USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 972 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 59 THR OG1 : rot 110:sc= 0.839 USER MOD Set 1.2: A 93 LYS NZ :NH3+ 164:sc= 0.974 (180deg=0) USER MOD Set 2.1: A 9 ASN : amide:sc= 1.02 K(o=2.3,f=-6.4!) USER MOD Set 2.2: A 14 LYS NZ :NH3+ -143:sc= 1.25 (180deg=0) USER MOD Single : A 1 MET CE :methyl -170:sc= 0 (180deg=-0.087) USER MOD Single : A 1 MET N :NH3+ -137:sc= 1.45 (180deg=0.256) USER MOD Single : A 3 LYS NZ :NH3+ -128:sc= 0.47 (180deg=0.313) USER MOD Single : A 5 TYR OH : rot -23:sc= 0.0162 USER MOD Single : A 6 GLN : amide:sc= -0.107 K(o=-0.11,f=-0.64) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 65:sc= -0.0389! USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0222 USER MOD Single : A 13 CYS SG : rot 120:sc= -2.34! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 36 THR OG1 : rot -39:sc= 0.62 USER MOD Single : A 38 THR OG1 : rot 71:sc= -1.52! USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 43 LYS NZ :NH3+ 168:sc= 0.981 (180deg=0.872) USER MOD Single : A 44 THR OG1 : rot 83:sc= 1.25 USER MOD Single : A 48 ASN :FLIP amide:sc= -0.0183 F(o=-1.5,f=-0.018) USER MOD Single : A 49 THR OG1 : rot -77:sc= 1.14 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -127:sc= 0.725 (180deg=-0.764) USER MOD Single : A 58 ASN : amide:sc= 0.16 X(o=0.16,f=-0.26) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -160:sc= 0.729 (180deg=0.498) USER MOD Single : A 64 TYR OH : rot 165:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 144:sc= -0.297 (180deg=-1.54!) USER MOD Single : A 74 GLN : amide:sc= -0.0236 K(o=-0.024,f=-1.1) USER MOD Single : A 75 THR OG1 : rot -19:sc= 0.342 USER MOD Single : A 77 SER OG : rot 180:sc= 0.00551 USER MOD Single : A 81 LYS NZ :NH3+ 159:sc= 0.57 (180deg=-0.321) USER MOD Single : A 86 SER OG : rot 80:sc= 1.04 USER MOD Single : A 87 SER OG : rot 73:sc= 1.15 USER MOD Single : A 90 MET CE :methyl -126:sc= -2.14 (180deg=-4.15!) USER MOD Single : A 99 MET CE :methyl -110:sc= -0.989 (180deg=-2.47!) USER MOD Single : A 102 LYS NZ :NH3+ 136:sc= 0.517 (180deg=0.291) USER MOD Single : A 104 THR OG1 : rot -82:sc= 0.0953 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.0444 X(o=-0.044,f=-0.031) USER MOD Single : A 112 TYR OH : rot 83:sc= 0.464 USER MOD Single : A 113 LYS NZ :NH3+ 158:sc= 0.997 (180deg=0.695) USER MOD Single : A 115 THR OG1 : rot 87:sc= 0.522 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.155 0.277 1.132 1.00 0.00 N ATOM 2 CA MET A 1 2.376 0.036 -0.320 1.00 0.00 C ATOM 3 C MET A 1 3.523 -0.982 -0.509 1.00 0.00 C ATOM 4 O MET A 1 3.906 -1.641 0.462 1.00 0.00 O ATOM 5 CB MET A 1 2.664 1.375 -1.059 1.00 0.00 C ATOM 6 CG MET A 1 3.923 2.125 -0.599 1.00 0.00 C ATOM 7 SD MET A 1 3.766 2.867 1.041 1.00 0.00 S ATOM 8 CE MET A 1 2.665 4.251 0.722 1.00 0.00 C ATOM 0 H1 MET A 1 1.134 0.292 1.330 1.00 0.00 H new ATOM 0 H2 MET A 1 2.603 -0.483 1.682 1.00 0.00 H new ATOM 0 H3 MET A 1 2.573 1.191 1.400 1.00 0.00 H new ATOM 0 HA MET A 1 1.472 -0.386 -0.759 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.754 1.169 -2.126 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.804 2.032 -0.932 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.766 1.434 -0.597 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.154 2.908 -1.322 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.625 4.894 1.601 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.036 4.822 -0.129 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.665 3.877 0.500 1.00 0.00 H new ATOM 18 N ILE A 2 4.031 -1.127 -1.766 1.00 0.00 N ATOM 19 CA ILE A 2 5.178 -2.017 -2.106 1.00 0.00 C ATOM 20 C ILE A 2 6.339 -1.856 -1.097 1.00 0.00 C ATOM 21 O ILE A 2 7.031 -0.841 -1.100 1.00 0.00 O ATOM 22 CB ILE A 2 5.694 -1.723 -3.573 1.00 0.00 C ATOM 23 CG1 ILE A 2 4.563 -2.014 -4.615 1.00 0.00 C ATOM 24 CG2 ILE A 2 6.990 -2.511 -3.907 1.00 0.00 C ATOM 25 CD1 ILE A 2 4.878 -1.623 -6.051 1.00 0.00 C ATOM 0 H ILE A 2 3.655 -0.629 -2.573 1.00 0.00 H new ATOM 0 HA ILE A 2 4.821 -3.046 -2.052 1.00 0.00 H new ATOM 0 HB ILE A 2 5.952 -0.665 -3.628 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.335 -3.079 -4.589 1.00 0.00 H new ATOM 0 HG13 ILE A 2 3.661 -1.487 -4.303 1.00 0.00 H new ATOM 0 HG21 ILE A 2 7.306 -2.277 -4.924 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.778 -2.229 -3.208 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.797 -3.581 -3.824 1.00 0.00 H new ATOM 0 HD11 ILE A 2 4.029 -1.867 -6.689 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.074 -0.552 -6.102 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.757 -2.169 -6.392 1.00 0.00 H new ATOM 37 N LYS A 3 6.507 -2.873 -0.238 1.00 0.00 N ATOM 38 CA LYS A 3 7.502 -2.883 0.854 1.00 0.00 C ATOM 39 C LYS A 3 8.932 -2.909 0.300 1.00 0.00 C ATOM 40 O LYS A 3 9.516 -3.978 0.091 1.00 0.00 O ATOM 41 CB LYS A 3 7.260 -4.101 1.788 1.00 0.00 C ATOM 42 CG LYS A 3 5.811 -4.253 2.264 1.00 0.00 C ATOM 43 CD LYS A 3 5.334 -3.084 3.153 1.00 0.00 C ATOM 44 CE LYS A 3 3.830 -3.151 3.444 1.00 0.00 C ATOM 45 NZ LYS A 3 3.393 -2.067 4.347 1.00 0.00 N ATOM 0 H LYS A 3 5.949 -3.726 -0.280 1.00 0.00 H new ATOM 0 HA LYS A 3 7.383 -1.966 1.431 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.555 -5.010 1.264 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.909 -4.010 2.659 1.00 0.00 H new ATOM 0 HG2 LYS A 3 5.157 -4.330 1.396 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.714 -5.186 2.820 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.885 -3.097 4.093 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.565 -2.139 2.662 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.276 -3.088 2.507 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.590 -4.115 3.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.862 -2.472 5.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.226 -1.559 4.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.783 -1.406 3.826 1.00 0.00 H new ATOM 59 N PHE A 4 9.463 -1.714 0.033 1.00 0.00 N ATOM 60 CA PHE A 4 10.824 -1.533 -0.469 1.00 0.00 C ATOM 61 C PHE A 4 11.799 -1.614 0.713 1.00 0.00 C ATOM 62 O PHE A 4 12.092 -0.610 1.377 1.00 0.00 O ATOM 63 CB PHE A 4 10.953 -0.190 -1.242 1.00 0.00 C ATOM 64 CG PHE A 4 12.364 0.119 -1.739 1.00 0.00 C ATOM 65 CD1 PHE A 4 13.023 -0.761 -2.596 1.00 0.00 C ATOM 66 CD2 PHE A 4 13.045 1.270 -1.326 1.00 0.00 C ATOM 67 CE1 PHE A 4 14.303 -0.498 -3.032 1.00 0.00 C ATOM 68 CE2 PHE A 4 14.326 1.530 -1.765 1.00 0.00 C ATOM 69 CZ PHE A 4 14.956 0.645 -2.613 1.00 0.00 C ATOM 0 H PHE A 4 8.955 -0.839 0.161 1.00 0.00 H new ATOM 0 HA PHE A 4 11.069 -2.324 -1.178 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.276 -0.210 -2.096 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.624 0.622 -0.593 1.00 0.00 H new ATOM 0 HD1 PHE A 4 12.523 -1.661 -2.923 1.00 0.00 H new ATOM 0 HD2 PHE A 4 12.561 1.964 -0.655 1.00 0.00 H new ATOM 0 HE1 PHE A 4 14.797 -1.186 -3.702 1.00 0.00 H new ATOM 0 HE2 PHE A 4 14.835 2.427 -1.444 1.00 0.00 H new ATOM 0 HZ PHE A 4 15.962 0.845 -2.951 1.00 0.00 H new ATOM 79 N TYR A 5 12.254 -2.833 1.000 1.00 0.00 N ATOM 80 CA TYR A 5 13.233 -3.081 2.046 1.00 0.00 C ATOM 81 C TYR A 5 14.637 -2.686 1.558 1.00 0.00 C ATOM 82 O TYR A 5 15.049 -3.019 0.444 1.00 0.00 O ATOM 83 CB TYR A 5 13.189 -4.553 2.495 1.00 0.00 C ATOM 84 CG TYR A 5 11.997 -4.891 3.407 1.00 0.00 C ATOM 85 CD1 TYR A 5 12.054 -4.640 4.780 1.00 0.00 C ATOM 86 CD2 TYR A 5 10.830 -5.472 2.911 1.00 0.00 C ATOM 87 CE1 TYR A 5 11.002 -4.953 5.611 1.00 0.00 C ATOM 88 CE2 TYR A 5 9.777 -5.791 3.743 1.00 0.00 C ATOM 89 CZ TYR A 5 9.868 -5.530 5.092 1.00 0.00 C ATOM 90 OH TYR A 5 8.817 -5.846 5.922 1.00 0.00 O ATOM 0 H TYR A 5 11.951 -3.675 0.510 1.00 0.00 H new ATOM 0 HA TYR A 5 12.988 -2.466 2.912 1.00 0.00 H new ATOM 0 HB2 TYR A 5 13.151 -5.191 1.612 1.00 0.00 H new ATOM 0 HB3 TYR A 5 14.114 -4.790 3.020 1.00 0.00 H new ATOM 0 HD1 TYR A 5 12.942 -4.191 5.199 1.00 0.00 H new ATOM 0 HD2 TYR A 5 10.749 -5.676 1.854 1.00 0.00 H new ATOM 0 HE1 TYR A 5 11.068 -4.745 6.669 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.884 -6.244 3.338 1.00 0.00 H new ATOM 0 HH TYR A 5 9.145 -5.953 6.839 1.00 0.00 H new ATOM 100 N GLN A 6 15.320 -1.925 2.404 1.00 0.00 N ATOM 101 CA GLN A 6 16.697 -1.477 2.211 1.00 0.00 C ATOM 102 C GLN A 6 17.288 -1.184 3.590 1.00 0.00 C ATOM 103 O GLN A 6 16.548 -1.074 4.566 1.00 0.00 O ATOM 104 CB GLN A 6 16.748 -0.238 1.252 1.00 0.00 C ATOM 105 CG GLN A 6 15.763 0.927 1.578 1.00 0.00 C ATOM 106 CD GLN A 6 16.153 1.806 2.772 1.00 0.00 C ATOM 107 OE1 GLN A 6 17.341 1.995 3.060 1.00 0.00 O ATOM 108 NE2 GLN A 6 15.160 2.340 3.473 1.00 0.00 N ATOM 0 H GLN A 6 14.916 -1.589 3.278 1.00 0.00 H new ATOM 0 HA GLN A 6 17.296 -2.249 1.728 1.00 0.00 H new ATOM 0 HB2 GLN A 6 17.763 0.159 1.260 1.00 0.00 H new ATOM 0 HB3 GLN A 6 16.548 -0.582 0.237 1.00 0.00 H new ATOM 0 HG2 GLN A 6 15.673 1.561 0.696 1.00 0.00 H new ATOM 0 HG3 GLN A 6 14.777 0.503 1.768 1.00 0.00 H new ATOM 0 HE21 GLN A 6 14.192 2.161 3.204 1.00 0.00 H new ATOM 0 HE22 GLN A 6 15.365 2.929 4.280 1.00 0.00 H new ATOM 117 N TYR A 7 18.611 -1.079 3.683 1.00 0.00 N ATOM 118 CA TYR A 7 19.280 -0.709 4.939 1.00 0.00 C ATOM 119 C TYR A 7 20.690 -0.228 4.621 1.00 0.00 C ATOM 120 O TYR A 7 21.420 -0.934 3.923 1.00 0.00 O ATOM 121 CB TYR A 7 19.328 -1.908 5.923 1.00 0.00 C ATOM 122 CG TYR A 7 19.768 -1.538 7.351 1.00 0.00 C ATOM 123 CD1 TYR A 7 18.850 -1.013 8.265 1.00 0.00 C ATOM 124 CD2 TYR A 7 21.082 -1.717 7.790 1.00 0.00 C ATOM 125 CE1 TYR A 7 19.224 -0.679 9.552 1.00 0.00 C ATOM 126 CE2 TYR A 7 21.460 -1.386 9.078 1.00 0.00 C ATOM 127 CZ TYR A 7 20.527 -0.869 9.959 1.00 0.00 C ATOM 128 OH TYR A 7 20.896 -0.544 11.246 1.00 0.00 O ATOM 0 H TYR A 7 19.248 -1.244 2.904 1.00 0.00 H new ATOM 0 HA TYR A 7 18.715 0.089 5.422 1.00 0.00 H new ATOM 0 HB2 TYR A 7 18.340 -2.367 5.967 1.00 0.00 H new ATOM 0 HB3 TYR A 7 20.011 -2.660 5.528 1.00 0.00 H new ATOM 0 HD1 TYR A 7 17.825 -0.865 7.958 1.00 0.00 H new ATOM 0 HD2 TYR A 7 21.817 -2.122 7.110 1.00 0.00 H new ATOM 0 HE1 TYR A 7 18.497 -0.270 10.238 1.00 0.00 H new ATOM 0 HE2 TYR A 7 22.482 -1.531 9.396 1.00 0.00 H new ATOM 0 HH TYR A 7 21.848 -0.739 11.373 1.00 0.00 H new ATOM 138 N LYS A 8 21.034 0.972 5.126 1.00 0.00 N ATOM 139 CA LYS A 8 22.362 1.607 5.003 1.00 0.00 C ATOM 140 C LYS A 8 22.675 1.983 3.532 1.00 0.00 C ATOM 141 O LYS A 8 22.739 1.108 2.660 1.00 0.00 O ATOM 142 CB LYS A 8 23.477 0.718 5.635 1.00 0.00 C ATOM 143 CG LYS A 8 24.856 1.405 5.754 1.00 0.00 C ATOM 144 CD LYS A 8 25.908 0.534 6.482 1.00 0.00 C ATOM 145 CE LYS A 8 27.223 1.295 6.743 1.00 0.00 C ATOM 146 NZ LYS A 8 28.210 0.463 7.479 1.00 0.00 N ATOM 0 H LYS A 8 20.373 1.546 5.649 1.00 0.00 H new ATOM 0 HA LYS A 8 22.340 2.538 5.569 1.00 0.00 H new ATOM 0 HB2 LYS A 8 23.155 0.405 6.628 1.00 0.00 H new ATOM 0 HB3 LYS A 8 23.586 -0.186 5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 8 25.222 1.647 4.756 1.00 0.00 H new ATOM 0 HG3 LYS A 8 24.741 2.348 6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 8 25.497 0.189 7.431 1.00 0.00 H new ATOM 0 HD3 LYS A 8 26.117 -0.353 5.884 1.00 0.00 H new ATOM 0 HE2 LYS A 8 27.653 1.613 5.793 1.00 0.00 H new ATOM 0 HE3 LYS A 8 27.012 2.198 7.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 29.080 1.012 7.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 27.810 0.181 8.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 28.432 -0.387 6.922 1.00 0.00 H new ATOM 160 N ASN A 9 22.868 3.298 3.285 1.00 0.00 N ATOM 161 CA ASN A 9 23.059 3.865 1.929 1.00 0.00 C ATOM 162 C ASN A 9 24.315 3.284 1.242 1.00 0.00 C ATOM 163 O ASN A 9 25.444 3.622 1.602 1.00 0.00 O ATOM 164 CB ASN A 9 23.147 5.415 1.992 1.00 0.00 C ATOM 165 CG ASN A 9 21.846 6.070 2.447 1.00 0.00 C ATOM 166 OD1 ASN A 9 20.992 6.397 1.626 1.00 0.00 O ATOM 167 ND2 ASN A 9 21.680 6.266 3.750 1.00 0.00 N ATOM 0 H ASN A 9 22.896 4.000 4.024 1.00 0.00 H new ATOM 0 HA ASN A 9 22.192 3.585 1.331 1.00 0.00 H new ATOM 0 HB2 ASN A 9 23.948 5.700 2.674 1.00 0.00 H new ATOM 0 HB3 ASN A 9 23.415 5.798 1.007 1.00 0.00 H new ATOM 0 HD21 ASN A 9 20.824 6.700 4.096 1.00 0.00 H new ATOM 0 HD22 ASN A 9 22.409 5.983 4.405 1.00 0.00 H new ATOM 174 N CYS A 10 24.086 2.383 0.274 1.00 0.00 N ATOM 175 CA CYS A 10 25.153 1.705 -0.486 1.00 0.00 C ATOM 176 C CYS A 10 24.889 1.804 -1.994 1.00 0.00 C ATOM 177 O CYS A 10 25.212 0.879 -2.747 1.00 0.00 O ATOM 178 CB CYS A 10 25.261 0.235 -0.013 1.00 0.00 C ATOM 179 SG CYS A 10 25.761 0.071 1.709 1.00 0.00 S ATOM 0 H CYS A 10 23.147 2.101 -0.007 1.00 0.00 H new ATOM 0 HA CYS A 10 26.108 2.197 -0.299 1.00 0.00 H new ATOM 0 HB2 CYS A 10 24.297 -0.255 -0.152 1.00 0.00 H new ATOM 0 HB3 CYS A 10 25.979 -0.290 -0.643 1.00 0.00 H new ATOM 0 HG CYS A 10 24.840 0.572 2.478 1.00 0.00 H new ATOM 185 N THR A 11 24.323 2.962 -2.417 1.00 0.00 N ATOM 186 CA THR A 11 24.001 3.293 -3.833 1.00 0.00 C ATOM 187 C THR A 11 22.748 2.528 -4.335 1.00 0.00 C ATOM 188 O THR A 11 21.786 3.152 -4.775 1.00 0.00 O ATOM 189 CB THR A 11 25.225 3.075 -4.804 1.00 0.00 C ATOM 190 OG1 THR A 11 26.371 3.785 -4.305 1.00 0.00 O ATOM 191 CG2 THR A 11 24.929 3.538 -6.244 1.00 0.00 C ATOM 0 H THR A 11 24.071 3.710 -1.771 1.00 0.00 H new ATOM 0 HA THR A 11 23.771 4.358 -3.848 1.00 0.00 H new ATOM 0 HB THR A 11 25.421 2.003 -4.837 1.00 0.00 H new ATOM 0 HG1 THR A 11 27.130 3.646 -4.909 1.00 0.00 H new ATOM 0 HG21 THR A 11 25.805 3.365 -6.869 1.00 0.00 H new ATOM 0 HG22 THR A 11 24.083 2.976 -6.640 1.00 0.00 H new ATOM 0 HG23 THR A 11 24.689 4.601 -6.242 1.00 0.00 H new ATOM 199 N THR A 12 22.783 1.182 -4.234 1.00 0.00 N ATOM 200 CA THR A 12 21.709 0.250 -4.671 1.00 0.00 C ATOM 201 C THR A 12 20.303 0.688 -4.201 1.00 0.00 C ATOM 202 O THR A 12 19.344 0.693 -4.982 1.00 0.00 O ATOM 203 CB THR A 12 22.019 -1.170 -4.098 1.00 0.00 C ATOM 204 OG1 THR A 12 23.396 -1.492 -4.347 1.00 0.00 O ATOM 205 CG2 THR A 12 21.133 -2.267 -4.701 1.00 0.00 C ATOM 0 H THR A 12 23.584 0.693 -3.834 1.00 0.00 H new ATOM 0 HA THR A 12 21.697 0.249 -5.761 1.00 0.00 H new ATOM 0 HB THR A 12 21.810 -1.135 -3.029 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.594 -2.382 -3.987 1.00 0.00 H new ATOM 0 HG21 THR A 12 21.397 -3.230 -4.263 1.00 0.00 H new ATOM 0 HG22 THR A 12 20.087 -2.047 -4.490 1.00 0.00 H new ATOM 0 HG23 THR A 12 21.285 -2.306 -5.780 1.00 0.00 H new ATOM 213 N CYS A 13 20.234 1.072 -2.920 1.00 0.00 N ATOM 214 CA CYS A 13 19.004 1.523 -2.254 1.00 0.00 C ATOM 215 C CYS A 13 18.436 2.791 -2.923 1.00 0.00 C ATOM 216 O CYS A 13 17.240 2.882 -3.185 1.00 0.00 O ATOM 217 CB CYS A 13 19.331 1.797 -0.770 1.00 0.00 C ATOM 218 SG CYS A 13 20.783 2.858 -0.539 1.00 0.00 S ATOM 0 H CYS A 13 21.048 1.078 -2.305 1.00 0.00 H new ATOM 0 HA CYS A 13 18.242 0.748 -2.337 1.00 0.00 H new ATOM 0 HB2 CYS A 13 18.469 2.265 -0.296 1.00 0.00 H new ATOM 0 HB3 CYS A 13 19.499 0.848 -0.261 1.00 0.00 H new ATOM 0 HG CYS A 13 20.436 3.935 0.101 1.00 0.00 H new ATOM 224 N LYS A 14 19.327 3.747 -3.219 1.00 0.00 N ATOM 225 CA LYS A 14 18.961 5.060 -3.786 1.00 0.00 C ATOM 226 C LYS A 14 18.668 4.980 -5.294 1.00 0.00 C ATOM 227 O LYS A 14 17.873 5.766 -5.807 1.00 0.00 O ATOM 228 CB LYS A 14 20.091 6.075 -3.483 1.00 0.00 C ATOM 229 CG LYS A 14 20.093 6.585 -2.025 1.00 0.00 C ATOM 230 CD LYS A 14 18.893 7.525 -1.745 1.00 0.00 C ATOM 231 CE LYS A 14 18.829 8.015 -0.290 1.00 0.00 C ATOM 232 NZ LYS A 14 18.464 6.926 0.654 1.00 0.00 N ATOM 0 H LYS A 14 20.330 3.634 -3.072 1.00 0.00 H new ATOM 0 HA LYS A 14 18.037 5.396 -3.316 1.00 0.00 H new ATOM 0 HB2 LYS A 14 21.053 5.609 -3.697 1.00 0.00 H new ATOM 0 HB3 LYS A 14 19.993 6.927 -4.156 1.00 0.00 H new ATOM 0 HG2 LYS A 14 20.057 5.736 -1.342 1.00 0.00 H new ATOM 0 HG3 LYS A 14 21.025 7.115 -1.826 1.00 0.00 H new ATOM 0 HD2 LYS A 14 18.954 8.387 -2.409 1.00 0.00 H new ATOM 0 HD3 LYS A 14 17.967 7.002 -1.986 1.00 0.00 H new ATOM 0 HE2 LYS A 14 19.796 8.431 -0.006 1.00 0.00 H new ATOM 0 HE3 LYS A 14 18.099 8.821 -0.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.851 7.307 1.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.958 6.176 0.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 19.327 6.532 1.080 1.00 0.00 H new ATOM 246 N LYS A 15 19.321 4.030 -5.986 1.00 0.00 N ATOM 247 CA LYS A 15 19.101 3.777 -7.424 1.00 0.00 C ATOM 248 C LYS A 15 17.717 3.158 -7.643 1.00 0.00 C ATOM 249 O LYS A 15 16.966 3.572 -8.528 1.00 0.00 O ATOM 250 CB LYS A 15 20.207 2.840 -7.993 1.00 0.00 C ATOM 251 CG LYS A 15 21.641 3.439 -8.082 1.00 0.00 C ATOM 252 CD LYS A 15 21.889 4.359 -9.317 1.00 0.00 C ATOM 253 CE LYS A 15 21.332 5.785 -9.165 1.00 0.00 C ATOM 254 NZ LYS A 15 21.566 6.601 -10.378 1.00 0.00 N ATOM 0 H LYS A 15 20.017 3.415 -5.565 1.00 0.00 H new ATOM 0 HA LYS A 15 19.151 4.728 -7.954 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.248 1.944 -7.373 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.906 2.523 -8.992 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.838 4.011 -7.175 1.00 0.00 H new ATOM 0 HG3 LYS A 15 22.361 2.621 -8.106 1.00 0.00 H new ATOM 0 HD2 LYS A 15 22.962 4.418 -9.502 1.00 0.00 H new ATOM 0 HD3 LYS A 15 21.439 3.897 -10.196 1.00 0.00 H new ATOM 0 HE2 LYS A 15 20.262 5.737 -8.960 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.799 6.268 -8.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.176 7.555 -10.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 22.588 6.668 -10.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 21.099 6.154 -11.193 1.00 0.00 H new ATOM 268 N ALA A 16 17.405 2.163 -6.804 1.00 0.00 N ATOM 269 CA ALA A 16 16.129 1.436 -6.846 1.00 0.00 C ATOM 270 C ALA A 16 14.970 2.356 -6.430 1.00 0.00 C ATOM 271 O ALA A 16 13.902 2.339 -7.053 1.00 0.00 O ATOM 272 CB ALA A 16 16.216 0.197 -5.946 1.00 0.00 C ATOM 0 H ALA A 16 18.035 1.837 -6.071 1.00 0.00 H new ATOM 0 HA ALA A 16 15.932 1.107 -7.866 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.269 -0.342 -5.977 1.00 0.00 H new ATOM 0 HB2 ALA A 16 17.016 -0.454 -6.299 1.00 0.00 H new ATOM 0 HB3 ALA A 16 16.424 0.505 -4.922 1.00 0.00 H new ATOM 278 N ALA A 17 15.221 3.177 -5.389 1.00 0.00 N ATOM 279 CA ALA A 17 14.252 4.179 -4.898 1.00 0.00 C ATOM 280 C ALA A 17 13.909 5.196 -6.001 1.00 0.00 C ATOM 281 O ALA A 17 12.737 5.491 -6.244 1.00 0.00 O ATOM 282 CB ALA A 17 14.806 4.907 -3.662 1.00 0.00 C ATOM 0 H ALA A 17 16.097 3.164 -4.867 1.00 0.00 H new ATOM 0 HA ALA A 17 13.339 3.654 -4.616 1.00 0.00 H new ATOM 0 HB1 ALA A 17 14.078 5.641 -3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.998 4.184 -2.869 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.735 5.413 -3.924 1.00 0.00 H new ATOM 288 N LYS A 18 14.961 5.701 -6.667 1.00 0.00 N ATOM 289 CA LYS A 18 14.840 6.675 -7.769 1.00 0.00 C ATOM 290 C LYS A 18 14.051 6.081 -8.956 1.00 0.00 C ATOM 291 O LYS A 18 13.176 6.745 -9.503 1.00 0.00 O ATOM 292 CB LYS A 18 16.260 7.144 -8.215 1.00 0.00 C ATOM 293 CG LYS A 18 16.335 7.894 -9.570 1.00 0.00 C ATOM 294 CD LYS A 18 15.472 9.179 -9.638 1.00 0.00 C ATOM 295 CE LYS A 18 15.397 9.738 -11.066 1.00 0.00 C ATOM 296 NZ LYS A 18 14.547 10.948 -11.155 1.00 0.00 N ATOM 0 H LYS A 18 15.925 5.445 -6.456 1.00 0.00 H new ATOM 0 HA LYS A 18 14.281 7.540 -7.411 1.00 0.00 H new ATOM 0 HB2 LYS A 18 16.666 7.794 -7.440 1.00 0.00 H new ATOM 0 HB3 LYS A 18 16.909 6.270 -8.270 1.00 0.00 H new ATOM 0 HG2 LYS A 18 17.374 8.158 -9.769 1.00 0.00 H new ATOM 0 HG3 LYS A 18 16.020 7.217 -10.364 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.466 8.961 -9.279 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.891 9.934 -8.973 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.402 9.977 -11.413 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.004 8.971 -11.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.528 11.287 -12.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.580 10.716 -10.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.935 11.691 -10.540 1.00 0.00 H new ATOM 310 N PHE A 19 14.389 4.841 -9.337 1.00 0.00 N ATOM 311 CA PHE A 19 13.751 4.119 -10.461 1.00 0.00 C ATOM 312 C PHE A 19 12.223 4.037 -10.274 1.00 0.00 C ATOM 313 O PHE A 19 11.437 4.435 -11.156 1.00 0.00 O ATOM 314 CB PHE A 19 14.352 2.686 -10.576 1.00 0.00 C ATOM 315 CG PHE A 19 13.842 1.893 -11.779 1.00 0.00 C ATOM 316 CD1 PHE A 19 14.495 1.966 -13.002 1.00 0.00 C ATOM 317 CD2 PHE A 19 12.701 1.087 -11.696 1.00 0.00 C ATOM 318 CE1 PHE A 19 14.033 1.272 -14.097 1.00 0.00 C ATOM 319 CE2 PHE A 19 12.243 0.394 -12.796 1.00 0.00 C ATOM 320 CZ PHE A 19 12.909 0.484 -13.995 1.00 0.00 C ATOM 0 H PHE A 19 15.119 4.301 -8.873 1.00 0.00 H new ATOM 0 HA PHE A 19 13.950 4.671 -11.379 1.00 0.00 H new ATOM 0 HB2 PHE A 19 15.438 2.762 -10.638 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.123 2.133 -9.665 1.00 0.00 H new ATOM 0 HD1 PHE A 19 15.380 2.578 -13.096 1.00 0.00 H new ATOM 0 HD2 PHE A 19 12.172 1.007 -10.758 1.00 0.00 H new ATOM 0 HE1 PHE A 19 14.554 1.346 -15.040 1.00 0.00 H new ATOM 0 HE2 PHE A 19 11.359 -0.221 -12.716 1.00 0.00 H new ATOM 0 HZ PHE A 19 12.551 -0.062 -14.855 1.00 0.00 H new ATOM 330 N LEU A 20 11.835 3.507 -9.101 1.00 0.00 N ATOM 331 CA LEU A 20 10.430 3.307 -8.724 1.00 0.00 C ATOM 332 C LEU A 20 9.690 4.664 -8.669 1.00 0.00 C ATOM 333 O LEU A 20 8.607 4.806 -9.236 1.00 0.00 O ATOM 334 CB LEU A 20 10.371 2.538 -7.375 1.00 0.00 C ATOM 335 CG LEU A 20 10.905 1.063 -7.424 1.00 0.00 C ATOM 336 CD1 LEU A 20 11.076 0.461 -6.013 1.00 0.00 C ATOM 337 CD2 LEU A 20 9.992 0.173 -8.299 1.00 0.00 C ATOM 0 H LEU A 20 12.495 3.204 -8.384 1.00 0.00 H new ATOM 0 HA LEU A 20 9.919 2.705 -9.475 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.947 3.092 -6.634 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.338 2.522 -7.029 1.00 0.00 H new ATOM 0 HG LEU A 20 11.894 1.094 -7.882 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.447 -0.560 -6.096 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.787 1.061 -5.445 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.114 0.457 -5.500 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.384 -0.844 -8.317 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.984 0.166 -7.884 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.963 0.568 -9.314 1.00 0.00 H new ATOM 349 N ASP A 21 10.336 5.670 -8.055 1.00 0.00 N ATOM 350 CA ASP A 21 9.808 7.052 -7.965 1.00 0.00 C ATOM 351 C ASP A 21 9.600 7.674 -9.366 1.00 0.00 C ATOM 352 O ASP A 21 8.592 8.353 -9.616 1.00 0.00 O ATOM 353 CB ASP A 21 10.776 7.934 -7.132 1.00 0.00 C ATOM 354 CG ASP A 21 10.329 9.402 -7.026 1.00 0.00 C ATOM 355 OD1 ASP A 21 9.345 9.681 -6.310 1.00 0.00 O ATOM 356 OD2 ASP A 21 10.961 10.279 -7.653 1.00 0.00 O ATOM 0 H ASP A 21 11.243 5.552 -7.604 1.00 0.00 H new ATOM 0 HA ASP A 21 8.837 7.008 -7.472 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.864 7.516 -6.129 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.768 7.896 -7.582 1.00 0.00 H new ATOM 361 N GLU A 22 10.550 7.399 -10.269 1.00 0.00 N ATOM 362 CA GLU A 22 10.591 7.974 -11.625 1.00 0.00 C ATOM 363 C GLU A 22 9.390 7.495 -12.453 1.00 0.00 C ATOM 364 O GLU A 22 8.728 8.293 -13.126 1.00 0.00 O ATOM 365 CB GLU A 22 11.931 7.592 -12.315 1.00 0.00 C ATOM 366 CG GLU A 22 12.077 8.073 -13.772 1.00 0.00 C ATOM 367 CD GLU A 22 13.431 7.701 -14.399 1.00 0.00 C ATOM 368 OE1 GLU A 22 14.456 8.320 -14.040 1.00 0.00 O ATOM 369 OE2 GLU A 22 13.476 6.789 -15.252 1.00 0.00 O ATOM 0 H GLU A 22 11.324 6.762 -10.078 1.00 0.00 H new ATOM 0 HA GLU A 22 10.532 9.060 -11.553 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.753 8.003 -11.729 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.036 6.507 -12.295 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.275 7.643 -14.372 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.954 9.156 -13.805 1.00 0.00 H new ATOM 376 N TYR A 23 9.106 6.185 -12.370 1.00 0.00 N ATOM 377 CA TYR A 23 7.961 5.569 -13.074 1.00 0.00 C ATOM 378 C TYR A 23 6.605 5.877 -12.390 1.00 0.00 C ATOM 379 O TYR A 23 5.546 5.573 -12.960 1.00 0.00 O ATOM 380 CB TYR A 23 8.183 4.036 -13.212 1.00 0.00 C ATOM 381 CG TYR A 23 9.014 3.631 -14.438 1.00 0.00 C ATOM 382 CD1 TYR A 23 10.413 3.639 -14.418 1.00 0.00 C ATOM 383 CD2 TYR A 23 8.384 3.226 -15.621 1.00 0.00 C ATOM 384 CE1 TYR A 23 11.142 3.255 -15.529 1.00 0.00 C ATOM 385 CE2 TYR A 23 9.107 2.841 -16.730 1.00 0.00 C ATOM 386 CZ TYR A 23 10.484 2.853 -16.681 1.00 0.00 C ATOM 387 OH TYR A 23 11.211 2.467 -17.790 1.00 0.00 O ATOM 0 H TYR A 23 9.656 5.525 -11.819 1.00 0.00 H new ATOM 0 HA TYR A 23 7.910 6.013 -14.068 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.679 3.669 -12.313 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.213 3.542 -13.265 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.931 3.949 -13.523 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.305 3.215 -15.666 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.222 3.268 -15.499 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.598 2.532 -17.631 1.00 0.00 H new ATOM 0 HH TYR A 23 10.598 2.214 -18.511 1.00 0.00 H new ATOM 397 N GLY A 24 6.637 6.478 -11.182 1.00 0.00 N ATOM 398 CA GLY A 24 5.408 6.820 -10.446 1.00 0.00 C ATOM 399 C GLY A 24 4.893 5.666 -9.584 1.00 0.00 C ATOM 400 O GLY A 24 3.733 5.665 -9.153 1.00 0.00 O ATOM 0 H GLY A 24 7.498 6.734 -10.700 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.599 7.685 -9.811 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.634 7.111 -11.156 1.00 0.00 H new ATOM 404 N VAL A 25 5.777 4.690 -9.336 1.00 0.00 N ATOM 405 CA VAL A 25 5.502 3.507 -8.505 1.00 0.00 C ATOM 406 C VAL A 25 5.592 3.882 -7.016 1.00 0.00 C ATOM 407 O VAL A 25 6.618 4.416 -6.563 1.00 0.00 O ATOM 408 CB VAL A 25 6.539 2.359 -8.811 1.00 0.00 C ATOM 409 CG1 VAL A 25 6.235 1.071 -8.013 1.00 0.00 C ATOM 410 CG2 VAL A 25 6.625 2.067 -10.322 1.00 0.00 C ATOM 0 H VAL A 25 6.724 4.700 -9.715 1.00 0.00 H new ATOM 0 HA VAL A 25 4.498 3.152 -8.738 1.00 0.00 H new ATOM 0 HB VAL A 25 7.514 2.719 -8.482 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.975 0.309 -8.256 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.274 1.287 -6.945 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.241 0.708 -8.274 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.349 1.271 -10.498 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.647 1.756 -10.689 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.941 2.967 -10.849 1.00 0.00 H new ATOM 420 N SER A 26 4.512 3.618 -6.265 1.00 0.00 N ATOM 421 CA SER A 26 4.486 3.832 -4.814 1.00 0.00 C ATOM 422 C SER A 26 5.250 2.699 -4.104 1.00 0.00 C ATOM 423 O SER A 26 4.752 1.570 -3.987 1.00 0.00 O ATOM 424 CB SER A 26 3.032 3.918 -4.307 1.00 0.00 C ATOM 425 OG SER A 26 2.319 4.954 -4.970 1.00 0.00 O ATOM 0 H SER A 26 3.639 3.253 -6.645 1.00 0.00 H new ATOM 0 HA SER A 26 4.977 4.778 -4.586 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.530 2.965 -4.470 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.029 4.100 -3.232 1.00 0.00 H new ATOM 0 HG SER A 26 1.400 4.987 -4.632 1.00 0.00 H new ATOM 431 N TYR A 27 6.486 3.006 -3.695 1.00 0.00 N ATOM 432 CA TYR A 27 7.337 2.099 -2.899 1.00 0.00 C ATOM 433 C TYR A 27 7.367 2.580 -1.432 1.00 0.00 C ATOM 434 O TYR A 27 7.018 3.734 -1.142 1.00 0.00 O ATOM 435 CB TYR A 27 8.770 2.022 -3.496 1.00 0.00 C ATOM 436 CG TYR A 27 9.572 3.334 -3.447 1.00 0.00 C ATOM 437 CD1 TYR A 27 9.384 4.336 -4.404 1.00 0.00 C ATOM 438 CD2 TYR A 27 10.528 3.565 -2.454 1.00 0.00 C ATOM 439 CE1 TYR A 27 10.113 5.508 -4.371 1.00 0.00 C ATOM 440 CE2 TYR A 27 11.258 4.737 -2.414 1.00 0.00 C ATOM 441 CZ TYR A 27 11.050 5.706 -3.376 1.00 0.00 C ATOM 442 OH TYR A 27 11.784 6.877 -3.347 1.00 0.00 O ATOM 0 H TYR A 27 6.933 3.898 -3.907 1.00 0.00 H new ATOM 0 HA TYR A 27 6.918 1.093 -2.930 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.328 1.254 -2.961 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.697 1.698 -4.534 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.653 4.190 -5.186 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.700 2.810 -1.701 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.951 6.268 -5.121 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.988 4.895 -1.634 1.00 0.00 H new ATOM 0 HH TYR A 27 12.399 6.859 -2.584 1.00 0.00 H new ATOM 452 N GLU A 28 7.795 1.700 -0.525 1.00 0.00 N ATOM 453 CA GLU A 28 7.802 1.967 0.926 1.00 0.00 C ATOM 454 C GLU A 28 9.213 1.709 1.479 1.00 0.00 C ATOM 455 O GLU A 28 9.553 0.557 1.733 1.00 0.00 O ATOM 456 CB GLU A 28 6.755 1.064 1.638 1.00 0.00 C ATOM 457 CG GLU A 28 6.625 1.290 3.161 1.00 0.00 C ATOM 458 CD GLU A 28 5.440 0.529 3.789 1.00 0.00 C ATOM 459 OE1 GLU A 28 4.315 0.573 3.229 1.00 0.00 O ATOM 460 OE2 GLU A 28 5.614 -0.103 4.853 1.00 0.00 O ATOM 0 H GLU A 28 8.149 0.776 -0.771 1.00 0.00 H new ATOM 0 HA GLU A 28 7.534 3.007 1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.781 1.230 1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.018 0.021 1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.548 0.977 3.648 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.507 2.356 3.355 1.00 0.00 H new ATOM 467 N PRO A 29 10.074 2.771 1.617 1.00 0.00 N ATOM 468 CA PRO A 29 11.443 2.620 2.168 1.00 0.00 C ATOM 469 C PRO A 29 11.418 2.253 3.677 1.00 0.00 C ATOM 470 O PRO A 29 11.155 3.100 4.540 1.00 0.00 O ATOM 471 CB PRO A 29 12.105 4.002 1.897 1.00 0.00 C ATOM 472 CG PRO A 29 10.951 4.963 1.833 1.00 0.00 C ATOM 473 CD PRO A 29 9.795 4.181 1.233 1.00 0.00 C ATOM 0 HA PRO A 29 11.999 1.804 1.707 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.803 4.271 2.690 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.670 3.996 0.965 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.697 5.336 2.825 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.197 5.830 1.220 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.837 4.520 1.628 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.753 4.299 0.150 1.00 0.00 H new ATOM 481 N ILE A 30 11.642 0.962 3.961 1.00 0.00 N ATOM 482 CA ILE A 30 11.700 0.400 5.329 1.00 0.00 C ATOM 483 C ILE A 30 12.968 -0.461 5.483 1.00 0.00 C ATOM 484 O ILE A 30 13.487 -0.991 4.504 1.00 0.00 O ATOM 485 CB ILE A 30 10.397 -0.438 5.680 1.00 0.00 C ATOM 486 CG1 ILE A 30 9.942 -1.292 4.449 1.00 0.00 C ATOM 487 CG2 ILE A 30 9.258 0.483 6.190 1.00 0.00 C ATOM 488 CD1 ILE A 30 8.677 -2.104 4.650 1.00 0.00 C ATOM 0 H ILE A 30 11.792 0.261 3.236 1.00 0.00 H new ATOM 0 HA ILE A 30 11.743 1.228 6.036 1.00 0.00 H new ATOM 0 HB ILE A 30 10.641 -1.126 6.490 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.793 -0.624 3.600 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.751 -1.972 4.182 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.380 -0.119 6.422 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.587 1.006 7.088 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.006 1.211 5.419 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.451 -2.657 3.738 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.821 -2.804 5.473 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.848 -1.435 4.883 1.00 0.00 H new ATOM 500 N ASP A 31 13.450 -0.576 6.724 1.00 0.00 N ATOM 501 CA ASP A 31 14.738 -1.221 7.044 1.00 0.00 C ATOM 502 C ASP A 31 14.621 -2.752 7.005 1.00 0.00 C ATOM 503 O ASP A 31 13.803 -3.305 7.721 1.00 0.00 O ATOM 504 CB ASP A 31 15.206 -0.763 8.434 1.00 0.00 C ATOM 505 CG ASP A 31 15.322 0.765 8.558 1.00 0.00 C ATOM 506 OD1 ASP A 31 14.315 1.423 8.914 1.00 0.00 O ATOM 507 OD2 ASP A 31 16.407 1.314 8.284 1.00 0.00 O ATOM 0 H ASP A 31 12.958 -0.223 7.545 1.00 0.00 H new ATOM 0 HA ASP A 31 15.469 -0.924 6.292 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.507 -1.131 9.185 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.174 -1.214 8.652 1.00 0.00 H new ATOM 512 N ILE A 32 15.455 -3.432 6.185 1.00 0.00 N ATOM 513 CA ILE A 32 15.403 -4.917 6.033 1.00 0.00 C ATOM 514 C ILE A 32 15.620 -5.662 7.378 1.00 0.00 C ATOM 515 O ILE A 32 14.967 -6.674 7.634 1.00 0.00 O ATOM 516 CB ILE A 32 16.430 -5.454 4.956 1.00 0.00 C ATOM 517 CG1 ILE A 32 16.224 -6.989 4.653 1.00 0.00 C ATOM 518 CG2 ILE A 32 17.889 -5.171 5.379 1.00 0.00 C ATOM 519 CD1 ILE A 32 14.949 -7.336 3.909 1.00 0.00 C ATOM 0 H ILE A 32 16.173 -2.983 5.617 1.00 0.00 H new ATOM 0 HA ILE A 32 14.394 -5.131 5.681 1.00 0.00 H new ATOM 0 HB ILE A 32 16.231 -4.909 4.033 1.00 0.00 H new ATOM 0 HG12 ILE A 32 17.074 -7.345 4.070 1.00 0.00 H new ATOM 0 HG13 ILE A 32 16.234 -7.534 5.597 1.00 0.00 H new ATOM 0 HG21 ILE A 32 18.569 -5.553 4.617 1.00 0.00 H new ATOM 0 HG22 ILE A 32 18.034 -4.096 5.489 1.00 0.00 H new ATOM 0 HG23 ILE A 32 18.095 -5.664 6.329 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.902 -8.413 3.750 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.087 -7.018 4.496 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.940 -6.826 2.945 1.00 0.00 H new ATOM 531 N VAL A 33 16.521 -5.137 8.236 1.00 0.00 N ATOM 532 CA VAL A 33 16.942 -5.821 9.484 1.00 0.00 C ATOM 533 C VAL A 33 16.144 -5.336 10.716 1.00 0.00 C ATOM 534 O VAL A 33 15.902 -6.100 11.659 1.00 0.00 O ATOM 535 CB VAL A 33 18.489 -5.655 9.723 1.00 0.00 C ATOM 536 CG1 VAL A 33 18.883 -4.191 9.979 1.00 0.00 C ATOM 537 CG2 VAL A 33 19.004 -6.577 10.852 1.00 0.00 C ATOM 0 H VAL A 33 16.975 -4.236 8.088 1.00 0.00 H new ATOM 0 HA VAL A 33 16.722 -6.881 9.354 1.00 0.00 H new ATOM 0 HB VAL A 33 18.977 -5.965 8.799 1.00 0.00 H new ATOM 0 HG11 VAL A 33 19.959 -4.126 10.138 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.607 -3.584 9.117 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.363 -3.823 10.863 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.076 -6.429 10.982 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.489 -6.336 11.782 1.00 0.00 H new ATOM 0 HG23 VAL A 33 18.811 -7.617 10.589 1.00 0.00 H new ATOM 547 N GLN A 34 15.738 -4.065 10.685 1.00 0.00 N ATOM 548 CA GLN A 34 14.992 -3.425 11.791 1.00 0.00 C ATOM 549 C GLN A 34 13.477 -3.716 11.650 1.00 0.00 C ATOM 550 O GLN A 34 12.726 -3.674 12.633 1.00 0.00 O ATOM 551 CB GLN A 34 15.297 -1.903 11.772 1.00 0.00 C ATOM 552 CG GLN A 34 14.684 -1.073 12.910 1.00 0.00 C ATOM 553 CD GLN A 34 14.969 0.424 12.764 1.00 0.00 C ATOM 554 OE1 GLN A 34 14.203 1.149 12.134 1.00 0.00 O ATOM 555 NE2 GLN A 34 16.067 0.888 13.338 1.00 0.00 N ATOM 0 H GLN A 34 15.913 -3.443 9.896 1.00 0.00 H new ATOM 0 HA GLN A 34 15.305 -3.832 12.752 1.00 0.00 H new ATOM 0 HB2 GLN A 34 16.379 -1.770 11.796 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.947 -1.495 10.824 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.606 -1.234 12.933 1.00 0.00 H new ATOM 0 HG3 GLN A 34 15.078 -1.423 13.864 1.00 0.00 H new ATOM 0 HE21 GLN A 34 16.679 0.256 13.853 1.00 0.00 H new ATOM 0 HE22 GLN A 34 16.301 1.878 13.265 1.00 0.00 H new ATOM 564 N HIS A 35 13.051 -4.028 10.409 1.00 0.00 N ATOM 565 CA HIS A 35 11.646 -4.355 10.064 1.00 0.00 C ATOM 566 C HIS A 35 11.552 -5.766 9.437 1.00 0.00 C ATOM 567 O HIS A 35 10.673 -6.009 8.597 1.00 0.00 O ATOM 568 CB HIS A 35 11.064 -3.298 9.075 1.00 0.00 C ATOM 569 CG HIS A 35 10.820 -1.927 9.642 1.00 0.00 C ATOM 570 ND1 HIS A 35 9.564 -1.366 9.715 1.00 0.00 N ATOM 571 CD2 HIS A 35 11.678 -0.976 10.090 1.00 0.00 C ATOM 572 CE1 HIS A 35 9.656 -0.139 10.187 1.00 0.00 C ATOM 573 NE2 HIS A 35 10.928 0.125 10.424 1.00 0.00 N ATOM 0 H HIS A 35 13.679 -4.061 9.606 1.00 0.00 H new ATOM 0 HA HIS A 35 11.061 -4.339 10.983 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.748 -3.204 8.232 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.122 -3.679 8.681 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.751 -1.068 10.169 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.830 0.537 10.352 1.00 0.00 H new ATOM 0 HE2 HIS A 35 11.293 1.002 10.794 1.00 0.00 H new ATOM 582 N THR A 36 12.425 -6.700 9.870 1.00 0.00 N ATOM 583 CA THR A 36 12.413 -8.087 9.354 1.00 0.00 C ATOM 584 C THR A 36 11.088 -8.786 9.746 1.00 0.00 C ATOM 585 O THR A 36 10.750 -8.807 10.939 1.00 0.00 O ATOM 586 CB THR A 36 13.609 -8.940 9.910 1.00 0.00 C ATOM 587 OG1 THR A 36 14.774 -8.128 10.035 1.00 0.00 O ATOM 588 CG2 THR A 36 13.938 -10.121 8.984 1.00 0.00 C ATOM 0 H THR A 36 13.143 -6.521 10.572 1.00 0.00 H new ATOM 0 HA THR A 36 12.511 -8.022 8.270 1.00 0.00 H new ATOM 0 HB THR A 36 13.307 -9.325 10.884 1.00 0.00 H new ATOM 0 HG1 THR A 36 14.830 -7.517 9.271 1.00 0.00 H new ATOM 0 HG21 THR A 36 14.770 -10.689 9.400 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.065 -10.768 8.896 1.00 0.00 H new ATOM 0 HG23 THR A 36 14.212 -9.745 7.998 1.00 0.00 H new ATOM 596 N PRO A 37 10.294 -9.327 8.766 1.00 0.00 N ATOM 597 CA PRO A 37 9.080 -10.111 9.086 1.00 0.00 C ATOM 598 C PRO A 37 9.416 -11.449 9.779 1.00 0.00 C ATOM 599 O PRO A 37 10.568 -11.905 9.753 1.00 0.00 O ATOM 600 CB PRO A 37 8.403 -10.327 7.707 1.00 0.00 C ATOM 601 CG PRO A 37 9.508 -10.181 6.704 1.00 0.00 C ATOM 602 CD PRO A 37 10.494 -9.190 7.295 1.00 0.00 C ATOM 0 HA PRO A 37 8.431 -9.597 9.795 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.941 -11.312 7.644 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.615 -9.594 7.535 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.989 -11.140 6.513 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.122 -9.823 5.750 1.00 0.00 H new ATOM 0 HD2 PRO A 37 11.519 -9.424 7.007 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.292 -8.174 6.956 1.00 0.00 H new ATOM 610 N THR A 38 8.399 -12.050 10.417 1.00 0.00 N ATOM 611 CA THR A 38 8.536 -13.354 11.082 1.00 0.00 C ATOM 612 C THR A 38 8.477 -14.494 10.048 1.00 0.00 C ATOM 613 O THR A 38 8.228 -14.257 8.863 1.00 0.00 O ATOM 614 CB THR A 38 7.443 -13.559 12.192 1.00 0.00 C ATOM 615 OG1 THR A 38 6.130 -13.447 11.626 1.00 0.00 O ATOM 616 CG2 THR A 38 7.590 -12.545 13.344 1.00 0.00 C ATOM 0 H THR A 38 7.464 -11.648 10.486 1.00 0.00 H new ATOM 0 HA THR A 38 9.509 -13.373 11.573 1.00 0.00 H new ATOM 0 HB THR A 38 7.587 -14.559 12.601 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.949 -14.228 11.063 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.814 -12.724 14.088 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.570 -12.660 13.807 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.490 -11.533 12.953 1.00 0.00 H new ATOM 624 N ILE A 39 8.707 -15.723 10.527 1.00 0.00 N ATOM 625 CA ILE A 39 8.758 -16.944 9.690 1.00 0.00 C ATOM 626 C ILE A 39 7.437 -17.150 8.918 1.00 0.00 C ATOM 627 O ILE A 39 7.445 -17.525 7.741 1.00 0.00 O ATOM 628 CB ILE A 39 9.043 -18.197 10.595 1.00 0.00 C ATOM 629 CG1 ILE A 39 10.344 -17.976 11.429 1.00 0.00 C ATOM 630 CG2 ILE A 39 9.119 -19.511 9.770 1.00 0.00 C ATOM 631 CD1 ILE A 39 10.565 -18.983 12.539 1.00 0.00 C ATOM 0 H ILE A 39 8.866 -15.907 11.518 1.00 0.00 H new ATOM 0 HA ILE A 39 9.562 -16.823 8.963 1.00 0.00 H new ATOM 0 HB ILE A 39 8.203 -18.308 11.281 1.00 0.00 H new ATOM 0 HG12 ILE A 39 11.200 -18.005 10.755 1.00 0.00 H new ATOM 0 HG13 ILE A 39 10.315 -16.977 11.864 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.318 -20.349 10.438 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.172 -19.673 9.256 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.921 -19.434 9.036 1.00 0.00 H new ATOM 0 HD11 ILE A 39 11.492 -18.750 13.063 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.731 -18.941 13.240 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.631 -19.985 12.114 1.00 0.00 H new ATOM 643 N ASN A 40 6.315 -16.885 9.613 1.00 0.00 N ATOM 644 CA ASN A 40 4.957 -16.995 9.053 1.00 0.00 C ATOM 645 C ASN A 40 4.735 -15.961 7.940 1.00 0.00 C ATOM 646 O ASN A 40 4.200 -16.285 6.880 1.00 0.00 O ATOM 647 CB ASN A 40 3.893 -16.812 10.165 1.00 0.00 C ATOM 648 CG ASN A 40 3.945 -17.890 11.256 1.00 0.00 C ATOM 649 OD1 ASN A 40 4.327 -19.038 11.007 1.00 0.00 O ATOM 650 ND2 ASN A 40 3.545 -17.526 12.468 1.00 0.00 N ATOM 0 H ASN A 40 6.327 -16.586 10.588 1.00 0.00 H new ATOM 0 HA ASN A 40 4.853 -17.992 8.624 1.00 0.00 H new ATOM 0 HB2 ASN A 40 4.028 -15.834 10.627 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.902 -16.816 9.711 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.547 -18.204 13.230 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.236 -16.569 12.637 1.00 0.00 H new ATOM 657 N GLU A 41 5.183 -14.722 8.182 1.00 0.00 N ATOM 658 CA GLU A 41 4.975 -13.608 7.238 1.00 0.00 C ATOM 659 C GLU A 41 5.893 -13.766 6.007 1.00 0.00 C ATOM 660 O GLU A 41 5.526 -13.363 4.901 1.00 0.00 O ATOM 661 CB GLU A 41 5.215 -12.249 7.945 1.00 0.00 C ATOM 662 CG GLU A 41 4.467 -12.072 9.288 1.00 0.00 C ATOM 663 CD GLU A 41 2.944 -12.295 9.201 1.00 0.00 C ATOM 664 OE1 GLU A 41 2.218 -11.354 8.816 1.00 0.00 O ATOM 665 OE2 GLU A 41 2.464 -13.406 9.527 1.00 0.00 O ATOM 0 H GLU A 41 5.694 -14.462 9.026 1.00 0.00 H new ATOM 0 HA GLU A 41 3.942 -13.630 6.892 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.284 -12.133 8.123 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.915 -11.447 7.270 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.883 -12.768 10.016 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.654 -11.066 9.665 1.00 0.00 H new ATOM 672 N PHE A 42 7.077 -14.380 6.221 1.00 0.00 N ATOM 673 CA PHE A 42 8.019 -14.736 5.146 1.00 0.00 C ATOM 674 C PHE A 42 7.387 -15.805 4.232 1.00 0.00 C ATOM 675 O PHE A 42 7.235 -15.577 3.035 1.00 0.00 O ATOM 676 CB PHE A 42 9.388 -15.236 5.718 1.00 0.00 C ATOM 677 CG PHE A 42 10.509 -14.199 5.749 1.00 0.00 C ATOM 678 CD1 PHE A 42 11.079 -13.731 4.560 1.00 0.00 C ATOM 679 CD2 PHE A 42 11.010 -13.709 6.950 1.00 0.00 C ATOM 680 CE1 PHE A 42 12.106 -12.806 4.582 1.00 0.00 C ATOM 681 CE2 PHE A 42 12.039 -12.786 6.972 1.00 0.00 C ATOM 682 CZ PHE A 42 12.585 -12.334 5.789 1.00 0.00 C ATOM 0 H PHE A 42 7.405 -14.643 7.151 1.00 0.00 H new ATOM 0 HA PHE A 42 8.223 -13.839 4.561 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.226 -15.600 6.733 1.00 0.00 H new ATOM 0 HB3 PHE A 42 9.721 -16.087 5.123 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.712 -14.097 3.613 1.00 0.00 H new ATOM 0 HD2 PHE A 42 10.588 -14.055 7.882 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.534 -12.452 3.656 1.00 0.00 H new ATOM 0 HE2 PHE A 42 12.415 -12.419 7.915 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.387 -11.611 5.806 1.00 0.00 H new ATOM 692 N LYS A 43 6.991 -16.961 4.808 1.00 0.00 N ATOM 693 CA LYS A 43 6.404 -18.075 4.019 1.00 0.00 C ATOM 694 C LYS A 43 5.110 -17.632 3.311 1.00 0.00 C ATOM 695 O LYS A 43 4.767 -18.173 2.258 1.00 0.00 O ATOM 696 CB LYS A 43 6.153 -19.337 4.887 1.00 0.00 C ATOM 697 CG LYS A 43 5.121 -19.170 6.024 1.00 0.00 C ATOM 698 CD LYS A 43 4.891 -20.461 6.845 1.00 0.00 C ATOM 699 CE LYS A 43 6.139 -20.914 7.628 1.00 0.00 C ATOM 700 NZ LYS A 43 5.908 -22.193 8.339 1.00 0.00 N ATOM 0 H LYS A 43 7.065 -17.150 5.808 1.00 0.00 H new ATOM 0 HA LYS A 43 7.136 -18.346 3.258 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.821 -20.145 4.235 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.101 -19.650 5.324 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.456 -18.378 6.694 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.172 -18.847 5.597 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.071 -20.298 7.544 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.582 -21.261 6.172 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.978 -21.026 6.941 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.417 -20.143 8.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.815 -22.568 8.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.272 -22.032 9.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.474 -22.879 7.688 1.00 0.00 H new ATOM 714 N THR A 44 4.421 -16.622 3.890 1.00 0.00 N ATOM 715 CA THR A 44 3.250 -15.996 3.264 1.00 0.00 C ATOM 716 C THR A 44 3.657 -15.236 1.985 1.00 0.00 C ATOM 717 O THR A 44 3.137 -15.544 0.922 1.00 0.00 O ATOM 718 CB THR A 44 2.500 -15.042 4.248 1.00 0.00 C ATOM 719 OG1 THR A 44 2.001 -15.797 5.362 1.00 0.00 O ATOM 720 CG2 THR A 44 1.326 -14.297 3.580 1.00 0.00 C ATOM 0 H THR A 44 4.665 -16.226 4.798 1.00 0.00 H new ATOM 0 HA THR A 44 2.562 -16.797 2.995 1.00 0.00 H new ATOM 0 HB THR A 44 3.220 -14.293 4.577 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.712 -15.908 6.027 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.843 -13.649 4.311 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.701 -13.694 2.753 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.603 -15.021 3.203 1.00 0.00 H new ATOM 728 N ILE A 45 4.617 -14.279 2.081 1.00 0.00 N ATOM 729 CA ILE A 45 5.018 -13.448 0.913 1.00 0.00 C ATOM 730 C ILE A 45 5.601 -14.325 -0.219 1.00 0.00 C ATOM 731 O ILE A 45 5.464 -14.000 -1.387 1.00 0.00 O ATOM 732 CB ILE A 45 6.022 -12.281 1.281 1.00 0.00 C ATOM 733 CG1 ILE A 45 7.428 -12.818 1.732 1.00 0.00 C ATOM 734 CG2 ILE A 45 5.397 -11.338 2.341 1.00 0.00 C ATOM 735 CD1 ILE A 45 8.450 -11.754 2.120 1.00 0.00 C ATOM 0 H ILE A 45 5.122 -14.065 2.941 1.00 0.00 H new ATOM 0 HA ILE A 45 4.104 -12.970 0.562 1.00 0.00 H new ATOM 0 HB ILE A 45 6.197 -11.703 0.374 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.286 -13.486 2.582 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.844 -13.417 0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.102 -10.542 2.581 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.480 -10.903 1.945 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.169 -11.905 3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.383 -12.235 2.414 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.633 -11.098 1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.066 -11.168 2.955 1.00 0.00 H new ATOM 747 N ILE A 46 6.204 -15.465 0.152 1.00 0.00 N ATOM 748 CA ILE A 46 6.766 -16.450 -0.795 1.00 0.00 C ATOM 749 C ILE A 46 5.645 -17.304 -1.429 1.00 0.00 C ATOM 750 O ILE A 46 5.723 -17.662 -2.608 1.00 0.00 O ATOM 751 CB ILE A 46 7.831 -17.328 -0.041 1.00 0.00 C ATOM 752 CG1 ILE A 46 9.012 -16.415 0.436 1.00 0.00 C ATOM 753 CG2 ILE A 46 8.349 -18.512 -0.898 1.00 0.00 C ATOM 754 CD1 ILE A 46 9.769 -16.929 1.628 1.00 0.00 C ATOM 0 H ILE A 46 6.318 -15.735 1.129 1.00 0.00 H new ATOM 0 HA ILE A 46 7.263 -15.935 -1.618 1.00 0.00 H new ATOM 0 HB ILE A 46 7.343 -17.777 0.824 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.710 -16.287 -0.391 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.615 -15.428 0.674 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.081 -19.082 -0.326 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.514 -19.159 -1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.816 -18.128 -1.805 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.566 -16.230 1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.090 -17.029 2.475 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.201 -17.902 1.393 1.00 0.00 H new ATOM 766 N ALA A 47 4.594 -17.597 -0.645 1.00 0.00 N ATOM 767 CA ALA A 47 3.392 -18.318 -1.132 1.00 0.00 C ATOM 768 C ALA A 47 2.494 -17.405 -1.995 1.00 0.00 C ATOM 769 O ALA A 47 1.734 -17.884 -2.842 1.00 0.00 O ATOM 770 CB ALA A 47 2.589 -18.885 0.053 1.00 0.00 C ATOM 0 H ALA A 47 4.547 -17.344 0.342 1.00 0.00 H new ATOM 0 HA ALA A 47 3.733 -19.142 -1.759 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.711 -19.411 -0.321 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.213 -19.577 0.618 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.274 -18.069 0.703 1.00 0.00 H new ATOM 776 N ASN A 48 2.594 -16.086 -1.763 1.00 0.00 N ATOM 777 CA ASN A 48 1.740 -15.071 -2.414 1.00 0.00 C ATOM 778 C ASN A 48 2.369 -14.568 -3.732 1.00 0.00 C ATOM 779 O ASN A 48 1.645 -14.281 -4.694 1.00 0.00 O ATOM 780 CB ASN A 48 1.470 -13.887 -1.439 1.00 0.00 C ATOM 781 CG ASN A 48 0.485 -14.194 -0.291 1.00 0.00 C ATOM 782 OD1 ASN A 48 0.476 -15.421 0.218 1.00 0.00 O flip ATOM 783 ND2 ASN A 48 -0.258 -13.316 0.149 1.00 0.00 N flip ATOM 0 H ASN A 48 3.273 -15.688 -1.115 1.00 0.00 H new ATOM 0 HA ASN A 48 0.788 -15.539 -2.664 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.419 -13.569 -1.007 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.083 -13.045 -2.013 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.236 -12.380 -0.255 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.895 -13.525 0.918 1.00 0.00 H new ATOM 790 N THR A 49 3.709 -14.452 -3.766 1.00 0.00 N ATOM 791 CA THR A 49 4.444 -14.002 -4.968 1.00 0.00 C ATOM 792 C THR A 49 4.906 -15.207 -5.804 1.00 0.00 C ATOM 793 O THR A 49 4.712 -15.242 -7.024 1.00 0.00 O ATOM 794 CB THR A 49 5.686 -13.131 -4.591 1.00 0.00 C ATOM 795 OG1 THR A 49 6.639 -13.913 -3.843 1.00 0.00 O ATOM 796 CG2 THR A 49 5.282 -11.893 -3.766 1.00 0.00 C ATOM 0 H THR A 49 4.311 -14.665 -2.970 1.00 0.00 H new ATOM 0 HA THR A 49 3.757 -13.392 -5.554 1.00 0.00 H new ATOM 0 HB THR A 49 6.139 -12.791 -5.522 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.325 -14.017 -2.921 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.171 -11.312 -3.523 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.594 -11.278 -4.346 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.794 -12.213 -2.845 1.00 0.00 H new ATOM 804 N GLY A 50 5.512 -16.193 -5.122 1.00 0.00 N ATOM 805 CA GLY A 50 6.103 -17.366 -5.778 1.00 0.00 C ATOM 806 C GLY A 50 7.604 -17.210 -6.006 1.00 0.00 C ATOM 807 O GLY A 50 8.144 -17.703 -7.003 1.00 0.00 O ATOM 0 H GLY A 50 5.605 -16.198 -4.106 1.00 0.00 H new ATOM 0 HA2 GLY A 50 5.921 -18.251 -5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.608 -17.532 -6.735 1.00 0.00 H new ATOM 811 N VAL A 51 8.280 -16.503 -5.074 1.00 0.00 N ATOM 812 CA VAL A 51 9.733 -16.249 -5.145 1.00 0.00 C ATOM 813 C VAL A 51 10.517 -17.440 -4.565 1.00 0.00 C ATOM 814 O VAL A 51 9.974 -18.223 -3.772 1.00 0.00 O ATOM 815 CB VAL A 51 10.103 -14.915 -4.386 1.00 0.00 C ATOM 816 CG1 VAL A 51 9.799 -14.996 -2.868 1.00 0.00 C ATOM 817 CG2 VAL A 51 11.573 -14.478 -4.635 1.00 0.00 C ATOM 0 H VAL A 51 7.833 -16.094 -4.253 1.00 0.00 H new ATOM 0 HA VAL A 51 10.011 -16.132 -6.193 1.00 0.00 H new ATOM 0 HB VAL A 51 9.458 -14.145 -4.809 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.071 -14.054 -2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.736 -15.184 -2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.376 -15.807 -2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.776 -13.556 -4.091 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.249 -15.260 -4.288 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.727 -14.311 -5.701 1.00 0.00 H new ATOM 827 N GLU A 52 11.781 -17.601 -5.003 1.00 0.00 N ATOM 828 CA GLU A 52 12.709 -18.548 -4.395 1.00 0.00 C ATOM 829 C GLU A 52 13.073 -18.069 -2.983 1.00 0.00 C ATOM 830 O GLU A 52 13.510 -16.929 -2.794 1.00 0.00 O ATOM 831 CB GLU A 52 13.993 -18.730 -5.241 1.00 0.00 C ATOM 832 CG GLU A 52 13.770 -19.320 -6.645 1.00 0.00 C ATOM 833 CD GLU A 52 13.467 -18.258 -7.722 1.00 0.00 C ATOM 834 OE1 GLU A 52 12.301 -17.818 -7.856 1.00 0.00 O ATOM 835 OE2 GLU A 52 14.413 -17.820 -8.416 1.00 0.00 O ATOM 0 H GLU A 52 12.176 -17.077 -5.784 1.00 0.00 H new ATOM 0 HA GLU A 52 12.214 -19.518 -4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.482 -17.761 -5.344 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.680 -19.378 -4.696 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.657 -19.880 -6.939 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.944 -20.030 -6.604 1.00 0.00 H new ATOM 842 N ILE A 53 12.879 -18.954 -2.011 1.00 0.00 N ATOM 843 CA ILE A 53 13.173 -18.690 -0.598 1.00 0.00 C ATOM 844 C ILE A 53 14.717 -18.611 -0.403 1.00 0.00 C ATOM 845 O ILE A 53 15.220 -17.854 0.434 1.00 0.00 O ATOM 846 CB ILE A 53 12.467 -19.798 0.298 1.00 0.00 C ATOM 847 CG1 ILE A 53 12.337 -19.402 1.806 1.00 0.00 C ATOM 848 CG2 ILE A 53 13.132 -21.181 0.137 1.00 0.00 C ATOM 849 CD1 ILE A 53 13.595 -19.445 2.650 1.00 0.00 C ATOM 0 H ILE A 53 12.508 -19.889 -2.180 1.00 0.00 H new ATOM 0 HA ILE A 53 12.770 -17.729 -0.279 1.00 0.00 H new ATOM 0 HB ILE A 53 11.448 -19.867 -0.083 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.933 -18.391 1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.601 -20.062 2.265 1.00 0.00 H new ATOM 0 HG21 ILE A 53 12.618 -21.907 0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.070 -21.496 -0.905 1.00 0.00 H new ATOM 0 HG23 ILE A 53 14.179 -21.118 0.435 1.00 0.00 H new ATOM 0 HD11 ILE A 53 13.358 -19.147 3.671 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.998 -20.458 2.651 1.00 0.00 H new ATOM 0 HD13 ILE A 53 14.335 -18.761 2.235 1.00 0.00 H new ATOM 861 N ASN A 54 15.455 -19.362 -1.244 1.00 0.00 N ATOM 862 CA ASN A 54 16.928 -19.413 -1.214 1.00 0.00 C ATOM 863 C ASN A 54 17.561 -18.127 -1.790 1.00 0.00 C ATOM 864 O ASN A 54 18.615 -17.695 -1.309 1.00 0.00 O ATOM 865 CB ASN A 54 17.433 -20.680 -1.964 1.00 0.00 C ATOM 866 CG ASN A 54 18.960 -20.730 -2.140 1.00 0.00 C ATOM 867 OD1 ASN A 54 19.692 -21.150 -1.243 1.00 0.00 O ATOM 868 ND2 ASN A 54 19.443 -20.331 -3.314 1.00 0.00 N ATOM 0 H ASN A 54 15.043 -19.953 -1.966 1.00 0.00 H new ATOM 0 HA ASN A 54 17.243 -19.476 -0.173 1.00 0.00 H new ATOM 0 HB2 ASN A 54 17.110 -21.567 -1.418 1.00 0.00 H new ATOM 0 HB3 ASN A 54 16.962 -20.721 -2.946 1.00 0.00 H new ATOM 0 HD21 ASN A 54 20.447 -20.368 -3.492 1.00 0.00 H new ATOM 0 HD22 ASN A 54 18.809 -19.988 -4.036 1.00 0.00 H new ATOM 875 N LYS A 55 16.916 -17.501 -2.806 1.00 0.00 N ATOM 876 CA LYS A 55 17.454 -16.254 -3.415 1.00 0.00 C ATOM 877 C LYS A 55 17.296 -15.053 -2.452 1.00 0.00 C ATOM 878 O LYS A 55 17.890 -13.991 -2.685 1.00 0.00 O ATOM 879 CB LYS A 55 16.802 -15.915 -4.795 1.00 0.00 C ATOM 880 CG LYS A 55 15.377 -15.274 -4.749 1.00 0.00 C ATOM 881 CD LYS A 55 15.223 -14.065 -5.717 1.00 0.00 C ATOM 882 CE LYS A 55 15.303 -14.431 -7.206 1.00 0.00 C ATOM 883 NZ LYS A 55 14.055 -15.063 -7.700 1.00 0.00 N ATOM 0 H LYS A 55 16.041 -17.829 -3.215 1.00 0.00 H new ATOM 0 HA LYS A 55 18.513 -16.441 -3.594 1.00 0.00 H new ATOM 0 HB2 LYS A 55 17.466 -15.235 -5.329 1.00 0.00 H new ATOM 0 HB3 LYS A 55 16.746 -16.832 -5.381 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.635 -16.032 -5.002 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.164 -14.947 -3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.265 -13.581 -5.525 1.00 0.00 H new ATOM 0 HD3 LYS A 55 16.000 -13.334 -5.493 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.507 -13.532 -7.788 1.00 0.00 H new ATOM 0 HE3 LYS A 55 16.140 -15.111 -7.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.283 -15.965 -8.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.414 -15.238 -6.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.592 -14.429 -8.382 1.00 0.00 H new ATOM 897 N LEU A 56 16.470 -15.223 -1.390 1.00 0.00 N ATOM 898 CA LEU A 56 16.294 -14.200 -0.341 1.00 0.00 C ATOM 899 C LEU A 56 17.530 -14.135 0.576 1.00 0.00 C ATOM 900 O LEU A 56 17.710 -13.145 1.278 1.00 0.00 O ATOM 901 CB LEU A 56 15.026 -14.485 0.505 1.00 0.00 C ATOM 902 CG LEU A 56 13.675 -14.597 -0.273 1.00 0.00 C ATOM 903 CD1 LEU A 56 12.494 -14.761 0.699 1.00 0.00 C ATOM 904 CD2 LEU A 56 13.455 -13.395 -1.215 1.00 0.00 C ATOM 0 H LEU A 56 15.915 -16.065 -1.241 1.00 0.00 H new ATOM 0 HA LEU A 56 16.174 -13.237 -0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 56 15.183 -15.415 1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.927 -13.693 1.247 1.00 0.00 H new ATOM 0 HG LEU A 56 13.730 -15.490 -0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.565 -14.837 0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.633 -15.665 1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.446 -13.897 1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.505 -13.511 -1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.439 -12.474 -0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.266 -13.350 -1.942 1.00 0.00 H new ATOM 916 N PHE A 57 18.360 -15.200 0.578 1.00 0.00 N ATOM 917 CA PHE A 57 19.632 -15.217 1.327 1.00 0.00 C ATOM 918 C PHE A 57 20.618 -14.193 0.761 1.00 0.00 C ATOM 919 O PHE A 57 20.685 -13.983 -0.456 1.00 0.00 O ATOM 920 CB PHE A 57 20.274 -16.633 1.348 1.00 0.00 C ATOM 921 CG PHE A 57 19.666 -17.536 2.409 1.00 0.00 C ATOM 922 CD1 PHE A 57 18.467 -18.200 2.180 1.00 0.00 C ATOM 923 CD2 PHE A 57 20.283 -17.689 3.655 1.00 0.00 C ATOM 924 CE1 PHE A 57 17.904 -18.988 3.157 1.00 0.00 C ATOM 925 CE2 PHE A 57 19.713 -18.473 4.633 1.00 0.00 C ATOM 926 CZ PHE A 57 18.527 -19.125 4.383 1.00 0.00 C ATOM 0 H PHE A 57 18.169 -16.062 0.067 1.00 0.00 H new ATOM 0 HA PHE A 57 19.399 -14.943 2.356 1.00 0.00 H new ATOM 0 HB2 PHE A 57 20.153 -17.097 0.369 1.00 0.00 H new ATOM 0 HB3 PHE A 57 21.345 -16.539 1.527 1.00 0.00 H new ATOM 0 HD1 PHE A 57 17.972 -18.096 1.226 1.00 0.00 H new ATOM 0 HD2 PHE A 57 21.218 -17.186 3.852 1.00 0.00 H new ATOM 0 HE1 PHE A 57 16.973 -19.501 2.965 1.00 0.00 H new ATOM 0 HE2 PHE A 57 20.195 -18.576 5.594 1.00 0.00 H new ATOM 0 HZ PHE A 57 18.082 -19.745 5.147 1.00 0.00 H new ATOM 936 N ASN A 58 21.381 -13.581 1.679 1.00 0.00 N ATOM 937 CA ASN A 58 22.340 -12.516 1.387 1.00 0.00 C ATOM 938 C ASN A 58 23.527 -13.095 0.597 1.00 0.00 C ATOM 939 O ASN A 58 24.521 -13.546 1.184 1.00 0.00 O ATOM 940 CB ASN A 58 22.800 -11.865 2.726 1.00 0.00 C ATOM 941 CG ASN A 58 23.587 -10.572 2.540 1.00 0.00 C ATOM 942 OD1 ASN A 58 24.813 -10.584 2.420 1.00 0.00 O ATOM 943 ND2 ASN A 58 22.887 -9.443 2.534 1.00 0.00 N ATOM 0 H ASN A 58 21.344 -13.823 2.669 1.00 0.00 H new ATOM 0 HA ASN A 58 21.878 -11.743 0.773 1.00 0.00 H new ATOM 0 HB2 ASN A 58 21.923 -11.661 3.341 1.00 0.00 H new ATOM 0 HB3 ASN A 58 23.415 -12.579 3.274 1.00 0.00 H new ATOM 0 HD21 ASN A 58 23.364 -8.548 2.428 1.00 0.00 H new ATOM 0 HD22 ASN A 58 21.872 -9.471 2.636 1.00 0.00 H new ATOM 950 N THR A 59 23.369 -13.138 -0.739 1.00 0.00 N ATOM 951 CA THR A 59 24.354 -13.704 -1.668 1.00 0.00 C ATOM 952 C THR A 59 25.506 -12.703 -1.935 1.00 0.00 C ATOM 953 O THR A 59 25.657 -12.162 -3.037 1.00 0.00 O ATOM 954 CB THR A 59 23.651 -14.155 -3.003 1.00 0.00 C ATOM 955 OG1 THR A 59 22.890 -13.067 -3.559 1.00 0.00 O ATOM 956 CG2 THR A 59 22.712 -15.360 -2.786 1.00 0.00 C ATOM 0 H THR A 59 22.539 -12.774 -1.207 1.00 0.00 H new ATOM 0 HA THR A 59 24.797 -14.588 -1.209 1.00 0.00 H new ATOM 0 HB THR A 59 24.441 -14.454 -3.692 1.00 0.00 H new ATOM 0 HG1 THR A 59 23.325 -12.748 -4.377 1.00 0.00 H new ATOM 0 HG21 THR A 59 22.249 -15.636 -3.734 1.00 0.00 H new ATOM 0 HG22 THR A 59 23.286 -16.204 -2.403 1.00 0.00 H new ATOM 0 HG23 THR A 59 21.937 -15.092 -2.068 1.00 0.00 H new ATOM 964 N HIS A 60 26.287 -12.433 -0.874 1.00 0.00 N ATOM 965 CA HIS A 60 27.486 -11.568 -0.917 1.00 0.00 C ATOM 966 C HIS A 60 28.734 -12.368 -0.503 1.00 0.00 C ATOM 967 O HIS A 60 29.836 -11.808 -0.406 1.00 0.00 O ATOM 968 CB HIS A 60 27.298 -10.332 0.010 1.00 0.00 C ATOM 969 CG HIS A 60 26.317 -9.318 -0.515 1.00 0.00 C ATOM 970 ND1 HIS A 60 26.704 -8.186 -1.198 1.00 0.00 N ATOM 971 CD2 HIS A 60 24.967 -9.270 -0.455 1.00 0.00 C ATOM 972 CE1 HIS A 60 25.639 -7.492 -1.532 1.00 0.00 C ATOM 973 NE2 HIS A 60 24.570 -8.123 -1.085 1.00 0.00 N ATOM 0 H HIS A 60 26.102 -12.814 0.054 1.00 0.00 H new ATOM 0 HA HIS A 60 27.624 -11.213 -1.938 1.00 0.00 H new ATOM 0 HB2 HIS A 60 26.964 -10.673 0.990 1.00 0.00 H new ATOM 0 HB3 HIS A 60 28.264 -9.848 0.154 1.00 0.00 H new ATOM 0 HD2 HIS A 60 24.321 -10.003 0.006 1.00 0.00 H new ATOM 0 HE1 HIS A 60 25.639 -6.562 -2.080 1.00 0.00 H new ATOM 0 HE2 HIS A 60 23.606 -7.807 -1.192 1.00 0.00 H new ATOM 982 N GLY A 61 28.546 -13.678 -0.254 1.00 0.00 N ATOM 983 CA GLY A 61 29.620 -14.568 0.182 1.00 0.00 C ATOM 984 C GLY A 61 29.808 -14.552 1.690 1.00 0.00 C ATOM 985 O GLY A 61 29.524 -15.554 2.351 1.00 0.00 O ATOM 0 H GLY A 61 27.643 -14.142 -0.352 1.00 0.00 H new ATOM 0 HA2 GLY A 61 29.400 -15.585 -0.143 1.00 0.00 H new ATOM 0 HA3 GLY A 61 30.552 -14.273 -0.301 1.00 0.00 H new ATOM 989 N ALA A 62 30.201 -13.362 2.213 1.00 0.00 N ATOM 990 CA ALA A 62 30.729 -13.152 3.584 1.00 0.00 C ATOM 991 C ALA A 62 30.073 -14.031 4.683 1.00 0.00 C ATOM 992 O ALA A 62 30.666 -15.030 5.082 1.00 0.00 O ATOM 993 CB ALA A 62 30.652 -11.660 3.953 1.00 0.00 C ATOM 0 H ALA A 62 30.157 -12.497 1.675 1.00 0.00 H new ATOM 0 HA ALA A 62 31.768 -13.480 3.554 1.00 0.00 H new ATOM 0 HB1 ALA A 62 31.041 -11.514 4.961 1.00 0.00 H new ATOM 0 HB2 ALA A 62 31.246 -11.079 3.247 1.00 0.00 H new ATOM 0 HB3 ALA A 62 29.614 -11.328 3.913 1.00 0.00 H new ATOM 999 N LYS A 63 28.845 -13.686 5.137 1.00 0.00 N ATOM 1000 CA LYS A 63 28.185 -14.420 6.255 1.00 0.00 C ATOM 1001 C LYS A 63 27.723 -15.821 5.815 1.00 0.00 C ATOM 1002 O LYS A 63 27.756 -16.770 6.601 1.00 0.00 O ATOM 1003 CB LYS A 63 26.991 -13.635 6.840 1.00 0.00 C ATOM 1004 CG LYS A 63 27.320 -12.188 7.272 1.00 0.00 C ATOM 1005 CD LYS A 63 26.131 -11.489 7.969 1.00 0.00 C ATOM 1006 CE LYS A 63 24.872 -11.413 7.085 1.00 0.00 C ATOM 1007 NZ LYS A 63 25.063 -10.564 5.877 1.00 0.00 N ATOM 0 H LYS A 63 28.294 -12.917 4.756 1.00 0.00 H new ATOM 0 HA LYS A 63 28.937 -14.528 7.037 1.00 0.00 H new ATOM 0 HB2 LYS A 63 26.194 -13.606 6.097 1.00 0.00 H new ATOM 0 HB3 LYS A 63 26.604 -14.178 7.702 1.00 0.00 H new ATOM 0 HG2 LYS A 63 28.176 -12.200 7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 63 27.614 -11.609 6.396 1.00 0.00 H new ATOM 0 HD2 LYS A 63 25.891 -12.024 8.888 1.00 0.00 H new ATOM 0 HD3 LYS A 63 26.428 -10.480 8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 63 24.591 -12.419 6.775 1.00 0.00 H new ATOM 0 HE3 LYS A 63 24.044 -11.018 7.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 24.136 -10.270 5.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 25.618 -9.721 6.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 25.569 -11.106 5.148 1.00 0.00 H new ATOM 1021 N TYR A 64 27.315 -15.930 4.544 1.00 0.00 N ATOM 1022 CA TYR A 64 26.858 -17.197 3.919 1.00 0.00 C ATOM 1023 C TYR A 64 27.931 -18.323 4.040 1.00 0.00 C ATOM 1024 O TYR A 64 27.583 -19.511 4.086 1.00 0.00 O ATOM 1025 CB TYR A 64 26.506 -16.908 2.430 1.00 0.00 C ATOM 1026 CG TYR A 64 25.637 -17.967 1.740 1.00 0.00 C ATOM 1027 CD1 TYR A 64 24.243 -17.941 1.869 1.00 0.00 C ATOM 1028 CD2 TYR A 64 26.194 -18.982 0.951 1.00 0.00 C ATOM 1029 CE1 TYR A 64 23.449 -18.883 1.250 1.00 0.00 C ATOM 1030 CE2 TYR A 64 25.397 -19.930 0.329 1.00 0.00 C ATOM 1031 CZ TYR A 64 24.028 -19.874 0.478 1.00 0.00 C ATOM 1032 OH TYR A 64 23.227 -20.813 -0.141 1.00 0.00 O ATOM 0 H TYR A 64 27.289 -15.135 3.905 1.00 0.00 H new ATOM 0 HA TYR A 64 25.975 -17.561 4.444 1.00 0.00 H new ATOM 0 HB2 TYR A 64 25.991 -15.949 2.376 1.00 0.00 H new ATOM 0 HB3 TYR A 64 27.435 -16.803 1.869 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.781 -17.168 2.465 1.00 0.00 H new ATOM 0 HD2 TYR A 64 27.266 -19.027 0.825 1.00 0.00 H new ATOM 0 HE1 TYR A 64 22.376 -18.847 1.368 1.00 0.00 H new ATOM 0 HE2 TYR A 64 25.846 -20.709 -0.269 1.00 0.00 H new ATOM 0 HH TYR A 64 23.746 -21.287 -0.824 1.00 0.00 H new ATOM 1042 N ARG A 65 29.227 -17.923 4.134 1.00 0.00 N ATOM 1043 CA ARG A 65 30.373 -18.861 4.292 1.00 0.00 C ATOM 1044 C ARG A 65 31.048 -18.697 5.672 1.00 0.00 C ATOM 1045 O ARG A 65 31.799 -19.580 6.102 1.00 0.00 O ATOM 1046 CB ARG A 65 31.404 -18.698 3.119 1.00 0.00 C ATOM 1047 CG ARG A 65 32.069 -17.292 2.957 1.00 0.00 C ATOM 1048 CD ARG A 65 33.306 -17.066 3.850 1.00 0.00 C ATOM 1049 NE ARG A 65 33.783 -15.666 3.811 1.00 0.00 N ATOM 1050 CZ ARG A 65 34.043 -14.907 4.890 1.00 0.00 C ATOM 1051 NH1 ARG A 65 33.869 -15.372 6.120 1.00 0.00 N ATOM 1052 NH2 ARG A 65 34.480 -13.670 4.729 1.00 0.00 N ATOM 0 H ARG A 65 29.507 -16.943 4.103 1.00 0.00 H new ATOM 0 HA ARG A 65 29.981 -19.877 4.244 1.00 0.00 H new ATOM 0 HB2 ARG A 65 32.196 -19.435 3.257 1.00 0.00 H new ATOM 0 HB3 ARG A 65 30.899 -18.945 2.185 1.00 0.00 H new ATOM 0 HG2 ARG A 65 32.359 -17.159 1.915 1.00 0.00 H new ATOM 0 HG3 ARG A 65 31.328 -16.525 3.182 1.00 0.00 H new ATOM 0 HD2 ARG A 65 33.063 -17.335 4.878 1.00 0.00 H new ATOM 0 HD3 ARG A 65 34.109 -17.729 3.528 1.00 0.00 H new ATOM 0 HE ARG A 65 33.926 -15.243 2.894 1.00 0.00 H new ATOM 0 HH11 ARG A 65 33.531 -16.324 6.262 1.00 0.00 H new ATOM 0 HH12 ARG A 65 34.073 -14.778 6.923 1.00 0.00 H new ATOM 0 HH21 ARG A 65 34.618 -13.296 3.790 1.00 0.00 H new ATOM 0 HH22 ARG A 65 34.679 -13.089 5.544 1.00 0.00 H new ATOM 1066 N GLU A 66 30.789 -17.553 6.349 1.00 0.00 N ATOM 1067 CA GLU A 66 31.309 -17.272 7.714 1.00 0.00 C ATOM 1068 C GLU A 66 30.649 -18.216 8.723 1.00 0.00 C ATOM 1069 O GLU A 66 31.320 -18.926 9.481 1.00 0.00 O ATOM 1070 CB GLU A 66 31.037 -15.790 8.110 1.00 0.00 C ATOM 1071 CG GLU A 66 31.594 -15.363 9.483 1.00 0.00 C ATOM 1072 CD GLU A 66 33.130 -15.423 9.558 1.00 0.00 C ATOM 1073 OE1 GLU A 66 33.793 -14.541 8.968 1.00 0.00 O ATOM 1074 OE2 GLU A 66 33.679 -16.342 10.200 1.00 0.00 O ATOM 0 H GLU A 66 30.216 -16.800 5.968 1.00 0.00 H new ATOM 0 HA GLU A 66 32.386 -17.437 7.719 1.00 0.00 H new ATOM 0 HB2 GLU A 66 31.465 -15.142 7.345 1.00 0.00 H new ATOM 0 HB3 GLU A 66 29.960 -15.621 8.105 1.00 0.00 H new ATOM 0 HG2 GLU A 66 31.265 -14.347 9.701 1.00 0.00 H new ATOM 0 HG3 GLU A 66 31.173 -16.007 10.255 1.00 0.00 H new ATOM 1081 N LEU A 67 29.311 -18.197 8.686 1.00 0.00 N ATOM 1082 CA LEU A 67 28.456 -19.139 9.422 1.00 0.00 C ATOM 1083 C LEU A 67 28.537 -20.511 8.723 1.00 0.00 C ATOM 1084 O LEU A 67 28.434 -21.566 9.359 1.00 0.00 O ATOM 1085 CB LEU A 67 26.980 -18.627 9.433 1.00 0.00 C ATOM 1086 CG LEU A 67 26.779 -17.084 9.610 1.00 0.00 C ATOM 1087 CD1 LEU A 67 25.289 -16.701 9.574 1.00 0.00 C ATOM 1088 CD2 LEU A 67 27.464 -16.551 10.887 1.00 0.00 C ATOM 0 H LEU A 67 28.784 -17.518 8.137 1.00 0.00 H new ATOM 0 HA LEU A 67 28.794 -19.225 10.455 1.00 0.00 H new ATOM 0 HB2 LEU A 67 26.507 -18.928 8.498 1.00 0.00 H new ATOM 0 HB3 LEU A 67 26.448 -19.135 10.237 1.00 0.00 H new ATOM 0 HG LEU A 67 27.266 -16.603 8.761 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.187 -15.623 9.700 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.860 -16.997 8.616 1.00 0.00 H new ATOM 0 HD13 LEU A 67 24.762 -17.212 10.380 1.00 0.00 H new ATOM 0 HD21 LEU A 67 27.298 -15.477 10.968 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.044 -17.050 11.760 1.00 0.00 H new ATOM 0 HD23 LEU A 67 28.535 -16.750 10.836 1.00 0.00 H new ATOM 1100 N ASP A 68 28.747 -20.425 7.387 1.00 0.00 N ATOM 1101 CA ASP A 68 28.708 -21.544 6.442 1.00 0.00 C ATOM 1102 C ASP A 68 27.342 -22.220 6.549 1.00 0.00 C ATOM 1103 O ASP A 68 27.211 -23.385 6.946 1.00 0.00 O ATOM 1104 CB ASP A 68 29.909 -22.516 6.618 1.00 0.00 C ATOM 1105 CG ASP A 68 30.119 -23.434 5.394 1.00 0.00 C ATOM 1106 OD1 ASP A 68 30.814 -23.020 4.444 1.00 0.00 O ATOM 1107 OD2 ASP A 68 29.598 -24.568 5.372 1.00 0.00 O ATOM 0 H ASP A 68 28.955 -19.537 6.931 1.00 0.00 H new ATOM 0 HA ASP A 68 28.825 -21.171 5.425 1.00 0.00 H new ATOM 0 HB2 ASP A 68 30.816 -21.938 6.793 1.00 0.00 H new ATOM 0 HB3 ASP A 68 29.747 -23.130 7.504 1.00 0.00 H new ATOM 1112 N LEU A 69 26.315 -21.398 6.266 1.00 0.00 N ATOM 1113 CA LEU A 69 24.915 -21.811 6.322 1.00 0.00 C ATOM 1114 C LEU A 69 24.639 -22.933 5.331 1.00 0.00 C ATOM 1115 O LEU A 69 23.831 -23.791 5.617 1.00 0.00 O ATOM 1116 CB LEU A 69 23.966 -20.618 6.036 1.00 0.00 C ATOM 1117 CG LEU A 69 23.890 -19.516 7.132 1.00 0.00 C ATOM 1118 CD1 LEU A 69 22.957 -18.371 6.690 1.00 0.00 C ATOM 1119 CD2 LEU A 69 23.443 -20.109 8.487 1.00 0.00 C ATOM 0 H LEU A 69 26.442 -20.424 5.991 1.00 0.00 H new ATOM 0 HA LEU A 69 24.724 -22.175 7.332 1.00 0.00 H new ATOM 0 HB2 LEU A 69 24.277 -20.150 5.102 1.00 0.00 H new ATOM 0 HB3 LEU A 69 22.962 -21.011 5.876 1.00 0.00 H new ATOM 0 HG LEU A 69 24.890 -19.103 7.267 1.00 0.00 H new ATOM 0 HD11 LEU A 69 22.918 -17.611 7.471 1.00 0.00 H new ATOM 0 HD12 LEU A 69 23.337 -17.927 5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 69 21.955 -18.764 6.516 1.00 0.00 H new ATOM 0 HD21 LEU A 69 23.399 -19.317 9.234 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.457 -20.561 8.379 1.00 0.00 H new ATOM 0 HD23 LEU A 69 24.157 -20.868 8.805 1.00 0.00 H new ATOM 1131 N LYS A 70 25.318 -22.919 4.169 1.00 0.00 N ATOM 1132 CA LYS A 70 25.060 -23.883 3.078 1.00 0.00 C ATOM 1133 C LYS A 70 25.219 -25.359 3.551 1.00 0.00 C ATOM 1134 O LYS A 70 24.530 -26.258 3.038 1.00 0.00 O ATOM 1135 CB LYS A 70 25.945 -23.565 1.841 1.00 0.00 C ATOM 1136 CG LYS A 70 25.653 -24.437 0.595 1.00 0.00 C ATOM 1137 CD LYS A 70 24.160 -24.403 0.162 1.00 0.00 C ATOM 1138 CE LYS A 70 23.833 -25.426 -0.945 1.00 0.00 C ATOM 1139 NZ LYS A 70 24.576 -25.164 -2.209 1.00 0.00 N ATOM 0 H LYS A 70 26.055 -22.246 3.959 1.00 0.00 H new ATOM 0 HA LYS A 70 24.019 -23.771 2.776 1.00 0.00 H new ATOM 0 HB2 LYS A 70 25.809 -22.517 1.574 1.00 0.00 H new ATOM 0 HB3 LYS A 70 26.992 -23.690 2.118 1.00 0.00 H new ATOM 0 HG2 LYS A 70 26.273 -24.095 -0.234 1.00 0.00 H new ATOM 0 HG3 LYS A 70 25.941 -25.467 0.805 1.00 0.00 H new ATOM 0 HD2 LYS A 70 23.531 -24.601 1.030 1.00 0.00 H new ATOM 0 HD3 LYS A 70 23.912 -23.402 -0.191 1.00 0.00 H new ATOM 0 HE2 LYS A 70 24.072 -26.428 -0.589 1.00 0.00 H new ATOM 0 HE3 LYS A 70 22.762 -25.406 -1.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 24.319 -25.880 -2.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 24.330 -24.219 -2.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 25.599 -25.210 -2.026 1.00 0.00 H new ATOM 1153 N ASN A 71 26.073 -25.563 4.578 1.00 0.00 N ATOM 1154 CA ASN A 71 26.264 -26.874 5.229 1.00 0.00 C ATOM 1155 C ASN A 71 24.929 -27.418 5.802 1.00 0.00 C ATOM 1156 O ASN A 71 24.656 -28.624 5.706 1.00 0.00 O ATOM 1157 CB ASN A 71 27.338 -26.766 6.345 1.00 0.00 C ATOM 1158 CG ASN A 71 27.683 -28.109 7.002 1.00 0.00 C ATOM 1159 OD1 ASN A 71 27.138 -28.465 8.045 1.00 0.00 O ATOM 1160 ND2 ASN A 71 28.576 -28.870 6.388 1.00 0.00 N ATOM 0 H ASN A 71 26.649 -24.822 4.978 1.00 0.00 H new ATOM 0 HA ASN A 71 26.611 -27.581 4.475 1.00 0.00 H new ATOM 0 HB2 ASN A 71 28.246 -26.335 5.923 1.00 0.00 H new ATOM 0 HB3 ASN A 71 26.984 -26.077 7.112 1.00 0.00 H new ATOM 0 HD21 ASN A 71 28.828 -29.778 6.779 1.00 0.00 H new ATOM 0 HD22 ASN A 71 29.012 -28.549 5.524 1.00 0.00 H new ATOM 1167 N LYS A 72 24.099 -26.525 6.401 1.00 0.00 N ATOM 1168 CA LYS A 72 22.741 -26.895 6.855 1.00 0.00 C ATOM 1169 C LYS A 72 21.721 -26.733 5.703 1.00 0.00 C ATOM 1170 O LYS A 72 20.829 -27.557 5.581 1.00 0.00 O ATOM 1171 CB LYS A 72 22.297 -26.101 8.131 1.00 0.00 C ATOM 1172 CG LYS A 72 21.997 -24.604 7.937 1.00 0.00 C ATOM 1173 CD LYS A 72 21.594 -23.870 9.251 1.00 0.00 C ATOM 1174 CE LYS A 72 20.136 -24.128 9.707 1.00 0.00 C ATOM 1175 NZ LYS A 72 19.903 -25.489 10.268 1.00 0.00 N ATOM 0 H LYS A 72 24.348 -25.552 6.578 1.00 0.00 H new ATOM 0 HA LYS A 72 22.771 -27.945 7.144 1.00 0.00 H new ATOM 0 HB2 LYS A 72 21.405 -26.578 8.537 1.00 0.00 H new ATOM 0 HB3 LYS A 72 23.080 -26.198 8.883 1.00 0.00 H new ATOM 0 HG2 LYS A 72 22.877 -24.118 7.515 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.193 -24.495 7.209 1.00 0.00 H new ATOM 0 HD2 LYS A 72 22.271 -24.179 10.048 1.00 0.00 H new ATOM 0 HD3 LYS A 72 21.734 -22.798 9.112 1.00 0.00 H new ATOM 0 HE2 LYS A 72 19.866 -23.386 10.459 1.00 0.00 H new ATOM 0 HE3 LYS A 72 19.470 -23.978 8.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 19.216 -25.431 11.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 19.530 -26.112 9.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 20.800 -25.875 10.626 1.00 0.00 H new ATOM 1189 N LEU A 73 21.909 -25.709 4.816 1.00 0.00 N ATOM 1190 CA LEU A 73 20.906 -25.315 3.773 1.00 0.00 C ATOM 1191 C LEU A 73 20.643 -26.443 2.761 1.00 0.00 C ATOM 1192 O LEU A 73 19.552 -26.528 2.195 1.00 0.00 O ATOM 1193 CB LEU A 73 21.311 -24.025 2.994 1.00 0.00 C ATOM 1194 CG LEU A 73 21.463 -22.700 3.809 1.00 0.00 C ATOM 1195 CD1 LEU A 73 21.634 -21.480 2.885 1.00 0.00 C ATOM 1196 CD2 LEU A 73 20.312 -22.487 4.793 1.00 0.00 C ATOM 0 H LEU A 73 22.753 -25.137 4.803 1.00 0.00 H new ATOM 0 HA LEU A 73 19.992 -25.111 4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 73 22.259 -24.220 2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 73 20.567 -23.856 2.216 1.00 0.00 H new ATOM 0 HG LEU A 73 22.374 -22.803 4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 73 21.737 -20.578 3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 73 22.526 -21.610 2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.761 -21.387 2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.464 -21.553 5.335 1.00 0.00 H new ATOM 0 HD22 LEU A 73 19.370 -22.440 4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 73 20.280 -23.316 5.500 1.00 0.00 H new ATOM 1208 N GLN A 74 21.650 -27.287 2.553 1.00 0.00 N ATOM 1209 CA GLN A 74 21.577 -28.412 1.609 1.00 0.00 C ATOM 1210 C GLN A 74 20.668 -29.558 2.130 1.00 0.00 C ATOM 1211 O GLN A 74 20.158 -30.352 1.332 1.00 0.00 O ATOM 1212 CB GLN A 74 23.017 -28.931 1.338 1.00 0.00 C ATOM 1213 CG GLN A 74 23.723 -29.552 2.568 1.00 0.00 C ATOM 1214 CD GLN A 74 25.182 -29.929 2.318 1.00 0.00 C ATOM 1215 OE1 GLN A 74 26.096 -29.144 2.570 1.00 0.00 O ATOM 1216 NE2 GLN A 74 25.412 -31.121 1.801 1.00 0.00 N ATOM 0 H GLN A 74 22.546 -27.214 3.034 1.00 0.00 H new ATOM 0 HA GLN A 74 21.126 -28.058 0.682 1.00 0.00 H new ATOM 0 HB2 GLN A 74 22.976 -29.677 0.544 1.00 0.00 H new ATOM 0 HB3 GLN A 74 23.623 -28.104 0.967 1.00 0.00 H new ATOM 0 HG2 GLN A 74 23.677 -28.845 3.396 1.00 0.00 H new ATOM 0 HG3 GLN A 74 23.176 -30.442 2.878 1.00 0.00 H new ATOM 0 HE21 GLN A 74 24.634 -31.750 1.603 1.00 0.00 H new ATOM 0 HE22 GLN A 74 26.368 -31.414 1.599 1.00 0.00 H new ATOM 1225 N THR A 75 20.454 -29.618 3.467 1.00 0.00 N ATOM 1226 CA THR A 75 19.866 -30.801 4.139 1.00 0.00 C ATOM 1227 C THR A 75 18.687 -30.455 5.104 1.00 0.00 C ATOM 1228 O THR A 75 18.019 -31.368 5.601 1.00 0.00 O ATOM 1229 CB THR A 75 21.004 -31.589 4.892 1.00 0.00 C ATOM 1230 OG1 THR A 75 20.500 -32.816 5.450 1.00 0.00 O ATOM 1231 CG2 THR A 75 21.661 -30.750 6.007 1.00 0.00 C ATOM 0 H THR A 75 20.682 -28.855 4.104 1.00 0.00 H new ATOM 0 HA THR A 75 19.426 -31.428 3.364 1.00 0.00 H new ATOM 0 HB THR A 75 21.766 -31.815 4.146 1.00 0.00 H new ATOM 0 HG1 THR A 75 19.523 -32.768 5.517 1.00 0.00 H new ATOM 0 HG21 THR A 75 22.438 -31.338 6.495 1.00 0.00 H new ATOM 0 HG22 THR A 75 22.103 -29.852 5.574 1.00 0.00 H new ATOM 0 HG23 THR A 75 20.907 -30.466 6.741 1.00 0.00 H new ATOM 1239 N LEU A 76 18.422 -29.154 5.359 1.00 0.00 N ATOM 1240 CA LEU A 76 17.347 -28.718 6.300 1.00 0.00 C ATOM 1241 C LEU A 76 15.922 -28.759 5.679 1.00 0.00 C ATOM 1242 O LEU A 76 15.703 -29.307 4.592 1.00 0.00 O ATOM 1243 CB LEU A 76 17.653 -27.286 6.863 1.00 0.00 C ATOM 1244 CG LEU A 76 18.117 -26.158 5.869 1.00 0.00 C ATOM 1245 CD1 LEU A 76 17.309 -26.070 4.565 1.00 0.00 C ATOM 1246 CD2 LEU A 76 18.163 -24.793 6.578 1.00 0.00 C ATOM 0 H LEU A 76 18.933 -28.383 4.930 1.00 0.00 H new ATOM 0 HA LEU A 76 17.349 -29.441 7.116 1.00 0.00 H new ATOM 0 HB2 LEU A 76 16.754 -26.931 7.366 1.00 0.00 H new ATOM 0 HB3 LEU A 76 18.425 -27.390 7.626 1.00 0.00 H new ATOM 0 HG LEU A 76 19.121 -26.447 5.559 1.00 0.00 H new ATOM 0 HD11 LEU A 76 17.703 -25.264 3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 76 17.386 -27.013 4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 76 16.263 -25.870 4.798 1.00 0.00 H new ATOM 0 HD21 LEU A 76 18.486 -24.027 5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 76 17.170 -24.545 6.954 1.00 0.00 H new ATOM 0 HD23 LEU A 76 18.865 -24.839 7.411 1.00 0.00 H new ATOM 1258 N SER A 77 14.961 -28.170 6.418 1.00 0.00 N ATOM 1259 CA SER A 77 13.634 -27.800 5.899 1.00 0.00 C ATOM 1260 C SER A 77 13.663 -26.340 5.406 1.00 0.00 C ATOM 1261 O SER A 77 14.444 -25.520 5.912 1.00 0.00 O ATOM 1262 CB SER A 77 12.560 -27.956 6.995 1.00 0.00 C ATOM 1263 OG SER A 77 11.277 -27.575 6.523 1.00 0.00 O ATOM 0 H SER A 77 15.088 -27.936 7.403 1.00 0.00 H new ATOM 0 HA SER A 77 13.384 -28.463 5.071 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.532 -28.992 7.333 1.00 0.00 H new ATOM 0 HB3 SER A 77 12.828 -27.346 7.858 1.00 0.00 H new ATOM 0 HG SER A 77 10.618 -27.687 7.240 1.00 0.00 H new ATOM 1269 N ASP A 78 12.783 -26.011 4.439 1.00 0.00 N ATOM 1270 CA ASP A 78 12.605 -24.624 3.943 1.00 0.00 C ATOM 1271 C ASP A 78 12.170 -23.687 5.084 1.00 0.00 C ATOM 1272 O ASP A 78 12.463 -22.490 5.048 1.00 0.00 O ATOM 1273 CB ASP A 78 11.563 -24.574 2.798 1.00 0.00 C ATOM 1274 CG ASP A 78 12.047 -25.267 1.514 1.00 0.00 C ATOM 1275 OD1 ASP A 78 12.714 -24.608 0.685 1.00 0.00 O ATOM 1276 OD2 ASP A 78 11.797 -26.481 1.345 1.00 0.00 O ATOM 0 H ASP A 78 12.178 -26.692 3.980 1.00 0.00 H new ATOM 0 HA ASP A 78 13.566 -24.286 3.556 1.00 0.00 H new ATOM 0 HB2 ASP A 78 10.640 -25.047 3.133 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.326 -23.534 2.575 1.00 0.00 H new ATOM 1281 N ASP A 79 11.489 -24.273 6.097 1.00 0.00 N ATOM 1282 CA ASP A 79 11.057 -23.569 7.319 1.00 0.00 C ATOM 1283 C ASP A 79 12.268 -23.034 8.116 1.00 0.00 C ATOM 1284 O ASP A 79 12.212 -21.934 8.658 1.00 0.00 O ATOM 1285 CB ASP A 79 10.190 -24.506 8.201 1.00 0.00 C ATOM 1286 CG ASP A 79 9.545 -23.780 9.403 1.00 0.00 C ATOM 1287 OD1 ASP A 79 8.498 -23.123 9.223 1.00 0.00 O ATOM 1288 OD2 ASP A 79 10.075 -23.873 10.530 1.00 0.00 O ATOM 0 H ASP A 79 11.223 -25.258 6.085 1.00 0.00 H new ATOM 0 HA ASP A 79 10.453 -22.712 7.021 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.405 -24.949 7.588 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.809 -25.325 8.568 1.00 0.00 H new ATOM 1293 N GLU A 80 13.362 -23.818 8.151 1.00 0.00 N ATOM 1294 CA GLU A 80 14.617 -23.434 8.839 1.00 0.00 C ATOM 1295 C GLU A 80 15.338 -22.290 8.112 1.00 0.00 C ATOM 1296 O GLU A 80 15.966 -21.441 8.753 1.00 0.00 O ATOM 1297 CB GLU A 80 15.552 -24.647 8.978 1.00 0.00 C ATOM 1298 CG GLU A 80 15.037 -25.755 9.905 1.00 0.00 C ATOM 1299 CD GLU A 80 15.988 -26.953 9.978 1.00 0.00 C ATOM 1300 OE1 GLU A 80 17.169 -26.763 10.349 1.00 0.00 O ATOM 1301 OE2 GLU A 80 15.567 -28.083 9.647 1.00 0.00 O ATOM 0 H GLU A 80 13.405 -24.734 7.705 1.00 0.00 H new ATOM 0 HA GLU A 80 14.346 -23.079 9.833 1.00 0.00 H new ATOM 0 HB2 GLU A 80 15.723 -25.071 7.989 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.518 -24.303 9.348 1.00 0.00 H new ATOM 0 HG2 GLU A 80 14.894 -25.348 10.906 1.00 0.00 H new ATOM 0 HG3 GLU A 80 14.061 -26.092 9.555 1.00 0.00 H new ATOM 1308 N LYS A 81 15.253 -22.283 6.773 1.00 0.00 N ATOM 1309 CA LYS A 81 15.798 -21.180 5.958 1.00 0.00 C ATOM 1310 C LYS A 81 15.045 -19.873 6.268 1.00 0.00 C ATOM 1311 O LYS A 81 15.654 -18.802 6.391 1.00 0.00 O ATOM 1312 CB LYS A 81 15.746 -21.519 4.444 1.00 0.00 C ATOM 1313 CG LYS A 81 16.679 -22.668 4.016 1.00 0.00 C ATOM 1314 CD LYS A 81 17.045 -22.657 2.512 1.00 0.00 C ATOM 1315 CE LYS A 81 15.862 -22.972 1.595 1.00 0.00 C ATOM 1316 NZ LYS A 81 15.425 -24.388 1.719 1.00 0.00 N ATOM 0 H LYS A 81 14.813 -23.026 6.230 1.00 0.00 H new ATOM 0 HA LYS A 81 16.847 -21.042 6.219 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.722 -21.781 4.178 1.00 0.00 H new ATOM 0 HB3 LYS A 81 16.005 -20.626 3.875 1.00 0.00 H new ATOM 0 HG2 LYS A 81 17.596 -22.615 4.603 1.00 0.00 H new ATOM 0 HG3 LYS A 81 16.202 -23.618 4.256 1.00 0.00 H new ATOM 0 HD2 LYS A 81 17.447 -21.678 2.251 1.00 0.00 H new ATOM 0 HD3 LYS A 81 17.837 -23.384 2.333 1.00 0.00 H new ATOM 0 HE2 LYS A 81 15.029 -22.313 1.838 1.00 0.00 H new ATOM 0 HE3 LYS A 81 16.140 -22.767 0.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.445 -24.480 1.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 16.047 -24.995 1.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 15.477 -24.681 2.715 1.00 0.00 H new ATOM 1330 N LEU A 82 13.718 -20.004 6.426 1.00 0.00 N ATOM 1331 CA LEU A 82 12.832 -18.910 6.863 1.00 0.00 C ATOM 1332 C LEU A 82 13.248 -18.397 8.258 1.00 0.00 C ATOM 1333 O LEU A 82 13.261 -17.190 8.485 1.00 0.00 O ATOM 1334 CB LEU A 82 11.367 -19.408 6.886 1.00 0.00 C ATOM 1335 CG LEU A 82 10.748 -19.761 5.501 1.00 0.00 C ATOM 1336 CD1 LEU A 82 9.458 -20.591 5.641 1.00 0.00 C ATOM 1337 CD2 LEU A 82 10.474 -18.491 4.692 1.00 0.00 C ATOM 0 H LEU A 82 13.224 -20.880 6.253 1.00 0.00 H new ATOM 0 HA LEU A 82 12.918 -18.082 6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.314 -20.291 7.522 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.750 -18.641 7.353 1.00 0.00 H new ATOM 0 HG LEU A 82 11.478 -20.371 4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.060 -20.815 4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.679 -21.522 6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.720 -20.024 6.209 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.042 -18.760 3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.777 -17.855 5.238 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.408 -17.952 4.533 1.00 0.00 H new ATOM 1349 N GLU A 83 13.595 -19.342 9.178 1.00 0.00 N ATOM 1350 CA GLU A 83 14.047 -19.010 10.555 1.00 0.00 C ATOM 1351 C GLU A 83 15.299 -18.111 10.515 1.00 0.00 C ATOM 1352 O GLU A 83 15.357 -17.100 11.209 1.00 0.00 O ATOM 1353 CB GLU A 83 14.355 -20.290 11.397 1.00 0.00 C ATOM 1354 CG GLU A 83 13.180 -21.271 11.573 1.00 0.00 C ATOM 1355 CD GLU A 83 13.481 -22.425 12.550 1.00 0.00 C ATOM 1356 OE1 GLU A 83 14.312 -23.297 12.225 1.00 0.00 O ATOM 1357 OE2 GLU A 83 12.893 -22.464 13.654 1.00 0.00 O ATOM 0 H GLU A 83 13.569 -20.343 8.986 1.00 0.00 H new ATOM 0 HA GLU A 83 13.227 -18.476 11.036 1.00 0.00 H new ATOM 0 HB2 GLU A 83 15.182 -20.822 10.926 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.697 -19.980 12.384 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.309 -20.721 11.930 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.917 -21.688 10.601 1.00 0.00 H new ATOM 1364 N LEU A 84 16.275 -18.495 9.670 1.00 0.00 N ATOM 1365 CA LEU A 84 17.558 -17.766 9.506 1.00 0.00 C ATOM 1366 C LEU A 84 17.320 -16.327 9.012 1.00 0.00 C ATOM 1367 O LEU A 84 17.869 -15.364 9.572 1.00 0.00 O ATOM 1368 CB LEU A 84 18.469 -18.528 8.511 1.00 0.00 C ATOM 1369 CG LEU A 84 18.851 -19.981 8.928 1.00 0.00 C ATOM 1370 CD1 LEU A 84 19.566 -20.722 7.790 1.00 0.00 C ATOM 1371 CD2 LEU A 84 19.695 -19.991 10.220 1.00 0.00 C ATOM 0 H LEU A 84 16.200 -19.322 9.078 1.00 0.00 H new ATOM 0 HA LEU A 84 18.049 -17.711 10.478 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.969 -18.566 7.543 1.00 0.00 H new ATOM 0 HB3 LEU A 84 19.386 -17.955 8.373 1.00 0.00 H new ATOM 0 HG LEU A 84 17.924 -20.515 9.135 1.00 0.00 H new ATOM 0 HD11 LEU A 84 19.818 -21.732 8.115 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.910 -20.774 6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 84 20.478 -20.188 7.525 1.00 0.00 H new ATOM 0 HD21 LEU A 84 19.945 -21.019 10.484 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.612 -19.424 10.060 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.125 -19.537 11.031 1.00 0.00 H new ATOM 1383 N LEU A 85 16.476 -16.210 7.968 1.00 0.00 N ATOM 1384 CA LEU A 85 16.122 -14.914 7.356 1.00 0.00 C ATOM 1385 C LEU A 85 15.389 -14.002 8.371 1.00 0.00 C ATOM 1386 O LEU A 85 15.621 -12.797 8.409 1.00 0.00 O ATOM 1387 CB LEU A 85 15.227 -15.145 6.109 1.00 0.00 C ATOM 1388 CG LEU A 85 15.877 -15.921 4.918 1.00 0.00 C ATOM 1389 CD1 LEU A 85 14.848 -16.183 3.802 1.00 0.00 C ATOM 1390 CD2 LEU A 85 17.120 -15.189 4.370 1.00 0.00 C ATOM 0 H LEU A 85 16.021 -17.009 7.526 1.00 0.00 H new ATOM 0 HA LEU A 85 17.043 -14.416 7.053 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.336 -15.688 6.424 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.895 -14.174 5.743 1.00 0.00 H new ATOM 0 HG LEU A 85 16.212 -16.885 5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 85 15.326 -16.724 2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 85 14.025 -16.778 4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 85 14.464 -15.233 3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 85 17.543 -15.760 3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 85 16.833 -14.198 4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.863 -15.091 5.161 1.00 0.00 H new ATOM 1402 N SER A 86 14.509 -14.602 9.190 1.00 0.00 N ATOM 1403 CA SER A 86 13.696 -13.876 10.188 1.00 0.00 C ATOM 1404 C SER A 86 14.557 -13.401 11.375 1.00 0.00 C ATOM 1405 O SER A 86 14.327 -12.314 11.928 1.00 0.00 O ATOM 1406 CB SER A 86 12.553 -14.787 10.681 1.00 0.00 C ATOM 1407 OG SER A 86 11.706 -15.175 9.616 1.00 0.00 O ATOM 0 H SER A 86 14.339 -15.608 9.181 1.00 0.00 H new ATOM 0 HA SER A 86 13.275 -12.990 9.713 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.972 -15.674 11.156 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.970 -14.264 11.439 1.00 0.00 H new ATOM 0 HG SER A 86 12.122 -15.909 9.118 1.00 0.00 H new ATOM 1413 N SER A 87 15.543 -14.240 11.759 1.00 0.00 N ATOM 1414 CA SER A 87 16.452 -13.962 12.890 1.00 0.00 C ATOM 1415 C SER A 87 17.387 -12.795 12.548 1.00 0.00 C ATOM 1416 O SER A 87 17.646 -11.931 13.394 1.00 0.00 O ATOM 1417 CB SER A 87 17.273 -15.223 13.253 1.00 0.00 C ATOM 1418 OG SER A 87 16.423 -16.288 13.634 1.00 0.00 O ATOM 0 H SER A 87 15.730 -15.128 11.294 1.00 0.00 H new ATOM 0 HA SER A 87 15.850 -13.684 13.755 1.00 0.00 H new ATOM 0 HB2 SER A 87 17.880 -15.525 12.399 1.00 0.00 H new ATOM 0 HB3 SER A 87 17.960 -14.992 14.067 1.00 0.00 H new ATOM 0 HG SER A 87 15.972 -16.646 12.841 1.00 0.00 H new ATOM 1424 N ASP A 88 17.888 -12.784 11.295 1.00 0.00 N ATOM 1425 CA ASP A 88 18.789 -11.736 10.807 1.00 0.00 C ATOM 1426 C ASP A 88 18.294 -11.217 9.455 1.00 0.00 C ATOM 1427 O ASP A 88 18.328 -11.942 8.456 1.00 0.00 O ATOM 1428 CB ASP A 88 20.236 -12.270 10.676 1.00 0.00 C ATOM 1429 CG ASP A 88 20.860 -12.710 12.015 1.00 0.00 C ATOM 1430 OD1 ASP A 88 21.315 -11.837 12.792 1.00 0.00 O ATOM 1431 OD2 ASP A 88 20.901 -13.930 12.297 1.00 0.00 O ATOM 0 H ASP A 88 17.676 -13.501 10.601 1.00 0.00 H new ATOM 0 HA ASP A 88 18.793 -10.918 11.528 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.240 -13.116 9.988 1.00 0.00 H new ATOM 0 HB3 ASP A 88 20.861 -11.495 10.232 1.00 0.00 H new ATOM 1436 N GLY A 89 17.834 -9.953 9.433 1.00 0.00 N ATOM 1437 CA GLY A 89 17.506 -9.270 8.176 1.00 0.00 C ATOM 1438 C GLY A 89 18.742 -8.945 7.341 1.00 0.00 C ATOM 1439 O GLY A 89 18.635 -8.596 6.165 1.00 0.00 O ATOM 0 H GLY A 89 17.683 -9.389 10.269 1.00 0.00 H new ATOM 0 HA2 GLY A 89 16.833 -9.897 7.592 1.00 0.00 H new ATOM 0 HA3 GLY A 89 16.970 -8.347 8.398 1.00 0.00 H new ATOM 1443 N MET A 90 19.923 -9.047 7.970 1.00 0.00 N ATOM 1444 CA MET A 90 21.214 -8.969 7.277 1.00 0.00 C ATOM 1445 C MET A 90 21.483 -10.265 6.484 1.00 0.00 C ATOM 1446 O MET A 90 22.203 -10.236 5.481 1.00 0.00 O ATOM 1447 CB MET A 90 22.352 -8.707 8.295 1.00 0.00 C ATOM 1448 CG MET A 90 22.252 -7.396 9.105 1.00 0.00 C ATOM 1449 SD MET A 90 22.726 -5.904 8.182 1.00 0.00 S ATOM 1450 CE MET A 90 21.275 -5.504 7.205 1.00 0.00 C ATOM 0 H MET A 90 20.007 -9.186 8.977 1.00 0.00 H new ATOM 0 HA MET A 90 21.181 -8.139 6.571 1.00 0.00 H new ATOM 0 HB2 MET A 90 22.384 -9.541 8.996 1.00 0.00 H new ATOM 0 HB3 MET A 90 23.300 -8.706 7.757 1.00 0.00 H new ATOM 0 HG2 MET A 90 21.228 -7.279 9.459 1.00 0.00 H new ATOM 0 HG3 MET A 90 22.886 -7.479 9.987 1.00 0.00 H new ATOM 0 HE1 MET A 90 21.555 -5.420 6.155 1.00 0.00 H new ATOM 0 HE2 MET A 90 20.530 -6.292 7.320 1.00 0.00 H new ATOM 0 HE3 MET A 90 20.857 -4.557 7.546 1.00 0.00 H new ATOM 1460 N LEU A 91 20.920 -11.406 6.956 1.00 0.00 N ATOM 1461 CA LEU A 91 20.939 -12.688 6.219 1.00 0.00 C ATOM 1462 C LEU A 91 19.963 -12.658 5.036 1.00 0.00 C ATOM 1463 O LEU A 91 20.041 -13.519 4.159 1.00 0.00 O ATOM 1464 CB LEU A 91 20.613 -13.893 7.155 1.00 0.00 C ATOM 1465 CG LEU A 91 21.804 -14.431 8.005 1.00 0.00 C ATOM 1466 CD1 LEU A 91 21.371 -15.615 8.898 1.00 0.00 C ATOM 1467 CD2 LEU A 91 22.986 -14.816 7.092 1.00 0.00 C ATOM 0 H LEU A 91 20.442 -11.460 7.856 1.00 0.00 H new ATOM 0 HA LEU A 91 21.950 -12.822 5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 91 19.812 -13.597 7.832 1.00 0.00 H new ATOM 0 HB3 LEU A 91 20.228 -14.710 6.544 1.00 0.00 H new ATOM 0 HG LEU A 91 22.134 -13.633 8.670 1.00 0.00 H new ATOM 0 HD11 LEU A 91 22.225 -15.966 9.477 1.00 0.00 H new ATOM 0 HD12 LEU A 91 20.582 -15.290 9.576 1.00 0.00 H new ATOM 0 HD13 LEU A 91 21.000 -16.426 8.272 1.00 0.00 H new ATOM 0 HD21 LEU A 91 23.809 -15.190 7.701 1.00 0.00 H new ATOM 0 HD22 LEU A 91 22.669 -15.591 6.394 1.00 0.00 H new ATOM 0 HD23 LEU A 91 23.316 -13.939 6.535 1.00 0.00 H new ATOM 1479 N VAL A 92 19.030 -11.694 5.040 1.00 0.00 N ATOM 1480 CA VAL A 92 18.185 -11.406 3.874 1.00 0.00 C ATOM 1481 C VAL A 92 18.927 -10.409 2.957 1.00 0.00 C ATOM 1482 O VAL A 92 19.839 -9.687 3.405 1.00 0.00 O ATOM 1483 CB VAL A 92 16.768 -10.825 4.271 1.00 0.00 C ATOM 1484 CG1 VAL A 92 15.769 -10.877 3.079 1.00 0.00 C ATOM 1485 CG2 VAL A 92 16.187 -11.553 5.494 1.00 0.00 C ATOM 0 H VAL A 92 18.842 -11.097 5.845 1.00 0.00 H new ATOM 0 HA VAL A 92 18.001 -12.346 3.354 1.00 0.00 H new ATOM 0 HB VAL A 92 16.917 -9.778 4.536 1.00 0.00 H new ATOM 0 HG11 VAL A 92 14.808 -10.469 3.392 1.00 0.00 H new ATOM 0 HG12 VAL A 92 16.161 -10.288 2.250 1.00 0.00 H new ATOM 0 HG13 VAL A 92 15.638 -11.911 2.759 1.00 0.00 H new ATOM 0 HG21 VAL A 92 15.213 -11.130 5.741 1.00 0.00 H new ATOM 0 HG22 VAL A 92 16.075 -12.613 5.267 1.00 0.00 H new ATOM 0 HG23 VAL A 92 16.860 -11.433 6.343 1.00 0.00 H new ATOM 1495 N LYS A 93 18.551 -10.398 1.675 1.00 0.00 N ATOM 1496 CA LYS A 93 19.017 -9.405 0.710 1.00 0.00 C ATOM 1497 C LYS A 93 18.506 -8.016 1.134 1.00 0.00 C ATOM 1498 O LYS A 93 17.290 -7.788 1.183 1.00 0.00 O ATOM 1499 CB LYS A 93 18.493 -9.765 -0.700 1.00 0.00 C ATOM 1500 CG LYS A 93 18.974 -11.140 -1.241 1.00 0.00 C ATOM 1501 CD LYS A 93 20.396 -11.098 -1.853 1.00 0.00 C ATOM 1502 CE LYS A 93 20.428 -10.367 -3.202 1.00 0.00 C ATOM 1503 NZ LYS A 93 21.772 -10.405 -3.819 1.00 0.00 N ATOM 0 H LYS A 93 17.910 -11.084 1.277 1.00 0.00 H new ATOM 0 HA LYS A 93 20.107 -9.394 0.683 1.00 0.00 H new ATOM 0 HB2 LYS A 93 17.403 -9.759 -0.680 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.803 -8.987 -1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 93 18.957 -11.867 -0.429 1.00 0.00 H new ATOM 0 HG3 LYS A 93 18.271 -11.490 -1.997 1.00 0.00 H new ATOM 0 HD2 LYS A 93 21.074 -10.603 -1.158 1.00 0.00 H new ATOM 0 HD3 LYS A 93 20.763 -12.116 -1.985 1.00 0.00 H new ATOM 0 HE2 LYS A 93 19.705 -10.822 -3.879 1.00 0.00 H new ATOM 0 HE3 LYS A 93 20.123 -9.330 -3.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 21.700 -10.150 -4.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 22.396 -9.728 -3.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 22.167 -11.363 -3.732 1.00 0.00 H new ATOM 1517 N ARG A 94 19.454 -7.123 1.475 1.00 0.00 N ATOM 1518 CA ARG A 94 19.157 -5.744 1.878 1.00 0.00 C ATOM 1519 C ARG A 94 18.322 -5.004 0.796 1.00 0.00 C ATOM 1520 O ARG A 94 17.300 -4.425 1.146 1.00 0.00 O ATOM 1521 CB ARG A 94 20.468 -4.989 2.235 1.00 0.00 C ATOM 1522 CG ARG A 94 21.184 -5.540 3.487 1.00 0.00 C ATOM 1523 CD ARG A 94 22.640 -5.069 3.621 1.00 0.00 C ATOM 1524 NE ARG A 94 22.796 -3.600 3.559 1.00 0.00 N ATOM 1525 CZ ARG A 94 23.959 -2.970 3.297 1.00 0.00 C ATOM 1526 NH1 ARG A 94 25.070 -3.658 3.094 1.00 0.00 N ATOM 1527 NH2 ARG A 94 24.009 -1.649 3.234 1.00 0.00 N ATOM 0 H ARG A 94 20.450 -7.343 1.477 1.00 0.00 H new ATOM 0 HA ARG A 94 18.540 -5.771 2.776 1.00 0.00 H new ATOM 0 HB2 ARG A 94 21.149 -5.042 1.386 1.00 0.00 H new ATOM 0 HB3 ARG A 94 20.238 -3.936 2.394 1.00 0.00 H new ATOM 0 HG2 ARG A 94 20.630 -5.237 4.375 1.00 0.00 H new ATOM 0 HG3 ARG A 94 21.165 -6.629 3.456 1.00 0.00 H new ATOM 0 HD2 ARG A 94 23.044 -5.429 4.567 1.00 0.00 H new ATOM 0 HD3 ARG A 94 23.234 -5.523 2.828 1.00 0.00 H new ATOM 0 HE ARG A 94 21.970 -3.026 3.725 1.00 0.00 H new ATOM 0 HH11 ARG A 94 25.053 -4.677 3.135 1.00 0.00 H new ATOM 0 HH12 ARG A 94 25.943 -3.170 2.897 1.00 0.00 H new ATOM 0 HH21 ARG A 94 23.163 -1.099 3.384 1.00 0.00 H new ATOM 0 HH22 ARG A 94 24.893 -1.181 3.035 1.00 0.00 H new ATOM 1541 N PRO A 95 18.702 -5.028 -0.535 1.00 0.00 N ATOM 1542 CA PRO A 95 17.785 -4.578 -1.604 1.00 0.00 C ATOM 1543 C PRO A 95 16.718 -5.659 -1.925 1.00 0.00 C ATOM 1544 O PRO A 95 16.999 -6.678 -2.577 1.00 0.00 O ATOM 1545 CB PRO A 95 18.724 -4.308 -2.798 1.00 0.00 C ATOM 1546 CG PRO A 95 19.847 -5.284 -2.609 1.00 0.00 C ATOM 1547 CD PRO A 95 20.019 -5.447 -1.109 1.00 0.00 C ATOM 0 HA PRO A 95 17.207 -3.696 -1.329 1.00 0.00 H new ATOM 0 HB2 PRO A 95 18.215 -4.465 -3.749 1.00 0.00 H new ATOM 0 HB3 PRO A 95 19.085 -3.280 -2.796 1.00 0.00 H new ATOM 0 HG2 PRO A 95 19.616 -6.239 -3.080 1.00 0.00 H new ATOM 0 HG3 PRO A 95 20.764 -4.916 -3.068 1.00 0.00 H new ATOM 0 HD2 PRO A 95 20.257 -6.478 -0.846 1.00 0.00 H new ATOM 0 HD3 PRO A 95 20.832 -4.826 -0.733 1.00 0.00 H new ATOM 1555 N LEU A 96 15.522 -5.445 -1.391 1.00 0.00 N ATOM 1556 CA LEU A 96 14.336 -6.262 -1.656 1.00 0.00 C ATOM 1557 C LEU A 96 13.139 -5.310 -1.755 1.00 0.00 C ATOM 1558 O LEU A 96 13.113 -4.268 -1.115 1.00 0.00 O ATOM 1559 CB LEU A 96 14.166 -7.358 -0.538 1.00 0.00 C ATOM 1560 CG LEU A 96 12.840 -8.229 -0.552 1.00 0.00 C ATOM 1561 CD1 LEU A 96 13.083 -9.676 -0.061 1.00 0.00 C ATOM 1562 CD2 LEU A 96 11.713 -7.586 0.280 1.00 0.00 C ATOM 0 H LEU A 96 15.341 -4.678 -0.743 1.00 0.00 H new ATOM 0 HA LEU A 96 14.426 -6.810 -2.594 1.00 0.00 H new ATOM 0 HB2 LEU A 96 15.015 -8.039 -0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 96 14.231 -6.862 0.430 1.00 0.00 H new ATOM 0 HG LEU A 96 12.525 -8.266 -1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.146 -10.232 -0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 96 13.813 -10.162 -0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.462 -9.655 0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.826 -8.218 0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 96 12.039 -7.482 1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.476 -6.603 -0.126 1.00 0.00 H new ATOM 1574 N ALA A 97 12.177 -5.646 -2.600 1.00 0.00 N ATOM 1575 CA ALA A 97 10.911 -4.923 -2.699 1.00 0.00 C ATOM 1576 C ALA A 97 9.813 -5.962 -2.871 1.00 0.00 C ATOM 1577 O ALA A 97 9.717 -6.580 -3.917 1.00 0.00 O ATOM 1578 CB ALA A 97 10.941 -3.910 -3.858 1.00 0.00 C ATOM 0 H ALA A 97 12.250 -6.434 -3.243 1.00 0.00 H new ATOM 0 HA ALA A 97 10.726 -4.337 -1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 97 9.986 -3.386 -3.908 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.742 -3.190 -3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.116 -4.436 -4.796 1.00 0.00 H new ATOM 1584 N VAL A 98 9.030 -6.202 -1.816 1.00 0.00 N ATOM 1585 CA VAL A 98 7.958 -7.213 -1.832 1.00 0.00 C ATOM 1586 C VAL A 98 6.589 -6.537 -1.768 1.00 0.00 C ATOM 1587 O VAL A 98 6.438 -5.457 -1.201 1.00 0.00 O ATOM 1588 CB VAL A 98 8.116 -8.272 -0.665 1.00 0.00 C ATOM 1589 CG1 VAL A 98 7.949 -7.639 0.742 1.00 0.00 C ATOM 1590 CG2 VAL A 98 7.157 -9.484 -0.859 1.00 0.00 C ATOM 0 H VAL A 98 9.117 -5.706 -0.929 1.00 0.00 H new ATOM 0 HA VAL A 98 8.040 -7.760 -2.771 1.00 0.00 H new ATOM 0 HB VAL A 98 9.139 -8.643 -0.721 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.067 -8.409 1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 98 8.705 -6.867 0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.957 -7.195 0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.293 -10.190 -0.040 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.125 -9.133 -0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 98 7.381 -9.978 -1.805 1.00 0.00 H new ATOM 1600 N MET A 99 5.602 -7.186 -2.367 1.00 0.00 N ATOM 1601 CA MET A 99 4.212 -6.746 -2.368 1.00 0.00 C ATOM 1602 C MET A 99 3.316 -8.007 -2.375 1.00 0.00 C ATOM 1603 O MET A 99 3.846 -9.131 -2.336 1.00 0.00 O ATOM 1604 CB MET A 99 3.991 -5.808 -3.593 1.00 0.00 C ATOM 1605 CG MET A 99 2.642 -5.059 -3.647 1.00 0.00 C ATOM 1606 SD MET A 99 1.498 -5.781 -4.844 1.00 0.00 S ATOM 1607 CE MET A 99 2.317 -5.361 -6.390 1.00 0.00 C ATOM 0 H MET A 99 5.748 -8.056 -2.879 1.00 0.00 H new ATOM 0 HA MET A 99 3.951 -6.168 -1.482 1.00 0.00 H new ATOM 0 HB2 MET A 99 4.793 -5.070 -3.608 1.00 0.00 H new ATOM 0 HB3 MET A 99 4.089 -6.403 -4.501 1.00 0.00 H new ATOM 0 HG2 MET A 99 2.184 -5.071 -2.658 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.820 -4.015 -3.903 1.00 0.00 H new ATOM 0 HE1 MET A 99 1.736 -4.603 -6.915 1.00 0.00 H new ATOM 0 HE2 MET A 99 3.314 -4.973 -6.180 1.00 0.00 H new ATOM 0 HE3 MET A 99 2.398 -6.252 -7.012 1.00 0.00 H new ATOM 1617 N GLY A 100 1.983 -7.820 -2.377 1.00 0.00 N ATOM 1618 CA GLY A 100 1.017 -8.919 -2.350 1.00 0.00 C ATOM 1619 C GLY A 100 1.292 -10.055 -3.341 1.00 0.00 C ATOM 1620 O GLY A 100 1.480 -11.195 -2.932 1.00 0.00 O ATOM 0 H GLY A 100 1.550 -6.896 -2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.993 -9.335 -1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.025 -8.515 -2.552 1.00 0.00 H new ATOM 1624 N ASP A 101 1.347 -9.735 -4.639 1.00 0.00 N ATOM 1625 CA ASP A 101 1.464 -10.755 -5.710 1.00 0.00 C ATOM 1626 C ASP A 101 2.812 -10.670 -6.460 1.00 0.00 C ATOM 1627 O ASP A 101 3.115 -11.532 -7.297 1.00 0.00 O ATOM 1628 CB ASP A 101 0.276 -10.603 -6.692 1.00 0.00 C ATOM 1629 CG ASP A 101 0.270 -9.268 -7.467 1.00 0.00 C ATOM 1630 OD1 ASP A 101 0.096 -8.203 -6.834 1.00 0.00 O ATOM 1631 OD2 ASP A 101 0.436 -9.271 -8.709 1.00 0.00 O ATOM 0 H ASP A 101 1.313 -8.775 -4.983 1.00 0.00 H new ATOM 0 HA ASP A 101 1.433 -11.740 -5.244 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.301 -11.426 -7.406 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.657 -10.692 -6.135 1.00 0.00 H new ATOM 1636 N LYS A 102 3.632 -9.648 -6.140 1.00 0.00 N ATOM 1637 CA LYS A 102 4.890 -9.341 -6.866 1.00 0.00 C ATOM 1638 C LYS A 102 6.065 -9.075 -5.904 1.00 0.00 C ATOM 1639 O LYS A 102 5.851 -8.673 -4.762 1.00 0.00 O ATOM 1640 CB LYS A 102 4.670 -8.111 -7.787 1.00 0.00 C ATOM 1641 CG LYS A 102 3.759 -8.349 -9.005 1.00 0.00 C ATOM 1642 CD LYS A 102 4.260 -9.503 -9.898 1.00 0.00 C ATOM 1643 CE LYS A 102 3.484 -9.617 -11.217 1.00 0.00 C ATOM 1644 NZ LYS A 102 2.042 -9.917 -11.005 1.00 0.00 N ATOM 0 H LYS A 102 3.443 -9.008 -5.369 1.00 0.00 H new ATOM 0 HA LYS A 102 5.151 -10.214 -7.464 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.246 -7.304 -7.190 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.641 -7.768 -8.143 1.00 0.00 H new ATOM 0 HG2 LYS A 102 2.749 -8.571 -8.662 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.701 -7.435 -9.596 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.318 -9.354 -10.116 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.176 -10.442 -9.351 1.00 0.00 H new ATOM 0 HE2 LYS A 102 3.580 -8.684 -11.773 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.929 -10.401 -11.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 1.467 -9.318 -11.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 1.860 -10.918 -11.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 1.789 -9.725 -10.015 1.00 0.00 H new ATOM 1658 N ILE A 103 7.311 -9.282 -6.402 1.00 0.00 N ATOM 1659 CA ILE A 103 8.556 -9.088 -5.615 1.00 0.00 C ATOM 1660 C ILE A 103 9.788 -8.941 -6.555 1.00 0.00 C ATOM 1661 O ILE A 103 9.826 -9.537 -7.642 1.00 0.00 O ATOM 1662 CB ILE A 103 8.785 -10.281 -4.600 1.00 0.00 C ATOM 1663 CG1 ILE A 103 9.992 -10.015 -3.635 1.00 0.00 C ATOM 1664 CG2 ILE A 103 8.962 -11.613 -5.357 1.00 0.00 C ATOM 1665 CD1 ILE A 103 10.209 -11.082 -2.565 1.00 0.00 C ATOM 0 H ILE A 103 7.481 -9.588 -7.360 1.00 0.00 H new ATOM 0 HA ILE A 103 8.442 -8.168 -5.041 1.00 0.00 H new ATOM 0 HB ILE A 103 7.893 -10.353 -3.977 1.00 0.00 H new ATOM 0 HG12 ILE A 103 10.901 -9.928 -4.230 1.00 0.00 H new ATOM 0 HG13 ILE A 103 9.840 -9.054 -3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.118 -12.420 -4.641 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.068 -11.818 -5.946 1.00 0.00 H new ATOM 0 HG23 ILE A 103 9.825 -11.543 -6.019 1.00 0.00 H new ATOM 0 HD11 ILE A 103 11.065 -10.810 -1.948 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.320 -11.156 -1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 103 10.397 -12.043 -3.043 1.00 0.00 H new ATOM 1677 N THR A 104 10.784 -8.131 -6.130 1.00 0.00 N ATOM 1678 CA THR A 104 12.068 -7.949 -6.838 1.00 0.00 C ATOM 1679 C THR A 104 13.243 -7.997 -5.846 1.00 0.00 C ATOM 1680 O THR A 104 13.194 -7.364 -4.786 1.00 0.00 O ATOM 1681 CB THR A 104 12.113 -6.603 -7.635 1.00 0.00 C ATOM 1682 OG1 THR A 104 11.672 -5.522 -6.798 1.00 0.00 O ATOM 1683 CG2 THR A 104 11.259 -6.652 -8.914 1.00 0.00 C ATOM 0 H THR A 104 10.716 -7.579 -5.275 1.00 0.00 H new ATOM 0 HA THR A 104 12.157 -8.768 -7.552 1.00 0.00 H new ATOM 0 HB THR A 104 13.147 -6.441 -7.938 1.00 0.00 H new ATOM 0 HG1 THR A 104 10.692 -5.492 -6.791 1.00 0.00 H new ATOM 0 HG21 THR A 104 11.323 -5.695 -9.431 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.627 -7.443 -9.567 1.00 0.00 H new ATOM 0 HG23 THR A 104 10.221 -6.853 -8.651 1.00 0.00 H new ATOM 1691 N LEU A 105 14.289 -8.771 -6.197 1.00 0.00 N ATOM 1692 CA LEU A 105 15.527 -8.898 -5.398 1.00 0.00 C ATOM 1693 C LEU A 105 16.704 -8.247 -6.139 1.00 0.00 C ATOM 1694 O LEU A 105 16.910 -8.498 -7.336 1.00 0.00 O ATOM 1695 CB LEU A 105 15.838 -10.392 -5.072 1.00 0.00 C ATOM 1696 CG LEU A 105 15.135 -10.993 -3.825 1.00 0.00 C ATOM 1697 CD1 LEU A 105 15.564 -10.261 -2.557 1.00 0.00 C ATOM 1698 CD2 LEU A 105 13.605 -11.010 -3.980 1.00 0.00 C ATOM 0 H LEU A 105 14.300 -9.331 -7.050 1.00 0.00 H new ATOM 0 HA LEU A 105 15.377 -8.378 -4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 105 15.566 -10.994 -5.939 1.00 0.00 H new ATOM 0 HB3 LEU A 105 16.915 -10.494 -4.938 1.00 0.00 H new ATOM 0 HG LEU A 105 15.452 -12.032 -3.737 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.059 -10.699 -1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 105 16.643 -10.353 -2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 105 15.297 -9.207 -2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 105 13.153 -11.438 -3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 105 13.242 -9.992 -4.118 1.00 0.00 H new ATOM 0 HD23 LEU A 105 13.334 -11.612 -4.847 1.00 0.00 H new ATOM 1710 N GLY A 106 17.470 -7.429 -5.397 1.00 0.00 N ATOM 1711 CA GLY A 106 18.590 -6.664 -5.950 1.00 0.00 C ATOM 1712 C GLY A 106 18.156 -5.521 -6.865 1.00 0.00 C ATOM 1713 O GLY A 106 16.974 -5.419 -7.235 1.00 0.00 O ATOM 0 H GLY A 106 17.326 -7.283 -4.398 1.00 0.00 H new ATOM 0 HA2 GLY A 106 19.182 -6.257 -5.130 1.00 0.00 H new ATOM 0 HA3 GLY A 106 19.240 -7.338 -6.508 1.00 0.00 H new ATOM 1717 N PHE A 107 19.108 -4.641 -7.216 1.00 0.00 N ATOM 1718 CA PHE A 107 18.872 -3.584 -8.205 1.00 0.00 C ATOM 1719 C PHE A 107 19.048 -4.174 -9.613 1.00 0.00 C ATOM 1720 O PHE A 107 20.175 -4.313 -10.107 1.00 0.00 O ATOM 1721 CB PHE A 107 19.810 -2.363 -7.998 1.00 0.00 C ATOM 1722 CG PHE A 107 19.591 -1.254 -9.029 1.00 0.00 C ATOM 1723 CD1 PHE A 107 18.416 -0.509 -9.028 1.00 0.00 C ATOM 1724 CD2 PHE A 107 20.535 -0.987 -10.022 1.00 0.00 C ATOM 1725 CE1 PHE A 107 18.186 0.462 -9.981 1.00 0.00 C ATOM 1726 CE2 PHE A 107 20.306 -0.011 -10.967 1.00 0.00 C ATOM 1727 CZ PHE A 107 19.131 0.710 -10.948 1.00 0.00 C ATOM 0 H PHE A 107 20.051 -4.644 -6.826 1.00 0.00 H new ATOM 0 HA PHE A 107 17.854 -3.215 -8.079 1.00 0.00 H new ATOM 0 HB2 PHE A 107 19.653 -1.957 -6.999 1.00 0.00 H new ATOM 0 HB3 PHE A 107 20.847 -2.697 -8.047 1.00 0.00 H new ATOM 0 HD1 PHE A 107 17.671 -0.694 -8.268 1.00 0.00 H new ATOM 0 HD2 PHE A 107 21.455 -1.552 -10.050 1.00 0.00 H new ATOM 0 HE1 PHE A 107 17.265 1.026 -9.967 1.00 0.00 H new ATOM 0 HE2 PHE A 107 21.049 0.190 -11.725 1.00 0.00 H new ATOM 0 HZ PHE A 107 18.953 1.471 -11.694 1.00 0.00 H new ATOM 1737 N LYS A 108 17.928 -4.574 -10.223 1.00 0.00 N ATOM 1738 CA LYS A 108 17.887 -5.046 -11.613 1.00 0.00 C ATOM 1739 C LYS A 108 16.700 -4.388 -12.322 1.00 0.00 C ATOM 1740 O LYS A 108 15.549 -4.708 -12.007 1.00 0.00 O ATOM 1741 CB LYS A 108 17.765 -6.595 -11.698 1.00 0.00 C ATOM 1742 CG LYS A 108 18.937 -7.379 -11.071 1.00 0.00 C ATOM 1743 CD LYS A 108 18.820 -8.897 -11.325 1.00 0.00 C ATOM 1744 CE LYS A 108 19.985 -9.702 -10.728 1.00 0.00 C ATOM 1745 NZ LYS A 108 19.911 -11.141 -11.090 1.00 0.00 N ATOM 0 H LYS A 108 17.017 -4.580 -9.764 1.00 0.00 H new ATOM 0 HA LYS A 108 18.823 -4.769 -12.099 1.00 0.00 H new ATOM 0 HB2 LYS A 108 16.841 -6.899 -11.206 1.00 0.00 H new ATOM 0 HB3 LYS A 108 17.677 -6.880 -12.746 1.00 0.00 H new ATOM 0 HG2 LYS A 108 19.878 -7.014 -11.482 1.00 0.00 H new ATOM 0 HG3 LYS A 108 18.965 -7.192 -9.997 1.00 0.00 H new ATOM 0 HD2 LYS A 108 17.883 -9.258 -10.902 1.00 0.00 H new ATOM 0 HD3 LYS A 108 18.775 -9.077 -12.399 1.00 0.00 H new ATOM 0 HE2 LYS A 108 20.930 -9.288 -11.080 1.00 0.00 H new ATOM 0 HE3 LYS A 108 19.977 -9.600 -9.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 20.715 -11.647 -10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 19.021 -11.544 -10.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 19.945 -11.241 -12.125 1.00 0.00 H new ATOM 1759 N GLU A 109 16.991 -3.464 -13.260 1.00 0.00 N ATOM 1760 CA GLU A 109 15.966 -2.786 -14.086 1.00 0.00 C ATOM 1761 C GLU A 109 15.080 -3.819 -14.798 1.00 0.00 C ATOM 1762 O GLU A 109 13.863 -3.647 -14.885 1.00 0.00 O ATOM 1763 CB GLU A 109 16.642 -1.853 -15.131 1.00 0.00 C ATOM 1764 CG GLU A 109 15.659 -1.165 -16.102 1.00 0.00 C ATOM 1765 CD GLU A 109 16.345 -0.202 -17.084 1.00 0.00 C ATOM 1766 OE1 GLU A 109 16.637 0.954 -16.693 1.00 0.00 O ATOM 1767 OE2 GLU A 109 16.574 -0.584 -18.253 1.00 0.00 O ATOM 0 H GLU A 109 17.944 -3.165 -13.468 1.00 0.00 H new ATOM 0 HA GLU A 109 15.340 -2.182 -13.429 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.208 -1.086 -14.603 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.358 -2.436 -15.711 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.124 -1.928 -16.667 1.00 0.00 H new ATOM 0 HG3 GLU A 109 14.915 -0.615 -15.525 1.00 0.00 H new ATOM 1774 N ASP A 110 15.728 -4.901 -15.266 1.00 0.00 N ATOM 1775 CA ASP A 110 15.070 -6.029 -15.953 1.00 0.00 C ATOM 1776 C ASP A 110 13.933 -6.615 -15.095 1.00 0.00 C ATOM 1777 O ASP A 110 12.793 -6.720 -15.555 1.00 0.00 O ATOM 1778 CB ASP A 110 16.117 -7.118 -16.306 1.00 0.00 C ATOM 1779 CG ASP A 110 15.509 -8.392 -16.938 1.00 0.00 C ATOM 1780 OD1 ASP A 110 14.984 -8.320 -18.072 1.00 0.00 O ATOM 1781 OD2 ASP A 110 15.563 -9.472 -16.307 1.00 0.00 O ATOM 0 H ASP A 110 16.737 -5.019 -15.177 1.00 0.00 H new ATOM 0 HA ASP A 110 14.625 -5.659 -16.877 1.00 0.00 H new ATOM 0 HB2 ASP A 110 16.847 -6.695 -16.996 1.00 0.00 H new ATOM 0 HB3 ASP A 110 16.657 -7.396 -15.401 1.00 0.00 H new ATOM 1786 N GLN A 111 14.256 -6.954 -13.840 1.00 0.00 N ATOM 1787 CA GLN A 111 13.284 -7.482 -12.878 1.00 0.00 C ATOM 1788 C GLN A 111 12.190 -6.447 -12.557 1.00 0.00 C ATOM 1789 O GLN A 111 11.015 -6.794 -12.551 1.00 0.00 O ATOM 1790 CB GLN A 111 14.006 -7.934 -11.588 1.00 0.00 C ATOM 1791 CG GLN A 111 15.036 -9.053 -11.808 1.00 0.00 C ATOM 1792 CD GLN A 111 14.426 -10.356 -12.341 1.00 0.00 C ATOM 1793 OE1 GLN A 111 14.310 -10.555 -13.553 1.00 0.00 O ATOM 1794 NE2 GLN A 111 14.026 -11.247 -11.447 1.00 0.00 N ATOM 0 H GLN A 111 15.200 -6.869 -13.464 1.00 0.00 H new ATOM 0 HA GLN A 111 12.794 -8.345 -13.329 1.00 0.00 H new ATOM 0 HB2 GLN A 111 14.508 -7.074 -11.144 1.00 0.00 H new ATOM 0 HB3 GLN A 111 13.262 -8.275 -10.868 1.00 0.00 H new ATOM 0 HG2 GLN A 111 15.795 -8.704 -12.509 1.00 0.00 H new ATOM 0 HG3 GLN A 111 15.543 -9.258 -10.865 1.00 0.00 H new ATOM 0 HE21 GLN A 111 14.135 -11.055 -10.451 1.00 0.00 H new ATOM 0 HE22 GLN A 111 13.609 -12.126 -11.754 1.00 0.00 H new ATOM 1803 N TYR A 112 12.584 -5.177 -12.334 1.00 0.00 N ATOM 1804 CA TYR A 112 11.640 -4.102 -11.951 1.00 0.00 C ATOM 1805 C TYR A 112 10.567 -3.870 -13.038 1.00 0.00 C ATOM 1806 O TYR A 112 9.382 -3.711 -12.723 1.00 0.00 O ATOM 1807 CB TYR A 112 12.383 -2.773 -11.642 1.00 0.00 C ATOM 1808 CG TYR A 112 13.284 -2.780 -10.393 1.00 0.00 C ATOM 1809 CD1 TYR A 112 12.832 -3.302 -9.184 1.00 0.00 C ATOM 1810 CD2 TYR A 112 14.574 -2.246 -10.420 1.00 0.00 C ATOM 1811 CE1 TYR A 112 13.631 -3.304 -8.058 1.00 0.00 C ATOM 1812 CE2 TYR A 112 15.374 -2.251 -9.296 1.00 0.00 C ATOM 1813 CZ TYR A 112 14.899 -2.782 -8.118 1.00 0.00 C ATOM 1814 OH TYR A 112 15.699 -2.793 -6.997 1.00 0.00 O ATOM 0 H TYR A 112 13.553 -4.868 -12.412 1.00 0.00 H new ATOM 0 HA TYR A 112 11.139 -4.435 -11.042 1.00 0.00 H new ATOM 0 HB2 TYR A 112 12.995 -2.512 -12.506 1.00 0.00 H new ATOM 0 HB3 TYR A 112 11.641 -1.983 -11.526 1.00 0.00 H new ATOM 0 HD1 TYR A 112 11.835 -3.714 -9.126 1.00 0.00 H new ATOM 0 HD2 TYR A 112 14.953 -1.821 -11.338 1.00 0.00 H new ATOM 0 HE1 TYR A 112 13.259 -3.716 -7.131 1.00 0.00 H new ATOM 0 HE2 TYR A 112 16.371 -1.839 -9.340 1.00 0.00 H new ATOM 0 HH TYR A 112 16.131 -3.669 -6.912 1.00 0.00 H new ATOM 1824 N LYS A 113 10.984 -3.885 -14.319 1.00 0.00 N ATOM 1825 CA LYS A 113 10.060 -3.671 -15.450 1.00 0.00 C ATOM 1826 C LYS A 113 9.230 -4.933 -15.731 1.00 0.00 C ATOM 1827 O LYS A 113 8.066 -4.843 -16.132 1.00 0.00 O ATOM 1828 CB LYS A 113 10.810 -3.127 -16.717 1.00 0.00 C ATOM 1829 CG LYS A 113 11.935 -4.016 -17.331 1.00 0.00 C ATOM 1830 CD LYS A 113 11.425 -5.088 -18.329 1.00 0.00 C ATOM 1831 CE LYS A 113 12.548 -5.974 -18.893 1.00 0.00 C ATOM 1832 NZ LYS A 113 12.036 -6.987 -19.847 1.00 0.00 N ATOM 0 H LYS A 113 11.953 -4.043 -14.596 1.00 0.00 H new ATOM 0 HA LYS A 113 9.352 -2.892 -15.169 1.00 0.00 H new ATOM 0 HB2 LYS A 113 10.067 -2.943 -17.493 1.00 0.00 H new ATOM 0 HB3 LYS A 113 11.248 -2.163 -16.459 1.00 0.00 H new ATOM 0 HG2 LYS A 113 12.653 -3.373 -17.841 1.00 0.00 H new ATOM 0 HG3 LYS A 113 12.471 -4.514 -16.523 1.00 0.00 H new ATOM 0 HD2 LYS A 113 10.689 -5.719 -17.830 1.00 0.00 H new ATOM 0 HD3 LYS A 113 10.913 -4.593 -19.154 1.00 0.00 H new ATOM 0 HE2 LYS A 113 13.287 -5.347 -19.393 1.00 0.00 H new ATOM 0 HE3 LYS A 113 13.059 -6.476 -18.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 12.809 -7.300 -20.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 11.663 -7.803 -19.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 11.276 -6.570 -20.422 1.00 0.00 H new ATOM 1846 N GLU A 114 9.832 -6.103 -15.487 1.00 0.00 N ATOM 1847 CA GLU A 114 9.194 -7.410 -15.743 1.00 0.00 C ATOM 1848 C GLU A 114 8.137 -7.732 -14.657 1.00 0.00 C ATOM 1849 O GLU A 114 7.166 -8.448 -14.913 1.00 0.00 O ATOM 1850 CB GLU A 114 10.282 -8.513 -15.769 1.00 0.00 C ATOM 1851 CG GLU A 114 9.875 -9.835 -16.461 1.00 0.00 C ATOM 1852 CD GLU A 114 9.895 -9.772 -18.002 1.00 0.00 C ATOM 1853 OE1 GLU A 114 10.913 -9.315 -18.570 1.00 0.00 O ATOM 1854 OE2 GLU A 114 8.935 -10.234 -18.650 1.00 0.00 O ATOM 0 H GLU A 114 10.776 -6.176 -15.106 1.00 0.00 H new ATOM 0 HA GLU A 114 8.686 -7.371 -16.707 1.00 0.00 H new ATOM 0 HB2 GLU A 114 11.164 -8.117 -16.272 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.573 -8.735 -14.743 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.548 -10.627 -16.132 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.873 -10.111 -16.132 1.00 0.00 H new ATOM 1861 N THR A 115 8.345 -7.179 -13.449 1.00 0.00 N ATOM 1862 CA THR A 115 7.523 -7.482 -12.258 1.00 0.00 C ATOM 1863 C THR A 115 6.477 -6.374 -11.995 1.00 0.00 C ATOM 1864 O THR A 115 5.270 -6.638 -12.025 1.00 0.00 O ATOM 1865 CB THR A 115 8.453 -7.663 -11.012 1.00 0.00 C ATOM 1866 OG1 THR A 115 9.374 -8.746 -11.253 1.00 0.00 O ATOM 1867 CG2 THR A 115 7.689 -7.929 -9.708 1.00 0.00 C ATOM 0 H THR A 115 9.090 -6.506 -13.268 1.00 0.00 H new ATOM 0 HA THR A 115 6.979 -8.408 -12.443 1.00 0.00 H new ATOM 0 HB THR A 115 8.982 -6.719 -10.880 1.00 0.00 H new ATOM 0 HG1 THR A 115 10.169 -8.403 -11.712 1.00 0.00 H new ATOM 0 HG21 THR A 115 8.398 -8.044 -8.888 1.00 0.00 H new ATOM 0 HG22 THR A 115 7.024 -7.091 -9.498 1.00 0.00 H new ATOM 0 HG23 THR A 115 7.101 -8.841 -9.810 1.00 0.00 H new ATOM 1875 N TRP A 116 6.951 -5.132 -11.748 1.00 0.00 N ATOM 1876 CA TRP A 116 6.084 -4.003 -11.335 1.00 0.00 C ATOM 1877 C TRP A 116 5.402 -3.363 -12.549 1.00 0.00 C ATOM 1878 O TRP A 116 4.193 -3.098 -12.542 1.00 0.00 O ATOM 1879 CB TRP A 116 6.900 -2.911 -10.580 1.00 0.00 C ATOM 1880 CG TRP A 116 7.770 -3.428 -9.461 1.00 0.00 C ATOM 1881 CD1 TRP A 116 9.130 -3.328 -9.366 1.00 0.00 C ATOM 1882 CD2 TRP A 116 7.346 -4.138 -8.285 1.00 0.00 C ATOM 1883 NE1 TRP A 116 9.568 -3.916 -8.212 1.00 0.00 N ATOM 1884 CE2 TRP A 116 8.496 -4.423 -7.536 1.00 0.00 C ATOM 1885 CE3 TRP A 116 6.108 -4.549 -7.785 1.00 0.00 C ATOM 1886 CZ2 TRP A 116 8.451 -5.111 -6.335 1.00 0.00 C ATOM 1887 CZ3 TRP A 116 6.069 -5.232 -6.589 1.00 0.00 C ATOM 1888 CH2 TRP A 116 7.231 -5.502 -5.873 1.00 0.00 C ATOM 0 H TRP A 116 7.937 -4.884 -11.828 1.00 0.00 H new ATOM 0 HA TRP A 116 5.326 -4.410 -10.666 1.00 0.00 H new ATOM 0 HB2 TRP A 116 7.531 -2.388 -11.299 1.00 0.00 H new ATOM 0 HB3 TRP A 116 6.206 -2.177 -10.171 1.00 0.00 H new ATOM 0 HD1 TRP A 116 9.767 -2.853 -10.097 1.00 0.00 H new ATOM 0 HE1 TRP A 116 10.540 -3.968 -7.906 1.00 0.00 H new ATOM 0 HE3 TRP A 116 5.198 -4.335 -8.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 9.353 -5.330 -5.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 5.118 -5.564 -6.200 1.00 0.00 H new ATOM 0 HH2 TRP A 116 7.164 -6.031 -4.934 1.00 0.00 H new ATOM 1899 N LEU A 117 6.212 -3.123 -13.588 1.00 0.00 N ATOM 1900 CA LEU A 117 5.829 -2.320 -14.767 1.00 0.00 C ATOM 1901 C LEU A 117 5.288 -3.234 -15.894 1.00 0.00 C ATOM 1902 O LEU A 117 4.838 -4.354 -15.617 1.00 0.00 O ATOM 1903 CB LEU A 117 7.083 -1.518 -15.219 1.00 0.00 C ATOM 1904 CG LEU A 117 7.829 -0.744 -14.083 1.00 0.00 C ATOM 1905 CD1 LEU A 117 9.143 -0.126 -14.588 1.00 0.00 C ATOM 1906 CD2 LEU A 117 6.919 0.321 -13.439 1.00 0.00 C ATOM 0 H LEU A 117 7.165 -3.484 -13.639 1.00 0.00 H new ATOM 0 HA LEU A 117 5.025 -1.626 -14.520 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.785 -2.208 -15.687 1.00 0.00 H new ATOM 0 HB3 LEU A 117 6.780 -0.803 -15.984 1.00 0.00 H new ATOM 0 HG LEU A 117 8.087 -1.469 -13.311 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.633 0.404 -13.771 1.00 0.00 H new ATOM 0 HD12 LEU A 117 9.799 -0.915 -14.954 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.929 0.573 -15.397 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.467 0.841 -12.653 1.00 0.00 H new ATOM 0 HD22 LEU A 117 6.605 1.038 -14.198 1.00 0.00 H new ATOM 0 HD23 LEU A 117 6.041 -0.162 -13.010 1.00 0.00 H new ATOM 1918 N ALA A 118 5.326 -2.749 -17.156 1.00 0.00 N ATOM 1919 CA ALA A 118 4.845 -3.513 -18.328 1.00 0.00 C ATOM 1920 C ALA A 118 5.583 -3.040 -19.601 1.00 0.00 C ATOM 1921 O ALA A 118 5.378 -1.879 -20.008 1.00 0.00 O ATOM 1922 CB ALA A 118 3.315 -3.368 -18.483 1.00 0.00 C ATOM 1923 OXT ALA A 118 6.364 -3.821 -20.186 1.00 0.00 O ATOM 0 H ALA A 118 5.688 -1.824 -17.389 1.00 0.00 H new ATOM 0 HA ALA A 118 5.062 -4.570 -18.176 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.982 -3.937 -19.351 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.821 -3.747 -17.588 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.061 -2.317 -18.619 1.00 0.00 H new TER 1929 ALA A 118