USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 757 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 50 ASN : amide:sc= 0.564 X(o=0.87,f=0.98) USER MOD Set 1.2: A 110 TYR OH : rot 180:sc= 0.533 USER MOD Set 1.3: A 112 HIS : no HD1:sc= -0.228 K(o=0.87,f=-1.6) USER MOD Set 2.1: A 51 HIS : no HE2:sc= 0.893 K(o=1.5,f=-5.2!) USER MOD Set 2.2: A 109 ASN : amide:sc= 0.612 K(o=1.5,f=-2.1) USER MOD Set 3.1: A 68 HIS : no HE2:sc= 1.16 K(o=2.4,f=-3.5) USER MOD Set 3.2: A 88 TYR OH : rot 73:sc= 1.26 USER MOD Set 4.1: A 76 ASN : amide:sc= 1.96 K(o=2.9,f=1.5) USER MOD Set 4.2: A 82 THR OG1 : rot 173:sc= 0.921 USER MOD Set 5.1: A 60 GLN : amide:sc= 0.679 K(o=0.7,f=-2.8!) USER MOD Set 5.2: A 62 SER OG : rot 180:sc= 0.0222 USER MOD Set 6.1: A 55 LYS NZ :NH3+ -125:sc= -0.0883 (180deg=-1.33!) USER MOD Set 6.2: A 74 SER OG : rot 180:sc= -0.762 USER MOD Set 7.1: A 21 TYR OH : rot 180:sc= 1.01 USER MOD Set 7.2: A 30 SER OG : rot -87:sc= 1.36 USER MOD Set 8.1: A 19 TYR OH : rot 180:sc= 0.462 USER MOD Set 8.2: A 23 LYS NZ :NH3+ -178:sc= 1.77 (180deg=1.22) USER MOD Set 9.1: A 2 SER OG : rot 180:sc= 0.0337 USER MOD Set 9.2: A 3 SER OG : rot 70:sc= 0.0296 USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0718 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0.183 USER MOD Single : A 9 ASN : amide:sc= -0.546 K(o=-0.55,f=-11!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 86:sc= 0.341 USER MOD Single : A 15 GLN : amide:sc= -0.341 X(o=-0.34,f=-0.021) USER MOD Single : A 16 CYS SG : rot -115:sc= 0.738 USER MOD Single : A 17 THR OG1 : rot 151:sc= 0.366 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.389 X(o=-0.39,f=-0.0083) USER MOD Single : A 36 ASN : amide:sc= 0.681 K(o=0.68,f=-0.021) USER MOD Single : A 37 ASN : amide:sc= -2.17! K(o=-2.2!,f=-1) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -14:sc= 0.902 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0766 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.0433 USER MOD Single : A 80 SER OG : rot 105:sc= 1.22 USER MOD Single : A 84 SER OG : rot 136:sc= 1.22 USER MOD Single : A 86 MET CE :methyl -113:sc= -0.362 (180deg=-1.41) USER MOD Single : A 87 ASN : amide:sc= -0.132 K(o=-0.13,f=-3.3!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0602 USER MOD Single : A 101 SER OG : rot 180:sc= 0.00668 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.0747 X(o=-0.075,f=-0.056) USER MOD Single : A 108 TYR OH : rot 166:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.143 10.088 9.155 1.00 0.00 N ATOM 2 CA GLY A 1 -22.491 8.757 9.196 1.00 0.00 C ATOM 3 C GLY A 1 -22.133 8.343 10.606 1.00 0.00 C ATOM 4 O GLY A 1 -22.058 9.187 11.502 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.142 9.977 8.887 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.084 10.533 10.093 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.662 10.689 8.456 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.157 8.014 8.758 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.589 8.776 8.584 1.00 0.00 H new ATOM 10 N SER A 2 -21.917 7.052 10.806 1.00 0.00 N ATOM 11 CA SER A 2 -21.542 6.533 12.109 1.00 0.00 C ATOM 12 C SER A 2 -21.072 5.089 11.997 1.00 0.00 C ATOM 13 O SER A 2 -21.708 4.273 11.321 1.00 0.00 O ATOM 14 CB SER A 2 -22.725 6.617 13.081 1.00 0.00 C ATOM 15 OG SER A 2 -22.393 6.068 14.346 1.00 0.00 O ATOM 0 H SER A 2 -21.996 6.343 10.077 1.00 0.00 H new ATOM 0 HA SER A 2 -20.723 7.142 12.492 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.026 7.658 13.202 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.580 6.084 12.664 1.00 0.00 H new ATOM 0 HG SER A 2 -23.165 6.137 14.945 1.00 0.00 H new ATOM 21 N SER A 3 -19.945 4.798 12.645 1.00 0.00 N ATOM 22 CA SER A 3 -19.442 3.437 12.786 1.00 0.00 C ATOM 23 C SER A 3 -19.007 2.836 11.447 1.00 0.00 C ATOM 24 O SER A 3 -18.982 3.514 10.417 1.00 0.00 O ATOM 25 CB SER A 3 -20.508 2.565 13.453 1.00 0.00 C ATOM 26 OG SER A 3 -20.956 3.160 14.665 1.00 0.00 O ATOM 0 H SER A 3 -19.355 5.503 13.087 1.00 0.00 H new ATOM 0 HA SER A 3 -18.552 3.471 13.415 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.351 2.429 12.775 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.100 1.575 13.657 1.00 0.00 H new ATOM 0 HG SER A 3 -21.481 3.962 14.461 1.00 0.00 H new ATOM 32 N ILE A 4 -18.643 1.563 11.477 1.00 0.00 N ATOM 33 CA ILE A 4 -18.219 0.850 10.282 1.00 0.00 C ATOM 34 C ILE A 4 -19.359 -0.063 9.818 1.00 0.00 C ATOM 35 O ILE A 4 -19.145 -1.169 9.318 1.00 0.00 O ATOM 36 CB ILE A 4 -16.934 0.020 10.557 1.00 0.00 C ATOM 37 CG1 ILE A 4 -15.897 0.866 11.310 1.00 0.00 C ATOM 38 CG2 ILE A 4 -16.326 -0.502 9.258 1.00 0.00 C ATOM 39 CD1 ILE A 4 -15.418 2.086 10.546 1.00 0.00 C ATOM 0 H ILE A 4 -18.633 0.998 12.326 1.00 0.00 H new ATOM 0 HA ILE A 4 -17.984 1.570 9.499 1.00 0.00 H new ATOM 0 HB ILE A 4 -17.217 -0.833 11.174 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -16.328 1.190 12.257 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -15.037 0.240 11.548 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -15.429 -1.079 9.482 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -17.049 -1.139 8.748 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -16.066 0.338 8.615 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -14.688 2.628 11.147 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -14.955 1.771 9.611 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -16.266 2.736 10.331 1.00 0.00 H new ATOM 51 N SER A 5 -20.580 0.422 9.999 1.00 0.00 N ATOM 52 CA SER A 5 -21.775 -0.330 9.646 1.00 0.00 C ATOM 53 C SER A 5 -21.822 -0.572 8.144 1.00 0.00 C ATOM 54 O SER A 5 -22.020 -1.697 7.692 1.00 0.00 O ATOM 55 CB SER A 5 -23.015 0.434 10.110 1.00 0.00 C ATOM 56 OG SER A 5 -22.913 0.770 11.483 1.00 0.00 O ATOM 0 H SER A 5 -20.769 1.344 10.393 1.00 0.00 H new ATOM 0 HA SER A 5 -21.751 -1.299 10.144 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.133 1.341 9.517 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.905 -0.173 9.944 1.00 0.00 H new ATOM 0 HG SER A 5 -23.715 1.260 11.760 1.00 0.00 H new ATOM 62 N HIS A 6 -21.631 0.491 7.373 1.00 0.00 N ATOM 63 CA HIS A 6 -21.469 0.354 5.936 1.00 0.00 C ATOM 64 C HIS A 6 -20.039 -0.071 5.650 1.00 0.00 C ATOM 65 O HIS A 6 -19.785 -1.205 5.244 1.00 0.00 O ATOM 66 CB HIS A 6 -21.780 1.665 5.202 1.00 0.00 C ATOM 67 CG HIS A 6 -23.224 2.061 5.229 1.00 0.00 C ATOM 68 ND1 HIS A 6 -24.092 1.810 4.188 1.00 0.00 N ATOM 69 CD2 HIS A 6 -23.947 2.717 6.165 1.00 0.00 C ATOM 70 CE1 HIS A 6 -25.283 2.294 4.483 1.00 0.00 C ATOM 71 NE2 HIS A 6 -25.221 2.848 5.677 1.00 0.00 N ATOM 0 H HIS A 6 -21.585 1.450 7.718 1.00 0.00 H new ATOM 0 HA HIS A 6 -22.172 -0.396 5.574 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -21.188 2.465 5.646 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -21.461 1.571 4.164 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -23.587 3.072 7.120 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -26.159 2.245 3.854 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -25.996 3.301 6.160 1.00 0.00 H new ATOM 80 N SER A 7 -19.115 0.850 5.895 1.00 0.00 N ATOM 81 CA SER A 7 -17.695 0.580 5.797 1.00 0.00 C ATOM 82 C SER A 7 -16.915 1.822 6.202 1.00 0.00 C ATOM 83 O SER A 7 -17.450 2.930 6.174 1.00 0.00 O ATOM 84 CB SER A 7 -17.308 0.160 4.371 1.00 0.00 C ATOM 85 OG SER A 7 -15.927 -0.155 4.283 1.00 0.00 O ATOM 0 H SER A 7 -19.336 1.808 6.168 1.00 0.00 H new ATOM 0 HA SER A 7 -17.452 -0.244 6.468 1.00 0.00 H new ATOM 0 HB2 SER A 7 -17.900 -0.704 4.071 1.00 0.00 H new ATOM 0 HB3 SER A 7 -17.545 0.965 3.676 1.00 0.00 H new ATOM 0 HG SER A 7 -15.710 -0.420 3.365 1.00 0.00 H new ATOM 91 N GLY A 8 -15.663 1.630 6.587 1.00 0.00 N ATOM 92 CA GLY A 8 -14.804 2.752 6.903 1.00 0.00 C ATOM 93 C GLY A 8 -13.889 3.071 5.745 1.00 0.00 C ATOM 94 O GLY A 8 -12.993 3.909 5.849 1.00 0.00 O ATOM 0 H GLY A 8 -15.225 0.714 6.687 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -15.412 3.624 7.143 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -14.211 2.523 7.788 1.00 0.00 H new ATOM 98 N ASN A 9 -14.121 2.392 4.634 1.00 0.00 N ATOM 99 CA ASN A 9 -13.312 2.569 3.444 1.00 0.00 C ATOM 100 C ASN A 9 -14.146 3.222 2.348 1.00 0.00 C ATOM 101 O ASN A 9 -15.315 2.883 2.162 1.00 0.00 O ATOM 102 CB ASN A 9 -12.779 1.214 2.983 1.00 0.00 C ATOM 103 CG ASN A 9 -11.652 1.326 1.978 1.00 0.00 C ATOM 104 OD1 ASN A 9 -11.606 2.238 1.154 1.00 0.00 O ATOM 105 ND2 ASN A 9 -10.720 0.395 2.048 1.00 0.00 N ATOM 0 H ASN A 9 -14.871 1.708 4.533 1.00 0.00 H new ATOM 0 HA ASN A 9 -12.466 3.219 3.668 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -12.429 0.654 3.850 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -13.595 0.641 2.542 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.928 0.417 1.405 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.791 -0.347 2.745 1.00 0.00 H new ATOM 112 N LEU A 10 -13.549 4.166 1.634 1.00 0.00 N ATOM 113 CA LEU A 10 -14.262 4.925 0.616 1.00 0.00 C ATOM 114 C LEU A 10 -14.056 4.349 -0.781 1.00 0.00 C ATOM 115 O LEU A 10 -14.699 4.785 -1.736 1.00 0.00 O ATOM 116 CB LEU A 10 -13.776 6.368 0.630 1.00 0.00 C ATOM 117 CG LEU A 10 -13.965 7.116 1.955 1.00 0.00 C ATOM 118 CD1 LEU A 10 -13.449 8.542 1.842 1.00 0.00 C ATOM 119 CD2 LEU A 10 -15.430 7.108 2.373 1.00 0.00 C ATOM 0 H LEU A 10 -12.568 4.425 1.742 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.325 4.870 0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -12.716 6.378 0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.298 6.916 -0.154 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.388 6.602 2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -13.592 9.057 2.792 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.388 8.526 1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -13.997 9.066 1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -15.542 7.644 3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -16.030 7.595 1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -15.767 6.079 2.498 1.00 0.00 H new ATOM 131 N TYR A 11 -13.158 3.386 -0.907 1.00 0.00 N ATOM 132 CA TYR A 11 -12.793 2.874 -2.223 1.00 0.00 C ATOM 133 C TYR A 11 -13.738 1.747 -2.657 1.00 0.00 C ATOM 134 O TYR A 11 -14.790 1.541 -2.051 1.00 0.00 O ATOM 135 CB TYR A 11 -11.335 2.399 -2.220 1.00 0.00 C ATOM 136 CG TYR A 11 -10.609 2.663 -3.522 1.00 0.00 C ATOM 137 CD1 TYR A 11 -10.136 3.935 -3.820 1.00 0.00 C ATOM 138 CD2 TYR A 11 -10.390 1.649 -4.446 1.00 0.00 C ATOM 139 CE1 TYR A 11 -9.470 4.191 -5.000 1.00 0.00 C ATOM 140 CE2 TYR A 11 -9.724 1.899 -5.633 1.00 0.00 C ATOM 141 CZ TYR A 11 -9.266 3.171 -5.904 1.00 0.00 C ATOM 142 OH TYR A 11 -8.592 3.425 -7.078 1.00 0.00 O ATOM 0 H TYR A 11 -12.672 2.946 -0.126 1.00 0.00 H new ATOM 0 HA TYR A 11 -12.891 3.683 -2.947 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -10.802 2.895 -1.409 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.310 1.330 -2.010 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.293 4.738 -3.115 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -10.745 0.651 -4.235 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.110 5.186 -5.215 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -9.564 1.102 -6.344 1.00 0.00 H new ATOM 0 HH TYR A 11 -8.531 2.601 -7.605 1.00 0.00 H new ATOM 152 N THR A 12 -13.344 1.028 -3.704 1.00 0.00 N ATOM 153 CA THR A 12 -14.183 0.013 -4.330 1.00 0.00 C ATOM 154 C THR A 12 -14.376 -1.208 -3.424 1.00 0.00 C ATOM 155 O THR A 12 -15.214 -1.203 -2.519 1.00 0.00 O ATOM 156 CB THR A 12 -13.550 -0.437 -5.663 1.00 0.00 C ATOM 157 OG1 THR A 12 -12.998 0.699 -6.339 1.00 0.00 O ATOM 158 CG2 THR A 12 -14.562 -1.124 -6.566 1.00 0.00 C ATOM 0 H THR A 12 -12.430 1.134 -4.143 1.00 0.00 H new ATOM 0 HA THR A 12 -15.161 0.459 -4.508 1.00 0.00 H new ATOM 0 HB THR A 12 -12.764 -1.157 -5.433 1.00 0.00 H new ATOM 0 HG1 THR A 12 -12.087 0.861 -6.016 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.076 -1.425 -7.494 1.00 0.00 H new ATOM 0 HG22 THR A 12 -14.960 -2.005 -6.062 1.00 0.00 H new ATOM 0 HG23 THR A 12 -15.376 -0.435 -6.790 1.00 0.00 H new ATOM 166 N ALA A 13 -13.577 -2.244 -3.663 1.00 0.00 N ATOM 167 CA ALA A 13 -13.654 -3.482 -2.912 1.00 0.00 C ATOM 168 C ALA A 13 -12.520 -4.407 -3.315 1.00 0.00 C ATOM 169 O ALA A 13 -12.334 -4.684 -4.497 1.00 0.00 O ATOM 170 CB ALA A 13 -14.994 -4.174 -3.135 1.00 0.00 C ATOM 0 H ALA A 13 -12.858 -2.243 -4.386 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.564 -3.243 -1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.025 -5.100 -2.560 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.801 -3.518 -2.810 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.115 -4.400 -4.194 1.00 0.00 H new ATOM 176 N GLY A 14 -11.744 -4.844 -2.333 1.00 0.00 N ATOM 177 CA GLY A 14 -10.668 -5.784 -2.585 1.00 0.00 C ATOM 178 C GLY A 14 -9.593 -5.228 -3.494 1.00 0.00 C ATOM 179 O GLY A 14 -8.825 -5.981 -4.079 1.00 0.00 O ATOM 0 H GLY A 14 -11.841 -4.562 -1.358 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.218 -6.075 -1.636 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.081 -6.688 -3.032 1.00 0.00 H new ATOM 183 N GLN A 15 -9.536 -3.910 -3.613 1.00 0.00 N ATOM 184 CA GLN A 15 -8.545 -3.267 -4.466 1.00 0.00 C ATOM 185 C GLN A 15 -7.216 -3.148 -3.739 1.00 0.00 C ATOM 186 O GLN A 15 -7.163 -3.250 -2.514 1.00 0.00 O ATOM 187 CB GLN A 15 -9.032 -1.881 -4.899 1.00 0.00 C ATOM 188 CG GLN A 15 -10.223 -1.923 -5.841 1.00 0.00 C ATOM 189 CD GLN A 15 -9.841 -2.349 -7.242 1.00 0.00 C ATOM 190 OE1 GLN A 15 -9.564 -1.516 -8.101 1.00 0.00 O ATOM 191 NE2 GLN A 15 -9.778 -3.647 -7.470 1.00 0.00 N ATOM 0 H GLN A 15 -10.162 -3.265 -3.131 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.405 -3.883 -5.354 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.300 -1.306 -4.013 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.212 -1.353 -5.386 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.970 -2.612 -5.446 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.687 -0.937 -5.879 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.016 -4.307 -6.730 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.491 -3.990 -8.387 1.00 0.00 H new ATOM 200 N CYS A 16 -6.151 -2.922 -4.497 1.00 0.00 N ATOM 201 CA CYS A 16 -4.824 -2.763 -3.919 1.00 0.00 C ATOM 202 C CYS A 16 -4.798 -1.574 -2.970 1.00 0.00 C ATOM 203 O CYS A 16 -4.314 -1.673 -1.847 1.00 0.00 O ATOM 204 CB CYS A 16 -3.782 -2.590 -5.027 1.00 0.00 C ATOM 205 SG CYS A 16 -4.326 -1.531 -6.390 1.00 0.00 S ATOM 0 H CYS A 16 -6.181 -2.845 -5.514 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.580 -3.661 -3.351 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.873 -2.171 -4.595 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.523 -3.571 -5.424 1.00 0.00 H new ATOM 0 HG CYS A 16 -4.401 -2.233 -7.482 1.00 0.00 H new ATOM 211 N THR A 17 -5.368 -0.463 -3.417 1.00 0.00 N ATOM 212 CA THR A 17 -5.421 0.743 -2.607 1.00 0.00 C ATOM 213 C THR A 17 -6.467 0.593 -1.508 1.00 0.00 C ATOM 214 O THR A 17 -6.320 1.124 -0.408 1.00 0.00 O ATOM 215 CB THR A 17 -5.757 1.968 -3.474 1.00 0.00 C ATOM 216 OG1 THR A 17 -6.852 1.656 -4.344 1.00 0.00 O ATOM 217 CG2 THR A 17 -4.559 2.401 -4.301 1.00 0.00 C ATOM 0 H THR A 17 -5.800 -0.374 -4.337 1.00 0.00 H new ATOM 0 HA THR A 17 -4.440 0.891 -2.155 1.00 0.00 H new ATOM 0 HB THR A 17 -6.031 2.789 -2.812 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.354 2.473 -4.544 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.827 3.269 -4.903 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.734 2.661 -3.638 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.255 1.585 -4.956 1.00 0.00 H new ATOM 225 N TRP A 18 -7.511 -0.163 -1.820 1.00 0.00 N ATOM 226 CA TRP A 18 -8.604 -0.405 -0.894 1.00 0.00 C ATOM 227 C TRP A 18 -8.112 -1.198 0.315 1.00 0.00 C ATOM 228 O TRP A 18 -8.371 -0.823 1.455 1.00 0.00 O ATOM 229 CB TRP A 18 -9.722 -1.157 -1.621 1.00 0.00 C ATOM 230 CG TRP A 18 -10.965 -1.376 -0.814 1.00 0.00 C ATOM 231 CD1 TRP A 18 -12.048 -0.545 -0.732 1.00 0.00 C ATOM 232 CD2 TRP A 18 -11.265 -2.508 0.012 1.00 0.00 C ATOM 233 NE1 TRP A 18 -13.003 -1.101 0.081 1.00 0.00 N ATOM 234 CE2 TRP A 18 -12.546 -2.301 0.554 1.00 0.00 C ATOM 235 CE3 TRP A 18 -10.576 -3.678 0.344 1.00 0.00 C ATOM 236 CZ2 TRP A 18 -13.152 -3.220 1.406 1.00 0.00 C ATOM 237 CZ3 TRP A 18 -11.179 -4.589 1.192 1.00 0.00 C ATOM 238 CH2 TRP A 18 -12.456 -4.355 1.713 1.00 0.00 C ATOM 0 H TRP A 18 -7.622 -0.625 -2.723 1.00 0.00 H new ATOM 0 HA TRP A 18 -8.992 0.547 -0.532 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -9.985 -0.604 -2.523 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.339 -2.126 -1.941 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -12.138 0.408 -1.233 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -13.909 -0.686 0.298 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.590 -3.867 -0.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -14.138 -3.042 1.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.655 -5.496 1.456 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.901 -5.086 2.371 1.00 0.00 H new ATOM 249 N TYR A 19 -7.385 -2.280 0.060 1.00 0.00 N ATOM 250 CA TYR A 19 -6.877 -3.128 1.131 1.00 0.00 C ATOM 251 C TYR A 19 -5.930 -2.348 2.031 1.00 0.00 C ATOM 252 O TYR A 19 -6.019 -2.431 3.253 1.00 0.00 O ATOM 253 CB TYR A 19 -6.168 -4.349 0.547 1.00 0.00 C ATOM 254 CG TYR A 19 -5.676 -5.332 1.589 1.00 0.00 C ATOM 255 CD1 TYR A 19 -6.569 -6.041 2.385 1.00 0.00 C ATOM 256 CD2 TYR A 19 -4.318 -5.555 1.776 1.00 0.00 C ATOM 257 CE1 TYR A 19 -6.121 -6.939 3.339 1.00 0.00 C ATOM 258 CE2 TYR A 19 -3.863 -6.453 2.723 1.00 0.00 C ATOM 259 CZ TYR A 19 -4.767 -7.143 3.502 1.00 0.00 C ATOM 260 OH TYR A 19 -4.311 -8.028 4.457 1.00 0.00 O ATOM 0 H TYR A 19 -7.134 -2.590 -0.879 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.721 -3.466 1.732 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.850 -4.864 -0.130 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.320 -4.013 -0.050 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.630 -5.889 2.257 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.604 -5.017 1.170 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.829 -7.477 3.952 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.803 -6.614 2.852 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.331 -8.053 4.438 1.00 0.00 H new ATOM 270 N VAL A 20 -5.033 -1.585 1.422 1.00 0.00 N ATOM 271 CA VAL A 20 -4.104 -0.747 2.173 1.00 0.00 C ATOM 272 C VAL A 20 -4.857 0.211 3.096 1.00 0.00 C ATOM 273 O VAL A 20 -4.531 0.333 4.280 1.00 0.00 O ATOM 274 CB VAL A 20 -3.185 0.060 1.235 1.00 0.00 C ATOM 275 CG1 VAL A 20 -2.308 1.013 2.029 1.00 0.00 C ATOM 276 CG2 VAL A 20 -2.326 -0.875 0.396 1.00 0.00 C ATOM 0 H VAL A 20 -4.928 -1.528 0.409 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.487 -1.414 2.775 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.814 0.648 0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.668 1.572 1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.937 1.707 2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.689 0.445 2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.684 -0.288 -0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.710 -1.490 1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.969 -1.518 -0.206 1.00 0.00 H new ATOM 286 N TYR A 21 -5.880 0.864 2.557 1.00 0.00 N ATOM 287 CA TYR A 21 -6.670 1.816 3.327 1.00 0.00 C ATOM 288 C TYR A 21 -7.418 1.110 4.456 1.00 0.00 C ATOM 289 O TYR A 21 -7.605 1.668 5.538 1.00 0.00 O ATOM 290 CB TYR A 21 -7.655 2.550 2.415 1.00 0.00 C ATOM 291 CG TYR A 21 -8.315 3.739 3.070 1.00 0.00 C ATOM 292 CD1 TYR A 21 -7.580 4.869 3.390 1.00 0.00 C ATOM 293 CD2 TYR A 21 -9.669 3.732 3.368 1.00 0.00 C ATOM 294 CE1 TYR A 21 -8.172 5.960 3.990 1.00 0.00 C ATOM 295 CE2 TYR A 21 -10.272 4.819 3.966 1.00 0.00 C ATOM 296 CZ TYR A 21 -9.522 5.932 4.277 1.00 0.00 C ATOM 297 OH TYR A 21 -10.120 7.016 4.878 1.00 0.00 O ATOM 0 H TYR A 21 -6.182 0.751 1.589 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.991 2.546 3.769 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.129 2.884 1.521 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.426 1.851 2.089 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.524 4.896 3.165 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.261 2.861 3.128 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.583 6.832 4.234 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.328 4.798 4.190 1.00 0.00 H new ATOM 0 HH TYR A 21 -11.074 6.833 5.009 1.00 0.00 H new ATOM 307 N ASP A 22 -7.830 -0.125 4.204 1.00 0.00 N ATOM 308 CA ASP A 22 -8.543 -0.912 5.204 1.00 0.00 C ATOM 309 C ASP A 22 -7.604 -1.325 6.335 1.00 0.00 C ATOM 310 O ASP A 22 -7.953 -1.227 7.511 1.00 0.00 O ATOM 311 CB ASP A 22 -9.173 -2.151 4.560 1.00 0.00 C ATOM 312 CG ASP A 22 -10.027 -2.949 5.529 1.00 0.00 C ATOM 313 OD1 ASP A 22 -11.159 -2.512 5.828 1.00 0.00 O ATOM 314 OD2 ASP A 22 -9.584 -4.029 5.978 1.00 0.00 O ATOM 0 H ASP A 22 -7.683 -0.605 3.316 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.337 -0.293 5.623 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.785 -1.843 3.713 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.384 -2.791 4.167 1.00 0.00 H new ATOM 319 N LYS A 23 -6.402 -1.761 5.970 1.00 0.00 N ATOM 320 CA LYS A 23 -5.411 -2.220 6.943 1.00 0.00 C ATOM 321 C LYS A 23 -5.016 -1.107 7.909 1.00 0.00 C ATOM 322 O LYS A 23 -4.852 -1.342 9.106 1.00 0.00 O ATOM 323 CB LYS A 23 -4.163 -2.737 6.228 1.00 0.00 C ATOM 324 CG LYS A 23 -4.421 -3.931 5.329 1.00 0.00 C ATOM 325 CD LYS A 23 -4.699 -5.197 6.124 1.00 0.00 C ATOM 326 CE LYS A 23 -3.440 -5.725 6.793 1.00 0.00 C ATOM 327 NZ LYS A 23 -3.581 -7.147 7.201 1.00 0.00 N ATOM 0 H LYS A 23 -6.087 -1.807 5.001 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.867 -3.028 7.516 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.738 -1.930 5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.416 -3.010 6.973 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.270 -3.718 4.679 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.558 -4.091 4.683 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.456 -4.993 6.881 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.108 -5.961 5.462 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.597 -5.626 6.109 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.213 -5.117 7.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.713 -7.457 7.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.390 -7.244 7.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.738 -7.736 6.358 1.00 0.00 H new ATOM 341 N VAL A 24 -4.865 0.106 7.390 1.00 0.00 N ATOM 342 CA VAL A 24 -4.475 1.239 8.221 1.00 0.00 C ATOM 343 C VAL A 24 -5.666 1.781 9.010 1.00 0.00 C ATOM 344 O VAL A 24 -5.536 2.746 9.767 1.00 0.00 O ATOM 345 CB VAL A 24 -3.844 2.381 7.391 1.00 0.00 C ATOM 346 CG1 VAL A 24 -2.589 1.899 6.682 1.00 0.00 C ATOM 347 CG2 VAL A 24 -4.840 2.953 6.391 1.00 0.00 C ATOM 0 H VAL A 24 -5.005 0.330 6.405 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.723 0.867 8.916 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.567 3.179 8.079 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.161 2.718 6.104 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.863 1.557 7.420 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.842 1.076 6.013 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.366 3.754 5.823 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.163 2.167 5.709 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.704 3.349 6.924 1.00 0.00 H new ATOM 357 N GLY A 25 -6.824 1.155 8.826 1.00 0.00 N ATOM 358 CA GLY A 25 -8.019 1.553 9.548 1.00 0.00 C ATOM 359 C GLY A 25 -8.580 2.873 9.062 1.00 0.00 C ATOM 360 O GLY A 25 -9.172 3.625 9.838 1.00 0.00 O ATOM 0 H GLY A 25 -6.956 0.373 8.185 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.778 0.778 9.441 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.789 1.629 10.611 1.00 0.00 H new ATOM 364 N GLY A 26 -8.391 3.153 7.776 1.00 0.00 N ATOM 365 CA GLY A 26 -8.869 4.396 7.201 1.00 0.00 C ATOM 366 C GLY A 26 -8.264 5.609 7.878 1.00 0.00 C ATOM 367 O GLY A 26 -8.954 6.597 8.128 1.00 0.00 O ATOM 0 H GLY A 26 -7.912 2.537 7.119 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.630 4.418 6.138 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.955 4.439 7.284 1.00 0.00 H new ATOM 371 N GLU A 27 -6.978 5.526 8.182 1.00 0.00 N ATOM 372 CA GLU A 27 -6.302 6.578 8.925 1.00 0.00 C ATOM 373 C GLU A 27 -5.543 7.522 7.994 1.00 0.00 C ATOM 374 O GLU A 27 -5.397 8.709 8.290 1.00 0.00 O ATOM 375 CB GLU A 27 -5.356 5.954 9.954 1.00 0.00 C ATOM 376 CG GLU A 27 -4.678 6.962 10.866 1.00 0.00 C ATOM 377 CD GLU A 27 -4.068 6.312 12.089 1.00 0.00 C ATOM 378 OE1 GLU A 27 -4.784 6.173 13.101 1.00 0.00 O ATOM 379 OE2 GLU A 27 -2.880 5.930 12.045 1.00 0.00 O ATOM 0 H GLU A 27 -6.381 4.740 7.925 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.055 7.172 9.444 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.917 5.247 10.565 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.590 5.383 9.428 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.901 7.486 10.310 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.405 7.711 11.180 1.00 0.00 H new ATOM 386 N ILE A 28 -5.069 7.004 6.865 1.00 0.00 N ATOM 387 CA ILE A 28 -4.281 7.816 5.948 1.00 0.00 C ATOM 388 C ILE A 28 -4.763 7.657 4.509 1.00 0.00 C ATOM 389 O ILE A 28 -5.164 6.571 4.099 1.00 0.00 O ATOM 390 CB ILE A 28 -2.750 7.501 6.030 1.00 0.00 C ATOM 391 CG1 ILE A 28 -2.228 6.804 4.754 1.00 0.00 C ATOM 392 CG2 ILE A 28 -2.429 6.655 7.257 1.00 0.00 C ATOM 393 CD1 ILE A 28 -2.368 5.293 4.745 1.00 0.00 C ATOM 0 H ILE A 28 -5.215 6.039 6.567 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.426 8.850 6.261 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.238 8.459 6.118 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.761 7.208 3.894 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.176 7.057 4.625 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.359 6.451 7.289 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.723 7.194 8.158 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.976 5.714 7.203 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.974 4.897 3.809 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.810 4.871 5.581 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.420 5.025 4.838 1.00 0.00 H new ATOM 405 N GLY A 29 -4.756 8.765 3.775 1.00 0.00 N ATOM 406 CA GLY A 29 -4.916 8.730 2.331 1.00 0.00 C ATOM 407 C GLY A 29 -6.255 8.210 1.853 1.00 0.00 C ATOM 408 O GLY A 29 -6.346 7.107 1.325 1.00 0.00 O ATOM 0 H GLY A 29 -4.640 9.702 4.162 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.772 9.737 1.939 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.128 8.107 1.907 1.00 0.00 H new ATOM 412 N SER A 30 -7.296 9.001 2.013 1.00 0.00 N ATOM 413 CA SER A 30 -8.567 8.679 1.388 1.00 0.00 C ATOM 414 C SER A 30 -8.665 9.424 0.064 1.00 0.00 C ATOM 415 O SER A 30 -9.598 9.236 -0.714 1.00 0.00 O ATOM 416 CB SER A 30 -9.733 9.059 2.301 1.00 0.00 C ATOM 417 OG SER A 30 -9.302 9.214 3.644 1.00 0.00 O ATOM 0 H SER A 30 -7.291 9.861 2.562 1.00 0.00 H new ATOM 0 HA SER A 30 -8.621 7.605 1.211 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.185 9.987 1.952 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.504 8.290 2.250 1.00 0.00 H new ATOM 0 HG SER A 30 -9.325 8.345 4.097 1.00 0.00 H new ATOM 423 N THR A 31 -7.671 10.271 -0.181 1.00 0.00 N ATOM 424 CA THR A 31 -7.642 11.110 -1.365 1.00 0.00 C ATOM 425 C THR A 31 -6.390 10.859 -2.202 1.00 0.00 C ATOM 426 O THR A 31 -6.099 11.616 -3.129 1.00 0.00 O ATOM 427 CB THR A 31 -7.681 12.595 -0.961 1.00 0.00 C ATOM 428 OG1 THR A 31 -6.664 12.850 0.015 1.00 0.00 O ATOM 429 CG2 THR A 31 -9.038 12.977 -0.392 1.00 0.00 C ATOM 0 H THR A 31 -6.867 10.392 0.435 1.00 0.00 H new ATOM 0 HA THR A 31 -8.517 10.859 -1.964 1.00 0.00 H new ATOM 0 HB THR A 31 -7.504 13.197 -1.853 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.687 13.796 0.272 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.033 14.032 -0.116 1.00 0.00 H new ATOM 0 HG22 THR A 31 -9.809 12.801 -1.142 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.246 12.372 0.491 1.00 0.00 H new ATOM 437 N TRP A 32 -5.657 9.788 -1.898 1.00 0.00 N ATOM 438 CA TRP A 32 -4.396 9.523 -2.587 1.00 0.00 C ATOM 439 C TRP A 32 -4.636 9.086 -4.037 1.00 0.00 C ATOM 440 O TRP A 32 -3.711 9.055 -4.851 1.00 0.00 O ATOM 441 CB TRP A 32 -3.545 8.490 -1.833 1.00 0.00 C ATOM 442 CG TRP A 32 -4.178 7.144 -1.718 1.00 0.00 C ATOM 443 CD1 TRP A 32 -4.941 6.533 -2.652 1.00 0.00 C ATOM 444 CD2 TRP A 32 -4.075 6.232 -0.624 1.00 0.00 C ATOM 445 NE1 TRP A 32 -5.347 5.317 -2.215 1.00 0.00 N ATOM 446 CE2 TRP A 32 -4.831 5.097 -0.965 1.00 0.00 C ATOM 447 CE3 TRP A 32 -3.427 6.267 0.613 1.00 0.00 C ATOM 448 CZ2 TRP A 32 -4.957 4.003 -0.115 1.00 0.00 C ATOM 449 CZ3 TRP A 32 -3.552 5.178 1.457 1.00 0.00 C ATOM 450 CH2 TRP A 32 -4.312 4.060 1.089 1.00 0.00 C ATOM 0 H TRP A 32 -5.910 9.099 -1.190 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.835 10.458 -2.607 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.586 8.386 -2.340 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.337 8.868 -0.832 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.192 6.956 -3.613 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -5.941 4.670 -2.733 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.841 7.126 0.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.543 3.140 -0.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -3.055 5.190 2.416 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -4.390 3.226 1.771 1.00 0.00 H new ATOM 461 N GLY A 33 -5.880 8.747 -4.351 1.00 0.00 N ATOM 462 CA GLY A 33 -6.202 8.294 -5.682 1.00 0.00 C ATOM 463 C GLY A 33 -5.951 6.816 -5.861 1.00 0.00 C ATOM 464 O GLY A 33 -6.590 5.978 -5.224 1.00 0.00 O ATOM 0 H GLY A 33 -6.669 8.779 -3.705 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.249 8.511 -5.894 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.608 8.851 -6.407 1.00 0.00 H new ATOM 468 N ASN A 34 -5.003 6.500 -6.722 1.00 0.00 N ATOM 469 CA ASN A 34 -4.629 5.128 -6.975 1.00 0.00 C ATOM 470 C ASN A 34 -3.121 4.972 -6.857 1.00 0.00 C ATOM 471 O ASN A 34 -2.409 5.953 -6.649 1.00 0.00 O ATOM 472 CB ASN A 34 -5.130 4.685 -8.352 1.00 0.00 C ATOM 473 CG ASN A 34 -4.829 5.703 -9.439 1.00 0.00 C ATOM 474 OD1 ASN A 34 -5.618 6.613 -9.685 1.00 0.00 O ATOM 475 ND2 ASN A 34 -3.695 5.553 -10.101 1.00 0.00 N ATOM 0 H ASN A 34 -4.475 7.185 -7.262 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.096 4.485 -6.229 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.668 3.733 -8.613 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.206 4.516 -8.306 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.449 6.205 -10.845 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.066 4.785 -9.867 1.00 0.00 H new ATOM 482 N ALA A 35 -2.648 3.744 -7.015 1.00 0.00 N ATOM 483 CA ALA A 35 -1.254 3.384 -6.742 1.00 0.00 C ATOM 484 C ALA A 35 -0.232 4.281 -7.448 1.00 0.00 C ATOM 485 O ALA A 35 0.867 4.498 -6.941 1.00 0.00 O ATOM 486 CB ALA A 35 -1.029 1.936 -7.136 1.00 0.00 C ATOM 0 H ALA A 35 -3.219 2.962 -7.337 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.094 3.529 -5.674 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.007 1.661 -6.936 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.693 1.294 -6.557 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.238 1.811 -8.198 1.00 0.00 H new ATOM 492 N ASN A 36 -0.597 4.799 -8.610 1.00 0.00 N ATOM 493 CA ASN A 36 0.319 5.605 -9.420 1.00 0.00 C ATOM 494 C ASN A 36 0.430 7.023 -8.879 1.00 0.00 C ATOM 495 O ASN A 36 1.482 7.657 -8.952 1.00 0.00 O ATOM 496 CB ASN A 36 -0.182 5.651 -10.863 1.00 0.00 C ATOM 497 CG ASN A 36 0.789 6.337 -11.810 1.00 0.00 C ATOM 498 OD1 ASN A 36 0.744 7.553 -12.001 1.00 0.00 O ATOM 499 ND2 ASN A 36 1.662 5.559 -12.424 1.00 0.00 N ATOM 0 H ASN A 36 -1.523 4.678 -9.019 1.00 0.00 H new ATOM 0 HA ASN A 36 1.306 5.144 -9.380 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.362 4.634 -11.211 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.139 6.172 -10.893 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.329 5.961 -13.082 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.669 4.556 -12.240 1.00 0.00 H new ATOM 506 N ASN A 37 -0.657 7.489 -8.297 1.00 0.00 N ATOM 507 CA ASN A 37 -0.796 8.883 -7.911 1.00 0.00 C ATOM 508 C ASN A 37 -0.543 9.044 -6.413 1.00 0.00 C ATOM 509 O ASN A 37 -0.739 10.117 -5.846 1.00 0.00 O ATOM 510 CB ASN A 37 -2.209 9.352 -8.291 1.00 0.00 C ATOM 511 CG ASN A 37 -2.397 10.855 -8.232 1.00 0.00 C ATOM 512 OD1 ASN A 37 -2.076 11.569 -9.185 1.00 0.00 O ATOM 513 ND2 ASN A 37 -2.956 11.341 -7.136 1.00 0.00 N ATOM 0 H ASN A 37 -1.470 6.914 -8.077 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.061 9.496 -8.433 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.436 9.007 -9.300 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.929 8.880 -7.623 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.137 12.342 -7.056 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.206 10.715 -6.371 1.00 0.00 H new ATOM 520 N TRP A 38 -0.062 7.971 -5.798 1.00 0.00 N ATOM 521 CA TRP A 38 0.108 7.909 -4.352 1.00 0.00 C ATOM 522 C TRP A 38 0.984 9.021 -3.808 1.00 0.00 C ATOM 523 O TRP A 38 0.488 9.926 -3.149 1.00 0.00 O ATOM 524 CB TRP A 38 0.699 6.575 -3.936 1.00 0.00 C ATOM 525 CG TRP A 38 -0.265 5.735 -3.193 1.00 0.00 C ATOM 526 CD1 TRP A 38 -1.538 5.430 -3.560 1.00 0.00 C ATOM 527 CD2 TRP A 38 -0.030 5.094 -1.944 1.00 0.00 C ATOM 528 NE1 TRP A 38 -2.119 4.641 -2.611 1.00 0.00 N ATOM 529 CE2 TRP A 38 -1.210 4.423 -1.595 1.00 0.00 C ATOM 530 CE3 TRP A 38 1.069 5.025 -1.084 1.00 0.00 C ATOM 531 CZ2 TRP A 38 -1.317 3.694 -0.410 1.00 0.00 C ATOM 532 CZ3 TRP A 38 0.957 4.302 0.079 1.00 0.00 C ATOM 533 CH2 TRP A 38 -0.228 3.655 0.406 1.00 0.00 C ATOM 0 H TRP A 38 0.221 7.121 -6.286 1.00 0.00 H new ATOM 0 HA TRP A 38 -0.890 8.030 -3.930 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.036 6.038 -4.823 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.578 6.749 -3.316 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -2.018 5.763 -4.468 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.069 4.272 -2.646 1.00 0.00 H new ATOM 0 HE3 TRP A 38 1.991 5.531 -1.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.230 3.180 -0.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.802 4.236 0.748 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.287 3.105 1.334 1.00 0.00 H new ATOM 544 N ALA A 39 2.284 8.943 -4.083 1.00 0.00 N ATOM 545 CA ALA A 39 3.251 9.874 -3.510 1.00 0.00 C ATOM 546 C ALA A 39 2.820 11.322 -3.727 1.00 0.00 C ATOM 547 O ALA A 39 2.937 12.147 -2.827 1.00 0.00 O ATOM 548 CB ALA A 39 4.642 9.629 -4.090 1.00 0.00 C ATOM 0 H ALA A 39 2.692 8.242 -4.701 1.00 0.00 H new ATOM 0 HA ALA A 39 3.291 9.697 -2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.349 10.333 -3.650 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.956 8.610 -3.864 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.615 9.769 -5.171 1.00 0.00 H new ATOM 554 N ALA A 40 2.281 11.612 -4.908 1.00 0.00 N ATOM 555 CA ALA A 40 1.819 12.958 -5.230 1.00 0.00 C ATOM 556 C ALA A 40 0.636 13.369 -4.349 1.00 0.00 C ATOM 557 O ALA A 40 0.681 14.401 -3.679 1.00 0.00 O ATOM 558 CB ALA A 40 1.443 13.039 -6.701 1.00 0.00 C ATOM 0 H ALA A 40 2.154 10.932 -5.658 1.00 0.00 H new ATOM 0 HA ALA A 40 2.634 13.654 -5.031 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.099 14.047 -6.934 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.314 12.802 -7.313 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.646 12.326 -6.913 1.00 0.00 H new ATOM 564 N ALA A 41 -0.411 12.549 -4.343 1.00 0.00 N ATOM 565 CA ALA A 41 -1.615 12.844 -3.568 1.00 0.00 C ATOM 566 C ALA A 41 -1.325 12.817 -2.072 1.00 0.00 C ATOM 567 O ALA A 41 -1.849 13.631 -1.311 1.00 0.00 O ATOM 568 CB ALA A 41 -2.717 11.856 -3.910 1.00 0.00 C ATOM 0 H ALA A 41 -0.451 11.674 -4.866 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.948 13.848 -3.829 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.607 12.088 -3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.952 11.926 -4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.384 10.844 -3.678 1.00 0.00 H new ATOM 574 N ALA A 42 -0.485 11.879 -1.663 1.00 0.00 N ATOM 575 CA ALA A 42 -0.077 11.752 -0.275 1.00 0.00 C ATOM 576 C ALA A 42 0.643 13.013 0.195 1.00 0.00 C ATOM 577 O ALA A 42 0.383 13.513 1.288 1.00 0.00 O ATOM 578 CB ALA A 42 0.812 10.534 -0.114 1.00 0.00 C ATOM 0 H ALA A 42 -0.068 11.186 -2.284 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.965 11.626 0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.117 10.441 0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.263 9.641 -0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.696 10.643 -0.742 1.00 0.00 H new ATOM 584 N GLN A 43 1.535 13.533 -0.640 1.00 0.00 N ATOM 585 CA GLN A 43 2.241 14.769 -0.329 1.00 0.00 C ATOM 586 C GLN A 43 1.275 15.944 -0.310 1.00 0.00 C ATOM 587 O GLN A 43 1.402 16.843 0.519 1.00 0.00 O ATOM 588 CB GLN A 43 3.363 15.019 -1.335 1.00 0.00 C ATOM 589 CG GLN A 43 4.538 14.070 -1.175 1.00 0.00 C ATOM 590 CD GLN A 43 5.606 14.282 -2.228 1.00 0.00 C ATOM 591 OE1 GLN A 43 5.315 14.671 -3.360 1.00 0.00 O ATOM 592 NE2 GLN A 43 6.852 14.036 -1.861 1.00 0.00 N ATOM 0 H GLN A 43 1.786 13.118 -1.537 1.00 0.00 H new ATOM 0 HA GLN A 43 2.685 14.668 0.661 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.964 14.924 -2.345 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.716 16.045 -1.227 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.976 14.204 -0.186 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.180 13.042 -1.228 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.051 13.715 -0.913 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.615 14.167 -2.525 1.00 0.00 H new ATOM 601 N GLY A 44 0.300 15.920 -1.212 1.00 0.00 N ATOM 602 CA GLY A 44 -0.723 16.948 -1.226 1.00 0.00 C ATOM 603 C GLY A 44 -1.552 16.946 0.045 1.00 0.00 C ATOM 604 O GLY A 44 -1.935 18.002 0.547 1.00 0.00 O ATOM 0 H GLY A 44 0.200 15.206 -1.934 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.254 17.924 -1.351 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.377 16.797 -2.085 1.00 0.00 H new ATOM 608 N ALA A 45 -1.827 15.754 0.563 1.00 0.00 N ATOM 609 CA ALA A 45 -2.551 15.607 1.820 1.00 0.00 C ATOM 610 C ALA A 45 -1.653 15.978 2.999 1.00 0.00 C ATOM 611 O ALA A 45 -2.118 16.494 4.020 1.00 0.00 O ATOM 612 CB ALA A 45 -3.069 14.183 1.969 1.00 0.00 C ATOM 0 H ALA A 45 -1.558 14.871 0.129 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.404 16.285 1.811 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.607 14.088 2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.741 13.952 1.143 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.230 13.488 1.959 1.00 0.00 H new ATOM 618 N GLY A 46 -0.365 15.705 2.855 1.00 0.00 N ATOM 619 CA GLY A 46 0.591 16.076 3.875 1.00 0.00 C ATOM 620 C GLY A 46 1.271 14.881 4.512 1.00 0.00 C ATOM 621 O GLY A 46 1.361 14.795 5.738 1.00 0.00 O ATOM 0 H GLY A 46 0.036 15.231 2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.348 16.727 3.437 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.084 16.653 4.648 1.00 0.00 H new ATOM 625 N PHE A 47 1.719 13.942 3.692 1.00 0.00 N ATOM 626 CA PHE A 47 2.478 12.802 4.188 1.00 0.00 C ATOM 627 C PHE A 47 3.953 12.999 3.869 1.00 0.00 C ATOM 628 O PHE A 47 4.300 13.466 2.781 1.00 0.00 O ATOM 629 CB PHE A 47 2.012 11.474 3.561 1.00 0.00 C ATOM 630 CG PHE A 47 0.545 11.143 3.715 1.00 0.00 C ATOM 631 CD1 PHE A 47 -0.309 11.929 4.473 1.00 0.00 C ATOM 632 CD2 PHE A 47 0.025 10.026 3.078 1.00 0.00 C ATOM 633 CE1 PHE A 47 -1.648 11.607 4.588 1.00 0.00 C ATOM 634 CE2 PHE A 47 -1.311 9.699 3.184 1.00 0.00 C ATOM 635 CZ PHE A 47 -2.149 10.491 3.943 1.00 0.00 C ATOM 0 H PHE A 47 1.571 13.946 2.683 1.00 0.00 H new ATOM 0 HA PHE A 47 2.314 12.746 5.264 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.249 11.495 2.497 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.594 10.664 4.001 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.076 12.802 4.979 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.678 9.400 2.488 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.303 12.227 5.182 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.699 8.828 2.676 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.195 10.239 4.033 1.00 0.00 H new ATOM 645 N THR A 48 4.816 12.661 4.814 1.00 0.00 N ATOM 646 CA THR A 48 6.248 12.681 4.577 1.00 0.00 C ATOM 647 C THR A 48 6.662 11.399 3.872 1.00 0.00 C ATOM 648 O THR A 48 6.637 10.319 4.472 1.00 0.00 O ATOM 649 CB THR A 48 7.036 12.794 5.894 1.00 0.00 C ATOM 650 OG1 THR A 48 6.460 13.810 6.725 1.00 0.00 O ATOM 651 CG2 THR A 48 8.494 13.125 5.624 1.00 0.00 C ATOM 0 H THR A 48 4.548 12.369 5.754 1.00 0.00 H new ATOM 0 HA THR A 48 6.473 13.551 3.960 1.00 0.00 H new ATOM 0 HB THR A 48 6.984 11.833 6.405 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.966 13.874 7.562 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.031 13.200 6.569 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.939 12.338 5.015 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.559 14.075 5.093 1.00 0.00 H new ATOM 659 N VAL A 49 7.017 11.493 2.604 1.00 0.00 N ATOM 660 CA VAL A 49 7.395 10.304 1.870 1.00 0.00 C ATOM 661 C VAL A 49 8.911 10.143 1.827 1.00 0.00 C ATOM 662 O VAL A 49 9.660 11.103 1.627 1.00 0.00 O ATOM 663 CB VAL A 49 6.797 10.266 0.433 1.00 0.00 C ATOM 664 CG1 VAL A 49 5.528 11.097 0.346 1.00 0.00 C ATOM 665 CG2 VAL A 49 7.801 10.695 -0.629 1.00 0.00 C ATOM 0 H VAL A 49 7.051 12.362 2.071 1.00 0.00 H new ATOM 0 HA VAL A 49 6.969 9.460 2.412 1.00 0.00 H new ATOM 0 HB VAL A 49 6.543 9.226 0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.133 11.052 -0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.787 10.704 1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.753 12.132 0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.332 10.650 -1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.128 11.715 -0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.662 10.027 -0.607 1.00 0.00 H new ATOM 675 N ASN A 50 9.344 8.929 2.092 1.00 0.00 N ATOM 676 CA ASN A 50 10.708 8.517 1.858 1.00 0.00 C ATOM 677 C ASN A 50 10.600 7.317 0.947 1.00 0.00 C ATOM 678 O ASN A 50 9.727 7.276 0.083 1.00 0.00 O ATOM 679 CB ASN A 50 11.423 8.104 3.156 1.00 0.00 C ATOM 680 CG ASN A 50 11.219 9.055 4.317 1.00 0.00 C ATOM 681 OD1 ASN A 50 11.190 10.274 4.154 1.00 0.00 O ATOM 682 ND2 ASN A 50 11.060 8.489 5.509 1.00 0.00 N ATOM 0 H ASN A 50 8.752 8.195 2.480 1.00 0.00 H new ATOM 0 HA ASN A 50 11.289 9.336 1.434 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.074 7.114 3.449 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.491 8.019 2.956 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.907 9.070 6.333 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.091 7.474 5.600 1.00 0.00 H new ATOM 689 N HIS A 51 11.435 6.323 1.159 1.00 0.00 N ATOM 690 CA HIS A 51 11.273 5.057 0.468 1.00 0.00 C ATOM 691 C HIS A 51 12.028 3.937 1.167 1.00 0.00 C ATOM 692 O HIS A 51 13.179 3.641 0.845 1.00 0.00 O ATOM 693 CB HIS A 51 11.668 5.150 -1.020 1.00 0.00 C ATOM 694 CG HIS A 51 12.781 6.104 -1.336 1.00 0.00 C ATOM 695 ND1 HIS A 51 12.589 7.250 -2.077 1.00 0.00 N ATOM 696 CD2 HIS A 51 14.098 6.069 -1.038 1.00 0.00 C ATOM 697 CE1 HIS A 51 13.740 7.878 -2.218 1.00 0.00 C ATOM 698 NE2 HIS A 51 14.674 7.183 -1.597 1.00 0.00 N ATOM 0 H HIS A 51 12.228 6.363 1.799 1.00 0.00 H new ATOM 0 HA HIS A 51 10.211 4.816 0.504 1.00 0.00 H new ATOM 0 HB2 HIS A 51 11.956 4.157 -1.364 1.00 0.00 H new ATOM 0 HB3 HIS A 51 10.788 5.443 -1.593 1.00 0.00 H new ATOM 0 HD1 HIS A 51 11.696 7.564 -2.457 1.00 0.00 H new ATOM 0 HD2 HIS A 51 14.604 5.306 -0.466 1.00 0.00 H new ATOM 0 HE1 HIS A 51 13.892 8.805 -2.752 1.00 0.00 H new ATOM 707 N THR A 52 11.363 3.338 2.149 1.00 0.00 N ATOM 708 CA THR A 52 11.909 2.230 2.920 1.00 0.00 C ATOM 709 C THR A 52 10.777 1.510 3.658 1.00 0.00 C ATOM 710 O THR A 52 10.257 2.035 4.637 1.00 0.00 O ATOM 711 CB THR A 52 12.948 2.718 3.959 1.00 0.00 C ATOM 712 OG1 THR A 52 14.038 3.381 3.305 1.00 0.00 O ATOM 713 CG2 THR A 52 13.490 1.556 4.782 1.00 0.00 C ATOM 0 H THR A 52 10.422 3.611 2.434 1.00 0.00 H new ATOM 0 HA THR A 52 12.404 1.553 2.224 1.00 0.00 H new ATOM 0 HB THR A 52 12.443 3.417 4.626 1.00 0.00 H new ATOM 0 HG1 THR A 52 14.005 3.194 2.344 1.00 0.00 H new ATOM 0 HG21 THR A 52 14.217 1.929 5.503 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.670 1.071 5.311 1.00 0.00 H new ATOM 0 HG23 THR A 52 13.971 0.835 4.121 1.00 0.00 H new ATOM 721 N PRO A 53 10.362 0.319 3.196 1.00 0.00 N ATOM 722 CA PRO A 53 9.310 -0.464 3.861 1.00 0.00 C ATOM 723 C PRO A 53 9.638 -0.741 5.328 1.00 0.00 C ATOM 724 O PRO A 53 10.796 -0.961 5.686 1.00 0.00 O ATOM 725 CB PRO A 53 9.274 -1.775 3.065 1.00 0.00 C ATOM 726 CG PRO A 53 10.555 -1.803 2.304 1.00 0.00 C ATOM 727 CD PRO A 53 10.878 -0.372 2.005 1.00 0.00 C ATOM 0 HA PRO A 53 8.357 0.065 3.873 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.190 -2.636 3.728 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.416 -1.805 2.394 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.348 -2.270 2.888 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.453 -2.382 1.386 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.949 -0.215 1.875 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.392 -0.027 1.092 1.00 0.00 H new ATOM 735 N SER A 54 8.619 -0.726 6.174 1.00 0.00 N ATOM 736 CA SER A 54 8.807 -0.904 7.607 1.00 0.00 C ATOM 737 C SER A 54 7.539 -1.482 8.227 1.00 0.00 C ATOM 738 O SER A 54 6.449 -1.325 7.673 1.00 0.00 O ATOM 739 CB SER A 54 9.161 0.433 8.267 1.00 0.00 C ATOM 740 OG SER A 54 10.331 0.998 7.692 1.00 0.00 O ATOM 0 H SER A 54 7.648 -0.592 5.891 1.00 0.00 H new ATOM 0 HA SER A 54 9.630 -1.599 7.773 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.328 1.127 8.158 1.00 0.00 H new ATOM 0 HB3 SER A 54 9.314 0.284 9.336 1.00 0.00 H new ATOM 0 HG SER A 54 10.532 1.851 8.131 1.00 0.00 H new ATOM 746 N LYS A 55 7.684 -2.148 9.367 1.00 0.00 N ATOM 747 CA LYS A 55 6.553 -2.782 10.036 1.00 0.00 C ATOM 748 C LYS A 55 5.535 -1.731 10.480 1.00 0.00 C ATOM 749 O LYS A 55 5.747 -1.026 11.468 1.00 0.00 O ATOM 750 CB LYS A 55 7.046 -3.589 11.246 1.00 0.00 C ATOM 751 CG LYS A 55 5.937 -4.245 12.051 1.00 0.00 C ATOM 752 CD LYS A 55 6.460 -4.914 13.320 1.00 0.00 C ATOM 753 CE LYS A 55 7.229 -6.201 13.033 1.00 0.00 C ATOM 754 NZ LYS A 55 8.671 -5.967 12.737 1.00 0.00 N ATOM 0 H LYS A 55 8.576 -2.263 9.849 1.00 0.00 H new ATOM 0 HA LYS A 55 6.065 -3.458 9.334 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.733 -4.361 10.898 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.614 -2.929 11.902 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.193 -3.495 12.319 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.433 -4.988 11.433 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.109 -4.218 13.851 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.622 -5.136 13.981 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.144 -6.867 13.892 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.769 -6.711 12.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.911 -6.394 11.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.857 -4.944 12.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.253 -6.399 13.483 1.00 0.00 H new ATOM 768 N GLY A 56 4.446 -1.615 9.731 1.00 0.00 N ATOM 769 CA GLY A 56 3.424 -0.643 10.060 1.00 0.00 C ATOM 770 C GLY A 56 3.335 0.472 9.037 1.00 0.00 C ATOM 771 O GLY A 56 2.518 1.384 9.175 1.00 0.00 O ATOM 0 H GLY A 56 4.253 -2.177 8.902 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.459 -1.145 10.131 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.635 -0.216 11.041 1.00 0.00 H new ATOM 775 N ALA A 57 4.183 0.410 8.015 1.00 0.00 N ATOM 776 CA ALA A 57 4.159 1.404 6.951 1.00 0.00 C ATOM 777 C ALA A 57 3.581 0.812 5.674 1.00 0.00 C ATOM 778 O ALA A 57 2.919 -0.224 5.701 1.00 0.00 O ATOM 779 CB ALA A 57 5.551 1.961 6.697 1.00 0.00 C ATOM 0 H ALA A 57 4.892 -0.315 7.902 1.00 0.00 H new ATOM 0 HA ALA A 57 3.517 2.224 7.272 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.507 2.701 5.898 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.927 2.430 7.606 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.219 1.151 6.404 1.00 0.00 H new ATOM 785 N ILE A 58 3.831 1.474 4.555 1.00 0.00 N ATOM 786 CA ILE A 58 3.245 1.070 3.290 1.00 0.00 C ATOM 787 C ILE A 58 4.323 0.982 2.210 1.00 0.00 C ATOM 788 O ILE A 58 5.483 1.301 2.461 1.00 0.00 O ATOM 789 CB ILE A 58 2.147 2.064 2.857 1.00 0.00 C ATOM 790 CG1 ILE A 58 1.395 2.596 4.082 1.00 0.00 C ATOM 791 CG2 ILE A 58 1.172 1.377 1.916 1.00 0.00 C ATOM 792 CD1 ILE A 58 0.707 3.925 3.864 1.00 0.00 C ATOM 0 H ILE A 58 4.436 2.293 4.499 1.00 0.00 H new ATOM 0 HA ILE A 58 2.793 0.087 3.421 1.00 0.00 H new ATOM 0 HB ILE A 58 2.618 2.902 2.342 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.650 1.860 4.384 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.098 2.696 4.909 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.399 2.084 1.614 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.706 1.023 1.034 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.711 0.530 2.425 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.200 4.227 4.780 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.447 4.678 3.594 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.023 3.829 3.060 1.00 0.00 H new ATOM 804 N LEU A 59 3.939 0.527 1.027 1.00 0.00 N ATOM 805 CA LEU A 59 4.859 0.349 -0.083 1.00 0.00 C ATOM 806 C LEU A 59 4.259 0.975 -1.341 1.00 0.00 C ATOM 807 O LEU A 59 3.046 0.898 -1.539 1.00 0.00 O ATOM 808 CB LEU A 59 5.072 -1.150 -0.303 1.00 0.00 C ATOM 809 CG LEU A 59 6.327 -1.534 -1.061 1.00 0.00 C ATOM 810 CD1 LEU A 59 7.527 -1.532 -0.128 1.00 0.00 C ATOM 811 CD2 LEU A 59 6.149 -2.885 -1.732 1.00 0.00 C ATOM 0 H LEU A 59 2.976 0.270 0.810 1.00 0.00 H new ATOM 0 HA LEU A 59 5.812 0.830 0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.093 -1.641 0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.210 -1.545 -0.841 1.00 0.00 H new ATOM 0 HG LEU A 59 6.508 -0.796 -1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.422 -1.810 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.657 -0.536 0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.364 -2.249 0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.059 -3.146 -2.272 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.946 -3.643 -0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.314 -2.837 -2.431 1.00 0.00 H new ATOM 823 N GLN A 60 5.085 1.592 -2.185 1.00 0.00 N ATOM 824 CA GLN A 60 4.564 2.262 -3.375 1.00 0.00 C ATOM 825 C GLN A 60 5.589 2.324 -4.503 1.00 0.00 C ATOM 826 O GLN A 60 6.773 2.562 -4.287 1.00 0.00 O ATOM 827 CB GLN A 60 4.092 3.674 -3.002 1.00 0.00 C ATOM 828 CG GLN A 60 3.264 4.390 -4.065 1.00 0.00 C ATOM 829 CD GLN A 60 4.090 5.072 -5.143 1.00 0.00 C ATOM 830 OE1 GLN A 60 5.218 5.498 -4.909 1.00 0.00 O ATOM 831 NE2 GLN A 60 3.516 5.194 -6.331 1.00 0.00 N ATOM 0 H GLN A 60 6.097 1.642 -2.071 1.00 0.00 H new ATOM 0 HA GLN A 60 3.723 1.676 -3.746 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.502 3.612 -2.087 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.967 4.283 -2.776 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.596 3.669 -4.536 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.635 5.136 -3.579 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.577 4.826 -6.484 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.013 5.656 -7.093 1.00 0.00 H new ATOM 840 N SER A 61 5.099 2.084 -5.710 1.00 0.00 N ATOM 841 CA SER A 61 5.874 2.260 -6.925 1.00 0.00 C ATOM 842 C SER A 61 4.938 2.756 -8.021 1.00 0.00 C ATOM 843 O SER A 61 3.792 2.316 -8.098 1.00 0.00 O ATOM 844 CB SER A 61 6.534 0.943 -7.340 1.00 0.00 C ATOM 845 OG SER A 61 7.370 1.116 -8.471 1.00 0.00 O ATOM 0 H SER A 61 4.146 1.760 -5.873 1.00 0.00 H new ATOM 0 HA SER A 61 6.668 2.987 -6.755 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.120 0.551 -6.509 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.765 0.204 -7.564 1.00 0.00 H new ATOM 0 HG SER A 61 7.778 0.258 -8.710 1.00 0.00 H new ATOM 851 N SER A 62 5.404 3.674 -8.851 1.00 0.00 N ATOM 852 CA SER A 62 4.559 4.255 -9.884 1.00 0.00 C ATOM 853 C SER A 62 4.549 3.402 -11.152 1.00 0.00 C ATOM 854 O SER A 62 3.702 3.586 -12.025 1.00 0.00 O ATOM 855 CB SER A 62 5.024 5.677 -10.195 1.00 0.00 C ATOM 856 OG SER A 62 4.965 6.491 -9.033 1.00 0.00 O ATOM 0 H SER A 62 6.359 4.033 -8.831 1.00 0.00 H new ATOM 0 HA SER A 62 3.537 4.286 -9.507 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.044 5.655 -10.578 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.398 6.106 -10.978 1.00 0.00 H new ATOM 0 HG SER A 62 5.268 7.397 -9.252 1.00 0.00 H new ATOM 862 N GLU A 63 5.477 2.457 -11.245 1.00 0.00 N ATOM 863 CA GLU A 63 5.550 1.584 -12.409 1.00 0.00 C ATOM 864 C GLU A 63 4.458 0.520 -12.348 1.00 0.00 C ATOM 865 O GLU A 63 3.860 0.294 -11.293 1.00 0.00 O ATOM 866 CB GLU A 63 6.922 0.917 -12.502 1.00 0.00 C ATOM 867 CG GLU A 63 8.072 1.900 -12.632 1.00 0.00 C ATOM 868 CD GLU A 63 9.378 1.217 -12.976 1.00 0.00 C ATOM 869 OE1 GLU A 63 10.070 0.736 -12.054 1.00 0.00 O ATOM 870 OE2 GLU A 63 9.719 1.147 -14.179 1.00 0.00 O ATOM 0 H GLU A 63 6.185 2.277 -10.533 1.00 0.00 H new ATOM 0 HA GLU A 63 5.399 2.195 -13.299 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.079 0.304 -11.615 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.932 0.245 -13.360 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.834 2.633 -13.403 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.187 2.447 -11.696 1.00 0.00 H new ATOM 877 N GLY A 64 4.209 -0.134 -13.476 1.00 0.00 N ATOM 878 CA GLY A 64 3.190 -1.166 -13.538 1.00 0.00 C ATOM 879 C GLY A 64 2.002 -0.734 -14.374 1.00 0.00 C ATOM 880 O GLY A 64 2.172 -0.018 -15.360 1.00 0.00 O ATOM 0 H GLY A 64 4.698 0.033 -14.355 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.619 -2.076 -13.959 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.856 -1.408 -12.529 1.00 0.00 H new ATOM 884 N PRO A 65 0.781 -1.152 -14.005 1.00 0.00 N ATOM 885 CA PRO A 65 -0.432 -0.722 -14.680 1.00 0.00 C ATOM 886 C PRO A 65 -0.848 0.647 -14.166 1.00 0.00 C ATOM 887 O PRO A 65 -0.686 1.661 -14.846 1.00 0.00 O ATOM 888 CB PRO A 65 -1.471 -1.793 -14.307 1.00 0.00 C ATOM 889 CG PRO A 65 -0.834 -2.668 -13.267 1.00 0.00 C ATOM 890 CD PRO A 65 0.488 -2.048 -12.888 1.00 0.00 C ATOM 0 HA PRO A 65 -0.314 -0.627 -15.759 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.380 -1.332 -13.921 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.756 -2.377 -15.182 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.480 -2.754 -12.393 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.686 -3.676 -13.655 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.420 -1.505 -11.945 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.264 -2.803 -12.766 1.00 0.00 H new ATOM 898 N PHE A 66 -1.377 0.664 -12.955 1.00 0.00 N ATOM 899 CA PHE A 66 -1.519 1.897 -12.212 1.00 0.00 C ATOM 900 C PHE A 66 -0.219 2.128 -11.469 1.00 0.00 C ATOM 901 O PHE A 66 0.540 3.037 -11.774 1.00 0.00 O ATOM 902 CB PHE A 66 -2.674 1.817 -11.205 1.00 0.00 C ATOM 903 CG PHE A 66 -4.010 1.486 -11.806 1.00 0.00 C ATOM 904 CD1 PHE A 66 -4.387 0.167 -12.003 1.00 0.00 C ATOM 905 CD2 PHE A 66 -4.894 2.493 -12.159 1.00 0.00 C ATOM 906 CE1 PHE A 66 -5.620 -0.140 -12.545 1.00 0.00 C ATOM 907 CE2 PHE A 66 -6.128 2.192 -12.699 1.00 0.00 C ATOM 908 CZ PHE A 66 -6.492 0.872 -12.892 1.00 0.00 C ATOM 0 H PHE A 66 -1.715 -0.166 -12.467 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.740 2.714 -12.899 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.432 1.064 -10.455 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.751 2.772 -10.685 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.710 -0.629 -11.730 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.614 3.525 -12.010 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.902 -1.172 -12.697 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.808 2.986 -12.970 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.457 0.633 -13.314 1.00 0.00 H new ATOM 918 N GLY A 67 0.048 1.248 -10.525 1.00 0.00 N ATOM 919 CA GLY A 67 1.240 1.346 -9.726 1.00 0.00 C ATOM 920 C GLY A 67 1.357 0.157 -8.803 1.00 0.00 C ATOM 921 O GLY A 67 0.783 -0.893 -9.076 1.00 0.00 O ATOM 0 H GLY A 67 -0.552 0.455 -10.296 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.115 1.399 -10.373 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.219 2.266 -9.142 1.00 0.00 H new ATOM 925 N HIS A 68 2.071 0.323 -7.709 1.00 0.00 N ATOM 926 CA HIS A 68 2.252 -0.747 -6.740 1.00 0.00 C ATOM 927 C HIS A 68 2.115 -0.213 -5.330 1.00 0.00 C ATOM 928 O HIS A 68 3.085 0.293 -4.783 1.00 0.00 O ATOM 929 CB HIS A 68 3.641 -1.381 -6.874 1.00 0.00 C ATOM 930 CG HIS A 68 3.853 -2.178 -8.126 1.00 0.00 C ATOM 931 ND1 HIS A 68 4.192 -1.614 -9.337 1.00 0.00 N ATOM 932 CD2 HIS A 68 3.798 -3.513 -8.340 1.00 0.00 C ATOM 933 CE1 HIS A 68 4.337 -2.567 -10.237 1.00 0.00 C ATOM 934 NE2 HIS A 68 4.104 -3.729 -9.660 1.00 0.00 N ATOM 0 H HIS A 68 2.540 1.195 -7.464 1.00 0.00 H new ATOM 0 HA HIS A 68 1.485 -1.496 -6.937 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.391 -0.591 -6.832 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.813 -2.029 -6.015 1.00 0.00 H new ATOM 0 HD1 HIS A 68 4.312 -0.616 -9.510 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.558 -4.269 -7.607 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.602 -2.420 -11.274 1.00 0.00 H new ATOM 943 N VAL A 69 0.929 -0.283 -4.746 1.00 0.00 N ATOM 944 CA VAL A 69 0.792 0.062 -3.350 1.00 0.00 C ATOM 945 C VAL A 69 0.372 -1.152 -2.537 1.00 0.00 C ATOM 946 O VAL A 69 -0.659 -1.777 -2.792 1.00 0.00 O ATOM 947 CB VAL A 69 -0.189 1.229 -3.144 1.00 0.00 C ATOM 948 CG1 VAL A 69 0.313 2.442 -3.897 1.00 0.00 C ATOM 949 CG2 VAL A 69 -1.597 0.869 -3.590 1.00 0.00 C ATOM 0 H VAL A 69 0.067 -0.570 -5.210 1.00 0.00 H new ATOM 0 HA VAL A 69 1.768 0.394 -2.995 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.239 1.452 -2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.379 3.271 -3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.297 2.722 -3.521 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.383 2.207 -4.959 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.259 1.720 -3.428 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.589 0.612 -4.649 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.955 0.016 -3.013 1.00 0.00 H new ATOM 959 N ALA A 70 1.211 -1.491 -1.582 1.00 0.00 N ATOM 960 CA ALA A 70 0.994 -2.645 -0.741 1.00 0.00 C ATOM 961 C ALA A 70 1.253 -2.271 0.699 1.00 0.00 C ATOM 962 O ALA A 70 2.223 -1.582 1.001 1.00 0.00 O ATOM 963 CB ALA A 70 1.902 -3.787 -1.165 1.00 0.00 C ATOM 0 H ALA A 70 2.063 -0.973 -1.368 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.039 -2.977 -0.845 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.727 -4.649 -0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.689 -4.057 -2.199 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.943 -3.476 -1.078 1.00 0.00 H new ATOM 969 N TYR A 71 0.381 -2.698 1.584 1.00 0.00 N ATOM 970 CA TYR A 71 0.545 -2.406 2.991 1.00 0.00 C ATOM 971 C TYR A 71 1.618 -3.314 3.591 1.00 0.00 C ATOM 972 O TYR A 71 1.591 -4.534 3.407 1.00 0.00 O ATOM 973 CB TYR A 71 -0.798 -2.553 3.709 1.00 0.00 C ATOM 974 CG TYR A 71 -0.682 -2.676 5.209 1.00 0.00 C ATOM 975 CD1 TYR A 71 -0.639 -1.552 6.027 1.00 0.00 C ATOM 976 CD2 TYR A 71 -0.617 -3.924 5.805 1.00 0.00 C ATOM 977 CE1 TYR A 71 -0.532 -1.675 7.400 1.00 0.00 C ATOM 978 CE2 TYR A 71 -0.510 -4.054 7.174 1.00 0.00 C ATOM 979 CZ TYR A 71 -0.469 -2.930 7.968 1.00 0.00 C ATOM 980 OH TYR A 71 -0.362 -3.066 9.333 1.00 0.00 O ATOM 0 H TYR A 71 -0.447 -3.248 1.356 1.00 0.00 H new ATOM 0 HA TYR A 71 0.879 -1.376 3.119 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.421 -1.690 3.473 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -1.311 -3.433 3.321 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.690 -0.569 5.583 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.651 -4.810 5.188 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.498 -0.794 8.024 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.458 -5.035 7.622 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.331 -4.018 9.565 1.00 0.00 H new ATOM 990 N VAL A 72 2.563 -2.710 4.297 1.00 0.00 N ATOM 991 CA VAL A 72 3.693 -3.438 4.854 1.00 0.00 C ATOM 992 C VAL A 72 3.388 -3.886 6.272 1.00 0.00 C ATOM 993 O VAL A 72 3.273 -3.063 7.183 1.00 0.00 O ATOM 994 CB VAL A 72 4.966 -2.569 4.863 1.00 0.00 C ATOM 995 CG1 VAL A 72 6.170 -3.375 5.326 1.00 0.00 C ATOM 996 CG2 VAL A 72 5.206 -1.960 3.491 1.00 0.00 C ATOM 0 H VAL A 72 2.569 -1.710 4.498 1.00 0.00 H new ATOM 0 HA VAL A 72 3.865 -4.310 4.223 1.00 0.00 H new ATOM 0 HB VAL A 72 4.821 -1.755 5.573 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.056 -2.740 5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.993 -3.747 6.335 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.326 -4.217 4.651 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.109 -1.350 3.517 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.326 -2.756 2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.355 -1.337 3.215 1.00 0.00 H new ATOM 1006 N GLU A 73 3.266 -5.187 6.461 1.00 0.00 N ATOM 1007 CA GLU A 73 2.918 -5.721 7.763 1.00 0.00 C ATOM 1008 C GLU A 73 4.159 -5.893 8.626 1.00 0.00 C ATOM 1009 O GLU A 73 4.075 -5.838 9.853 1.00 0.00 O ATOM 1010 CB GLU A 73 2.158 -7.046 7.624 1.00 0.00 C ATOM 1011 CG GLU A 73 0.867 -6.909 6.829 1.00 0.00 C ATOM 1012 CD GLU A 73 -0.070 -8.082 7.002 1.00 0.00 C ATOM 1013 OE1 GLU A 73 0.178 -9.140 6.396 1.00 0.00 O ATOM 1014 OE2 GLU A 73 -1.077 -7.943 7.729 1.00 0.00 O ATOM 0 H GLU A 73 3.402 -5.889 5.734 1.00 0.00 H new ATOM 0 HA GLU A 73 2.260 -5.007 8.258 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.802 -7.779 7.138 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.928 -7.433 8.617 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.355 -5.996 7.135 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.109 -6.800 5.772 1.00 0.00 H new ATOM 1021 N SER A 74 5.314 -6.069 7.986 1.00 0.00 N ATOM 1022 CA SER A 74 6.558 -6.258 8.715 1.00 0.00 C ATOM 1023 C SER A 74 7.748 -6.295 7.764 1.00 0.00 C ATOM 1024 O SER A 74 7.644 -6.789 6.647 1.00 0.00 O ATOM 1025 CB SER A 74 6.507 -7.561 9.523 1.00 0.00 C ATOM 1026 OG SER A 74 7.654 -7.704 10.343 1.00 0.00 O ATOM 0 H SER A 74 5.410 -6.084 6.971 1.00 0.00 H new ATOM 0 HA SER A 74 6.680 -5.414 9.394 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.611 -7.572 10.143 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.435 -8.410 8.843 1.00 0.00 H new ATOM 0 HG SER A 74 7.593 -8.542 10.847 1.00 0.00 H new ATOM 1032 N VAL A 75 8.866 -5.746 8.205 1.00 0.00 N ATOM 1033 CA VAL A 75 10.126 -5.915 7.503 1.00 0.00 C ATOM 1034 C VAL A 75 11.033 -6.811 8.339 1.00 0.00 C ATOM 1035 O VAL A 75 11.280 -6.540 9.514 1.00 0.00 O ATOM 1036 CB VAL A 75 10.823 -4.567 7.187 1.00 0.00 C ATOM 1037 CG1 VAL A 75 10.977 -3.713 8.435 1.00 0.00 C ATOM 1038 CG2 VAL A 75 12.178 -4.799 6.521 1.00 0.00 C ATOM 0 H VAL A 75 8.927 -5.177 9.049 1.00 0.00 H new ATOM 0 HA VAL A 75 9.920 -6.379 6.538 1.00 0.00 H new ATOM 0 HB VAL A 75 10.185 -4.023 6.490 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.469 -2.776 8.176 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.994 -3.502 8.855 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.579 -4.248 9.170 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.648 -3.839 6.309 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.817 -5.376 7.189 1.00 0.00 H new ATOM 0 HG23 VAL A 75 12.037 -5.347 5.590 1.00 0.00 H new ATOM 1048 N ASN A 76 11.495 -7.895 7.745 1.00 0.00 N ATOM 1049 CA ASN A 76 12.231 -8.898 8.493 1.00 0.00 C ATOM 1050 C ASN A 76 13.693 -8.500 8.630 1.00 0.00 C ATOM 1051 O ASN A 76 14.231 -7.780 7.785 1.00 0.00 O ATOM 1052 CB ASN A 76 12.121 -10.268 7.815 1.00 0.00 C ATOM 1053 CG ASN A 76 10.686 -10.736 7.679 1.00 0.00 C ATOM 1054 OD1 ASN A 76 10.125 -11.340 8.596 1.00 0.00 O ATOM 1055 ND2 ASN A 76 10.088 -10.465 6.530 1.00 0.00 N ATOM 0 H ASN A 76 11.375 -8.103 6.754 1.00 0.00 H new ATOM 0 HA ASN A 76 11.792 -8.965 9.489 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.579 -10.218 6.827 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.686 -11.001 8.391 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.123 -10.759 6.375 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.592 -9.962 5.799 1.00 0.00 H new ATOM 1062 N SER A 77 14.339 -8.979 9.688 1.00 0.00 N ATOM 1063 CA SER A 77 15.751 -8.703 9.918 1.00 0.00 C ATOM 1064 C SER A 77 16.610 -9.377 8.851 1.00 0.00 C ATOM 1065 O SER A 77 17.782 -9.051 8.672 1.00 0.00 O ATOM 1066 CB SER A 77 16.142 -9.177 11.319 1.00 0.00 C ATOM 1067 OG SER A 77 15.531 -10.420 11.621 1.00 0.00 O ATOM 0 H SER A 77 13.904 -9.563 10.402 1.00 0.00 H new ATOM 0 HA SER A 77 15.923 -7.629 9.851 1.00 0.00 H new ATOM 0 HB2 SER A 77 17.226 -9.274 11.385 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.843 -8.432 12.056 1.00 0.00 H new ATOM 0 HG SER A 77 15.796 -10.705 12.520 1.00 0.00 H new ATOM 1073 N ASP A 78 16.001 -10.323 8.145 1.00 0.00 N ATOM 1074 CA ASP A 78 16.627 -10.975 7.003 1.00 0.00 C ATOM 1075 C ASP A 78 16.889 -9.971 5.881 1.00 0.00 C ATOM 1076 O ASP A 78 17.806 -10.142 5.076 1.00 0.00 O ATOM 1077 CB ASP A 78 15.706 -12.092 6.496 1.00 0.00 C ATOM 1078 CG ASP A 78 16.128 -12.661 5.156 1.00 0.00 C ATOM 1079 OD1 ASP A 78 15.752 -12.081 4.116 1.00 0.00 O ATOM 1080 OD2 ASP A 78 16.814 -13.704 5.137 1.00 0.00 O ATOM 0 H ASP A 78 15.060 -10.659 8.349 1.00 0.00 H new ATOM 0 HA ASP A 78 17.583 -11.394 7.315 1.00 0.00 H new ATOM 0 HB2 ASP A 78 15.683 -12.896 7.232 1.00 0.00 H new ATOM 0 HB3 ASP A 78 14.690 -11.706 6.414 1.00 0.00 H new ATOM 1085 N GLY A 79 16.100 -8.907 5.857 1.00 0.00 N ATOM 1086 CA GLY A 79 16.180 -7.941 4.781 1.00 0.00 C ATOM 1087 C GLY A 79 14.986 -8.052 3.863 1.00 0.00 C ATOM 1088 O GLY A 79 14.642 -7.109 3.150 1.00 0.00 O ATOM 0 H GLY A 79 15.401 -8.695 6.569 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.232 -6.934 5.195 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.096 -8.100 4.212 1.00 0.00 H new ATOM 1092 N SER A 80 14.359 -9.219 3.878 1.00 0.00 N ATOM 1093 CA SER A 80 13.136 -9.430 3.128 1.00 0.00 C ATOM 1094 C SER A 80 11.966 -8.748 3.832 1.00 0.00 C ATOM 1095 O SER A 80 11.859 -8.781 5.059 1.00 0.00 O ATOM 1096 CB SER A 80 12.850 -10.921 2.966 1.00 0.00 C ATOM 1097 OG SER A 80 13.928 -11.586 2.329 1.00 0.00 O ATOM 0 H SER A 80 14.680 -10.033 4.403 1.00 0.00 H new ATOM 0 HA SER A 80 13.261 -8.994 2.137 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.671 -11.368 3.944 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.940 -11.058 2.382 1.00 0.00 H new ATOM 0 HG SER A 80 14.428 -12.108 2.991 1.00 0.00 H new ATOM 1103 N VAL A 81 11.094 -8.140 3.053 1.00 0.00 N ATOM 1104 CA VAL A 81 9.976 -7.390 3.601 1.00 0.00 C ATOM 1105 C VAL A 81 8.661 -8.122 3.363 1.00 0.00 C ATOM 1106 O VAL A 81 8.368 -8.541 2.244 1.00 0.00 O ATOM 1107 CB VAL A 81 9.893 -5.981 2.985 1.00 0.00 C ATOM 1108 CG1 VAL A 81 8.808 -5.157 3.657 1.00 0.00 C ATOM 1109 CG2 VAL A 81 11.236 -5.280 3.079 1.00 0.00 C ATOM 0 H VAL A 81 11.137 -8.149 2.034 1.00 0.00 H new ATOM 0 HA VAL A 81 10.146 -7.296 4.674 1.00 0.00 H new ATOM 0 HB VAL A 81 9.632 -6.085 1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.770 -4.166 3.204 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.845 -5.651 3.530 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.030 -5.061 4.720 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.159 -4.286 2.639 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.528 -5.192 4.125 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.987 -5.858 2.540 1.00 0.00 H new ATOM 1119 N THR A 82 7.874 -8.255 4.417 1.00 0.00 N ATOM 1120 CA THR A 82 6.603 -8.948 4.353 1.00 0.00 C ATOM 1121 C THR A 82 5.461 -7.950 4.156 1.00 0.00 C ATOM 1122 O THR A 82 5.157 -7.145 5.043 1.00 0.00 O ATOM 1123 CB THR A 82 6.381 -9.774 5.639 1.00 0.00 C ATOM 1124 OG1 THR A 82 7.406 -10.772 5.755 1.00 0.00 O ATOM 1125 CG2 THR A 82 5.015 -10.444 5.640 1.00 0.00 C ATOM 0 H THR A 82 8.100 -7.885 5.340 1.00 0.00 H new ATOM 0 HA THR A 82 6.618 -9.627 3.501 1.00 0.00 H new ATOM 0 HB THR A 82 6.426 -9.094 6.489 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.331 -11.219 6.624 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.891 -11.017 6.559 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.237 -9.683 5.579 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.937 -11.112 4.782 1.00 0.00 H new ATOM 1133 N ILE A 83 4.846 -7.993 2.981 1.00 0.00 N ATOM 1134 CA ILE A 83 3.769 -7.072 2.641 1.00 0.00 C ATOM 1135 C ILE A 83 2.510 -7.829 2.249 1.00 0.00 C ATOM 1136 O ILE A 83 2.568 -9.010 1.901 1.00 0.00 O ATOM 1137 CB ILE A 83 4.156 -6.142 1.474 1.00 0.00 C ATOM 1138 CG1 ILE A 83 4.537 -6.968 0.240 1.00 0.00 C ATOM 1139 CG2 ILE A 83 5.290 -5.218 1.884 1.00 0.00 C ATOM 1140 CD1 ILE A 83 4.776 -6.142 -1.004 1.00 0.00 C ATOM 0 H ILE A 83 5.076 -8.660 2.244 1.00 0.00 H new ATOM 0 HA ILE A 83 3.584 -6.472 3.532 1.00 0.00 H new ATOM 0 HB ILE A 83 3.295 -5.524 1.217 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.438 -7.540 0.462 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.744 -7.688 0.039 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.550 -4.569 1.048 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.975 -4.610 2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.159 -5.812 2.166 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.041 -6.800 -1.832 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.870 -5.590 -1.254 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.590 -5.440 -0.824 1.00 0.00 H new ATOM 1152 N SER A 84 1.382 -7.138 2.299 1.00 0.00 N ATOM 1153 CA SER A 84 0.115 -7.710 1.892 1.00 0.00 C ATOM 1154 C SER A 84 -0.667 -6.730 1.021 1.00 0.00 C ATOM 1155 O SER A 84 -1.054 -5.642 1.459 1.00 0.00 O ATOM 1156 CB SER A 84 -0.700 -8.126 3.119 1.00 0.00 C ATOM 1157 OG SER A 84 -0.072 -9.201 3.798 1.00 0.00 O ATOM 0 H SER A 84 1.322 -6.172 2.621 1.00 0.00 H new ATOM 0 HA SER A 84 0.313 -8.601 1.296 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.809 -7.277 3.794 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.704 -8.420 2.812 1.00 0.00 H new ATOM 0 HG SER A 84 -0.089 -9.033 4.763 1.00 0.00 H new ATOM 1163 N GLU A 85 -0.867 -7.125 -0.223 1.00 0.00 N ATOM 1164 CA GLU A 85 -1.623 -6.344 -1.194 1.00 0.00 C ATOM 1165 C GLU A 85 -2.759 -7.188 -1.772 1.00 0.00 C ATOM 1166 O GLU A 85 -2.521 -8.212 -2.399 1.00 0.00 O ATOM 1167 CB GLU A 85 -0.697 -5.853 -2.318 1.00 0.00 C ATOM 1168 CG GLU A 85 0.189 -6.949 -2.906 1.00 0.00 C ATOM 1169 CD GLU A 85 1.049 -6.476 -4.062 1.00 0.00 C ATOM 1170 OE1 GLU A 85 2.080 -5.811 -3.816 1.00 0.00 O ATOM 1171 OE2 GLU A 85 0.714 -6.794 -5.223 1.00 0.00 O ATOM 0 H GLU A 85 -0.507 -8.004 -0.594 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.050 -5.475 -0.693 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.304 -5.422 -3.114 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.064 -5.054 -1.932 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.834 -7.344 -2.121 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.441 -7.772 -3.245 1.00 0.00 H new ATOM 1178 N MET A 86 -3.997 -6.778 -1.544 1.00 0.00 N ATOM 1179 CA MET A 86 -5.141 -7.549 -2.017 1.00 0.00 C ATOM 1180 C MET A 86 -5.459 -7.227 -3.471 1.00 0.00 C ATOM 1181 O MET A 86 -5.668 -6.064 -3.822 1.00 0.00 O ATOM 1182 CB MET A 86 -6.365 -7.283 -1.148 1.00 0.00 C ATOM 1183 CG MET A 86 -7.579 -8.095 -1.562 1.00 0.00 C ATOM 1184 SD MET A 86 -8.958 -7.938 -0.413 1.00 0.00 S ATOM 1185 CE MET A 86 -8.314 -8.817 1.011 1.00 0.00 C ATOM 0 H MET A 86 -4.236 -5.924 -1.040 1.00 0.00 H new ATOM 0 HA MET A 86 -4.879 -8.605 -1.947 1.00 0.00 H new ATOM 0 HB2 MET A 86 -6.122 -7.509 -0.110 1.00 0.00 H new ATOM 0 HB3 MET A 86 -6.612 -6.222 -1.194 1.00 0.00 H new ATOM 0 HG2 MET A 86 -7.901 -7.776 -2.553 1.00 0.00 H new ATOM 0 HG3 MET A 86 -7.297 -9.145 -1.641 1.00 0.00 H new ATOM 0 HE1 MET A 86 -8.892 -9.728 1.168 1.00 0.00 H new ATOM 0 HE2 MET A 86 -7.269 -9.075 0.837 1.00 0.00 H new ATOM 0 HE3 MET A 86 -8.389 -8.183 1.894 1.00 0.00 H new ATOM 1195 N ASN A 87 -5.480 -8.273 -4.301 1.00 0.00 N ATOM 1196 CA ASN A 87 -5.815 -8.172 -5.725 1.00 0.00 C ATOM 1197 C ASN A 87 -4.713 -7.480 -6.510 1.00 0.00 C ATOM 1198 O ASN A 87 -4.162 -8.069 -7.442 1.00 0.00 O ATOM 1199 CB ASN A 87 -7.160 -7.464 -5.945 1.00 0.00 C ATOM 1200 CG ASN A 87 -7.451 -7.163 -7.409 1.00 0.00 C ATOM 1201 OD1 ASN A 87 -7.952 -8.004 -8.146 1.00 0.00 O ATOM 1202 ND2 ASN A 87 -7.175 -5.941 -7.830 1.00 0.00 N ATOM 0 H ASN A 87 -5.263 -9.223 -4.001 1.00 0.00 H new ATOM 0 HA ASN A 87 -5.909 -9.191 -6.099 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -7.960 -8.086 -5.543 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.168 -6.531 -5.381 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -7.379 -5.675 -8.793 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -6.758 -5.264 -7.192 1.00 0.00 H new ATOM 1209 N TYR A 88 -4.393 -6.242 -6.122 1.00 0.00 N ATOM 1210 CA TYR A 88 -3.399 -5.428 -6.816 1.00 0.00 C ATOM 1211 C TYR A 88 -3.891 -5.065 -8.219 1.00 0.00 C ATOM 1212 O TYR A 88 -4.234 -3.913 -8.486 1.00 0.00 O ATOM 1213 CB TYR A 88 -2.048 -6.157 -6.853 1.00 0.00 C ATOM 1214 CG TYR A 88 -1.080 -5.649 -7.897 1.00 0.00 C ATOM 1215 CD1 TYR A 88 -0.597 -4.346 -7.866 1.00 0.00 C ATOM 1216 CD2 TYR A 88 -0.650 -6.484 -8.920 1.00 0.00 C ATOM 1217 CE1 TYR A 88 0.285 -3.894 -8.829 1.00 0.00 C ATOM 1218 CE2 TYR A 88 0.229 -6.039 -9.881 1.00 0.00 C ATOM 1219 CZ TYR A 88 0.696 -4.746 -9.832 1.00 0.00 C ATOM 1220 OH TYR A 88 1.573 -4.302 -10.794 1.00 0.00 O ATOM 0 H TYR A 88 -4.817 -5.779 -5.318 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.255 -4.496 -6.270 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.579 -6.073 -5.872 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.228 -7.217 -7.031 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.915 -3.678 -7.079 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.012 -7.501 -8.962 1.00 0.00 H new ATOM 0 HE1 TYR A 88 0.651 -2.878 -8.796 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.551 -6.702 -10.670 1.00 0.00 H new ATOM 0 HH TYR A 88 2.468 -4.216 -10.405 1.00 0.00 H new ATOM 1230 N SER A 89 -3.948 -6.061 -9.088 1.00 0.00 N ATOM 1231 CA SER A 89 -4.454 -5.904 -10.437 1.00 0.00 C ATOM 1232 C SER A 89 -4.538 -7.280 -11.090 1.00 0.00 C ATOM 1233 O SER A 89 -3.568 -7.755 -11.691 1.00 0.00 O ATOM 1234 CB SER A 89 -3.556 -4.965 -11.258 1.00 0.00 C ATOM 1235 OG SER A 89 -4.130 -4.672 -12.521 1.00 0.00 O ATOM 0 H SER A 89 -3.641 -7.009 -8.872 1.00 0.00 H new ATOM 0 HA SER A 89 -5.446 -5.453 -10.401 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.395 -4.039 -10.706 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.578 -5.426 -11.399 1.00 0.00 H new ATOM 0 HG SER A 89 -3.536 -4.072 -13.019 1.00 0.00 H new ATOM 1241 N GLY A 90 -5.677 -7.939 -10.924 1.00 0.00 N ATOM 1242 CA GLY A 90 -5.845 -9.265 -11.482 1.00 0.00 C ATOM 1243 C GLY A 90 -6.955 -10.047 -10.808 1.00 0.00 C ATOM 1244 O GLY A 90 -8.118 -9.939 -11.198 1.00 0.00 O ATOM 0 H GLY A 90 -6.485 -7.580 -10.415 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -6.060 -9.182 -12.547 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.909 -9.816 -11.388 1.00 0.00 H new ATOM 1248 N GLY A 91 -6.600 -10.827 -9.793 1.00 0.00 N ATOM 1249 CA GLY A 91 -7.571 -11.680 -9.134 1.00 0.00 C ATOM 1250 C GLY A 91 -8.287 -10.978 -7.997 1.00 0.00 C ATOM 1251 O GLY A 91 -7.660 -10.623 -6.998 1.00 0.00 O ATOM 0 H GLY A 91 -5.655 -10.884 -9.414 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.304 -12.021 -9.865 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.068 -12.567 -8.749 1.00 0.00 H new ATOM 1255 N PRO A 92 -9.609 -10.770 -8.122 1.00 0.00 N ATOM 1256 CA PRO A 92 -10.400 -10.035 -7.127 1.00 0.00 C ATOM 1257 C PRO A 92 -10.277 -10.626 -5.726 1.00 0.00 C ATOM 1258 O PRO A 92 -10.586 -11.799 -5.505 1.00 0.00 O ATOM 1259 CB PRO A 92 -11.836 -10.162 -7.641 1.00 0.00 C ATOM 1260 CG PRO A 92 -11.689 -10.418 -9.101 1.00 0.00 C ATOM 1261 CD PRO A 92 -10.442 -11.240 -9.242 1.00 0.00 C ATOM 0 HA PRO A 92 -10.061 -9.004 -7.026 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.364 -10.977 -7.146 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.407 -9.253 -7.453 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.555 -10.949 -9.495 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.608 -9.484 -9.657 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.651 -12.307 -9.169 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.956 -11.075 -10.204 1.00 0.00 H new ATOM 1269 N PHE A 93 -9.784 -9.800 -4.804 1.00 0.00 N ATOM 1270 CA PHE A 93 -9.611 -10.163 -3.395 1.00 0.00 C ATOM 1271 C PHE A 93 -8.515 -11.196 -3.187 1.00 0.00 C ATOM 1272 O PHE A 93 -8.312 -11.665 -2.064 1.00 0.00 O ATOM 1273 CB PHE A 93 -10.898 -10.673 -2.757 1.00 0.00 C ATOM 1274 CG PHE A 93 -11.965 -9.626 -2.593 1.00 0.00 C ATOM 1275 CD1 PHE A 93 -12.779 -9.271 -3.656 1.00 0.00 C ATOM 1276 CD2 PHE A 93 -12.156 -9.002 -1.370 1.00 0.00 C ATOM 1277 CE1 PHE A 93 -13.763 -8.312 -3.502 1.00 0.00 C ATOM 1278 CE2 PHE A 93 -13.137 -8.044 -1.211 1.00 0.00 C ATOM 1279 CZ PHE A 93 -13.942 -7.699 -2.279 1.00 0.00 C ATOM 0 H PHE A 93 -9.489 -8.847 -5.016 1.00 0.00 H new ATOM 0 HA PHE A 93 -9.319 -9.235 -2.903 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -11.294 -11.486 -3.365 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -10.663 -11.092 -1.779 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -12.644 -9.748 -4.615 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -11.530 -9.269 -0.531 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -14.391 -8.043 -4.338 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -13.275 -7.565 -0.253 1.00 0.00 H new ATOM 0 HZ PHE A 93 -14.711 -6.950 -2.157 1.00 0.00 H new ATOM 1289 N SER A 94 -7.810 -11.561 -4.244 1.00 0.00 N ATOM 1290 CA SER A 94 -6.661 -12.427 -4.092 1.00 0.00 C ATOM 1291 C SER A 94 -5.535 -11.647 -3.454 1.00 0.00 C ATOM 1292 O SER A 94 -4.776 -10.960 -4.136 1.00 0.00 O ATOM 1293 CB SER A 94 -6.220 -13.009 -5.431 1.00 0.00 C ATOM 1294 OG SER A 94 -7.216 -13.880 -5.944 1.00 0.00 O ATOM 0 H SER A 94 -8.011 -11.275 -5.202 1.00 0.00 H new ATOM 0 HA SER A 94 -6.935 -13.265 -3.451 1.00 0.00 H new ATOM 0 HB2 SER A 94 -6.032 -12.203 -6.141 1.00 0.00 H new ATOM 0 HB3 SER A 94 -5.282 -13.551 -5.308 1.00 0.00 H new ATOM 0 HG SER A 94 -6.920 -14.245 -6.804 1.00 0.00 H new ATOM 1300 N VAL A 95 -5.484 -11.694 -2.132 1.00 0.00 N ATOM 1301 CA VAL A 95 -4.448 -11.003 -1.399 1.00 0.00 C ATOM 1302 C VAL A 95 -3.073 -11.560 -1.789 1.00 0.00 C ATOM 1303 O VAL A 95 -2.689 -12.658 -1.381 1.00 0.00 O ATOM 1304 CB VAL A 95 -4.670 -11.079 0.134 1.00 0.00 C ATOM 1305 CG1 VAL A 95 -4.887 -12.513 0.598 1.00 0.00 C ATOM 1306 CG2 VAL A 95 -3.506 -10.439 0.883 1.00 0.00 C ATOM 0 H VAL A 95 -6.149 -12.204 -1.550 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.491 -9.948 -1.668 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.576 -10.518 0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.039 -12.527 1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.765 -12.927 0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.012 -13.113 0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.684 -10.504 1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.582 -10.963 0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.418 -9.392 0.593 1.00 0.00 H new ATOM 1316 N SER A 96 -2.363 -10.811 -2.617 1.00 0.00 N ATOM 1317 CA SER A 96 -1.097 -11.253 -3.163 1.00 0.00 C ATOM 1318 C SER A 96 -0.031 -11.314 -2.080 1.00 0.00 C ATOM 1319 O SER A 96 0.349 -10.292 -1.505 1.00 0.00 O ATOM 1320 CB SER A 96 -0.654 -10.302 -4.276 1.00 0.00 C ATOM 1321 OG SER A 96 -1.676 -10.142 -5.251 1.00 0.00 O ATOM 0 H SER A 96 -2.650 -9.883 -2.927 1.00 0.00 H new ATOM 0 HA SER A 96 -1.228 -12.255 -3.571 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.399 -9.332 -3.849 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.248 -10.688 -4.751 1.00 0.00 H new ATOM 0 HG SER A 96 -1.368 -9.528 -5.950 1.00 0.00 H new ATOM 1327 N SER A 97 0.418 -12.518 -1.780 1.00 0.00 N ATOM 1328 CA SER A 97 1.514 -12.698 -0.847 1.00 0.00 C ATOM 1329 C SER A 97 2.836 -12.359 -1.527 1.00 0.00 C ATOM 1330 O SER A 97 3.234 -13.012 -2.494 1.00 0.00 O ATOM 1331 CB SER A 97 1.543 -14.132 -0.326 1.00 0.00 C ATOM 1332 OG SER A 97 0.291 -14.498 0.230 1.00 0.00 O ATOM 0 H SER A 97 0.042 -13.383 -2.167 1.00 0.00 H new ATOM 0 HA SER A 97 1.366 -12.027 -0.001 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.796 -14.813 -1.139 1.00 0.00 H new ATOM 0 HB3 SER A 97 2.323 -14.232 0.429 1.00 0.00 H new ATOM 0 HG SER A 97 0.335 -15.421 0.555 1.00 0.00 H new ATOM 1338 N ARG A 98 3.505 -11.330 -1.035 1.00 0.00 N ATOM 1339 CA ARG A 98 4.757 -10.889 -1.629 1.00 0.00 C ATOM 1340 C ARG A 98 5.826 -10.693 -0.569 1.00 0.00 C ATOM 1341 O ARG A 98 5.531 -10.606 0.624 1.00 0.00 O ATOM 1342 CB ARG A 98 4.564 -9.586 -2.411 1.00 0.00 C ATOM 1343 CG ARG A 98 3.751 -9.741 -3.683 1.00 0.00 C ATOM 1344 CD ARG A 98 3.736 -8.452 -4.487 1.00 0.00 C ATOM 1345 NE ARG A 98 5.086 -8.027 -4.863 1.00 0.00 N ATOM 1346 CZ ARG A 98 5.475 -6.753 -4.938 1.00 0.00 C ATOM 1347 NH1 ARG A 98 4.614 -5.770 -4.689 1.00 0.00 N ATOM 1348 NH2 ARG A 98 6.731 -6.464 -5.271 1.00 0.00 N ATOM 0 H ARG A 98 3.203 -10.785 -0.227 1.00 0.00 H new ATOM 0 HA ARG A 98 5.083 -11.669 -2.317 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.074 -8.857 -1.766 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.543 -9.179 -2.665 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.169 -10.545 -4.289 1.00 0.00 H new ATOM 0 HG3 ARG A 98 2.730 -10.028 -3.432 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.136 -8.592 -5.386 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.257 -7.666 -3.903 1.00 0.00 H new ATOM 0 HE ARG A 98 5.772 -8.750 -5.081 1.00 0.00 H new ATOM 0 HH11 ARG A 98 3.649 -5.988 -4.439 1.00 0.00 H new ATOM 0 HH12 ARG A 98 4.918 -4.798 -4.748 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.392 -7.215 -5.468 1.00 0.00 H new ATOM 0 HH22 ARG A 98 7.032 -5.491 -5.329 1.00 0.00 H new ATOM 1362 N THR A 99 7.069 -10.632 -1.013 1.00 0.00 N ATOM 1363 CA THR A 99 8.199 -10.414 -0.132 1.00 0.00 C ATOM 1364 C THR A 99 9.313 -9.727 -0.909 1.00 0.00 C ATOM 1365 O THR A 99 9.874 -10.301 -1.844 1.00 0.00 O ATOM 1366 CB THR A 99 8.726 -11.740 0.456 1.00 0.00 C ATOM 1367 OG1 THR A 99 7.650 -12.479 1.054 1.00 0.00 O ATOM 1368 CG2 THR A 99 9.803 -11.484 1.499 1.00 0.00 C ATOM 0 H THR A 99 7.322 -10.733 -1.996 1.00 0.00 H new ATOM 0 HA THR A 99 7.869 -9.787 0.696 1.00 0.00 H new ATOM 0 HB THR A 99 9.159 -12.320 -0.359 1.00 0.00 H new ATOM 0 HG1 THR A 99 7.995 -13.319 1.422 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.157 -12.435 1.897 1.00 0.00 H new ATOM 0 HG22 THR A 99 10.635 -10.951 1.039 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.390 -10.883 2.309 1.00 0.00 H new ATOM 1376 N ILE A 100 9.623 -8.495 -0.541 1.00 0.00 N ATOM 1377 CA ILE A 100 10.617 -7.732 -1.277 1.00 0.00 C ATOM 1378 C ILE A 100 11.992 -7.915 -0.650 1.00 0.00 C ATOM 1379 O ILE A 100 12.131 -7.870 0.570 1.00 0.00 O ATOM 1380 CB ILE A 100 10.324 -6.209 -1.326 1.00 0.00 C ATOM 1381 CG1 ILE A 100 8.830 -5.891 -1.442 1.00 0.00 C ATOM 1382 CG2 ILE A 100 11.060 -5.593 -2.500 1.00 0.00 C ATOM 1383 CD1 ILE A 100 8.167 -5.602 -0.116 1.00 0.00 C ATOM 0 H ILE A 100 9.207 -8.007 0.252 1.00 0.00 H new ATOM 0 HA ILE A 100 10.582 -8.118 -2.296 1.00 0.00 H new ATOM 0 HB ILE A 100 10.671 -5.785 -0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 100 8.700 -5.030 -2.098 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.324 -6.732 -1.916 1.00 0.00 H new ATOM 0 HG21 ILE A 100 10.856 -4.523 -2.537 1.00 0.00 H new ATOM 0 HG22 ILE A 100 12.132 -5.754 -2.383 1.00 0.00 H new ATOM 0 HG23 ILE A 100 10.722 -6.059 -3.426 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.111 -5.386 -0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.264 -6.470 0.536 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.647 -4.742 0.351 1.00 0.00 H new ATOM 1395 N SER A 101 12.993 -8.143 -1.481 1.00 0.00 N ATOM 1396 CA SER A 101 14.370 -8.129 -1.023 1.00 0.00 C ATOM 1397 C SER A 101 14.804 -6.685 -0.773 1.00 0.00 C ATOM 1398 O SER A 101 14.288 -5.768 -1.410 1.00 0.00 O ATOM 1399 CB SER A 101 15.271 -8.804 -2.062 1.00 0.00 C ATOM 1400 OG SER A 101 15.042 -8.277 -3.359 1.00 0.00 O ATOM 0 H SER A 101 12.878 -8.340 -2.475 1.00 0.00 H new ATOM 0 HA SER A 101 14.456 -8.685 -0.089 1.00 0.00 H new ATOM 0 HB2 SER A 101 16.316 -8.662 -1.788 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.086 -9.878 -2.065 1.00 0.00 H new ATOM 0 HG SER A 101 15.631 -8.724 -4.002 1.00 0.00 H new ATOM 1406 N ALA A 102 15.736 -6.488 0.155 1.00 0.00 N ATOM 1407 CA ALA A 102 16.164 -5.147 0.571 1.00 0.00 C ATOM 1408 C ALA A 102 16.485 -4.236 -0.618 1.00 0.00 C ATOM 1409 O ALA A 102 16.109 -3.060 -0.625 1.00 0.00 O ATOM 1410 CB ALA A 102 17.369 -5.251 1.492 1.00 0.00 C ATOM 0 H ALA A 102 16.216 -7.246 0.640 1.00 0.00 H new ATOM 0 HA ALA A 102 15.329 -4.692 1.104 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.681 -4.252 1.797 1.00 0.00 H new ATOM 0 HB2 ALA A 102 17.103 -5.833 2.374 1.00 0.00 H new ATOM 0 HB3 ALA A 102 18.188 -5.742 0.966 1.00 0.00 H new ATOM 1416 N SER A 103 17.161 -4.783 -1.625 1.00 0.00 N ATOM 1417 CA SER A 103 17.554 -4.009 -2.798 1.00 0.00 C ATOM 1418 C SER A 103 16.336 -3.408 -3.504 1.00 0.00 C ATOM 1419 O SER A 103 16.283 -2.203 -3.745 1.00 0.00 O ATOM 1420 CB SER A 103 18.356 -4.889 -3.759 1.00 0.00 C ATOM 1421 OG SER A 103 19.486 -5.439 -3.100 1.00 0.00 O ATOM 0 H SER A 103 17.448 -5.761 -1.652 1.00 0.00 H new ATOM 0 HA SER A 103 18.182 -3.182 -2.467 1.00 0.00 H new ATOM 0 HB2 SER A 103 17.724 -5.691 -4.141 1.00 0.00 H new ATOM 0 HB3 SER A 103 18.679 -4.300 -4.618 1.00 0.00 H new ATOM 0 HG SER A 103 19.989 -6.001 -3.726 1.00 0.00 H new ATOM 1427 N GLU A 104 15.349 -4.239 -3.807 1.00 0.00 N ATOM 1428 CA GLU A 104 14.155 -3.767 -4.497 1.00 0.00 C ATOM 1429 C GLU A 104 13.231 -3.035 -3.527 1.00 0.00 C ATOM 1430 O GLU A 104 12.422 -2.200 -3.932 1.00 0.00 O ATOM 1431 CB GLU A 104 13.429 -4.935 -5.171 1.00 0.00 C ATOM 1432 CG GLU A 104 12.133 -4.529 -5.858 1.00 0.00 C ATOM 1433 CD GLU A 104 11.629 -5.568 -6.832 1.00 0.00 C ATOM 1434 OE1 GLU A 104 11.076 -6.598 -6.392 1.00 0.00 O ATOM 1435 OE2 GLU A 104 11.775 -5.353 -8.052 1.00 0.00 O ATOM 0 H GLU A 104 15.349 -5.235 -3.589 1.00 0.00 H new ATOM 0 HA GLU A 104 14.457 -3.063 -5.273 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.093 -5.390 -5.906 1.00 0.00 H new ATOM 0 HB3 GLU A 104 13.211 -5.697 -4.423 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.369 -4.347 -5.102 1.00 0.00 H new ATOM 0 HG3 GLU A 104 12.288 -3.589 -6.387 1.00 0.00 H new ATOM 1442 N ALA A 105 13.373 -3.336 -2.245 1.00 0.00 N ATOM 1443 CA ALA A 105 12.570 -2.697 -1.215 1.00 0.00 C ATOM 1444 C ALA A 105 12.830 -1.199 -1.186 1.00 0.00 C ATOM 1445 O ALA A 105 11.902 -0.404 -1.058 1.00 0.00 O ATOM 1446 CB ALA A 105 12.863 -3.312 0.142 1.00 0.00 C ATOM 0 H ALA A 105 14.040 -4.022 -1.893 1.00 0.00 H new ATOM 0 HA ALA A 105 11.518 -2.858 -1.450 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.254 -2.823 0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 105 12.628 -4.376 0.118 1.00 0.00 H new ATOM 0 HB3 ALA A 105 13.918 -3.179 0.381 1.00 0.00 H new ATOM 1452 N GLY A 106 14.096 -0.820 -1.325 1.00 0.00 N ATOM 1453 CA GLY A 106 14.458 0.589 -1.345 1.00 0.00 C ATOM 1454 C GLY A 106 13.967 1.314 -2.591 1.00 0.00 C ATOM 1455 O GLY A 106 14.081 2.538 -2.692 1.00 0.00 O ATOM 0 H GLY A 106 14.881 -1.464 -1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.045 1.077 -0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 106 15.542 0.680 -1.282 1.00 0.00 H new ATOM 1459 N ASN A 107 13.424 0.560 -3.541 1.00 0.00 N ATOM 1460 CA ASN A 107 12.885 1.131 -4.775 1.00 0.00 C ATOM 1461 C ASN A 107 11.466 1.651 -4.552 1.00 0.00 C ATOM 1462 O ASN A 107 10.960 2.472 -5.318 1.00 0.00 O ATOM 1463 CB ASN A 107 12.903 0.073 -5.893 1.00 0.00 C ATOM 1464 CG ASN A 107 12.104 0.472 -7.125 1.00 0.00 C ATOM 1465 OD1 ASN A 107 12.614 1.147 -8.020 1.00 0.00 O ATOM 1466 ND2 ASN A 107 10.850 0.034 -7.192 1.00 0.00 N ATOM 0 H ASN A 107 13.344 -0.455 -3.481 1.00 0.00 H new ATOM 0 HA ASN A 107 13.511 1.972 -5.075 1.00 0.00 H new ATOM 0 HB2 ASN A 107 13.936 -0.116 -6.186 1.00 0.00 H new ATOM 0 HB3 ASN A 107 12.507 -0.864 -5.501 1.00 0.00 H new ATOM 0 HD21 ASN A 107 10.275 0.255 -8.005 1.00 0.00 H new ATOM 0 HD22 ASN A 107 10.463 -0.523 -6.430 1.00 0.00 H new ATOM 1473 N TYR A 108 10.835 1.182 -3.486 1.00 0.00 N ATOM 1474 CA TYR A 108 9.460 1.549 -3.194 1.00 0.00 C ATOM 1475 C TYR A 108 9.395 2.707 -2.207 1.00 0.00 C ATOM 1476 O TYR A 108 10.068 2.693 -1.178 1.00 0.00 O ATOM 1477 CB TYR A 108 8.697 0.368 -2.609 1.00 0.00 C ATOM 1478 CG TYR A 108 8.564 -0.830 -3.520 1.00 0.00 C ATOM 1479 CD1 TYR A 108 7.698 -0.810 -4.604 1.00 0.00 C ATOM 1480 CD2 TYR A 108 9.271 -1.997 -3.268 1.00 0.00 C ATOM 1481 CE1 TYR A 108 7.549 -1.917 -5.418 1.00 0.00 C ATOM 1482 CE2 TYR A 108 9.121 -3.109 -4.069 1.00 0.00 C ATOM 1483 CZ TYR A 108 8.258 -3.064 -5.143 1.00 0.00 C ATOM 1484 OH TYR A 108 8.095 -4.178 -5.933 1.00 0.00 O ATOM 0 H TYR A 108 11.255 0.546 -2.809 1.00 0.00 H new ATOM 0 HA TYR A 108 9.004 1.852 -4.136 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.195 0.053 -1.692 1.00 0.00 H new ATOM 0 HB3 TYR A 108 7.698 0.704 -2.330 1.00 0.00 H new ATOM 0 HD1 TYR A 108 7.131 0.085 -4.815 1.00 0.00 H new ATOM 0 HD2 TYR A 108 9.951 -2.035 -2.430 1.00 0.00 H new ATOM 0 HE1 TYR A 108 6.880 -1.882 -6.265 1.00 0.00 H new ATOM 0 HE2 TYR A 108 9.677 -4.010 -3.856 1.00 0.00 H new ATOM 0 HH TYR A 108 8.818 -4.815 -5.754 1.00 0.00 H new ATOM 1494 N ASN A 109 8.557 3.686 -2.520 1.00 0.00 N ATOM 1495 CA ASN A 109 8.339 4.833 -1.644 1.00 0.00 C ATOM 1496 C ASN A 109 7.255 4.495 -0.634 1.00 0.00 C ATOM 1497 O ASN A 109 6.489 3.558 -0.834 1.00 0.00 O ATOM 1498 CB ASN A 109 7.924 6.079 -2.447 1.00 0.00 C ATOM 1499 CG ASN A 109 9.001 6.557 -3.405 1.00 0.00 C ATOM 1500 OD1 ASN A 109 9.928 7.272 -3.015 1.00 0.00 O ATOM 1501 ND2 ASN A 109 8.869 6.194 -4.671 1.00 0.00 N ATOM 0 H ASN A 109 8.012 3.710 -3.382 1.00 0.00 H new ATOM 0 HA ASN A 109 9.274 5.056 -1.131 1.00 0.00 H new ATOM 0 HB2 ASN A 109 7.018 5.855 -3.011 1.00 0.00 H new ATOM 0 HB3 ASN A 109 7.678 6.885 -1.755 1.00 0.00 H new ATOM 0 HD21 ASN A 109 9.548 6.507 -5.365 1.00 0.00 H new ATOM 0 HD22 ASN A 109 8.088 5.602 -4.953 1.00 0.00 H new ATOM 1508 N TYR A 110 7.197 5.236 0.455 1.00 0.00 N ATOM 1509 CA TYR A 110 6.121 5.074 1.415 1.00 0.00 C ATOM 1510 C TYR A 110 5.742 6.429 1.979 1.00 0.00 C ATOM 1511 O TYR A 110 6.500 7.391 1.857 1.00 0.00 O ATOM 1512 CB TYR A 110 6.495 4.079 2.527 1.00 0.00 C ATOM 1513 CG TYR A 110 7.562 4.528 3.510 1.00 0.00 C ATOM 1514 CD1 TYR A 110 8.388 5.610 3.258 1.00 0.00 C ATOM 1515 CD2 TYR A 110 7.728 3.851 4.707 1.00 0.00 C ATOM 1516 CE1 TYR A 110 9.346 6.001 4.164 1.00 0.00 C ATOM 1517 CE2 TYR A 110 8.688 4.238 5.621 1.00 0.00 C ATOM 1518 CZ TYR A 110 9.494 5.315 5.342 1.00 0.00 C ATOM 1519 OH TYR A 110 10.451 5.715 6.244 1.00 0.00 O ATOM 0 H TYR A 110 7.880 5.954 0.697 1.00 0.00 H new ATOM 0 HA TYR A 110 5.256 4.651 0.904 1.00 0.00 H new ATOM 0 HB2 TYR A 110 5.592 3.841 3.089 1.00 0.00 H new ATOM 0 HB3 TYR A 110 6.831 3.154 2.058 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.278 6.157 2.333 1.00 0.00 H new ATOM 0 HD2 TYR A 110 7.095 3.005 4.930 1.00 0.00 H new ATOM 0 HE1 TYR A 110 9.981 6.847 3.948 1.00 0.00 H new ATOM 0 HE2 TYR A 110 8.804 3.698 6.549 1.00 0.00 H new ATOM 0 HH TYR A 110 10.428 5.127 7.028 1.00 0.00 H new ATOM 1529 N ILE A 111 4.584 6.509 2.601 1.00 0.00 N ATOM 1530 CA ILE A 111 4.050 7.790 3.011 1.00 0.00 C ATOM 1531 C ILE A 111 3.751 7.808 4.503 1.00 0.00 C ATOM 1532 O ILE A 111 2.940 7.027 5.003 1.00 0.00 O ATOM 1533 CB ILE A 111 2.803 8.145 2.176 1.00 0.00 C ATOM 1534 CG1 ILE A 111 1.808 6.978 2.152 1.00 0.00 C ATOM 1535 CG2 ILE A 111 3.225 8.502 0.759 1.00 0.00 C ATOM 1536 CD1 ILE A 111 0.559 7.248 1.331 1.00 0.00 C ATOM 0 H ILE A 111 3.998 5.707 2.832 1.00 0.00 H new ATOM 0 HA ILE A 111 4.805 8.554 2.826 1.00 0.00 H new ATOM 0 HB ILE A 111 2.308 9.001 2.635 1.00 0.00 H new ATOM 0 HG12 ILE A 111 2.308 6.095 1.754 1.00 0.00 H new ATOM 0 HG13 ILE A 111 1.514 6.743 3.175 1.00 0.00 H new ATOM 0 HG21 ILE A 111 2.343 8.753 0.169 1.00 0.00 H new ATOM 0 HG22 ILE A 111 3.900 9.358 0.785 1.00 0.00 H new ATOM 0 HG23 ILE A 111 3.735 7.652 0.306 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.094 6.376 1.364 1.00 0.00 H new ATOM 0 HD12 ILE A 111 0.033 8.110 1.741 1.00 0.00 H new ATOM 0 HD13 ILE A 111 0.840 7.452 0.298 1.00 0.00 H new ATOM 1548 N HIS A 112 4.452 8.680 5.210 1.00 0.00 N ATOM 1549 CA HIS A 112 4.320 8.799 6.655 1.00 0.00 C ATOM 1550 C HIS A 112 3.321 9.880 7.039 1.00 0.00 C ATOM 1551 O HIS A 112 3.253 10.926 6.402 1.00 0.00 O ATOM 1552 CB HIS A 112 5.675 9.128 7.283 1.00 0.00 C ATOM 1553 CG HIS A 112 6.472 7.929 7.686 1.00 0.00 C ATOM 1554 ND1 HIS A 112 6.377 7.368 8.937 1.00 0.00 N ATOM 1555 CD2 HIS A 112 7.399 7.197 7.017 1.00 0.00 C ATOM 1556 CE1 HIS A 112 7.206 6.354 9.030 1.00 0.00 C ATOM 1557 NE2 HIS A 112 7.843 6.223 7.883 1.00 0.00 N ATOM 0 H HIS A 112 5.128 9.325 4.800 1.00 0.00 H new ATOM 0 HA HIS A 112 3.957 7.842 7.029 1.00 0.00 H new ATOM 0 HB2 HIS A 112 6.258 9.716 6.574 1.00 0.00 H new ATOM 0 HB3 HIS A 112 5.514 9.754 8.160 1.00 0.00 H new ATOM 0 HD2 HIS A 112 7.726 7.350 5.999 1.00 0.00 H new ATOM 0 HE1 HIS A 112 7.343 5.731 9.901 1.00 0.00 H new ATOM 0 HE2 HIS A 112 8.548 5.517 7.672 1.00 0.00 H new ATOM 1566 N ILE A 113 2.557 9.620 8.088 1.00 0.00 N ATOM 1567 CA ILE A 113 1.662 10.600 8.652 1.00 0.00 C ATOM 1568 C ILE A 113 2.314 11.273 9.854 1.00 0.00 C ATOM 1569 O ILE A 113 2.760 12.428 9.718 1.00 0.00 O ATOM 1570 CB ILE A 113 0.328 9.957 9.072 1.00 0.00 C ATOM 1571 CG1 ILE A 113 0.556 8.569 9.684 1.00 0.00 C ATOM 1572 CG2 ILE A 113 -0.618 9.879 7.886 1.00 0.00 C ATOM 1573 CD1 ILE A 113 -0.709 7.919 10.199 1.00 0.00 C ATOM 1574 OXT ILE A 113 2.424 10.627 10.918 1.00 0.00 O ATOM 0 H ILE A 113 2.545 8.720 8.568 1.00 0.00 H new ATOM 0 HA ILE A 113 1.455 11.348 7.887 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.130 10.585 9.836 1.00 0.00 H new ATOM 0 HG12 ILE A 113 1.008 7.920 8.934 1.00 0.00 H new ATOM 0 HG13 ILE A 113 1.270 8.655 10.503 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -1.557 9.422 8.199 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.811 10.883 7.508 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.166 9.276 7.099 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.471 6.941 10.617 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -1.152 8.547 10.972 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.417 7.800 9.379 1.00 0.00 H new TER 1586 ILE A 113