 H new ATOM 0 HG3 PRO A 124 10.015 -23.068 -14.297 1.00 0.00 H new ATOM 0 HD2 PRO A 124 11.002 -21.125 -12.433 1.00 0.00 H new ATOM 0 HD3 PRO A 124 10.961 -22.863 -12.212 1.00 0.00 H new ATOM 1967 N SER A 125 14.242 -20.700 -16.081 1.00 0.00 N ATOM 1968 CA SER A 125 14.816 -19.467 -16.592 1.00 0.00 C ATOM 1969 C SER A 125 13.910 -18.876 -17.674 1.00 0.00 C ATOM 1970 O SER A 125 13.846 -19.397 -18.786 1.00 0.00 O ATOM 1971 CB SER A 125 16.222 -19.702 -17.147 1.00 0.00 C ATOM 1972 OG SER A 125 16.653 -18.630 -17.981 1.00 0.00 O ATOM 0 H SER A 125 14.299 -21.494 -16.719 1.00 0.00 H new ATOM 0 HA SER A 125 14.894 -18.759 -15.767 1.00 0.00 H new ATOM 0 HB2 SER A 125 16.922 -19.823 -16.321 1.00 0.00 H new ATOM 0 HB3 SER A 125 16.237 -20.632 -17.715 1.00 0.00 H new ATOM 0 HG SER A 125 17.555 -18.817 -18.314 1.00 0.00 H new ATOM 1978 N SER A 126 13.232 -17.798 -17.309 1.00 0.00 N ATOM 1979 CA SER A 126 12.332 -17.131 -18.235 1.00 0.00 C ATOM 1980 C SER A 126 13.119 -16.177 -19.134 1.00 0.00 C ATOM 1981 O SER A 126 13.421 -15.052 -18.738 1.00 0.00 O ATOM 1982 CB SER A 126 11.235 -16.372 -17.487 1.00 0.00 C ATOM 1983 OG SER A 126 9.932 -16.812 -17.859 1.00 0.00 O ATOM 0 H SER A 126 13.288 -17.370 -16.385 1.00 0.00 H new ATOM 0 HA SER A 126 11.853 -17.891 -18.853 1.00 0.00 H new ATOM 0 HB2 SER A 126 11.370 -16.505 -16.414 1.00 0.00 H new ATOM 0 HB3 SER A 126 11.329 -15.305 -17.690 1.00 0.00 H new ATOM 0 HG SER A 126 9.260 -16.304 -17.358 1.00 0.00 H new ATOM 1989 N GLY A 127 13.430 -16.660 -20.328 1.00 0.00 N ATOM 1990 CA GLY A 127 14.177 -15.863 -21.287 1.00 0.00 C ATOM 1991 C GLY A 127 13.676 -16.108 -22.712 1.00 0.00 C ATOM 1992 O GLY A 127 13.211 -15.185 -23.377 1.00 0.00 O ATOM 0 H GLY A 127 13.178 -17.593 -20.653 1.00 0.00 H new ATOM 0 HA2 GLY A 127 14.080 -14.806 -21.040 1.00 0.00 H new ATOM 0 HA3 GLY A 127 15.237 -16.109 -21.223 1.00 0.00 H new TER 1996 GLY A 127