USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 981 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 113 THR OG1 : rot 3:sc= 0.224! USER MOD Set 1.2: A 118 THR OG1 : rot -65:sc= 0.321 USER MOD Set 2.1: A 99 GLN : amide:sc= -2.94 K(o=-2.2,f=-7.9!) USER MOD Set 2.2: A 101 SER OG : rot -9:sc= 0.734 USER MOD Set 3.1: A 98 HIS : no HD1:sc= -3.14 K(o=-3.1,f=-4.6!) USER MOD Set 3.2: A 100 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 73 THR OG1 : rot 133:sc= 1.9 USER MOD Set 4.2: A 97 TYR OH : rot 36:sc= 0.5 USER MOD Set 5.1: A 52 HIS : no HE2:sc= -1.03 K(o=-0.89,f=-6.2!) USER MOD Set 5.2: A 58 THR OG1 : rot 180:sc= 0.136 USER MOD Set 6.1: A 51 GLN : amide:sc= -0.67 K(o=-3,f=-4.1) USER MOD Set 6.2: A 53 TYR OH : rot 116:sc= 0.327 USER MOD Set 6.3: A 57 HIS : no HD1:sc= -1.8 K(o=-3,f=-3.6) USER MOD Set 6.4: A 59 MET CE :methyl 147:sc= -0.159 (180deg=-1.27) USER MOD Set 6.5: A 61 ASN : amide:sc= -0.705 K(o=-3,f=-9.8) USER MOD Set 6.6: A 74 MET CE :methyl -162:sc= 0 (180deg=-0.201) USER MOD Set 7.1: A 50 SER OG : rot -77:sc= 0.46 USER MOD Set 7.2: A 60 THR OG1 : rot 33:sc= 0.595 USER MOD Set 8.1: A 14 TYR OH : rot -42:sc= 1.04 USER MOD Set 8.2: A 18 MET CE :methyl 168:sc= 0 (180deg=-0.059) USER MOD Set 9.1: A 12 LYS NZ :NH3+ 179:sc= 0.0424 (180deg=0) USER MOD Set 9.2: A 13 ASN : amide:sc= -0.0398 K(o=0.0026,f=-2!) USER MOD Set10.1: A 8 MET CE :methyl -170:sc= -0.052 (180deg=-0.227) USER MOD Set10.2: A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 86:sc= 0.177 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -127:sc= 0.168 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.322 X(o=-0.32,f=-0.44) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= -1.22 K(o=-1.2,f=-5.2!) USER MOD Single : A 45 GLN : amide:sc= 1.04 K(o=1,f=-1.4!) USER MOD Single : A 48 THR OG1 : rot 47:sc= 1.15 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -16:sc= 0.128 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -5:sc= 0.898 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -0.0356 X(o=-0.036,f=-0.44) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.96!) USER MOD Single : A 85 MET CE :methyl 180:sc= -0.0184 (180deg=-0.0184) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 96 ASN : amide:sc= -1.87! C(o=-1.9!,f=-2.1!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.414 9.000 13.620 1.00 0.00 N ATOM 2 CA ALA A 1 2.700 8.424 13.261 1.00 0.00 C ATOM 3 C ALA A 1 2.470 7.091 12.588 1.00 0.00 C ATOM 4 O ALA A 1 2.973 6.088 13.065 1.00 0.00 O ATOM 5 CB ALA A 1 3.591 8.305 14.525 1.00 0.00 C ATOM 0 H1 ALA A 1 1.563 9.919 14.084 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.842 9.134 12.762 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.916 8.360 14.271 1.00 0.00 H new ATOM 0 HA ALA A 1 3.228 9.067 12.557 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.554 7.873 14.252 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.746 9.294 14.955 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.100 7.664 15.257 1.00 0.00 H new ATOM 11 N PHE A 2 1.701 7.076 11.474 1.00 0.00 N ATOM 12 CA PHE A 2 1.426 5.820 10.775 1.00 0.00 C ATOM 13 C PHE A 2 0.922 4.802 11.768 1.00 0.00 C ATOM 14 O PHE A 2 1.555 3.780 11.966 1.00 0.00 O ATOM 15 CB PHE A 2 2.686 5.337 10.013 1.00 0.00 C ATOM 16 CG PHE A 2 2.866 6.159 8.734 1.00 0.00 C ATOM 17 CD1 PHE A 2 2.078 5.871 7.614 1.00 0.00 C ATOM 18 CD2 PHE A 2 3.814 7.187 8.675 1.00 0.00 C ATOM 19 CE1 PHE A 2 2.282 6.564 6.419 1.00 0.00 C ATOM 20 CE2 PHE A 2 4.026 7.874 7.477 1.00 0.00 C ATOM 21 CZ PHE A 2 3.281 7.533 6.346 1.00 0.00 C ATOM 0 H PHE A 2 1.274 7.903 11.056 1.00 0.00 H new ATOM 0 HA PHE A 2 0.649 5.969 10.025 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.567 5.437 10.648 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.590 4.280 9.766 1.00 0.00 H new ATOM 0 HD1 PHE A 2 1.312 5.112 7.674 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.382 7.449 9.556 1.00 0.00 H new ATOM 0 HE1 PHE A 2 1.669 6.350 5.556 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.761 8.664 7.426 1.00 0.00 H new ATOM 0 HZ PHE A 2 3.481 8.025 5.406 1.00 0.00 H new ATOM 31 N THR A 3 -0.231 5.078 12.413 1.00 0.00 N ATOM 32 CA THR A 3 -0.747 4.152 13.416 1.00 0.00 C ATOM 33 C THR A 3 -2.241 4.364 13.508 1.00 0.00 C ATOM 34 O THR A 3 -2.643 5.426 13.958 1.00 0.00 O ATOM 35 CB THR A 3 -0.045 4.448 14.768 1.00 0.00 C ATOM 36 OG1 THR A 3 1.347 4.109 14.635 1.00 0.00 O ATOM 37 CG2 THR A 3 -0.684 3.642 15.931 1.00 0.00 C ATOM 0 H THR A 3 -0.800 5.910 12.257 1.00 0.00 H new ATOM 0 HA THR A 3 -0.551 3.113 13.153 1.00 0.00 H new ATOM 0 HB THR A 3 -0.161 5.505 15.008 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.834 4.869 14.254 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.167 3.875 16.862 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.737 3.910 16.024 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.598 2.575 15.725 1.00 0.00 H new ATOM 45 N GLY A 4 -3.076 3.390 13.084 1.00 0.00 N ATOM 46 CA GLY A 4 -4.519 3.592 13.139 1.00 0.00 C ATOM 47 C GLY A 4 -5.227 2.609 12.244 1.00 0.00 C ATOM 48 O GLY A 4 -4.568 1.715 11.737 1.00 0.00 O ATOM 0 H GLY A 4 -2.778 2.488 12.713 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.869 3.475 14.165 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.761 4.610 12.833 1.00 0.00 H new ATOM 52 N LYS A 5 -6.557 2.772 12.050 1.00 0.00 N ATOM 53 CA LYS A 5 -7.303 1.897 11.148 1.00 0.00 C ATOM 54 C LYS A 5 -7.777 2.724 9.981 1.00 0.00 C ATOM 55 O LYS A 5 -8.080 3.888 10.185 1.00 0.00 O ATOM 56 CB LYS A 5 -8.460 1.197 11.904 1.00 0.00 C ATOM 57 CG LYS A 5 -9.405 0.397 10.966 1.00 0.00 C ATOM 58 CD LYS A 5 -10.346 -0.582 11.727 1.00 0.00 C ATOM 59 CE LYS A 5 -11.274 0.093 12.784 1.00 0.00 C ATOM 60 NZ LYS A 5 -10.733 0.068 14.165 1.00 0.00 N ATOM 0 H LYS A 5 -7.118 3.493 12.503 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.669 1.096 10.767 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.042 0.522 12.651 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.041 1.947 12.442 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.010 1.097 10.389 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.804 -0.168 10.253 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.967 -1.106 11.000 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.737 -1.335 12.227 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.448 1.129 12.491 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.242 -0.408 12.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.404 0.534 14.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.593 -0.918 14.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.823 0.571 14.190 1.00 0.00 H new ATOM 74 N PHE A 6 -7.828 2.142 8.760 1.00 0.00 N ATOM 75 CA PHE A 6 -8.202 2.907 7.579 1.00 0.00 C ATOM 76 C PHE A 6 -8.961 2.032 6.617 1.00 0.00 C ATOM 77 O PHE A 6 -8.976 0.833 6.841 1.00 0.00 O ATOM 78 CB PHE A 6 -6.923 3.414 6.860 1.00 0.00 C ATOM 79 CG PHE A 6 -5.952 4.153 7.783 1.00 0.00 C ATOM 80 CD1 PHE A 6 -5.038 3.430 8.557 1.00 0.00 C ATOM 81 CD2 PHE A 6 -5.951 5.551 7.840 1.00 0.00 C ATOM 82 CE1 PHE A 6 -4.155 4.096 9.409 1.00 0.00 C ATOM 83 CE2 PHE A 6 -5.050 6.220 8.673 1.00 0.00 C ATOM 84 CZ PHE A 6 -4.185 5.491 9.494 1.00 0.00 C ATOM 0 H PHE A 6 -7.616 1.160 8.582 1.00 0.00 H new ATOM 0 HA PHE A 6 -8.823 3.746 7.892 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -6.408 2.565 6.411 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -7.213 4.078 6.046 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -5.015 2.352 8.495 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.649 6.115 7.238 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -3.449 3.534 10.002 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -5.022 7.300 8.682 1.00 0.00 H new ATOM 0 HZ PHE A 6 -3.541 6.004 10.193 1.00 0.00 H new ATOM 94 N GLU A 7 -9.566 2.583 5.539 1.00 0.00 N ATOM 95 CA GLU A 7 -10.113 1.710 4.502 1.00 0.00 C ATOM 96 C GLU A 7 -10.154 2.438 3.182 1.00 0.00 C ATOM 97 O GLU A 7 -10.352 3.642 3.199 1.00 0.00 O ATOM 98 CB GLU A 7 -11.511 1.131 4.850 1.00 0.00 C ATOM 99 CG GLU A 7 -12.635 2.184 4.670 1.00 0.00 C ATOM 100 CD GLU A 7 -13.929 1.748 5.309 1.00 0.00 C ATOM 101 OE1 GLU A 7 -14.245 0.529 5.255 1.00 0.00 O ATOM 102 OE2 GLU A 7 -14.642 2.624 5.872 1.00 0.00 O ATOM 0 H GLU A 7 -9.680 3.584 5.377 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.443 0.853 4.431 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.716 0.270 4.214 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.510 0.774 5.880 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.317 3.131 5.106 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.798 2.361 3.607 1.00 0.00 H new ATOM 109 N MET A 8 -9.970 1.717 2.053 1.00 0.00 N ATOM 110 CA MET A 8 -9.901 2.376 0.750 1.00 0.00 C ATOM 111 C MET A 8 -11.090 3.299 0.580 1.00 0.00 C ATOM 112 O MET A 8 -12.182 2.845 0.882 1.00 0.00 O ATOM 113 CB MET A 8 -9.935 1.309 -0.378 1.00 0.00 C ATOM 114 CG MET A 8 -9.609 1.897 -1.778 1.00 0.00 C ATOM 115 SD MET A 8 -10.710 1.077 -2.979 1.00 0.00 S ATOM 116 CE MET A 8 -12.124 2.205 -2.787 1.00 0.00 C ATOM 0 H MET A 8 -9.870 0.702 2.026 1.00 0.00 H new ATOM 0 HA MET A 8 -8.975 2.949 0.693 1.00 0.00 H new ATOM 0 HB2 MET A 8 -9.220 0.520 -0.146 1.00 0.00 H new ATOM 0 HB3 MET A 8 -10.922 0.847 -0.405 1.00 0.00 H new ATOM 0 HG2 MET A 8 -9.765 2.976 -1.788 1.00 0.00 H new ATOM 0 HG3 MET A 8 -8.564 1.724 -2.034 1.00 0.00 H new ATOM 0 HE1 MET A 8 -12.991 1.792 -3.303 1.00 0.00 H new ATOM 0 HE2 MET A 8 -12.354 2.323 -1.728 1.00 0.00 H new ATOM 0 HE3 MET A 8 -11.875 3.176 -3.215 1.00 0.00 H new ATOM 126 N GLU A 9 -10.924 4.563 0.114 1.00 0.00 N ATOM 127 CA GLU A 9 -12.083 5.428 -0.130 1.00 0.00 C ATOM 128 C GLU A 9 -12.430 5.440 -1.604 1.00 0.00 C ATOM 129 O GLU A 9 -13.562 5.114 -1.927 1.00 0.00 O ATOM 130 CB GLU A 9 -11.843 6.883 0.362 1.00 0.00 C ATOM 131 CG GLU A 9 -13.107 7.768 0.191 1.00 0.00 C ATOM 132 CD GLU A 9 -12.884 9.193 0.631 1.00 0.00 C ATOM 133 OE1 GLU A 9 -11.727 9.686 0.542 1.00 0.00 O ATOM 134 OE2 GLU A 9 -13.875 9.838 1.070 1.00 0.00 O ATOM 0 H GLU A 9 -10.020 4.988 -0.093 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.915 5.016 0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.550 6.868 1.412 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.014 7.322 -0.194 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.413 7.759 -0.855 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -13.927 7.338 0.767 1.00 0.00 H new ATOM 141 N SER A 10 -11.487 5.831 -2.500 1.00 0.00 N ATOM 142 CA SER A 10 -11.820 6.055 -3.913 1.00 0.00 C ATOM 143 C SER A 10 -10.853 5.409 -4.890 1.00 0.00 C ATOM 144 O SER A 10 -11.324 4.643 -5.716 1.00 0.00 O ATOM 145 CB SER A 10 -11.874 7.583 -4.169 1.00 0.00 C ATOM 146 OG SER A 10 -12.921 8.152 -3.365 1.00 0.00 O ATOM 0 H SER A 10 -10.508 5.993 -2.265 1.00 0.00 H new ATOM 0 HA SER A 10 -12.785 5.580 -4.092 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.917 8.041 -3.921 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.058 7.782 -5.225 1.00 0.00 H new ATOM 0 HG SER A 10 -12.962 9.119 -3.518 1.00 0.00 H new ATOM 152 N GLU A 11 -9.534 5.714 -4.829 1.00 0.00 N ATOM 153 CA GLU A 11 -8.554 5.230 -5.810 1.00 0.00 C ATOM 154 C GLU A 11 -8.469 6.158 -6.999 1.00 0.00 C ATOM 155 O GLU A 11 -9.449 6.817 -7.308 1.00 0.00 O ATOM 156 CB GLU A 11 -8.691 3.784 -6.366 1.00 0.00 C ATOM 157 CG GLU A 11 -8.649 2.729 -5.238 1.00 0.00 C ATOM 158 CD GLU A 11 -8.640 1.308 -5.751 1.00 0.00 C ATOM 159 OE1 GLU A 11 -8.920 1.088 -6.962 1.00 0.00 O ATOM 160 OE2 GLU A 11 -8.350 0.389 -4.939 1.00 0.00 O ATOM 0 H GLU A 11 -9.129 6.300 -4.099 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.654 5.212 -5.196 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.629 3.693 -6.914 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.887 3.590 -7.076 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.761 2.894 -4.628 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.512 2.868 -4.587 1.00 0.00 H new ATOM 167 N LYS A 12 -7.297 6.190 -7.682 1.00 0.00 N ATOM 168 CA LYS A 12 -7.157 6.971 -8.910 1.00 0.00 C ATOM 169 C LYS A 12 -5.977 6.430 -9.690 1.00 0.00 C ATOM 170 O LYS A 12 -4.987 6.115 -9.052 1.00 0.00 O ATOM 171 CB LYS A 12 -6.955 8.467 -8.562 1.00 0.00 C ATOM 172 CG LYS A 12 -6.627 9.311 -9.822 1.00 0.00 C ATOM 173 CD LYS A 12 -6.502 10.821 -9.484 1.00 0.00 C ATOM 174 CE LYS A 12 -6.380 11.710 -10.755 1.00 0.00 C ATOM 175 NZ LYS A 12 -5.231 11.350 -11.618 1.00 0.00 N ATOM 0 H LYS A 12 -6.455 5.689 -7.399 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.058 6.889 -9.518 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.857 8.855 -8.089 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.147 8.566 -7.837 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.695 8.958 -10.264 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.408 9.169 -10.569 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.373 11.134 -8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.629 10.977 -8.851 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.299 11.630 -11.335 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.284 12.753 -10.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.218 11.968 -12.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.346 11.469 -11.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.322 10.359 -11.922 1.00 0.00 H new ATOM 189 N ASN A 13 -6.061 6.294 -11.036 1.00 0.00 N ATOM 190 CA ASN A 13 -4.986 5.652 -11.800 1.00 0.00 C ATOM 191 C ASN A 13 -4.743 4.207 -11.397 1.00 0.00 C ATOM 192 O ASN A 13 -3.708 3.659 -11.747 1.00 0.00 O ATOM 193 CB ASN A 13 -3.694 6.513 -11.772 1.00 0.00 C ATOM 194 CG ASN A 13 -3.888 7.907 -12.317 1.00 0.00 C ATOM 195 OD1 ASN A 13 -4.981 8.252 -12.740 1.00 0.00 O ATOM 196 ND2 ASN A 13 -2.819 8.734 -12.318 1.00 0.00 N ATOM 0 H ASN A 13 -6.849 6.616 -11.598 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.320 5.599 -12.836 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.333 6.580 -10.746 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.919 6.010 -12.350 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.909 9.683 -12.681 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.922 8.409 -11.956 1.00 0.00 H new ATOM 203 N TYR A 14 -5.688 3.556 -10.680 1.00 0.00 N ATOM 204 CA TYR A 14 -5.517 2.154 -10.304 1.00 0.00 C ATOM 205 C TYR A 14 -5.454 1.222 -11.496 1.00 0.00 C ATOM 206 O TYR A 14 -4.570 0.383 -11.533 1.00 0.00 O ATOM 207 CB TYR A 14 -6.673 1.731 -9.352 1.00 0.00 C ATOM 208 CG TYR A 14 -6.806 0.212 -9.263 1.00 0.00 C ATOM 209 CD1 TYR A 14 -7.582 -0.459 -10.212 1.00 0.00 C ATOM 210 CD2 TYR A 14 -6.166 -0.508 -8.251 1.00 0.00 C ATOM 211 CE1 TYR A 14 -7.640 -1.852 -10.204 1.00 0.00 C ATOM 212 CE2 TYR A 14 -6.279 -1.899 -8.209 1.00 0.00 C ATOM 213 CZ TYR A 14 -6.983 -2.576 -9.208 1.00 0.00 C ATOM 214 OH TYR A 14 -7.011 -3.963 -9.203 1.00 0.00 O ATOM 0 H TYR A 14 -6.559 3.980 -10.360 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.556 2.069 -9.796 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.493 2.139 -8.357 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.611 2.158 -9.707 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.136 0.101 -10.951 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.585 0.010 -7.503 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.195 -2.372 -10.971 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.821 -2.453 -7.403 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.915 -4.273 -9.419 1.00 0.00 H new ATOM 224 N ASP A 15 -6.384 1.300 -12.469 1.00 0.00 N ATOM 225 CA ASP A 15 -6.461 0.236 -13.473 1.00 0.00 C ATOM 226 C ASP A 15 -5.179 0.066 -14.256 1.00 0.00 C ATOM 227 O ASP A 15 -4.577 -0.995 -14.187 1.00 0.00 O ATOM 228 CB ASP A 15 -7.648 0.443 -14.451 1.00 0.00 C ATOM 229 CG ASP A 15 -8.951 0.173 -13.743 1.00 0.00 C ATOM 230 OD1 ASP A 15 -9.197 -1.016 -13.404 1.00 0.00 O ATOM 231 OD2 ASP A 15 -9.733 1.137 -13.515 1.00 0.00 O ATOM 0 H ASP A 15 -7.061 2.055 -12.575 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.627 -0.680 -12.906 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.639 1.462 -14.837 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.545 -0.223 -15.308 1.00 0.00 H new ATOM 236 N GLU A 16 -4.748 1.086 -15.027 1.00 0.00 N ATOM 237 CA GLU A 16 -3.576 0.897 -15.881 1.00 0.00 C ATOM 238 C GLU A 16 -2.368 0.555 -15.041 1.00 0.00 C ATOM 239 O GLU A 16 -1.626 -0.341 -15.406 1.00 0.00 O ATOM 240 CB GLU A 16 -3.239 2.136 -16.754 1.00 0.00 C ATOM 241 CG GLU A 16 -4.395 2.509 -17.719 1.00 0.00 C ATOM 242 CD GLU A 16 -3.908 3.509 -18.736 1.00 0.00 C ATOM 243 OE1 GLU A 16 -3.771 4.709 -18.372 1.00 0.00 O ATOM 244 OE2 GLU A 16 -3.654 3.106 -19.904 1.00 0.00 O ATOM 0 H GLU A 16 -5.178 2.010 -15.072 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.827 0.079 -16.556 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.021 2.985 -16.107 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.337 1.936 -17.332 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.764 1.615 -18.222 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.230 2.926 -17.157 1.00 0.00 H new ATOM 251 N PHE A 17 -2.137 1.229 -13.896 1.00 0.00 N ATOM 252 CA PHE A 17 -1.008 0.828 -13.057 1.00 0.00 C ATOM 253 C PHE A 17 -0.895 -0.669 -12.909 1.00 0.00 C ATOM 254 O PHE A 17 0.212 -1.179 -12.916 1.00 0.00 O ATOM 255 CB PHE A 17 -1.222 1.341 -11.618 1.00 0.00 C ATOM 256 CG PHE A 17 -0.034 0.994 -10.716 1.00 0.00 C ATOM 257 CD1 PHE A 17 1.156 1.695 -10.932 1.00 0.00 C ATOM 258 CD2 PHE A 17 -0.135 0.056 -9.684 1.00 0.00 C ATOM 259 CE1 PHE A 17 2.269 1.423 -10.142 1.00 0.00 C ATOM 260 CE2 PHE A 17 0.965 -0.157 -8.851 1.00 0.00 C ATOM 261 CZ PHE A 17 2.193 0.423 -9.175 1.00 0.00 C ATOM 0 H PHE A 17 -2.690 2.013 -13.550 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.122 1.237 -13.542 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.365 2.421 -11.633 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.132 0.905 -11.207 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.211 2.444 -11.708 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.051 -0.496 -9.533 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.183 1.982 -10.277 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.867 -0.765 -7.964 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.091 0.094 -8.672 1.00 0.00 H new ATOM 271 N MET A 18 -2.040 -1.369 -12.764 1.00 0.00 N ATOM 272 CA MET A 18 -2.012 -2.804 -12.505 1.00 0.00 C ATOM 273 C MET A 18 -1.751 -3.532 -13.801 1.00 0.00 C ATOM 274 O MET A 18 -1.056 -4.536 -13.773 1.00 0.00 O ATOM 275 CB MET A 18 -3.337 -3.247 -11.830 1.00 0.00 C ATOM 276 CG MET A 18 -3.511 -2.577 -10.439 1.00 0.00 C ATOM 277 SD MET A 18 -2.287 -3.193 -9.234 1.00 0.00 S ATOM 278 CE MET A 18 -3.262 -4.427 -8.319 1.00 0.00 C ATOM 0 H MET A 18 -2.974 -0.963 -12.822 1.00 0.00 H new ATOM 0 HA MET A 18 -1.207 -3.052 -11.814 1.00 0.00 H new ATOM 0 HB2 MET A 18 -4.179 -2.985 -12.470 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.346 -4.331 -11.718 1.00 0.00 H new ATOM 0 HG2 MET A 18 -3.410 -1.496 -10.540 1.00 0.00 H new ATOM 0 HG3 MET A 18 -4.517 -2.769 -10.066 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.597 -5.031 -7.701 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.987 -3.919 -7.683 1.00 0.00 H new ATOM 0 HE3 MET A 18 -3.787 -5.072 -9.024 1.00 0.00 H new ATOM 288 N LYS A 19 -2.281 -3.043 -14.949 1.00 0.00 N ATOM 289 CA LYS A 19 -1.998 -3.713 -16.216 1.00 0.00 C ATOM 290 C LYS A 19 -0.509 -3.671 -16.497 1.00 0.00 C ATOM 291 O LYS A 19 0.002 -4.641 -17.036 1.00 0.00 O ATOM 292 CB LYS A 19 -2.918 -3.226 -17.381 1.00 0.00 C ATOM 293 CG LYS A 19 -2.329 -2.049 -18.195 1.00 0.00 C ATOM 294 CD LYS A 19 -3.306 -1.446 -19.245 1.00 0.00 C ATOM 295 CE LYS A 19 -3.656 -2.423 -20.402 1.00 0.00 C ATOM 296 NZ LYS A 19 -4.452 -1.749 -21.453 1.00 0.00 N ATOM 0 H LYS A 19 -2.881 -2.221 -15.013 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.262 -4.767 -16.132 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.108 -4.062 -18.055 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.881 -2.924 -16.969 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.024 -1.262 -17.505 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.429 -2.391 -18.707 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.226 -1.146 -18.743 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.863 -0.543 -19.665 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.738 -2.820 -20.836 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.215 -3.272 -20.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.670 -2.426 -22.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.338 -1.392 -21.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.908 -0.954 -21.845 1.00 0.00 H new ATOM 310 N LEU A 20 0.220 -2.588 -16.126 1.00 0.00 N ATOM 311 CA LEU A 20 1.680 -2.603 -16.265 1.00 0.00 C ATOM 312 C LEU A 20 2.268 -3.466 -15.168 1.00 0.00 C ATOM 313 O LEU A 20 3.075 -4.332 -15.468 1.00 0.00 O ATOM 314 CB LEU A 20 2.364 -1.208 -16.137 1.00 0.00 C ATOM 315 CG LEU A 20 2.282 -0.325 -17.416 1.00 0.00 C ATOM 316 CD1 LEU A 20 0.819 0.046 -17.769 1.00 0.00 C ATOM 317 CD2 LEU A 20 3.122 0.964 -17.213 1.00 0.00 C ATOM 0 H LEU A 20 -0.171 -1.727 -15.743 1.00 0.00 H new ATOM 0 HA LEU A 20 1.868 -2.977 -17.271 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.905 -0.668 -15.309 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.413 -1.355 -15.880 1.00 0.00 H new ATOM 0 HG LEU A 20 2.684 -0.902 -18.249 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.807 0.663 -18.668 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.245 -0.864 -17.945 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.375 0.601 -16.942 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.064 1.581 -18.109 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.732 1.522 -16.362 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.161 0.695 -17.025 1.00 0.00 H new ATOM 329 N LEU A 21 1.888 -3.215 -13.893 1.00 0.00 N ATOM 330 CA LEU A 21 2.520 -3.899 -12.761 1.00 0.00 C ATOM 331 C LEU A 21 2.628 -5.383 -13.029 1.00 0.00 C ATOM 332 O LEU A 21 3.655 -5.965 -12.717 1.00 0.00 O ATOM 333 CB LEU A 21 1.718 -3.643 -11.452 1.00 0.00 C ATOM 334 CG LEU A 21 2.408 -4.072 -10.127 1.00 0.00 C ATOM 335 CD1 LEU A 21 3.651 -3.189 -9.824 1.00 0.00 C ATOM 336 CD2 LEU A 21 1.408 -3.907 -8.950 1.00 0.00 C ATOM 0 H LEU A 21 1.157 -2.552 -13.634 1.00 0.00 H new ATOM 0 HA LEU A 21 3.525 -3.496 -12.636 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.493 -2.578 -11.391 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.765 -4.167 -11.527 1.00 0.00 H new ATOM 0 HG LEU A 21 2.723 -5.110 -10.236 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.110 -3.515 -8.891 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.372 -3.284 -10.636 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.344 -2.147 -9.732 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.889 -4.207 -8.019 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.099 -2.864 -8.879 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.534 -4.534 -9.125 1.00 0.00 H new ATOM 348 N GLY A 22 1.574 -5.986 -13.628 1.00 0.00 N ATOM 349 CA GLY A 22 1.617 -7.393 -14.020 1.00 0.00 C ATOM 350 C GLY A 22 0.604 -8.149 -13.199 1.00 0.00 C ATOM 351 O GLY A 22 1.002 -8.939 -12.358 1.00 0.00 O ATOM 0 H GLY A 22 0.695 -5.515 -13.844 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.397 -7.497 -15.083 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.615 -7.801 -13.859 1.00 0.00 H new ATOM 355 N ILE A 23 -0.706 -7.893 -13.436 1.00 0.00 N ATOM 356 CA ILE A 23 -1.764 -8.486 -12.619 1.00 0.00 C ATOM 357 C ILE A 23 -2.801 -9.094 -13.537 1.00 0.00 C ATOM 358 O ILE A 23 -2.861 -8.680 -14.684 1.00 0.00 O ATOM 359 CB ILE A 23 -2.377 -7.351 -11.752 1.00 0.00 C ATOM 360 CG1 ILE A 23 -1.314 -6.585 -10.912 1.00 0.00 C ATOM 361 CG2 ILE A 23 -3.525 -7.869 -10.851 1.00 0.00 C ATOM 362 CD1 ILE A 23 -0.642 -7.414 -9.787 1.00 0.00 C ATOM 0 H ILE A 23 -1.041 -7.284 -14.182 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.382 -9.272 -11.968 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.798 -6.634 -12.457 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.538 -6.218 -11.584 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.788 -5.711 -10.465 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.926 -7.044 -10.262 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.316 -8.288 -11.474 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.143 -8.640 -10.182 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.082 -6.793 -9.260 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.402 -7.759 -9.086 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.133 -8.274 -10.223 1.00 0.00 H new ATOM 374 N SER A 24 -3.611 -10.076 -13.068 1.00 0.00 N ATOM 375 CA SER A 24 -4.557 -10.741 -13.969 1.00 0.00 C ATOM 376 C SER A 24 -5.866 -9.992 -14.057 1.00 0.00 C ATOM 377 O SER A 24 -6.378 -9.616 -13.016 1.00 0.00 O ATOM 378 CB SER A 24 -4.864 -12.196 -13.532 1.00 0.00 C ATOM 379 OG SER A 24 -5.771 -12.786 -14.480 1.00 0.00 O ATOM 0 H SER A 24 -3.623 -10.409 -12.104 1.00 0.00 H new ATOM 0 HA SER A 24 -4.070 -10.753 -14.944 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.943 -12.776 -13.480 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.303 -12.205 -12.534 1.00 0.00 H new ATOM 0 HG SER A 24 -5.970 -13.708 -14.213 1.00 0.00 H new ATOM 385 N SER A 25 -6.429 -9.780 -15.272 1.00 0.00 N ATOM 386 CA SER A 25 -7.663 -9.004 -15.400 1.00 0.00 C ATOM 387 C SER A 25 -8.714 -9.408 -14.394 1.00 0.00 C ATOM 388 O SER A 25 -9.372 -8.534 -13.851 1.00 0.00 O ATOM 389 CB SER A 25 -8.292 -9.154 -16.811 1.00 0.00 C ATOM 390 OG SER A 25 -9.536 -8.438 -16.905 1.00 0.00 O ATOM 0 H SER A 25 -6.050 -10.131 -16.152 1.00 0.00 H new ATOM 0 HA SER A 25 -7.365 -7.971 -15.221 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.597 -8.781 -17.563 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.460 -10.209 -17.027 1.00 0.00 H new ATOM 0 HG SER A 25 -9.910 -8.548 -17.804 1.00 0.00 H new ATOM 396 N ASP A 26 -8.888 -10.724 -14.138 1.00 0.00 N ATOM 397 CA ASP A 26 -9.932 -11.150 -13.209 1.00 0.00 C ATOM 398 C ASP A 26 -9.767 -10.426 -11.895 1.00 0.00 C ATOM 399 O ASP A 26 -10.732 -9.864 -11.400 1.00 0.00 O ATOM 400 CB ASP A 26 -9.880 -12.679 -12.946 1.00 0.00 C ATOM 401 CG ASP A 26 -10.914 -13.062 -11.918 1.00 0.00 C ATOM 402 OD1 ASP A 26 -12.079 -13.338 -12.314 1.00 0.00 O ATOM 403 OD2 ASP A 26 -10.569 -13.086 -10.704 1.00 0.00 O ATOM 0 H ASP A 26 -8.336 -11.477 -14.549 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.894 -10.910 -13.662 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.060 -13.222 -13.874 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -8.887 -12.963 -12.598 1.00 0.00 H new ATOM 408 N VAL A 27 -8.542 -10.440 -11.322 1.00 0.00 N ATOM 409 CA VAL A 27 -8.335 -9.810 -10.022 1.00 0.00 C ATOM 410 C VAL A 27 -8.157 -8.315 -10.166 1.00 0.00 C ATOM 411 O VAL A 27 -8.418 -7.622 -9.195 1.00 0.00 O ATOM 412 CB VAL A 27 -7.183 -10.464 -9.204 1.00 0.00 C ATOM 413 CG1 VAL A 27 -7.364 -12.004 -9.106 1.00 0.00 C ATOM 414 CG2 VAL A 27 -5.776 -10.094 -9.727 1.00 0.00 C ATOM 0 H VAL A 27 -7.713 -10.869 -11.733 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.240 -9.983 -9.440 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.250 -10.047 -8.199 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.544 -12.431 -8.529 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.310 -12.229 -8.613 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.366 -12.435 -10.107 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.019 -10.583 -9.113 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.673 -10.425 -10.761 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.642 -9.013 -9.677 1.00 0.00 H new ATOM 424 N ILE A 28 -7.738 -7.773 -11.336 1.00 0.00 N ATOM 425 CA ILE A 28 -7.699 -6.319 -11.472 1.00 0.00 C ATOM 426 C ILE A 28 -9.087 -5.803 -11.160 1.00 0.00 C ATOM 427 O ILE A 28 -9.218 -4.862 -10.394 1.00 0.00 O ATOM 428 CB ILE A 28 -7.225 -5.778 -12.861 1.00 0.00 C ATOM 429 CG1 ILE A 28 -5.759 -6.220 -13.145 1.00 0.00 C ATOM 430 CG2 ILE A 28 -7.330 -4.227 -12.900 1.00 0.00 C ATOM 431 CD1 ILE A 28 -5.178 -5.775 -14.510 1.00 0.00 C ATOM 0 H ILE A 28 -7.438 -8.301 -12.156 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.942 -5.955 -10.777 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.872 -6.195 -13.633 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.120 -5.828 -12.353 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.708 -7.307 -13.086 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.997 -3.864 -13.872 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.365 -3.928 -12.736 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.701 -3.800 -12.119 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.154 -6.135 -14.604 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.784 -6.189 -15.316 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.187 -4.687 -14.572 1.00 0.00 H new ATOM 443 N GLU A 29 -10.148 -6.409 -11.736 1.00 0.00 N ATOM 444 CA GLU A 29 -11.496 -5.915 -11.459 1.00 0.00 C ATOM 445 C GLU A 29 -11.803 -5.962 -9.977 1.00 0.00 C ATOM 446 O GLU A 29 -12.534 -5.101 -9.512 1.00 0.00 O ATOM 447 CB GLU A 29 -12.590 -6.711 -12.222 1.00 0.00 C ATOM 448 CG GLU A 29 -12.503 -6.530 -13.763 1.00 0.00 C ATOM 449 CD GLU A 29 -12.628 -5.076 -14.145 1.00 0.00 C ATOM 450 OE1 GLU A 29 -13.762 -4.533 -14.055 1.00 0.00 O ATOM 451 OE2 GLU A 29 -11.595 -4.462 -14.530 1.00 0.00 O ATOM 0 H GLU A 29 -10.095 -7.207 -12.369 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.513 -4.883 -11.808 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.498 -7.770 -11.979 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.573 -6.389 -11.878 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.554 -6.925 -14.126 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.293 -7.106 -14.245 1.00 0.00 H new ATOM 458 N LYS A 30 -11.271 -6.941 -9.207 1.00 0.00 N ATOM 459 CA LYS A 30 -11.583 -6.981 -7.779 1.00 0.00 C ATOM 460 C LYS A 30 -11.087 -5.705 -7.139 1.00 0.00 C ATOM 461 O LYS A 30 -11.907 -4.905 -6.716 1.00 0.00 O ATOM 462 CB LYS A 30 -11.019 -8.247 -7.068 1.00 0.00 C ATOM 463 CG LYS A 30 -11.299 -8.247 -5.538 1.00 0.00 C ATOM 464 CD LYS A 30 -10.755 -9.540 -4.868 1.00 0.00 C ATOM 465 CE LYS A 30 -10.860 -9.525 -3.316 1.00 0.00 C ATOM 466 NZ LYS A 30 -12.253 -9.468 -2.815 1.00 0.00 N ATOM 0 H LYS A 30 -10.651 -7.679 -9.542 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.665 -7.052 -7.663 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.461 -9.138 -7.515 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.944 -8.306 -7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.834 -7.374 -5.080 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.372 -8.166 -5.362 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.305 -10.399 -5.253 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.712 -9.676 -5.153 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.377 -10.418 -2.919 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.309 -8.667 -2.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.350 -8.676 -2.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.904 -9.329 -3.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.484 -10.359 -2.331 1.00 0.00 H new ATOM 480 N ALA A 31 -9.754 -5.478 -7.067 1.00 0.00 N ATOM 481 CA ALA A 31 -9.254 -4.286 -6.379 1.00 0.00 C ATOM 482 C ALA A 31 -9.561 -3.006 -7.128 1.00 0.00 C ATOM 483 O ALA A 31 -9.263 -1.950 -6.590 1.00 0.00 O ATOM 484 CB ALA A 31 -7.762 -4.433 -5.976 1.00 0.00 C ATOM 0 H ALA A 31 -9.037 -6.085 -7.464 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.807 -4.202 -5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.431 -3.527 -5.468 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.648 -5.286 -5.307 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.158 -4.590 -6.869 1.00 0.00 H new ATOM 490 N ARG A 32 -10.175 -3.042 -8.336 1.00 0.00 N ATOM 491 CA ARG A 32 -10.667 -1.805 -8.938 1.00 0.00 C ATOM 492 C ARG A 32 -11.766 -1.260 -8.058 1.00 0.00 C ATOM 493 O ARG A 32 -11.719 -0.083 -7.732 1.00 0.00 O ATOM 494 CB ARG A 32 -11.237 -2.037 -10.366 1.00 0.00 C ATOM 495 CG ARG A 32 -11.673 -0.719 -11.059 1.00 0.00 C ATOM 496 CD ARG A 32 -12.353 -1.003 -12.427 1.00 0.00 C ATOM 497 NE ARG A 32 -12.625 0.259 -13.121 1.00 0.00 N ATOM 498 CZ ARG A 32 -13.660 1.039 -12.874 1.00 0.00 C ATOM 499 NH1 ARG A 32 -14.569 0.776 -11.963 1.00 0.00 N ATOM 500 NH2 ARG A 32 -13.792 2.143 -13.576 1.00 0.00 N ATOM 0 H ARG A 32 -10.332 -3.887 -8.886 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.834 -1.107 -9.022 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.483 -2.532 -10.978 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -12.091 -2.711 -10.306 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.363 -0.176 -10.413 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.804 -0.078 -11.208 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.708 -1.633 -13.040 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -13.282 -1.551 -12.274 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.969 0.554 -13.844 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -14.496 -0.071 -11.400 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -15.347 1.419 -11.819 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.104 2.378 -14.291 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.583 2.764 -13.406 1.00 0.00 H new ATOM 514 N ASN A 33 -12.761 -2.100 -7.679 1.00 0.00 N ATOM 515 CA ASN A 33 -13.907 -1.599 -6.922 1.00 0.00 C ATOM 516 C ASN A 33 -14.265 -2.542 -5.795 1.00 0.00 C ATOM 517 O ASN A 33 -15.437 -2.819 -5.592 1.00 0.00 O ATOM 518 CB ASN A 33 -15.067 -1.363 -7.925 1.00 0.00 C ATOM 519 CG ASN A 33 -16.264 -0.709 -7.274 1.00 0.00 C ATOM 520 OD1 ASN A 33 -17.282 -1.363 -7.109 1.00 0.00 O ATOM 521 ND2 ASN A 33 -16.172 0.584 -6.892 1.00 0.00 N ATOM 0 H ASN A 33 -12.784 -3.099 -7.884 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.674 -0.652 -6.435 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -14.714 -0.736 -8.744 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -15.368 -2.316 -8.360 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.969 1.043 -6.451 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -15.306 1.101 -7.045 1.00 0.00 H new ATOM 528 N PHE A 34 -13.245 -3.019 -5.043 1.00 0.00 N ATOM 529 CA PHE A 34 -13.483 -3.780 -3.817 1.00 0.00 C ATOM 530 C PHE A 34 -12.947 -2.945 -2.683 1.00 0.00 C ATOM 531 O PHE A 34 -11.855 -2.420 -2.840 1.00 0.00 O ATOM 532 CB PHE A 34 -12.707 -5.120 -3.862 1.00 0.00 C ATOM 533 CG PHE A 34 -12.573 -5.812 -2.497 1.00 0.00 C ATOM 534 CD1 PHE A 34 -13.706 -6.090 -1.722 1.00 0.00 C ATOM 535 CD2 PHE A 34 -11.312 -6.191 -2.021 1.00 0.00 C ATOM 536 CE1 PHE A 34 -13.578 -6.713 -0.477 1.00 0.00 C ATOM 537 CE2 PHE A 34 -11.186 -6.843 -0.793 1.00 0.00 C ATOM 538 CZ PHE A 34 -12.316 -7.093 -0.012 1.00 0.00 C ATOM 0 H PHE A 34 -12.260 -2.886 -5.271 1.00 0.00 H new ATOM 0 HA PHE A 34 -14.544 -3.998 -3.698 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -13.211 -5.796 -4.553 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -11.711 -4.937 -4.264 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -14.686 -5.821 -2.089 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.431 -5.978 -2.608 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -14.454 -6.901 0.126 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -10.212 -7.155 -0.446 1.00 0.00 H new ATOM 0 HZ PHE A 34 -12.215 -7.578 0.948 1.00 0.00 H new ATOM 548 N LYS A 35 -13.667 -2.805 -1.545 1.00 0.00 N ATOM 549 CA LYS A 35 -13.090 -2.063 -0.432 1.00 0.00 C ATOM 550 C LYS A 35 -12.022 -2.941 0.175 1.00 0.00 C ATOM 551 O LYS A 35 -12.184 -4.151 0.163 1.00 0.00 O ATOM 552 CB LYS A 35 -14.108 -1.673 0.675 1.00 0.00 C ATOM 553 CG LYS A 35 -15.258 -0.748 0.182 1.00 0.00 C ATOM 554 CD LYS A 35 -14.759 0.620 -0.362 1.00 0.00 C ATOM 555 CE LYS A 35 -15.930 1.620 -0.567 1.00 0.00 C ATOM 556 NZ LYS A 35 -15.457 2.915 -1.111 1.00 0.00 N ATOM 0 H LYS A 35 -14.602 -3.181 -1.389 1.00 0.00 H new ATOM 0 HA LYS A 35 -12.705 -1.122 -0.825 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -14.541 -2.582 1.092 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.575 -1.173 1.484 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -15.816 -1.261 -0.602 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.951 -0.573 1.005 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.035 1.045 0.333 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.241 0.468 -1.309 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -16.664 1.186 -1.246 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.436 1.788 0.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.266 3.556 -1.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.775 3.341 -0.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -14.997 2.758 -2.030 1.00 0.00 H new ATOM 570 N ILE A 36 -10.932 -2.340 0.701 1.00 0.00 N ATOM 571 CA ILE A 36 -9.852 -3.106 1.320 1.00 0.00 C ATOM 572 C ILE A 36 -9.591 -2.383 2.618 1.00 0.00 C ATOM 573 O ILE A 36 -9.362 -1.185 2.553 1.00 0.00 O ATOM 574 CB ILE A 36 -8.601 -3.108 0.392 1.00 0.00 C ATOM 575 CG1 ILE A 36 -8.914 -3.889 -0.918 1.00 0.00 C ATOM 576 CG2 ILE A 36 -7.362 -3.695 1.129 1.00 0.00 C ATOM 577 CD1 ILE A 36 -7.805 -3.793 -1.999 1.00 0.00 C ATOM 0 H ILE A 36 -10.786 -1.330 0.705 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.100 -4.154 1.486 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.357 -2.080 0.125 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.075 -4.939 -0.672 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.847 -3.513 -1.337 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.502 -3.685 0.459 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.143 -3.092 2.010 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.572 -4.720 1.435 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.103 -4.365 -2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.658 -2.750 -2.278 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.874 -4.197 -1.602 1.00 0.00 H new ATOM 589 N VAL A 37 -9.629 -3.061 3.788 1.00 0.00 N ATOM 590 CA VAL A 37 -9.401 -2.357 5.043 1.00 0.00 C ATOM 591 C VAL A 37 -7.910 -2.337 5.209 1.00 0.00 C ATOM 592 O VAL A 37 -7.250 -3.241 4.724 1.00 0.00 O ATOM 593 CB VAL A 37 -10.161 -2.961 6.256 1.00 0.00 C ATOM 594 CG1 VAL A 37 -9.823 -2.291 7.619 1.00 0.00 C ATOM 595 CG2 VAL A 37 -11.679 -2.832 5.998 1.00 0.00 C ATOM 0 H VAL A 37 -9.810 -4.061 3.877 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.810 -1.347 5.008 1.00 0.00 H new ATOM 0 HB VAL A 37 -9.843 -4.000 6.339 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.396 -2.771 8.412 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.758 -2.399 7.823 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.079 -1.232 7.577 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.228 -3.252 6.841 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.940 -1.780 5.882 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.941 -3.373 5.089 1.00 0.00 H new ATOM 605 N THR A 38 -7.381 -1.294 5.875 1.00 0.00 N ATOM 606 CA THR A 38 -5.941 -1.154 6.020 1.00 0.00 C ATOM 607 C THR A 38 -5.688 -0.740 7.443 1.00 0.00 C ATOM 608 O THR A 38 -6.261 0.257 7.843 1.00 0.00 O ATOM 609 CB THR A 38 -5.368 -0.146 4.989 1.00 0.00 C ATOM 610 OG1 THR A 38 -5.320 -0.749 3.682 1.00 0.00 O ATOM 611 CG2 THR A 38 -3.932 0.288 5.380 1.00 0.00 C ATOM 0 H THR A 38 -7.929 -0.552 6.311 1.00 0.00 H new ATOM 0 HA THR A 38 -5.428 -2.093 5.813 1.00 0.00 H new ATOM 0 HB THR A 38 -6.021 0.726 4.979 1.00 0.00 H new ATOM 0 HG1 THR A 38 -4.959 -0.105 3.038 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.552 0.995 4.642 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.950 0.762 6.361 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.283 -0.587 5.412 1.00 0.00 H new ATOM 619 N GLU A 39 -4.856 -1.484 8.202 1.00 0.00 N ATOM 620 CA GLU A 39 -4.553 -1.121 9.580 1.00 0.00 C ATOM 621 C GLU A 39 -3.061 -0.955 9.670 1.00 0.00 C ATOM 622 O GLU A 39 -2.367 -1.630 8.924 1.00 0.00 O ATOM 623 CB GLU A 39 -5.011 -2.252 10.540 1.00 0.00 C ATOM 624 CG GLU A 39 -6.557 -2.312 10.633 1.00 0.00 C ATOM 625 CD GLU A 39 -7.041 -3.547 11.349 1.00 0.00 C ATOM 626 OE1 GLU A 39 -6.375 -3.973 12.331 1.00 0.00 O ATOM 627 OE2 GLU A 39 -8.094 -4.104 10.935 1.00 0.00 O ATOM 0 H GLU A 39 -4.391 -2.331 7.876 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.070 -0.204 9.863 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.627 -3.210 10.188 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.590 -2.085 11.531 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.922 -1.427 11.154 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.980 -2.288 9.629 1.00 0.00 H new ATOM 634 N VAL A 40 -2.562 -0.071 10.565 1.00 0.00 N ATOM 635 CA VAL A 40 -1.122 0.105 10.702 1.00 0.00 C ATOM 636 C VAL A 40 -0.800 0.240 12.171 1.00 0.00 C ATOM 637 O VAL A 40 -1.595 0.852 12.867 1.00 0.00 O ATOM 638 CB VAL A 40 -0.639 1.378 9.950 1.00 0.00 C ATOM 639 CG1 VAL A 40 0.909 1.458 9.940 1.00 0.00 C ATOM 640 CG2 VAL A 40 -1.151 1.397 8.487 1.00 0.00 C ATOM 0 H VAL A 40 -3.128 0.511 11.182 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.614 -0.757 10.269 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.047 2.238 10.482 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.223 2.356 9.409 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.278 1.495 10.965 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.316 0.579 9.439 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.796 2.299 7.989 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.777 0.520 7.959 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.241 1.385 8.483 1.00 0.00 H new ATOM 650 N GLN A 41 0.346 -0.300 12.648 1.00 0.00 N ATOM 651 CA GLN A 41 0.787 -0.031 14.014 1.00 0.00 C ATOM 652 C GLN A 41 2.286 0.173 13.946 1.00 0.00 C ATOM 653 O GLN A 41 3.032 -0.780 14.105 1.00 0.00 O ATOM 654 CB GLN A 41 0.309 -1.088 15.050 1.00 0.00 C ATOM 655 CG GLN A 41 -1.237 -1.122 15.178 1.00 0.00 C ATOM 656 CD GLN A 41 -1.658 -2.112 16.240 1.00 0.00 C ATOM 657 OE1 GLN A 41 -2.152 -3.176 15.899 1.00 0.00 O ATOM 658 NE2 GLN A 41 -1.469 -1.791 17.539 1.00 0.00 N ATOM 0 H GLN A 41 0.962 -0.910 12.111 1.00 0.00 H new ATOM 0 HA GLN A 41 0.316 0.872 14.403 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.670 -2.073 14.755 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.748 -0.866 16.023 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.609 -0.129 15.430 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.681 -1.395 14.221 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.053 -0.893 17.787 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.742 -2.447 18.271 1.00 0.00 H new ATOM 667 N GLN A 42 2.737 1.423 13.678 1.00 0.00 N ATOM 668 CA GLN A 42 4.166 1.692 13.546 1.00 0.00 C ATOM 669 C GLN A 42 4.848 1.371 14.855 1.00 0.00 C ATOM 670 O GLN A 42 4.198 1.455 15.885 1.00 0.00 O ATOM 671 CB GLN A 42 4.410 3.147 13.054 1.00 0.00 C ATOM 672 CG GLN A 42 5.890 3.562 12.846 1.00 0.00 C ATOM 673 CD GLN A 42 6.611 4.018 14.090 1.00 0.00 C ATOM 674 OE1 GLN A 42 6.094 3.879 15.188 1.00 0.00 O ATOM 675 NE2 GLN A 42 7.827 4.588 13.934 1.00 0.00 N ATOM 0 H GLN A 42 2.136 2.237 13.553 1.00 0.00 H new ATOM 0 HA GLN A 42 4.607 1.050 12.783 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.881 3.283 12.111 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.960 3.832 13.773 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.431 2.717 12.421 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.925 4.365 12.110 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.228 4.688 13.001 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.344 4.918 14.749 1.00 0.00 H new ATOM 684 N ASP A 43 6.143 0.979 14.827 1.00 0.00 N ATOM 685 CA ASP A 43 6.813 0.491 16.028 1.00 0.00 C ATOM 686 C ASP A 43 8.266 0.893 15.948 1.00 0.00 C ATOM 687 O ASP A 43 9.125 0.041 15.783 1.00 0.00 O ATOM 688 CB ASP A 43 6.617 -1.047 16.032 1.00 0.00 C ATOM 689 CG ASP A 43 7.243 -1.668 17.254 1.00 0.00 C ATOM 690 OD1 ASP A 43 6.707 -1.445 18.373 1.00 0.00 O ATOM 691 OD2 ASP A 43 8.273 -2.381 17.108 1.00 0.00 O ATOM 0 H ASP A 43 6.728 0.995 13.992 1.00 0.00 H new ATOM 0 HA ASP A 43 6.414 0.906 16.954 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.553 -1.282 16.005 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.061 -1.476 15.134 1.00 0.00 H new ATOM 696 N GLY A 44 8.555 2.210 16.042 1.00 0.00 N ATOM 697 CA GLY A 44 9.929 2.655 15.847 1.00 0.00 C ATOM 698 C GLY A 44 10.336 2.432 14.410 1.00 0.00 C ATOM 699 O GLY A 44 9.481 2.364 13.541 1.00 0.00 O ATOM 0 H GLY A 44 7.879 2.947 16.243 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.019 3.711 16.101 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.597 2.109 16.513 1.00 0.00 H new ATOM 703 N GLN A 45 11.660 2.319 14.169 1.00 0.00 N ATOM 704 CA GLN A 45 12.171 1.977 12.837 1.00 0.00 C ATOM 705 C GLN A 45 11.379 0.824 12.255 1.00 0.00 C ATOM 706 O GLN A 45 11.117 0.845 11.063 1.00 0.00 O ATOM 707 CB GLN A 45 13.675 1.583 12.961 1.00 0.00 C ATOM 708 CG GLN A 45 14.434 1.588 11.609 1.00 0.00 C ATOM 709 CD GLN A 45 15.806 0.957 11.707 1.00 0.00 C ATOM 710 OE1 GLN A 45 16.188 0.496 12.772 1.00 0.00 O ATOM 711 NE2 GLN A 45 16.581 0.919 10.601 1.00 0.00 N ATOM 0 H GLN A 45 12.382 2.459 14.875 1.00 0.00 H new ATOM 0 HA GLN A 45 12.068 2.836 12.173 1.00 0.00 H new ATOM 0 HB2 GLN A 45 14.167 2.273 13.646 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.746 0.589 13.404 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.845 1.053 10.864 1.00 0.00 H new ATOM 0 HG3 GLN A 45 14.535 2.615 11.258 1.00 0.00 H new ATOM 0 HE21 GLN A 45 16.238 1.311 9.724 1.00 0.00 H new ATOM 0 HE22 GLN A 45 17.509 0.498 10.643 1.00 0.00 H new ATOM 720 N ASP A 46 10.976 -0.185 13.065 1.00 0.00 N ATOM 721 CA ASP A 46 10.140 -1.261 12.531 1.00 0.00 C ATOM 722 C ASP A 46 8.708 -0.798 12.376 1.00 0.00 C ATOM 723 O ASP A 46 8.274 0.018 13.172 1.00 0.00 O ATOM 724 CB ASP A 46 10.178 -2.545 13.394 1.00 0.00 C ATOM 725 CG ASP A 46 9.236 -3.589 12.846 1.00 0.00 C ATOM 726 OD1 ASP A 46 9.506 -4.109 11.729 1.00 0.00 O ATOM 727 OD2 ASP A 46 8.216 -3.891 13.521 1.00 0.00 O ATOM 0 H ASP A 46 11.211 -0.267 14.054 1.00 0.00 H new ATOM 0 HA ASP A 46 10.557 -1.513 11.556 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.193 -2.942 13.418 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.904 -2.306 14.422 1.00 0.00 H new ATOM 732 N PHE A 47 7.965 -1.314 11.366 1.00 0.00 N ATOM 733 CA PHE A 47 6.537 -1.018 11.221 1.00 0.00 C ATOM 734 C PHE A 47 5.806 -2.337 11.205 1.00 0.00 C ATOM 735 O PHE A 47 6.462 -3.347 11.011 1.00 0.00 O ATOM 736 CB PHE A 47 6.186 -0.293 9.895 1.00 0.00 C ATOM 737 CG PHE A 47 6.507 1.214 9.881 1.00 0.00 C ATOM 738 CD1 PHE A 47 7.784 1.683 10.205 1.00 0.00 C ATOM 739 CD2 PHE A 47 5.524 2.147 9.521 1.00 0.00 C ATOM 740 CE1 PHE A 47 8.063 3.054 10.204 1.00 0.00 C ATOM 741 CE2 PHE A 47 5.844 3.499 9.369 1.00 0.00 C ATOM 742 CZ PHE A 47 7.110 3.961 9.737 1.00 0.00 C ATOM 0 H PHE A 47 8.339 -1.934 10.647 1.00 0.00 H new ATOM 0 HA PHE A 47 6.254 -0.363 12.045 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.727 -0.773 9.080 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.123 -0.426 9.694 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.563 0.979 10.459 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.508 1.817 9.359 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.016 3.411 10.565 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.113 4.186 8.968 1.00 0.00 H new ATOM 0 HZ PHE A 47 7.350 5.011 9.661 1.00 0.00 H new ATOM 752 N THR A 48 4.464 -2.338 11.396 1.00 0.00 N ATOM 753 CA THR A 48 3.704 -3.587 11.367 1.00 0.00 C ATOM 754 C THR A 48 2.456 -3.295 10.556 1.00 0.00 C ATOM 755 O THR A 48 1.372 -3.156 11.100 1.00 0.00 O ATOM 756 CB THR A 48 3.435 -4.025 12.839 1.00 0.00 C ATOM 757 OG1 THR A 48 2.277 -3.380 13.374 1.00 0.00 O ATOM 758 CG2 THR A 48 4.620 -3.699 13.790 1.00 0.00 C ATOM 0 H THR A 48 3.906 -1.501 11.567 1.00 0.00 H new ATOM 0 HA THR A 48 4.223 -4.423 10.898 1.00 0.00 H new ATOM 0 HB THR A 48 3.292 -5.104 12.791 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.540 -3.444 12.731 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.376 -4.026 14.801 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.515 -4.218 13.447 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.801 -2.624 13.790 1.00 0.00 H new ATOM 766 N TRP A 49 2.598 -3.160 9.218 1.00 0.00 N ATOM 767 CA TRP A 49 1.469 -2.695 8.412 1.00 0.00 C ATOM 768 C TRP A 49 0.505 -3.831 8.192 1.00 0.00 C ATOM 769 O TRP A 49 0.914 -4.966 8.370 1.00 0.00 O ATOM 770 CB TRP A 49 1.975 -2.248 7.020 1.00 0.00 C ATOM 771 CG TRP A 49 1.186 -1.192 6.303 1.00 0.00 C ATOM 772 CD1 TRP A 49 0.106 -1.322 5.515 1.00 0.00 C ATOM 773 CD2 TRP A 49 1.545 0.268 6.326 1.00 0.00 C ATOM 774 NE1 TRP A 49 -0.199 -0.155 5.007 1.00 0.00 N ATOM 775 CE2 TRP A 49 0.654 0.805 5.419 1.00 0.00 C ATOM 776 CE3 TRP A 49 2.487 1.035 7.008 1.00 0.00 C ATOM 777 CZ2 TRP A 49 0.732 2.145 5.045 1.00 0.00 C ATOM 778 CZ3 TRP A 49 2.500 2.404 6.720 1.00 0.00 C ATOM 779 CH2 TRP A 49 1.676 2.933 5.716 1.00 0.00 C ATOM 0 H TRP A 49 3.452 -3.360 8.698 1.00 0.00 H new ATOM 0 HA TRP A 49 0.985 -1.869 8.934 1.00 0.00 H new ATOM 0 HB2 TRP A 49 2.997 -1.886 7.134 1.00 0.00 H new ATOM 0 HB3 TRP A 49 2.019 -3.129 6.379 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -0.426 -2.243 5.330 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.985 0.008 4.377 1.00 0.00 H new ATOM 0 HE3 TRP A 49 3.170 0.597 7.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 0.096 2.556 4.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.152 3.061 7.277 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.772 3.976 5.453 1.00 0.00 H new ATOM 790 N SER A 50 -0.746 -3.560 7.758 1.00 0.00 N ATOM 791 CA SER A 50 -1.594 -4.649 7.283 1.00 0.00 C ATOM 792 C SER A 50 -2.596 -4.171 6.261 1.00 0.00 C ATOM 793 O SER A 50 -2.930 -2.998 6.291 1.00 0.00 O ATOM 794 CB SER A 50 -2.335 -5.399 8.409 1.00 0.00 C ATOM 795 OG SER A 50 -1.407 -5.814 9.424 1.00 0.00 O ATOM 0 H SER A 50 -1.168 -2.632 7.730 1.00 0.00 H new ATOM 0 HA SER A 50 -0.904 -5.355 6.820 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.097 -4.753 8.845 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.850 -6.268 7.999 1.00 0.00 H new ATOM 0 HG SER A 50 -0.918 -6.605 9.116 1.00 0.00 H new ATOM 801 N GLN A 51 -3.071 -5.071 5.365 1.00 0.00 N ATOM 802 CA GLN A 51 -4.020 -4.684 4.324 1.00 0.00 C ATOM 803 C GLN A 51 -5.083 -5.758 4.309 1.00 0.00 C ATOM 804 O GLN A 51 -4.922 -6.740 3.601 1.00 0.00 O ATOM 805 CB GLN A 51 -3.273 -4.551 2.972 1.00 0.00 C ATOM 806 CG GLN A 51 -2.045 -3.609 3.107 1.00 0.00 C ATOM 807 CD GLN A 51 -1.437 -3.215 1.780 1.00 0.00 C ATOM 808 OE1 GLN A 51 -1.979 -3.546 0.738 1.00 0.00 O ATOM 809 NE2 GLN A 51 -0.298 -2.487 1.794 1.00 0.00 N ATOM 0 H GLN A 51 -2.808 -6.056 5.352 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.486 -3.716 4.508 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.946 -5.535 2.634 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.952 -4.163 2.213 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.346 -2.708 3.642 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.285 -4.101 3.714 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.130 -2.227 2.683 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.133 -2.198 0.916 1.00 0.00 H new ATOM 818 N HIS A 52 -6.160 -5.606 5.116 1.00 0.00 N ATOM 819 CA HIS A 52 -7.112 -6.700 5.270 1.00 0.00 C ATOM 820 C HIS A 52 -8.051 -6.722 4.095 1.00 0.00 C ATOM 821 O HIS A 52 -8.449 -5.650 3.667 1.00 0.00 O ATOM 822 CB HIS A 52 -7.943 -6.694 6.577 1.00 0.00 C ATOM 823 CG HIS A 52 -7.077 -6.330 7.751 1.00 0.00 C ATOM 824 ND1 HIS A 52 -6.469 -7.211 8.510 1.00 0.00 N ATOM 825 CD2 HIS A 52 -6.805 -5.080 8.174 1.00 0.00 C ATOM 826 CE1 HIS A 52 -5.778 -6.596 9.416 1.00 0.00 C ATOM 827 NE2 HIS A 52 -5.929 -5.357 9.281 1.00 0.00 N ATOM 0 H HIS A 52 -6.376 -4.763 5.648 1.00 0.00 H new ATOM 0 HA HIS A 52 -6.495 -7.597 5.322 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -8.764 -5.983 6.489 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -8.388 -7.676 6.737 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -6.531 -8.223 8.403 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.150 -4.132 7.788 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.168 -7.073 10.169 1.00 0.00 H new ATOM 835 N TYR A 53 -8.419 -7.915 3.572 1.00 0.00 N ATOM 836 CA TYR A 53 -9.376 -7.972 2.470 1.00 0.00 C ATOM 837 C TYR A 53 -10.717 -8.151 3.145 1.00 0.00 C ATOM 838 O TYR A 53 -11.269 -9.238 3.087 1.00 0.00 O ATOM 839 CB TYR A 53 -9.049 -9.135 1.494 1.00 0.00 C ATOM 840 CG TYR A 53 -7.732 -8.995 0.702 1.00 0.00 C ATOM 841 CD1 TYR A 53 -6.700 -8.119 1.064 1.00 0.00 C ATOM 842 CD2 TYR A 53 -7.549 -9.790 -0.436 1.00 0.00 C ATOM 843 CE1 TYR A 53 -5.457 -8.177 0.428 1.00 0.00 C ATOM 844 CE2 TYR A 53 -6.316 -9.836 -1.092 1.00 0.00 C ATOM 845 CZ TYR A 53 -5.241 -9.074 -0.620 1.00 0.00 C ATOM 846 OH TYR A 53 -3.963 -9.183 -1.179 1.00 0.00 O ATOM 0 H TYR A 53 -8.073 -8.820 3.892 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.353 -7.076 1.850 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -9.012 -10.063 2.064 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -9.870 -9.230 0.784 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.867 -7.391 1.844 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.374 -10.377 -0.813 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.659 -7.524 0.749 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.192 -10.460 -1.964 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.610 -10.083 -1.016 1.00 0.00 H new ATOM 856 N SER A 54 -11.228 -7.085 3.805 1.00 0.00 N ATOM 857 CA SER A 54 -12.466 -7.176 4.580 1.00 0.00 C ATOM 858 C SER A 54 -12.252 -8.069 5.786 1.00 0.00 C ATOM 859 O SER A 54 -12.223 -7.552 6.892 1.00 0.00 O ATOM 860 CB SER A 54 -13.712 -7.554 3.736 1.00 0.00 C ATOM 861 OG SER A 54 -14.872 -7.515 4.586 1.00 0.00 O ATOM 0 H SER A 54 -10.797 -6.161 3.810 1.00 0.00 H new ATOM 0 HA SER A 54 -12.705 -6.176 4.941 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.830 -6.860 2.904 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.591 -8.549 3.307 1.00 0.00 H new ATOM 0 HG SER A 54 -15.668 -7.750 4.065 1.00 0.00 H new ATOM 867 N GLY A 55 -12.089 -9.404 5.623 1.00 0.00 N ATOM 868 CA GLY A 55 -11.863 -10.251 6.790 1.00 0.00 C ATOM 869 C GLY A 55 -11.563 -11.679 6.393 1.00 0.00 C ATOM 870 O GLY A 55 -12.382 -12.550 6.641 1.00 0.00 O ATOM 0 H GLY A 55 -12.110 -9.891 4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.033 -9.853 7.374 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.743 -10.229 7.432 1.00 0.00 H new ATOM 874 N GLY A 56 -10.389 -11.936 5.770 1.00 0.00 N ATOM 875 CA GLY A 56 -10.053 -13.308 5.392 1.00 0.00 C ATOM 876 C GLY A 56 -8.659 -13.370 4.811 1.00 0.00 C ATOM 877 O GLY A 56 -7.747 -13.797 5.502 1.00 0.00 O ATOM 0 H GLY A 56 -9.689 -11.234 5.530 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.119 -13.958 6.264 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.774 -13.678 4.663 1.00 0.00 H new ATOM 881 N HIS A 57 -8.478 -12.919 3.547 1.00 0.00 N ATOM 882 CA HIS A 57 -7.133 -12.809 2.982 1.00 0.00 C ATOM 883 C HIS A 57 -6.531 -11.587 3.626 1.00 0.00 C ATOM 884 O HIS A 57 -6.503 -10.538 3.001 1.00 0.00 O ATOM 885 CB HIS A 57 -7.191 -12.754 1.429 1.00 0.00 C ATOM 886 CG HIS A 57 -5.893 -12.540 0.681 1.00 0.00 C ATOM 887 ND1 HIS A 57 -5.782 -12.865 -0.589 1.00 0.00 N ATOM 888 CD2 HIS A 57 -4.724 -12.022 1.116 1.00 0.00 C ATOM 889 CE1 HIS A 57 -4.590 -12.591 -1.014 1.00 0.00 C ATOM 890 NE2 HIS A 57 -3.922 -12.097 -0.075 1.00 0.00 N ATOM 0 H HIS A 57 -9.232 -12.635 2.921 1.00 0.00 H new ATOM 0 HA HIS A 57 -6.506 -13.676 3.190 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -7.630 -13.687 1.077 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.875 -11.954 1.148 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -4.462 -11.651 2.096 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.229 -12.761 -2.017 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -2.951 -11.793 -0.146 1.00 0.00 H new ATOM 898 N THR A 58 -6.040 -11.714 4.885 1.00 0.00 N ATOM 899 CA THR A 58 -5.322 -10.602 5.488 1.00 0.00 C ATOM 900 C THR A 58 -3.941 -10.631 4.888 1.00 0.00 C ATOM 901 O THR A 58 -3.134 -11.436 5.326 1.00 0.00 O ATOM 902 CB THR A 58 -5.267 -10.580 7.043 1.00 0.00 C ATOM 903 OG1 THR A 58 -6.565 -10.256 7.574 1.00 0.00 O ATOM 904 CG2 THR A 58 -4.253 -9.511 7.536 1.00 0.00 C ATOM 0 H THR A 58 -6.131 -12.546 5.469 1.00 0.00 H new ATOM 0 HA THR A 58 -5.868 -9.685 5.266 1.00 0.00 H new ATOM 0 HB THR A 58 -4.955 -11.566 7.386 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.525 -10.245 8.553 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.227 -9.509 8.626 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.261 -9.745 7.150 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.559 -8.528 7.179 1.00 0.00 H new ATOM 912 N MET A 59 -3.649 -9.760 3.896 1.00 0.00 N ATOM 913 CA MET A 59 -2.273 -9.636 3.426 1.00 0.00 C ATOM 914 C MET A 59 -1.602 -8.711 4.410 1.00 0.00 C ATOM 915 O MET A 59 -2.316 -7.916 5.002 1.00 0.00 O ATOM 916 CB MET A 59 -2.221 -8.986 2.019 1.00 0.00 C ATOM 917 CG MET A 59 -0.818 -9.097 1.367 1.00 0.00 C ATOM 918 SD MET A 59 -0.697 -8.104 -0.151 1.00 0.00 S ATOM 919 CE MET A 59 -0.879 -6.427 0.537 1.00 0.00 C ATOM 0 H MET A 59 -4.327 -9.159 3.428 1.00 0.00 H new ATOM 0 HA MET A 59 -1.794 -10.613 3.357 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.957 -9.465 1.373 1.00 0.00 H new ATOM 0 HB3 MET A 59 -2.500 -7.935 2.097 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.060 -8.768 2.078 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.606 -10.141 1.136 1.00 0.00 H new ATOM 0 HE1 MET A 59 -0.286 -5.726 -0.051 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.928 -6.132 0.504 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.532 -6.418 1.570 1.00 0.00 H new ATOM 929 N THR A 60 -0.264 -8.772 4.598 1.00 0.00 N ATOM 930 CA THR A 60 0.392 -7.805 5.472 1.00 0.00 C ATOM 931 C THR A 60 1.712 -7.356 4.896 1.00 0.00 C ATOM 932 O THR A 60 2.294 -8.105 4.129 1.00 0.00 O ATOM 933 CB THR A 60 0.499 -8.409 6.904 1.00 0.00 C ATOM 934 OG1 THR A 60 -0.572 -7.944 7.740 1.00 0.00 O ATOM 935 CG2 THR A 60 1.842 -8.129 7.626 1.00 0.00 C ATOM 0 H THR A 60 0.355 -9.460 4.168 1.00 0.00 H new ATOM 0 HA THR A 60 -0.205 -6.896 5.546 1.00 0.00 H new ATOM 0 HB THR A 60 0.436 -9.486 6.749 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.374 -7.802 7.195 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.826 -8.587 8.615 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.662 -8.550 7.045 1.00 0.00 H new ATOM 0 HG23 THR A 60 1.983 -7.053 7.727 1.00 0.00 H new ATOM 943 N ASN A 61 2.176 -6.136 5.262 1.00 0.00 N ATOM 944 CA ASN A 61 3.432 -5.610 4.737 1.00 0.00 C ATOM 945 C ASN A 61 4.258 -5.166 5.923 1.00 0.00 C ATOM 946 O ASN A 61 4.376 -3.978 6.182 1.00 0.00 O ATOM 947 CB ASN A 61 3.105 -4.467 3.742 1.00 0.00 C ATOM 948 CG ASN A 61 2.214 -4.979 2.635 1.00 0.00 C ATOM 949 OD1 ASN A 61 1.028 -4.691 2.661 1.00 0.00 O ATOM 950 ND2 ASN A 61 2.738 -5.745 1.655 1.00 0.00 N ATOM 0 H ASN A 61 1.696 -5.514 5.912 1.00 0.00 H new ATOM 0 HA ASN A 61 4.011 -6.349 4.183 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.612 -3.648 4.266 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.027 -4.067 3.321 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.139 -6.100 0.910 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.733 -5.969 1.660 1.00 0.00 H new ATOM 957 N LYS A 62 4.845 -6.126 6.673 1.00 0.00 N ATOM 958 CA LYS A 62 5.734 -5.741 7.765 1.00 0.00 C ATOM 959 C LYS A 62 7.016 -5.250 7.139 1.00 0.00 C ATOM 960 O LYS A 62 7.403 -5.799 6.120 1.00 0.00 O ATOM 961 CB LYS A 62 6.043 -6.930 8.716 1.00 0.00 C ATOM 962 CG LYS A 62 6.966 -6.532 9.899 1.00 0.00 C ATOM 963 CD LYS A 62 7.231 -7.723 10.859 1.00 0.00 C ATOM 964 CE LYS A 62 8.125 -7.290 12.054 1.00 0.00 C ATOM 965 NZ LYS A 62 8.382 -8.418 12.978 1.00 0.00 N ATOM 0 H LYS A 62 4.720 -7.130 6.542 1.00 0.00 H new ATOM 0 HA LYS A 62 5.253 -4.971 8.368 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.107 -7.327 9.109 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.515 -7.731 8.147 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.915 -6.163 9.510 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.509 -5.713 10.455 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.283 -8.111 11.232 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.715 -8.533 10.314 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.072 -6.903 11.679 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.641 -6.478 12.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.981 -8.094 13.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.479 -8.771 13.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.866 -9.183 12.466 1.00 0.00 H new ATOM 979 N PHE A 63 7.691 -4.239 7.731 1.00 0.00 N ATOM 980 CA PHE A 63 8.976 -3.805 7.186 1.00 0.00 C ATOM 981 C PHE A 63 9.752 -2.989 8.189 1.00 0.00 C ATOM 982 O PHE A 63 9.161 -2.564 9.168 1.00 0.00 O ATOM 983 CB PHE A 63 8.807 -2.985 5.881 1.00 0.00 C ATOM 984 CG PHE A 63 7.871 -1.786 6.089 1.00 0.00 C ATOM 985 CD1 PHE A 63 8.317 -0.634 6.744 1.00 0.00 C ATOM 986 CD2 PHE A 63 6.555 -1.837 5.612 1.00 0.00 C ATOM 987 CE1 PHE A 63 7.433 0.424 6.979 1.00 0.00 C ATOM 988 CE2 PHE A 63 5.665 -0.790 5.866 1.00 0.00 C ATOM 989 CZ PHE A 63 6.097 0.326 6.585 1.00 0.00 C ATOM 0 H PHE A 63 7.374 -3.730 8.556 1.00 0.00 H new ATOM 0 HA PHE A 63 9.532 -4.713 6.955 1.00 0.00 H new ATOM 0 HB2 PHE A 63 9.781 -2.633 5.542 1.00 0.00 H new ATOM 0 HB3 PHE A 63 8.409 -3.627 5.095 1.00 0.00 H new ATOM 0 HD1 PHE A 63 9.344 -0.561 7.069 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.225 -2.693 5.043 1.00 0.00 H new ATOM 0 HE1 PHE A 63 7.785 1.321 7.467 1.00 0.00 H new ATOM 0 HE2 PHE A 63 4.648 -0.844 5.508 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.400 1.112 6.836 1.00 0.00 H new ATOM 999 N THR A 64 11.064 -2.759 7.938 1.00 0.00 N ATOM 1000 CA THR A 64 11.859 -1.884 8.793 1.00 0.00 C ATOM 1001 C THR A 64 12.480 -0.835 7.903 1.00 0.00 C ATOM 1002 O THR A 64 12.963 -1.197 6.841 1.00 0.00 O ATOM 1003 CB THR A 64 12.842 -2.729 9.636 1.00 0.00 C ATOM 1004 OG1 THR A 64 12.062 -3.609 10.466 1.00 0.00 O ATOM 1005 CG2 THR A 64 13.760 -1.834 10.507 1.00 0.00 C ATOM 0 H THR A 64 11.577 -3.168 7.157 1.00 0.00 H new ATOM 0 HA THR A 64 11.266 -1.352 9.537 1.00 0.00 H new ATOM 0 HB THR A 64 13.494 -3.300 8.975 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.132 -3.299 10.488 1.00 0.00 H new ATOM 0 HG21 THR A 64 14.437 -2.462 11.086 1.00 0.00 H new ATOM 0 HG22 THR A 64 14.339 -1.172 9.864 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.150 -1.238 11.185 1.00 0.00 H new ATOM 1013 N VAL A 65 12.437 0.462 8.297 1.00 0.00 N ATOM 1014 CA VAL A 65 12.805 1.532 7.383 1.00 0.00 C ATOM 1015 C VAL A 65 14.288 1.752 7.505 1.00 0.00 C ATOM 1016 O VAL A 65 14.836 1.444 8.550 1.00 0.00 O ATOM 1017 CB VAL A 65 11.964 2.825 7.616 1.00 0.00 C ATOM 1018 CG1 VAL A 65 10.498 2.518 8.007 1.00 0.00 C ATOM 1019 CG2 VAL A 65 12.592 3.802 8.637 1.00 0.00 C ATOM 0 H VAL A 65 12.155 0.772 9.227 1.00 0.00 H new ATOM 0 HA VAL A 65 12.573 1.246 6.357 1.00 0.00 H new ATOM 0 HB VAL A 65 11.966 3.326 6.648 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.958 3.453 8.157 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.021 1.947 7.210 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.481 1.937 8.929 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.950 4.676 8.746 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.694 3.304 9.601 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.575 4.115 8.284 1.00 0.00 H new ATOM 1029 N GLY A 66 14.972 2.253 6.454 1.00 0.00 N ATOM 1030 CA GLY A 66 16.424 2.336 6.517 1.00 0.00 C ATOM 1031 C GLY A 66 17.030 0.964 6.702 1.00 0.00 C ATOM 1032 O GLY A 66 18.158 0.908 7.167 1.00 0.00 O ATOM 0 H GLY A 66 14.551 2.591 5.589 1.00 0.00 H new ATOM 0 HA2 GLY A 66 16.807 2.788 5.602 1.00 0.00 H new ATOM 0 HA3 GLY A 66 16.721 2.984 7.341 1.00 0.00 H new ATOM 1036 N LYS A 67 16.322 -0.140 6.345 1.00 0.00 N ATOM 1037 CA LYS A 67 16.891 -1.479 6.496 1.00 0.00 C ATOM 1038 C LYS A 67 16.518 -2.336 5.299 1.00 0.00 C ATOM 1039 O LYS A 67 17.424 -2.721 4.577 1.00 0.00 O ATOM 1040 CB LYS A 67 16.432 -2.076 7.856 1.00 0.00 C ATOM 1041 CG LYS A 67 17.269 -3.327 8.241 1.00 0.00 C ATOM 1042 CD LYS A 67 16.819 -3.918 9.604 1.00 0.00 C ATOM 1043 CE LYS A 67 17.593 -5.208 9.997 1.00 0.00 C ATOM 1044 NZ LYS A 67 19.045 -4.992 10.202 1.00 0.00 N ATOM 0 H LYS A 67 15.378 -0.118 5.960 1.00 0.00 H new ATOM 0 HA LYS A 67 17.980 -1.440 6.515 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.525 -1.320 8.636 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.378 -2.346 7.798 1.00 0.00 H new ATOM 0 HG2 LYS A 67 17.169 -4.085 7.464 1.00 0.00 H new ATOM 0 HG3 LYS A 67 18.324 -3.058 8.291 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.958 -3.167 10.382 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.753 -4.140 9.562 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.162 -5.615 10.912 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.452 -5.957 9.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.497 -5.892 10.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 19.470 -4.632 9.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 19.189 -4.300 10.965 1.00 0.00 H new ATOM 1058 N GLU A 68 15.207 -2.613 5.089 1.00 0.00 N ATOM 1059 CA GLU A 68 14.683 -3.376 3.955 1.00 0.00 C ATOM 1060 C GLU A 68 14.117 -4.667 4.483 1.00 0.00 C ATOM 1061 O GLU A 68 14.571 -5.131 5.517 1.00 0.00 O ATOM 1062 CB GLU A 68 15.575 -3.679 2.712 1.00 0.00 C ATOM 1063 CG GLU A 68 16.409 -4.981 2.862 1.00 0.00 C ATOM 1064 CD GLU A 68 17.390 -5.165 1.731 1.00 0.00 C ATOM 1065 OE1 GLU A 68 17.220 -4.518 0.662 1.00 0.00 O ATOM 1066 OE2 GLU A 68 18.346 -5.970 1.902 1.00 0.00 O ATOM 0 H GLU A 68 14.475 -2.299 5.727 1.00 0.00 H new ATOM 0 HA GLU A 68 13.959 -2.683 3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.941 -3.761 1.829 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.250 -2.840 2.544 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.949 -4.957 3.808 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.737 -5.838 2.900 1.00 0.00 H new ATOM 1073 N SER A 69 13.141 -5.258 3.758 1.00 0.00 N ATOM 1074 CA SER A 69 12.603 -6.555 4.158 1.00 0.00 C ATOM 1075 C SER A 69 11.999 -7.214 2.943 1.00 0.00 C ATOM 1076 O SER A 69 11.859 -6.528 1.943 1.00 0.00 O ATOM 1077 CB SER A 69 11.561 -6.360 5.286 1.00 0.00 C ATOM 1078 OG SER A 69 12.249 -5.929 6.473 1.00 0.00 O ATOM 0 H SER A 69 12.725 -4.861 2.915 1.00 0.00 H new ATOM 0 HA SER A 69 13.390 -7.200 4.550 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.816 -5.621 4.990 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.028 -7.292 5.474 1.00 0.00 H new ATOM 0 HG SER A 69 13.216 -5.942 6.314 1.00 0.00 H new ATOM 1084 N ASN A 70 11.649 -8.519 2.987 1.00 0.00 N ATOM 1085 CA ASN A 70 11.060 -9.139 1.805 1.00 0.00 C ATOM 1086 C ASN A 70 9.600 -8.729 1.788 1.00 0.00 C ATOM 1087 O ASN A 70 8.784 -9.448 2.343 1.00 0.00 O ATOM 1088 CB ASN A 70 11.252 -10.674 1.748 1.00 0.00 C ATOM 1089 CG ASN A 70 12.725 -11.017 1.725 1.00 0.00 C ATOM 1090 OD1 ASN A 70 13.296 -11.053 0.646 1.00 0.00 O ATOM 1091 ND2 ASN A 70 13.374 -11.264 2.884 1.00 0.00 N ATOM 0 H ASN A 70 11.762 -9.131 3.795 1.00 0.00 H new ATOM 0 HA ASN A 70 11.572 -8.790 0.908 1.00 0.00 H new ATOM 0 HB2 ASN A 70 10.776 -11.139 2.611 1.00 0.00 H new ATOM 0 HB3 ASN A 70 10.764 -11.076 0.860 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.369 -11.488 2.874 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.869 -11.226 3.769 1.00 0.00 H new ATOM 1098 N ILE A 71 9.250 -7.568 1.181 1.00 0.00 N ATOM 1099 CA ILE A 71 7.886 -7.043 1.279 1.00 0.00 C ATOM 1100 C ILE A 71 7.016 -7.706 0.234 1.00 0.00 C ATOM 1101 O ILE A 71 7.514 -7.948 -0.854 1.00 0.00 O ATOM 1102 CB ILE A 71 7.873 -5.486 1.150 1.00 0.00 C ATOM 1103 CG1 ILE A 71 8.759 -4.882 2.281 1.00 0.00 C ATOM 1104 CG2 ILE A 71 6.432 -4.911 1.219 1.00 0.00 C ATOM 1105 CD1 ILE A 71 8.835 -3.336 2.278 1.00 0.00 C ATOM 0 H ILE A 71 9.888 -6.994 0.630 1.00 0.00 H new ATOM 0 HA ILE A 71 7.479 -7.277 2.263 1.00 0.00 H new ATOM 0 HB ILE A 71 8.275 -5.213 0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.372 -5.213 3.245 1.00 0.00 H new ATOM 0 HG13 ILE A 71 9.768 -5.283 2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.468 -3.826 1.125 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.836 -5.325 0.406 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.979 -5.178 2.174 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.471 -3.001 3.097 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.253 -2.994 1.331 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.834 -2.922 2.404 1.00 0.00 H new ATOM 1117 N GLN A 72 5.729 -8.001 0.551 1.00 0.00 N ATOM 1118 CA GLN A 72 4.827 -8.665 -0.397 1.00 0.00 C ATOM 1119 C GLN A 72 3.912 -7.659 -1.065 1.00 0.00 C ATOM 1120 O GLN A 72 2.700 -7.790 -1.024 1.00 0.00 O ATOM 1121 CB GLN A 72 4.109 -9.860 0.301 1.00 0.00 C ATOM 1122 CG GLN A 72 2.970 -9.445 1.274 1.00 0.00 C ATOM 1123 CD GLN A 72 2.706 -10.511 2.311 1.00 0.00 C ATOM 1124 OE1 GLN A 72 1.712 -11.213 2.209 1.00 0.00 O ATOM 1125 NE2 GLN A 72 3.586 -10.653 3.327 1.00 0.00 N ATOM 0 H GLN A 72 5.304 -7.787 1.453 1.00 0.00 H new ATOM 0 HA GLN A 72 5.393 -9.105 -1.218 1.00 0.00 H new ATOM 0 HB2 GLN A 72 3.695 -10.517 -0.464 1.00 0.00 H new ATOM 0 HB3 GLN A 72 4.848 -10.440 0.853 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.237 -8.512 1.771 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.059 -9.255 0.707 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.406 -10.048 3.380 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.430 -11.365 4.041 1.00 0.00 H new ATOM 1134 N THR A 73 4.498 -6.632 -1.720 1.00 0.00 N ATOM 1135 CA THR A 73 3.702 -5.661 -2.478 1.00 0.00 C ATOM 1136 C THR A 73 2.720 -6.352 -3.400 1.00 0.00 C ATOM 1137 O THR A 73 2.888 -7.530 -3.674 1.00 0.00 O ATOM 1138 CB THR A 73 4.586 -4.695 -3.325 1.00 0.00 C ATOM 1139 OG1 THR A 73 3.810 -3.757 -4.093 1.00 0.00 O ATOM 1140 CG2 THR A 73 5.550 -5.460 -4.270 1.00 0.00 C ATOM 0 H THR A 73 5.504 -6.462 -1.735 1.00 0.00 H new ATOM 0 HA THR A 73 3.162 -5.076 -1.733 1.00 0.00 H new ATOM 0 HB THR A 73 5.174 -4.136 -2.597 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.178 -2.856 -3.978 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.145 -4.746 -4.839 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.212 -6.094 -3.679 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.972 -6.079 -4.956 1.00 0.00 H new ATOM 1148 N MET A 74 1.699 -5.615 -3.897 1.00 0.00 N ATOM 1149 CA MET A 74 0.769 -6.186 -4.872 1.00 0.00 C ATOM 1150 C MET A 74 1.562 -6.905 -5.942 1.00 0.00 C ATOM 1151 O MET A 74 2.613 -6.410 -6.317 1.00 0.00 O ATOM 1152 CB MET A 74 -0.114 -5.116 -5.572 1.00 0.00 C ATOM 1153 CG MET A 74 -1.211 -4.504 -4.658 1.00 0.00 C ATOM 1154 SD MET A 74 -2.524 -5.731 -4.325 1.00 0.00 S ATOM 1155 CE MET A 74 -2.300 -6.074 -2.552 1.00 0.00 C ATOM 0 H MET A 74 1.509 -4.646 -3.640 1.00 0.00 H new ATOM 0 HA MET A 74 0.110 -6.859 -4.324 1.00 0.00 H new ATOM 0 HB2 MET A 74 0.527 -4.314 -5.939 1.00 0.00 H new ATOM 0 HB3 MET A 74 -0.591 -5.567 -6.442 1.00 0.00 H new ATOM 0 HG2 MET A 74 -0.767 -4.173 -3.719 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.641 -3.623 -5.135 1.00 0.00 H new ATOM 0 HE1 MET A 74 -2.799 -7.009 -2.296 1.00 0.00 H new ATOM 0 HE2 MET A 74 -1.236 -6.158 -2.329 1.00 0.00 H new ATOM 0 HE3 MET A 74 -2.730 -5.261 -1.967 1.00 0.00 H new ATOM 1165 N GLY A 75 1.083 -8.074 -6.428 1.00 0.00 N ATOM 1166 CA GLY A 75 1.869 -8.869 -7.360 1.00 0.00 C ATOM 1167 C GLY A 75 1.526 -10.329 -7.194 1.00 0.00 C ATOM 1168 O GLY A 75 0.606 -10.639 -6.452 1.00 0.00 O ATOM 0 H GLY A 75 0.174 -8.469 -6.188 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.668 -8.552 -8.383 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.933 -8.712 -7.180 1.00 0.00 H new ATOM 1172 N GLY A 76 2.273 -11.221 -7.879 1.00 0.00 N ATOM 1173 CA GLY A 76 2.076 -12.661 -7.728 1.00 0.00 C ATOM 1174 C GLY A 76 3.262 -13.291 -7.037 1.00 0.00 C ATOM 1175 O GLY A 76 3.485 -14.474 -7.244 1.00 0.00 O ATOM 0 H GLY A 76 3.010 -10.963 -8.535 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.170 -12.851 -7.153 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.934 -13.119 -8.707 1.00 0.00 H new ATOM 1179 N LYS A 77 4.028 -12.537 -6.211 1.00 0.00 N ATOM 1180 CA LYS A 77 5.212 -13.109 -5.569 1.00 0.00 C ATOM 1181 C LYS A 77 5.646 -12.253 -4.403 1.00 0.00 C ATOM 1182 O LYS A 77 5.079 -11.185 -4.240 1.00 0.00 O ATOM 1183 CB LYS A 77 6.358 -13.209 -6.615 1.00 0.00 C ATOM 1184 CG LYS A 77 6.764 -11.831 -7.198 1.00 0.00 C ATOM 1185 CD LYS A 77 8.002 -11.888 -8.141 1.00 0.00 C ATOM 1186 CE LYS A 77 7.813 -12.776 -9.408 1.00 0.00 C ATOM 1187 NZ LYS A 77 8.373 -14.142 -9.259 1.00 0.00 N ATOM 0 H LYS A 77 3.846 -11.559 -5.985 1.00 0.00 H new ATOM 0 HA LYS A 77 4.972 -14.103 -5.191 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.228 -13.672 -6.150 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.045 -13.864 -7.428 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.919 -11.416 -7.748 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.976 -11.147 -6.376 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.248 -10.874 -8.457 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.856 -12.262 -7.576 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.750 -12.850 -9.635 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.288 -12.288 -10.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.214 -14.680 -10.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.394 -14.080 -9.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.904 -14.625 -8.467 1.00 0.00 H new ATOM 1201 N THR A 78 6.646 -12.683 -3.597 1.00 0.00 N ATOM 1202 CA THR A 78 7.212 -11.781 -2.594 1.00 0.00 C ATOM 1203 C THR A 78 8.270 -10.961 -3.296 1.00 0.00 C ATOM 1204 O THR A 78 8.761 -11.398 -4.325 1.00 0.00 O ATOM 1205 CB THR A 78 7.777 -12.536 -1.354 1.00 0.00 C ATOM 1206 OG1 THR A 78 7.780 -11.723 -0.166 1.00 0.00 O ATOM 1207 CG2 THR A 78 9.189 -13.135 -1.594 1.00 0.00 C ATOM 0 H THR A 78 7.058 -13.616 -3.626 1.00 0.00 H new ATOM 0 HA THR A 78 6.433 -11.137 -2.186 1.00 0.00 H new ATOM 0 HB THR A 78 7.089 -13.367 -1.197 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.141 -12.241 0.584 1.00 0.00 H new ATOM 0 HG21 THR A 78 9.525 -13.647 -0.692 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.148 -13.845 -2.420 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.887 -12.334 -1.838 1.00 0.00 H new ATOM 1215 N PHE A 79 8.634 -9.781 -2.750 1.00 0.00 N ATOM 1216 CA PHE A 79 9.690 -8.958 -3.338 1.00 0.00 C ATOM 1217 C PHE A 79 10.577 -8.487 -2.214 1.00 0.00 C ATOM 1218 O PHE A 79 10.251 -8.788 -1.079 1.00 0.00 O ATOM 1219 CB PHE A 79 9.069 -7.708 -4.008 1.00 0.00 C ATOM 1220 CG PHE A 79 8.012 -8.104 -5.044 1.00 0.00 C ATOM 1221 CD1 PHE A 79 6.716 -8.448 -4.643 1.00 0.00 C ATOM 1222 CD2 PHE A 79 8.335 -8.108 -6.406 1.00 0.00 C ATOM 1223 CE1 PHE A 79 5.729 -8.713 -5.597 1.00 0.00 C ATOM 1224 CE2 PHE A 79 7.353 -8.380 -7.361 1.00 0.00 C ATOM 1225 CZ PHE A 79 6.053 -8.689 -6.955 1.00 0.00 C ATOM 0 H PHE A 79 8.211 -9.387 -1.910 1.00 0.00 H new ATOM 0 HA PHE A 79 10.244 -9.535 -4.079 1.00 0.00 H new ATOM 0 HB2 PHE A 79 8.617 -7.071 -3.248 1.00 0.00 H new ATOM 0 HB3 PHE A 79 9.853 -7.123 -4.489 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.477 -8.509 -3.591 1.00 0.00 H new ATOM 0 HD2 PHE A 79 9.347 -7.900 -6.719 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.719 -8.936 -5.285 1.00 0.00 H new ATOM 0 HE2 PHE A 79 7.599 -8.351 -8.412 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.296 -8.910 -7.693 1.00 0.00 H new ATOM 1235 N LYS A 80 11.663 -7.738 -2.515 1.00 0.00 N ATOM 1236 CA LYS A 80 12.471 -7.117 -1.468 1.00 0.00 C ATOM 1237 C LYS A 80 12.628 -5.655 -1.814 1.00 0.00 C ATOM 1238 O LYS A 80 12.724 -5.356 -2.993 1.00 0.00 O ATOM 1239 CB LYS A 80 13.813 -7.867 -1.286 1.00 0.00 C ATOM 1240 CG LYS A 80 14.577 -7.409 -0.011 1.00 0.00 C ATOM 1241 CD LYS A 80 15.924 -8.155 0.208 1.00 0.00 C ATOM 1242 CE LYS A 80 16.996 -7.820 -0.865 1.00 0.00 C ATOM 1243 NZ LYS A 80 18.320 -8.374 -0.495 1.00 0.00 N ATOM 0 H LYS A 80 11.988 -7.557 -3.465 1.00 0.00 H new ATOM 0 HA LYS A 80 11.981 -7.185 -0.497 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.623 -8.939 -1.228 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.441 -7.702 -2.162 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.771 -6.338 -0.078 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.940 -7.563 0.860 1.00 0.00 H new ATOM 0 HD2 LYS A 80 16.315 -7.902 1.193 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.741 -9.229 0.205 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.687 -8.224 -1.829 1.00 0.00 H new ATOM 0 HE3 LYS A 80 17.071 -6.739 -0.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 19.015 -8.134 -1.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 18.624 -7.969 0.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 18.252 -9.408 -0.408 1.00 0.00 H new ATOM 1257 N ALA A 81 12.620 -4.734 -0.821 1.00 0.00 N ATOM 1258 CA ALA A 81 12.545 -3.310 -1.141 1.00 0.00 C ATOM 1259 C ALA A 81 12.948 -2.492 0.059 1.00 0.00 C ATOM 1260 O ALA A 81 12.636 -2.928 1.157 1.00 0.00 O ATOM 1261 CB ALA A 81 11.070 -3.004 -1.469 1.00 0.00 C ATOM 0 H ALA A 81 12.663 -4.952 0.174 1.00 0.00 H new ATOM 0 HA ALA A 81 13.206 -3.068 -1.973 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.964 -1.948 -1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.753 -3.609 -2.319 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.449 -3.239 -0.605 1.00 0.00 H new ATOM 1267 N THR A 82 13.631 -1.336 -0.123 1.00 0.00 N ATOM 1268 CA THR A 82 14.127 -0.592 1.030 1.00 0.00 C ATOM 1269 C THR A 82 13.143 0.487 1.402 1.00 0.00 C ATOM 1270 O THR A 82 13.056 1.463 0.674 1.00 0.00 O ATOM 1271 CB THR A 82 15.545 -0.015 0.775 1.00 0.00 C ATOM 1272 OG1 THR A 82 16.378 -1.103 0.335 1.00 0.00 O ATOM 1273 CG2 THR A 82 16.125 0.621 2.070 1.00 0.00 C ATOM 0 H THR A 82 13.839 -0.920 -1.031 1.00 0.00 H new ATOM 0 HA THR A 82 14.221 -1.279 1.871 1.00 0.00 H new ATOM 0 HB THR A 82 15.503 0.770 0.020 1.00 0.00 H new ATOM 0 HG1 THR A 82 17.284 -0.772 0.162 1.00 0.00 H new ATOM 0 HG21 THR A 82 17.119 1.018 1.866 1.00 0.00 H new ATOM 0 HG22 THR A 82 15.473 1.428 2.403 1.00 0.00 H new ATOM 0 HG23 THR A 82 16.190 -0.137 2.850 1.00 0.00 H new ATOM 1281 N VAL A 83 12.408 0.336 2.531 1.00 0.00 N ATOM 1282 CA VAL A 83 11.525 1.410 2.968 1.00 0.00 C ATOM 1283 C VAL A 83 12.407 2.447 3.620 1.00 0.00 C ATOM 1284 O VAL A 83 13.405 2.077 4.214 1.00 0.00 O ATOM 1285 CB VAL A 83 10.394 0.913 3.917 1.00 0.00 C ATOM 1286 CG1 VAL A 83 9.510 2.079 4.440 1.00 0.00 C ATOM 1287 CG2 VAL A 83 9.497 -0.124 3.187 1.00 0.00 C ATOM 0 H VAL A 83 12.416 -0.492 3.127 1.00 0.00 H new ATOM 0 HA VAL A 83 10.992 1.834 2.117 1.00 0.00 H new ATOM 0 HB VAL A 83 10.880 0.449 4.775 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.736 1.682 5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 83 10.129 2.785 4.993 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.044 2.589 3.597 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.711 -0.463 3.861 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.047 0.339 2.308 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.103 -0.976 2.878 1.00 0.00 H new ATOM 1297 N GLN A 84 12.049 3.744 3.508 1.00 0.00 N ATOM 1298 CA GLN A 84 12.733 4.811 4.227 1.00 0.00 C ATOM 1299 C GLN A 84 11.633 5.710 4.740 1.00 0.00 C ATOM 1300 O GLN A 84 10.474 5.383 4.539 1.00 0.00 O ATOM 1301 CB GLN A 84 13.754 5.541 3.310 1.00 0.00 C ATOM 1302 CG GLN A 84 14.743 4.546 2.655 1.00 0.00 C ATOM 1303 CD GLN A 84 15.750 5.228 1.758 1.00 0.00 C ATOM 1304 OE1 GLN A 84 15.798 6.448 1.715 1.00 0.00 O ATOM 1305 NE2 GLN A 84 16.578 4.455 1.021 1.00 0.00 N ATOM 0 H GLN A 84 11.282 4.067 2.918 1.00 0.00 H new ATOM 0 HA GLN A 84 13.336 4.440 5.056 1.00 0.00 H new ATOM 0 HB2 GLN A 84 13.220 6.089 2.534 1.00 0.00 H new ATOM 0 HB3 GLN A 84 14.309 6.275 3.894 1.00 0.00 H new ATOM 0 HG2 GLN A 84 15.271 3.998 3.436 1.00 0.00 H new ATOM 0 HG3 GLN A 84 14.183 3.813 2.074 1.00 0.00 H new ATOM 0 HE21 GLN A 84 16.513 3.439 1.079 1.00 0.00 H new ATOM 0 HE22 GLN A 84 17.268 4.888 0.407 1.00 0.00 H new ATOM 1314 N MET A 85 11.965 6.823 5.417 1.00 0.00 N ATOM 1315 CA MET A 85 10.944 7.591 6.130 1.00 0.00 C ATOM 1316 C MET A 85 11.417 9.013 6.269 1.00 0.00 C ATOM 1317 O MET A 85 12.620 9.201 6.351 1.00 0.00 O ATOM 1318 CB MET A 85 10.718 6.939 7.510 1.00 0.00 C ATOM 1319 CG MET A 85 9.384 7.370 8.165 1.00 0.00 C ATOM 1320 SD MET A 85 9.397 9.052 8.854 1.00 0.00 S ATOM 1321 CE MET A 85 7.609 9.363 8.701 1.00 0.00 C ATOM 0 H MET A 85 12.911 7.200 5.482 1.00 0.00 H new ATOM 0 HA MET A 85 10.000 7.594 5.585 1.00 0.00 H new ATOM 0 HB2 MET A 85 10.730 5.855 7.401 1.00 0.00 H new ATOM 0 HB3 MET A 85 11.544 7.202 8.171 1.00 0.00 H new ATOM 0 HG2 MET A 85 8.589 7.300 7.422 1.00 0.00 H new ATOM 0 HG3 MET A 85 9.139 6.666 8.961 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.380 10.362 9.073 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.315 9.290 7.654 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.060 8.624 9.284 1.00 0.00 H new ATOM 1331 N GLU A 86 10.511 10.015 6.302 1.00 0.00 N ATOM 1332 CA GLU A 86 10.969 11.392 6.488 1.00 0.00 C ATOM 1333 C GLU A 86 9.907 12.220 7.168 1.00 0.00 C ATOM 1334 O GLU A 86 8.772 11.775 7.221 1.00 0.00 O ATOM 1335 CB GLU A 86 11.453 11.992 5.139 1.00 0.00 C ATOM 1336 CG GLU A 86 10.287 12.319 4.167 1.00 0.00 C ATOM 1337 CD GLU A 86 9.513 13.532 4.617 1.00 0.00 C ATOM 1338 OE1 GLU A 86 10.148 14.592 4.868 1.00 0.00 O ATOM 1339 OE2 GLU A 86 8.263 13.444 4.724 1.00 0.00 O ATOM 0 H GLU A 86 9.502 9.897 6.206 1.00 0.00 H new ATOM 0 HA GLU A 86 11.832 11.400 7.154 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.021 12.901 5.335 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.133 11.289 4.658 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.684 12.491 3.166 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.616 11.462 4.101 1.00 0.00 H new ATOM 1346 N GLY A 87 10.263 13.413 7.700 1.00 0.00 N ATOM 1347 CA GLY A 87 9.288 14.208 8.440 1.00 0.00 C ATOM 1348 C GLY A 87 8.147 14.595 7.532 1.00 0.00 C ATOM 1349 O GLY A 87 8.241 15.631 6.892 1.00 0.00 O ATOM 0 H GLY A 87 11.193 13.826 7.628 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.911 13.639 9.290 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.764 15.102 8.842 1.00 0.00 H new ATOM 1353 N GLY A 88 7.076 13.769 7.457 1.00 0.00 N ATOM 1354 CA GLY A 88 5.941 14.094 6.599 1.00 0.00 C ATOM 1355 C GLY A 88 5.379 12.860 5.938 1.00 0.00 C ATOM 1356 O GLY A 88 4.166 12.773 5.822 1.00 0.00 O ATOM 0 H GLY A 88 6.986 12.894 7.973 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.163 14.578 7.190 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.252 14.807 5.836 1.00 0.00 H new ATOM 1360 N LYS A 89 6.227 11.907 5.475 1.00 0.00 N ATOM 1361 CA LYS A 89 5.692 10.777 4.725 1.00 0.00 C ATOM 1362 C LYS A 89 6.641 9.607 4.711 1.00 0.00 C ATOM 1363 O LYS A 89 7.778 9.741 5.135 1.00 0.00 O ATOM 1364 CB LYS A 89 5.334 11.238 3.282 1.00 0.00 C ATOM 1365 CG LYS A 89 6.567 11.353 2.344 1.00 0.00 C ATOM 1366 CD LYS A 89 6.131 11.772 0.912 1.00 0.00 C ATOM 1367 CE LYS A 89 7.339 11.824 -0.063 1.00 0.00 C ATOM 1368 NZ LYS A 89 6.912 12.179 -1.436 1.00 0.00 N ATOM 0 H LYS A 89 7.238 11.907 5.607 1.00 0.00 H new ATOM 0 HA LYS A 89 4.787 10.429 5.223 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.623 10.533 2.850 1.00 0.00 H new ATOM 0 HB3 LYS A 89 4.834 12.205 3.332 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.268 12.085 2.745 1.00 0.00 H new ATOM 0 HG3 LYS A 89 7.091 10.398 2.305 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.390 11.067 0.536 1.00 0.00 H new ATOM 0 HD3 LYS A 89 5.651 12.750 0.949 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.065 12.554 0.294 1.00 0.00 H new ATOM 0 HE3 LYS A 89 7.840 10.856 -0.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.742 12.205 -2.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.238 11.468 -1.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.456 13.114 -1.427 1.00 0.00 H new ATOM 1382 N LEU A 90 6.146 8.454 4.214 1.00 0.00 N ATOM 1383 CA LEU A 90 6.931 7.231 4.182 1.00 0.00 C ATOM 1384 C LEU A 90 7.416 7.033 2.769 1.00 0.00 C ATOM 1385 O LEU A 90 6.739 7.511 1.872 1.00 0.00 O ATOM 1386 CB LEU A 90 6.000 6.073 4.589 1.00 0.00 C ATOM 1387 CG LEU A 90 6.721 4.744 4.908 1.00 0.00 C ATOM 1388 CD1 LEU A 90 7.565 4.847 6.207 1.00 0.00 C ATOM 1389 CD2 LEU A 90 5.665 3.633 5.080 1.00 0.00 C ATOM 0 H LEU A 90 5.205 8.358 3.833 1.00 0.00 H new ATOM 0 HA LEU A 90 7.785 7.274 4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.425 6.378 5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.286 5.899 3.784 1.00 0.00 H new ATOM 0 HG LEU A 90 7.396 4.515 4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 90 8.057 3.893 6.398 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.318 5.627 6.091 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.914 5.094 7.045 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.163 2.690 5.306 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.993 3.893 5.898 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.092 3.530 4.158 1.00 0.00 H new ATOM 1401 N VAL A 91 8.561 6.344 2.560 1.00 0.00 N ATOM 1402 CA VAL A 91 9.111 6.204 1.216 1.00 0.00 C ATOM 1403 C VAL A 91 9.478 4.764 0.962 1.00 0.00 C ATOM 1404 O VAL A 91 9.901 4.131 1.911 1.00 0.00 O ATOM 1405 CB VAL A 91 10.366 7.113 1.119 1.00 0.00 C ATOM 1406 CG1 VAL A 91 10.965 7.109 -0.314 1.00 0.00 C ATOM 1407 CG2 VAL A 91 10.068 8.561 1.601 1.00 0.00 C ATOM 0 H VAL A 91 9.103 5.890 3.295 1.00 0.00 H new ATOM 0 HA VAL A 91 8.378 6.501 0.466 1.00 0.00 H new ATOM 0 HB VAL A 91 11.116 6.694 1.790 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.842 7.756 -0.344 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.254 6.093 -0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 91 10.220 7.475 -1.021 1.00 0.00 H new ATOM 0 HG21 VAL A 91 10.971 9.165 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.282 8.996 0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.741 8.538 2.641 1.00 0.00 H new ATOM 1417 N VAL A 92 9.353 4.221 -0.270 1.00 0.00 N ATOM 1418 CA VAL A 92 9.883 2.889 -0.551 1.00 0.00 C ATOM 1419 C VAL A 92 10.178 2.737 -2.024 1.00 0.00 C ATOM 1420 O VAL A 92 9.601 3.461 -2.821 1.00 0.00 O ATOM 1421 CB VAL A 92 8.917 1.780 -0.043 1.00 0.00 C ATOM 1422 CG1 VAL A 92 7.538 1.853 -0.737 1.00 0.00 C ATOM 1423 CG2 VAL A 92 9.481 0.341 -0.221 1.00 0.00 C ATOM 0 H VAL A 92 8.900 4.679 -1.061 1.00 0.00 H new ATOM 0 HA VAL A 92 10.821 2.772 -0.008 1.00 0.00 H new ATOM 0 HB VAL A 92 8.808 1.978 1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 92 6.895 1.061 -0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 92 7.080 2.822 -0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.665 1.728 -1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 92 8.757 -0.383 0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 92 9.669 0.152 -1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 92 10.413 0.244 0.336 1.00 0.00 H new ATOM 1433 N ASN A 93 11.075 1.792 -2.385 1.00 0.00 N ATOM 1434 CA ASN A 93 11.374 1.532 -3.787 1.00 0.00 C ATOM 1435 C ASN A 93 11.709 0.066 -3.963 1.00 0.00 C ATOM 1436 O ASN A 93 12.315 -0.499 -3.067 1.00 0.00 O ATOM 1437 CB ASN A 93 12.534 2.428 -4.277 1.00 0.00 C ATOM 1438 CG ASN A 93 13.765 2.192 -3.435 1.00 0.00 C ATOM 1439 OD1 ASN A 93 14.638 1.452 -3.862 1.00 0.00 O ATOM 1440 ND2 ASN A 93 13.863 2.799 -2.230 1.00 0.00 N ATOM 0 H ASN A 93 11.592 1.210 -1.725 1.00 0.00 H new ATOM 0 HA ASN A 93 10.499 1.772 -4.391 1.00 0.00 H new ATOM 0 HB2 ASN A 93 12.753 2.213 -5.323 1.00 0.00 H new ATOM 0 HB3 ASN A 93 12.242 3.477 -4.222 1.00 0.00 H new ATOM 0 HD21 ASN A 93 14.685 2.645 -1.647 1.00 0.00 H new ATOM 0 HD22 ASN A 93 13.115 3.411 -1.905 1.00 0.00 H new ATOM 1447 N PHE A 94 11.309 -0.543 -5.104 1.00 0.00 N ATOM 1448 CA PHE A 94 11.479 -1.981 -5.328 1.00 0.00 C ATOM 1449 C PHE A 94 12.250 -2.123 -6.618 1.00 0.00 C ATOM 1450 O PHE A 94 12.285 -1.134 -7.335 1.00 0.00 O ATOM 1451 CB PHE A 94 10.076 -2.593 -5.617 1.00 0.00 C ATOM 1452 CG PHE A 94 9.124 -2.553 -4.418 1.00 0.00 C ATOM 1453 CD1 PHE A 94 8.600 -1.335 -3.971 1.00 0.00 C ATOM 1454 CD2 PHE A 94 8.757 -3.738 -3.770 1.00 0.00 C ATOM 1455 CE1 PHE A 94 7.757 -1.301 -2.858 1.00 0.00 C ATOM 1456 CE2 PHE A 94 7.966 -3.698 -2.620 1.00 0.00 C ATOM 1457 CZ PHE A 94 7.473 -2.475 -2.159 1.00 0.00 C ATOM 0 H PHE A 94 10.866 -0.051 -5.880 1.00 0.00 H new ATOM 0 HA PHE A 94 11.965 -2.456 -4.476 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.620 -2.056 -6.449 1.00 0.00 H new ATOM 0 HB3 PHE A 94 10.200 -3.628 -5.936 1.00 0.00 H new ATOM 0 HD1 PHE A 94 8.848 -0.420 -4.488 1.00 0.00 H new ATOM 0 HD2 PHE A 94 9.087 -4.689 -4.162 1.00 0.00 H new ATOM 0 HE1 PHE A 94 7.324 -0.365 -2.538 1.00 0.00 H new ATOM 0 HE2 PHE A 94 7.736 -4.610 -2.089 1.00 0.00 H new ATOM 0 HZ PHE A 94 6.872 -2.438 -1.262 1.00 0.00 H new ATOM 1467 N PRO A 95 12.839 -3.278 -7.017 1.00 0.00 N ATOM 1468 CA PRO A 95 13.356 -3.388 -8.377 1.00 0.00 C ATOM 1469 C PRO A 95 12.210 -3.618 -9.347 1.00 0.00 C ATOM 1470 O PRO A 95 12.228 -4.617 -10.046 1.00 0.00 O ATOM 1471 CB PRO A 95 14.274 -4.622 -8.184 1.00 0.00 C ATOM 1472 CG PRO A 95 13.505 -5.475 -7.148 1.00 0.00 C ATOM 1473 CD PRO A 95 13.003 -4.424 -6.130 1.00 0.00 C ATOM 0 HA PRO A 95 13.870 -2.521 -8.793 1.00 0.00 H new ATOM 0 HB2 PRO A 95 14.424 -5.162 -9.119 1.00 0.00 H new ATOM 0 HB3 PRO A 95 15.260 -4.337 -7.818 1.00 0.00 H new ATOM 0 HG2 PRO A 95 12.679 -6.018 -7.607 1.00 0.00 H new ATOM 0 HG3 PRO A 95 14.151 -6.216 -6.677 1.00 0.00 H new ATOM 0 HD2 PRO A 95 12.069 -4.719 -5.652 1.00 0.00 H new ATOM 0 HD3 PRO A 95 13.724 -4.236 -5.334 1.00 0.00 H new ATOM 1481 N ASN A 96 11.211 -2.702 -9.410 1.00 0.00 N ATOM 1482 CA ASN A 96 10.051 -2.884 -10.288 1.00 0.00 C ATOM 1483 C ASN A 96 9.202 -1.620 -10.247 1.00 0.00 C ATOM 1484 O ASN A 96 9.230 -0.867 -11.207 1.00 0.00 O ATOM 1485 CB ASN A 96 9.190 -4.128 -9.907 1.00 0.00 C ATOM 1486 CG ASN A 96 9.708 -5.440 -10.450 1.00 0.00 C ATOM 1487 OD1 ASN A 96 10.127 -6.283 -9.672 1.00 0.00 O ATOM 1488 ND2 ASN A 96 9.687 -5.645 -11.786 1.00 0.00 N ATOM 0 H ASN A 96 11.194 -1.840 -8.864 1.00 0.00 H new ATOM 0 HA ASN A 96 10.420 -3.066 -11.297 1.00 0.00 H new ATOM 0 HB2 ASN A 96 9.134 -4.196 -8.821 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.174 -3.975 -10.270 1.00 0.00 H new ATOM 0 HD21 ASN A 96 10.028 -6.525 -12.172 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.330 -4.919 -12.408 1.00 0.00 H new ATOM 1495 N TYR A 97 8.458 -1.383 -9.137 1.00 0.00 N ATOM 1496 CA TYR A 97 7.610 -0.198 -8.977 1.00 0.00 C ATOM 1497 C TYR A 97 8.182 0.664 -7.867 1.00 0.00 C ATOM 1498 O TYR A 97 9.205 0.300 -7.309 1.00 0.00 O ATOM 1499 CB TYR A 97 6.143 -0.649 -8.700 1.00 0.00 C ATOM 1500 CG TYR A 97 5.718 -0.779 -7.224 1.00 0.00 C ATOM 1501 CD1 TYR A 97 6.193 -1.810 -6.410 1.00 0.00 C ATOM 1502 CD2 TYR A 97 4.803 0.122 -6.665 1.00 0.00 C ATOM 1503 CE1 TYR A 97 5.766 -1.901 -5.083 1.00 0.00 C ATOM 1504 CE2 TYR A 97 4.213 -0.110 -5.421 1.00 0.00 C ATOM 1505 CZ TYR A 97 4.776 -1.063 -4.572 1.00 0.00 C ATOM 1506 OH TYR A 97 4.372 -1.195 -3.240 1.00 0.00 O ATOM 0 H TYR A 97 8.436 -2.013 -8.335 1.00 0.00 H new ATOM 0 HA TYR A 97 7.593 0.403 -9.886 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.473 0.061 -9.184 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.988 -1.614 -9.183 1.00 0.00 H new ATOM 0 HD1 TYR A 97 6.889 -2.535 -6.806 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.547 1.019 -7.210 1.00 0.00 H new ATOM 0 HE1 TYR A 97 6.215 -2.640 -4.436 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.334 0.440 -5.120 1.00 0.00 H new ATOM 0 HH TYR A 97 5.145 -1.428 -2.685 1.00 0.00 H new ATOM 1516 N HIS A 98 7.539 1.804 -7.527 1.00 0.00 N ATOM 1517 CA HIS A 98 7.976 2.641 -6.406 1.00 0.00 C ATOM 1518 C HIS A 98 6.743 3.109 -5.680 1.00 0.00 C ATOM 1519 O HIS A 98 5.695 3.131 -6.305 1.00 0.00 O ATOM 1520 CB HIS A 98 8.815 3.856 -6.892 1.00 0.00 C ATOM 1521 CG HIS A 98 8.769 5.076 -5.991 1.00 0.00 C ATOM 1522 ND1 HIS A 98 7.709 5.807 -5.708 1.00 0.00 N ATOM 1523 CD2 HIS A 98 9.834 5.598 -5.354 1.00 0.00 C ATOM 1524 CE1 HIS A 98 8.035 6.782 -4.921 1.00 0.00 C ATOM 1525 NE2 HIS A 98 9.259 6.720 -4.668 1.00 0.00 N ATOM 0 H HIS A 98 6.718 2.158 -8.017 1.00 0.00 H new ATOM 0 HA HIS A 98 8.619 2.061 -5.744 1.00 0.00 H new ATOM 0 HB2 HIS A 98 9.853 3.541 -6.997 1.00 0.00 H new ATOM 0 HB3 HIS A 98 8.467 4.144 -7.884 1.00 0.00 H new ATOM 0 HD2 HIS A 98 10.859 5.259 -5.358 1.00 0.00 H new ATOM 0 HE1 HIS A 98 7.356 7.532 -4.542 1.00 0.00 H new ATOM 0 HE2 HIS A 98 9.769 7.367 -4.067 1.00 0.00 H new ATOM 1533 N GLN A 99 6.837 3.495 -4.385 1.00 0.00 N ATOM 1534 CA GLN A 99 5.642 3.942 -3.672 1.00 0.00 C ATOM 1535 C GLN A 99 6.024 4.823 -2.506 1.00 0.00 C ATOM 1536 O GLN A 99 7.134 4.686 -2.019 1.00 0.00 O ATOM 1537 CB GLN A 99 4.824 2.676 -3.298 1.00 0.00 C ATOM 1538 CG GLN A 99 3.476 2.923 -2.568 1.00 0.00 C ATOM 1539 CD GLN A 99 3.664 3.172 -1.093 1.00 0.00 C ATOM 1540 OE1 GLN A 99 3.358 4.260 -0.638 1.00 0.00 O ATOM 1541 NE2 GLN A 99 4.154 2.183 -0.312 1.00 0.00 N ATOM 0 H GLN A 99 7.699 3.503 -3.839 1.00 0.00 H new ATOM 0 HA GLN A 99 5.003 4.574 -4.289 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.622 2.116 -4.211 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.445 2.041 -2.666 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.973 3.779 -3.018 1.00 0.00 H new ATOM 0 HG3 GLN A 99 2.825 2.060 -2.709 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.401 1.283 -0.724 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.277 2.337 0.689 1.00 0.00 H new ATOM 1550 N THR A 100 5.129 5.742 -2.073 1.00 0.00 N ATOM 1551 CA THR A 100 5.435 6.656 -0.973 1.00 0.00 C ATOM 1552 C THR A 100 4.172 6.794 -0.152 1.00 0.00 C ATOM 1553 O THR A 100 3.275 7.486 -0.609 1.00 0.00 O ATOM 1554 CB THR A 100 5.854 8.032 -1.568 1.00 0.00 C ATOM 1555 OG1 THR A 100 5.123 8.218 -2.794 1.00 0.00 O ATOM 1556 CG2 THR A 100 7.385 8.117 -1.816 1.00 0.00 C ATOM 0 H THR A 100 4.198 5.861 -2.473 1.00 0.00 H new ATOM 0 HA THR A 100 6.250 6.287 -0.351 1.00 0.00 H new ATOM 0 HB THR A 100 5.618 8.824 -0.857 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.366 9.080 -3.192 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.633 9.094 -2.231 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.915 7.979 -0.873 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.684 7.338 -2.518 1.00 0.00 H new ATOM 1564 N SER A 101 4.063 6.143 1.034 1.00 0.00 N ATOM 1565 CA SER A 101 2.821 6.244 1.798 1.00 0.00 C ATOM 1566 C SER A 101 2.824 7.581 2.490 1.00 0.00 C ATOM 1567 O SER A 101 3.888 8.173 2.563 1.00 0.00 O ATOM 1568 CB SER A 101 2.565 5.071 2.778 1.00 0.00 C ATOM 1569 OG SER A 101 2.813 3.805 2.147 1.00 0.00 O ATOM 0 H SER A 101 4.793 5.569 1.457 1.00 0.00 H new ATOM 0 HA SER A 101 1.984 6.168 1.104 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.207 5.177 3.652 1.00 0.00 H new ATOM 0 HB3 SER A 101 1.535 5.108 3.133 1.00 0.00 H new ATOM 0 HG SER A 101 2.952 3.940 1.186 1.00 0.00 H new ATOM 1575 N GLU A 102 1.669 8.085 2.980 1.00 0.00 N ATOM 1576 CA GLU A 102 1.631 9.456 3.485 1.00 0.00 C ATOM 1577 C GLU A 102 0.433 9.642 4.394 1.00 0.00 C ATOM 1578 O GLU A 102 -0.677 9.510 3.904 1.00 0.00 O ATOM 1579 CB GLU A 102 1.563 10.394 2.252 1.00 0.00 C ATOM 1580 CG GLU A 102 1.381 11.878 2.661 1.00 0.00 C ATOM 1581 CD GLU A 102 1.390 12.743 1.428 1.00 0.00 C ATOM 1582 OE1 GLU A 102 2.496 13.197 1.025 1.00 0.00 O ATOM 1583 OE2 GLU A 102 0.292 12.971 0.850 1.00 0.00 O ATOM 0 H GLU A 102 0.786 7.577 3.032 1.00 0.00 H new ATOM 0 HA GLU A 102 2.517 9.686 4.077 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.476 10.289 1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.735 10.091 1.611 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.443 12.005 3.201 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.181 12.181 3.337 1.00 0.00 H new ATOM 1590 N ILE A 103 0.631 9.951 5.700 1.00 0.00 N ATOM 1591 CA ILE A 103 -0.498 10.208 6.600 1.00 0.00 C ATOM 1592 C ILE A 103 -0.831 11.678 6.548 1.00 0.00 C ATOM 1593 O ILE A 103 0.071 12.465 6.306 1.00 0.00 O ATOM 1594 CB ILE A 103 -0.177 9.735 8.051 1.00 0.00 C ATOM 1595 CG1 ILE A 103 -0.264 8.189 8.153 1.00 0.00 C ATOM 1596 CG2 ILE A 103 -1.018 10.434 9.157 1.00 0.00 C ATOM 1597 CD1 ILE A 103 -1.684 7.626 8.402 1.00 0.00 C ATOM 0 H ILE A 103 1.549 10.025 6.138 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.367 9.637 6.275 1.00 0.00 H new ATOM 0 HB ILE A 103 0.849 10.046 8.247 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.125 7.757 7.231 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.389 7.856 8.960 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -0.730 10.045 10.134 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.838 11.509 9.127 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -2.077 10.239 8.987 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -1.640 6.538 8.458 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -2.073 8.022 9.340 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -2.341 7.921 7.584 1.00 0.00 H new ATOM 1609 N VAL A 104 -2.116 12.054 6.770 1.00 0.00 N ATOM 1610 CA VAL A 104 -2.510 13.462 6.729 1.00 0.00 C ATOM 1611 C VAL A 104 -3.481 13.696 7.872 1.00 0.00 C ATOM 1612 O VAL A 104 -4.675 13.804 7.643 1.00 0.00 O ATOM 1613 CB VAL A 104 -3.107 13.808 5.331 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -3.380 15.332 5.198 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -2.184 13.329 4.176 1.00 0.00 C ATOM 0 H VAL A 104 -2.876 11.405 6.975 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.656 14.127 6.860 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.054 13.275 5.251 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -3.796 15.543 4.213 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.089 15.643 5.965 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.447 15.881 5.323 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -2.635 13.589 3.218 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -1.212 13.814 4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -2.057 12.248 4.236 1.00 0.00 H new ATOM 1625 N GLY A 105 -2.974 13.773 9.126 1.00 0.00 N ATOM 1626 CA GLY A 105 -3.847 14.020 10.272 1.00 0.00 C ATOM 1627 C GLY A 105 -4.634 12.776 10.613 1.00 0.00 C ATOM 1628 O GLY A 105 -4.224 12.044 11.499 1.00 0.00 O ATOM 0 H GLY A 105 -1.986 13.669 9.355 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.251 14.328 11.131 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.530 14.840 10.047 1.00 0.00 H new ATOM 1632 N ASP A 106 -5.765 12.530 9.910 1.00 0.00 N ATOM 1633 CA ASP A 106 -6.611 11.373 10.205 1.00 0.00 C ATOM 1634 C ASP A 106 -7.035 10.795 8.877 1.00 0.00 C ATOM 1635 O ASP A 106 -8.210 10.789 8.546 1.00 0.00 O ATOM 1636 CB ASP A 106 -7.808 11.826 11.078 1.00 0.00 C ATOM 1637 CG ASP A 106 -7.289 12.377 12.380 1.00 0.00 C ATOM 1638 OD1 ASP A 106 -7.104 11.576 13.336 1.00 0.00 O ATOM 1639 OD2 ASP A 106 -7.055 13.614 12.457 1.00 0.00 O ATOM 0 H ASP A 106 -6.101 13.116 9.145 1.00 0.00 H new ATOM 0 HA ASP A 106 -6.089 10.604 10.774 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.389 12.585 10.554 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -8.476 10.985 11.265 1.00 0.00 H new ATOM 1644 N LYS A 107 -6.034 10.324 8.102 1.00 0.00 N ATOM 1645 CA LYS A 107 -6.287 9.866 6.737 1.00 0.00 C ATOM 1646 C LYS A 107 -5.005 9.237 6.239 1.00 0.00 C ATOM 1647 O LYS A 107 -3.969 9.826 6.501 1.00 0.00 O ATOM 1648 CB LYS A 107 -6.579 11.129 5.883 1.00 0.00 C ATOM 1649 CG LYS A 107 -6.898 10.835 4.390 1.00 0.00 C ATOM 1650 CD LYS A 107 -6.471 12.019 3.473 1.00 0.00 C ATOM 1651 CE LYS A 107 -7.018 13.422 3.860 1.00 0.00 C ATOM 1652 NZ LYS A 107 -8.491 13.498 3.773 1.00 0.00 N ATOM 0 H LYS A 107 -5.061 10.255 8.401 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.115 9.159 6.683 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.421 11.664 6.323 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -5.717 11.794 5.934 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -6.382 9.927 4.078 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -7.966 10.650 4.274 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -5.382 12.068 3.462 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -6.791 11.796 2.455 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -6.704 13.663 4.876 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -6.579 14.173 3.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -8.806 14.452 4.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -8.792 13.295 2.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.913 12.801 4.419 1.00 0.00 H new ATOM 1666 N LEU A 108 -5.041 8.082 5.538 1.00 0.00 N ATOM 1667 CA LEU A 108 -3.822 7.503 4.978 1.00 0.00 C ATOM 1668 C LEU A 108 -3.966 7.625 3.483 1.00 0.00 C ATOM 1669 O LEU A 108 -5.035 7.297 2.996 1.00 0.00 O ATOM 1670 CB LEU A 108 -3.659 6.019 5.414 1.00 0.00 C ATOM 1671 CG LEU A 108 -2.603 5.227 4.586 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -1.158 5.608 5.009 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -2.816 3.697 4.741 1.00 0.00 C ATOM 0 H LEU A 108 -5.890 7.548 5.354 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.930 8.019 5.333 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.377 5.989 6.466 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -4.623 5.518 5.328 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.737 5.496 3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.443 5.040 4.414 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -1.000 6.674 4.845 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.015 5.378 6.065 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.068 3.164 4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.718 3.421 5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.812 3.431 4.387 1.00 0.00 H new ATOM 1685 N VAL A 109 -2.919 8.072 2.747 1.00 0.00 N ATOM 1686 CA VAL A 109 -2.984 8.080 1.287 1.00 0.00 C ATOM 1687 C VAL A 109 -1.671 7.534 0.789 1.00 0.00 C ATOM 1688 O VAL A 109 -0.722 7.552 1.558 1.00 0.00 O ATOM 1689 CB VAL A 109 -3.283 9.497 0.705 1.00 0.00 C ATOM 1690 CG1 VAL A 109 -4.304 10.244 1.597 1.00 0.00 C ATOM 1691 CG2 VAL A 109 -2.014 10.371 0.535 1.00 0.00 C ATOM 0 H VAL A 109 -2.045 8.421 3.140 1.00 0.00 H new ATOM 0 HA VAL A 109 -3.815 7.461 0.948 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.698 9.333 -0.289 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -4.501 11.230 1.177 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -5.233 9.676 1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -3.898 10.353 2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.293 11.342 0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -1.535 10.509 1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.320 9.877 -0.145 1.00 0.00 H new ATOM 1701 N GLU A 110 -1.594 7.060 -0.475 1.00 0.00 N ATOM 1702 CA GLU A 110 -0.324 6.564 -0.997 1.00 0.00 C ATOM 1703 C GLU A 110 -0.162 7.001 -2.431 1.00 0.00 C ATOM 1704 O GLU A 110 -1.142 7.465 -2.990 1.00 0.00 O ATOM 1705 CB GLU A 110 -0.220 5.018 -0.867 1.00 0.00 C ATOM 1706 CG GLU A 110 -0.721 4.503 0.510 1.00 0.00 C ATOM 1707 CD GLU A 110 -0.483 3.022 0.671 1.00 0.00 C ATOM 1708 OE1 GLU A 110 0.681 2.581 0.471 1.00 0.00 O ATOM 1709 OE2 GLU A 110 -1.452 2.286 1.006 1.00 0.00 O ATOM 0 H GLU A 110 -2.377 7.015 -1.127 1.00 0.00 H new ATOM 0 HA GLU A 110 0.486 6.989 -0.403 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -0.802 4.550 -1.660 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.817 4.713 -1.010 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -0.211 5.043 1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -1.785 4.714 0.612 1.00 0.00 H new ATOM 1716 N VAL A 111 1.051 6.871 -3.019 1.00 0.00 N ATOM 1717 CA VAL A 111 1.262 7.240 -4.419 1.00 0.00 C ATOM 1718 C VAL A 111 2.154 6.184 -5.033 1.00 0.00 C ATOM 1719 O VAL A 111 3.360 6.286 -4.875 1.00 0.00 O ATOM 1720 CB VAL A 111 1.891 8.654 -4.551 1.00 0.00 C ATOM 1721 CG1 VAL A 111 2.101 9.012 -6.051 1.00 0.00 C ATOM 1722 CG2 VAL A 111 0.986 9.715 -3.869 1.00 0.00 C ATOM 0 H VAL A 111 1.882 6.517 -2.544 1.00 0.00 H new ATOM 0 HA VAL A 111 0.307 7.285 -4.942 1.00 0.00 H new ATOM 0 HB VAL A 111 2.860 8.650 -4.052 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.542 10.006 -6.130 1.00 0.00 H new ATOM 0 HG12 VAL A 111 2.767 8.281 -6.510 1.00 0.00 H new ATOM 0 HG13 VAL A 111 1.140 9.000 -6.566 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.441 10.700 -3.970 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.006 9.717 -4.345 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.875 9.473 -2.812 1.00 0.00 H new ATOM 1732 N SER A 112 1.591 5.168 -5.728 1.00 0.00 N ATOM 1733 CA SER A 112 2.436 4.146 -6.348 1.00 0.00 C ATOM 1734 C SER A 112 3.032 4.693 -7.626 1.00 0.00 C ATOM 1735 O SER A 112 2.632 5.767 -8.044 1.00 0.00 O ATOM 1736 CB SER A 112 1.632 2.841 -6.549 1.00 0.00 C ATOM 1737 OG SER A 112 1.358 2.240 -5.272 1.00 0.00 O ATOM 0 H SER A 112 0.588 5.043 -5.866 1.00 0.00 H new ATOM 0 HA SER A 112 3.270 3.890 -5.694 1.00 0.00 H new ATOM 0 HB2 SER A 112 0.698 3.054 -7.069 1.00 0.00 H new ATOM 0 HB3 SER A 112 2.195 2.148 -7.175 1.00 0.00 H new ATOM 0 HG SER A 112 0.847 1.414 -5.402 1.00 0.00 H new ATOM 1743 N THR A 113 4.002 3.986 -8.250 1.00 0.00 N ATOM 1744 CA THR A 113 4.700 4.519 -9.417 1.00 0.00 C ATOM 1745 C THR A 113 5.384 3.419 -10.184 1.00 0.00 C ATOM 1746 O THR A 113 5.816 2.480 -9.538 1.00 0.00 O ATOM 1747 CB THR A 113 5.773 5.515 -8.917 1.00 0.00 C ATOM 1748 OG1 THR A 113 5.176 6.658 -8.283 1.00 0.00 O ATOM 1749 CG2 THR A 113 6.777 5.940 -10.014 1.00 0.00 C ATOM 0 H THR A 113 4.308 3.057 -7.961 1.00 0.00 H new ATOM 0 HA THR A 113 3.980 5.005 -10.076 1.00 0.00 H new ATOM 0 HB THR A 113 6.355 4.976 -8.169 1.00 0.00 H new ATOM 0 HG1 THR A 113 4.203 6.546 -8.257 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.501 6.639 -9.594 1.00 0.00 H new ATOM 0 HG22 THR A 113 7.298 5.060 -10.391 1.00 0.00 H new ATOM 0 HG23 THR A 113 6.240 6.421 -10.832 1.00 0.00 H new ATOM 1757 N ILE A 114 5.507 3.512 -11.530 1.00 0.00 N ATOM 1758 CA ILE A 114 6.194 2.456 -12.268 1.00 0.00 C ATOM 1759 C ILE A 114 6.682 2.971 -13.605 1.00 0.00 C ATOM 1760 O ILE A 114 6.130 2.667 -14.650 1.00 0.00 O ATOM 1761 CB ILE A 114 5.300 1.189 -12.352 1.00 0.00 C ATOM 1762 CG1 ILE A 114 6.138 -0.011 -12.869 1.00 0.00 C ATOM 1763 CG2 ILE A 114 3.990 1.415 -13.152 1.00 0.00 C ATOM 1764 CD1 ILE A 114 5.330 -1.322 -12.834 1.00 0.00 C ATOM 0 H ILE A 114 5.151 4.281 -12.098 1.00 0.00 H new ATOM 0 HA ILE A 114 7.092 2.149 -11.732 1.00 0.00 H new ATOM 0 HB ILE A 114 4.956 0.950 -11.345 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.468 0.187 -13.889 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.035 -0.119 -12.259 1.00 0.00 H new ATOM 0 HG21 ILE A 114 3.412 0.491 -13.172 1.00 0.00 H new ATOM 0 HG22 ILE A 114 3.403 2.200 -12.675 1.00 0.00 H new ATOM 0 HG23 ILE A 114 4.233 1.713 -14.172 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.948 -2.140 -13.203 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.023 -1.533 -11.810 1.00 0.00 H new ATOM 0 HD13 ILE A 114 4.447 -1.222 -13.465 1.00 0.00 H new ATOM 1776 N GLY A 115 7.760 3.780 -13.574 1.00 0.00 N ATOM 1777 CA GLY A 115 8.339 4.295 -14.811 1.00 0.00 C ATOM 1778 C GLY A 115 7.390 5.162 -15.604 1.00 0.00 C ATOM 1779 O GLY A 115 7.621 5.303 -16.794 1.00 0.00 O ATOM 0 H GLY A 115 8.232 4.080 -12.721 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.232 4.872 -14.572 1.00 0.00 H new ATOM 0 HA3 GLY A 115 8.657 3.457 -15.431 1.00 0.00 H new ATOM 1783 N GLY A 116 6.342 5.765 -14.990 1.00 0.00 N ATOM 1784 CA GLY A 116 5.467 6.661 -15.743 1.00 0.00 C ATOM 1785 C GLY A 116 4.056 6.641 -15.207 1.00 0.00 C ATOM 1786 O GLY A 116 3.489 7.702 -14.998 1.00 0.00 O ATOM 0 H GLY A 116 6.097 5.645 -14.007 1.00 0.00 H new ATOM 0 HA2 GLY A 116 5.860 7.677 -15.697 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.462 6.368 -16.793 1.00 0.00 H new ATOM 1790 N VAL A 117 3.478 5.435 -15.000 1.00 0.00 N ATOM 1791 CA VAL A 117 2.090 5.343 -14.541 1.00 0.00 C ATOM 1792 C VAL A 117 2.117 5.349 -13.031 1.00 0.00 C ATOM 1793 O VAL A 117 3.128 4.949 -12.476 1.00 0.00 O ATOM 1794 CB VAL A 117 1.381 4.086 -15.130 1.00 0.00 C ATOM 1795 CG1 VAL A 117 -0.099 3.962 -14.672 1.00 0.00 C ATOM 1796 CG2 VAL A 117 1.435 4.124 -16.684 1.00 0.00 C ATOM 0 H VAL A 117 3.944 4.539 -15.142 1.00 0.00 H new ATOM 0 HA VAL A 117 1.504 6.191 -14.895 1.00 0.00 H new ATOM 0 HB VAL A 117 1.917 3.216 -14.752 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.543 3.069 -15.112 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -0.139 3.889 -13.585 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -0.655 4.841 -14.997 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.937 3.242 -17.087 1.00 0.00 H new ATOM 0 HG22 VAL A 117 0.931 5.021 -17.044 1.00 0.00 H new ATOM 0 HG23 VAL A 117 2.474 4.136 -17.012 1.00 0.00 H new ATOM 1806 N THR A 118 1.032 5.807 -12.364 1.00 0.00 N ATOM 1807 CA THR A 118 0.997 5.874 -10.903 1.00 0.00 C ATOM 1808 C THR A 118 -0.260 5.182 -10.443 1.00 0.00 C ATOM 1809 O THR A 118 -1.133 4.967 -11.265 1.00 0.00 O ATOM 1810 CB THR A 118 1.087 7.370 -10.461 1.00 0.00 C ATOM 1811 OG1 THR A 118 2.480 7.700 -10.301 1.00 0.00 O ATOM 1812 CG2 THR A 118 0.277 7.745 -9.186 1.00 0.00 C ATOM 0 H THR A 118 0.179 6.131 -12.820 1.00 0.00 H new ATOM 0 HA THR A 118 1.843 5.365 -10.441 1.00 0.00 H new ATOM 0 HB THR A 118 0.615 7.961 -11.246 1.00 0.00 H new ATOM 0 HG1 THR A 118 2.857 7.179 -9.561 1.00 0.00 H new ATOM 0 HG21 THR A 118 0.410 8.805 -8.969 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.780 7.538 -9.353 1.00 0.00 H new ATOM 0 HG23 THR A 118 0.633 7.155 -8.342 1.00 0.00 H new ATOM 1820 N TYR A 119 -0.374 4.837 -9.141 1.00 0.00 N ATOM 1821 CA TYR A 119 -1.661 4.425 -8.591 1.00 0.00 C ATOM 1822 C TYR A 119 -1.790 5.045 -7.220 1.00 0.00 C ATOM 1823 O TYR A 119 -1.356 4.427 -6.260 1.00 0.00 O ATOM 1824 CB TYR A 119 -1.867 2.892 -8.538 1.00 0.00 C ATOM 1825 CG TYR A 119 -2.897 2.466 -7.482 1.00 0.00 C ATOM 1826 CD1 TYR A 119 -4.075 3.194 -7.291 1.00 0.00 C ATOM 1827 CD2 TYR A 119 -2.671 1.332 -6.693 1.00 0.00 C ATOM 1828 CE1 TYR A 119 -4.965 2.843 -6.276 1.00 0.00 C ATOM 1829 CE2 TYR A 119 -3.599 0.940 -5.722 1.00 0.00 C ATOM 1830 CZ TYR A 119 -4.759 1.696 -5.510 1.00 0.00 C ATOM 1831 OH TYR A 119 -5.703 1.331 -4.545 1.00 0.00 O ATOM 0 H TYR A 119 0.397 4.839 -8.474 1.00 0.00 H new ATOM 0 HA TYR A 119 -2.446 4.777 -9.260 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -2.191 2.539 -9.517 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -0.913 2.409 -8.324 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -4.297 4.033 -7.933 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -1.770 0.753 -6.835 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -5.824 3.467 -6.081 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -3.420 0.052 -5.134 1.00 0.00 H new ATOM 0 HH TYR A 119 -5.413 0.508 -4.099 1.00 0.00 H new ATOM 1841 N GLU A 120 -2.383 6.257 -7.115 1.00 0.00 N ATOM 1842 CA GLU A 120 -2.553 6.887 -5.809 1.00 0.00 C ATOM 1843 C GLU A 120 -3.867 6.469 -5.205 1.00 0.00 C ATOM 1844 O GLU A 120 -4.699 5.941 -5.927 1.00 0.00 O ATOM 1845 CB GLU A 120 -2.367 8.429 -5.869 1.00 0.00 C ATOM 1846 CG GLU A 120 -3.539 9.160 -6.567 1.00 0.00 C ATOM 1847 CD GLU A 120 -3.307 10.649 -6.550 1.00 0.00 C ATOM 1848 OE1 GLU A 120 -2.627 11.157 -7.483 1.00 0.00 O ATOM 1849 OE2 GLU A 120 -3.801 11.323 -5.605 1.00 0.00 O ATOM 0 H GLU A 120 -2.740 6.797 -7.903 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.761 6.535 -5.148 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.259 8.815 -4.855 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.441 8.656 -6.396 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -3.634 8.811 -7.595 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -4.476 8.925 -6.063 1.00 0.00 H new ATOM 1856 N ARG A 121 -4.061 6.684 -3.882 1.00 0.00 N ATOM 1857 CA ARG A 121 -5.263 6.162 -3.237 1.00 0.00 C ATOM 1858 C ARG A 121 -5.495 6.872 -1.936 1.00 0.00 C ATOM 1859 O ARG A 121 -4.581 7.552 -1.504 1.00 0.00 O ATOM 1860 CB ARG A 121 -5.153 4.632 -3.005 1.00 0.00 C ATOM 1861 CG ARG A 121 -4.007 4.274 -2.021 1.00 0.00 C ATOM 1862 CD ARG A 121 -3.747 2.742 -1.947 1.00 0.00 C ATOM 1863 NE ARG A 121 -4.860 1.992 -1.357 1.00 0.00 N ATOM 1864 CZ ARG A 121 -4.870 0.680 -1.234 1.00 0.00 C ATOM 1865 NH1 ARG A 121 -3.880 -0.083 -1.640 1.00 0.00 N ATOM 1866 NH2 ARG A 121 -5.914 0.105 -0.681 1.00 0.00 N ATOM 0 H ARG A 121 -3.423 7.195 -3.272 1.00 0.00 H new ATOM 0 HA ARG A 121 -6.112 6.341 -3.897 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -6.098 4.256 -2.613 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.982 4.132 -3.958 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -3.093 4.780 -2.332 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -4.255 4.646 -1.027 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -3.556 2.364 -2.951 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.846 2.561 -1.361 1.00 0.00 H new ATOM 0 HE ARG A 121 -5.670 2.514 -1.024 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -3.057 0.337 -2.072 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -3.935 -1.095 -1.523 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -6.697 0.673 -0.356 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -5.942 -0.909 -0.576 1.00 0.00 H new ATOM 1880 N VAL A 122 -6.696 6.742 -1.331 1.00 0.00 N ATOM 1881 CA VAL A 122 -7.037 7.569 -0.181 1.00 0.00 C ATOM 1882 C VAL A 122 -7.694 6.672 0.838 1.00 0.00 C ATOM 1883 O VAL A 122 -8.911 6.626 0.900 1.00 0.00 O ATOM 1884 CB VAL A 122 -7.971 8.700 -0.708 1.00 0.00 C ATOM 1885 CG1 VAL A 122 -8.350 9.684 0.431 1.00 0.00 C ATOM 1886 CG2 VAL A 122 -7.306 9.476 -1.881 1.00 0.00 C ATOM 0 H VAL A 122 -7.421 6.086 -1.620 1.00 0.00 H new ATOM 0 HA VAL A 122 -6.179 8.037 0.303 1.00 0.00 H new ATOM 0 HB VAL A 122 -8.881 8.227 -1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -9.002 10.463 0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -8.869 9.143 1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -7.445 10.138 0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -7.981 10.259 -2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -6.374 9.926 -1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -7.097 8.788 -2.700 1.00 0.00 H new ATOM 1896 N SER A 123 -6.907 5.934 1.652 1.00 0.00 N ATOM 1897 CA SER A 123 -7.528 5.077 2.652 1.00 0.00 C ATOM 1898 C SER A 123 -7.913 5.991 3.801 1.00 0.00 C ATOM 1899 O SER A 123 -7.060 6.310 4.612 1.00 0.00 O ATOM 1900 CB SER A 123 -6.572 3.943 3.099 1.00 0.00 C ATOM 1901 OG SER A 123 -6.248 3.057 2.014 1.00 0.00 O ATOM 0 H SER A 123 -5.887 5.920 1.631 1.00 0.00 H new ATOM 0 HA SER A 123 -8.405 4.568 2.254 1.00 0.00 H new ATOM 0 HB2 SER A 123 -5.656 4.377 3.499 1.00 0.00 H new ATOM 0 HB3 SER A 123 -7.035 3.375 3.906 1.00 0.00 H new ATOM 0 HG SER A 123 -5.642 2.356 2.334 1.00 0.00 H new ATOM 1907 N LYS A 124 -9.187 6.440 3.887 1.00 0.00 N ATOM 1908 CA LYS A 124 -9.613 7.351 4.964 1.00 0.00 C ATOM 1909 C LYS A 124 -9.445 6.676 6.310 1.00 0.00 C ATOM 1910 O LYS A 124 -9.181 5.488 6.305 1.00 0.00 O ATOM 1911 CB LYS A 124 -11.114 7.738 4.781 1.00 0.00 C ATOM 1912 CG LYS A 124 -11.345 8.897 3.776 1.00 0.00 C ATOM 1913 CD LYS A 124 -11.355 10.276 4.496 1.00 0.00 C ATOM 1914 CE LYS A 124 -11.558 11.444 3.497 1.00 0.00 C ATOM 1915 NZ LYS A 124 -11.890 12.710 4.193 1.00 0.00 N ATOM 0 H LYS A 124 -9.926 6.188 3.231 1.00 0.00 H new ATOM 0 HA LYS A 124 -8.995 8.248 4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.667 6.861 4.443 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -11.527 8.022 5.749 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -10.562 8.886 3.018 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -12.292 8.748 3.257 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -12.151 10.292 5.241 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -10.415 10.414 5.031 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -10.651 11.580 2.907 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -12.357 11.192 2.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -12.018 13.468 3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -12.769 12.588 4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -11.116 12.964 4.840 1.00 0.00 H new ATOM 1929 N ARG A 125 -9.592 7.397 7.453 1.00 0.00 N ATOM 1930 CA ARG A 125 -9.279 6.841 8.778 1.00 0.00 C ATOM 1931 C ARG A 125 -10.574 6.552 9.508 1.00 0.00 C ATOM 1932 O ARG A 125 -11.021 7.373 10.292 1.00 0.00 O ATOM 1933 CB ARG A 125 -8.360 7.816 9.566 1.00 0.00 C ATOM 1934 CG ARG A 125 -7.623 7.195 10.791 1.00 0.00 C ATOM 1935 CD ARG A 125 -8.551 6.689 11.929 1.00 0.00 C ATOM 1936 NE ARG A 125 -7.778 6.209 13.077 1.00 0.00 N ATOM 1937 CZ ARG A 125 -8.322 5.656 14.141 1.00 0.00 C ATOM 1938 NH1 ARG A 125 -9.619 5.500 14.279 1.00 0.00 N ATOM 1939 NH2 ARG A 125 -7.537 5.241 15.110 1.00 0.00 N ATOM 0 H ARG A 125 -9.925 8.361 7.474 1.00 0.00 H new ATOM 0 HA ARG A 125 -8.731 5.904 8.677 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -7.614 8.220 8.881 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -8.962 8.656 9.913 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -7.012 6.362 10.444 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -6.942 7.940 11.202 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -9.213 7.495 12.246 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -9.184 5.885 11.553 1.00 0.00 H new ATOM 0 HE ARG A 125 -6.763 6.309 13.051 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -10.252 5.813 13.543 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -9.994 5.066 15.122 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -6.526 5.350 15.029 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -7.939 4.810 15.943 1.00 0.00 H new ATOM 1953 N LEU A 126 -11.178 5.371 9.246 1.00 0.00 N ATOM 1954 CA LEU A 126 -12.476 5.004 9.809 1.00 0.00 C ATOM 1955 C LEU A 126 -12.716 3.544 9.475 1.00 0.00 C ATOM 1956 O LEU A 126 -11.740 2.860 9.209 1.00 0.00 O ATOM 1957 CB LEU A 126 -13.573 5.965 9.263 1.00 0.00 C ATOM 1958 CG LEU A 126 -14.005 5.707 7.787 1.00 0.00 C ATOM 1959 CD1 LEU A 126 -14.813 6.926 7.276 1.00 0.00 C ATOM 1960 CD2 LEU A 126 -12.793 5.456 6.860 1.00 0.00 C ATOM 0 H LEU A 126 -10.774 4.656 8.641 1.00 0.00 H new ATOM 0 HA LEU A 126 -12.505 5.111 10.893 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -14.453 5.887 9.902 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -13.210 6.989 9.345 1.00 0.00 H new ATOM 0 HG LEU A 126 -14.619 4.807 7.767 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -15.119 6.753 6.244 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -15.697 7.063 7.898 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -14.192 7.821 7.325 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -13.143 5.281 5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -12.138 6.327 6.874 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -12.243 4.582 7.209 1.00 0.00 H new ATOM 1972 N ALA A 127 -13.969 3.043 9.450 1.00 0.00 N ATOM 1973 CA ALA A 127 -14.203 1.658 9.041 1.00 0.00 C ATOM 1974 C ALA A 127 -15.650 1.441 8.684 1.00 0.00 C ATOM 1975 O ALA A 127 -16.446 2.364 8.723 1.00 0.00 O ATOM 1976 CB ALA A 127 -13.795 0.685 10.172 1.00 0.00 C ATOM 0 H ALA A 127 -14.808 3.566 9.702 1.00 0.00 H new ATOM 0 HA ALA A 127 -13.592 1.460 8.160 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -13.975 -0.341 9.852 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -12.737 0.814 10.399 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -14.385 0.896 11.064 1.00 0.00 H new TER 1982 ALA A 127