USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 586 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 44 GLN : amide:sc= -0.774 K(o=-1.5,f=0.27!) USER MOD Set 1.2: A 56 LYS NZ :NH3+ -119:sc= -0.723 (180deg=0) USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 14 SER OG : rot 180:sc= -0.419 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 39:sc= 0.445 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc=-0.00973 X(o=-0.0097,f=0) USER MOD Single : A 16 TYR OH : rot 102:sc= 1.11 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.936 K(o=-0.94,f=-7.9!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -9.93! C(o=-9.9!,f=-8.2!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.0883 K(o=-0.088,f=-7.1!) USER MOD Single : A 39 THR OG1 : rot -14:sc= 0.886 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0737 X(o=-0.074,f=-0.082) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HE2:sc= -4.71! C(o=-4.7!,f=-11!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.043 18.646 4.386 1.00 0.00 N ATOM 2 CA GLY A 1 8.662 18.319 4.695 1.00 0.00 C ATOM 3 C GLY A 1 8.494 16.817 4.935 1.00 0.00 C ATOM 4 O GLY A 1 8.283 16.054 3.993 1.00 0.00 O ATOM 0 H1 GLY A 1 10.130 19.670 4.228 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.652 18.365 5.181 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.337 18.137 3.528 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.343 18.870 5.580 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.018 18.634 3.874 1.00 0.00 H new ATOM 8 N SER A 2 8.593 16.438 6.200 1.00 0.00 N ATOM 9 CA SER A 2 8.455 15.041 6.576 1.00 0.00 C ATOM 10 C SER A 2 7.852 14.934 7.978 1.00 0.00 C ATOM 11 O SER A 2 8.515 15.242 8.968 1.00 0.00 O ATOM 12 CB SER A 2 9.803 14.320 6.521 1.00 0.00 C ATOM 13 OG SER A 2 10.788 14.967 7.322 1.00 0.00 O ATOM 0 H SER A 2 8.767 17.074 6.978 1.00 0.00 H new ATOM 0 HA SER A 2 7.787 14.559 5.862 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.678 13.292 6.860 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.148 14.275 5.488 1.00 0.00 H new ATOM 0 HG SER A 2 10.376 15.288 8.151 1.00 0.00 H new ATOM 19 N SER A 3 6.603 14.495 8.019 1.00 0.00 N ATOM 20 CA SER A 3 5.904 14.343 9.283 1.00 0.00 C ATOM 21 C SER A 3 4.570 13.627 9.061 1.00 0.00 C ATOM 22 O SER A 3 4.332 12.560 9.625 1.00 0.00 O ATOM 23 CB SER A 3 5.673 15.700 9.952 1.00 0.00 C ATOM 24 OG SER A 3 4.635 15.645 10.926 1.00 0.00 O ATOM 0 H SER A 3 6.057 14.240 7.196 1.00 0.00 H new ATOM 0 HA SER A 3 6.526 13.742 9.947 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.597 16.033 10.425 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.419 16.440 9.193 1.00 0.00 H new ATOM 0 HG SER A 3 4.519 16.530 11.331 1.00 0.00 H new ATOM 30 N GLY A 4 3.734 14.244 8.238 1.00 0.00 N ATOM 31 CA GLY A 4 2.430 13.679 7.935 1.00 0.00 C ATOM 32 C GLY A 4 2.124 13.778 6.439 1.00 0.00 C ATOM 33 O GLY A 4 2.459 12.876 5.672 1.00 0.00 O ATOM 0 H GLY A 4 3.934 15.129 7.772 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.400 12.635 8.248 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.661 14.204 8.503 1.00 0.00 H new ATOM 37 N SER A 5 1.492 14.882 6.069 1.00 0.00 N ATOM 38 CA SER A 5 1.137 15.111 4.678 1.00 0.00 C ATOM 39 C SER A 5 0.012 14.162 4.262 1.00 0.00 C ATOM 40 O SER A 5 -1.101 14.601 3.977 1.00 0.00 O ATOM 41 CB SER A 5 2.350 14.929 3.764 1.00 0.00 C ATOM 42 OG SER A 5 2.641 16.111 3.022 1.00 0.00 O ATOM 0 H SER A 5 1.216 15.628 6.708 1.00 0.00 H new ATOM 0 HA SER A 5 0.791 16.140 4.578 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.218 14.654 4.364 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.165 14.105 3.075 1.00 0.00 H new ATOM 0 HG SER A 5 3.423 15.955 2.452 1.00 0.00 H new ATOM 48 N SER A 6 0.340 12.879 4.242 1.00 0.00 N ATOM 49 CA SER A 6 -0.630 11.864 3.865 1.00 0.00 C ATOM 50 C SER A 6 -0.050 10.470 4.111 1.00 0.00 C ATOM 51 O SER A 6 1.159 10.268 4.003 1.00 0.00 O ATOM 52 CB SER A 6 -1.046 12.016 2.401 1.00 0.00 C ATOM 53 OG SER A 6 0.003 11.652 1.508 1.00 0.00 O ATOM 0 H SER A 6 1.264 12.518 4.481 1.00 0.00 H new ATOM 0 HA SER A 6 -1.519 11.995 4.482 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.920 11.395 2.206 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.340 13.049 2.213 1.00 0.00 H new ATOM 0 HG SER A 6 -0.302 11.761 0.583 1.00 0.00 H new ATOM 59 N GLY A 7 -0.939 9.543 4.435 1.00 0.00 N ATOM 60 CA GLY A 7 -0.531 8.173 4.697 1.00 0.00 C ATOM 61 C GLY A 7 0.275 7.608 3.525 1.00 0.00 C ATOM 62 O GLY A 7 0.267 8.173 2.432 1.00 0.00 O ATOM 0 H GLY A 7 -1.941 9.714 4.522 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.068 8.136 5.607 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.411 7.554 4.870 1.00 0.00 H new ATOM 66 N GLU A 8 0.951 6.500 3.792 1.00 0.00 N ATOM 67 CA GLU A 8 1.760 5.853 2.774 1.00 0.00 C ATOM 68 C GLU A 8 0.863 5.176 1.735 1.00 0.00 C ATOM 69 O GLU A 8 0.091 4.278 2.066 1.00 0.00 O ATOM 70 CB GLU A 8 2.728 4.847 3.400 1.00 0.00 C ATOM 71 CG GLU A 8 4.172 5.346 3.307 1.00 0.00 C ATOM 72 CD GLU A 8 5.146 4.177 3.146 1.00 0.00 C ATOM 73 OE1 GLU A 8 4.911 3.146 3.812 1.00 0.00 O ATOM 74 OE2 GLU A 8 6.104 4.341 2.360 1.00 0.00 O ATOM 0 H GLU A 8 0.955 6.034 4.699 1.00 0.00 H new ATOM 0 HA GLU A 8 2.355 6.616 2.271 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.463 4.683 4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.638 3.886 2.893 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.272 6.026 2.461 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.423 5.913 4.204 1.00 0.00 H new ATOM 81 N ILE A 9 0.995 5.634 0.498 1.00 0.00 N ATOM 82 CA ILE A 9 0.207 5.084 -0.591 1.00 0.00 C ATOM 83 C ILE A 9 0.994 3.961 -1.269 1.00 0.00 C ATOM 84 O ILE A 9 2.224 3.985 -1.289 1.00 0.00 O ATOM 85 CB ILE A 9 -0.230 6.194 -1.550 1.00 0.00 C ATOM 86 CG1 ILE A 9 -1.312 7.071 -0.917 1.00 0.00 C ATOM 87 CG2 ILE A 9 -0.675 5.614 -2.894 1.00 0.00 C ATOM 88 CD1 ILE A 9 -2.630 6.305 -0.785 1.00 0.00 C ATOM 0 H ILE A 9 1.636 6.380 0.227 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.714 4.643 -0.209 1.00 0.00 H new ATOM 0 HB ILE A 9 0.630 6.835 -1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.983 7.408 0.066 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.465 7.963 -1.525 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.980 6.424 -3.557 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.153 5.067 -3.346 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.515 4.937 -2.738 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.382 6.951 -0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.968 5.990 -1.772 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.479 5.427 -0.156 1.00 0.00 H new ATOM 100 N ALA A 10 0.253 3.003 -1.807 1.00 0.00 N ATOM 101 CA ALA A 10 0.867 1.873 -2.483 1.00 0.00 C ATOM 102 C ALA A 10 0.134 1.613 -3.801 1.00 0.00 C ATOM 103 O ALA A 10 -1.094 1.673 -3.854 1.00 0.00 O ATOM 104 CB ALA A 10 0.852 0.655 -1.558 1.00 0.00 C ATOM 0 H ALA A 10 -0.767 2.986 -1.788 1.00 0.00 H new ATOM 0 HA ALA A 10 1.909 2.088 -2.722 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.313 -0.193 -2.065 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.410 0.881 -0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.177 0.407 -1.299 1.00 0.00 H new ATOM 110 N GLN A 11 0.917 1.331 -4.831 1.00 0.00 N ATOM 111 CA GLN A 11 0.358 1.062 -6.145 1.00 0.00 C ATOM 112 C GLN A 11 0.300 -0.446 -6.399 1.00 0.00 C ATOM 113 O GLN A 11 1.335 -1.102 -6.498 1.00 0.00 O ATOM 114 CB GLN A 11 1.159 1.772 -7.238 1.00 0.00 C ATOM 115 CG GLN A 11 0.817 1.211 -8.620 1.00 0.00 C ATOM 116 CD GLN A 11 1.223 2.190 -9.724 1.00 0.00 C ATOM 117 OE1 GLN A 11 2.370 2.587 -9.847 1.00 0.00 O ATOM 118 NE2 GLN A 11 0.221 2.555 -10.518 1.00 0.00 N ATOM 0 H GLN A 11 1.935 1.283 -4.783 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.658 1.455 -6.173 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.947 2.841 -7.213 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.226 1.654 -7.047 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.328 0.259 -8.767 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.253 1.011 -8.681 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.716 2.185 -10.360 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.389 3.205 -11.286 1.00 0.00 H new ATOM 127 N VAL A 12 -0.922 -0.951 -6.496 1.00 0.00 N ATOM 128 CA VAL A 12 -1.128 -2.369 -6.737 1.00 0.00 C ATOM 129 C VAL A 12 -0.362 -2.785 -7.994 1.00 0.00 C ATOM 130 O VAL A 12 -0.409 -2.095 -9.011 1.00 0.00 O ATOM 131 CB VAL A 12 -2.625 -2.672 -6.820 1.00 0.00 C ATOM 132 CG1 VAL A 12 -2.868 -4.141 -7.175 1.00 0.00 C ATOM 133 CG2 VAL A 12 -3.334 -2.299 -5.517 1.00 0.00 C ATOM 0 H VAL A 12 -1.779 -0.404 -6.412 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.736 -2.959 -5.909 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.046 -2.060 -7.617 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.940 -4.330 -7.228 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.413 -4.362 -8.140 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.424 -4.778 -6.410 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.397 -2.525 -5.604 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.907 -2.872 -4.694 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.204 -1.234 -5.324 1.00 0.00 H new ATOM 143 N THR A 13 0.325 -3.913 -7.883 1.00 0.00 N ATOM 144 CA THR A 13 1.099 -4.430 -8.998 1.00 0.00 C ATOM 145 C THR A 13 0.582 -5.808 -9.414 1.00 0.00 C ATOM 146 O THR A 13 1.009 -6.355 -10.429 1.00 0.00 O ATOM 147 CB THR A 13 2.574 -4.432 -8.589 1.00 0.00 C ATOM 148 OG1 THR A 13 2.608 -5.245 -7.419 1.00 0.00 O ATOM 149 CG2 THR A 13 3.049 -3.061 -8.105 1.00 0.00 C ATOM 0 H THR A 13 0.361 -4.483 -7.038 1.00 0.00 H new ATOM 0 HA THR A 13 0.992 -3.798 -9.880 1.00 0.00 H new ATOM 0 HB THR A 13 3.185 -4.750 -9.434 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.528 -5.302 -7.087 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.102 -3.118 -7.827 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.923 -2.330 -8.903 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.461 -2.757 -7.239 1.00 0.00 H new ATOM 157 N SER A 14 -0.331 -6.330 -8.607 1.00 0.00 N ATOM 158 CA SER A 14 -0.911 -7.634 -8.879 1.00 0.00 C ATOM 159 C SER A 14 -2.261 -7.764 -8.170 1.00 0.00 C ATOM 160 O SER A 14 -2.366 -7.501 -6.973 1.00 0.00 O ATOM 161 CB SER A 14 0.029 -8.758 -8.439 1.00 0.00 C ATOM 162 OG SER A 14 1.389 -8.333 -8.404 1.00 0.00 O ATOM 0 H SER A 14 -0.683 -5.874 -7.765 1.00 0.00 H new ATOM 0 HA SER A 14 -1.062 -7.723 -9.955 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.266 -9.112 -7.451 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.070 -9.602 -9.122 1.00 0.00 H new ATOM 0 HG SER A 14 1.957 -9.078 -8.117 1.00 0.00 H new ATOM 168 N ALA A 15 -3.261 -8.168 -8.940 1.00 0.00 N ATOM 169 CA ALA A 15 -4.600 -8.336 -8.401 1.00 0.00 C ATOM 170 C ALA A 15 -4.578 -9.419 -7.321 1.00 0.00 C ATOM 171 O ALA A 15 -3.802 -10.370 -7.405 1.00 0.00 O ATOM 172 CB ALA A 15 -5.570 -8.665 -9.537 1.00 0.00 C ATOM 0 H ALA A 15 -3.171 -8.384 -9.933 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.945 -7.413 -7.935 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.574 -8.791 -9.133 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.570 -7.851 -10.262 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.258 -9.587 -10.027 1.00 0.00 H new ATOM 178 N TYR A 16 -5.439 -9.240 -6.330 1.00 0.00 N ATOM 179 CA TYR A 16 -5.529 -10.190 -5.234 1.00 0.00 C ATOM 180 C TYR A 16 -6.985 -10.422 -4.827 1.00 0.00 C ATOM 181 O TYR A 16 -7.841 -9.568 -5.055 1.00 0.00 O ATOM 182 CB TYR A 16 -4.779 -9.554 -4.062 1.00 0.00 C ATOM 183 CG TYR A 16 -5.009 -10.256 -2.722 1.00 0.00 C ATOM 184 CD1 TYR A 16 -4.555 -11.545 -2.532 1.00 0.00 C ATOM 185 CD2 TYR A 16 -5.670 -9.599 -1.704 1.00 0.00 C ATOM 186 CE1 TYR A 16 -4.772 -12.206 -1.271 1.00 0.00 C ATOM 187 CE2 TYR A 16 -5.887 -10.260 -0.443 1.00 0.00 C ATOM 188 CZ TYR A 16 -5.427 -11.530 -0.288 1.00 0.00 C ATOM 189 OH TYR A 16 -5.631 -12.154 0.903 1.00 0.00 O ATOM 0 H TYR A 16 -6.081 -8.450 -6.263 1.00 0.00 H new ATOM 0 HA TYR A 16 -5.110 -11.153 -5.526 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.712 -9.556 -4.283 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.084 -8.511 -3.972 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.037 -12.058 -3.329 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.024 -8.590 -1.853 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.423 -13.215 -1.109 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.404 -9.758 0.362 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.979 -11.829 1.558 1.00 0.00 H new ATOM 199 N VAL A 17 -7.223 -11.581 -4.232 1.00 0.00 N ATOM 200 CA VAL A 17 -8.561 -11.936 -3.790 1.00 0.00 C ATOM 201 C VAL A 17 -8.524 -12.298 -2.304 1.00 0.00 C ATOM 202 O VAL A 17 -8.129 -13.404 -1.940 1.00 0.00 O ATOM 203 CB VAL A 17 -9.119 -13.060 -4.665 1.00 0.00 C ATOM 204 CG1 VAL A 17 -10.525 -13.460 -4.213 1.00 0.00 C ATOM 205 CG2 VAL A 17 -9.111 -12.660 -6.142 1.00 0.00 C ATOM 0 H VAL A 17 -6.511 -12.287 -4.045 1.00 0.00 H new ATOM 0 HA VAL A 17 -9.237 -11.088 -3.901 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.470 -13.928 -4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.898 -14.261 -4.851 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.490 -13.806 -3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.189 -12.599 -4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.513 -13.476 -6.742 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -9.726 -11.771 -6.281 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.089 -12.447 -6.456 1.00 0.00 H new ATOM 215 N ALA A 18 -8.941 -11.343 -1.485 1.00 0.00 N ATOM 216 CA ALA A 18 -8.961 -11.547 -0.047 1.00 0.00 C ATOM 217 C ALA A 18 -9.607 -12.899 0.263 1.00 0.00 C ATOM 218 O ALA A 18 -10.368 -13.427 -0.545 1.00 0.00 O ATOM 219 CB ALA A 18 -9.693 -10.383 0.624 1.00 0.00 C ATOM 0 H ALA A 18 -9.268 -10.426 -1.790 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.947 -11.567 0.352 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.708 -10.536 1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -9.178 -9.450 0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -10.716 -10.333 0.250 1.00 0.00 H new ATOM 225 N SER A 19 -9.279 -13.420 1.437 1.00 0.00 N ATOM 226 CA SER A 19 -9.818 -14.700 1.864 1.00 0.00 C ATOM 227 C SER A 19 -10.833 -14.491 2.989 1.00 0.00 C ATOM 228 O SER A 19 -11.983 -14.914 2.879 1.00 0.00 O ATOM 229 CB SER A 19 -8.703 -15.642 2.323 1.00 0.00 C ATOM 230 OG SER A 19 -7.654 -15.735 1.363 1.00 0.00 O ATOM 0 H SER A 19 -8.647 -12.979 2.105 1.00 0.00 H new ATOM 0 HA SER A 19 -10.319 -15.161 1.013 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.297 -15.288 3.271 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.118 -16.634 2.504 1.00 0.00 H new ATOM 0 HG SER A 19 -6.961 -16.344 1.694 1.00 0.00 H new ATOM 236 N GLY A 20 -10.372 -13.839 4.046 1.00 0.00 N ATOM 237 CA GLY A 20 -11.225 -13.569 5.190 1.00 0.00 C ATOM 238 C GLY A 20 -11.956 -12.235 5.026 1.00 0.00 C ATOM 239 O GLY A 20 -12.072 -11.719 3.916 1.00 0.00 O ATOM 0 H GLY A 20 -9.418 -13.490 4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.951 -14.374 5.305 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.624 -13.549 6.099 1.00 0.00 H new ATOM 243 N SER A 21 -12.430 -11.714 6.149 1.00 0.00 N ATOM 244 CA SER A 21 -13.147 -10.450 6.144 1.00 0.00 C ATOM 245 C SER A 21 -12.174 -9.296 6.392 1.00 0.00 C ATOM 246 O SER A 21 -12.333 -8.213 5.830 1.00 0.00 O ATOM 247 CB SER A 21 -14.258 -10.443 7.195 1.00 0.00 C ATOM 248 OG SER A 21 -15.540 -10.679 6.618 1.00 0.00 O ATOM 0 H SER A 21 -12.331 -12.145 7.068 1.00 0.00 H new ATOM 0 HA SER A 21 -13.610 -10.323 5.165 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.052 -11.206 7.945 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.264 -9.483 7.710 1.00 0.00 H new ATOM 0 HG SER A 21 -16.222 -10.669 7.321 1.00 0.00 H new ATOM 254 N GLU A 22 -11.187 -9.567 7.234 1.00 0.00 N ATOM 255 CA GLU A 22 -10.188 -8.564 7.564 1.00 0.00 C ATOM 256 C GLU A 22 -9.314 -8.266 6.344 1.00 0.00 C ATOM 257 O GLU A 22 -8.808 -7.154 6.196 1.00 0.00 O ATOM 258 CB GLU A 22 -9.337 -9.009 8.754 1.00 0.00 C ATOM 259 CG GLU A 22 -8.722 -10.388 8.503 1.00 0.00 C ATOM 260 CD GLU A 22 -8.957 -11.318 9.696 1.00 0.00 C ATOM 261 OE1 GLU A 22 -8.619 -10.893 10.822 1.00 0.00 O ATOM 262 OE2 GLU A 22 -9.469 -12.432 9.454 1.00 0.00 O ATOM 0 H GLU A 22 -11.058 -10.466 7.697 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.702 -7.647 7.851 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.546 -8.281 8.932 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.951 -9.039 9.654 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.157 -10.826 7.605 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.652 -10.286 8.322 1.00 0.00 H new ATOM 269 N GLN A 23 -9.162 -9.278 5.503 1.00 0.00 N ATOM 270 CA GLN A 23 -8.357 -9.138 4.301 1.00 0.00 C ATOM 271 C GLN A 23 -8.972 -8.092 3.369 1.00 0.00 C ATOM 272 O GLN A 23 -10.160 -7.791 3.467 1.00 0.00 O ATOM 273 CB GLN A 23 -8.198 -10.482 3.588 1.00 0.00 C ATOM 274 CG GLN A 23 -7.029 -11.278 4.173 1.00 0.00 C ATOM 275 CD GLN A 23 -7.529 -12.361 5.132 1.00 0.00 C ATOM 276 OE1 GLN A 23 -8.595 -12.264 5.717 1.00 0.00 O ATOM 277 NE2 GLN A 23 -6.701 -13.394 5.260 1.00 0.00 N ATOM 0 H GLN A 23 -9.583 -10.199 5.630 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.363 -8.798 4.591 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.118 -11.059 3.682 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.033 -10.316 2.523 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.457 -11.737 3.367 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.353 -10.604 4.700 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.823 -13.412 4.740 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -6.944 -14.169 5.878 1.00 0.00 H new ATOM 286 N LEU A 24 -8.134 -7.568 2.486 1.00 0.00 N ATOM 287 CA LEU A 24 -8.581 -6.562 1.537 1.00 0.00 C ATOM 288 C LEU A 24 -8.157 -6.974 0.126 1.00 0.00 C ATOM 289 O LEU A 24 -6.996 -7.309 -0.104 1.00 0.00 O ATOM 290 CB LEU A 24 -8.080 -5.176 1.950 1.00 0.00 C ATOM 291 CG LEU A 24 -8.214 -4.074 0.897 1.00 0.00 C ATOM 292 CD1 LEU A 24 -9.664 -3.934 0.431 1.00 0.00 C ATOM 293 CD2 LEU A 24 -7.647 -2.750 1.414 1.00 0.00 C ATOM 0 H LEU A 24 -7.149 -7.821 2.408 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.669 -6.495 1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.623 -4.866 2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.030 -5.259 2.229 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.623 -4.359 0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.731 -3.144 -0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.999 -4.876 -0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.297 -3.682 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.755 -1.984 0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.190 -2.446 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.592 -2.876 1.656 1.00 0.00 H new ATOM 305 N SER A 25 -9.121 -6.937 -0.782 1.00 0.00 N ATOM 306 CA SER A 25 -8.862 -7.302 -2.164 1.00 0.00 C ATOM 307 C SER A 25 -8.079 -6.188 -2.862 1.00 0.00 C ATOM 308 O SER A 25 -8.445 -5.018 -2.773 1.00 0.00 O ATOM 309 CB SER A 25 -10.166 -7.584 -2.913 1.00 0.00 C ATOM 310 OG SER A 25 -10.857 -6.384 -3.250 1.00 0.00 O ATOM 0 H SER A 25 -10.083 -6.660 -0.587 1.00 0.00 H new ATOM 0 HA SER A 25 -8.266 -8.215 -2.170 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.948 -8.145 -3.822 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.809 -8.212 -2.297 1.00 0.00 H new ATOM 0 HG SER A 25 -11.683 -6.606 -3.728 1.00 0.00 H new ATOM 316 N LEU A 26 -7.015 -6.593 -3.541 1.00 0.00 N ATOM 317 CA LEU A 26 -6.177 -5.643 -4.254 1.00 0.00 C ATOM 318 C LEU A 26 -6.476 -5.731 -5.752 1.00 0.00 C ATOM 319 O LEU A 26 -6.703 -6.818 -6.281 1.00 0.00 O ATOM 320 CB LEU A 26 -4.704 -5.863 -3.907 1.00 0.00 C ATOM 321 CG LEU A 26 -4.387 -6.070 -2.424 1.00 0.00 C ATOM 322 CD1 LEU A 26 -2.941 -6.528 -2.231 1.00 0.00 C ATOM 323 CD2 LEU A 26 -4.702 -4.810 -1.616 1.00 0.00 C ATOM 0 H LEU A 26 -6.714 -7.565 -3.612 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.405 -4.624 -3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.347 -6.733 -4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.135 -5.004 -4.263 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.029 -6.865 -2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.742 -6.668 -1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.785 -7.470 -2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.264 -5.773 -2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.468 -4.983 -0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.103 -3.979 -1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.760 -4.568 -1.717 1.00 0.00 H new ATOM 335 N ALA A 27 -6.466 -4.571 -6.394 1.00 0.00 N ATOM 336 CA ALA A 27 -6.733 -4.503 -7.820 1.00 0.00 C ATOM 337 C ALA A 27 -5.589 -3.761 -8.514 1.00 0.00 C ATOM 338 O ALA A 27 -5.070 -2.779 -7.984 1.00 0.00 O ATOM 339 CB ALA A 27 -8.089 -3.835 -8.055 1.00 0.00 C ATOM 0 H ALA A 27 -6.277 -3.671 -5.952 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.785 -5.504 -8.249 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.289 -3.784 -9.125 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.871 -4.417 -7.567 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.075 -2.827 -7.640 1.00 0.00 H new ATOM 345 N PRO A 28 -5.220 -4.271 -9.719 1.00 0.00 N ATOM 346 CA PRO A 28 -4.147 -3.666 -10.491 1.00 0.00 C ATOM 347 C PRO A 28 -4.609 -2.363 -11.145 1.00 0.00 C ATOM 348 O PRO A 28 -5.460 -2.377 -12.033 1.00 0.00 O ATOM 349 CB PRO A 28 -3.743 -4.727 -11.502 1.00 0.00 C ATOM 350 CG PRO A 28 -4.906 -5.704 -11.567 1.00 0.00 C ATOM 351 CD PRO A 28 -5.812 -5.431 -10.377 1.00 0.00 C ATOM 0 HA PRO A 28 -3.296 -3.378 -9.874 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.551 -4.283 -12.479 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.826 -5.231 -11.195 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.455 -5.582 -12.501 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.543 -6.732 -11.543 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.834 -5.226 -10.696 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.853 -6.289 -9.706 1.00 0.00 H new ATOM 359 N GLY A 29 -4.027 -1.266 -10.680 1.00 0.00 N ATOM 360 CA GLY A 29 -4.368 0.043 -11.209 1.00 0.00 C ATOM 361 C GLY A 29 -5.169 0.855 -10.189 1.00 0.00 C ATOM 362 O GLY A 29 -5.932 1.746 -10.560 1.00 0.00 O ATOM 0 H GLY A 29 -3.322 -1.258 -9.943 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.457 0.581 -11.473 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.948 -0.071 -12.125 1.00 0.00 H new ATOM 366 N GLN A 30 -4.969 0.517 -8.923 1.00 0.00 N ATOM 367 CA GLN A 30 -5.663 1.203 -7.847 1.00 0.00 C ATOM 368 C GLN A 30 -4.658 1.770 -6.843 1.00 0.00 C ATOM 369 O GLN A 30 -3.449 1.644 -7.032 1.00 0.00 O ATOM 370 CB GLN A 30 -6.661 0.271 -7.156 1.00 0.00 C ATOM 371 CG GLN A 30 -7.908 0.066 -8.018 1.00 0.00 C ATOM 372 CD GLN A 30 -9.092 -0.400 -7.168 1.00 0.00 C ATOM 373 OE1 GLN A 30 -10.162 0.186 -7.174 1.00 0.00 O ATOM 374 NE2 GLN A 30 -8.841 -1.483 -6.439 1.00 0.00 N ATOM 0 H GLN A 30 -4.336 -0.223 -8.619 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.226 2.032 -8.275 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.189 -0.691 -6.959 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.947 0.690 -6.191 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.163 0.998 -8.523 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.701 -0.671 -8.794 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.922 -1.925 -6.481 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.567 -1.872 -5.838 1.00 0.00 H new ATOM 383 N LEU A 31 -5.194 2.384 -5.799 1.00 0.00 N ATOM 384 CA LEU A 31 -4.359 2.971 -4.765 1.00 0.00 C ATOM 385 C LEU A 31 -4.929 2.615 -3.391 1.00 0.00 C ATOM 386 O LEU A 31 -6.145 2.570 -3.212 1.00 0.00 O ATOM 387 CB LEU A 31 -4.201 4.476 -4.995 1.00 0.00 C ATOM 388 CG LEU A 31 -3.559 4.888 -6.321 1.00 0.00 C ATOM 389 CD1 LEU A 31 -3.666 6.399 -6.535 1.00 0.00 C ATOM 390 CD2 LEU A 31 -2.112 4.399 -6.405 1.00 0.00 C ATOM 0 H LEU A 31 -6.197 2.488 -5.647 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.351 2.557 -4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.186 4.938 -4.932 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.603 4.887 -4.181 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.109 4.408 -7.130 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.202 6.666 -7.485 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.716 6.691 -6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.156 6.918 -5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.679 4.705 -7.357 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.534 4.831 -5.588 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.090 3.312 -6.330 1.00 0.00 H new ATOM 402 N ILE A 32 -4.023 2.371 -2.455 1.00 0.00 N ATOM 403 CA ILE A 32 -4.421 2.021 -1.102 1.00 0.00 C ATOM 404 C ILE A 32 -3.554 2.791 -0.104 1.00 0.00 C ATOM 405 O ILE A 32 -2.369 3.014 -0.349 1.00 0.00 O ATOM 406 CB ILE A 32 -4.382 0.504 -0.908 1.00 0.00 C ATOM 407 CG1 ILE A 32 -5.621 -0.159 -1.515 1.00 0.00 C ATOM 408 CG2 ILE A 32 -4.204 0.144 0.568 1.00 0.00 C ATOM 409 CD1 ILE A 32 -5.276 -1.526 -2.108 1.00 0.00 C ATOM 0 H ILE A 32 -3.015 2.409 -2.607 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.454 2.316 -0.921 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.515 0.114 -1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.388 -0.274 -0.749 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.038 0.483 -2.291 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.180 -0.940 0.678 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.269 0.567 0.936 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.036 0.548 1.144 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.174 -1.975 -2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.526 -1.405 -2.890 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.882 -2.173 -1.325 1.00 0.00 H new ATOM 421 N LEU A 33 -4.177 3.176 0.999 1.00 0.00 N ATOM 422 CA LEU A 33 -3.477 3.917 2.035 1.00 0.00 C ATOM 423 C LEU A 33 -3.044 2.952 3.141 1.00 0.00 C ATOM 424 O LEU A 33 -3.884 2.345 3.804 1.00 0.00 O ATOM 425 CB LEU A 33 -4.335 5.080 2.535 1.00 0.00 C ATOM 426 CG LEU A 33 -3.672 6.015 3.549 1.00 0.00 C ATOM 427 CD1 LEU A 33 -2.896 7.128 2.842 1.00 0.00 C ATOM 428 CD2 LEU A 33 -4.701 6.572 4.536 1.00 0.00 C ATOM 0 H LEU A 33 -5.160 2.989 1.199 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.571 4.370 1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.647 5.672 1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.240 4.671 2.985 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.951 5.436 4.127 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.435 7.778 3.585 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.122 6.689 2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.578 7.711 2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.204 7.233 5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.462 7.131 3.991 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.171 5.749 5.075 1.00 0.00 H new ATOM 440 N ILE A 34 -1.734 2.841 3.307 1.00 0.00 N ATOM 441 CA ILE A 34 -1.180 1.961 4.321 1.00 0.00 C ATOM 442 C ILE A 34 -1.488 2.530 5.707 1.00 0.00 C ATOM 443 O ILE A 34 -1.110 3.660 6.017 1.00 0.00 O ATOM 444 CB ILE A 34 0.311 1.727 4.070 1.00 0.00 C ATOM 445 CG1 ILE A 34 0.557 1.242 2.640 1.00 0.00 C ATOM 446 CG2 ILE A 34 0.898 0.769 5.108 1.00 0.00 C ATOM 447 CD1 ILE A 34 -0.063 -0.139 2.415 1.00 0.00 C ATOM 0 H ILE A 34 -1.040 3.346 2.756 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.647 0.978 4.269 1.00 0.00 H new ATOM 0 HB ILE A 34 0.829 2.680 4.181 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.133 1.955 1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.629 1.199 2.446 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.959 0.620 4.907 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.774 1.192 6.105 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.380 -0.189 5.053 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.126 -0.460 1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.381 -0.854 3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.138 -0.087 2.586 1.00 0.00 H new ATOM 459 N LEU A 35 -2.170 1.722 6.505 1.00 0.00 N ATOM 460 CA LEU A 35 -2.533 2.131 7.851 1.00 0.00 C ATOM 461 C LEU A 35 -1.702 1.339 8.862 1.00 0.00 C ATOM 462 O LEU A 35 -1.321 1.865 9.907 1.00 0.00 O ATOM 463 CB LEU A 35 -4.043 2.003 8.062 1.00 0.00 C ATOM 464 CG LEU A 35 -4.921 2.370 6.863 1.00 0.00 C ATOM 465 CD1 LEU A 35 -6.024 1.331 6.653 1.00 0.00 C ATOM 466 CD2 LEU A 35 -5.486 3.784 7.010 1.00 0.00 C ATOM 0 H LEU A 35 -2.481 0.786 6.245 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.302 3.185 8.003 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.264 0.975 8.348 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.327 2.636 8.903 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.298 2.364 5.969 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.633 1.616 5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.574 0.355 6.471 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.651 1.281 7.543 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.106 4.020 6.145 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.089 3.842 7.916 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.666 4.499 7.074 1.00 0.00 H new ATOM 478 N LYS A 36 -1.445 0.086 8.516 1.00 0.00 N ATOM 479 CA LYS A 36 -0.666 -0.785 9.380 1.00 0.00 C ATOM 480 C LYS A 36 0.155 -1.748 8.520 1.00 0.00 C ATOM 481 O LYS A 36 -0.272 -2.133 7.433 1.00 0.00 O ATOM 482 CB LYS A 36 -1.574 -1.486 10.393 1.00 0.00 C ATOM 483 CG LYS A 36 -0.871 -1.641 11.743 1.00 0.00 C ATOM 484 CD LYS A 36 -1.882 -1.630 12.891 1.00 0.00 C ATOM 485 CE LYS A 36 -2.288 -3.053 13.279 1.00 0.00 C ATOM 486 NZ LYS A 36 -2.042 -3.288 14.720 1.00 0.00 N ATOM 0 H LYS A 36 -1.763 -0.347 7.649 1.00 0.00 H new ATOM 0 HA LYS A 36 0.041 -0.203 9.970 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.493 -0.913 10.521 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.860 -2.467 10.013 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.307 -2.574 11.759 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.153 -0.832 11.878 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.451 -1.123 13.754 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.766 -1.064 12.597 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.343 -3.211 13.054 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.724 -3.773 12.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.323 -4.259 14.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.031 -3.158 14.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.599 -2.613 15.282 1.00 0.00 H new ATOM 500 N LYS A 37 1.319 -2.109 9.039 1.00 0.00 N ATOM 501 CA LYS A 37 2.204 -3.019 8.332 1.00 0.00 C ATOM 502 C LYS A 37 2.629 -4.146 9.276 1.00 0.00 C ATOM 503 O LYS A 37 3.121 -3.888 10.374 1.00 0.00 O ATOM 504 CB LYS A 37 3.379 -2.255 7.718 1.00 0.00 C ATOM 505 CG LYS A 37 2.893 -1.251 6.671 1.00 0.00 C ATOM 506 CD LYS A 37 4.021 -0.873 5.709 1.00 0.00 C ATOM 507 CE LYS A 37 4.262 0.638 5.713 1.00 0.00 C ATOM 508 NZ LYS A 37 5.175 1.013 6.816 1.00 0.00 N ATOM 0 H LYS A 37 1.670 -1.788 9.941 1.00 0.00 H new ATOM 0 HA LYS A 37 1.683 -3.483 7.494 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.927 -1.732 8.502 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.074 -2.958 7.258 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.061 -1.678 6.111 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.518 -0.356 7.167 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.936 -1.392 5.994 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.769 -1.202 4.701 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.689 0.947 4.759 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.313 1.163 5.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.329 2.042 6.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.753 0.735 7.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.086 0.526 6.694 1.00 0.00 H new ATOM 522 N ASN A 38 2.423 -5.370 8.814 1.00 0.00 N ATOM 523 CA ASN A 38 2.779 -6.537 9.604 1.00 0.00 C ATOM 524 C ASN A 38 4.229 -6.925 9.308 1.00 0.00 C ATOM 525 O ASN A 38 4.836 -6.406 8.372 1.00 0.00 O ATOM 526 CB ASN A 38 1.889 -7.732 9.253 1.00 0.00 C ATOM 527 CG ASN A 38 2.033 -8.846 10.291 1.00 0.00 C ATOM 528 OD1 ASN A 38 2.691 -8.701 11.308 1.00 0.00 O ATOM 529 ND2 ASN A 38 1.383 -9.963 9.979 1.00 0.00 N ATOM 0 H ASN A 38 2.014 -5.580 7.903 1.00 0.00 H new ATOM 0 HA ASN A 38 2.647 -6.285 10.656 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.848 -7.412 9.200 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.156 -8.112 8.267 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.417 -10.765 10.608 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.850 -10.018 9.111 1.00 0.00 H new ATOM 536 N THR A 39 4.743 -7.834 10.123 1.00 0.00 N ATOM 537 CA THR A 39 6.111 -8.298 9.960 1.00 0.00 C ATOM 538 C THR A 39 6.141 -9.597 9.153 1.00 0.00 C ATOM 539 O THR A 39 7.159 -10.286 9.118 1.00 0.00 O ATOM 540 CB THR A 39 6.733 -8.432 11.352 1.00 0.00 C ATOM 541 OG1 THR A 39 8.014 -9.005 11.105 1.00 0.00 O ATOM 542 CG2 THR A 39 6.018 -9.474 12.215 1.00 0.00 C ATOM 0 H THR A 39 4.237 -8.262 10.898 1.00 0.00 H new ATOM 0 HA THR A 39 6.706 -7.585 9.389 1.00 0.00 H new ATOM 0 HB THR A 39 6.708 -7.466 11.856 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.046 -9.353 10.189 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.499 -9.529 13.192 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.974 -9.188 12.340 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.072 -10.448 11.729 1.00 0.00 H new ATOM 550 N SER A 40 5.013 -9.892 8.524 1.00 0.00 N ATOM 551 CA SER A 40 4.897 -11.096 7.720 1.00 0.00 C ATOM 552 C SER A 40 4.797 -10.728 6.238 1.00 0.00 C ATOM 553 O SER A 40 5.296 -11.455 5.379 1.00 0.00 O ATOM 554 CB SER A 40 3.685 -11.928 8.143 1.00 0.00 C ATOM 555 OG SER A 40 4.030 -13.288 8.391 1.00 0.00 O ATOM 0 H SER A 40 4.171 -9.317 8.555 1.00 0.00 H new ATOM 0 HA SER A 40 5.790 -11.700 7.879 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.245 -11.496 9.042 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.925 -11.883 7.363 1.00 0.00 H new ATOM 0 HG SER A 40 3.229 -13.785 8.660 1.00 0.00 H new ATOM 561 N GLY A 41 4.150 -9.601 5.984 1.00 0.00 N ATOM 562 CA GLY A 41 3.978 -9.127 4.621 1.00 0.00 C ATOM 563 C GLY A 41 2.565 -8.583 4.403 1.00 0.00 C ATOM 564 O GLY A 41 2.292 -7.942 3.390 1.00 0.00 O ATOM 0 H GLY A 41 3.738 -9.001 6.699 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.709 -8.346 4.409 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.170 -9.941 3.922 1.00 0.00 H new ATOM 568 N TRP A 42 1.703 -8.860 5.372 1.00 0.00 N ATOM 569 CA TRP A 42 0.325 -8.406 5.299 1.00 0.00 C ATOM 570 C TRP A 42 0.283 -6.946 5.755 1.00 0.00 C ATOM 571 O TRP A 42 0.767 -6.616 6.836 1.00 0.00 O ATOM 572 CB TRP A 42 -0.595 -9.315 6.116 1.00 0.00 C ATOM 573 CG TRP A 42 -0.752 -10.723 5.539 1.00 0.00 C ATOM 574 CD1 TRP A 42 -0.025 -11.814 5.817 1.00 0.00 C ATOM 575 CD2 TRP A 42 -1.731 -11.151 4.569 1.00 0.00 C ATOM 576 NE1 TRP A 42 -0.462 -12.909 5.099 1.00 0.00 N ATOM 577 CE2 TRP A 42 -1.532 -12.493 4.317 1.00 0.00 C ATOM 578 CE3 TRP A 42 -2.751 -10.427 3.926 1.00 0.00 C ATOM 579 CZ2 TRP A 42 -2.315 -13.228 3.418 1.00 0.00 C ATOM 580 CZ3 TRP A 42 -3.524 -11.176 3.031 1.00 0.00 C ATOM 581 CH2 TRP A 42 -3.337 -12.528 2.765 1.00 0.00 C ATOM 0 H TRP A 42 1.933 -9.393 6.211 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.046 -8.461 4.276 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.205 -9.391 7.131 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.579 -8.851 6.186 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.799 -11.834 6.515 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.071 -13.850 5.136 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.924 -9.377 4.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.140 -14.278 3.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.322 -10.668 2.510 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -3.977 -13.036 2.058 1.00 0.00 H new ATOM 592 N TRP A 43 -0.301 -6.111 4.908 1.00 0.00 N ATOM 593 CA TRP A 43 -0.412 -4.695 5.210 1.00 0.00 C ATOM 594 C TRP A 43 -1.897 -4.359 5.362 1.00 0.00 C ATOM 595 O TRP A 43 -2.738 -4.916 4.658 1.00 0.00 O ATOM 596 CB TRP A 43 0.285 -3.849 4.143 1.00 0.00 C ATOM 597 CG TRP A 43 1.812 -3.864 4.238 1.00 0.00 C ATOM 598 CD1 TRP A 43 2.579 -4.537 5.107 1.00 0.00 C ATOM 599 CD2 TRP A 43 2.733 -3.144 3.392 1.00 0.00 C ATOM 600 NE1 TRP A 43 3.921 -4.304 4.885 1.00 0.00 N ATOM 601 CE2 TRP A 43 4.017 -3.429 3.808 1.00 0.00 C ATOM 602 CE3 TRP A 43 2.489 -2.279 2.310 1.00 0.00 C ATOM 603 CZ2 TRP A 43 5.158 -2.892 3.200 1.00 0.00 C ATOM 604 CZ3 TRP A 43 3.640 -1.750 1.713 1.00 0.00 C ATOM 605 CH2 TRP A 43 4.939 -2.027 2.121 1.00 0.00 C ATOM 0 H TRP A 43 -0.702 -6.389 4.012 1.00 0.00 H new ATOM 0 HA TRP A 43 0.097 -4.460 6.145 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.011 -4.209 3.158 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.064 -2.820 4.225 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.195 -5.181 5.884 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.699 -4.700 5.413 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.493 -2.042 1.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.153 -3.132 3.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.509 -1.080 0.877 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.776 -1.577 1.608 1.00 0.00 H new ATOM 616 N GLN A 44 -2.175 -3.451 6.286 1.00 0.00 N ATOM 617 CA GLN A 44 -3.544 -3.035 6.539 1.00 0.00 C ATOM 618 C GLN A 44 -3.757 -1.595 6.067 1.00 0.00 C ATOM 619 O GLN A 44 -3.400 -0.649 6.768 1.00 0.00 O ATOM 620 CB GLN A 44 -3.898 -3.185 8.020 1.00 0.00 C ATOM 621 CG GLN A 44 -5.411 -3.116 8.231 1.00 0.00 C ATOM 622 CD GLN A 44 -5.752 -2.983 9.717 1.00 0.00 C ATOM 623 OE1 GLN A 44 -4.929 -2.612 10.538 1.00 0.00 O ATOM 624 NE2 GLN A 44 -7.007 -3.306 10.016 1.00 0.00 N ATOM 0 H GLN A 44 -1.475 -2.992 6.869 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.211 -3.685 5.973 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.518 -4.136 8.394 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.411 -2.398 8.596 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.820 -2.267 7.683 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.880 -4.013 7.826 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.645 -3.609 9.280 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.332 -3.251 10.981 1.00 0.00 H new ATOM 633 N GLY A 45 -4.337 -1.473 4.882 1.00 0.00 N ATOM 634 CA GLY A 45 -4.601 -0.165 4.309 1.00 0.00 C ATOM 635 C GLY A 45 -6.051 -0.058 3.832 1.00 0.00 C ATOM 636 O GLY A 45 -6.820 -1.011 3.952 1.00 0.00 O ATOM 0 H GLY A 45 -4.632 -2.259 4.303 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.400 0.608 5.051 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.925 0.013 3.473 1.00 0.00 H new ATOM 640 N GLU A 46 -6.381 1.110 3.300 1.00 0.00 N ATOM 641 CA GLU A 46 -7.725 1.353 2.805 1.00 0.00 C ATOM 642 C GLU A 46 -7.683 1.737 1.324 1.00 0.00 C ATOM 643 O GLU A 46 -6.905 2.602 0.925 1.00 0.00 O ATOM 644 CB GLU A 46 -8.427 2.433 3.631 1.00 0.00 C ATOM 645 CG GLU A 46 -9.824 2.724 3.079 1.00 0.00 C ATOM 646 CD GLU A 46 -10.236 4.170 3.366 1.00 0.00 C ATOM 647 OE1 GLU A 46 -10.650 4.424 4.517 1.00 0.00 O ATOM 648 OE2 GLU A 46 -10.129 4.988 2.427 1.00 0.00 O ATOM 0 H GLU A 46 -5.741 1.898 3.201 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.301 0.433 2.906 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.502 2.110 4.669 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.832 3.346 3.623 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.839 2.544 2.004 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.546 2.041 3.527 1.00 0.00 H new ATOM 655 N LEU A 47 -8.530 1.074 0.550 1.00 0.00 N ATOM 656 CA LEU A 47 -8.599 1.335 -0.878 1.00 0.00 C ATOM 657 C LEU A 47 -9.063 2.775 -1.107 1.00 0.00 C ATOM 658 O LEU A 47 -10.140 3.163 -0.658 1.00 0.00 O ATOM 659 CB LEU A 47 -9.474 0.289 -1.572 1.00 0.00 C ATOM 660 CG LEU A 47 -8.876 -0.366 -2.818 1.00 0.00 C ATOM 661 CD1 LEU A 47 -9.359 -1.811 -2.963 1.00 0.00 C ATOM 662 CD2 LEU A 47 -9.169 0.464 -4.069 1.00 0.00 C ATOM 0 H LEU A 47 -9.174 0.357 0.884 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.612 1.242 -1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.709 -0.494 -0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.417 0.760 -1.850 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.793 -0.398 -2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.919 -2.254 -3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.057 -2.385 -2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.446 -1.825 -3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -8.733 -0.024 -4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.247 0.551 -4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.736 1.458 -3.956 1.00 0.00 H new ATOM 674 N GLN A 48 -8.226 3.528 -1.806 1.00 0.00 N ATOM 675 CA GLN A 48 -8.537 4.917 -2.101 1.00 0.00 C ATOM 676 C GLN A 48 -9.284 5.023 -3.432 1.00 0.00 C ATOM 677 O GLN A 48 -9.186 6.036 -4.123 1.00 0.00 O ATOM 678 CB GLN A 48 -7.268 5.772 -2.113 1.00 0.00 C ATOM 679 CG GLN A 48 -6.695 5.923 -0.703 1.00 0.00 C ATOM 680 CD GLN A 48 -7.454 6.991 0.086 1.00 0.00 C ATOM 681 OE1 GLN A 48 -7.543 8.143 -0.306 1.00 0.00 O ATOM 682 NE2 GLN A 48 -7.995 6.546 1.217 1.00 0.00 N ATOM 0 H GLN A 48 -7.333 3.203 -2.177 1.00 0.00 H new ATOM 0 HA GLN A 48 -9.185 5.300 -1.313 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.523 5.315 -2.765 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.492 6.756 -2.526 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.753 4.969 -0.179 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.640 6.191 -0.762 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.882 5.569 1.486 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.522 7.182 1.815 1.00 0.00 H new ATOM 691 N ALA A 49 -10.012 3.963 -3.752 1.00 0.00 N ATOM 692 CA ALA A 49 -10.774 3.925 -4.988 1.00 0.00 C ATOM 693 C ALA A 49 -12.267 3.873 -4.660 1.00 0.00 C ATOM 694 O ALA A 49 -12.659 3.363 -3.611 1.00 0.00 O ATOM 695 CB ALA A 49 -10.320 2.731 -5.831 1.00 0.00 C ATOM 0 H ALA A 49 -10.090 3.124 -3.177 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.597 4.826 -5.576 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.892 2.702 -6.759 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -9.259 2.831 -6.061 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -10.485 1.809 -5.274 1.00 0.00 H new ATOM 701 N ARG A 50 -13.061 4.407 -5.576 1.00 0.00 N ATOM 702 CA ARG A 50 -14.503 4.428 -5.397 1.00 0.00 C ATOM 703 C ARG A 50 -15.123 3.134 -5.929 1.00 0.00 C ATOM 704 O ARG A 50 -14.815 2.705 -7.040 1.00 0.00 O ATOM 705 CB ARG A 50 -15.131 5.621 -6.122 1.00 0.00 C ATOM 706 CG ARG A 50 -15.091 5.424 -7.638 1.00 0.00 C ATOM 707 CD ARG A 50 -15.520 6.699 -8.368 1.00 0.00 C ATOM 708 NE ARG A 50 -16.500 6.370 -9.427 1.00 0.00 N ATOM 709 CZ ARG A 50 -16.223 5.617 -10.500 1.00 0.00 C ATOM 710 NH1 ARG A 50 -14.993 5.110 -10.662 1.00 0.00 N ATOM 711 NH2 ARG A 50 -17.175 5.371 -11.410 1.00 0.00 N ATOM 0 H ARG A 50 -12.733 4.829 -6.445 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.703 4.519 -4.329 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -16.163 5.747 -5.795 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.598 6.534 -5.856 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.083 5.146 -7.946 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.748 4.601 -7.919 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -15.959 7.403 -7.661 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.650 7.188 -8.806 1.00 0.00 H new ATOM 0 HE ARG A 50 -17.446 6.740 -9.334 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.269 5.297 -9.969 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.781 4.537 -11.479 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -18.111 5.757 -11.286 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -16.964 4.798 -12.227 1.00 0.00 H new ATOM 725 N GLY A 51 -15.985 2.549 -5.111 1.00 0.00 N ATOM 726 CA GLY A 51 -16.650 1.313 -5.484 1.00 0.00 C ATOM 727 C GLY A 51 -17.394 0.708 -4.292 1.00 0.00 C ATOM 728 O GLY A 51 -16.828 -0.085 -3.540 1.00 0.00 O ATOM 0 H GLY A 51 -16.238 2.909 -4.191 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.352 1.504 -6.296 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.916 0.600 -5.859 1.00 0.00 H new ATOM 732 N LYS A 52 -18.651 1.105 -4.156 1.00 0.00 N ATOM 733 CA LYS A 52 -19.477 0.612 -3.067 1.00 0.00 C ATOM 734 C LYS A 52 -19.185 1.422 -1.803 1.00 0.00 C ATOM 735 O LYS A 52 -20.033 2.182 -1.338 1.00 0.00 O ATOM 736 CB LYS A 52 -19.286 -0.896 -2.889 1.00 0.00 C ATOM 737 CG LYS A 52 -20.531 -1.538 -2.275 1.00 0.00 C ATOM 738 CD LYS A 52 -20.551 -3.047 -2.527 1.00 0.00 C ATOM 739 CE LYS A 52 -21.979 -3.594 -2.469 1.00 0.00 C ATOM 740 NZ LYS A 52 -22.043 -4.781 -1.586 1.00 0.00 N ATOM 0 H LYS A 52 -19.117 1.762 -4.782 1.00 0.00 H new ATOM 0 HA LYS A 52 -20.533 0.751 -3.298 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -19.074 -1.356 -3.854 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -18.423 -1.084 -2.250 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -20.553 -1.345 -1.203 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -21.426 -1.083 -2.699 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -20.115 -3.262 -3.502 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -19.934 -3.552 -1.784 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -22.656 -2.823 -2.101 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -22.314 -3.860 -3.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -23.019 -5.140 -1.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -21.412 -5.522 -1.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -21.743 -4.516 -0.626 1.00 0.00 H new ATOM 754 N LYS A 53 -17.982 1.232 -1.282 1.00 0.00 N ATOM 755 CA LYS A 53 -17.567 1.936 -0.080 1.00 0.00 C ATOM 756 C LYS A 53 -16.039 1.938 0.002 1.00 0.00 C ATOM 757 O LYS A 53 -15.365 1.425 -0.889 1.00 0.00 O ATOM 758 CB LYS A 53 -18.248 1.340 1.153 1.00 0.00 C ATOM 759 CG LYS A 53 -17.835 -0.119 1.355 1.00 0.00 C ATOM 760 CD LYS A 53 -18.292 -0.634 2.722 1.00 0.00 C ATOM 761 CE LYS A 53 -17.422 -0.062 3.843 1.00 0.00 C ATOM 762 NZ LYS A 53 -16.530 -1.107 4.392 1.00 0.00 N ATOM 0 H LYS A 53 -17.281 0.601 -1.670 1.00 0.00 H new ATOM 0 HA LYS A 53 -17.887 2.977 -0.119 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -17.984 1.922 2.036 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -19.330 1.403 1.041 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -18.267 -0.736 0.567 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -16.752 -0.209 1.272 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -19.333 -0.359 2.889 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -18.244 -1.723 2.739 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -16.827 0.768 3.462 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -18.055 0.337 4.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.947 -0.702 5.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -17.103 -1.887 4.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -15.913 -1.468 3.637 1.00 0.00 H new ATOM 776 N ARG A 54 -15.537 2.522 1.081 1.00 0.00 N ATOM 777 CA ARG A 54 -14.102 2.598 1.291 1.00 0.00 C ATOM 778 C ARG A 54 -13.562 1.245 1.760 1.00 0.00 C ATOM 779 O ARG A 54 -13.758 0.860 2.912 1.00 0.00 O ATOM 780 CB ARG A 54 -13.753 3.666 2.330 1.00 0.00 C ATOM 781 CG ARG A 54 -14.082 5.066 1.808 1.00 0.00 C ATOM 782 CD ARG A 54 -12.821 5.928 1.717 1.00 0.00 C ATOM 783 NE ARG A 54 -13.143 7.232 1.096 1.00 0.00 N ATOM 784 CZ ARG A 54 -12.403 8.339 1.245 1.00 0.00 C ATOM 785 NH1 ARG A 54 -11.293 8.306 1.996 1.00 0.00 N ATOM 786 NH2 ARG A 54 -12.772 9.478 0.644 1.00 0.00 N ATOM 0 H ARG A 54 -16.099 2.947 1.819 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.642 2.868 0.340 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.306 3.478 3.250 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.693 3.606 2.577 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.547 4.991 0.825 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.806 5.543 2.468 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.404 6.083 2.712 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.061 5.414 1.129 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.981 7.292 0.518 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.012 7.439 2.453 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -10.729 9.148 2.110 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.617 9.503 0.073 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -12.208 10.320 0.758 1.00 0.00 H new ATOM 800 N GLN A 55 -12.892 0.562 0.844 1.00 0.00 N ATOM 801 CA GLN A 55 -12.323 -0.740 1.149 1.00 0.00 C ATOM 802 C GLN A 55 -11.185 -0.597 2.162 1.00 0.00 C ATOM 803 O GLN A 55 -10.396 0.344 2.087 1.00 0.00 O ATOM 804 CB GLN A 55 -11.839 -1.438 -0.123 1.00 0.00 C ATOM 805 CG GLN A 55 -12.810 -2.543 -0.545 1.00 0.00 C ATOM 806 CD GLN A 55 -14.082 -1.951 -1.156 1.00 0.00 C ATOM 807 OE1 GLN A 55 -15.105 -1.808 -0.507 1.00 0.00 O ATOM 808 NE2 GLN A 55 -13.961 -1.614 -2.437 1.00 0.00 N ATOM 0 H GLN A 55 -12.730 0.885 -0.110 1.00 0.00 H new ATOM 0 HA GLN A 55 -13.102 -1.361 1.591 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.740 -0.709 -0.927 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.849 -1.863 0.045 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.327 -3.200 -1.268 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.068 -3.155 0.319 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -13.075 -1.761 -2.921 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -14.754 -1.209 -2.935 1.00 0.00 H new ATOM 817 N LYS A 56 -11.137 -1.544 3.087 1.00 0.00 N ATOM 818 CA LYS A 56 -10.110 -1.536 4.115 1.00 0.00 C ATOM 819 C LYS A 56 -9.963 -2.944 4.694 1.00 0.00 C ATOM 820 O LYS A 56 -10.951 -3.570 5.073 1.00 0.00 O ATOM 821 CB LYS A 56 -10.412 -0.467 5.166 1.00 0.00 C ATOM 822 CG LYS A 56 -9.151 -0.094 5.948 1.00 0.00 C ATOM 823 CD LYS A 56 -8.888 -1.097 7.074 1.00 0.00 C ATOM 824 CE LYS A 56 -9.007 -0.426 8.444 1.00 0.00 C ATOM 825 NZ LYS A 56 -9.143 -1.445 9.509 1.00 0.00 N ATOM 0 H LYS A 56 -11.793 -2.323 3.146 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.145 -1.265 3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.819 0.420 4.681 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.175 -0.833 5.853 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.295 -0.066 5.273 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.260 0.907 6.366 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.598 -1.921 7.005 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.892 -1.525 6.960 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.127 0.190 8.632 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.870 0.239 8.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.051 -1.315 9.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.110 -2.395 9.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.364 -1.342 10.190 1.00 0.00 H new ATOM 839 N GLY A 57 -8.720 -3.402 4.745 1.00 0.00 N ATOM 840 CA GLY A 57 -8.431 -4.724 5.272 1.00 0.00 C ATOM 841 C GLY A 57 -6.932 -5.026 5.204 1.00 0.00 C ATOM 842 O GLY A 57 -6.120 -4.118 5.036 1.00 0.00 O ATOM 0 H GLY A 57 -7.902 -2.880 4.430 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.772 -4.790 6.305 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.983 -5.474 4.705 1.00 0.00 H new ATOM 846 N TRP A 58 -6.612 -6.304 5.339 1.00 0.00 N ATOM 847 CA TRP A 58 -5.225 -6.737 5.295 1.00 0.00 C ATOM 848 C TRP A 58 -4.960 -7.334 3.911 1.00 0.00 C ATOM 849 O TRP A 58 -5.826 -7.994 3.339 1.00 0.00 O ATOM 850 CB TRP A 58 -4.918 -7.710 6.435 1.00 0.00 C ATOM 851 CG TRP A 58 -4.875 -7.055 7.817 1.00 0.00 C ATOM 852 CD1 TRP A 58 -5.897 -6.821 8.651 1.00 0.00 C ATOM 853 CD2 TRP A 58 -3.703 -6.557 8.496 1.00 0.00 C ATOM 854 NE1 TRP A 58 -5.471 -6.211 9.814 1.00 0.00 N ATOM 855 CE2 TRP A 58 -4.095 -6.045 9.716 1.00 0.00 C ATOM 856 CE3 TRP A 58 -2.356 -6.540 8.093 1.00 0.00 C ATOM 857 CZ2 TRP A 58 -3.201 -5.479 10.633 1.00 0.00 C ATOM 858 CZ3 TRP A 58 -1.475 -5.970 9.020 1.00 0.00 C ATOM 859 CH2 TRP A 58 -1.854 -5.451 10.252 1.00 0.00 C ATOM 0 H TRP A 58 -7.289 -7.054 5.479 1.00 0.00 H new ATOM 0 HA TRP A 58 -4.552 -5.893 5.444 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -5.672 -8.497 6.440 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -3.958 -8.189 6.241 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -6.925 -7.077 8.440 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -6.058 -5.933 10.600 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.027 -6.935 7.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -3.532 -5.085 11.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.428 -5.931 8.759 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -1.112 -5.028 10.913 1.00 0.00 H new ATOM 870 N PHE A 59 -3.758 -7.081 3.413 1.00 0.00 N ATOM 871 CA PHE A 59 -3.368 -7.586 2.108 1.00 0.00 C ATOM 872 C PHE A 59 -1.847 -7.715 2.002 1.00 0.00 C ATOM 873 O PHE A 59 -1.112 -7.069 2.748 1.00 0.00 O ATOM 874 CB PHE A 59 -3.855 -6.570 1.072 1.00 0.00 C ATOM 875 CG PHE A 59 -3.108 -5.235 1.111 1.00 0.00 C ATOM 876 CD1 PHE A 59 -1.810 -5.170 0.709 1.00 0.00 C ATOM 877 CD2 PHE A 59 -3.742 -4.114 1.547 1.00 0.00 C ATOM 878 CE1 PHE A 59 -1.118 -3.931 0.744 1.00 0.00 C ATOM 879 CE2 PHE A 59 -3.049 -2.875 1.582 1.00 0.00 C ATOM 880 CZ PHE A 59 -1.752 -2.810 1.180 1.00 0.00 C ATOM 0 H PHE A 59 -3.042 -6.533 3.890 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.802 -8.573 1.946 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.752 -7.003 0.077 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.917 -6.385 1.231 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.306 -6.061 0.363 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.772 -4.166 1.867 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.088 -3.879 0.424 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.552 -1.984 1.928 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.225 -1.868 1.207 1.00 0.00 H new ATOM 890 N PRO A 60 -1.408 -8.575 1.045 1.00 0.00 N ATOM 891 CA PRO A 60 0.012 -8.797 0.832 1.00 0.00 C ATOM 892 C PRO A 60 0.650 -7.611 0.107 1.00 0.00 C ATOM 893 O PRO A 60 0.122 -7.137 -0.899 1.00 0.00 O ATOM 894 CB PRO A 60 0.093 -10.092 0.040 1.00 0.00 C ATOM 895 CG PRO A 60 -1.288 -10.301 -0.560 1.00 0.00 C ATOM 896 CD PRO A 60 -2.249 -9.357 0.143 1.00 0.00 C ATOM 0 HA PRO A 60 0.569 -8.881 1.765 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.852 -10.026 -0.740 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.369 -10.927 0.684 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.273 -10.102 -1.632 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.607 -11.335 -0.432 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.767 -8.716 -0.570 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.014 -9.907 0.692 1.00 0.00 H new ATOM 904 N ALA A 61 1.775 -7.165 0.645 1.00 0.00 N ATOM 905 CA ALA A 61 2.491 -6.043 0.061 1.00 0.00 C ATOM 906 C ALA A 61 3.136 -6.484 -1.255 1.00 0.00 C ATOM 907 O ALA A 61 3.541 -5.649 -2.062 1.00 0.00 O ATOM 908 CB ALA A 61 3.517 -5.513 1.065 1.00 0.00 C ATOM 0 H ALA A 61 2.209 -7.560 1.479 1.00 0.00 H new ATOM 0 HA ALA A 61 1.805 -5.226 -0.166 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.054 -4.672 0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.005 -5.185 1.970 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.224 -6.304 1.315 1.00 0.00 H new ATOM 914 N SER A 62 3.211 -7.795 -1.430 1.00 0.00 N ATOM 915 CA SER A 62 3.800 -8.356 -2.633 1.00 0.00 C ATOM 916 C SER A 62 2.878 -8.113 -3.830 1.00 0.00 C ATOM 917 O SER A 62 3.260 -8.359 -4.973 1.00 0.00 O ATOM 918 CB SER A 62 4.071 -9.853 -2.468 1.00 0.00 C ATOM 919 OG SER A 62 5.453 -10.125 -2.252 1.00 0.00 O ATOM 0 H SER A 62 2.874 -8.485 -0.759 1.00 0.00 H new ATOM 0 HA SER A 62 4.754 -7.859 -2.810 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.491 -10.236 -1.629 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.732 -10.383 -3.358 1.00 0.00 H new ATOM 0 HG SER A 62 5.584 -11.091 -2.150 1.00 0.00 H new ATOM 925 N HIS A 63 1.681 -7.633 -3.526 1.00 0.00 N ATOM 926 CA HIS A 63 0.701 -7.354 -4.562 1.00 0.00 C ATOM 927 C HIS A 63 0.725 -5.862 -4.902 1.00 0.00 C ATOM 928 O HIS A 63 0.187 -5.447 -5.928 1.00 0.00 O ATOM 929 CB HIS A 63 -0.686 -7.845 -4.144 1.00 0.00 C ATOM 930 CG HIS A 63 -0.956 -9.290 -4.489 1.00 0.00 C ATOM 931 ND1 HIS A 63 -1.735 -9.670 -5.568 1.00 0.00 N ATOM 932 CD2 HIS A 63 -0.542 -10.442 -3.887 1.00 0.00 C ATOM 933 CE1 HIS A 63 -1.782 -10.994 -5.604 1.00 0.00 C ATOM 934 NE2 HIS A 63 -1.043 -11.470 -4.561 1.00 0.00 N ATOM 0 H HIS A 63 1.368 -7.430 -2.577 1.00 0.00 H new ATOM 0 HA HIS A 63 0.958 -7.902 -5.468 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.798 -7.712 -3.068 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -1.441 -7.221 -4.623 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -2.195 -9.038 -6.224 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.086 -10.507 -3.011 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.312 -11.591 -6.331 1.00 0.00 H new ATOM 942 N VAL A 64 1.354 -5.098 -4.023 1.00 0.00 N ATOM 943 CA VAL A 64 1.455 -3.661 -4.217 1.00 0.00 C ATOM 944 C VAL A 64 2.926 -3.244 -4.148 1.00 0.00 C ATOM 945 O VAL A 64 3.793 -4.061 -3.844 1.00 0.00 O ATOM 946 CB VAL A 64 0.579 -2.932 -3.196 1.00 0.00 C ATOM 947 CG1 VAL A 64 -0.753 -3.658 -3.000 1.00 0.00 C ATOM 948 CG2 VAL A 64 1.313 -2.762 -1.865 1.00 0.00 C ATOM 0 H VAL A 64 1.799 -5.446 -3.174 1.00 0.00 H new ATOM 0 HA VAL A 64 1.083 -3.382 -5.203 1.00 0.00 H new ATOM 0 HB VAL A 64 0.364 -1.938 -3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.357 -3.120 -2.270 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.286 -3.703 -3.950 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.566 -4.670 -2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.668 -2.241 -1.158 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.573 -3.742 -1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.222 -2.182 -2.022 1.00 0.00 H new ATOM 958 N LYS A 65 3.161 -1.972 -4.437 1.00 0.00 N ATOM 959 CA LYS A 65 4.511 -1.436 -4.412 1.00 0.00 C ATOM 960 C LYS A 65 4.491 -0.042 -3.781 1.00 0.00 C ATOM 961 O LYS A 65 3.717 0.819 -4.197 1.00 0.00 O ATOM 962 CB LYS A 65 5.127 -1.469 -5.812 1.00 0.00 C ATOM 963 CG LYS A 65 4.541 -0.365 -6.694 1.00 0.00 C ATOM 964 CD LYS A 65 5.264 -0.298 -8.041 1.00 0.00 C ATOM 965 CE LYS A 65 6.469 0.641 -7.971 1.00 0.00 C ATOM 966 NZ LYS A 65 7.727 -0.116 -8.158 1.00 0.00 N ATOM 0 H LYS A 65 2.439 -1.297 -4.690 1.00 0.00 H new ATOM 0 HA LYS A 65 5.156 -2.058 -3.791 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.208 -1.347 -5.741 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.945 -2.441 -6.271 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.479 -0.549 -6.856 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.624 0.595 -6.184 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.593 -1.296 -8.331 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.574 0.047 -8.811 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.383 1.410 -8.738 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.484 1.151 -7.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.535 0.536 -8.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.814 -0.834 -7.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.716 -0.583 -9.087 1.00 0.00 H new ATOM 980 N LEU A 66 5.350 0.136 -2.789 1.00 0.00 N ATOM 981 CA LEU A 66 5.440 1.411 -2.097 1.00 0.00 C ATOM 982 C LEU A 66 5.841 2.500 -3.094 1.00 0.00 C ATOM 983 O LEU A 66 6.757 2.309 -3.892 1.00 0.00 O ATOM 984 CB LEU A 66 6.380 1.302 -0.894 1.00 0.00 C ATOM 985 CG LEU A 66 5.715 1.012 0.453 1.00 0.00 C ATOM 986 CD1 LEU A 66 6.741 1.032 1.587 1.00 0.00 C ATOM 987 CD2 LEU A 66 4.556 1.978 0.711 1.00 0.00 C ATOM 0 H LEU A 66 5.990 -0.581 -2.447 1.00 0.00 H new ATOM 0 HA LEU A 66 4.469 1.693 -1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.106 0.514 -1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.938 2.235 -0.808 1.00 0.00 H new ATOM 0 HG LEU A 66 5.295 0.007 0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.242 0.823 2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.502 0.273 1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.212 2.014 1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.100 1.751 1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.930 3.002 0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.811 1.871 -0.077 1.00 0.00 H new ATOM 999 N LEU A 67 5.134 3.618 -3.016 1.00 0.00 N ATOM 1000 CA LEU A 67 5.404 4.738 -3.901 1.00 0.00 C ATOM 1001 C LEU A 67 6.461 5.642 -3.265 1.00 0.00 C ATOM 1002 O LEU A 67 6.655 6.777 -3.699 1.00 0.00 O ATOM 1003 CB LEU A 67 4.106 5.465 -4.257 1.00 0.00 C ATOM 1004 CG LEU A 67 3.175 4.739 -5.231 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.150 5.702 -5.832 1.00 0.00 C ATOM 1006 CD2 LEU A 67 3.975 4.007 -6.311 1.00 0.00 C ATOM 0 H LEU A 67 4.374 3.772 -2.353 1.00 0.00 H new ATOM 0 HA LEU A 67 5.814 4.385 -4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.556 5.658 -3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.362 6.435 -4.684 1.00 0.00 H new ATOM 0 HG LEU A 67 2.619 3.985 -4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.501 5.160 -6.520 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.549 6.138 -5.034 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.668 6.495 -6.371 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.290 3.499 -6.990 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.574 4.726 -6.870 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.632 3.274 -5.843 1.00 0.00 H new ATOM 1018 N GLY A 68 7.117 5.106 -2.246 1.00 0.00 N ATOM 1019 CA GLY A 68 8.149 5.851 -1.545 1.00 0.00 C ATOM 1020 C GLY A 68 9.541 5.459 -2.043 1.00 0.00 C ATOM 1021 O GLY A 68 9.903 4.284 -2.026 1.00 0.00 O ATOM 0 H GLY A 68 6.954 4.165 -1.889 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.994 6.920 -1.691 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.075 5.662 -0.474 1.00 0.00 H new ATOM 1025 N PRO A 69 10.305 6.494 -2.487 1.00 0.00 N ATOM 1026 CA PRO A 69 11.650 6.269 -2.989 1.00 0.00 C ATOM 1027 C PRO A 69 12.625 5.996 -1.842 1.00 0.00 C ATOM 1028 O PRO A 69 12.314 6.262 -0.682 1.00 0.00 O ATOM 1029 CB PRO A 69 11.992 7.526 -3.773 1.00 0.00 C ATOM 1030 CG PRO A 69 11.019 8.592 -3.297 1.00 0.00 C ATOM 1031 CD PRO A 69 9.910 7.899 -2.523 1.00 0.00 C ATOM 0 HA PRO A 69 11.720 5.387 -3.625 1.00 0.00 H new ATOM 0 HB2 PRO A 69 13.023 7.830 -3.593 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.892 7.357 -4.845 1.00 0.00 H new ATOM 0 HG2 PRO A 69 11.529 9.319 -2.665 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.608 9.140 -4.145 1.00 0.00 H new ATOM 0 HD2 PRO A 69 9.813 8.309 -1.518 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.945 8.027 -3.014 1.00 0.00 H new ATOM 1039 N SER A 70 13.785 5.469 -2.207 1.00 0.00 N ATOM 1040 CA SER A 70 14.807 5.158 -1.223 1.00 0.00 C ATOM 1041 C SER A 70 16.175 5.628 -1.722 1.00 0.00 C ATOM 1042 O SER A 70 16.835 6.434 -1.069 1.00 0.00 O ATOM 1043 CB SER A 70 14.840 3.659 -0.918 1.00 0.00 C ATOM 1044 OG SER A 70 15.745 3.348 0.137 1.00 0.00 O ATOM 0 H SER A 70 14.039 5.250 -3.170 1.00 0.00 H new ATOM 0 HA SER A 70 14.564 5.684 -0.300 1.00 0.00 H new ATOM 0 HB2 SER A 70 13.839 3.322 -0.648 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.129 3.113 -1.816 1.00 0.00 H new ATOM 0 HG SER A 70 15.735 2.382 0.302 1.00 0.00 H new ATOM 1050 N SER A 71 16.560 5.102 -2.876 1.00 0.00 N ATOM 1051 CA SER A 71 17.838 5.458 -3.471 1.00 0.00 C ATOM 1052 C SER A 71 18.982 4.876 -2.639 1.00 0.00 C ATOM 1053 O SER A 71 18.955 4.936 -1.411 1.00 0.00 O ATOM 1054 CB SER A 71 17.986 6.976 -3.589 1.00 0.00 C ATOM 1055 OG SER A 71 18.254 7.383 -4.928 1.00 0.00 O ATOM 0 H SER A 71 16.010 4.433 -3.415 1.00 0.00 H new ATOM 0 HA SER A 71 17.877 5.037 -4.476 1.00 0.00 H new ATOM 0 HB2 SER A 71 17.073 7.458 -3.239 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.793 7.313 -2.939 1.00 0.00 H new ATOM 0 HG SER A 71 18.340 8.359 -4.962 1.00 0.00 H new ATOM 1061 N GLU A 72 19.961 4.325 -3.341 1.00 0.00 N ATOM 1062 CA GLU A 72 21.113 3.732 -2.683 1.00 0.00 C ATOM 1063 C GLU A 72 22.351 3.846 -3.575 1.00 0.00 C ATOM 1064 O GLU A 72 22.532 3.051 -4.496 1.00 0.00 O ATOM 1065 CB GLU A 72 20.840 2.275 -2.307 1.00 0.00 C ATOM 1066 CG GLU A 72 20.467 2.151 -0.829 1.00 0.00 C ATOM 1067 CD GLU A 72 20.024 0.725 -0.493 1.00 0.00 C ATOM 1068 OE1 GLU A 72 20.548 -0.201 -1.148 1.00 0.00 O ATOM 1069 OE2 GLU A 72 19.170 0.594 0.411 1.00 0.00 O ATOM 0 H GLU A 72 19.980 4.277 -4.360 1.00 0.00 H new ATOM 0 HA GLU A 72 21.302 4.281 -1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 72 20.032 1.882 -2.924 1.00 0.00 H new ATOM 0 HB3 GLU A 72 21.723 1.670 -2.515 1.00 0.00 H new ATOM 0 HG2 GLU A 72 21.321 2.425 -0.210 1.00 0.00 H new ATOM 0 HG3 GLU A 72 19.665 2.850 -0.593 1.00 0.00 H new ATOM 1076 N ARG A 73 23.172 4.841 -3.271 1.00 0.00 N ATOM 1077 CA ARG A 73 24.387 5.068 -4.033 1.00 0.00 C ATOM 1078 C ARG A 73 25.286 3.832 -3.981 1.00 0.00 C ATOM 1079 O ARG A 73 25.161 3.006 -3.078 1.00 0.00 O ATOM 1080 CB ARG A 73 25.158 6.274 -3.493 1.00 0.00 C ATOM 1081 CG ARG A 73 24.326 7.553 -3.607 1.00 0.00 C ATOM 1082 CD ARG A 73 24.314 8.074 -5.046 1.00 0.00 C ATOM 1083 NE ARG A 73 22.946 7.988 -5.604 1.00 0.00 N ATOM 1084 CZ ARG A 73 22.551 8.611 -6.722 1.00 0.00 C ATOM 1085 NH1 ARG A 73 23.416 9.369 -7.409 1.00 0.00 N ATOM 1086 NH2 ARG A 73 21.289 8.475 -7.154 1.00 0.00 N ATOM 0 H ARG A 73 23.019 5.499 -2.507 1.00 0.00 H new ATOM 0 HA ARG A 73 24.098 5.268 -5.065 1.00 0.00 H new ATOM 0 HB2 ARG A 73 25.426 6.102 -2.450 1.00 0.00 H new ATOM 0 HB3 ARG A 73 26.090 6.392 -4.046 1.00 0.00 H new ATOM 0 HG2 ARG A 73 23.305 7.357 -3.279 1.00 0.00 H new ATOM 0 HG3 ARG A 73 24.733 8.316 -2.944 1.00 0.00 H new ATOM 0 HD2 ARG A 73 24.661 9.107 -5.070 1.00 0.00 H new ATOM 0 HD3 ARG A 73 25.003 7.492 -5.658 1.00 0.00 H new ATOM 0 HE ARG A 73 22.261 7.419 -5.106 1.00 0.00 H new ATOM 0 HH11 ARG A 73 24.376 9.472 -7.081 1.00 0.00 H new ATOM 0 HH12 ARG A 73 23.114 9.843 -8.260 1.00 0.00 H new ATOM 0 HH21 ARG A 73 20.630 7.897 -6.631 1.00 0.00 H new ATOM 0 HH22 ARG A 73 20.987 8.949 -8.005 1.00 0.00 H new ATOM 1100 N ALA A 74 26.173 3.742 -4.961 1.00 0.00 N ATOM 1101 CA ALA A 74 27.093 2.620 -5.038 1.00 0.00 C ATOM 1102 C ALA A 74 28.138 2.896 -6.120 1.00 0.00 C ATOM 1103 O ALA A 74 29.339 2.823 -5.862 1.00 0.00 O ATOM 1104 CB ALA A 74 26.308 1.333 -5.301 1.00 0.00 C ATOM 0 H ALA A 74 26.274 4.428 -5.709 1.00 0.00 H new ATOM 0 HA ALA A 74 27.622 2.492 -4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 74 26.998 0.491 -5.359 1.00 0.00 H new ATOM 0 HB2 ALA A 74 25.600 1.167 -4.489 1.00 0.00 H new ATOM 0 HB3 ALA A 74 25.766 1.423 -6.242 1.00 0.00 H new ATOM 1110 N SER A 75 27.645 3.208 -7.310 1.00 0.00 N ATOM 1111 CA SER A 75 28.521 3.495 -8.432 1.00 0.00 C ATOM 1112 C SER A 75 28.675 5.008 -8.602 1.00 0.00 C ATOM 1113 O SER A 75 29.791 5.526 -8.599 1.00 0.00 O ATOM 1114 CB SER A 75 27.989 2.868 -9.722 1.00 0.00 C ATOM 1115 OG SER A 75 28.992 2.125 -10.408 1.00 0.00 O ATOM 0 H SER A 75 26.649 3.268 -7.521 1.00 0.00 H new ATOM 0 HA SER A 75 29.497 3.057 -8.223 1.00 0.00 H new ATOM 0 HB2 SER A 75 27.150 2.213 -9.487 1.00 0.00 H new ATOM 0 HB3 SER A 75 27.608 3.652 -10.376 1.00 0.00 H new ATOM 0 HG SER A 75 28.612 1.739 -11.225 1.00 0.00 H new ATOM 1121 N GLY A 76 27.538 5.674 -8.745 1.00 0.00 N ATOM 1122 CA GLY A 76 27.533 7.117 -8.916 1.00 0.00 C ATOM 1123 C GLY A 76 28.183 7.813 -7.719 1.00 0.00 C ATOM 1124 O GLY A 76 28.256 7.245 -6.630 1.00 0.00 O ATOM 0 H GLY A 76 26.614 5.241 -8.746 1.00 0.00 H new ATOM 0 HA2 GLY A 76 28.067 7.380 -9.829 1.00 0.00 H new ATOM 0 HA3 GLY A 76 26.508 7.469 -9.034 1.00 0.00 H new ATOM 1128 N PRO A 77 28.652 9.065 -7.967 1.00 0.00 N ATOM 1129 CA PRO A 77 29.294 9.845 -6.922 1.00 0.00 C ATOM 1130 C PRO A 77 28.262 10.390 -5.932 1.00 0.00 C ATOM 1131 O PRO A 77 27.216 10.896 -6.336 1.00 0.00 O ATOM 1132 CB PRO A 77 30.048 10.941 -7.657 1.00 0.00 C ATOM 1133 CG PRO A 77 29.430 11.016 -9.043 1.00 0.00 C ATOM 1134 CD PRO A 77 28.583 9.770 -9.244 1.00 0.00 C ATOM 0 HA PRO A 77 29.975 9.251 -6.312 1.00 0.00 H new ATOM 0 HB2 PRO A 77 29.956 11.894 -7.137 1.00 0.00 H new ATOM 0 HB3 PRO A 77 31.112 10.711 -7.716 1.00 0.00 H new ATOM 0 HG2 PRO A 77 28.818 11.913 -9.140 1.00 0.00 H new ATOM 0 HG3 PRO A 77 30.207 11.076 -9.805 1.00 0.00 H new ATOM 0 HD2 PRO A 77 27.555 10.027 -9.499 1.00 0.00 H new ATOM 0 HD3 PRO A 77 28.969 9.155 -10.057 1.00 0.00 H new ATOM 1142 N SER A 78 28.593 10.268 -4.655 1.00 0.00 N ATOM 1143 CA SER A 78 27.708 10.742 -3.605 1.00 0.00 C ATOM 1144 C SER A 78 27.419 12.233 -3.796 1.00 0.00 C ATOM 1145 O SER A 78 26.263 12.635 -3.909 1.00 0.00 O ATOM 1146 CB SER A 78 28.312 10.492 -2.221 1.00 0.00 C ATOM 1147 OG SER A 78 27.311 10.225 -1.242 1.00 0.00 O ATOM 0 H SER A 78 29.461 9.848 -4.324 1.00 0.00 H new ATOM 0 HA SER A 78 26.773 10.186 -3.670 1.00 0.00 H new ATOM 0 HB2 SER A 78 29.002 9.650 -2.273 1.00 0.00 H new ATOM 0 HB3 SER A 78 28.894 11.362 -1.917 1.00 0.00 H new ATOM 0 HG SER A 78 27.737 10.069 -0.373 1.00 0.00 H new ATOM 1153 N SER A 79 28.491 13.011 -3.826 1.00 0.00 N ATOM 1154 CA SER A 79 28.368 14.448 -4.002 1.00 0.00 C ATOM 1155 C SER A 79 29.617 15.000 -4.691 1.00 0.00 C ATOM 1156 O SER A 79 29.526 15.600 -5.761 1.00 0.00 O ATOM 1157 CB SER A 79 28.148 15.150 -2.660 1.00 0.00 C ATOM 1158 OG SER A 79 26.892 15.821 -2.609 1.00 0.00 O ATOM 0 H SER A 79 29.449 12.673 -3.731 1.00 0.00 H new ATOM 0 HA SER A 79 27.499 14.642 -4.630 1.00 0.00 H new ATOM 0 HB2 SER A 79 28.201 14.417 -1.855 1.00 0.00 H new ATOM 0 HB3 SER A 79 28.950 15.868 -2.491 1.00 0.00 H new ATOM 0 HG SER A 79 26.788 16.255 -1.737 1.00 0.00 H new ATOM 1164 N GLY A 80 30.755 14.778 -4.049 1.00 0.00 N ATOM 1165 CA GLY A 80 32.021 15.246 -4.587 1.00 0.00 C ATOM 1166 C GLY A 80 32.333 16.663 -4.101 1.00 0.00 C ATOM 1167 O GLY A 80 33.073 16.843 -3.136 1.00 0.00 O ATOM 0 H GLY A 80 30.826 14.280 -3.162 1.00 0.00 H new ATOM 0 HA2 GLY A 80 32.821 14.570 -4.285 1.00 0.00 H new ATOM 0 HA3 GLY A 80 31.985 15.231 -5.676 1.00 0.00 H new TER 1171 GLY A 80