USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 677 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 86 ASN : amide:sc= -3.58! C(o=-9.4!,f=-16!) USER MOD Set 1.2: A 90 HIS : no HE2:sc= -5.8! C(o=-9.4!,f=-13!) USER MOD Set 2.1: A 19 HIS :FLIP no HE2:sc= -11.2! C(o=-14!,f=-12!) USER MOD Set 2.2: A 71 TYR OH : rot 180:sc= -1.24 USER MOD Set 3.1: A 67 SER OG : rot 57:sc= 0.313 USER MOD Set 3.2: A 72 LYS NZ :NH3+ 136:sc= 0.332 (180deg=0) USER MOD Set 4.1: A 32 THR OG1 : rot -170:sc= -0.33! USER MOD Set 4.2: A 89 GLN : amide:sc= -1.84 K(o=-2.2,f=-6.5!) USER MOD Set 5.1: A 10 MET CE :methyl 160:sc= -4.85! (180deg=-4.3) USER MOD Set 5.2: A 70 MET CE :methyl -128:sc= -1.83 (180deg=-3.85!) USER MOD Single : A 1 MET CE :methyl -112:sc= -0.0818 (180deg=-0.992) USER MOD Single : A 1 MET N :NH3+ -107:sc= 0.283 (180deg=-0.0885) USER MOD Single : A 2 THR OG1 : rot -11:sc= 1.6 USER MOD Single : A 4 ASN : amide:sc= -0.0634 X(o=-0.063,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0211 USER MOD Single : A 7 SER OG : rot 15:sc= 0.388 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -3.11 K(o=-3.1,f=-11!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.2 X(o=-1.2,f=-0.83) USER MOD Single : A 33 GLN : amide:sc= -4.04! C(o=-4!,f=-10!) USER MOD Single : A 36 SER OG : rot 180:sc=-0.00156 USER MOD Single : A 38 HIS :FLIP no HD1:sc= -1.18 F(o=-1.8!,f=-1.2) USER MOD Single : A 42 ASN : amide:sc= -6.28! C(o=-6.3!,f=-11!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.0481 X(o=-0.048,f=-0.42) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.573 USER MOD Single : A 56 THR OG1 : rot -90:sc= -0.191! USER MOD Single : A 60 ASN : amide:sc= -5.62! C(o=-5.6!,f=-9.1!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0372 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0.757 K(o=0.76,f=-0.49) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -134:sc= -0.0928 (180deg=-2.63!) USER MOD Single : A 92 SER OG : rot 180:sc= -0.0802 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.0884 K(o=-0.088,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.747 -4.883 -9.230 1.00 0.00 N ATOM 2 CA MET A 1 5.882 -5.345 -8.113 1.00 0.00 C ATOM 3 C MET A 1 4.412 -5.341 -8.516 1.00 0.00 C ATOM 4 O MET A 1 3.759 -6.384 -8.530 1.00 0.00 O ATOM 5 CB MET A 1 6.103 -4.422 -6.913 1.00 0.00 C ATOM 6 CG MET A 1 7.528 -4.440 -6.387 1.00 0.00 C ATOM 7 SD MET A 1 8.503 -3.039 -6.969 1.00 0.00 S ATOM 8 CE MET A 1 9.554 -2.744 -5.550 1.00 0.00 C ATOM 0 H1 MET A 1 7.261 -5.694 -9.629 1.00 0.00 H new ATOM 0 H2 MET A 1 6.158 -4.449 -9.969 1.00 0.00 H new ATOM 0 H3 MET A 1 7.428 -4.182 -8.875 1.00 0.00 H new ATOM 0 HA MET A 1 6.148 -6.370 -7.854 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.842 -3.402 -7.196 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.425 -4.714 -6.111 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.509 -4.436 -5.297 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.012 -5.367 -6.694 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.287 -1.792 -5.091 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.420 -3.547 -4.825 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.596 -2.713 -5.869 1.00 0.00 H new ATOM 20 N THR A 2 3.898 -4.158 -8.843 1.00 0.00 N ATOM 21 CA THR A 2 2.503 -4.010 -9.250 1.00 0.00 C ATOM 22 C THR A 2 1.559 -4.442 -8.132 1.00 0.00 C ATOM 23 O THR A 2 1.569 -5.596 -7.707 1.00 0.00 O ATOM 24 CB THR A 2 2.220 -4.821 -10.516 1.00 0.00 C ATOM 25 OG1 THR A 2 1.962 -6.179 -10.199 1.00 0.00 O ATOM 26 CG2 THR A 2 3.355 -4.791 -11.519 1.00 0.00 C ATOM 0 H THR A 2 4.428 -3.286 -8.834 1.00 0.00 H new ATOM 0 HA THR A 2 2.328 -2.955 -9.462 1.00 0.00 H new ATOM 0 HB THR A 2 1.348 -4.348 -10.967 1.00 0.00 H new ATOM 0 HG1 THR A 2 2.197 -6.347 -9.262 1.00 0.00 H new ATOM 0 HG21 THR A 2 3.086 -5.387 -12.391 1.00 0.00 H new ATOM 0 HG22 THR A 2 3.542 -3.762 -11.826 1.00 0.00 H new ATOM 0 HG23 THR A 2 4.255 -5.203 -11.062 1.00 0.00 H new ATOM 31 N LEU A 3 0.743 -3.504 -7.662 1.00 0.00 N ATOM 32 CA LEU A 3 -0.210 -3.783 -6.595 1.00 0.00 C ATOM 33 C LEU A 3 -1.361 -4.644 -7.104 1.00 0.00 C ATOM 34 O LEU A 3 -2.161 -4.204 -7.928 1.00 0.00 O ATOM 35 CB LEU A 3 -0.748 -2.474 -6.011 1.00 0.00 C ATOM 36 CG LEU A 3 -1.932 -2.621 -5.052 1.00 0.00 C ATOM 37 CD1 LEU A 3 -2.002 -1.434 -4.104 1.00 0.00 C ATOM 38 CD2 LEU A 3 -3.233 -2.760 -5.827 1.00 0.00 C ATOM 0 H LEU A 3 0.723 -2.543 -8.004 1.00 0.00 H new ATOM 0 HA LEU A 3 0.308 -4.335 -5.811 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.063 -1.970 -5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.047 -1.825 -6.834 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.785 -3.525 -4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.850 -1.556 -3.430 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.082 -1.378 -3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.125 -0.516 -4.679 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.063 -2.863 -5.128 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.386 -1.874 -6.444 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.184 -3.642 -6.465 1.00 0.00 H new ATOM 44 N ASN A 4 -1.438 -5.872 -6.604 1.00 0.00 N ATOM 45 CA ASN A 4 -2.494 -6.792 -7.008 1.00 0.00 C ATOM 46 C ASN A 4 -3.744 -6.606 -6.152 1.00 0.00 C ATOM 47 O ASN A 4 -3.686 -6.044 -5.054 1.00 0.00 O ATOM 48 CB ASN A 4 -2.008 -8.235 -6.905 1.00 0.00 C ATOM 49 CG ASN A 4 -0.676 -8.449 -7.597 1.00 0.00 C ATOM 50 OD1 ASN A 4 0.249 -9.026 -7.024 1.00 0.00 O ATOM 51 ND2 ASN A 4 -0.571 -7.986 -8.838 1.00 0.00 N ATOM 0 H ASN A 4 -0.784 -6.253 -5.920 1.00 0.00 H new ATOM 0 HA ASN A 4 -2.750 -6.572 -8.044 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.916 -8.510 -5.854 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -2.753 -8.898 -7.344 1.00 0.00 H new ATOM 0 HD21 ASN A 4 0.301 -8.103 -9.354 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -1.363 -7.514 -9.275 1.00 0.00 H new ATOM 56 N ILE A 5 -4.876 -7.084 -6.663 1.00 0.00 N ATOM 57 CA ILE A 5 -6.144 -6.971 -5.950 1.00 0.00 C ATOM 58 C ILE A 5 -6.841 -8.322 -5.828 1.00 0.00 C ATOM 59 O ILE A 5 -6.403 -9.318 -6.403 1.00 0.00 O ATOM 60 CB ILE A 5 -7.112 -5.975 -6.633 1.00 0.00 C ATOM 61 CG1 ILE A 5 -6.653 -5.643 -8.061 1.00 0.00 C ATOM 62 CG2 ILE A 5 -7.239 -4.713 -5.797 1.00 0.00 C ATOM 63 CD1 ILE A 5 -5.478 -4.688 -8.128 1.00 0.00 C ATOM 0 H ILE A 5 -4.940 -7.552 -7.567 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.895 -6.597 -4.957 1.00 0.00 H new ATOM 0 HB ILE A 5 -8.093 -6.446 -6.705 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.384 -6.569 -8.569 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.490 -5.211 -8.609 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -7.922 -4.019 -6.287 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.626 -4.968 -4.810 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.260 -4.245 -5.693 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.216 -4.506 -9.170 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.747 -3.746 -7.651 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.624 -5.125 -7.611 1.00 0.00 H new ATOM 67 N THR A 6 -7.935 -8.337 -5.074 1.00 0.00 N ATOM 68 CA THR A 6 -8.716 -9.550 -4.864 1.00 0.00 C ATOM 69 C THR A 6 -10.202 -9.212 -4.787 1.00 0.00 C ATOM 70 O THR A 6 -11.017 -9.776 -5.516 1.00 0.00 O ATOM 71 CB THR A 6 -8.271 -10.251 -3.579 1.00 0.00 C ATOM 72 OG1 THR A 6 -6.860 -10.232 -3.462 1.00 0.00 O ATOM 73 CG2 THR A 6 -8.720 -11.693 -3.496 1.00 0.00 C ATOM 0 H THR A 6 -8.303 -7.515 -4.595 1.00 0.00 H new ATOM 0 HA THR A 6 -8.550 -10.222 -5.706 1.00 0.00 H new ATOM 0 HB THR A 6 -8.743 -9.695 -2.769 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.594 -10.683 -2.634 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.371 -12.130 -2.560 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.808 -11.738 -3.533 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.305 -12.252 -4.335 1.00 0.00 H new ATOM 78 N SER A 7 -10.539 -8.280 -3.900 1.00 0.00 N ATOM 79 CA SER A 7 -11.920 -7.842 -3.717 1.00 0.00 C ATOM 80 C SER A 7 -12.872 -9.023 -3.569 1.00 0.00 C ATOM 81 O SER A 7 -13.284 -9.632 -4.557 1.00 0.00 O ATOM 82 CB SER A 7 -12.360 -6.968 -4.888 1.00 0.00 C ATOM 83 OG SER A 7 -12.409 -7.713 -6.094 1.00 0.00 O ATOM 0 H SER A 7 -9.868 -7.810 -3.292 1.00 0.00 H new ATOM 0 HA SER A 7 -11.958 -7.261 -2.796 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.342 -6.544 -4.680 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.669 -6.133 -5.001 1.00 0.00 H new ATOM 0 HG SER A 7 -12.386 -8.671 -5.888 1.00 0.00 H new ATOM 89 N LYS A 8 -13.219 -9.341 -2.329 1.00 0.00 N ATOM 90 CA LYS A 8 -14.124 -10.449 -2.046 1.00 0.00 C ATOM 91 C LYS A 8 -15.486 -10.249 -2.713 1.00 0.00 C ATOM 92 O LYS A 8 -16.162 -11.219 -3.056 1.00 0.00 O ATOM 93 CB LYS A 8 -14.301 -10.611 -0.534 1.00 0.00 C ATOM 94 CG LYS A 8 -15.272 -9.613 0.079 1.00 0.00 C ATOM 95 CD LYS A 8 -14.935 -9.328 1.534 1.00 0.00 C ATOM 96 CE LYS A 8 -15.631 -10.305 2.467 1.00 0.00 C ATOM 97 NZ LYS A 8 -15.208 -10.119 3.882 1.00 0.00 N ATOM 0 H LYS A 8 -12.887 -8.847 -1.501 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.679 -11.355 -2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.652 -11.621 -0.325 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.330 -10.504 -0.050 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.247 -8.684 -0.490 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.288 -10.002 0.009 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.856 -9.391 1.678 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.231 -8.309 1.785 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -16.710 -10.174 2.391 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.411 -11.326 2.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -15.705 -10.804 4.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.182 -10.269 3.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.441 -9.153 4.190 1.00 0.00 H new ATOM 111 N GLN A 9 -15.895 -8.990 -2.885 1.00 0.00 N ATOM 112 CA GLN A 9 -17.187 -8.693 -3.500 1.00 0.00 C ATOM 113 C GLN A 9 -17.056 -7.685 -4.645 1.00 0.00 C ATOM 114 O GLN A 9 -16.883 -8.072 -5.800 1.00 0.00 O ATOM 115 CB GLN A 9 -18.188 -8.187 -2.450 1.00 0.00 C ATOM 116 CG GLN A 9 -17.572 -7.331 -1.349 1.00 0.00 C ATOM 117 CD GLN A 9 -18.073 -7.709 0.031 1.00 0.00 C ATOM 118 OE1 GLN A 9 -17.285 -7.957 0.944 1.00 0.00 O ATOM 119 NE2 GLN A 9 -19.391 -7.755 0.190 1.00 0.00 N ATOM 0 H GLN A 9 -15.356 -8.169 -2.610 1.00 0.00 H new ATOM 0 HA GLN A 9 -17.565 -9.624 -3.923 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -18.961 -7.607 -2.954 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -18.680 -9.045 -1.993 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -16.487 -7.433 -1.378 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -17.799 -6.282 -1.539 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -20.007 -7.542 -0.594 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -19.787 -8.004 1.097 1.00 0.00 H new ATOM 126 N MET A 10 -17.153 -6.393 -4.328 1.00 0.00 N ATOM 127 CA MET A 10 -17.058 -5.345 -5.342 1.00 0.00 C ATOM 128 C MET A 10 -15.827 -5.526 -6.216 1.00 0.00 C ATOM 129 O MET A 10 -14.700 -5.327 -5.765 1.00 0.00 O ATOM 130 CB MET A 10 -17.017 -3.965 -4.690 1.00 0.00 C ATOM 131 CG MET A 10 -15.957 -3.829 -3.612 1.00 0.00 C ATOM 132 SD MET A 10 -15.087 -2.252 -3.682 1.00 0.00 S ATOM 133 CE MET A 10 -14.605 -2.074 -1.969 1.00 0.00 C ATOM 0 H MET A 10 -17.297 -6.049 -3.379 1.00 0.00 H new ATOM 0 HA MET A 10 -17.945 -5.423 -5.970 1.00 0.00 H new ATOM 0 HB2 MET A 10 -16.837 -3.215 -5.460 1.00 0.00 H new ATOM 0 HB3 MET A 10 -17.993 -3.749 -4.256 1.00 0.00 H new ATOM 0 HG2 MET A 10 -16.425 -3.937 -2.633 1.00 0.00 H new ATOM 0 HG3 MET A 10 -15.237 -4.641 -3.713 1.00 0.00 H new ATOM 0 HE1 MET A 10 -13.780 -1.365 -1.895 1.00 0.00 H new ATOM 0 HE2 MET A 10 -15.452 -1.707 -1.389 1.00 0.00 H new ATOM 0 HE3 MET A 10 -14.289 -3.041 -1.578 1.00 0.00 H new ATOM 143 N ASP A 11 -16.045 -5.894 -7.472 1.00 0.00 N ATOM 144 CA ASP A 11 -14.943 -6.092 -8.400 1.00 0.00 C ATOM 145 C ASP A 11 -14.079 -4.838 -8.480 1.00 0.00 C ATOM 146 O ASP A 11 -14.373 -3.832 -7.835 1.00 0.00 O ATOM 147 CB ASP A 11 -15.470 -6.458 -9.789 1.00 0.00 C ATOM 148 CG ASP A 11 -16.328 -7.707 -9.770 1.00 0.00 C ATOM 149 OD1 ASP A 11 -17.469 -7.637 -9.266 1.00 0.00 O ATOM 150 OD2 ASP A 11 -15.859 -8.757 -10.259 1.00 0.00 O ATOM 0 H ASP A 11 -16.970 -6.060 -7.868 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.330 -6.915 -8.032 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -16.053 -5.626 -10.184 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.629 -6.608 -10.466 1.00 0.00 H new ATOM 155 N ILE A 12 -13.015 -4.900 -9.271 1.00 0.00 N ATOM 156 CA ILE A 12 -12.120 -3.758 -9.421 1.00 0.00 C ATOM 157 C ILE A 12 -12.388 -3.023 -10.729 1.00 0.00 C ATOM 158 O ILE A 12 -12.723 -3.634 -11.743 1.00 0.00 O ATOM 159 CB ILE A 12 -10.621 -4.154 -9.364 1.00 0.00 C ATOM 160 CG1 ILE A 12 -10.444 -5.668 -9.198 1.00 0.00 C ATOM 161 CG2 ILE A 12 -9.925 -3.413 -8.230 1.00 0.00 C ATOM 162 CD1 ILE A 12 -10.957 -6.200 -7.878 1.00 0.00 C ATOM 0 H ILE A 12 -12.752 -5.722 -9.815 1.00 0.00 H new ATOM 0 HA ILE A 12 -12.328 -3.103 -8.575 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.164 -3.869 -10.312 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.963 -6.177 -10.011 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.386 -5.914 -9.292 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.874 -3.699 -8.200 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -10.004 -2.338 -8.395 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.398 -3.671 -7.283 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.798 -7.277 -7.833 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.421 -5.720 -7.059 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.022 -5.987 -7.789 1.00 0.00 H new ATOM 166 N THR A 13 -12.237 -1.706 -10.690 1.00 0.00 N ATOM 167 CA THR A 13 -12.459 -0.871 -11.862 1.00 0.00 C ATOM 168 C THR A 13 -11.418 0.246 -11.921 1.00 0.00 C ATOM 169 O THR A 13 -10.582 0.368 -11.027 1.00 0.00 O ATOM 170 CB THR A 13 -13.876 -0.283 -11.841 1.00 0.00 C ATOM 171 OG1 THR A 13 -13.881 1.013 -11.269 1.00 0.00 O ATOM 172 CG2 THR A 13 -14.871 -1.126 -11.069 1.00 0.00 C ATOM 0 H THR A 13 -11.960 -1.191 -9.854 1.00 0.00 H new ATOM 0 HA THR A 13 -12.356 -1.489 -12.754 1.00 0.00 H new ATOM 0 HB THR A 13 -14.182 -0.254 -12.887 1.00 0.00 H new ATOM 0 HG1 THR A 13 -14.795 1.367 -11.269 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.851 -0.649 -11.097 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.936 -2.116 -11.520 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.543 -1.220 -10.034 1.00 0.00 H new ATOM 177 N PRO A 14 -11.450 1.078 -12.976 1.00 0.00 N ATOM 178 CA PRO A 14 -10.499 2.182 -13.140 1.00 0.00 C ATOM 179 C PRO A 14 -10.299 2.986 -11.858 1.00 0.00 C ATOM 180 O PRO A 14 -9.171 3.307 -11.488 1.00 0.00 O ATOM 181 CB PRO A 14 -11.156 3.044 -14.212 1.00 0.00 C ATOM 182 CG PRO A 14 -11.926 2.077 -15.042 1.00 0.00 C ATOM 183 CD PRO A 14 -12.413 1.012 -14.095 1.00 0.00 C ATOM 0 HA PRO A 14 -9.503 1.826 -13.401 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.809 3.798 -13.771 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.412 3.575 -14.807 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -12.762 2.569 -15.539 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.299 1.647 -15.823 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.432 1.208 -13.760 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.416 0.028 -14.565 1.00 0.00 H new ATOM 191 N ALA A 15 -11.399 3.311 -11.185 1.00 0.00 N ATOM 192 CA ALA A 15 -11.336 4.082 -9.947 1.00 0.00 C ATOM 193 C ALA A 15 -10.389 3.435 -8.942 1.00 0.00 C ATOM 194 O ALA A 15 -9.231 3.834 -8.829 1.00 0.00 O ATOM 195 CB ALA A 15 -12.726 4.240 -9.348 1.00 0.00 C ATOM 0 H ALA A 15 -12.342 3.053 -11.475 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.945 5.071 -10.185 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.661 4.817 -8.426 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.371 4.760 -10.057 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -13.143 3.256 -9.132 1.00 0.00 H new ATOM 201 N ILE A 16 -10.879 2.432 -8.215 1.00 0.00 N ATOM 202 CA ILE A 16 -10.053 1.742 -7.232 1.00 0.00 C ATOM 203 C ILE A 16 -8.734 1.310 -7.854 1.00 0.00 C ATOM 204 O ILE A 16 -7.667 1.694 -7.384 1.00 0.00 O ATOM 205 CB ILE A 16 -10.757 0.504 -6.640 1.00 0.00 C ATOM 206 CG1 ILE A 16 -11.615 -0.203 -7.699 1.00 0.00 C ATOM 207 CG2 ILE A 16 -11.587 0.900 -5.427 1.00 0.00 C ATOM 208 CD1 ILE A 16 -13.097 0.086 -7.599 1.00 0.00 C ATOM 0 H ILE A 16 -11.835 2.083 -8.288 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.873 2.451 -6.424 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.995 -0.205 -6.315 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.266 0.093 -8.688 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.461 -1.279 -7.615 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.079 0.017 -5.019 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.937 1.337 -4.669 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -12.340 1.630 -5.724 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -13.627 -0.453 -8.384 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -13.466 -0.236 -6.625 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -13.268 1.156 -7.715 1.00 0.00 H new ATOM 212 N ARG A 17 -8.813 0.524 -8.931 1.00 0.00 N ATOM 213 CA ARG A 17 -7.615 0.054 -9.629 1.00 0.00 C ATOM 214 C ARG A 17 -6.571 1.165 -9.692 1.00 0.00 C ATOM 215 O ARG A 17 -5.442 1.007 -9.226 1.00 0.00 O ATOM 216 CB ARG A 17 -7.970 -0.401 -11.045 1.00 0.00 C ATOM 217 CG ARG A 17 -6.858 -1.177 -11.730 1.00 0.00 C ATOM 218 CD ARG A 17 -7.365 -1.922 -12.955 1.00 0.00 C ATOM 219 NE ARG A 17 -7.102 -3.357 -12.869 1.00 0.00 N ATOM 220 CZ ARG A 17 -7.060 -4.169 -13.923 1.00 0.00 C ATOM 221 NH1 ARG A 17 -7.266 -3.695 -15.145 1.00 0.00 N ATOM 222 NH2 ARG A 17 -6.812 -5.461 -13.754 1.00 0.00 N ATOM 0 H ARG A 17 -9.691 0.201 -9.337 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.203 -0.791 -9.077 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.864 -1.023 -11.005 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.217 0.473 -11.648 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.063 -0.491 -12.024 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.423 -1.887 -11.027 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.437 -1.755 -13.063 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.888 -1.519 -13.848 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.941 -3.761 -11.946 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.458 -2.703 -15.281 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.232 -4.323 -15.948 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.654 -5.832 -12.817 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.780 -6.084 -14.561 1.00 0.00 H new ATOM 236 N GLU A 18 -6.976 2.298 -10.255 1.00 0.00 N ATOM 237 CA GLU A 18 -6.099 3.457 -10.366 1.00 0.00 C ATOM 238 C GLU A 18 -5.694 3.945 -8.979 1.00 0.00 C ATOM 239 O GLU A 18 -4.542 4.306 -8.746 1.00 0.00 O ATOM 240 CB GLU A 18 -6.800 4.580 -11.138 1.00 0.00 C ATOM 241 CG GLU A 18 -5.968 5.846 -11.268 1.00 0.00 C ATOM 242 CD GLU A 18 -5.222 5.921 -12.585 1.00 0.00 C ATOM 243 OE1 GLU A 18 -5.685 5.303 -13.567 1.00 0.00 O ATOM 244 OE2 GLU A 18 -4.171 6.595 -12.634 1.00 0.00 O ATOM 0 H GLU A 18 -7.909 2.438 -10.643 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.201 3.166 -10.911 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.054 4.219 -12.135 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.738 4.822 -10.638 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.619 6.715 -11.173 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.253 5.892 -10.447 1.00 0.00 H new ATOM 251 N HIS A 19 -6.653 3.934 -8.055 1.00 0.00 N ATOM 252 CA HIS A 19 -6.407 4.354 -6.684 1.00 0.00 C ATOM 253 C HIS A 19 -5.355 3.446 -6.054 1.00 0.00 C ATOM 254 O HIS A 19 -4.228 3.865 -5.796 1.00 0.00 O ATOM 255 CB HIS A 19 -7.713 4.290 -5.896 1.00 0.00 C ATOM 256 CG HIS A 19 -7.740 5.137 -4.674 1.00 0.00 C ATOM 257 ND1 HIS A 19 -8.353 4.921 -3.501 1.00 0.00 N flip ATOM 258 CD2 HIS A 19 -7.121 6.363 -4.570 1.00 0.00 C flip ATOM 259 CE1 HIS A 19 -8.105 6.008 -2.699 1.00 0.00 C flip ATOM 260 NE2 HIS A 19 -7.357 6.866 -3.370 1.00 0.00 N flip ATOM 0 H HIS A 19 -7.612 3.636 -8.236 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.036 5.379 -6.669 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -8.532 4.592 -6.549 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.899 3.255 -5.609 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -8.903 4.099 -3.250 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -6.537 6.837 -5.344 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -8.462 6.140 -1.688 1.00 0.00 H new ATOM 269 N LEU A 20 -5.733 2.188 -5.837 1.00 0.00 N ATOM 270 CA LEU A 20 -4.829 1.191 -5.268 1.00 0.00 C ATOM 271 C LEU A 20 -3.469 1.250 -5.964 1.00 0.00 C ATOM 272 O LEU A 20 -2.426 1.395 -5.316 1.00 0.00 O ATOM 273 CB LEU A 20 -5.430 -0.213 -5.403 1.00 0.00 C ATOM 274 CG LEU A 20 -6.959 -0.287 -5.262 1.00 0.00 C ATOM 275 CD1 LEU A 20 -7.482 -1.695 -5.500 1.00 0.00 C ATOM 276 CD2 LEU A 20 -7.383 0.215 -3.896 1.00 0.00 C ATOM 0 H LEU A 20 -6.666 1.833 -6.048 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.692 1.412 -4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.151 -0.618 -6.376 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.980 -0.858 -4.648 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.394 0.354 -6.028 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.566 -1.704 -5.391 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.216 -2.017 -6.507 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.039 -2.375 -4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.468 0.158 -3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.923 -0.401 -3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.063 1.250 -3.773 1.00 0.00 H new ATOM 282 N GLU A 21 -3.490 1.158 -7.294 1.00 0.00 N ATOM 283 CA GLU A 21 -2.264 1.221 -8.084 1.00 0.00 C ATOM 284 C GLU A 21 -1.493 2.496 -7.762 1.00 0.00 C ATOM 285 O GLU A 21 -0.337 2.447 -7.337 1.00 0.00 O ATOM 286 CB GLU A 21 -2.589 1.170 -9.578 1.00 0.00 C ATOM 287 CG GLU A 21 -3.105 -0.181 -10.044 1.00 0.00 C ATOM 288 CD GLU A 21 -3.703 -0.128 -11.436 1.00 0.00 C ATOM 289 OE1 GLU A 21 -4.315 0.905 -11.780 1.00 0.00 O ATOM 290 OE2 GLU A 21 -3.557 -1.118 -12.182 1.00 0.00 O ATOM 0 H GLU A 21 -4.341 1.040 -7.844 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.645 0.360 -7.830 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.335 1.932 -9.805 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.693 1.422 -10.145 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.288 -0.902 -10.031 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.858 -0.540 -9.342 1.00 0.00 H new ATOM 297 N GLU A 22 -2.150 3.638 -7.953 1.00 0.00 N ATOM 298 CA GLU A 22 -1.535 4.929 -7.669 1.00 0.00 C ATOM 299 C GLU A 22 -0.996 4.958 -6.243 1.00 0.00 C ATOM 300 O GLU A 22 0.071 5.514 -5.982 1.00 0.00 O ATOM 301 CB GLU A 22 -2.547 6.058 -7.871 1.00 0.00 C ATOM 302 CG GLU A 22 -2.791 6.402 -9.331 1.00 0.00 C ATOM 303 CD GLU A 22 -1.595 7.074 -9.979 1.00 0.00 C ATOM 304 OE1 GLU A 22 -1.232 8.187 -9.544 1.00 0.00 O ATOM 305 OE2 GLU A 22 -1.021 6.485 -10.919 1.00 0.00 O ATOM 0 H GLU A 22 -3.107 3.694 -8.303 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.705 5.075 -8.361 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.493 5.773 -7.410 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.194 6.948 -7.351 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.033 5.492 -9.880 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.657 7.059 -9.406 1.00 0.00 H new ATOM 312 N ARG A 23 -1.736 4.341 -5.324 1.00 0.00 N ATOM 313 CA ARG A 23 -1.324 4.286 -3.929 1.00 0.00 C ATOM 314 C ARG A 23 -0.003 3.540 -3.802 1.00 0.00 C ATOM 315 O ARG A 23 0.927 4.016 -3.151 1.00 0.00 O ATOM 316 CB ARG A 23 -2.396 3.618 -3.069 1.00 0.00 C ATOM 317 CG ARG A 23 -3.506 4.566 -2.646 1.00 0.00 C ATOM 318 CD ARG A 23 -2.951 5.824 -1.992 1.00 0.00 C ATOM 319 NE ARG A 23 -3.966 6.538 -1.222 1.00 0.00 N ATOM 320 CZ ARG A 23 -4.746 7.495 -1.723 1.00 0.00 C ATOM 321 NH1 ARG A 23 -4.644 7.849 -2.999 1.00 0.00 N ATOM 322 NH2 ARG A 23 -5.635 8.097 -0.945 1.00 0.00 N ATOM 0 H ARG A 23 -2.621 3.874 -5.522 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.190 5.307 -3.571 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.830 2.786 -3.624 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.928 3.198 -2.179 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.102 4.841 -3.516 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.174 4.058 -1.950 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.122 5.556 -1.337 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.549 6.484 -2.761 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.085 6.289 -0.240 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.965 7.387 -3.604 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.245 8.583 -3.374 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.721 7.827 0.035 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.233 8.830 -1.326 1.00 0.00 H new ATOM 336 N LEU A 24 0.085 2.379 -4.447 1.00 0.00 N ATOM 337 CA LEU A 24 1.315 1.594 -4.413 1.00 0.00 C ATOM 338 C LEU A 24 2.437 2.379 -5.081 1.00 0.00 C ATOM 339 O LEU A 24 3.509 2.576 -4.501 1.00 0.00 O ATOM 340 CB LEU A 24 1.120 0.247 -5.118 1.00 0.00 C ATOM 341 CG LEU A 24 2.133 -0.848 -4.757 1.00 0.00 C ATOM 342 CD1 LEU A 24 3.558 -0.369 -4.983 1.00 0.00 C ATOM 343 CD2 LEU A 24 1.942 -1.307 -3.318 1.00 0.00 C ATOM 0 H LEU A 24 -0.671 1.965 -4.993 1.00 0.00 H new ATOM 0 HA LEU A 24 1.578 1.397 -3.374 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.120 -0.120 -4.889 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.160 0.412 -6.195 1.00 0.00 H new ATOM 0 HG LEU A 24 1.955 -1.699 -5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.255 -1.164 -4.719 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.690 -0.103 -6.032 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.751 0.504 -4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.671 -2.083 -3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.083 -0.462 -2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.935 -1.705 -3.194 1.00 0.00 H new ATOM 349 N ALA A 25 2.171 2.851 -6.298 1.00 0.00 N ATOM 350 CA ALA A 25 3.147 3.640 -7.037 1.00 0.00 C ATOM 351 C ALA A 25 3.595 4.829 -6.199 1.00 0.00 C ATOM 352 O ALA A 25 4.734 5.288 -6.305 1.00 0.00 O ATOM 353 CB ALA A 25 2.559 4.109 -8.360 1.00 0.00 C ATOM 0 H ALA A 25 1.290 2.700 -6.789 1.00 0.00 H new ATOM 0 HA ALA A 25 4.015 3.016 -7.252 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.301 4.697 -8.900 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.276 3.244 -8.959 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.678 4.722 -8.170 1.00 0.00 H new ATOM 359 N LYS A 26 2.691 5.310 -5.349 1.00 0.00 N ATOM 360 CA LYS A 26 2.985 6.431 -4.470 1.00 0.00 C ATOM 361 C LYS A 26 3.816 5.957 -3.284 1.00 0.00 C ATOM 362 O LYS A 26 4.731 6.648 -2.836 1.00 0.00 O ATOM 363 CB LYS A 26 1.690 7.081 -3.979 1.00 0.00 C ATOM 364 CG LYS A 26 1.896 8.453 -3.356 1.00 0.00 C ATOM 365 CD LYS A 26 1.173 9.539 -4.138 1.00 0.00 C ATOM 366 CE LYS A 26 1.636 10.926 -3.722 1.00 0.00 C ATOM 367 NZ LYS A 26 2.907 11.312 -4.395 1.00 0.00 N ATOM 0 H LYS A 26 1.747 4.937 -5.253 1.00 0.00 H new ATOM 0 HA LYS A 26 3.554 7.174 -5.030 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.998 7.172 -4.817 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.219 6.425 -3.246 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.535 8.444 -2.327 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.962 8.680 -3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.350 9.400 -5.205 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.098 9.450 -3.979 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.862 11.655 -3.963 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.775 10.954 -2.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.189 12.264 -4.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.653 10.631 -4.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.768 11.311 -5.426 1.00 0.00 H new ATOM 381 N LEU A 27 3.500 4.760 -2.789 1.00 0.00 N ATOM 382 CA LEU A 27 4.232 4.187 -1.667 1.00 0.00 C ATOM 383 C LEU A 27 5.616 3.718 -2.112 1.00 0.00 C ATOM 384 O LEU A 27 6.467 3.399 -1.284 1.00 0.00 O ATOM 385 CB LEU A 27 3.448 3.025 -1.036 1.00 0.00 C ATOM 386 CG LEU A 27 2.808 3.339 0.321 1.00 0.00 C ATOM 387 CD1 LEU A 27 2.256 2.073 0.961 1.00 0.00 C ATOM 388 CD2 LEU A 27 3.811 4.012 1.249 1.00 0.00 C ATOM 0 H LEU A 27 2.746 4.174 -3.147 1.00 0.00 H new ATOM 0 HA LEU A 27 4.355 4.964 -0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.664 2.717 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.120 2.175 -0.916 1.00 0.00 H new ATOM 0 HG LEU A 27 1.981 4.029 0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.806 2.318 1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.501 1.635 0.308 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.065 1.358 1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.335 4.226 2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.662 3.349 1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.155 4.943 0.799 1.00 0.00 H new ATOM 394 N GLY A 28 5.840 3.691 -3.427 1.00 0.00 N ATOM 395 CA GLY A 28 7.129 3.273 -3.950 1.00 0.00 C ATOM 396 C GLY A 28 8.252 4.192 -3.509 1.00 0.00 C ATOM 397 O GLY A 28 9.383 3.750 -3.306 1.00 0.00 O ATOM 0 H GLY A 28 5.153 3.951 -4.135 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.342 2.257 -3.618 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.087 3.250 -5.039 1.00 0.00 H new ATOM 401 N LYS A 29 7.935 5.473 -3.353 1.00 0.00 N ATOM 402 CA LYS A 29 8.917 6.463 -2.923 1.00 0.00 C ATOM 403 C LYS A 29 9.500 6.095 -1.558 1.00 0.00 C ATOM 404 O LYS A 29 10.568 6.574 -1.177 1.00 0.00 O ATOM 405 CB LYS A 29 8.266 7.848 -2.861 1.00 0.00 C ATOM 406 CG LYS A 29 9.153 8.925 -2.254 1.00 0.00 C ATOM 407 CD LYS A 29 8.362 10.184 -1.934 1.00 0.00 C ATOM 408 CE LYS A 29 8.427 10.526 -0.454 1.00 0.00 C ATOM 409 NZ LYS A 29 9.541 11.465 -0.149 1.00 0.00 N ATOM 0 H LYS A 29 7.002 5.851 -3.519 1.00 0.00 H new ATOM 0 HA LYS A 29 9.731 6.480 -3.648 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.984 8.151 -3.869 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.346 7.780 -2.280 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.618 8.545 -1.344 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.959 9.167 -2.947 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.752 11.018 -2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.322 10.046 -2.231 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.482 10.971 -0.142 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.555 9.611 0.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.551 11.673 0.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.446 11.031 -0.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.406 12.348 -0.681 1.00 0.00 H new ATOM 423 N TRP A 30 8.787 5.244 -0.829 1.00 0.00 N ATOM 424 CA TRP A 30 9.212 4.810 0.483 1.00 0.00 C ATOM 425 C TRP A 30 10.292 3.744 0.376 1.00 0.00 C ATOM 426 O TRP A 30 10.032 2.638 -0.088 1.00 0.00 O ATOM 427 CB TRP A 30 8.019 4.266 1.260 1.00 0.00 C ATOM 428 CG TRP A 30 7.023 5.322 1.621 1.00 0.00 C ATOM 429 CD1 TRP A 30 6.086 5.889 0.807 1.00 0.00 C ATOM 430 CD2 TRP A 30 6.877 5.945 2.894 1.00 0.00 C ATOM 431 NE1 TRP A 30 5.356 6.822 1.509 1.00 0.00 N ATOM 432 CE2 TRP A 30 5.828 6.874 2.795 1.00 0.00 C ATOM 433 CE3 TRP A 30 7.534 5.799 4.110 1.00 0.00 C ATOM 434 CZ2 TRP A 30 5.425 7.657 3.877 1.00 0.00 C ATOM 435 CZ3 TRP A 30 7.138 6.575 5.179 1.00 0.00 C ATOM 436 CH2 TRP A 30 6.092 7.493 5.056 1.00 0.00 C ATOM 0 H TRP A 30 7.902 4.840 -1.136 1.00 0.00 H new ATOM 0 HA TRP A 30 9.627 5.667 1.013 1.00 0.00 H new ATOM 0 HB2 TRP A 30 7.525 3.498 0.665 1.00 0.00 H new ATOM 0 HB3 TRP A 30 8.375 3.784 2.171 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.939 5.642 -0.234 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.590 7.382 1.134 1.00 0.00 H new ATOM 0 HE3 TRP A 30 8.341 5.090 4.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.616 8.366 3.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.645 6.471 6.127 1.00 0.00 H new ATOM 0 HH2 TRP A 30 5.805 8.085 5.912 1.00 0.00 H new ATOM 447 N GLN A 31 11.501 4.102 0.799 1.00 0.00 N ATOM 448 CA GLN A 31 12.660 3.201 0.760 1.00 0.00 C ATOM 449 C GLN A 31 12.300 1.771 1.169 1.00 0.00 C ATOM 450 O GLN A 31 12.697 1.298 2.234 1.00 0.00 O ATOM 451 CB GLN A 31 13.775 3.728 1.672 1.00 0.00 C ATOM 452 CG GLN A 31 13.277 4.499 2.887 1.00 0.00 C ATOM 453 CD GLN A 31 13.295 5.998 2.667 1.00 0.00 C ATOM 454 OE1 GLN A 31 12.312 6.688 2.937 1.00 0.00 O ATOM 455 NE2 GLN A 31 14.416 6.510 2.174 1.00 0.00 N ATOM 0 H GLN A 31 11.710 5.025 1.180 1.00 0.00 H new ATOM 0 HA GLN A 31 13.006 3.175 -0.273 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.379 2.887 2.012 1.00 0.00 H new ATOM 0 HB3 GLN A 31 14.430 4.375 1.089 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.262 4.182 3.124 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.897 4.254 3.749 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.206 5.900 1.965 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.487 7.513 2.004 1.00 0.00 H new ATOM 462 N THR A 32 11.547 1.089 0.313 1.00 0.00 N ATOM 463 CA THR A 32 11.131 -0.275 0.567 1.00 0.00 C ATOM 464 C THR A 32 10.914 -1.012 -0.754 1.00 0.00 C ATOM 465 O THR A 32 10.786 -0.393 -1.812 1.00 0.00 O ATOM 466 CB THR A 32 9.846 -0.273 1.406 1.00 0.00 C ATOM 467 OG1 THR A 32 10.146 -0.049 2.771 1.00 0.00 O ATOM 468 CG2 THR A 32 9.052 -1.560 1.328 1.00 0.00 C ATOM 0 H THR A 32 11.212 1.469 -0.572 1.00 0.00 H new ATOM 0 HA THR A 32 11.911 -0.794 1.123 1.00 0.00 H new ATOM 0 HB THR A 32 9.239 0.528 0.983 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.344 -0.206 3.312 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.160 -1.475 1.949 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.759 -1.744 0.295 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.665 -2.388 1.684 1.00 0.00 H new ATOM 473 N GLN A 33 10.845 -2.331 -0.675 1.00 0.00 N ATOM 474 CA GLN A 33 10.611 -3.167 -1.840 1.00 0.00 C ATOM 475 C GLN A 33 9.401 -4.028 -1.567 1.00 0.00 C ATOM 476 O GLN A 33 9.498 -5.103 -0.975 1.00 0.00 O ATOM 477 CB GLN A 33 11.819 -4.041 -2.158 1.00 0.00 C ATOM 478 CG GLN A 33 12.560 -4.532 -0.926 1.00 0.00 C ATOM 479 CD GLN A 33 13.624 -3.551 -0.467 1.00 0.00 C ATOM 480 OE1 GLN A 33 13.429 -2.337 -0.529 1.00 0.00 O ATOM 481 NE2 GLN A 33 14.758 -4.068 -0.004 1.00 0.00 N ATOM 0 H GLN A 33 10.949 -2.851 0.196 1.00 0.00 H new ATOM 0 HA GLN A 33 10.440 -2.530 -2.708 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.490 -4.902 -2.740 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.509 -3.477 -2.785 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.848 -4.697 -0.118 1.00 0.00 H new ATOM 0 HG3 GLN A 33 13.025 -5.494 -1.143 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.880 -5.080 0.031 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.506 -3.453 0.316 1.00 0.00 H new ATOM 488 N LEU A 34 8.256 -3.516 -1.961 1.00 0.00 N ATOM 489 CA LEU A 34 6.996 -4.189 -1.725 1.00 0.00 C ATOM 490 C LEU A 34 7.033 -5.652 -2.138 1.00 0.00 C ATOM 491 O LEU A 34 6.821 -5.993 -3.301 1.00 0.00 O ATOM 492 CB LEU A 34 5.864 -3.459 -2.445 1.00 0.00 C ATOM 493 CG LEU A 34 5.859 -1.933 -2.285 1.00 0.00 C ATOM 494 CD1 LEU A 34 6.526 -1.513 -0.977 1.00 0.00 C ATOM 495 CD2 LEU A 34 6.548 -1.277 -3.473 1.00 0.00 C ATOM 0 H LEU A 34 8.171 -2.626 -2.452 1.00 0.00 H new ATOM 0 HA LEU A 34 6.814 -4.166 -0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.920 -3.696 -3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.913 -3.849 -2.081 1.00 0.00 H new ATOM 0 HG LEU A 34 4.822 -1.598 -2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.507 -0.427 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.988 -1.952 -0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.559 -1.860 -0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.538 -0.194 -3.347 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.579 -1.625 -3.534 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.021 -1.541 -4.390 1.00 0.00 H new ATOM 501 N ILE A 35 7.282 -6.510 -1.159 1.00 0.00 N ATOM 502 CA ILE A 35 7.326 -7.942 -1.385 1.00 0.00 C ATOM 503 C ILE A 35 5.934 -8.458 -1.725 1.00 0.00 C ATOM 504 O ILE A 35 5.153 -8.804 -0.839 1.00 0.00 O ATOM 505 CB ILE A 35 7.869 -8.668 -0.141 1.00 0.00 C ATOM 506 CG1 ILE A 35 9.354 -8.326 0.036 1.00 0.00 C ATOM 507 CG2 ILE A 35 7.659 -10.176 -0.260 1.00 0.00 C ATOM 508 CD1 ILE A 35 10.091 -9.274 0.948 1.00 0.00 C ATOM 0 H ILE A 35 7.458 -6.233 -0.193 1.00 0.00 H new ATOM 0 HA ILE A 35 7.995 -8.142 -2.222 1.00 0.00 H new ATOM 0 HB ILE A 35 7.323 -8.333 0.741 1.00 0.00 H new ATOM 0 HG12 ILE A 35 9.837 -8.327 -0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.440 -7.314 0.433 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.050 -10.669 0.630 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.594 -10.389 -0.354 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.183 -10.548 -1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 35 11.134 -8.968 1.024 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.634 -9.256 1.938 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.038 -10.284 0.542 1.00 0.00 H new ATOM 512 N SER A 36 5.623 -8.488 -3.016 1.00 0.00 N ATOM 513 CA SER A 36 4.314 -8.942 -3.475 1.00 0.00 C ATOM 514 C SER A 36 3.206 -8.157 -2.783 1.00 0.00 C ATOM 515 O SER A 36 2.740 -8.524 -1.704 1.00 0.00 O ATOM 516 CB SER A 36 4.156 -10.441 -3.216 1.00 0.00 C ATOM 517 OG SER A 36 2.794 -10.828 -3.260 1.00 0.00 O ATOM 0 H SER A 36 6.257 -8.204 -3.763 1.00 0.00 H new ATOM 0 HA SER A 36 4.238 -8.766 -4.548 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.721 -11.003 -3.960 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.576 -10.691 -2.242 1.00 0.00 H new ATOM 0 HG SER A 36 2.722 -11.791 -3.093 1.00 0.00 H new ATOM 523 N PRO A 37 2.795 -7.042 -3.401 1.00 0.00 N ATOM 524 CA PRO A 37 1.765 -6.156 -2.867 1.00 0.00 C ATOM 525 C PRO A 37 0.347 -6.522 -3.299 1.00 0.00 C ATOM 526 O PRO A 37 0.082 -6.770 -4.478 1.00 0.00 O ATOM 527 CB PRO A 37 2.164 -4.818 -3.473 1.00 0.00 C ATOM 528 CG PRO A 37 2.725 -5.175 -4.810 1.00 0.00 C ATOM 529 CD PRO A 37 3.338 -6.537 -4.674 1.00 0.00 C ATOM 0 HA PRO A 37 1.724 -6.190 -1.778 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.307 -4.151 -3.566 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.901 -4.305 -2.856 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.943 -5.177 -5.569 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.471 -4.445 -5.123 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.066 -7.183 -5.509 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.427 -6.485 -4.652 1.00 0.00 H new ATOM 537 N HIS A 38 -0.565 -6.525 -2.332 1.00 0.00 N ATOM 538 CA HIS A 38 -1.966 -6.829 -2.589 1.00 0.00 C ATOM 539 C HIS A 38 -2.861 -5.784 -1.952 1.00 0.00 C ATOM 540 O HIS A 38 -2.416 -4.965 -1.148 1.00 0.00 O ATOM 541 CB HIS A 38 -2.347 -8.195 -2.029 1.00 0.00 C ATOM 542 CG HIS A 38 -2.499 -9.261 -3.063 1.00 0.00 C ATOM 543 ND1 HIS A 38 -3.357 -9.370 -4.104 1.00 0.00 N flip ATOM 544 CD2 HIS A 38 -1.729 -10.402 -3.079 1.00 0.00 C flip ATOM 545 CE1 HIS A 38 -3.093 -10.567 -4.722 1.00 0.00 C flip ATOM 546 NE2 HIS A 38 -2.108 -11.170 -4.085 1.00 0.00 N flip ATOM 0 H HIS A 38 -0.355 -6.318 -1.356 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.103 -6.831 -3.670 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.587 -8.506 -1.312 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.284 -8.101 -1.480 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -0.939 -10.633 -2.379 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -3.608 -10.953 -5.589 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -1.707 -12.076 -4.328 1.00 0.00 H new ATOM 555 N PHE A 39 -4.132 -5.849 -2.296 1.00 0.00 N ATOM 556 CA PHE A 39 -5.119 -4.939 -1.742 1.00 0.00 C ATOM 557 C PHE A 39 -6.498 -5.585 -1.723 1.00 0.00 C ATOM 558 O PHE A 39 -7.190 -5.628 -2.741 1.00 0.00 O ATOM 559 CB PHE A 39 -5.150 -3.624 -2.513 1.00 0.00 C ATOM 560 CG PHE A 39 -4.659 -2.452 -1.711 1.00 0.00 C ATOM 561 CD1 PHE A 39 -3.303 -2.232 -1.532 1.00 0.00 C ATOM 562 CD2 PHE A 39 -5.560 -1.572 -1.135 1.00 0.00 C ATOM 563 CE1 PHE A 39 -2.855 -1.153 -0.792 1.00 0.00 C ATOM 564 CE2 PHE A 39 -5.118 -0.492 -0.395 1.00 0.00 C ATOM 565 CZ PHE A 39 -3.766 -0.282 -0.223 1.00 0.00 C ATOM 0 H PHE A 39 -4.508 -6.526 -2.960 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.830 -4.718 -0.715 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.539 -3.723 -3.410 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.170 -3.428 -2.842 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.588 -2.910 -1.975 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.620 -1.732 -1.266 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.796 -0.991 -0.659 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.831 0.187 0.048 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.419 0.562 0.355 1.00 0.00 H new ATOM 575 N VAL A 40 -6.893 -6.083 -0.558 1.00 0.00 N ATOM 576 CA VAL A 40 -8.181 -6.720 -0.397 1.00 0.00 C ATOM 577 C VAL A 40 -9.239 -5.690 -0.020 1.00 0.00 C ATOM 578 O VAL A 40 -9.454 -5.399 1.158 1.00 0.00 O ATOM 579 CB VAL A 40 -8.111 -7.812 0.683 1.00 0.00 C ATOM 580 CG1 VAL A 40 -9.421 -8.563 0.761 1.00 0.00 C ATOM 581 CG2 VAL A 40 -6.954 -8.764 0.405 1.00 0.00 C ATOM 0 H VAL A 40 -6.330 -6.054 0.292 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.455 -7.180 -1.346 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.934 -7.336 1.648 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.354 -9.332 1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.224 -7.869 1.010 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.631 -9.030 -0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.919 -9.530 1.179 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.097 -9.236 -0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.017 -8.207 0.404 1.00 0.00 H new ATOM 585 N LEU A 41 -9.882 -5.128 -1.038 1.00 0.00 N ATOM 586 CA LEU A 41 -10.907 -4.112 -0.839 1.00 0.00 C ATOM 587 C LEU A 41 -12.298 -4.732 -0.780 1.00 0.00 C ATOM 588 O LEU A 41 -12.597 -5.678 -1.505 1.00 0.00 O ATOM 589 CB LEU A 41 -10.849 -3.091 -1.975 1.00 0.00 C ATOM 590 CG LEU A 41 -11.098 -3.669 -3.371 1.00 0.00 C ATOM 591 CD1 LEU A 41 -11.914 -2.704 -4.219 1.00 0.00 C ATOM 592 CD2 LEU A 41 -9.779 -3.998 -4.052 1.00 0.00 C ATOM 0 H LEU A 41 -9.709 -5.362 -2.016 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.713 -3.618 0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.587 -2.312 -1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.870 -2.612 -1.965 1.00 0.00 H new ATOM 0 HG LEU A 41 -11.670 -4.590 -3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.078 -3.136 -5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.875 -2.521 -3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -11.374 -1.763 -4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.974 -4.408 -5.043 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.181 -3.091 -4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.235 -4.731 -3.457 1.00 0.00 H new ATOM 598 N ASN A 42 -13.151 -4.187 0.081 1.00 0.00 N ATOM 599 CA ASN A 42 -14.511 -4.692 0.215 1.00 0.00 C ATOM 600 C ASN A 42 -15.480 -3.593 0.636 1.00 0.00 C ATOM 601 O ASN A 42 -15.078 -2.503 1.045 1.00 0.00 O ATOM 602 CB ASN A 42 -14.574 -5.840 1.222 1.00 0.00 C ATOM 603 CG ASN A 42 -13.416 -6.803 1.072 1.00 0.00 C ATOM 604 OD1 ASN A 42 -13.324 -7.532 0.085 1.00 0.00 O ATOM 605 ND2 ASN A 42 -12.527 -6.811 2.053 1.00 0.00 N ATOM 0 H ASN A 42 -12.926 -3.402 0.692 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.810 -5.060 -0.766 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -14.576 -5.433 2.233 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -15.512 -6.381 1.094 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.725 -7.440 2.009 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.644 -6.189 2.853 1.00 0.00 H new ATOM 610 N LYS A 43 -16.761 -3.908 0.536 1.00 0.00 N ATOM 611 CA LYS A 43 -17.824 -2.983 0.902 1.00 0.00 C ATOM 612 C LYS A 43 -18.819 -3.674 1.822 1.00 0.00 C ATOM 613 O LYS A 43 -18.813 -4.897 1.954 1.00 0.00 O ATOM 614 CB LYS A 43 -18.563 -2.496 -0.355 1.00 0.00 C ATOM 615 CG LYS A 43 -20.069 -2.304 -0.153 1.00 0.00 C ATOM 616 CD LYS A 43 -20.753 -1.853 -1.433 1.00 0.00 C ATOM 617 CE LYS A 43 -22.000 -1.034 -1.137 1.00 0.00 C ATOM 618 NZ LYS A 43 -23.164 -1.897 -0.797 1.00 0.00 N ATOM 0 H LYS A 43 -17.094 -4.811 0.199 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.378 -2.131 1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -18.126 -1.551 -0.678 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.403 -3.213 -1.160 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -20.513 -3.240 0.187 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -20.240 -1.566 0.631 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -20.059 -1.260 -2.029 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -21.021 -2.724 -2.030 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -21.799 -0.353 -0.310 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -22.245 -0.419 -2.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -23.993 -1.300 -0.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -23.372 -2.529 -1.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -22.941 -2.465 0.045 1.00 0.00 H new ATOM 632 N VAL A 44 -19.694 -2.885 2.422 1.00 0.00 N ATOM 633 CA VAL A 44 -20.717 -3.419 3.289 1.00 0.00 C ATOM 634 C VAL A 44 -21.837 -2.403 3.517 1.00 0.00 C ATOM 635 O VAL A 44 -21.650 -1.204 3.321 1.00 0.00 O ATOM 636 CB VAL A 44 -20.145 -3.859 4.635 1.00 0.00 C ATOM 637 CG1 VAL A 44 -19.595 -5.276 4.549 1.00 0.00 C ATOM 638 CG2 VAL A 44 -19.077 -2.893 5.133 1.00 0.00 C ATOM 0 H VAL A 44 -19.712 -1.870 2.321 1.00 0.00 H new ATOM 0 HA VAL A 44 -21.128 -4.294 2.785 1.00 0.00 H new ATOM 0 HB VAL A 44 -20.960 -3.849 5.359 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -19.192 -5.570 5.518 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -20.395 -5.960 4.266 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -18.803 -5.314 3.801 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -18.693 -3.238 6.093 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -18.262 -2.848 4.411 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -19.511 -1.900 5.252 1.00 0.00 H new ATOM 642 N PRO A 45 -23.024 -2.869 3.933 1.00 0.00 N ATOM 643 CA PRO A 45 -24.172 -1.992 4.180 1.00 0.00 C ATOM 644 C PRO A 45 -23.830 -0.841 5.120 1.00 0.00 C ATOM 645 O PRO A 45 -24.285 0.287 4.929 1.00 0.00 O ATOM 646 CB PRO A 45 -25.217 -2.919 4.820 1.00 0.00 C ATOM 647 CG PRO A 45 -24.484 -4.173 5.170 1.00 0.00 C ATOM 648 CD PRO A 45 -23.350 -4.277 4.195 1.00 0.00 C ATOM 0 HA PRO A 45 -24.520 -1.518 3.262 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -25.656 -2.461 5.707 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -26.035 -3.123 4.129 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -24.115 -4.136 6.195 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -25.140 -5.041 5.099 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -22.502 -4.818 4.615 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -23.644 -4.801 3.286 1.00 0.00 H new ATOM 656 N ASN A 46 -23.030 -1.136 6.138 1.00 0.00 N ATOM 657 CA ASN A 46 -22.630 -0.130 7.115 1.00 0.00 C ATOM 658 C ASN A 46 -21.477 0.739 6.604 1.00 0.00 C ATOM 659 O ASN A 46 -21.015 1.634 7.310 1.00 0.00 O ATOM 660 CB ASN A 46 -22.227 -0.804 8.428 1.00 0.00 C ATOM 661 CG ASN A 46 -22.747 -0.060 9.642 1.00 0.00 C ATOM 662 OD1 ASN A 46 -23.911 0.340 9.688 1.00 0.00 O ATOM 663 ND2 ASN A 46 -21.886 0.128 10.636 1.00 0.00 N ATOM 0 H ASN A 46 -22.645 -2.065 6.309 1.00 0.00 H new ATOM 0 HA ASN A 46 -23.488 0.521 7.283 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -22.607 -1.825 8.441 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -21.140 -0.868 8.482 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -22.180 0.621 11.479 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -20.931 -0.220 10.556 1.00 0.00 H new ATOM 668 N GLY A 47 -21.007 0.471 5.386 1.00 0.00 N ATOM 669 CA GLY A 47 -19.910 1.244 4.841 1.00 0.00 C ATOM 670 C GLY A 47 -19.049 0.446 3.892 1.00 0.00 C ATOM 671 O GLY A 47 -19.526 -0.419 3.163 1.00 0.00 O ATOM 0 H GLY A 47 -21.365 -0.262 4.774 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -20.308 2.114 4.319 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.293 1.617 5.658 1.00 0.00 H new ATOM 675 N PHE A 48 -17.773 0.752 3.912 1.00 0.00 N ATOM 676 CA PHE A 48 -16.799 0.086 3.071 1.00 0.00 C ATOM 677 C PHE A 48 -15.663 -0.463 3.919 1.00 0.00 C ATOM 678 O PHE A 48 -15.116 0.248 4.765 1.00 0.00 O ATOM 679 CB PHE A 48 -16.215 1.063 2.058 1.00 0.00 C ATOM 680 CG PHE A 48 -17.079 1.334 0.866 1.00 0.00 C ATOM 681 CD1 PHE A 48 -17.993 2.373 0.876 1.00 0.00 C ATOM 682 CD2 PHE A 48 -16.959 0.560 -0.270 1.00 0.00 C ATOM 683 CE1 PHE A 48 -18.775 2.631 -0.232 1.00 0.00 C ATOM 684 CE2 PHE A 48 -17.734 0.812 -1.383 1.00 0.00 C ATOM 685 CZ PHE A 48 -18.643 1.847 -1.365 1.00 0.00 C ATOM 0 H PHE A 48 -17.377 1.473 4.514 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.303 -0.728 2.550 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -16.012 2.008 2.563 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -15.257 0.674 1.712 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -18.095 2.987 1.758 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -16.249 -0.254 -0.288 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -19.488 3.442 -0.215 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -17.628 0.199 -2.266 1.00 0.00 H new ATOM 0 HZ PHE A 48 -19.252 2.046 -2.234 1.00 0.00 H new ATOM 695 N SER A 49 -15.290 -1.711 3.676 1.00 0.00 N ATOM 696 CA SER A 49 -14.192 -2.319 4.404 1.00 0.00 C ATOM 697 C SER A 49 -13.055 -2.607 3.450 1.00 0.00 C ATOM 698 O SER A 49 -13.226 -3.290 2.443 1.00 0.00 O ATOM 699 CB SER A 49 -14.619 -3.598 5.115 1.00 0.00 C ATOM 700 OG SER A 49 -15.968 -3.924 4.829 1.00 0.00 O ATOM 0 H SER A 49 -15.730 -2.317 2.984 1.00 0.00 H new ATOM 0 HA SER A 49 -13.864 -1.617 5.171 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.972 -4.420 4.808 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.493 -3.477 6.191 1.00 0.00 H new ATOM 0 HG SER A 49 -16.212 -4.749 5.298 1.00 0.00 H new ATOM 706 N VAL A 50 -11.901 -2.068 3.770 1.00 0.00 N ATOM 707 CA VAL A 50 -10.722 -2.243 2.934 1.00 0.00 C ATOM 708 C VAL A 50 -9.569 -2.827 3.736 1.00 0.00 C ATOM 709 O VAL A 50 -9.463 -2.598 4.939 1.00 0.00 O ATOM 710 CB VAL A 50 -10.266 -0.908 2.304 1.00 0.00 C ATOM 711 CG1 VAL A 50 -9.737 -1.139 0.898 1.00 0.00 C ATOM 712 CG2 VAL A 50 -11.400 0.109 2.291 1.00 0.00 C ATOM 0 H VAL A 50 -11.747 -1.502 4.605 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.001 -2.932 2.137 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.461 -0.502 2.916 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.420 -0.189 0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.888 -1.821 0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.523 -1.572 0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.050 1.039 1.842 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.234 -0.283 1.709 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.729 0.301 3.312 1.00 0.00 H new ATOM 716 N GLU A 51 -8.705 -3.576 3.063 1.00 0.00 N ATOM 717 CA GLU A 51 -7.553 -4.187 3.712 1.00 0.00 C ATOM 718 C GLU A 51 -6.406 -4.338 2.723 1.00 0.00 C ATOM 719 O GLU A 51 -6.542 -4.991 1.691 1.00 0.00 O ATOM 720 CB GLU A 51 -7.934 -5.544 4.303 1.00 0.00 C ATOM 721 CG GLU A 51 -6.763 -6.335 4.869 1.00 0.00 C ATOM 722 CD GLU A 51 -7.034 -7.826 4.908 1.00 0.00 C ATOM 723 OE1 GLU A 51 -7.863 -8.299 4.104 1.00 0.00 O ATOM 724 OE2 GLU A 51 -6.417 -8.519 5.743 1.00 0.00 O ATOM 0 H GLU A 51 -8.781 -3.775 2.066 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.225 -3.537 4.523 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.668 -5.389 5.094 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.419 -6.140 3.530 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.875 -6.146 4.265 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.544 -5.982 5.877 1.00 0.00 H new ATOM 731 N ALA A 52 -5.279 -3.726 3.050 1.00 0.00 N ATOM 732 CA ALA A 52 -4.102 -3.784 2.192 1.00 0.00 C ATOM 733 C ALA A 52 -3.119 -4.834 2.689 1.00 0.00 C ATOM 734 O ALA A 52 -2.910 -4.982 3.895 1.00 0.00 O ATOM 735 CB ALA A 52 -3.430 -2.421 2.120 1.00 0.00 C ATOM 0 H ALA A 52 -5.152 -3.182 3.904 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.425 -4.068 1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.553 -2.481 1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.130 -1.691 1.713 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.125 -2.112 3.120 1.00 0.00 H new ATOM 741 N SER A 53 -2.518 -5.564 1.754 1.00 0.00 N ATOM 742 CA SER A 53 -1.558 -6.603 2.101 1.00 0.00 C ATOM 743 C SER A 53 -0.292 -6.502 1.259 1.00 0.00 C ATOM 744 O SER A 53 -0.235 -6.997 0.135 1.00 0.00 O ATOM 745 CB SER A 53 -2.181 -7.986 1.930 1.00 0.00 C ATOM 746 OG SER A 53 -3.099 -8.003 0.851 1.00 0.00 O ATOM 0 H SER A 53 -2.679 -5.455 0.753 1.00 0.00 H new ATOM 0 HA SER A 53 -1.284 -6.457 3.146 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.397 -8.722 1.755 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.690 -8.275 2.849 1.00 0.00 H new ATOM 0 HG SER A 53 -3.482 -8.900 0.762 1.00 0.00 H new ATOM 752 N ILE A 54 0.725 -5.876 1.830 1.00 0.00 N ATOM 753 CA ILE A 54 2.014 -5.718 1.170 1.00 0.00 C ATOM 754 C ILE A 54 3.107 -6.322 2.046 1.00 0.00 C ATOM 755 O ILE A 54 2.824 -6.824 3.134 1.00 0.00 O ATOM 756 CB ILE A 54 2.347 -4.232 0.886 1.00 0.00 C ATOM 757 CG1 ILE A 54 1.066 -3.412 0.681 1.00 0.00 C ATOM 758 CG2 ILE A 54 3.254 -4.120 -0.332 1.00 0.00 C ATOM 759 CD1 ILE A 54 1.315 -1.991 0.207 1.00 0.00 C ATOM 0 H ILE A 54 0.682 -5.464 2.762 1.00 0.00 H new ATOM 0 HA ILE A 54 1.961 -6.234 0.212 1.00 0.00 H new ATOM 0 HB ILE A 54 2.871 -3.827 1.752 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.433 -3.921 -0.045 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.513 -3.380 1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.481 -3.071 -0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.180 -4.664 -0.147 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.751 -4.545 -1.201 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.362 -1.476 0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.922 -1.463 0.943 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.840 -2.013 -0.748 1.00 0.00 H new ATOM 763 N GLY A 55 4.350 -6.277 1.583 1.00 0.00 N ATOM 764 CA GLY A 55 5.435 -6.831 2.360 1.00 0.00 C ATOM 765 C GLY A 55 6.730 -6.077 2.175 1.00 0.00 C ATOM 766 O GLY A 55 6.962 -5.460 1.137 1.00 0.00 O ATOM 0 H GLY A 55 4.622 -5.869 0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.162 -6.822 3.415 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.583 -7.873 2.078 1.00 0.00 H new ATOM 770 N THR A 56 7.575 -6.141 3.186 1.00 0.00 N ATOM 771 CA THR A 56 8.874 -5.479 3.149 1.00 0.00 C ATOM 772 C THR A 56 9.946 -6.363 3.768 1.00 0.00 C ATOM 773 O THR A 56 9.724 -6.963 4.818 1.00 0.00 O ATOM 774 CB THR A 56 8.862 -4.142 3.900 1.00 0.00 C ATOM 775 OG1 THR A 56 9.381 -4.303 5.218 1.00 0.00 O ATOM 776 CG2 THR A 56 7.494 -3.502 3.998 1.00 0.00 C ATOM 0 H THR A 56 7.387 -6.648 4.051 1.00 0.00 H new ATOM 0 HA THR A 56 9.095 -5.293 2.098 1.00 0.00 H new ATOM 0 HB THR A 56 9.492 -3.477 3.309 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.650 -4.525 5.832 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.571 -2.561 4.543 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.109 -3.311 2.996 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.816 -4.172 4.526 1.00 0.00 H new ATOM 781 N PRO A 57 11.140 -6.441 3.156 1.00 0.00 N ATOM 782 CA PRO A 57 12.228 -7.239 3.711 1.00 0.00 C ATOM 783 C PRO A 57 12.458 -6.925 5.189 1.00 0.00 C ATOM 784 O PRO A 57 13.054 -7.720 5.916 1.00 0.00 O ATOM 785 CB PRO A 57 13.446 -6.815 2.892 1.00 0.00 C ATOM 786 CG PRO A 57 12.897 -6.295 1.609 1.00 0.00 C ATOM 787 CD PRO A 57 11.527 -5.752 1.909 1.00 0.00 C ATOM 0 HA PRO A 57 12.018 -8.307 3.659 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.022 -6.050 3.412 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.117 -7.657 2.720 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.541 -5.516 1.201 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.844 -7.087 0.862 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.545 -4.670 2.039 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.827 -5.964 1.101 1.00 0.00 H new ATOM 795 N LEU A 58 11.983 -5.755 5.629 1.00 0.00 N ATOM 796 CA LEU A 58 12.147 -5.342 7.021 1.00 0.00 C ATOM 797 C LEU A 58 10.956 -5.798 7.861 1.00 0.00 C ATOM 798 O LEU A 58 11.063 -5.967 9.076 1.00 0.00 O ATOM 799 CB LEU A 58 12.309 -3.822 7.112 1.00 0.00 C ATOM 800 CG LEU A 58 12.901 -3.148 5.868 1.00 0.00 C ATOM 801 CD1 LEU A 58 13.002 -1.645 6.071 1.00 0.00 C ATOM 802 CD2 LEU A 58 14.267 -3.736 5.535 1.00 0.00 C ATOM 0 H LEU A 58 11.486 -5.084 5.044 1.00 0.00 H new ATOM 0 HA LEU A 58 13.048 -5.813 7.414 1.00 0.00 H new ATOM 0 HB2 LEU A 58 11.333 -3.381 7.314 1.00 0.00 H new ATOM 0 HB3 LEU A 58 12.945 -3.592 7.967 1.00 0.00 H new ATOM 0 HG LEU A 58 12.233 -3.337 5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 58 13.424 -1.185 5.178 1.00 0.00 H new ATOM 0 HD12 LEU A 58 12.009 -1.235 6.256 1.00 0.00 H new ATOM 0 HD13 LEU A 58 13.645 -1.436 6.926 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.669 -3.244 4.649 1.00 0.00 H new ATOM 0 HD22 LEU A 58 14.944 -3.581 6.375 1.00 0.00 H new ATOM 0 HD23 LEU A 58 14.166 -4.804 5.342 1.00 0.00 H new ATOM 808 N GLY A 59 9.827 -6.000 7.195 1.00 0.00 N ATOM 809 CA GLY A 59 8.619 -6.439 7.863 1.00 0.00 C ATOM 810 C GLY A 59 7.410 -6.297 6.964 1.00 0.00 C ATOM 811 O GLY A 59 7.215 -5.255 6.347 1.00 0.00 O ATOM 0 H GLY A 59 9.727 -5.865 6.189 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.728 -7.480 8.168 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.470 -5.855 8.771 1.00 0.00 H new ATOM 815 N ASN A 60 6.606 -7.348 6.875 1.00 0.00 N ATOM 816 CA ASN A 60 5.420 -7.331 6.025 1.00 0.00 C ATOM 817 C ASN A 60 4.599 -6.057 6.249 1.00 0.00 C ATOM 818 O ASN A 60 4.882 -5.278 7.159 1.00 0.00 O ATOM 819 CB ASN A 60 4.569 -8.590 6.279 1.00 0.00 C ATOM 820 CG ASN A 60 3.104 -8.296 6.522 1.00 0.00 C ATOM 821 OD1 ASN A 60 2.237 -8.734 5.766 1.00 0.00 O ATOM 822 ND2 ASN A 60 2.823 -7.554 7.581 1.00 0.00 N ATOM 0 H ASN A 60 6.752 -8.222 7.380 1.00 0.00 H new ATOM 0 HA ASN A 60 5.741 -7.334 4.983 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.659 -9.258 5.422 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.972 -9.122 7.141 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.854 -7.323 7.799 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.576 -7.213 8.179 1.00 0.00 H new ATOM 827 N LEU A 61 3.569 -5.864 5.428 1.00 0.00 N ATOM 828 CA LEU A 61 2.706 -4.702 5.559 1.00 0.00 C ATOM 829 C LEU A 61 1.253 -5.075 5.331 1.00 0.00 C ATOM 830 O LEU A 61 0.849 -5.400 4.221 1.00 0.00 O ATOM 831 CB LEU A 61 3.081 -3.609 4.559 1.00 0.00 C ATOM 832 CG LEU A 61 4.225 -2.675 4.959 1.00 0.00 C ATOM 833 CD1 LEU A 61 4.924 -2.148 3.716 1.00 0.00 C ATOM 834 CD2 LEU A 61 3.712 -1.511 5.801 1.00 0.00 C ATOM 0 H LEU A 61 3.316 -6.497 4.669 1.00 0.00 H new ATOM 0 HA LEU A 61 2.840 -4.328 6.574 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.346 -4.087 3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.196 -3.002 4.371 1.00 0.00 H new ATOM 0 HG LEU A 61 4.936 -3.243 5.559 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.737 -1.484 4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.327 -2.983 3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.210 -1.598 3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.545 -0.863 6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.981 -0.942 5.227 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.243 -1.896 6.706 1.00 0.00 H new ATOM 840 N LEU A 62 0.472 -4.990 6.383 1.00 0.00 N ATOM 841 CA LEU A 62 -0.948 -5.278 6.303 1.00 0.00 C ATOM 842 C LEU A 62 -1.736 -4.139 6.920 1.00 0.00 C ATOM 843 O LEU A 62 -1.235 -3.407 7.773 1.00 0.00 O ATOM 844 CB LEU A 62 -1.302 -6.586 7.006 1.00 0.00 C ATOM 845 CG LEU A 62 -0.574 -7.827 6.486 1.00 0.00 C ATOM 846 CD1 LEU A 62 -0.938 -9.048 7.317 1.00 0.00 C ATOM 847 CD2 LEU A 62 -0.905 -8.061 5.020 1.00 0.00 C ATOM 0 H LEU A 62 0.796 -4.722 7.312 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.207 -5.384 5.250 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.086 -6.478 8.069 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.376 -6.750 6.914 1.00 0.00 H new ATOM 0 HG LEU A 62 0.499 -7.660 6.575 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.410 -9.921 6.932 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.652 -8.880 8.355 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.013 -9.220 7.260 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.379 -8.947 4.665 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.979 -8.207 4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.594 -7.196 4.434 1.00 0.00 H new ATOM 853 N ALA A 63 -2.969 -3.998 6.484 1.00 0.00 N ATOM 854 CA ALA A 63 -3.844 -2.949 6.985 1.00 0.00 C ATOM 855 C ALA A 63 -5.297 -3.267 6.673 1.00 0.00 C ATOM 856 O ALA A 63 -5.589 -4.029 5.753 1.00 0.00 O ATOM 857 CB ALA A 63 -3.454 -1.604 6.393 1.00 0.00 C ATOM 0 H ALA A 63 -3.395 -4.599 5.778 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.731 -2.896 8.068 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.118 -0.831 6.778 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.426 -1.369 6.669 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.538 -1.646 5.307 1.00 0.00 H new ATOM 863 N SER A 64 -6.202 -2.677 7.443 1.00 0.00 N ATOM 864 CA SER A 64 -7.629 -2.898 7.247 1.00 0.00 C ATOM 865 C SER A 64 -8.443 -1.824 7.961 1.00 0.00 C ATOM 866 O SER A 64 -8.050 -1.341 9.023 1.00 0.00 O ATOM 867 CB SER A 64 -8.027 -4.285 7.758 1.00 0.00 C ATOM 868 OG SER A 64 -7.131 -4.738 8.758 1.00 0.00 O ATOM 0 H SER A 64 -5.974 -2.042 8.208 1.00 0.00 H new ATOM 0 HA SER A 64 -7.840 -2.841 6.179 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.039 -4.251 8.161 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.038 -4.992 6.928 1.00 0.00 H new ATOM 0 HG SER A 64 -7.409 -5.625 9.069 1.00 0.00 H new ATOM 874 N ALA A 65 -9.576 -1.449 7.374 1.00 0.00 N ATOM 875 CA ALA A 65 -10.431 -0.428 7.966 1.00 0.00 C ATOM 876 C ALA A 65 -11.837 -0.459 7.374 1.00 0.00 C ATOM 877 O ALA A 65 -12.045 -0.931 6.255 1.00 0.00 O ATOM 878 CB ALA A 65 -9.810 0.948 7.777 1.00 0.00 C ATOM 0 H ALA A 65 -9.921 -1.834 6.495 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.516 -0.641 9.032 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.457 1.703 8.223 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.833 0.976 8.260 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.694 1.152 6.713 1.00 0.00 H new ATOM 884 N THR A 66 -12.796 0.056 8.139 1.00 0.00 N ATOM 885 CA THR A 66 -14.189 0.104 7.708 1.00 0.00 C ATOM 886 C THR A 66 -14.757 1.506 7.905 1.00 0.00 C ATOM 887 O THR A 66 -14.570 2.112 8.960 1.00 0.00 O ATOM 888 CB THR A 66 -15.024 -0.906 8.499 1.00 0.00 C ATOM 889 OG1 THR A 66 -14.500 -2.214 8.355 1.00 0.00 O ATOM 890 CG2 THR A 66 -16.477 -0.942 8.080 1.00 0.00 C ATOM 0 H THR A 66 -12.631 0.448 9.066 1.00 0.00 H new ATOM 0 HA THR A 66 -14.231 -0.151 6.649 1.00 0.00 H new ATOM 0 HB THR A 66 -14.972 -0.573 9.536 1.00 0.00 H new ATOM 0 HG1 THR A 66 -15.047 -2.844 8.869 1.00 0.00 H new ATOM 0 HG21 THR A 66 -17.011 -1.679 8.681 1.00 0.00 H new ATOM 0 HG22 THR A 66 -16.923 0.041 8.230 1.00 0.00 H new ATOM 0 HG23 THR A 66 -16.545 -1.214 7.027 1.00 0.00 H new ATOM 895 N SER A 67 -15.447 2.025 6.891 1.00 0.00 N ATOM 896 CA SER A 67 -16.024 3.358 6.985 1.00 0.00 C ATOM 897 C SER A 67 -17.007 3.612 5.853 1.00 0.00 C ATOM 898 O SER A 67 -16.989 2.925 4.835 1.00 0.00 O ATOM 899 CB SER A 67 -14.919 4.412 6.948 1.00 0.00 C ATOM 900 OG SER A 67 -14.887 5.165 8.149 1.00 0.00 O ATOM 0 H SER A 67 -15.617 1.547 6.006 1.00 0.00 H new ATOM 0 HA SER A 67 -16.561 3.425 7.931 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.955 3.927 6.794 1.00 0.00 H new ATOM 0 HB3 SER A 67 -15.078 5.080 6.101 1.00 0.00 H new ATOM 0 HG SER A 67 -14.779 4.560 8.912 1.00 0.00 H new ATOM 906 N ASP A 68 -17.852 4.619 6.030 1.00 0.00 N ATOM 907 CA ASP A 68 -18.830 4.978 5.017 1.00 0.00 C ATOM 908 C ASP A 68 -18.189 5.808 3.906 1.00 0.00 C ATOM 909 O ASP A 68 -18.878 6.285 3.005 1.00 0.00 O ATOM 910 CB ASP A 68 -19.982 5.755 5.653 1.00 0.00 C ATOM 911 CG ASP A 68 -19.499 6.906 6.515 1.00 0.00 C ATOM 912 OD1 ASP A 68 -19.134 6.660 7.683 1.00 0.00 O ATOM 913 OD2 ASP A 68 -19.486 8.053 6.021 1.00 0.00 O ATOM 0 H ASP A 68 -17.878 5.201 6.867 1.00 0.00 H new ATOM 0 HA ASP A 68 -19.217 4.059 4.576 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -20.633 6.141 4.868 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -20.582 5.077 6.260 1.00 0.00 H new ATOM 918 N ASP A 69 -16.868 5.984 3.974 1.00 0.00 N ATOM 919 CA ASP A 69 -16.154 6.761 2.970 1.00 0.00 C ATOM 920 C ASP A 69 -15.095 5.915 2.270 1.00 0.00 C ATOM 921 O ASP A 69 -14.001 5.709 2.788 1.00 0.00 O ATOM 922 CB ASP A 69 -15.509 7.988 3.612 1.00 0.00 C ATOM 923 CG ASP A 69 -16.478 9.146 3.749 1.00 0.00 C ATOM 924 OD1 ASP A 69 -16.875 9.714 2.710 1.00 0.00 O ATOM 925 OD2 ASP A 69 -16.840 9.484 4.896 1.00 0.00 O ATOM 0 H ASP A 69 -16.277 5.600 4.711 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.875 7.089 2.221 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.126 7.720 4.597 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.655 8.302 3.012 1.00 0.00 H new ATOM 930 N MET A 70 -15.449 5.425 1.088 1.00 0.00 N ATOM 931 CA MET A 70 -14.573 4.588 0.275 1.00 0.00 C ATOM 932 C MET A 70 -13.109 5.041 0.301 1.00 0.00 C ATOM 933 O MET A 70 -12.242 4.358 0.858 1.00 0.00 O ATOM 934 CB MET A 70 -15.090 4.593 -1.166 1.00 0.00 C ATOM 935 CG MET A 70 -15.700 3.270 -1.599 1.00 0.00 C ATOM 936 SD MET A 70 -14.911 2.583 -3.068 1.00 0.00 S ATOM 937 CE MET A 70 -13.470 1.814 -2.337 1.00 0.00 C ATOM 0 H MET A 70 -16.360 5.598 0.663 1.00 0.00 H new ATOM 0 HA MET A 70 -14.593 3.583 0.698 1.00 0.00 H new ATOM 0 HB2 MET A 70 -15.837 5.380 -1.272 1.00 0.00 H new ATOM 0 HB3 MET A 70 -14.268 4.841 -1.837 1.00 0.00 H new ATOM 0 HG2 MET A 70 -15.621 2.554 -0.781 1.00 0.00 H new ATOM 0 HG3 MET A 70 -16.763 3.412 -1.796 1.00 0.00 H new ATOM 0 HE1 MET A 70 -12.574 2.151 -2.858 1.00 0.00 H new ATOM 0 HE2 MET A 70 -13.404 2.092 -1.285 1.00 0.00 H new ATOM 0 HE3 MET A 70 -13.553 0.731 -2.422 1.00 0.00 H new ATOM 947 N TYR A 71 -12.835 6.177 -0.329 1.00 0.00 N ATOM 948 CA TYR A 71 -11.474 6.689 -0.404 1.00 0.00 C ATOM 949 C TYR A 71 -10.922 7.045 0.960 1.00 0.00 C ATOM 950 O TYR A 71 -9.712 7.029 1.153 1.00 0.00 O ATOM 951 CB TYR A 71 -11.393 7.863 -1.377 1.00 0.00 C ATOM 952 CG TYR A 71 -11.058 7.406 -2.782 1.00 0.00 C ATOM 953 CD1 TYR A 71 -11.321 6.098 -3.176 1.00 0.00 C ATOM 954 CD2 TYR A 71 -10.476 8.263 -3.705 1.00 0.00 C ATOM 955 CE1 TYR A 71 -11.017 5.655 -4.442 1.00 0.00 C ATOM 956 CE2 TYR A 71 -10.168 7.827 -4.982 1.00 0.00 C ATOM 957 CZ TYR A 71 -10.438 6.522 -5.345 1.00 0.00 C ATOM 958 OH TYR A 71 -10.134 6.088 -6.614 1.00 0.00 O ATOM 0 H TYR A 71 -13.534 6.758 -0.793 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.841 5.890 -0.790 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -12.344 8.395 -1.385 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.636 8.568 -1.034 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.774 5.415 -2.472 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.261 9.283 -3.423 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.230 4.635 -4.727 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -9.718 8.505 -5.692 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.733 6.823 -7.124 1.00 0.00 H new ATOM 968 N LYS A 72 -11.801 7.320 1.918 1.00 0.00 N ATOM 969 CA LYS A 72 -11.359 7.621 3.271 1.00 0.00 C ATOM 970 C LYS A 72 -10.919 6.326 3.941 1.00 0.00 C ATOM 971 O LYS A 72 -9.914 6.282 4.643 1.00 0.00 O ATOM 972 CB LYS A 72 -12.461 8.260 4.075 1.00 0.00 C ATOM 973 CG LYS A 72 -12.003 8.818 5.413 1.00 0.00 C ATOM 974 CD LYS A 72 -13.163 8.954 6.386 1.00 0.00 C ATOM 975 CE LYS A 72 -13.178 7.820 7.398 1.00 0.00 C ATOM 976 NZ LYS A 72 -14.174 8.055 8.481 1.00 0.00 N ATOM 0 H LYS A 72 -12.812 7.340 1.784 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.528 8.325 3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.905 9.065 3.489 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.245 7.523 4.249 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.243 8.164 5.840 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.537 9.792 5.262 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.091 9.908 6.908 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.103 8.963 5.834 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.408 6.883 6.890 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.186 7.710 7.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.699 7.177 8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.681 8.353 9.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.838 8.800 8.187 1.00 0.00 H new ATOM 990 N ALA A 73 -11.669 5.251 3.677 1.00 0.00 N ATOM 991 CA ALA A 73 -11.329 3.942 4.211 1.00 0.00 C ATOM 992 C ALA A 73 -9.975 3.567 3.649 1.00 0.00 C ATOM 993 O ALA A 73 -9.055 3.184 4.377 1.00 0.00 O ATOM 994 CB ALA A 73 -12.382 2.910 3.835 1.00 0.00 C ATOM 0 H ALA A 73 -12.510 5.268 3.099 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.295 3.971 5.300 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.104 1.940 4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.348 3.212 4.239 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.449 2.838 2.749 1.00 0.00 H new ATOM 1000 N ILE A 74 -9.846 3.769 2.340 1.00 0.00 N ATOM 1001 CA ILE A 74 -8.585 3.547 1.657 1.00 0.00 C ATOM 1002 C ILE A 74 -7.582 4.532 2.243 1.00 0.00 C ATOM 1003 O ILE A 74 -6.412 4.213 2.474 1.00 0.00 O ATOM 1004 CB ILE A 74 -8.749 3.760 0.134 1.00 0.00 C ATOM 1005 CG1 ILE A 74 -9.307 2.492 -0.505 1.00 0.00 C ATOM 1006 CG2 ILE A 74 -7.438 4.157 -0.533 1.00 0.00 C ATOM 1007 CD1 ILE A 74 -10.636 2.690 -1.191 1.00 0.00 C ATOM 0 H ILE A 74 -10.603 4.086 1.735 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.239 2.523 1.798 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.447 4.583 -0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.587 2.115 -1.231 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.416 1.727 0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.601 4.296 -1.602 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.075 5.088 -0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.698 3.372 -0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.968 1.745 -1.621 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -11.372 3.037 -0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -10.530 3.431 -1.983 1.00 0.00 H new ATOM 1011 N ASN A 75 -8.099 5.726 2.526 1.00 0.00 N ATOM 1012 CA ASN A 75 -7.345 6.796 3.136 1.00 0.00 C ATOM 1013 C ASN A 75 -6.791 6.325 4.476 1.00 0.00 C ATOM 1014 O ASN A 75 -5.664 6.648 4.852 1.00 0.00 O ATOM 1015 CB ASN A 75 -8.282 7.992 3.313 1.00 0.00 C ATOM 1016 CG ASN A 75 -7.585 9.311 3.133 1.00 0.00 C ATOM 1017 OD1 ASN A 75 -6.856 9.778 4.009 1.00 0.00 O ATOM 1018 ND2 ASN A 75 -7.812 9.921 1.982 1.00 0.00 N ATOM 0 H ASN A 75 -9.070 5.971 2.331 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.502 7.089 2.510 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.099 7.917 2.595 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.727 7.955 4.307 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.374 10.821 1.787 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.425 9.491 1.289 1.00 0.00 H new ATOM 1023 N GLU A 76 -7.601 5.538 5.175 1.00 0.00 N ATOM 1024 CA GLU A 76 -7.219 4.979 6.465 1.00 0.00 C ATOM 1025 C GLU A 76 -6.186 3.868 6.277 1.00 0.00 C ATOM 1026 O GLU A 76 -5.081 3.932 6.824 1.00 0.00 O ATOM 1027 CB GLU A 76 -8.457 4.437 7.187 1.00 0.00 C ATOM 1028 CG GLU A 76 -8.651 5.015 8.579 1.00 0.00 C ATOM 1029 CD GLU A 76 -9.931 4.535 9.234 1.00 0.00 C ATOM 1030 OE1 GLU A 76 -9.912 3.448 9.850 1.00 0.00 O ATOM 1031 OE2 GLU A 76 -10.953 5.246 9.133 1.00 0.00 O ATOM 0 H GLU A 76 -8.535 5.271 4.865 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.773 5.767 7.072 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.341 4.653 6.587 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.379 3.352 7.261 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.802 4.740 9.204 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.664 6.103 8.518 1.00 0.00 H new ATOM 1038 N VAL A 77 -6.548 2.851 5.488 1.00 0.00 N ATOM 1039 CA VAL A 77 -5.644 1.735 5.216 1.00 0.00 C ATOM 1040 C VAL A 77 -4.273 2.246 4.821 1.00 0.00 C ATOM 1041 O VAL A 77 -3.259 1.854 5.398 1.00 0.00 O ATOM 1042 CB VAL A 77 -6.161 0.832 4.083 1.00 0.00 C ATOM 1043 CG1 VAL A 77 -5.423 -0.499 4.082 1.00 0.00 C ATOM 1044 CG2 VAL A 77 -7.655 0.621 4.207 1.00 0.00 C ATOM 0 H VAL A 77 -7.457 2.780 5.030 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.587 1.153 6.136 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.968 1.328 3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.802 -1.125 3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.357 -0.324 3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.581 -1.003 5.035 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -8.000 -0.020 3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.878 0.148 5.164 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.164 1.583 4.151 1.00 0.00 H new ATOM 1048 N GLU A 78 -4.250 3.131 3.832 1.00 0.00 N ATOM 1049 CA GLU A 78 -3.001 3.701 3.364 1.00 0.00 C ATOM 1050 C GLU A 78 -2.259 4.356 4.520 1.00 0.00 C ATOM 1051 O GLU A 78 -1.028 4.358 4.564 1.00 0.00 O ATOM 1052 CB GLU A 78 -3.255 4.719 2.250 1.00 0.00 C ATOM 1053 CG GLU A 78 -2.222 4.668 1.137 1.00 0.00 C ATOM 1054 CD GLU A 78 -1.428 5.955 1.017 1.00 0.00 C ATOM 1055 OE1 GLU A 78 -1.953 6.924 0.429 1.00 0.00 O ATOM 1056 OE2 GLU A 78 -0.282 5.995 1.513 1.00 0.00 O ATOM 0 H GLU A 78 -5.080 3.466 3.343 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.385 2.898 2.959 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.244 4.543 1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.266 5.721 2.679 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.538 3.839 1.319 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.723 4.465 0.191 1.00 0.00 H new ATOM 1063 N GLU A 79 -3.022 4.895 5.466 1.00 0.00 N ATOM 1064 CA GLU A 79 -2.442 5.533 6.636 1.00 0.00 C ATOM 1065 C GLU A 79 -1.801 4.483 7.531 1.00 0.00 C ATOM 1066 O GLU A 79 -0.705 4.682 8.053 1.00 0.00 O ATOM 1067 CB GLU A 79 -3.509 6.313 7.408 1.00 0.00 C ATOM 1068 CG GLU A 79 -3.262 7.812 7.440 1.00 0.00 C ATOM 1069 CD GLU A 79 -4.185 8.577 6.513 1.00 0.00 C ATOM 1070 OE1 GLU A 79 -5.313 8.907 6.937 1.00 0.00 O ATOM 1071 OE2 GLU A 79 -3.782 8.847 5.363 1.00 0.00 O ATOM 0 H GLU A 79 -4.042 4.901 5.443 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.676 6.236 6.309 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.483 6.123 6.957 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.552 5.938 8.431 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.394 8.176 8.459 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.227 8.012 7.162 1.00 0.00 H new ATOM 1078 N LYS A 80 -2.483 3.350 7.687 1.00 0.00 N ATOM 1079 CA LYS A 80 -1.958 2.262 8.502 1.00 0.00 C ATOM 1080 C LYS A 80 -0.754 1.636 7.806 1.00 0.00 C ATOM 1081 O LYS A 80 0.281 1.388 8.427 1.00 0.00 O ATOM 1082 CB LYS A 80 -3.038 1.205 8.752 1.00 0.00 C ATOM 1083 CG LYS A 80 -3.298 0.938 10.225 1.00 0.00 C ATOM 1084 CD LYS A 80 -4.660 0.300 10.447 1.00 0.00 C ATOM 1085 CE LYS A 80 -5.664 1.300 10.995 1.00 0.00 C ATOM 1086 NZ LYS A 80 -5.787 1.209 12.476 1.00 0.00 N ATOM 0 H LYS A 80 -3.392 3.164 7.263 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.646 2.662 9.467 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.966 1.527 8.280 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.742 0.274 8.269 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.521 0.284 10.619 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.239 1.874 10.781 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.029 -0.108 9.506 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.562 -0.535 11.140 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.360 2.309 10.717 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.638 1.124 10.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.481 1.907 12.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.102 0.254 12.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.864 1.402 12.914 1.00 0.00 H new ATOM 1100 N LEU A 81 -0.899 1.397 6.506 1.00 0.00 N ATOM 1101 CA LEU A 81 0.174 0.814 5.709 1.00 0.00 C ATOM 1102 C LEU A 81 1.388 1.744 5.692 1.00 0.00 C ATOM 1103 O LEU A 81 2.523 1.299 5.879 1.00 0.00 O ATOM 1104 CB LEU A 81 -0.316 0.528 4.279 1.00 0.00 C ATOM 1105 CG LEU A 81 -0.093 -0.901 3.770 1.00 0.00 C ATOM 1106 CD1 LEU A 81 1.325 -1.060 3.245 1.00 0.00 C ATOM 1107 CD2 LEU A 81 -0.380 -1.924 4.862 1.00 0.00 C ATOM 0 H LEU A 81 -1.751 1.599 5.982 1.00 0.00 H new ATOM 0 HA LEU A 81 0.474 -0.131 6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.382 0.749 4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.184 1.218 3.599 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.790 -1.082 2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.468 -2.080 2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.490 -0.361 2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.035 -0.853 4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.214 -2.928 4.473 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.284 -1.748 5.709 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.416 -1.828 5.187 1.00 0.00 H new ATOM 1113 N GLU A 82 1.146 3.041 5.490 1.00 0.00 N ATOM 1114 CA GLU A 82 2.229 4.015 5.475 1.00 0.00 C ATOM 1115 C GLU A 82 2.830 4.143 6.865 1.00 0.00 C ATOM 1116 O GLU A 82 4.039 3.994 7.049 1.00 0.00 O ATOM 1117 CB GLU A 82 1.720 5.370 4.997 1.00 0.00 C ATOM 1118 CG GLU A 82 2.829 6.338 4.619 1.00 0.00 C ATOM 1119 CD GLU A 82 2.548 7.065 3.318 1.00 0.00 C ATOM 1120 OE1 GLU A 82 2.445 6.391 2.273 1.00 0.00 O ATOM 1121 OE2 GLU A 82 2.430 8.308 3.346 1.00 0.00 O ATOM 0 H GLU A 82 0.218 3.434 5.336 1.00 0.00 H new ATOM 0 HA GLU A 82 2.999 3.671 4.785 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.070 5.221 4.135 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.111 5.817 5.782 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.958 7.068 5.418 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.768 5.792 4.531 1.00 0.00 H new ATOM 1128 N ARG A 83 1.971 4.399 7.848 1.00 0.00 N ATOM 1129 CA ARG A 83 2.416 4.521 9.233 1.00 0.00 C ATOM 1130 C ARG A 83 3.287 3.323 9.593 1.00 0.00 C ATOM 1131 O ARG A 83 4.399 3.474 10.107 1.00 0.00 O ATOM 1132 CB ARG A 83 1.215 4.603 10.178 1.00 0.00 C ATOM 1133 CG ARG A 83 0.617 5.997 10.279 1.00 0.00 C ATOM 1134 CD ARG A 83 -0.742 5.971 10.960 1.00 0.00 C ATOM 1135 NE ARG A 83 -0.631 5.703 12.393 1.00 0.00 N ATOM 1136 CZ ARG A 83 -0.293 6.621 13.295 1.00 0.00 C ATOM 1137 NH1 ARG A 83 -0.030 7.866 12.919 1.00 0.00 N ATOM 1138 NH2 ARG A 83 -0.217 6.292 14.578 1.00 0.00 N ATOM 0 H ARG A 83 0.968 4.525 7.712 1.00 0.00 H new ATOM 0 HA ARG A 83 2.998 5.437 9.340 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.446 3.910 9.836 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.521 4.275 11.171 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.293 6.645 10.837 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.517 6.425 9.281 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.242 6.927 10.808 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.366 5.207 10.496 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.824 4.757 12.721 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.086 8.124 11.934 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.229 8.565 13.615 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.418 5.336 14.872 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.042 6.995 15.270 1.00 0.00 H new ATOM 1152 N GLN A 84 2.783 2.130 9.282 1.00 0.00 N ATOM 1153 CA GLN A 84 3.527 0.908 9.537 1.00 0.00 C ATOM 1154 C GLN A 84 4.850 0.962 8.784 1.00 0.00 C ATOM 1155 O GLN A 84 5.907 0.669 9.343 1.00 0.00 O ATOM 1156 CB GLN A 84 2.717 -0.316 9.109 1.00 0.00 C ATOM 1157 CG GLN A 84 1.594 -0.666 10.065 1.00 0.00 C ATOM 1158 CD GLN A 84 0.738 -1.812 9.565 1.00 0.00 C ATOM 1159 OE1 GLN A 84 1.235 -2.911 9.316 1.00 0.00 O ATOM 1160 NE2 GLN A 84 -0.558 -1.562 9.414 1.00 0.00 N ATOM 0 H GLN A 84 1.867 1.989 8.856 1.00 0.00 H new ATOM 0 HA GLN A 84 3.722 0.823 10.606 1.00 0.00 H new ATOM 0 HB2 GLN A 84 2.297 -0.135 8.119 1.00 0.00 H new ATOM 0 HB3 GLN A 84 3.387 -1.171 9.020 1.00 0.00 H new ATOM 0 HG2 GLN A 84 2.016 -0.929 11.035 1.00 0.00 H new ATOM 0 HG3 GLN A 84 0.966 0.212 10.218 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.928 -0.637 9.632 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.183 -2.295 9.080 1.00 0.00 H new ATOM 1167 N LEU A 85 4.787 1.386 7.517 1.00 0.00 N ATOM 1168 CA LEU A 85 5.988 1.526 6.699 1.00 0.00 C ATOM 1169 C LEU A 85 7.020 2.342 7.464 1.00 0.00 C ATOM 1170 O LEU A 85 8.144 1.891 7.712 1.00 0.00 O ATOM 1171 CB LEU A 85 5.655 2.225 5.376 1.00 0.00 C ATOM 1172 CG LEU A 85 5.742 1.352 4.123 1.00 0.00 C ATOM 1173 CD1 LEU A 85 4.652 1.745 3.134 1.00 0.00 C ATOM 1174 CD2 LEU A 85 7.122 1.467 3.481 1.00 0.00 C ATOM 0 H LEU A 85 3.920 1.636 7.041 1.00 0.00 H new ATOM 0 HA LEU A 85 6.388 0.536 6.478 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.645 2.630 5.445 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.330 3.072 5.254 1.00 0.00 H new ATOM 0 HG LEU A 85 5.590 0.312 4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.723 1.117 2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.675 1.609 3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.777 2.790 2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.163 0.838 2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.308 2.504 3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.882 1.141 4.191 1.00 0.00 H new ATOM 1180 N ASN A 86 6.609 3.545 7.864 1.00 0.00 N ATOM 1181 CA ASN A 86 7.471 4.428 8.630 1.00 0.00 C ATOM 1182 C ASN A 86 7.985 3.691 9.856 1.00 0.00 C ATOM 1183 O ASN A 86 9.144 3.836 10.239 1.00 0.00 O ATOM 1184 CB ASN A 86 6.712 5.695 9.038 1.00 0.00 C ATOM 1185 CG ASN A 86 7.629 6.892 9.202 1.00 0.00 C ATOM 1186 OD1 ASN A 86 8.847 6.778 9.062 1.00 0.00 O ATOM 1187 ND2 ASN A 86 7.048 8.047 9.501 1.00 0.00 N ATOM 0 H ASN A 86 5.683 3.925 7.667 1.00 0.00 H new ATOM 0 HA ASN A 86 8.319 4.728 8.014 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.956 5.920 8.286 1.00 0.00 H new ATOM 0 HB3 ASN A 86 6.185 5.514 9.975 1.00 0.00 H new ATOM 0 HD21 ASN A 86 7.615 8.886 9.624 1.00 0.00 H new ATOM 0 HD22 ASN A 86 6.035 8.096 9.608 1.00 0.00 H new ATOM 1192 N LYS A 87 7.124 2.864 10.442 1.00 0.00 N ATOM 1193 CA LYS A 87 7.512 2.069 11.598 1.00 0.00 C ATOM 1194 C LYS A 87 8.659 1.152 11.215 1.00 0.00 C ATOM 1195 O LYS A 87 9.636 1.019 11.949 1.00 0.00 O ATOM 1196 CB LYS A 87 6.338 1.228 12.096 1.00 0.00 C ATOM 1197 CG LYS A 87 5.971 1.491 13.548 1.00 0.00 C ATOM 1198 CD LYS A 87 4.685 0.779 13.934 1.00 0.00 C ATOM 1199 CE LYS A 87 4.398 0.917 15.420 1.00 0.00 C ATOM 1200 NZ LYS A 87 3.382 -0.069 15.883 1.00 0.00 N ATOM 0 H LYS A 87 6.160 2.729 10.137 1.00 0.00 H new ATOM 0 HA LYS A 87 7.821 2.743 12.396 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.469 1.426 11.469 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.582 0.172 11.978 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.782 1.157 14.196 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.857 2.563 13.707 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.854 1.191 13.362 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.760 -0.277 13.673 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.321 0.778 15.983 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.046 1.927 15.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.214 0.058 16.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.493 0.079 15.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.729 -1.034 15.707 1.00 0.00 H new ATOM 1214 N LEU A 88 8.535 0.525 10.048 1.00 0.00 N ATOM 1215 CA LEU A 88 9.572 -0.370 9.564 1.00 0.00 C ATOM 1216 C LEU A 88 10.870 0.398 9.389 1.00 0.00 C ATOM 1217 O LEU A 88 11.893 0.064 9.986 1.00 0.00 O ATOM 1218 CB LEU A 88 9.174 -1.010 8.229 1.00 0.00 C ATOM 1219 CG LEU A 88 7.738 -1.525 8.143 1.00 0.00 C ATOM 1220 CD1 LEU A 88 7.540 -2.328 6.866 1.00 0.00 C ATOM 1221 CD2 LEU A 88 7.401 -2.369 9.359 1.00 0.00 C ATOM 0 H LEU A 88 7.732 0.622 9.427 1.00 0.00 H new ATOM 0 HA LEU A 88 9.705 -1.163 10.299 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.326 -0.277 7.436 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.851 -1.841 8.029 1.00 0.00 H new ATOM 0 HG LEU A 88 7.064 -0.669 8.122 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.512 -2.688 6.818 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.743 -1.694 6.003 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.223 -3.177 6.861 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.374 -2.727 9.280 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.079 -3.221 9.410 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.507 -1.766 10.261 1.00 0.00 H new ATOM 1227 N GLN A 89 10.811 1.445 8.572 1.00 0.00 N ATOM 1228 CA GLN A 89 11.981 2.283 8.325 1.00 0.00 C ATOM 1229 C GLN A 89 12.499 2.873 9.635 1.00 0.00 C ATOM 1230 O GLN A 89 13.680 3.199 9.759 1.00 0.00 O ATOM 1231 CB GLN A 89 11.643 3.405 7.339 1.00 0.00 C ATOM 1232 CG GLN A 89 11.891 3.039 5.886 1.00 0.00 C ATOM 1233 CD GLN A 89 10.775 2.216 5.292 1.00 0.00 C ATOM 1234 OE1 GLN A 89 9.881 1.753 5.999 1.00 0.00 O ATOM 1235 NE2 GLN A 89 10.825 2.028 3.985 1.00 0.00 N ATOM 0 H GLN A 89 9.970 1.733 8.072 1.00 0.00 H new ATOM 0 HA GLN A 89 12.761 1.660 7.887 1.00 0.00 H new ATOM 0 HB2 GLN A 89 10.595 3.680 7.461 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.235 4.286 7.588 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.014 3.951 5.302 1.00 0.00 H new ATOM 0 HG3 GLN A 89 12.826 2.484 5.810 1.00 0.00 H new ATOM 0 HE21 GLN A 89 11.587 2.432 3.440 1.00 0.00 H new ATOM 0 HE22 GLN A 89 10.102 1.479 3.521 1.00 0.00 H new ATOM 1242 N HIS A 90 11.603 3.000 10.612 1.00 0.00 N ATOM 1243 CA HIS A 90 11.957 3.540 11.919 1.00 0.00 C ATOM 1244 C HIS A 90 12.642 2.484 12.770 1.00 0.00 C ATOM 1245 O HIS A 90 13.776 2.661 13.214 1.00 0.00 O ATOM 1246 CB HIS A 90 10.702 4.025 12.645 1.00 0.00 C ATOM 1247 CG HIS A 90 10.207 5.359 12.176 1.00 0.00 C ATOM 1248 ND1 HIS A 90 11.031 6.314 11.617 1.00 0.00 N ATOM 1249 CD2 HIS A 90 8.964 5.897 12.186 1.00 0.00 C ATOM 1250 CE1 HIS A 90 10.316 7.381 11.306 1.00 0.00 C ATOM 1251 NE2 HIS A 90 9.060 7.153 11.640 1.00 0.00 N ATOM 0 H HIS A 90 10.623 2.734 10.520 1.00 0.00 H new ATOM 0 HA HIS A 90 12.641 4.375 11.765 1.00 0.00 H new ATOM 0 HB2 HIS A 90 9.910 3.288 12.513 1.00 0.00 H new ATOM 0 HB3 HIS A 90 10.911 4.081 13.713 1.00 0.00 H new ATOM 0 HD1 HIS A 90 12.035 6.212 11.467 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.065 5.426 12.555 1.00 0.00 H new ATOM 0 HE1 HIS A 90 10.695 8.286 10.855 1.00 0.00 H new ATOM 1260 N LYS A 91 11.930 1.388 13.003 1.00 0.00 N ATOM 1261 CA LYS A 91 12.443 0.296 13.812 1.00 0.00 C ATOM 1262 C LYS A 91 13.787 -0.201 13.284 1.00 0.00 C ATOM 1263 O LYS A 91 14.613 -0.709 14.041 1.00 0.00 O ATOM 1264 CB LYS A 91 11.434 -0.855 13.849 1.00 0.00 C ATOM 1265 CG LYS A 91 10.903 -1.152 15.242 1.00 0.00 C ATOM 1266 CD LYS A 91 9.439 -1.561 15.205 1.00 0.00 C ATOM 1267 CE LYS A 91 8.921 -1.901 16.593 1.00 0.00 C ATOM 1268 NZ LYS A 91 7.441 -2.065 16.610 1.00 0.00 N ATOM 0 H LYS A 91 10.990 1.234 12.639 1.00 0.00 H new ATOM 0 HA LYS A 91 12.595 0.671 14.824 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.597 -0.615 13.193 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.905 -1.753 13.449 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.493 -1.949 15.695 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.020 -0.271 15.873 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.844 -0.751 14.782 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.317 -2.423 14.549 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.392 -2.820 16.941 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.207 -1.113 17.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.044 -1.550 17.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.039 -1.685 15.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.204 -3.074 16.691 1.00 0.00 H new ATOM 1282 N SER A 92 13.998 -0.052 11.978 1.00 0.00 N ATOM 1283 CA SER A 92 15.239 -0.488 11.345 1.00 0.00 C ATOM 1284 C SER A 92 15.315 -2.011 11.289 1.00 0.00 C ATOM 1285 O SER A 92 15.306 -2.604 10.211 1.00 0.00 O ATOM 1286 CB SER A 92 16.451 0.069 12.095 1.00 0.00 C ATOM 1287 OG SER A 92 16.195 1.377 12.578 1.00 0.00 O ATOM 0 H SER A 92 13.324 0.368 11.338 1.00 0.00 H new ATOM 0 HA SER A 92 15.249 -0.103 10.325 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.700 -0.588 12.929 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.316 0.085 11.433 1.00 0.00 H new ATOM 0 HG SER A 92 16.984 1.710 13.055 1.00 0.00 H new ATOM 1293 N GLU A 93 15.389 -2.638 12.459 1.00 0.00 N ATOM 1294 CA GLU A 93 15.465 -4.093 12.542 1.00 0.00 C ATOM 1295 C GLU A 93 14.070 -4.705 12.607 1.00 0.00 C ATOM 1296 O GLU A 93 13.749 -5.625 11.854 1.00 0.00 O ATOM 1297 CB GLU A 93 16.279 -4.513 13.767 1.00 0.00 C ATOM 1298 CG GLU A 93 16.633 -5.992 13.783 1.00 0.00 C ATOM 1299 CD GLU A 93 17.696 -6.325 14.811 1.00 0.00 C ATOM 1300 OE1 GLU A 93 17.364 -6.379 16.014 1.00 0.00 O ATOM 1301 OE2 GLU A 93 18.863 -6.532 14.414 1.00 0.00 O ATOM 0 H GLU A 93 15.398 -2.163 13.361 1.00 0.00 H new ATOM 0 HA GLU A 93 15.962 -4.460 11.644 1.00 0.00 H new ATOM 0 HB2 GLU A 93 17.198 -3.927 13.801 1.00 0.00 H new ATOM 0 HB3 GLU A 93 15.715 -4.273 14.668 1.00 0.00 H new ATOM 0 HG2 GLU A 93 15.736 -6.574 13.992 1.00 0.00 H new ATOM 0 HG3 GLU A 93 16.983 -6.289 12.794 1.00 0.00 H new ATOM 1308 N SER A 94 13.245 -4.191 13.513 1.00 0.00 N ATOM 1309 CA SER A 94 11.883 -4.685 13.677 1.00 0.00 C ATOM 1310 C SER A 94 11.882 -6.156 14.083 1.00 0.00 C ATOM 1311 O SER A 94 12.058 -7.042 13.246 1.00 0.00 O ATOM 1312 CB SER A 94 11.091 -4.503 12.381 1.00 0.00 C ATOM 1313 OG SER A 94 9.772 -5.003 12.514 1.00 0.00 O ATOM 0 H SER A 94 13.496 -3.431 14.146 1.00 0.00 H new ATOM 0 HA SER A 94 11.408 -4.107 14.470 1.00 0.00 H new ATOM 0 HB2 SER A 94 11.057 -3.446 12.117 1.00 0.00 H new ATOM 0 HB3 SER A 94 11.598 -5.019 11.566 1.00 0.00 H new ATOM 0 HG SER A 94 9.287 -4.873 11.673 1.00 0.00 H new ATOM 1319 N ARG A 95 11.682 -6.409 15.372 1.00 0.00 N ATOM 1320 CA ARG A 95 11.658 -7.772 15.889 1.00 0.00 C ATOM 1321 C ARG A 95 10.654 -7.903 17.029 1.00 0.00 C ATOM 1322 O ARG A 95 10.651 -7.101 17.962 1.00 0.00 O ATOM 1323 CB ARG A 95 13.050 -8.185 16.370 1.00 0.00 C ATOM 1324 CG ARG A 95 13.349 -9.662 16.172 1.00 0.00 C ATOM 1325 CD ARG A 95 13.777 -9.957 14.745 1.00 0.00 C ATOM 1326 NE ARG A 95 13.584 -11.363 14.395 1.00 0.00 N ATOM 1327 CZ ARG A 95 13.551 -11.818 13.144 1.00 0.00 C ATOM 1328 NH1 ARG A 95 13.698 -10.983 12.123 1.00 0.00 N ATOM 1329 NH2 ARG A 95 13.371 -13.112 12.914 1.00 0.00 N ATOM 0 H ARG A 95 11.534 -5.688 16.078 1.00 0.00 H new ATOM 0 HA ARG A 95 11.351 -8.434 15.079 1.00 0.00 H new ATOM 0 HB2 ARG A 95 13.798 -7.597 15.838 1.00 0.00 H new ATOM 0 HB3 ARG A 95 13.147 -7.942 17.428 1.00 0.00 H new ATOM 0 HG2 ARG A 95 14.136 -9.970 16.860 1.00 0.00 H new ATOM 0 HG3 ARG A 95 12.464 -10.249 16.416 1.00 0.00 H new ATOM 0 HD2 ARG A 95 13.207 -9.331 14.059 1.00 0.00 H new ATOM 0 HD3 ARG A 95 14.827 -9.693 14.620 1.00 0.00 H new ATOM 0 HE ARG A 95 13.468 -12.035 15.154 1.00 0.00 H new ATOM 0 HH11 ARG A 95 13.837 -9.987 12.295 1.00 0.00 H new ATOM 0 HH12 ARG A 95 13.672 -11.337 11.167 1.00 0.00 H new ATOM 0 HH21 ARG A 95 13.258 -13.758 13.695 1.00 0.00 H new ATOM 0 HH22 ARG A 95 13.346 -13.461 11.956 1.00 0.00 H new ATOM 1343 N ARG A 96 9.802 -8.920 16.947 1.00 0.00 N ATOM 1344 CA ARG A 96 8.792 -9.157 17.973 1.00 0.00 C ATOM 1345 C ARG A 96 8.294 -10.598 17.923 1.00 0.00 C ATOM 1346 O ARG A 96 7.133 -10.875 18.221 1.00 0.00 O ATOM 1347 CB ARG A 96 7.619 -8.189 17.796 1.00 0.00 C ATOM 1348 CG ARG A 96 7.254 -7.439 19.067 1.00 0.00 C ATOM 1349 CD ARG A 96 7.102 -5.947 18.813 1.00 0.00 C ATOM 1350 NE ARG A 96 6.132 -5.334 19.716 1.00 0.00 N ATOM 1351 CZ ARG A 96 6.061 -4.025 19.950 1.00 0.00 C ATOM 1352 NH1 ARG A 96 6.902 -3.191 19.351 1.00 0.00 N ATOM 1353 NH2 ARG A 96 5.147 -3.549 20.784 1.00 0.00 N ATOM 0 H ARG A 96 9.791 -9.593 16.181 1.00 0.00 H new ATOM 0 HA ARG A 96 9.250 -8.985 18.947 1.00 0.00 H new ATOM 0 HB2 ARG A 96 7.868 -7.468 17.017 1.00 0.00 H new ATOM 0 HB3 ARG A 96 6.748 -8.745 17.449 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.323 -7.837 19.470 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.024 -7.604 19.821 1.00 0.00 H new ATOM 0 HD2 ARG A 96 8.069 -5.458 18.934 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.790 -5.785 17.781 1.00 0.00 H new ATOM 0 HE ARG A 96 5.470 -5.944 20.196 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.607 -3.552 18.708 1.00 0.00 H new ATOM 0 HH12 ARG A 96 6.843 -2.189 19.534 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.498 -4.185 21.247 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.093 -2.546 20.963 1.00 0.00 H new ATOM 1367 N ALA A 97 9.181 -11.512 17.543 1.00 0.00 N ATOM 1368 CA ALA A 97 8.833 -12.925 17.452 1.00 0.00 C ATOM 1369 C ALA A 97 9.047 -13.630 18.787 1.00 0.00 C ATOM 1370 O ALA A 97 10.171 -13.715 19.282 1.00 0.00 O ATOM 1371 CB ALA A 97 9.647 -13.600 16.360 1.00 0.00 C ATOM 0 H ALA A 97 10.147 -11.299 17.293 1.00 0.00 H new ATOM 0 HA ALA A 97 7.775 -12.997 17.198 1.00 0.00 H new ATOM 0 HB1 ALA A 97 9.377 -14.654 16.304 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.440 -13.121 15.403 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.709 -13.510 16.589 1.00 0.00 H new ATOM 1377 N ASP A 98 7.961 -14.134 19.365 1.00 0.00 N ATOM 1378 CA ASP A 98 8.030 -14.832 20.643 1.00 0.00 C ATOM 1379 C ASP A 98 8.565 -13.913 21.737 1.00 0.00 C ATOM 1380 O ASP A 98 8.832 -12.735 21.496 1.00 0.00 O ATOM 1381 CB ASP A 98 8.917 -16.072 20.524 1.00 0.00 C ATOM 1382 CG ASP A 98 8.389 -17.065 19.506 1.00 0.00 C ATOM 1383 OD1 ASP A 98 7.239 -17.523 19.667 1.00 0.00 O ATOM 1384 OD2 ASP A 98 9.126 -17.383 18.549 1.00 0.00 O ATOM 0 H ASP A 98 7.023 -14.072 18.968 1.00 0.00 H new ATOM 0 HA ASP A 98 7.021 -15.141 20.914 1.00 0.00 H new ATOM 0 HB2 ASP A 98 9.925 -15.768 20.242 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.990 -16.558 21.497 1.00 0.00 H new ATOM 1389 N GLU A 99 8.719 -14.458 22.938 1.00 0.00 N ATOM 1390 CA GLU A 99 9.223 -13.686 24.069 1.00 0.00 C ATOM 1391 C GLU A 99 9.931 -14.589 25.074 1.00 0.00 C ATOM 1392 O GLU A 99 9.930 -14.319 26.275 1.00 0.00 O ATOM 1393 CB GLU A 99 8.076 -12.936 24.751 1.00 0.00 C ATOM 1394 CG GLU A 99 8.192 -11.424 24.649 1.00 0.00 C ATOM 1395 CD GLU A 99 7.447 -10.706 25.757 1.00 0.00 C ATOM 1396 OE1 GLU A 99 6.207 -10.838 25.821 1.00 0.00 O ATOM 1397 OE2 GLU A 99 8.105 -10.013 26.562 1.00 0.00 O ATOM 0 H GLU A 99 8.502 -15.431 23.154 1.00 0.00 H new ATOM 0 HA GLU A 99 9.946 -12.963 23.692 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.132 -13.250 24.306 1.00 0.00 H new ATOM 0 HB3 GLU A 99 8.042 -13.219 25.803 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.244 -11.141 24.681 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.803 -11.098 23.684 1.00 0.00 H new ATOM 1404 N ARG A 100 10.535 -15.662 24.575 1.00 0.00 N ATOM 1405 CA ARG A 100 11.249 -16.605 25.431 1.00 0.00 C ATOM 1406 C ARG A 100 12.737 -16.619 25.103 1.00 0.00 C ATOM 1407 O ARG A 100 13.130 -16.489 23.943 1.00 0.00 O ATOM 1408 CB ARG A 100 10.666 -18.011 25.271 1.00 0.00 C ATOM 1409 CG ARG A 100 11.311 -19.043 26.183 1.00 0.00 C ATOM 1410 CD ARG A 100 10.617 -19.108 27.534 1.00 0.00 C ATOM 1411 NE ARG A 100 9.984 -20.406 27.762 1.00 0.00 N ATOM 1412 CZ ARG A 100 9.597 -20.842 28.958 1.00 0.00 C ATOM 1413 NH1 ARG A 100 9.775 -20.089 30.037 1.00 0.00 N ATOM 1414 NH2 ARG A 100 9.031 -22.035 29.078 1.00 0.00 N ATOM 0 H ARG A 100 10.545 -15.901 23.583 1.00 0.00 H new ATOM 0 HA ARG A 100 11.127 -16.283 26.465 1.00 0.00 H new ATOM 0 HB2 ARG A 100 9.596 -17.977 25.474 1.00 0.00 H new ATOM 0 HB3 ARG A 100 10.784 -18.329 24.235 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.275 -20.023 25.707 1.00 0.00 H new ATOM 0 HG3 ARG A 100 12.363 -18.797 26.325 1.00 0.00 H new ATOM 0 HD2 ARG A 100 11.343 -18.915 28.324 1.00 0.00 H new ATOM 0 HD3 ARG A 100 9.864 -18.322 27.593 1.00 0.00 H new ATOM 0 HE ARG A 100 9.830 -21.013 26.957 1.00 0.00 H new ATOM 0 HH11 ARG A 100 10.211 -19.171 29.952 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.476 -20.429 30.951 1.00 0.00 H new ATOM 0 HH21 ARG A 100 8.892 -22.619 28.253 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.734 -22.369 29.995 1.00 0.00 H new ATOM 1428 N LEU A 101 13.563 -16.777 26.132 1.00 0.00 N ATOM 1429 CA LEU A 101 15.009 -16.808 25.954 1.00 0.00 C ATOM 1430 C LEU A 101 15.474 -18.191 25.510 1.00 0.00 C ATOM 1431 O LEU A 101 16.212 -18.327 24.535 1.00 0.00 O ATOM 1432 CB LEU A 101 15.714 -16.414 27.254 1.00 0.00 C ATOM 1433 CG LEU A 101 17.011 -15.622 27.073 1.00 0.00 C ATOM 1434 CD1 LEU A 101 16.753 -14.132 27.237 1.00 0.00 C ATOM 1435 CD2 LEU A 101 18.067 -16.094 28.063 1.00 0.00 C ATOM 0 H LEU A 101 13.255 -16.886 27.098 1.00 0.00 H new ATOM 0 HA LEU A 101 15.268 -16.090 25.176 1.00 0.00 H new ATOM 0 HB2 LEU A 101 15.026 -15.822 27.858 1.00 0.00 H new ATOM 0 HB3 LEU A 101 15.935 -17.320 27.819 1.00 0.00 H new ATOM 0 HG LEU A 101 17.384 -15.797 26.064 1.00 0.00 H new ATOM 0 HD11 LEU A 101 17.686 -13.584 27.105 1.00 0.00 H new ATOM 0 HD12 LEU A 101 16.031 -13.803 26.490 1.00 0.00 H new ATOM 0 HD13 LEU A 101 16.357 -13.939 28.234 1.00 0.00 H new ATOM 0 HD21 LEU A 101 18.982 -15.520 27.920 1.00 0.00 H new ATOM 0 HD22 LEU A 101 17.703 -15.949 29.080 1.00 0.00 H new ATOM 0 HD23 LEU A 101 18.273 -17.152 27.899 1.00 0.00 H new ATOM 1441 N LYS A 102 15.036 -19.216 26.233 1.00 0.00 N ATOM 1442 CA LYS A 102 15.405 -20.590 25.915 1.00 0.00 C ATOM 1443 C LYS A 102 14.337 -21.567 26.399 1.00 0.00 C ATOM 1444 O LYS A 102 13.280 -21.158 26.881 1.00 0.00 O ATOM 1445 CB LYS A 102 16.757 -20.936 26.546 1.00 0.00 C ATOM 1446 CG LYS A 102 17.899 -20.985 25.544 1.00 0.00 C ATOM 1447 CD LYS A 102 18.201 -22.411 25.114 1.00 0.00 C ATOM 1448 CE LYS A 102 19.416 -22.473 24.202 1.00 0.00 C ATOM 1449 NZ LYS A 102 19.028 -22.560 22.766 1.00 0.00 N ATOM 0 H LYS A 102 14.425 -19.121 27.044 1.00 0.00 H new ATOM 0 HA LYS A 102 15.485 -20.677 24.831 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.990 -20.199 27.314 1.00 0.00 H new ATOM 0 HB3 LYS A 102 16.680 -21.902 27.044 1.00 0.00 H new ATOM 0 HG2 LYS A 102 17.643 -20.387 24.670 1.00 0.00 H new ATOM 0 HG3 LYS A 102 18.791 -20.540 25.985 1.00 0.00 H new ATOM 0 HD2 LYS A 102 18.374 -23.029 25.995 1.00 0.00 H new ATOM 0 HD3 LYS A 102 17.336 -22.827 24.598 1.00 0.00 H new ATOM 0 HE2 LYS A 102 20.033 -21.588 24.359 1.00 0.00 H new ATOM 0 HE3 LYS A 102 20.025 -23.337 24.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 19.884 -22.600 22.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 18.460 -23.418 22.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 18.468 -21.723 22.506 1.00 0.00 H new ATOM 1463 N ASP A 103 14.621 -22.858 26.269 1.00 0.00 N ATOM 1464 CA ASP A 103 13.686 -23.893 26.694 1.00 0.00 C ATOM 1465 C ASP A 103 12.374 -23.791 25.922 1.00 0.00 C ATOM 1466 O ASP A 103 11.616 -22.836 26.091 1.00 0.00 O ATOM 1467 CB ASP A 103 13.418 -23.783 28.196 1.00 0.00 C ATOM 1468 CG ASP A 103 14.348 -24.657 29.014 1.00 0.00 C ATOM 1469 OD1 ASP A 103 14.689 -25.763 28.546 1.00 0.00 O ATOM 1470 OD2 ASP A 103 14.735 -24.235 30.125 1.00 0.00 O ATOM 0 H ASP A 103 15.491 -23.213 25.873 1.00 0.00 H new ATOM 0 HA ASP A 103 14.136 -24.863 26.483 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.532 -22.745 28.508 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.385 -24.066 28.400 1.00 0.00 H new ATOM 1475 N SER A 104 12.112 -24.781 25.076 1.00 0.00 N ATOM 1476 CA SER A 104 10.892 -24.803 24.278 1.00 0.00 C ATOM 1477 C SER A 104 10.064 -26.047 24.584 1.00 0.00 C ATOM 1478 O SER A 104 10.497 -26.925 25.332 1.00 0.00 O ATOM 1479 CB SER A 104 11.231 -24.756 22.787 1.00 0.00 C ATOM 1480 OG SER A 104 10.210 -24.104 22.052 1.00 0.00 O ATOM 0 H SER A 104 12.729 -25.579 24.925 1.00 0.00 H new ATOM 0 HA SER A 104 10.303 -23.923 24.537 1.00 0.00 H new ATOM 0 HB2 SER A 104 12.177 -24.234 22.642 1.00 0.00 H new ATOM 0 HB3 SER A 104 11.365 -25.770 22.409 1.00 0.00 H new ATOM 0 HG SER A 104 10.451 -24.086 21.102 1.00 0.00 H new ATOM 1486 N PHE A 105 8.870 -26.117 24.002 1.00 0.00 N ATOM 1487 CA PHE A 105 7.982 -27.254 24.213 1.00 0.00 C ATOM 1488 C PHE A 105 7.785 -28.037 22.919 1.00 0.00 C ATOM 1489 O PHE A 105 8.340 -27.685 21.878 1.00 0.00 O ATOM 1490 CB PHE A 105 6.630 -26.778 24.748 1.00 0.00 C ATOM 1491 CG PHE A 105 6.742 -25.863 25.934 1.00 0.00 C ATOM 1492 CD1 PHE A 105 6.793 -26.379 27.220 1.00 0.00 C ATOM 1493 CD2 PHE A 105 6.798 -24.490 25.764 1.00 0.00 C ATOM 1494 CE1 PHE A 105 6.898 -25.541 28.313 1.00 0.00 C ATOM 1495 CE2 PHE A 105 6.902 -23.646 26.854 1.00 0.00 C ATOM 1496 CZ PHE A 105 6.952 -24.173 28.130 1.00 0.00 C ATOM 0 H PHE A 105 8.496 -25.400 23.381 1.00 0.00 H new ATOM 0 HA PHE A 105 8.443 -27.914 24.948 1.00 0.00 H new ATOM 0 HB2 PHE A 105 6.094 -26.262 23.951 1.00 0.00 H new ATOM 0 HB3 PHE A 105 6.032 -27.646 25.024 1.00 0.00 H new ATOM 0 HD1 PHE A 105 6.750 -27.448 27.369 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.760 -24.074 24.768 1.00 0.00 H new ATOM 0 HE1 PHE A 105 6.938 -25.955 29.310 1.00 0.00 H new ATOM 0 HE2 PHE A 105 6.944 -22.577 26.708 1.00 0.00 H new ATOM 0 HZ PHE A 105 7.033 -23.516 28.983 1.00 0.00 H new ATOM 1506 N GLU A 106 6.991 -29.101 22.992 1.00 0.00 N ATOM 1507 CA GLU A 106 6.721 -29.934 21.826 1.00 0.00 C ATOM 1508 C GLU A 106 5.466 -29.463 21.098 1.00 0.00 C ATOM 1509 O GLU A 106 5.514 -29.116 19.918 1.00 0.00 O ATOM 1510 CB GLU A 106 6.564 -31.396 22.244 1.00 0.00 C ATOM 1511 CG GLU A 106 7.830 -31.999 22.833 1.00 0.00 C ATOM 1512 CD GLU A 106 7.827 -31.994 24.349 1.00 0.00 C ATOM 1513 OE1 GLU A 106 7.435 -30.965 24.938 1.00 0.00 O ATOM 1514 OE2 GLU A 106 8.219 -33.018 24.948 1.00 0.00 O ATOM 0 H GLU A 106 6.524 -29.406 23.846 1.00 0.00 H new ATOM 0 HA GLU A 106 7.567 -29.847 21.145 1.00 0.00 H new ATOM 0 HB2 GLU A 106 5.760 -31.472 22.977 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.261 -31.983 21.377 1.00 0.00 H new ATOM 0 HG2 GLU A 106 7.940 -33.023 22.477 1.00 0.00 H new ATOM 0 HG3 GLU A 106 8.695 -31.442 22.473 1.00 0.00 H new ATOM 1521 N ASN A 107 4.344 -29.453 21.809 1.00 0.00 N ATOM 1522 CA ASN A 107 3.076 -29.025 21.230 1.00 0.00 C ATOM 1523 C ASN A 107 3.119 -27.545 20.861 1.00 0.00 C ATOM 1524 O ASN A 107 2.768 -27.172 19.744 1.00 99.99 O ATOM 1525 CB ASN A 107 1.930 -29.284 22.209 1.00 0.00 C ATOM 1526 CG ASN A 107 0.611 -29.533 21.504 1.00 0.00 C ATOM 1527 OD1 ASN A 107 0.560 -29.640 20.279 1.00 0.00 O ATOM 1528 ND2 ASN A 107 -0.465 -29.626 22.277 1.00 0.00 N ATOM 0 H ASN A 107 4.287 -29.736 22.787 1.00 0.00 H new ATOM 0 HA ASN A 107 2.907 -29.604 20.322 1.00 0.00 H new ATOM 0 HB2 ASN A 107 2.175 -30.145 22.830 1.00 0.00 H new ATOM 0 HB3 ASN A 107 1.826 -28.429 22.877 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -1.380 -29.793 21.859 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -0.376 -29.531 23.289 1.00 0.00 H new TER 1533 ASN A 107