USER MOD reduce.3.24.130724 H: found=0, std=0, add=1070, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 1069 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 80 TYR OH : rot 10:sc= -0.435 USER MOD Set 1.2: A 114 GLN : amide:sc= 0.389 K(o=-4.1,f=-8.3!) USER MOD Set 1.3: A 116 ASN : amide:sc= -4.07 X(o=-4.1,f=-4.2!) USER MOD Set 2.1: A 103 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 105 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 42 SER OG : rot -89:sc= 1.59 USER MOD Set 3.2: A 66 THR OG1 : rot -91:sc= 1.46 USER MOD Set 4.1: A 48 LYS NZ :NH3+ 172:sc= 0.245 (180deg=-0.0682) USER MOD Set 4.2: A 49 SER OG : rot -160:sc= 0 USER MOD Set 5.1: A 25 ASN : amide:sc= -4.21! C(o=-3.2!,f=-9.6!) USER MOD Set 5.2: A 44 THR OG1 : rot -74:sc= 1.03 USER MOD Single : A 1 ALA N :NH3+ -113:sc= 0.133 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 23:sc= 1.09 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.242 K(o=-0.24,f=-1.3) USER MOD Single : A 12 SER OG : rot -160:sc= -0.931 USER MOD Single : A 15 GLN : amide:sc= -0.197 K(o=-0.2,f=-0.82) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 18 MET CE :methyl -144:sc= -0.171 (180deg=-1.17) USER MOD Single : A 19 ASN : amide:sc= -2.32 K(o=-2.3,f=-4.6!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl -145:sc= -1.95 (180deg=-4.98!) USER MOD Single : A 27 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.00135) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= -0.0194 USER MOD Single : A 34 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.014) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -160:sc= -0.618 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.15 K(o=-1.2,f=-5.5!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -2.17 K(o=-2.2,f=-0.21) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 130:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.272 X(o=-0.27,f=0) USER MOD Single : A 78 SER OG : rot 16:sc= 1.04 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0288) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 92 THR OG1 : rot -19:sc= 0.253 USER MOD Single : A 93 THR OG1 : rot -23:sc= 0.0246! USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 155:sc= -0.209 (180deg=-1.05) USER MOD Single : A 100 HIS : no HD1:sc= -2.14 K(o=-2.1,f=0.16) USER MOD Single : A 102 THR OG1 : rot -121:sc= 0.295 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl -158:sc= -0.158 (180deg=-1.35) USER MOD Single : A 120 ASN : amide:sc= -0.657 K(o=-0.66,f=-3.7!) USER MOD Single : A 126 SER OG : rot 180:sc= -0.071 USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 130 SER OG : rot 110:sc= -2.5 USER MOD Single : A 134 SER OG : rot -24:sc= 0.231 USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 117.701 -20.155 17.684 1.00 0.00 N ATOM 2 CA ALA A 1 116.515 -19.349 17.281 1.00 0.00 C ATOM 3 C ALA A 1 116.479 -19.229 15.759 1.00 0.00 C ATOM 4 O ALA A 1 117.463 -19.520 15.082 1.00 0.00 O ATOM 5 CB ALA A 1 116.609 -17.958 17.911 1.00 0.00 C ATOM 0 H1 ALA A 1 117.385 -21.055 18.098 1.00 0.00 H new ATOM 0 H2 ALA A 1 118.290 -20.347 16.849 1.00 0.00 H new ATOM 0 H3 ALA A 1 118.257 -19.627 18.386 1.00 0.00 H new ATOM 0 HA ALA A 1 115.603 -19.837 17.625 1.00 0.00 H new ATOM 0 HB1 ALA A 1 115.742 -17.366 17.617 1.00 0.00 H new ATOM 0 HB2 ALA A 1 116.634 -18.051 18.997 1.00 0.00 H new ATOM 0 HB3 ALA A 1 117.518 -17.464 17.568 1.00 0.00 H new ATOM 13 N THR A 2 115.336 -18.800 15.231 1.00 0.00 N ATOM 14 CA THR A 2 115.171 -18.642 13.788 1.00 0.00 C ATOM 15 C THR A 2 114.777 -17.209 13.449 1.00 0.00 C ATOM 16 O THR A 2 114.046 -16.557 14.196 1.00 0.00 O ATOM 17 CB THR A 2 114.098 -19.609 13.277 1.00 0.00 C ATOM 18 OG1 THR A 2 114.428 -20.931 13.677 1.00 0.00 O ATOM 19 CG2 THR A 2 114.027 -19.539 11.751 1.00 0.00 C ATOM 0 H THR A 2 114.511 -18.556 15.779 1.00 0.00 H new ATOM 0 HA THR A 2 116.121 -18.867 13.303 1.00 0.00 H new ATOM 0 HB THR A 2 113.130 -19.332 13.695 1.00 0.00 H new ATOM 0 HG1 THR A 2 113.742 -21.552 13.353 1.00 0.00 H new ATOM 0 HG21 THR A 2 113.263 -20.228 11.390 1.00 0.00 H new ATOM 0 HG22 THR A 2 113.774 -18.524 11.445 1.00 0.00 H new ATOM 0 HG23 THR A 2 114.993 -19.815 11.329 1.00 0.00 H new ATOM 27 N SER A 3 115.273 -16.723 12.315 1.00 0.00 N ATOM 28 CA SER A 3 115.023 -15.350 11.893 1.00 0.00 C ATOM 29 C SER A 3 115.155 -15.247 10.379 1.00 0.00 C ATOM 30 O SER A 3 115.626 -16.181 9.732 1.00 0.00 O ATOM 31 CB SER A 3 116.028 -14.410 12.560 1.00 0.00 C ATOM 32 OG SER A 3 117.327 -14.676 12.050 1.00 0.00 O ATOM 0 H SER A 3 115.852 -17.262 11.671 1.00 0.00 H new ATOM 0 HA SER A 3 114.014 -15.064 12.189 1.00 0.00 H new ATOM 0 HB2 SER A 3 115.755 -13.372 12.369 1.00 0.00 H new ATOM 0 HB3 SER A 3 116.013 -14.550 13.641 1.00 0.00 H new ATOM 0 HG SER A 3 117.974 -14.074 12.474 1.00 0.00 H new ATOM 38 N THR A 4 114.743 -14.114 9.811 1.00 0.00 N ATOM 39 CA THR A 4 114.860 -13.914 8.367 1.00 0.00 C ATOM 40 C THR A 4 115.407 -12.525 8.054 1.00 0.00 C ATOM 41 O THR A 4 115.217 -11.582 8.822 1.00 0.00 O ATOM 42 CB THR A 4 113.500 -14.131 7.685 1.00 0.00 C ATOM 43 OG1 THR A 4 113.678 -14.130 6.277 1.00 0.00 O ATOM 44 CG2 THR A 4 112.482 -13.044 8.062 1.00 0.00 C ATOM 0 H THR A 4 114.331 -13.331 10.319 1.00 0.00 H new ATOM 0 HA THR A 4 115.564 -14.648 7.974 1.00 0.00 H new ATOM 0 HB THR A 4 113.108 -15.089 8.027 1.00 0.00 H new ATOM 0 HG1 THR A 4 114.606 -14.364 6.064 1.00 0.00 H new ATOM 0 HG21 THR A 4 111.537 -13.240 7.556 1.00 0.00 H new ATOM 0 HG22 THR A 4 112.325 -13.051 9.141 1.00 0.00 H new ATOM 0 HG23 THR A 4 112.861 -12.069 7.757 1.00 0.00 H new ATOM 52 N VAL A 5 116.087 -12.414 6.918 1.00 0.00 N ATOM 53 CA VAL A 5 116.645 -11.135 6.486 1.00 0.00 C ATOM 54 C VAL A 5 116.112 -10.792 5.100 1.00 0.00 C ATOM 55 O VAL A 5 116.254 -11.575 4.161 1.00 0.00 O ATOM 56 CB VAL A 5 118.178 -11.210 6.449 1.00 0.00 C ATOM 57 CG1 VAL A 5 118.755 -9.841 6.084 1.00 0.00 C ATOM 58 CG2 VAL A 5 118.709 -11.623 7.824 1.00 0.00 C ATOM 0 H VAL A 5 116.265 -13.190 6.281 1.00 0.00 H new ATOM 0 HA VAL A 5 116.349 -10.360 7.193 1.00 0.00 H new ATOM 0 HB VAL A 5 118.478 -11.946 5.703 1.00 0.00 H new ATOM 0 HG11 VAL A 5 119.843 -9.900 6.059 1.00 0.00 H new ATOM 0 HG12 VAL A 5 118.385 -9.540 5.104 1.00 0.00 H new ATOM 0 HG13 VAL A 5 118.448 -9.107 6.829 1.00 0.00 H new ATOM 0 HG21 VAL A 5 119.797 -11.675 7.793 1.00 0.00 H new ATOM 0 HG22 VAL A 5 118.402 -10.888 8.568 1.00 0.00 H new ATOM 0 HG23 VAL A 5 118.307 -12.600 8.091 1.00 0.00 H new ATOM 68 N THR A 6 115.499 -9.617 4.975 1.00 0.00 N ATOM 69 CA THR A 6 114.917 -9.203 3.702 1.00 0.00 C ATOM 70 C THR A 6 115.410 -7.815 3.311 1.00 0.00 C ATOM 71 O THR A 6 115.526 -6.925 4.152 1.00 0.00 O ATOM 72 CB THR A 6 113.391 -9.189 3.806 1.00 0.00 C ATOM 73 OG1 THR A 6 112.940 -10.442 4.298 1.00 0.00 O ATOM 74 CG2 THR A 6 112.783 -8.935 2.425 1.00 0.00 C ATOM 0 H THR A 6 115.393 -8.941 5.732 1.00 0.00 H new ATOM 0 HA THR A 6 115.225 -9.915 2.937 1.00 0.00 H new ATOM 0 HB THR A 6 113.082 -8.396 4.488 1.00 0.00 H new ATOM 0 HG1 THR A 6 111.962 -10.434 4.367 1.00 0.00 H new ATOM 0 HG21 THR A 6 111.696 -8.926 2.502 1.00 0.00 H new ATOM 0 HG22 THR A 6 113.128 -7.973 2.047 1.00 0.00 H new ATOM 0 HG23 THR A 6 113.091 -9.725 1.741 1.00 0.00 H new ATOM 82 N GLY A 7 115.699 -7.642 2.028 1.00 0.00 N ATOM 83 CA GLY A 7 116.028 -6.326 1.495 1.00 0.00 C ATOM 84 C GLY A 7 115.056 -6.004 0.373 1.00 0.00 C ATOM 85 O GLY A 7 114.706 -6.891 -0.405 1.00 0.00 O ATOM 0 H GLY A 7 115.712 -8.394 1.339 1.00 0.00 H new ATOM 0 HA2 GLY A 7 115.964 -5.572 2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 7 117.053 -6.313 1.124 1.00 0.00 H new ATOM 89 N GLY A 8 114.616 -4.752 0.292 1.00 0.00 N ATOM 90 CA GLY A 8 113.604 -4.394 -0.695 1.00 0.00 C ATOM 91 C GLY A 8 113.778 -2.973 -1.206 1.00 0.00 C ATOM 92 O GLY A 8 114.517 -2.175 -0.629 1.00 0.00 O ATOM 0 H GLY A 8 114.935 -3.984 0.883 1.00 0.00 H new ATOM 0 HA2 GLY A 8 113.655 -5.089 -1.533 1.00 0.00 H new ATOM 0 HA3 GLY A 8 112.614 -4.500 -0.252 1.00 0.00 H new ATOM 96 N TYR A 9 113.050 -2.669 -2.274 1.00 0.00 N ATOM 97 CA TYR A 9 113.085 -1.347 -2.882 1.00 0.00 C ATOM 98 C TYR A 9 111.701 -0.725 -2.791 1.00 0.00 C ATOM 99 O TYR A 9 110.699 -1.391 -3.056 1.00 0.00 O ATOM 100 CB TYR A 9 113.514 -1.457 -4.347 1.00 0.00 C ATOM 101 CG TYR A 9 113.705 -0.116 -5.019 1.00 0.00 C ATOM 102 CD1 TYR A 9 114.909 0.579 -4.861 1.00 0.00 C ATOM 103 CD2 TYR A 9 112.681 0.427 -5.802 1.00 0.00 C ATOM 104 CE1 TYR A 9 115.091 1.818 -5.486 1.00 0.00 C ATOM 105 CE2 TYR A 9 112.860 1.668 -6.427 1.00 0.00 C ATOM 106 CZ TYR A 9 114.065 2.363 -6.268 1.00 0.00 C ATOM 107 OH TYR A 9 114.242 3.585 -6.884 1.00 0.00 O ATOM 0 H TYR A 9 112.424 -3.327 -2.739 1.00 0.00 H new ATOM 0 HA TYR A 9 113.804 -0.720 -2.355 1.00 0.00 H new ATOM 0 HB2 TYR A 9 114.446 -2.020 -4.404 1.00 0.00 H new ATOM 0 HB3 TYR A 9 112.764 -2.027 -4.896 1.00 0.00 H new ATOM 0 HD1 TYR A 9 115.699 0.159 -4.256 1.00 0.00 H new ATOM 0 HD2 TYR A 9 111.752 -0.110 -5.925 1.00 0.00 H new ATOM 0 HE1 TYR A 9 116.021 2.353 -5.365 1.00 0.00 H new ATOM 0 HE2 TYR A 9 112.069 2.088 -7.031 1.00 0.00 H new ATOM 0 HH TYR A 9 113.435 3.817 -7.389 1.00 0.00 H new ATOM 117 N ALA A 10 111.649 0.530 -2.361 1.00 0.00 N ATOM 118 CA ALA A 10 110.381 1.229 -2.193 1.00 0.00 C ATOM 119 C ALA A 10 110.291 2.404 -3.156 1.00 0.00 C ATOM 120 O ALA A 10 111.267 3.129 -3.349 1.00 0.00 O ATOM 121 CB ALA A 10 110.262 1.742 -0.757 1.00 0.00 C ATOM 0 H ALA A 10 112.471 1.085 -2.122 1.00 0.00 H new ATOM 0 HA ALA A 10 109.569 0.533 -2.404 1.00 0.00 H new ATOM 0 HB1 ALA A 10 109.313 2.264 -0.635 1.00 0.00 H new ATOM 0 HB2 ALA A 10 110.305 0.901 -0.065 1.00 0.00 H new ATOM 0 HB3 ALA A 10 111.083 2.427 -0.546 1.00 0.00 H new ATOM 127 N GLN A 11 109.116 2.590 -3.746 1.00 0.00 N ATOM 128 CA GLN A 11 108.872 3.739 -4.612 1.00 0.00 C ATOM 129 C GLN A 11 107.741 4.574 -4.029 1.00 0.00 C ATOM 130 O GLN A 11 106.700 4.033 -3.661 1.00 0.00 O ATOM 131 CB GLN A 11 108.489 3.266 -6.016 1.00 0.00 C ATOM 132 CG GLN A 11 109.670 2.523 -6.645 1.00 0.00 C ATOM 133 CD GLN A 11 109.285 1.960 -8.013 1.00 0.00 C ATOM 134 OE1 GLN A 11 108.102 1.834 -8.331 1.00 0.00 O ATOM 135 NE2 GLN A 11 110.225 1.613 -8.848 1.00 0.00 N ATOM 0 H GLN A 11 108.319 1.962 -3.641 1.00 0.00 H new ATOM 0 HA GLN A 11 109.779 4.340 -4.677 1.00 0.00 H new ATOM 0 HB2 GLN A 11 107.619 2.611 -5.966 1.00 0.00 H new ATOM 0 HB3 GLN A 11 108.211 4.119 -6.635 1.00 0.00 H new ATOM 0 HG2 GLN A 11 110.518 3.200 -6.750 1.00 0.00 H new ATOM 0 HG3 GLN A 11 109.988 1.713 -5.989 1.00 0.00 H new ATOM 0 HE21 GLN A 11 111.205 1.717 -8.585 1.00 0.00 H new ATOM 0 HE22 GLN A 11 109.980 1.237 -9.764 1.00 0.00 H new ATOM 144 N SER A 12 107.948 5.886 -3.944 1.00 0.00 N ATOM 145 CA SER A 12 106.941 6.779 -3.379 1.00 0.00 C ATOM 146 C SER A 12 106.394 7.692 -4.465 1.00 0.00 C ATOM 147 O SER A 12 107.163 8.232 -5.263 1.00 0.00 O ATOM 148 CB SER A 12 107.564 7.623 -2.268 1.00 0.00 C ATOM 149 OG SER A 12 106.549 8.402 -1.651 1.00 0.00 O ATOM 0 H SER A 12 108.799 6.352 -4.258 1.00 0.00 H new ATOM 0 HA SER A 12 106.127 6.182 -2.966 1.00 0.00 H new ATOM 0 HB2 SER A 12 108.044 6.979 -1.531 1.00 0.00 H new ATOM 0 HB3 SER A 12 108.339 8.271 -2.678 1.00 0.00 H new ATOM 0 HG SER A 12 106.958 9.156 -1.177 1.00 0.00 H new ATOM 155 N ASP A 13 105.080 7.909 -4.439 1.00 0.00 N ATOM 156 CA ASP A 13 104.414 8.633 -5.515 1.00 0.00 C ATOM 157 C ASP A 13 104.617 10.137 -5.376 1.00 0.00 C ATOM 158 O ASP A 13 104.622 10.680 -4.270 1.00 0.00 O ATOM 159 CB ASP A 13 102.917 8.313 -5.512 1.00 0.00 C ATOM 160 CG ASP A 13 102.291 8.734 -4.187 1.00 0.00 C ATOM 161 OD1 ASP A 13 102.250 9.926 -3.925 1.00 0.00 O ATOM 162 OD2 ASP A 13 101.860 7.859 -3.455 1.00 0.00 O ATOM 0 H ASP A 13 104.462 7.596 -3.690 1.00 0.00 H new ATOM 0 HA ASP A 13 104.855 8.313 -6.459 1.00 0.00 H new ATOM 0 HB2 ASP A 13 102.425 8.831 -6.336 1.00 0.00 H new ATOM 0 HB3 ASP A 13 102.766 7.245 -5.671 1.00 0.00 H new ATOM 167 N ALA A 14 104.791 10.795 -6.516 1.00 0.00 N ATOM 168 CA ALA A 14 105.071 12.225 -6.539 1.00 0.00 C ATOM 169 C ALA A 14 103.833 13.025 -6.927 1.00 0.00 C ATOM 170 O ALA A 14 103.039 12.600 -7.766 1.00 0.00 O ATOM 171 CB ALA A 14 106.191 12.517 -7.539 1.00 0.00 C ATOM 0 H ALA A 14 104.743 10.360 -7.437 1.00 0.00 H new ATOM 0 HA ALA A 14 105.377 12.523 -5.536 1.00 0.00 H new ATOM 0 HB1 ALA A 14 106.397 13.587 -7.553 1.00 0.00 H new ATOM 0 HB2 ALA A 14 107.091 11.978 -7.244 1.00 0.00 H new ATOM 0 HB3 ALA A 14 105.884 12.194 -8.534 1.00 0.00 H new ATOM 177 N GLN A 15 103.684 14.187 -6.304 1.00 0.00 N ATOM 178 CA GLN A 15 102.604 15.104 -6.647 1.00 0.00 C ATOM 179 C GLN A 15 103.104 16.039 -7.745 1.00 0.00 C ATOM 180 O GLN A 15 104.304 16.285 -7.849 1.00 0.00 O ATOM 181 CB GLN A 15 102.201 15.904 -5.404 1.00 0.00 C ATOM 182 CG GLN A 15 100.899 16.669 -5.657 1.00 0.00 C ATOM 183 CD GLN A 15 99.732 15.692 -5.753 1.00 0.00 C ATOM 184 OE1 GLN A 15 99.628 14.766 -4.948 1.00 0.00 O ATOM 185 NE2 GLN A 15 98.841 15.844 -6.694 1.00 0.00 N ATOM 0 H GLN A 15 104.297 14.517 -5.559 1.00 0.00 H new ATOM 0 HA GLN A 15 101.731 14.556 -7.002 1.00 0.00 H new ATOM 0 HB2 GLN A 15 102.075 15.231 -4.556 1.00 0.00 H new ATOM 0 HB3 GLN A 15 102.995 16.603 -5.141 1.00 0.00 H new ATOM 0 HG2 GLN A 15 100.723 17.381 -4.851 1.00 0.00 H new ATOM 0 HG3 GLN A 15 100.979 17.245 -6.579 1.00 0.00 H new ATOM 0 HE21 GLN A 15 98.929 16.612 -7.360 1.00 0.00 H new ATOM 0 HE22 GLN A 15 98.057 15.195 -6.764 1.00 0.00 H new ATOM 194 N GLY A 16 102.194 16.557 -8.571 1.00 0.00 N ATOM 195 CA GLY A 16 102.589 17.365 -9.727 1.00 0.00 C ATOM 196 C GLY A 16 103.583 18.462 -9.345 1.00 0.00 C ATOM 197 O GLY A 16 103.587 18.939 -8.209 1.00 0.00 O ATOM 0 H GLY A 16 101.187 16.434 -8.464 1.00 0.00 H new ATOM 0 HA2 GLY A 16 103.034 16.720 -10.485 1.00 0.00 H new ATOM 0 HA3 GLY A 16 101.703 17.817 -10.173 1.00 0.00 H new ATOM 201 N GLN A 17 104.425 18.849 -10.305 1.00 0.00 N ATOM 202 CA GLN A 17 105.508 19.813 -10.062 1.00 0.00 C ATOM 203 C GLN A 17 106.628 19.227 -9.177 1.00 0.00 C ATOM 204 O GLN A 17 107.633 19.894 -8.930 1.00 0.00 O ATOM 205 CB GLN A 17 104.942 21.097 -9.433 1.00 0.00 C ATOM 206 CG GLN A 17 105.942 22.254 -9.562 1.00 0.00 C ATOM 207 CD GLN A 17 105.335 23.558 -9.047 1.00 0.00 C ATOM 208 OE1 GLN A 17 104.142 23.629 -8.746 1.00 0.00 O ATOM 209 NE2 GLN A 17 106.098 24.610 -8.923 1.00 0.00 N ATOM 0 H GLN A 17 104.379 18.509 -11.265 1.00 0.00 H new ATOM 0 HA GLN A 17 105.956 20.050 -11.027 1.00 0.00 H new ATOM 0 HB2 GLN A 17 104.005 21.364 -9.922 1.00 0.00 H new ATOM 0 HB3 GLN A 17 104.715 20.922 -8.381 1.00 0.00 H new ATOM 0 HG2 GLN A 17 106.847 22.022 -9.000 1.00 0.00 H new ATOM 0 HG3 GLN A 17 106.236 22.372 -10.605 1.00 0.00 H new ATOM 0 HE21 GLN A 17 107.086 24.556 -9.171 1.00 0.00 H new ATOM 0 HE22 GLN A 17 105.706 25.486 -8.578 1.00 0.00 H new ATOM 218 N MET A 18 106.498 17.973 -8.736 1.00 0.00 N ATOM 219 CA MET A 18 107.517 17.341 -7.901 1.00 0.00 C ATOM 220 C MET A 18 107.899 15.981 -8.477 1.00 0.00 C ATOM 221 O MET A 18 107.267 15.495 -9.416 1.00 0.00 O ATOM 222 CB MET A 18 106.994 17.163 -6.471 1.00 0.00 C ATOM 223 CG MET A 18 106.569 18.514 -5.885 1.00 0.00 C ATOM 224 SD MET A 18 107.958 19.677 -5.891 1.00 0.00 S ATOM 225 CE MET A 18 109.040 18.757 -4.769 1.00 0.00 C ATOM 0 H MET A 18 105.697 17.377 -8.944 1.00 0.00 H new ATOM 0 HA MET A 18 108.397 17.983 -7.883 1.00 0.00 H new ATOM 0 HB2 MET A 18 106.147 16.476 -6.470 1.00 0.00 H new ATOM 0 HB3 MET A 18 107.768 16.716 -5.847 1.00 0.00 H new ATOM 0 HG2 MET A 18 105.742 18.924 -6.465 1.00 0.00 H new ATOM 0 HG3 MET A 18 106.207 18.377 -4.866 1.00 0.00 H new ATOM 0 HE1 MET A 18 109.594 19.456 -4.143 1.00 0.00 H new ATOM 0 HE2 MET A 18 108.438 18.103 -4.138 1.00 0.00 H new ATOM 0 HE3 MET A 18 109.741 18.157 -5.350 1.00 0.00 H new ATOM 235 N ASN A 19 108.938 15.367 -7.913 1.00 0.00 N ATOM 236 CA ASN A 19 109.435 14.087 -8.413 1.00 0.00 C ATOM 237 C ASN A 19 109.204 12.968 -7.397 1.00 0.00 C ATOM 238 O ASN A 19 108.832 13.221 -6.251 1.00 0.00 O ATOM 239 CB ASN A 19 110.930 14.201 -8.718 1.00 0.00 C ATOM 240 CG ASN A 19 111.697 14.563 -7.451 1.00 0.00 C ATOM 241 OD1 ASN A 19 112.153 13.679 -6.727 1.00 0.00 O ATOM 242 ND2 ASN A 19 111.863 15.820 -7.138 1.00 0.00 N ATOM 0 H ASN A 19 109.451 15.734 -7.111 1.00 0.00 H new ATOM 0 HA ASN A 19 108.887 13.841 -9.323 1.00 0.00 H new ATOM 0 HB2 ASN A 19 111.300 13.258 -9.119 1.00 0.00 H new ATOM 0 HB3 ASN A 19 111.096 14.960 -9.482 1.00 0.00 H new ATOM 0 HD21 ASN A 19 112.372 16.072 -6.291 1.00 0.00 H new ATOM 0 HD22 ASN A 19 111.483 16.550 -7.741 1.00 0.00 H new ATOM 249 N LYS A 20 109.430 11.731 -7.833 1.00 0.00 N ATOM 250 CA LYS A 20 109.239 10.568 -6.970 1.00 0.00 C ATOM 251 C LYS A 20 110.467 10.344 -6.091 1.00 0.00 C ATOM 252 O LYS A 20 111.499 10.988 -6.279 1.00 0.00 O ATOM 253 CB LYS A 20 108.990 9.322 -7.821 1.00 0.00 C ATOM 254 CG LYS A 20 107.681 9.484 -8.595 1.00 0.00 C ATOM 255 CD LYS A 20 107.380 8.197 -9.367 1.00 0.00 C ATOM 256 CE LYS A 20 106.138 8.399 -10.235 1.00 0.00 C ATOM 257 NZ LYS A 20 105.716 7.090 -10.811 1.00 0.00 N ATOM 0 H LYS A 20 109.745 11.508 -8.777 1.00 0.00 H new ATOM 0 HA LYS A 20 108.376 10.753 -6.331 1.00 0.00 H new ATOM 0 HB2 LYS A 20 109.818 9.171 -8.514 1.00 0.00 H new ATOM 0 HB3 LYS A 20 108.941 8.438 -7.185 1.00 0.00 H new ATOM 0 HG2 LYS A 20 106.865 9.707 -7.907 1.00 0.00 H new ATOM 0 HG3 LYS A 20 107.756 10.325 -9.284 1.00 0.00 H new ATOM 0 HD2 LYS A 20 108.232 7.927 -9.991 1.00 0.00 H new ATOM 0 HD3 LYS A 20 107.220 7.373 -8.672 1.00 0.00 H new ATOM 0 HE2 LYS A 20 105.330 8.824 -9.639 1.00 0.00 H new ATOM 0 HE3 LYS A 20 106.351 9.108 -11.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 104.871 7.227 -11.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 106.486 6.702 -11.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 105.496 6.427 -10.041 1.00 0.00 H new ATOM 271 N MET A 21 110.350 9.430 -5.131 1.00 0.00 N ATOM 272 CA MET A 21 111.453 9.161 -4.206 1.00 0.00 C ATOM 273 C MET A 21 111.745 7.666 -4.152 1.00 0.00 C ATOM 274 O MET A 21 110.865 6.852 -4.424 1.00 0.00 O ATOM 275 CB MET A 21 111.089 9.655 -2.802 1.00 0.00 C ATOM 276 CG MET A 21 110.776 11.155 -2.830 1.00 0.00 C ATOM 277 SD MET A 21 112.207 12.087 -3.437 1.00 0.00 S ATOM 278 CE MET A 21 113.347 11.668 -2.095 1.00 0.00 C ATOM 0 H MET A 21 109.514 8.868 -4.972 1.00 0.00 H new ATOM 0 HA MET A 21 112.339 9.687 -4.561 1.00 0.00 H new ATOM 0 HB2 MET A 21 110.227 9.104 -2.427 1.00 0.00 H new ATOM 0 HB3 MET A 21 111.914 9.461 -2.116 1.00 0.00 H new ATOM 0 HG2 MET A 21 109.914 11.341 -3.471 1.00 0.00 H new ATOM 0 HG3 MET A 21 110.509 11.496 -1.830 1.00 0.00 H new ATOM 0 HE1 MET A 21 113.996 12.519 -1.890 1.00 0.00 H new ATOM 0 HE2 MET A 21 112.778 11.421 -1.198 1.00 0.00 H new ATOM 0 HE3 MET A 21 113.954 10.811 -2.387 1.00 0.00 H new ATOM 288 N GLY A 22 112.974 7.306 -3.780 1.00 0.00 N ATOM 289 CA GLY A 22 113.356 5.898 -3.691 1.00 0.00 C ATOM 290 C GLY A 22 113.866 5.582 -2.291 1.00 0.00 C ATOM 291 O GLY A 22 114.526 6.412 -1.670 1.00 0.00 O ATOM 0 H GLY A 22 113.715 7.964 -3.538 1.00 0.00 H new ATOM 0 HA2 GLY A 22 112.500 5.265 -3.926 1.00 0.00 H new ATOM 0 HA3 GLY A 22 114.129 5.675 -4.427 1.00 0.00 H new ATOM 295 N GLY A 23 113.558 4.388 -1.794 1.00 0.00 N ATOM 296 CA GLY A 23 113.952 4.014 -0.438 1.00 0.00 C ATOM 297 C GLY A 23 114.476 2.585 -0.372 1.00 0.00 C ATOM 298 O GLY A 23 113.983 1.703 -1.070 1.00 0.00 O ATOM 0 H GLY A 23 113.043 3.669 -2.302 1.00 0.00 H new ATOM 0 HA2 GLY A 23 114.721 4.699 -0.081 1.00 0.00 H new ATOM 0 HA3 GLY A 23 113.097 4.118 0.230 1.00 0.00 H new ATOM 302 N PHE A 24 115.486 2.368 0.465 1.00 0.00 N ATOM 303 CA PHE A 24 116.021 1.026 0.681 1.00 0.00 C ATOM 304 C PHE A 24 115.600 0.533 2.060 1.00 0.00 C ATOM 305 O PHE A 24 115.742 1.263 3.041 1.00 0.00 O ATOM 306 CB PHE A 24 117.548 1.047 0.588 1.00 0.00 C ATOM 307 CG PHE A 24 118.061 1.469 -0.768 1.00 0.00 C ATOM 308 CD1 PHE A 24 118.292 0.509 -1.760 1.00 0.00 C ATOM 309 CD2 PHE A 24 118.306 2.822 -1.033 1.00 0.00 C ATOM 310 CE1 PHE A 24 118.768 0.899 -3.017 1.00 0.00 C ATOM 311 CE2 PHE A 24 118.781 3.213 -2.291 1.00 0.00 C ATOM 312 CZ PHE A 24 119.013 2.252 -3.283 1.00 0.00 C ATOM 0 H PHE A 24 115.949 3.100 1.003 1.00 0.00 H new ATOM 0 HA PHE A 24 115.630 0.356 -0.085 1.00 0.00 H new ATOM 0 HB2 PHE A 24 117.941 1.726 1.344 1.00 0.00 H new ATOM 0 HB3 PHE A 24 117.932 0.054 0.821 1.00 0.00 H new ATOM 0 HD1 PHE A 24 118.103 -0.534 -1.555 1.00 0.00 H new ATOM 0 HD2 PHE A 24 118.129 3.563 -0.268 1.00 0.00 H new ATOM 0 HE1 PHE A 24 118.946 0.157 -3.781 1.00 0.00 H new ATOM 0 HE2 PHE A 24 118.969 4.257 -2.496 1.00 0.00 H new ATOM 0 HZ PHE A 24 119.381 2.554 -4.253 1.00 0.00 H new ATOM 322 N ASN A 25 115.073 -0.692 2.128 1.00 0.00 N ATOM 323 CA ASN A 25 114.541 -1.224 3.383 1.00 0.00 C ATOM 324 C ASN A 25 115.278 -2.488 3.812 1.00 0.00 C ATOM 325 O ASN A 25 115.525 -3.374 2.992 1.00 0.00 O ATOM 326 CB ASN A 25 113.057 -1.557 3.212 1.00 0.00 C ATOM 327 CG ASN A 25 112.259 -0.306 2.853 1.00 0.00 C ATOM 328 OD1 ASN A 25 112.734 0.815 3.033 1.00 0.00 O ATOM 329 ND2 ASN A 25 111.061 -0.433 2.351 1.00 0.00 N ATOM 0 H ASN A 25 115.004 -1.329 1.335 1.00 0.00 H new ATOM 0 HA ASN A 25 114.678 -0.462 4.150 1.00 0.00 H new ATOM 0 HB2 ASN A 25 112.936 -2.308 2.431 1.00 0.00 H new ATOM 0 HB3 ASN A 25 112.668 -1.990 4.134 1.00 0.00 H new ATOM 0 HD21 ASN A 25 110.519 0.396 2.108 1.00 0.00 H new ATOM 0 HD22 ASN A 25 110.667 -1.362 2.201 1.00 0.00 H new ATOM 336 N LEU A 26 115.619 -2.558 5.099 1.00 0.00 N ATOM 337 CA LEU A 26 116.222 -3.758 5.675 1.00 0.00 C ATOM 338 C LEU A 26 115.311 -4.311 6.766 1.00 0.00 C ATOM 339 O LEU A 26 114.802 -3.543 7.586 1.00 0.00 O ATOM 340 CB LEU A 26 117.593 -3.412 6.263 1.00 0.00 C ATOM 341 CG LEU A 26 118.376 -4.695 6.590 1.00 0.00 C ATOM 342 CD1 LEU A 26 119.880 -4.435 6.443 1.00 0.00 C ATOM 343 CD2 LEU A 26 118.078 -5.137 8.029 1.00 0.00 C ATOM 0 H LEU A 26 115.487 -1.795 5.763 1.00 0.00 H new ATOM 0 HA LEU A 26 116.348 -4.512 4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 26 118.157 -2.805 5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 26 117.468 -2.815 7.166 1.00 0.00 H new ATOM 0 HG LEU A 26 118.071 -5.481 5.899 1.00 0.00 H new ATOM 0 HD11 LEU A 26 120.431 -5.346 6.675 1.00 0.00 H new ATOM 0 HD12 LEU A 26 120.098 -4.130 5.420 1.00 0.00 H new ATOM 0 HD13 LEU A 26 120.181 -3.644 7.129 1.00 0.00 H new ATOM 0 HD21 LEU A 26 118.636 -6.046 8.253 1.00 0.00 H new ATOM 0 HD22 LEU A 26 118.375 -4.349 8.721 1.00 0.00 H new ATOM 0 HD23 LEU A 26 117.011 -5.331 8.137 1.00 0.00 H new ATOM 355 N LYS A 27 115.113 -5.633 6.780 1.00 0.00 N ATOM 356 CA LYS A 27 114.143 -6.250 7.689 1.00 0.00 C ATOM 357 C LYS A 27 114.827 -7.210 8.664 1.00 0.00 C ATOM 358 O LYS A 27 115.782 -7.897 8.304 1.00 0.00 O ATOM 359 CB LYS A 27 113.104 -7.055 6.893 1.00 0.00 C ATOM 360 CG LYS A 27 112.473 -6.207 5.784 1.00 0.00 C ATOM 361 CD LYS A 27 111.739 -5.014 6.394 1.00 0.00 C ATOM 362 CE LYS A 27 110.960 -4.277 5.305 1.00 0.00 C ATOM 363 NZ LYS A 27 109.668 -4.979 5.057 1.00 0.00 N ATOM 0 H LYS A 27 115.607 -6.291 6.178 1.00 0.00 H new ATOM 0 HA LYS A 27 113.664 -5.442 8.243 1.00 0.00 H new ATOM 0 HB2 LYS A 27 113.579 -7.934 6.456 1.00 0.00 H new ATOM 0 HB3 LYS A 27 112.326 -7.414 7.566 1.00 0.00 H new ATOM 0 HG2 LYS A 27 113.245 -5.858 5.098 1.00 0.00 H new ATOM 0 HG3 LYS A 27 111.779 -6.813 5.202 1.00 0.00 H new ATOM 0 HD2 LYS A 27 111.058 -5.354 7.175 1.00 0.00 H new ATOM 0 HD3 LYS A 27 112.452 -4.338 6.865 1.00 0.00 H new ATOM 0 HE2 LYS A 27 110.774 -3.247 5.610 1.00 0.00 H new ATOM 0 HE3 LYS A 27 111.547 -4.237 4.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 109.393 -4.858 4.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 109.778 -5.992 5.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 108.931 -4.577 5.671 1.00 0.00 H new ATOM 377 N TYR A 28 114.327 -7.250 9.898 1.00 0.00 N ATOM 378 CA TYR A 28 114.761 -8.250 10.867 1.00 0.00 C ATOM 379 C TYR A 28 113.532 -8.852 11.544 1.00 0.00 C ATOM 380 O TYR A 28 112.664 -8.115 12.006 1.00 0.00 O ATOM 381 CB TYR A 28 115.670 -7.610 11.916 1.00 0.00 C ATOM 382 CG TYR A 28 116.246 -8.603 12.900 1.00 0.00 C ATOM 383 CD1 TYR A 28 115.556 -8.896 14.082 1.00 0.00 C ATOM 384 CD2 TYR A 28 117.467 -9.230 12.627 1.00 0.00 C ATOM 385 CE1 TYR A 28 116.090 -9.816 14.993 1.00 0.00 C ATOM 386 CE2 TYR A 28 118.002 -10.149 13.537 1.00 0.00 C ATOM 387 CZ TYR A 28 117.313 -10.442 14.721 1.00 0.00 C ATOM 388 OH TYR A 28 117.838 -11.349 15.620 1.00 0.00 O ATOM 0 H TYR A 28 113.622 -6.602 10.248 1.00 0.00 H new ATOM 0 HA TYR A 28 115.321 -9.032 10.354 1.00 0.00 H new ATOM 0 HB2 TYR A 28 116.487 -7.094 11.412 1.00 0.00 H new ATOM 0 HB3 TYR A 28 115.105 -6.854 12.462 1.00 0.00 H new ATOM 0 HD1 TYR A 28 114.613 -8.413 14.291 1.00 0.00 H new ATOM 0 HD2 TYR A 28 117.997 -9.005 11.713 1.00 0.00 H new ATOM 0 HE1 TYR A 28 115.559 -10.043 15.905 1.00 0.00 H new ATOM 0 HE2 TYR A 28 118.945 -10.632 13.327 1.00 0.00 H new ATOM 0 HH TYR A 28 118.690 -11.692 15.279 1.00 0.00 H new ATOM 398 N ARG A 29 113.454 -10.180 11.596 1.00 0.00 N ATOM 399 CA ARG A 29 112.258 -10.839 12.113 1.00 0.00 C ATOM 400 C ARG A 29 112.622 -12.022 13.002 1.00 0.00 C ATOM 401 O ARG A 29 113.596 -12.726 12.733 1.00 0.00 O ATOM 402 CB ARG A 29 111.419 -11.346 10.941 1.00 0.00 C ATOM 403 CG ARG A 29 110.064 -11.849 11.440 1.00 0.00 C ATOM 404 CD ARG A 29 109.307 -12.488 10.273 1.00 0.00 C ATOM 405 NE ARG A 29 109.123 -11.514 9.193 1.00 0.00 N ATOM 406 CZ ARG A 29 109.000 -11.855 7.902 1.00 0.00 C ATOM 407 NH1 ARG A 29 109.034 -13.105 7.501 1.00 0.00 N ATOM 408 NH2 ARG A 29 108.839 -10.913 7.013 1.00 0.00 N ATOM 0 H ARG A 29 114.194 -10.813 11.291 1.00 0.00 H new ATOM 0 HA ARG A 29 111.698 -10.116 12.705 1.00 0.00 H new ATOM 0 HB2 ARG A 29 111.273 -10.546 10.216 1.00 0.00 H new ATOM 0 HB3 ARG A 29 111.947 -12.150 10.427 1.00 0.00 H new ATOM 0 HG2 ARG A 29 110.204 -12.576 12.240 1.00 0.00 H new ATOM 0 HG3 ARG A 29 109.486 -11.024 11.856 1.00 0.00 H new ATOM 0 HD2 ARG A 29 109.858 -13.352 9.903 1.00 0.00 H new ATOM 0 HD3 ARG A 29 108.337 -12.851 10.614 1.00 0.00 H new ATOM 0 HE ARG A 29 109.087 -10.524 9.437 1.00 0.00 H new ATOM 0 HH11 ARG A 29 109.157 -13.855 8.181 1.00 0.00 H new ATOM 0 HH12 ARG A 29 108.937 -13.325 6.510 1.00 0.00 H new ATOM 0 HH21 ARG A 29 108.808 -9.936 7.305 1.00 0.00 H new ATOM 0 HH22 ARG A 29 108.744 -11.154 6.026 1.00 0.00 H new ATOM 422 N TYR A 30 111.843 -12.249 14.058 1.00 0.00 N ATOM 423 CA TYR A 30 112.045 -13.421 14.903 1.00 0.00 C ATOM 424 C TYR A 30 110.888 -14.389 14.691 1.00 0.00 C ATOM 425 O TYR A 30 109.747 -13.958 14.514 1.00 0.00 O ATOM 426 CB TYR A 30 112.117 -13.012 16.375 1.00 0.00 C ATOM 427 CG TYR A 30 112.696 -14.085 17.265 1.00 0.00 C ATOM 428 CD1 TYR A 30 114.077 -14.142 17.481 1.00 0.00 C ATOM 429 CD2 TYR A 30 111.853 -15.026 17.868 1.00 0.00 C ATOM 430 CE1 TYR A 30 114.617 -15.139 18.302 1.00 0.00 C ATOM 431 CE2 TYR A 30 112.393 -16.022 18.690 1.00 0.00 C ATOM 432 CZ TYR A 30 113.774 -16.079 18.908 1.00 0.00 C ATOM 433 OH TYR A 30 114.307 -17.063 19.716 1.00 0.00 O ATOM 0 H TYR A 30 111.074 -11.643 14.346 1.00 0.00 H new ATOM 0 HA TYR A 30 112.985 -13.902 14.633 1.00 0.00 H new ATOM 0 HB2 TYR A 30 112.722 -12.110 16.465 1.00 0.00 H new ATOM 0 HB3 TYR A 30 111.116 -12.761 16.725 1.00 0.00 H new ATOM 0 HD1 TYR A 30 114.727 -13.417 17.014 1.00 0.00 H new ATOM 0 HD2 TYR A 30 110.787 -14.984 17.699 1.00 0.00 H new ATOM 0 HE1 TYR A 30 115.683 -15.183 18.468 1.00 0.00 H new ATOM 0 HE2 TYR A 30 111.743 -16.747 19.157 1.00 0.00 H new ATOM 0 HH TYR A 30 113.586 -17.632 20.058 1.00 0.00 H new ATOM 443 N GLU A 31 111.174 -15.690 14.708 1.00 0.00 N ATOM 444 CA GLU A 31 110.140 -16.677 14.413 1.00 0.00 C ATOM 445 C GLU A 31 109.461 -17.147 15.693 1.00 0.00 C ATOM 446 O GLU A 31 110.113 -17.538 16.661 1.00 0.00 O ATOM 447 CB GLU A 31 110.751 -17.880 13.694 1.00 0.00 C ATOM 448 CG GLU A 31 109.630 -18.804 13.205 1.00 0.00 C ATOM 449 CD GLU A 31 110.179 -20.080 12.552 1.00 0.00 C ATOM 450 OE1 GLU A 31 111.389 -20.253 12.503 1.00 0.00 O ATOM 451 OE2 GLU A 31 109.370 -20.874 12.104 1.00 0.00 O ATOM 0 H GLU A 31 112.093 -16.078 14.918 1.00 0.00 H new ATOM 0 HA GLU A 31 109.396 -16.206 13.770 1.00 0.00 H new ATOM 0 HB2 GLU A 31 111.355 -17.545 12.851 1.00 0.00 H new ATOM 0 HB3 GLU A 31 111.416 -18.421 14.367 1.00 0.00 H new ATOM 0 HG2 GLU A 31 108.990 -19.073 14.045 1.00 0.00 H new ATOM 0 HG3 GLU A 31 109.007 -18.269 12.488 1.00 0.00 H new ATOM 458 N GLU A 32 108.131 -17.099 15.673 1.00 0.00 N ATOM 459 CA GLU A 32 107.323 -17.442 16.837 1.00 0.00 C ATOM 460 C GLU A 32 106.180 -18.375 16.456 1.00 0.00 C ATOM 461 O GLU A 32 105.713 -18.375 15.315 1.00 0.00 O ATOM 462 CB GLU A 32 106.766 -16.175 17.488 1.00 0.00 C ATOM 463 CG GLU A 32 107.915 -15.364 18.095 1.00 0.00 C ATOM 464 CD GLU A 32 108.615 -16.142 19.215 1.00 0.00 C ATOM 465 OE1 GLU A 32 108.048 -17.101 19.717 1.00 0.00 O ATOM 466 OE2 GLU A 32 109.718 -15.755 19.565 1.00 0.00 O ATOM 0 H GLU A 32 107.588 -16.823 14.855 1.00 0.00 H new ATOM 0 HA GLU A 32 107.965 -17.959 17.551 1.00 0.00 H new ATOM 0 HB2 GLU A 32 106.236 -15.576 16.748 1.00 0.00 H new ATOM 0 HB3 GLU A 32 106.044 -16.438 18.261 1.00 0.00 H new ATOM 0 HG2 GLU A 32 108.637 -15.113 17.317 1.00 0.00 H new ATOM 0 HG3 GLU A 32 107.531 -14.423 18.488 1.00 0.00 H new ATOM 473 N ASP A 33 105.737 -19.166 17.425 1.00 0.00 N ATOM 474 CA ASP A 33 104.676 -20.139 17.200 1.00 0.00 C ATOM 475 C ASP A 33 103.322 -19.446 17.095 1.00 0.00 C ATOM 476 O ASP A 33 103.235 -18.217 17.091 1.00 0.00 O ATOM 477 CB ASP A 33 104.647 -21.152 18.346 1.00 0.00 C ATOM 478 CG ASP A 33 105.953 -21.942 18.397 1.00 0.00 C ATOM 479 OD1 ASP A 33 106.547 -22.150 17.350 1.00 0.00 O ATOM 480 OD2 ASP A 33 106.343 -22.331 19.486 1.00 0.00 O ATOM 0 H ASP A 33 106.098 -19.152 18.379 1.00 0.00 H new ATOM 0 HA ASP A 33 104.877 -20.656 16.262 1.00 0.00 H new ATOM 0 HB2 ASP A 33 104.491 -20.634 19.293 1.00 0.00 H new ATOM 0 HB3 ASP A 33 103.807 -21.835 18.214 1.00 0.00 H new ATOM 485 N ASN A 34 102.276 -20.241 16.919 1.00 0.00 N ATOM 486 CA ASN A 34 100.930 -19.699 16.774 1.00 0.00 C ATOM 487 C ASN A 34 100.534 -18.804 17.950 1.00 0.00 C ATOM 488 O ASN A 34 99.799 -17.833 17.760 1.00 0.00 O ATOM 489 CB ASN A 34 99.925 -20.846 16.652 1.00 0.00 C ATOM 490 CG ASN A 34 100.240 -21.687 15.421 1.00 0.00 C ATOM 491 OD1 ASN A 34 100.262 -22.915 15.495 1.00 0.00 O ATOM 492 ND2 ASN A 34 100.483 -21.095 14.283 1.00 0.00 N ATOM 0 H ASN A 34 102.331 -21.258 16.873 1.00 0.00 H new ATOM 0 HA ASN A 34 100.922 -19.086 15.873 1.00 0.00 H new ATOM 0 HB2 ASN A 34 99.961 -21.468 17.546 1.00 0.00 H new ATOM 0 HB3 ASN A 34 98.913 -20.448 16.581 1.00 0.00 H new ATOM 0 HD21 ASN A 34 100.691 -21.651 13.453 1.00 0.00 H new ATOM 0 HD22 ASN A 34 100.464 -20.077 14.224 1.00 0.00 H new ATOM 499 N SER A 35 101.010 -19.115 19.160 1.00 0.00 N ATOM 500 CA SER A 35 100.505 -18.425 20.350 1.00 0.00 C ATOM 501 C SER A 35 101.327 -17.201 20.774 1.00 0.00 C ATOM 502 O SER A 35 100.775 -16.305 21.413 1.00 0.00 O ATOM 503 CB SER A 35 100.452 -19.411 21.518 1.00 0.00 C ATOM 504 OG SER A 35 99.567 -18.911 22.512 1.00 0.00 O ATOM 0 H SER A 35 101.725 -19.820 19.339 1.00 0.00 H new ATOM 0 HA SER A 35 99.516 -18.053 20.083 1.00 0.00 H new ATOM 0 HB2 SER A 35 100.114 -20.387 21.170 1.00 0.00 H new ATOM 0 HB3 SER A 35 101.448 -19.550 21.938 1.00 0.00 H new ATOM 0 HG SER A 35 99.528 -19.540 23.262 1.00 0.00 H new ATOM 510 N PRO A 36 102.600 -17.114 20.464 1.00 0.00 N ATOM 511 CA PRO A 36 103.341 -15.826 20.551 1.00 0.00 C ATOM 512 C PRO A 36 103.548 -15.192 19.176 1.00 0.00 C ATOM 513 O PRO A 36 103.837 -15.881 18.198 1.00 0.00 O ATOM 514 CB PRO A 36 104.679 -16.226 21.195 1.00 0.00 C ATOM 515 CG PRO A 36 104.748 -17.723 21.152 1.00 0.00 C ATOM 516 CD PRO A 36 103.565 -18.208 20.314 1.00 0.00 C ATOM 0 HA PRO A 36 102.802 -15.071 21.124 1.00 0.00 H new ATOM 0 HB2 PRO A 36 105.516 -15.784 20.654 1.00 0.00 H new ATOM 0 HB3 PRO A 36 104.737 -15.865 22.222 1.00 0.00 H new ATOM 0 HG2 PRO A 36 105.690 -18.052 20.714 1.00 0.00 H new ATOM 0 HG3 PRO A 36 104.702 -18.139 22.158 1.00 0.00 H new ATOM 0 HD2 PRO A 36 103.843 -18.364 19.272 1.00 0.00 H new ATOM 0 HD3 PRO A 36 103.167 -19.153 20.683 1.00 0.00 H new ATOM 524 N LEU A 37 103.387 -13.872 19.110 1.00 0.00 N ATOM 525 CA LEU A 37 103.500 -13.149 17.846 1.00 0.00 C ATOM 526 C LEU A 37 104.961 -12.949 17.450 1.00 0.00 C ATOM 527 O LEU A 37 105.841 -12.882 18.304 1.00 0.00 O ATOM 528 CB LEU A 37 102.813 -11.785 17.959 1.00 0.00 C ATOM 529 CG LEU A 37 101.348 -11.965 18.372 1.00 0.00 C ATOM 530 CD1 LEU A 37 100.703 -10.591 18.570 1.00 0.00 C ATOM 531 CD2 LEU A 37 100.590 -12.722 17.277 1.00 0.00 C ATOM 0 H LEU A 37 103.178 -13.282 19.916 1.00 0.00 H new ATOM 0 HA LEU A 37 103.012 -13.746 17.076 1.00 0.00 H new ATOM 0 HB2 LEU A 37 103.332 -11.167 18.692 1.00 0.00 H new ATOM 0 HB3 LEU A 37 102.868 -11.261 17.005 1.00 0.00 H new ATOM 0 HG LEU A 37 101.305 -12.532 19.302 1.00 0.00 H new ATOM 0 HD11 LEU A 37 99.661 -10.717 18.864 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.237 -10.048 19.350 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.752 -10.029 17.638 1.00 0.00 H new ATOM 0 HD21 LEU A 37 99.549 -12.847 17.575 1.00 0.00 H new ATOM 0 HD22 LEU A 37 100.635 -12.157 16.346 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.046 -13.701 17.129 1.00 0.00 H new ATOM 543 N GLY A 38 105.199 -12.837 16.146 1.00 0.00 N ATOM 544 CA GLY A 38 106.554 -12.647 15.629 1.00 0.00 C ATOM 545 C GLY A 38 106.895 -11.163 15.581 1.00 0.00 C ATOM 546 O GLY A 38 106.042 -10.352 15.226 1.00 0.00 O ATOM 0 H GLY A 38 104.475 -12.874 15.429 1.00 0.00 H new ATOM 0 HA2 GLY A 38 107.270 -13.172 16.262 1.00 0.00 H new ATOM 0 HA3 GLY A 38 106.634 -13.079 14.631 1.00 0.00 H new ATOM 550 N VAL A 39 108.130 -10.797 15.930 1.00 0.00 N ATOM 551 CA VAL A 39 108.490 -9.382 16.016 1.00 0.00 C ATOM 552 C VAL A 39 109.313 -8.976 14.800 1.00 0.00 C ATOM 553 O VAL A 39 110.307 -9.620 14.468 1.00 0.00 O ATOM 554 CB VAL A 39 109.275 -9.095 17.304 1.00 0.00 C ATOM 555 CG1 VAL A 39 108.356 -9.305 18.509 1.00 0.00 C ATOM 556 CG2 VAL A 39 110.480 -10.034 17.423 1.00 0.00 C ATOM 0 H VAL A 39 108.884 -11.447 16.154 1.00 0.00 H new ATOM 0 HA VAL A 39 107.571 -8.796 16.037 1.00 0.00 H new ATOM 0 HB VAL A 39 109.633 -8.066 17.275 1.00 0.00 H new ATOM 0 HG11 VAL A 39 108.908 -9.103 19.427 1.00 0.00 H new ATOM 0 HG12 VAL A 39 107.505 -8.627 18.440 1.00 0.00 H new ATOM 0 HG13 VAL A 39 107.999 -10.335 18.520 1.00 0.00 H new ATOM 0 HG21 VAL A 39 111.023 -9.814 18.342 1.00 0.00 H new ATOM 0 HG22 VAL A 39 110.135 -11.068 17.443 1.00 0.00 H new ATOM 0 HG23 VAL A 39 111.140 -9.889 16.568 1.00 0.00 H new ATOM 566 N ILE A 40 108.881 -7.915 14.119 1.00 0.00 N ATOM 567 CA ILE A 40 109.584 -7.444 12.931 1.00 0.00 C ATOM 568 C ILE A 40 109.917 -5.967 13.087 1.00 0.00 C ATOM 569 O ILE A 40 109.113 -5.194 13.607 1.00 0.00 O ATOM 570 CB ILE A 40 108.719 -7.701 11.689 1.00 0.00 C ATOM 571 CG1 ILE A 40 109.521 -7.448 10.393 1.00 0.00 C ATOM 572 CG2 ILE A 40 107.427 -6.873 11.731 1.00 0.00 C ATOM 573 CD1 ILE A 40 109.727 -5.960 10.045 1.00 0.00 C ATOM 0 H ILE A 40 108.055 -7.371 14.368 1.00 0.00 H new ATOM 0 HA ILE A 40 110.521 -7.988 12.809 1.00 0.00 H new ATOM 0 HB ILE A 40 108.428 -8.752 11.692 1.00 0.00 H new ATOM 0 HG12 ILE A 40 110.497 -7.924 10.487 1.00 0.00 H new ATOM 0 HG13 ILE A 40 109.008 -7.934 9.563 1.00 0.00 H new ATOM 0 HG21 ILE A 40 106.835 -7.076 10.838 1.00 0.00 H new ATOM 0 HG22 ILE A 40 106.851 -7.142 12.617 1.00 0.00 H new ATOM 0 HG23 ILE A 40 107.676 -5.812 11.768 1.00 0.00 H new ATOM 0 HD11 ILE A 40 110.299 -5.878 9.121 1.00 0.00 H new ATOM 0 HD12 ILE A 40 108.757 -5.479 9.915 1.00 0.00 H new ATOM 0 HD13 ILE A 40 110.270 -5.469 10.853 1.00 0.00 H new ATOM 585 N GLY A 41 111.111 -5.595 12.643 1.00 0.00 N ATOM 586 CA GLY A 41 111.535 -4.204 12.677 1.00 0.00 C ATOM 587 C GLY A 41 112.288 -3.879 11.399 1.00 0.00 C ATOM 588 O GLY A 41 113.001 -4.730 10.868 1.00 0.00 O ATOM 0 H GLY A 41 111.802 -6.238 12.256 1.00 0.00 H new ATOM 0 HA2 GLY A 41 110.669 -3.550 12.779 1.00 0.00 H new ATOM 0 HA3 GLY A 41 112.172 -4.027 13.543 1.00 0.00 H new ATOM 592 N SER A 42 112.110 -2.666 10.892 1.00 0.00 N ATOM 593 CA SER A 42 112.749 -2.283 9.638 1.00 0.00 C ATOM 594 C SER A 42 113.214 -0.837 9.695 1.00 0.00 C ATOM 595 O SER A 42 112.657 -0.029 10.435 1.00 0.00 O ATOM 596 CB SER A 42 111.763 -2.444 8.483 1.00 0.00 C ATOM 597 OG SER A 42 110.794 -1.408 8.545 1.00 0.00 O ATOM 0 H SER A 42 111.537 -1.939 11.321 1.00 0.00 H new ATOM 0 HA SER A 42 113.612 -2.930 9.482 1.00 0.00 H new ATOM 0 HB2 SER A 42 112.292 -2.407 7.531 1.00 0.00 H new ATOM 0 HB3 SER A 42 111.276 -3.417 8.539 1.00 0.00 H new ATOM 0 HG SER A 42 110.045 -1.694 9.108 1.00 0.00 H new ATOM 603 N PHE A 43 114.220 -0.516 8.889 1.00 0.00 N ATOM 604 CA PHE A 43 114.660 0.870 8.755 1.00 0.00 C ATOM 605 C PHE A 43 114.793 1.231 7.284 1.00 0.00 C ATOM 606 O PHE A 43 115.198 0.404 6.465 1.00 0.00 O ATOM 607 CB PHE A 43 115.979 1.112 9.497 1.00 0.00 C ATOM 608 CG PHE A 43 117.130 0.236 9.058 1.00 0.00 C ATOM 609 CD1 PHE A 43 117.967 0.645 8.013 1.00 0.00 C ATOM 610 CD2 PHE A 43 117.377 -0.974 9.720 1.00 0.00 C ATOM 611 CE1 PHE A 43 119.050 -0.153 7.630 1.00 0.00 C ATOM 612 CE2 PHE A 43 118.461 -1.774 9.333 1.00 0.00 C ATOM 613 CZ PHE A 43 119.296 -1.362 8.289 1.00 0.00 C ATOM 0 H PHE A 43 114.741 -1.187 8.324 1.00 0.00 H new ATOM 0 HA PHE A 43 113.908 1.514 9.210 1.00 0.00 H new ATOM 0 HB2 PHE A 43 116.266 2.155 9.366 1.00 0.00 H new ATOM 0 HB3 PHE A 43 115.812 0.959 10.563 1.00 0.00 H new ATOM 0 HD1 PHE A 43 117.776 1.577 7.502 1.00 0.00 H new ATOM 0 HD2 PHE A 43 116.733 -1.290 10.527 1.00 0.00 H new ATOM 0 HE1 PHE A 43 119.696 0.164 6.825 1.00 0.00 H new ATOM 0 HE2 PHE A 43 118.651 -2.708 9.841 1.00 0.00 H new ATOM 0 HZ PHE A 43 120.132 -1.978 7.991 1.00 0.00 H new ATOM 623 N THR A 44 114.411 2.464 6.963 1.00 0.00 N ATOM 624 CA THR A 44 114.385 2.928 5.581 1.00 0.00 C ATOM 625 C THR A 44 115.169 4.227 5.429 1.00 0.00 C ATOM 626 O THR A 44 115.056 5.129 6.261 1.00 0.00 O ATOM 627 CB THR A 44 112.930 3.156 5.152 1.00 0.00 C ATOM 628 OG1 THR A 44 112.192 1.957 5.344 1.00 0.00 O ATOM 629 CG2 THR A 44 112.867 3.561 3.675 1.00 0.00 C ATOM 0 H THR A 44 114.114 3.162 7.645 1.00 0.00 H new ATOM 0 HA THR A 44 114.848 2.170 4.949 1.00 0.00 H new ATOM 0 HB THR A 44 112.503 3.957 5.756 1.00 0.00 H new ATOM 0 HG1 THR A 44 112.431 1.311 4.647 1.00 0.00 H new ATOM 0 HG21 THR A 44 111.828 3.719 3.385 1.00 0.00 H new ATOM 0 HG22 THR A 44 113.430 4.483 3.526 1.00 0.00 H new ATOM 0 HG23 THR A 44 113.298 2.770 3.062 1.00 0.00 H new ATOM 637 N TYR A 45 115.943 4.304 4.349 1.00 0.00 N ATOM 638 CA TYR A 45 116.639 5.536 3.984 1.00 0.00 C ATOM 639 C TYR A 45 116.144 6.001 2.620 1.00 0.00 C ATOM 640 O TYR A 45 116.067 5.199 1.692 1.00 0.00 O ATOM 641 CB TYR A 45 118.149 5.297 3.915 1.00 0.00 C ATOM 642 CG TYR A 45 118.765 4.884 5.231 1.00 0.00 C ATOM 643 CD1 TYR A 45 119.112 5.858 6.177 1.00 0.00 C ATOM 644 CD2 TYR A 45 118.998 3.531 5.503 1.00 0.00 C ATOM 645 CE1 TYR A 45 119.692 5.476 7.394 1.00 0.00 C ATOM 646 CE2 TYR A 45 119.575 3.150 6.721 1.00 0.00 C ATOM 647 CZ TYR A 45 119.923 4.122 7.665 1.00 0.00 C ATOM 648 OH TYR A 45 120.493 3.747 8.863 1.00 0.00 O ATOM 0 H TYR A 45 116.104 3.526 3.710 1.00 0.00 H new ATOM 0 HA TYR A 45 116.436 6.295 4.739 1.00 0.00 H new ATOM 0 HB2 TYR A 45 118.351 4.525 3.173 1.00 0.00 H new ATOM 0 HB3 TYR A 45 118.636 6.208 3.568 1.00 0.00 H new ATOM 0 HD1 TYR A 45 118.932 6.902 5.968 1.00 0.00 H new ATOM 0 HD2 TYR A 45 118.733 2.780 4.773 1.00 0.00 H new ATOM 0 HE1 TYR A 45 119.961 6.226 8.123 1.00 0.00 H new ATOM 0 HE2 TYR A 45 119.751 2.105 6.931 1.00 0.00 H new ATOM 0 HH TYR A 45 120.583 2.772 8.891 1.00 0.00 H new ATOM 658 N THR A 46 115.822 7.288 2.494 1.00 0.00 N ATOM 659 CA THR A 46 115.258 7.813 1.251 1.00 0.00 C ATOM 660 C THR A 46 116.277 8.672 0.513 1.00 0.00 C ATOM 661 O THR A 46 117.072 9.379 1.131 1.00 0.00 O ATOM 662 CB THR A 46 114.012 8.647 1.555 1.00 0.00 C ATOM 663 OG1 THR A 46 113.112 7.880 2.343 1.00 0.00 O ATOM 664 CG2 THR A 46 113.332 9.051 0.247 1.00 0.00 C ATOM 0 H THR A 46 115.941 7.982 3.232 1.00 0.00 H new ATOM 0 HA THR A 46 114.988 6.969 0.616 1.00 0.00 H new ATOM 0 HB THR A 46 114.301 9.545 2.102 1.00 0.00 H new ATOM 0 HG1 THR A 46 112.212 8.262 2.276 1.00 0.00 H new ATOM 0 HG21 THR A 46 112.445 9.645 0.466 1.00 0.00 H new ATOM 0 HG22 THR A 46 114.023 9.640 -0.356 1.00 0.00 H new ATOM 0 HG23 THR A 46 113.042 8.156 -0.304 1.00 0.00 H new ATOM 672 N GLU A 47 116.246 8.610 -0.816 1.00 0.00 N ATOM 673 CA GLU A 47 117.196 9.360 -1.627 1.00 0.00 C ATOM 674 C GLU A 47 116.525 9.903 -2.883 1.00 0.00 C ATOM 675 O GLU A 47 115.490 9.392 -3.316 1.00 0.00 O ATOM 676 CB GLU A 47 118.369 8.460 -2.022 1.00 0.00 C ATOM 677 CG GLU A 47 119.092 7.978 -0.760 1.00 0.00 C ATOM 678 CD GLU A 47 119.678 9.149 0.034 1.00 0.00 C ATOM 679 OE1 GLU A 47 119.822 10.228 -0.520 1.00 0.00 O ATOM 680 OE2 GLU A 47 119.976 8.946 1.200 1.00 0.00 O ATOM 0 H GLU A 47 115.578 8.052 -1.349 1.00 0.00 H new ATOM 0 HA GLU A 47 117.562 10.199 -1.036 1.00 0.00 H new ATOM 0 HB2 GLU A 47 118.009 7.606 -2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 47 119.060 9.006 -2.664 1.00 0.00 H new ATOM 0 HG2 GLU A 47 118.396 7.423 -0.131 1.00 0.00 H new ATOM 0 HG3 GLU A 47 119.890 7.290 -1.037 1.00 0.00 H new ATOM 687 N LYS A 48 117.123 10.945 -3.450 1.00 0.00 N ATOM 688 CA LYS A 48 116.632 11.532 -4.690 1.00 0.00 C ATOM 689 C LYS A 48 117.796 11.761 -5.649 1.00 0.00 C ATOM 690 O LYS A 48 118.850 12.240 -5.238 1.00 0.00 O ATOM 691 CB LYS A 48 115.941 12.867 -4.398 1.00 0.00 C ATOM 692 CG LYS A 48 115.321 13.420 -5.683 1.00 0.00 C ATOM 693 CD LYS A 48 114.539 14.698 -5.372 1.00 0.00 C ATOM 694 CE LYS A 48 115.498 15.820 -4.970 1.00 0.00 C ATOM 695 NZ LYS A 48 116.508 16.028 -6.045 1.00 0.00 N ATOM 0 H LYS A 48 117.952 11.401 -3.068 1.00 0.00 H new ATOM 0 HA LYS A 48 115.916 10.849 -5.146 1.00 0.00 H new ATOM 0 HB2 LYS A 48 115.169 12.730 -3.640 1.00 0.00 H new ATOM 0 HB3 LYS A 48 116.661 13.579 -3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 48 116.102 13.629 -6.414 1.00 0.00 H new ATOM 0 HG3 LYS A 48 114.659 12.677 -6.128 1.00 0.00 H new ATOM 0 HD2 LYS A 48 113.960 15.000 -6.245 1.00 0.00 H new ATOM 0 HD3 LYS A 48 113.828 14.511 -4.567 1.00 0.00 H new ATOM 0 HE2 LYS A 48 114.942 16.742 -4.797 1.00 0.00 H new ATOM 0 HE3 LYS A 48 115.996 15.568 -4.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 117.072 16.876 -5.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 117.135 15.200 -6.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 116.024 16.154 -6.957 1.00 0.00 H new ATOM 709 N SER A 49 117.586 11.429 -6.921 1.00 0.00 N ATOM 710 CA SER A 49 118.624 11.573 -7.941 1.00 0.00 C ATOM 711 C SER A 49 119.834 10.686 -7.627 1.00 0.00 C ATOM 712 O SER A 49 119.959 9.597 -8.183 1.00 0.00 O ATOM 713 CB SER A 49 119.035 13.046 -8.072 1.00 0.00 C ATOM 714 OG SER A 49 117.887 13.822 -8.391 1.00 0.00 O ATOM 0 H SER A 49 116.703 11.057 -7.271 1.00 0.00 H new ATOM 0 HA SER A 49 118.218 11.242 -8.897 1.00 0.00 H new ATOM 0 HB2 SER A 49 119.479 13.397 -7.141 1.00 0.00 H new ATOM 0 HB3 SER A 49 119.792 13.158 -8.848 1.00 0.00 H new ATOM 0 HG SER A 49 118.168 14.676 -8.782 1.00 0.00 H new ATOM 720 N ARG A 50 120.729 11.142 -6.747 1.00 0.00 N ATOM 721 CA ARG A 50 121.882 10.342 -6.343 1.00 0.00 C ATOM 722 C ARG A 50 122.808 10.119 -7.538 1.00 0.00 C ATOM 723 O ARG A 50 123.115 8.986 -7.916 1.00 0.00 O ATOM 724 CB ARG A 50 121.419 9.002 -5.756 1.00 0.00 C ATOM 725 CG ARG A 50 122.595 8.292 -5.079 1.00 0.00 C ATOM 726 CD ARG A 50 122.133 6.935 -4.546 1.00 0.00 C ATOM 727 NE ARG A 50 123.214 6.291 -3.795 1.00 0.00 N ATOM 728 CZ ARG A 50 123.666 6.739 -2.612 1.00 0.00 C ATOM 729 NH1 ARG A 50 123.167 7.805 -2.034 1.00 0.00 N ATOM 730 NH2 ARG A 50 124.632 6.093 -2.021 1.00 0.00 N ATOM 0 H ARG A 50 120.676 12.059 -6.303 1.00 0.00 H new ATOM 0 HA ARG A 50 122.435 10.879 -5.573 1.00 0.00 H new ATOM 0 HB2 ARG A 50 120.620 9.169 -5.034 1.00 0.00 H new ATOM 0 HB3 ARG A 50 121.009 8.372 -6.545 1.00 0.00 H new ATOM 0 HG2 ARG A 50 123.410 8.157 -5.790 1.00 0.00 H new ATOM 0 HG3 ARG A 50 122.981 8.903 -4.263 1.00 0.00 H new ATOM 0 HD2 ARG A 50 121.262 7.066 -3.904 1.00 0.00 H new ATOM 0 HD3 ARG A 50 121.825 6.297 -5.374 1.00 0.00 H new ATOM 0 HE ARG A 50 123.647 5.457 -4.192 1.00 0.00 H new ATOM 0 HH11 ARG A 50 122.411 8.322 -2.483 1.00 0.00 H new ATOM 0 HH12 ARG A 50 123.535 8.117 -1.135 1.00 0.00 H new ATOM 0 HH21 ARG A 50 125.032 5.262 -2.457 1.00 0.00 H new ATOM 0 HH22 ARG A 50 124.988 6.418 -1.122 1.00 0.00 H new ATOM 744 N THR A 51 123.228 11.220 -8.151 1.00 0.00 N ATOM 745 CA THR A 51 124.158 11.165 -9.276 1.00 0.00 C ATOM 746 C THR A 51 125.353 12.075 -9.011 1.00 0.00 C ATOM 747 O THR A 51 125.199 13.175 -8.482 1.00 0.00 O ATOM 748 CB THR A 51 123.450 11.609 -10.559 1.00 0.00 C ATOM 749 OG1 THR A 51 122.278 10.827 -10.745 1.00 0.00 O ATOM 750 CG2 THR A 51 124.385 11.417 -11.753 1.00 0.00 C ATOM 0 H THR A 51 122.940 12.163 -7.889 1.00 0.00 H new ATOM 0 HA THR A 51 124.508 10.140 -9.394 1.00 0.00 H new ATOM 0 HB THR A 51 123.178 12.661 -10.478 1.00 0.00 H new ATOM 0 HG1 THR A 51 121.822 11.111 -11.565 1.00 0.00 H new ATOM 0 HG21 THR A 51 123.880 11.733 -12.665 1.00 0.00 H new ATOM 0 HG22 THR A 51 125.285 12.015 -11.610 1.00 0.00 H new ATOM 0 HG23 THR A 51 124.658 10.365 -11.836 1.00 0.00 H new ATOM 758 N ALA A 52 126.542 11.611 -9.381 1.00 0.00 N ATOM 759 CA ALA A 52 127.752 12.398 -9.170 1.00 0.00 C ATOM 760 C ALA A 52 127.742 13.633 -10.065 1.00 0.00 C ATOM 761 O ALA A 52 128.161 13.578 -11.221 1.00 0.00 O ATOM 762 CB ALA A 52 128.987 11.551 -9.479 1.00 0.00 C ATOM 0 H ALA A 52 126.694 10.705 -9.824 1.00 0.00 H new ATOM 0 HA ALA A 52 127.784 12.715 -8.128 1.00 0.00 H new ATOM 0 HB1 ALA A 52 129.886 12.146 -9.319 1.00 0.00 H new ATOM 0 HB2 ALA A 52 129.006 10.682 -8.822 1.00 0.00 H new ATOM 0 HB3 ALA A 52 128.951 11.220 -10.517 1.00 0.00 H new ATOM 768 N SER A 53 127.261 14.747 -9.522 1.00 0.00 N ATOM 769 CA SER A 53 127.180 15.985 -10.290 1.00 0.00 C ATOM 770 C SER A 53 127.497 17.191 -9.413 1.00 0.00 C ATOM 771 O SER A 53 127.196 17.203 -8.219 1.00 0.00 O ATOM 772 CB SER A 53 125.778 16.137 -10.882 1.00 0.00 C ATOM 773 OG SER A 53 125.753 17.280 -11.728 1.00 0.00 O ATOM 0 H SER A 53 126.924 14.819 -8.562 1.00 0.00 H new ATOM 0 HA SER A 53 127.915 15.938 -11.094 1.00 0.00 H new ATOM 0 HB2 SER A 53 125.509 15.245 -11.447 1.00 0.00 H new ATOM 0 HB3 SER A 53 125.042 16.243 -10.085 1.00 0.00 H new ATOM 0 HG SER A 53 124.857 17.383 -12.112 1.00 0.00 H new ATOM 779 N SER A 54 128.106 18.204 -10.019 1.00 0.00 N ATOM 780 CA SER A 54 128.432 19.437 -9.306 1.00 0.00 C ATOM 781 C SER A 54 127.184 20.114 -8.728 1.00 0.00 C ATOM 782 O SER A 54 127.270 20.822 -7.724 1.00 0.00 O ATOM 783 CB SER A 54 129.138 20.409 -10.252 1.00 0.00 C ATOM 784 OG SER A 54 129.586 21.537 -9.513 1.00 0.00 O ATOM 0 H SER A 54 128.384 18.198 -11.000 1.00 0.00 H new ATOM 0 HA SER A 54 129.087 19.171 -8.476 1.00 0.00 H new ATOM 0 HB2 SER A 54 129.982 19.917 -10.735 1.00 0.00 H new ATOM 0 HB3 SER A 54 128.458 20.724 -11.043 1.00 0.00 H new ATOM 0 HG SER A 54 130.041 22.163 -10.115 1.00 0.00 H new ATOM 790 N GLY A 55 126.029 19.900 -9.354 1.00 0.00 N ATOM 791 CA GLY A 55 124.801 20.569 -8.933 1.00 0.00 C ATOM 792 C GLY A 55 124.278 20.045 -7.594 1.00 0.00 C ATOM 793 O GLY A 55 123.573 20.766 -6.885 1.00 0.00 O ATOM 0 H GLY A 55 125.918 19.272 -10.150 1.00 0.00 H new ATOM 0 HA2 GLY A 55 124.984 21.641 -8.854 1.00 0.00 H new ATOM 0 HA3 GLY A 55 124.036 20.432 -9.697 1.00 0.00 H new ATOM 797 N ASP A 56 124.605 18.801 -7.250 1.00 0.00 N ATOM 798 CA ASP A 56 124.163 18.230 -5.981 1.00 0.00 C ATOM 799 C ASP A 56 122.635 18.230 -5.903 1.00 0.00 C ATOM 800 O ASP A 56 122.035 18.812 -4.997 1.00 0.00 O ATOM 801 CB ASP A 56 124.765 19.020 -4.812 1.00 0.00 C ATOM 802 CG ASP A 56 126.289 18.941 -4.844 1.00 0.00 C ATOM 803 OD1 ASP A 56 126.807 17.928 -5.289 1.00 0.00 O ATOM 804 OD2 ASP A 56 126.920 19.897 -4.421 1.00 0.00 O ATOM 0 H ASP A 56 125.168 18.175 -7.826 1.00 0.00 H new ATOM 0 HA ASP A 56 124.509 17.198 -5.917 1.00 0.00 H new ATOM 0 HB2 ASP A 56 124.447 20.061 -4.867 1.00 0.00 H new ATOM 0 HB3 ASP A 56 124.394 18.623 -3.867 1.00 0.00 H new ATOM 809 N TYR A 57 122.009 17.567 -6.869 1.00 0.00 N ATOM 810 CA TYR A 57 120.551 17.534 -6.949 1.00 0.00 C ATOM 811 C TYR A 57 119.927 17.060 -5.637 1.00 0.00 C ATOM 812 O TYR A 57 118.836 17.498 -5.276 1.00 0.00 O ATOM 813 CB TYR A 57 120.117 16.604 -8.084 1.00 0.00 C ATOM 814 CG TYR A 57 120.618 17.037 -9.441 1.00 0.00 C ATOM 815 CD1 TYR A 57 119.937 18.033 -10.151 1.00 0.00 C ATOM 816 CD2 TYR A 57 121.761 16.443 -9.988 1.00 0.00 C ATOM 817 CE1 TYR A 57 120.402 18.435 -11.410 1.00 0.00 C ATOM 818 CE2 TYR A 57 122.226 16.846 -11.246 1.00 0.00 C ATOM 819 CZ TYR A 57 121.545 17.842 -11.957 1.00 0.00 C ATOM 820 OH TYR A 57 122.003 18.237 -13.196 1.00 0.00 O ATOM 0 H TYR A 57 122.485 17.046 -7.606 1.00 0.00 H new ATOM 0 HA TYR A 57 120.204 18.549 -7.143 1.00 0.00 H new ATOM 0 HB2 TYR A 57 120.478 15.597 -7.876 1.00 0.00 H new ATOM 0 HB3 TYR A 57 119.028 16.554 -8.106 1.00 0.00 H new ATOM 0 HD1 TYR A 57 119.055 18.491 -9.729 1.00 0.00 H new ATOM 0 HD2 TYR A 57 122.285 15.674 -9.440 1.00 0.00 H new ATOM 0 HE1 TYR A 57 119.878 19.203 -11.959 1.00 0.00 H new ATOM 0 HE2 TYR A 57 123.109 16.389 -11.668 1.00 0.00 H new ATOM 0 HH TYR A 57 122.807 17.726 -13.426 1.00 0.00 H new ATOM 830 N ASN A 58 120.607 16.159 -4.933 1.00 0.00 N ATOM 831 CA ASN A 58 120.104 15.666 -3.655 1.00 0.00 C ATOM 832 C ASN A 58 119.974 16.811 -2.652 1.00 0.00 C ATOM 833 O ASN A 58 120.849 17.672 -2.566 1.00 0.00 O ATOM 834 CB ASN A 58 121.045 14.588 -3.105 1.00 0.00 C ATOM 835 CG ASN A 58 122.427 15.170 -2.815 1.00 0.00 C ATOM 836 OD1 ASN A 58 122.778 16.234 -3.327 1.00 0.00 O ATOM 837 ND2 ASN A 58 123.239 14.531 -2.019 1.00 0.00 N ATOM 0 H ASN A 58 121.499 15.759 -5.223 1.00 0.00 H new ATOM 0 HA ASN A 58 119.117 15.232 -3.813 1.00 0.00 H new ATOM 0 HB2 ASN A 58 120.625 14.164 -2.193 1.00 0.00 H new ATOM 0 HB3 ASN A 58 121.132 13.774 -3.824 1.00 0.00 H new ATOM 0 HD21 ASN A 58 124.164 14.912 -1.821 1.00 0.00 H new ATOM 0 HD22 ASN A 58 122.949 13.650 -1.595 1.00 0.00 H new ATOM 844 N LYS A 59 118.879 16.816 -1.896 1.00 0.00 N ATOM 845 CA LYS A 59 118.637 17.875 -0.920 1.00 0.00 C ATOM 846 C LYS A 59 118.082 17.310 0.384 1.00 0.00 C ATOM 847 O LYS A 59 118.754 17.337 1.416 1.00 0.00 O ATOM 848 CB LYS A 59 117.651 18.897 -1.490 1.00 0.00 C ATOM 849 CG LYS A 59 118.281 19.605 -2.691 1.00 0.00 C ATOM 850 CD LYS A 59 117.335 20.698 -3.194 1.00 0.00 C ATOM 851 CE LYS A 59 117.908 21.327 -4.465 1.00 0.00 C ATOM 852 NZ LYS A 59 117.088 22.511 -4.847 1.00 0.00 N ATOM 0 H LYS A 59 118.150 16.104 -1.940 1.00 0.00 H new ATOM 0 HA LYS A 59 119.591 18.359 -0.709 1.00 0.00 H new ATOM 0 HB2 LYS A 59 116.729 18.399 -1.791 1.00 0.00 H new ATOM 0 HB3 LYS A 59 117.384 19.626 -0.725 1.00 0.00 H new ATOM 0 HG2 LYS A 59 119.239 20.041 -2.408 1.00 0.00 H new ATOM 0 HG3 LYS A 59 118.480 18.887 -3.487 1.00 0.00 H new ATOM 0 HD2 LYS A 59 116.351 20.276 -3.397 1.00 0.00 H new ATOM 0 HD3 LYS A 59 117.203 21.460 -2.426 1.00 0.00 H new ATOM 0 HE2 LYS A 59 118.943 21.626 -4.301 1.00 0.00 H new ATOM 0 HE3 LYS A 59 117.912 20.597 -5.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 117.477 22.939 -5.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 116.107 22.213 -5.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 117.106 23.209 -4.076 1.00 0.00 H new ATOM 866 N ASN A 60 116.856 16.800 0.334 1.00 0.00 N ATOM 867 CA ASN A 60 116.194 16.310 1.538 1.00 0.00 C ATOM 868 C ASN A 60 116.321 14.795 1.659 1.00 0.00 C ATOM 869 O ASN A 60 116.255 14.073 0.664 1.00 0.00 O ATOM 870 CB ASN A 60 114.714 16.693 1.510 1.00 0.00 C ATOM 871 CG ASN A 60 114.567 18.211 1.509 1.00 0.00 C ATOM 872 OD1 ASN A 60 113.853 18.767 0.673 1.00 0.00 O ATOM 873 ND2 ASN A 60 115.204 18.919 2.401 1.00 0.00 N ATOM 0 H ASN A 60 116.304 16.715 -0.520 1.00 0.00 H new ATOM 0 HA ASN A 60 116.680 16.769 2.399 1.00 0.00 H new ATOM 0 HB2 ASN A 60 114.238 16.273 0.624 1.00 0.00 H new ATOM 0 HB3 ASN A 60 114.204 16.271 2.376 1.00 0.00 H new ATOM 0 HD21 ASN A 60 115.111 19.935 2.407 1.00 0.00 H new ATOM 0 HD22 ASN A 60 115.795 18.457 3.092 1.00 0.00 H new ATOM 880 N GLN A 61 116.506 14.323 2.889 1.00 0.00 N ATOM 881 CA GLN A 61 116.611 12.890 3.153 1.00 0.00 C ATOM 882 C GLN A 61 115.598 12.490 4.219 1.00 0.00 C ATOM 883 O GLN A 61 115.267 13.292 5.091 1.00 0.00 O ATOM 884 CB GLN A 61 118.023 12.548 3.633 1.00 0.00 C ATOM 885 CG GLN A 61 119.027 12.846 2.516 1.00 0.00 C ATOM 886 CD GLN A 61 120.454 12.594 2.997 1.00 0.00 C ATOM 887 OE1 GLN A 61 120.713 12.532 4.200 1.00 0.00 O ATOM 888 NE2 GLN A 61 121.409 12.445 2.118 1.00 0.00 N ATOM 0 H GLN A 61 116.586 14.911 3.718 1.00 0.00 H new ATOM 0 HA GLN A 61 116.405 12.343 2.233 1.00 0.00 H new ATOM 0 HB2 GLN A 61 118.268 13.130 4.522 1.00 0.00 H new ATOM 0 HB3 GLN A 61 118.078 11.497 3.915 1.00 0.00 H new ATOM 0 HG2 GLN A 61 118.813 12.219 1.650 1.00 0.00 H new ATOM 0 HG3 GLN A 61 118.924 13.882 2.193 1.00 0.00 H new ATOM 0 HE21 GLN A 61 121.197 12.496 1.121 1.00 0.00 H new ATOM 0 HE22 GLN A 61 122.366 12.278 2.428 1.00 0.00 H new ATOM 897 N TYR A 62 115.104 11.255 4.142 1.00 0.00 N ATOM 898 CA TYR A 62 114.115 10.771 5.103 1.00 0.00 C ATOM 899 C TYR A 62 114.586 9.480 5.764 1.00 0.00 C ATOM 900 O TYR A 62 115.169 8.612 5.114 1.00 0.00 O ATOM 901 CB TYR A 62 112.778 10.525 4.402 1.00 0.00 C ATOM 902 CG TYR A 62 112.219 11.754 3.725 1.00 0.00 C ATOM 903 CD1 TYR A 62 112.548 12.031 2.393 1.00 0.00 C ATOM 904 CD2 TYR A 62 111.372 12.618 4.429 1.00 0.00 C ATOM 905 CE1 TYR A 62 112.030 13.170 1.764 1.00 0.00 C ATOM 906 CE2 TYR A 62 110.854 13.756 3.803 1.00 0.00 C ATOM 907 CZ TYR A 62 111.183 14.032 2.470 1.00 0.00 C ATOM 908 OH TYR A 62 110.672 15.155 1.851 1.00 0.00 O ATOM 0 H TYR A 62 115.370 10.576 3.429 1.00 0.00 H new ATOM 0 HA TYR A 62 113.989 11.533 5.872 1.00 0.00 H new ATOM 0 HB2 TYR A 62 112.905 9.737 3.660 1.00 0.00 H new ATOM 0 HB3 TYR A 62 112.055 10.161 5.132 1.00 0.00 H new ATOM 0 HD1 TYR A 62 113.202 11.365 1.850 1.00 0.00 H new ATOM 0 HD2 TYR A 62 111.118 12.405 5.457 1.00 0.00 H new ATOM 0 HE1 TYR A 62 112.284 13.383 0.736 1.00 0.00 H new ATOM 0 HE2 TYR A 62 110.201 14.422 4.347 1.00 0.00 H new ATOM 0 HH TYR A 62 110.102 15.644 2.480 1.00 0.00 H new ATOM 918 N TYR A 63 114.330 9.369 7.063 1.00 0.00 N ATOM 919 CA TYR A 63 114.688 8.171 7.814 1.00 0.00 C ATOM 920 C TYR A 63 113.503 7.727 8.663 1.00 0.00 C ATOM 921 O TYR A 63 112.883 8.546 9.339 1.00 0.00 O ATOM 922 CB TYR A 63 115.889 8.462 8.716 1.00 0.00 C ATOM 923 CG TYR A 63 116.313 7.281 9.555 1.00 0.00 C ATOM 924 CD1 TYR A 63 117.113 6.277 8.999 1.00 0.00 C ATOM 925 CD2 TYR A 63 115.907 7.194 10.890 1.00 0.00 C ATOM 926 CE1 TYR A 63 117.507 5.185 9.781 1.00 0.00 C ATOM 927 CE2 TYR A 63 116.300 6.102 11.672 1.00 0.00 C ATOM 928 CZ TYR A 63 117.102 5.097 11.118 1.00 0.00 C ATOM 929 OH TYR A 63 117.490 4.020 11.890 1.00 0.00 O ATOM 0 H TYR A 63 113.876 10.094 7.618 1.00 0.00 H new ATOM 0 HA TYR A 63 114.951 7.376 7.116 1.00 0.00 H new ATOM 0 HB2 TYR A 63 116.729 8.779 8.098 1.00 0.00 H new ATOM 0 HB3 TYR A 63 115.645 9.296 9.374 1.00 0.00 H new ATOM 0 HD1 TYR A 63 117.426 6.344 7.968 1.00 0.00 H new ATOM 0 HD2 TYR A 63 115.290 7.970 11.318 1.00 0.00 H new ATOM 0 HE1 TYR A 63 118.124 4.409 9.352 1.00 0.00 H new ATOM 0 HE2 TYR A 63 115.985 6.035 12.703 1.00 0.00 H new ATOM 0 HH TYR A 63 117.868 4.342 12.735 1.00 0.00 H new ATOM 939 N GLY A 64 113.171 6.439 8.604 1.00 0.00 N ATOM 940 CA GLY A 64 112.029 5.926 9.361 1.00 0.00 C ATOM 941 C GLY A 64 112.331 4.581 10.011 1.00 0.00 C ATOM 942 O GLY A 64 113.070 3.770 9.456 1.00 0.00 O ATOM 0 H GLY A 64 113.667 5.741 8.050 1.00 0.00 H new ATOM 0 HA2 GLY A 64 111.752 6.646 10.131 1.00 0.00 H new ATOM 0 HA3 GLY A 64 111.171 5.823 8.697 1.00 0.00 H new ATOM 946 N ILE A 65 111.747 4.355 11.189 1.00 0.00 N ATOM 947 CA ILE A 65 111.866 3.068 11.872 1.00 0.00 C ATOM 948 C ILE A 65 110.473 2.534 12.201 1.00 0.00 C ATOM 949 O ILE A 65 109.660 3.247 12.785 1.00 0.00 O ATOM 950 CB ILE A 65 112.681 3.223 13.164 1.00 0.00 C ATOM 951 CG1 ILE A 65 114.055 3.815 12.838 1.00 0.00 C ATOM 952 CG2 ILE A 65 112.871 1.852 13.822 1.00 0.00 C ATOM 953 CD1 ILE A 65 114.802 4.129 14.137 1.00 0.00 C ATOM 0 H ILE A 65 111.188 5.046 11.689 1.00 0.00 H new ATOM 0 HA ILE A 65 112.380 2.365 11.216 1.00 0.00 H new ATOM 0 HB ILE A 65 112.147 3.886 13.845 1.00 0.00 H new ATOM 0 HG12 ILE A 65 114.631 3.112 12.236 1.00 0.00 H new ATOM 0 HG13 ILE A 65 113.940 4.722 12.245 1.00 0.00 H new ATOM 0 HG21 ILE A 65 113.450 1.965 14.739 1.00 0.00 H new ATOM 0 HG22 ILE A 65 111.897 1.424 14.059 1.00 0.00 H new ATOM 0 HG23 ILE A 65 113.402 1.190 13.137 1.00 0.00 H new ATOM 0 HD11 ILE A 65 115.779 4.550 13.902 1.00 0.00 H new ATOM 0 HD12 ILE A 65 114.228 4.848 14.722 1.00 0.00 H new ATOM 0 HD13 ILE A 65 114.931 3.213 14.713 1.00 0.00 H new ATOM 965 N THR A 66 110.201 1.290 11.808 1.00 0.00 N ATOM 966 CA THR A 66 108.890 0.685 12.045 1.00 0.00 C ATOM 967 C THR A 66 109.027 -0.613 12.838 1.00 0.00 C ATOM 968 O THR A 66 110.062 -1.277 12.776 1.00 0.00 O ATOM 969 CB THR A 66 108.189 0.380 10.717 1.00 0.00 C ATOM 970 OG1 THR A 66 108.954 -0.569 9.992 1.00 0.00 O ATOM 971 CG2 THR A 66 108.026 1.654 9.883 1.00 0.00 C ATOM 0 H THR A 66 110.866 0.684 11.327 1.00 0.00 H new ATOM 0 HA THR A 66 108.297 1.399 12.617 1.00 0.00 H new ATOM 0 HB THR A 66 107.198 -0.023 10.927 1.00 0.00 H new ATOM 0 HG1 THR A 66 109.589 -0.101 9.410 1.00 0.00 H new ATOM 0 HG21 THR A 66 107.526 1.413 8.945 1.00 0.00 H new ATOM 0 HG22 THR A 66 107.428 2.378 10.437 1.00 0.00 H new ATOM 0 HG23 THR A 66 109.007 2.079 9.672 1.00 0.00 H new ATOM 979 N ALA A 67 107.965 -0.978 13.548 1.00 0.00 N ATOM 980 CA ALA A 67 107.908 -2.255 14.252 1.00 0.00 C ATOM 981 C ALA A 67 106.487 -2.798 14.159 1.00 0.00 C ATOM 982 O ALA A 67 105.542 -2.010 14.072 1.00 0.00 O ATOM 983 CB ALA A 67 108.298 -2.069 15.719 1.00 0.00 C ATOM 0 H ALA A 67 107.128 -0.405 13.652 1.00 0.00 H new ATOM 0 HA ALA A 67 108.607 -2.956 13.797 1.00 0.00 H new ATOM 0 HB1 ALA A 67 108.251 -3.029 16.232 1.00 0.00 H new ATOM 0 HB2 ALA A 67 109.312 -1.675 15.779 1.00 0.00 H new ATOM 0 HB3 ALA A 67 107.609 -1.370 16.193 1.00 0.00 H new ATOM 989 N GLY A 68 106.329 -4.124 14.140 1.00 0.00 N ATOM 990 CA GLY A 68 105.002 -4.694 13.945 1.00 0.00 C ATOM 991 C GLY A 68 104.888 -6.143 14.425 1.00 0.00 C ATOM 992 O GLY A 68 105.903 -6.817 14.596 1.00 0.00 O ATOM 0 H GLY A 68 107.082 -4.803 14.254 1.00 0.00 H new ATOM 0 HA2 GLY A 68 104.271 -4.084 14.476 1.00 0.00 H new ATOM 0 HA3 GLY A 68 104.747 -4.648 12.886 1.00 0.00 H new ATOM 996 N PRO A 69 103.684 -6.627 14.656 1.00 0.00 N ATOM 997 CA PRO A 69 103.455 -8.067 14.938 1.00 0.00 C ATOM 998 C PRO A 69 103.101 -8.851 13.673 1.00 0.00 C ATOM 999 O PRO A 69 102.240 -8.440 12.886 1.00 0.00 O ATOM 1000 CB PRO A 69 102.282 -8.046 15.916 1.00 0.00 C ATOM 1001 CG PRO A 69 101.499 -6.818 15.582 1.00 0.00 C ATOM 1002 CD PRO A 69 102.401 -5.899 14.751 1.00 0.00 C ATOM 0 HA PRO A 69 104.342 -8.561 15.333 1.00 0.00 H new ATOM 0 HB2 PRO A 69 101.669 -8.941 15.812 1.00 0.00 H new ATOM 0 HB3 PRO A 69 102.633 -8.018 16.948 1.00 0.00 H new ATOM 0 HG2 PRO A 69 100.600 -7.078 15.023 1.00 0.00 H new ATOM 0 HG3 PRO A 69 101.174 -6.313 16.492 1.00 0.00 H new ATOM 0 HD2 PRO A 69 101.977 -5.712 13.765 1.00 0.00 H new ATOM 0 HD3 PRO A 69 102.530 -4.929 15.231 1.00 0.00 H new ATOM 1010 N ALA A 70 103.892 -9.889 13.419 1.00 0.00 N ATOM 1011 CA ALA A 70 103.607 -10.860 12.369 1.00 0.00 C ATOM 1012 C ALA A 70 102.582 -11.890 12.833 1.00 0.00 C ATOM 1013 O ALA A 70 102.681 -12.391 13.956 1.00 0.00 O ATOM 1014 CB ALA A 70 104.899 -11.586 11.987 1.00 0.00 C ATOM 0 H ALA A 70 104.750 -10.080 13.936 1.00 0.00 H new ATOM 0 HA ALA A 70 103.200 -10.324 11.511 1.00 0.00 H new ATOM 0 HB1 ALA A 70 104.690 -12.313 11.202 1.00 0.00 H new ATOM 0 HB2 ALA A 70 105.630 -10.862 11.626 1.00 0.00 H new ATOM 0 HB3 ALA A 70 105.299 -12.101 12.861 1.00 0.00 H new ATOM 1020 N TYR A 71 101.645 -12.244 11.954 1.00 0.00 N ATOM 1021 CA TYR A 71 100.742 -13.362 12.210 1.00 0.00 C ATOM 1022 C TYR A 71 100.994 -14.435 11.157 1.00 0.00 C ATOM 1023 O TYR A 71 100.990 -14.141 9.962 1.00 0.00 O ATOM 1024 CB TYR A 71 99.285 -12.900 12.146 1.00 0.00 C ATOM 1025 CG TYR A 71 98.948 -11.829 13.157 1.00 0.00 C ATOM 1026 CD1 TYR A 71 98.666 -12.180 14.481 1.00 0.00 C ATOM 1027 CD2 TYR A 71 98.915 -10.484 12.766 1.00 0.00 C ATOM 1028 CE1 TYR A 71 98.353 -11.188 15.417 1.00 0.00 C ATOM 1029 CE2 TYR A 71 98.602 -9.491 13.702 1.00 0.00 C ATOM 1030 CZ TYR A 71 98.320 -9.842 15.027 1.00 0.00 C ATOM 1031 OH TYR A 71 98.011 -8.864 15.950 1.00 0.00 O ATOM 0 H TYR A 71 101.493 -11.774 11.062 1.00 0.00 H new ATOM 0 HA TYR A 71 100.927 -13.762 13.207 1.00 0.00 H new ATOM 0 HB2 TYR A 71 99.075 -12.523 11.145 1.00 0.00 H new ATOM 0 HB3 TYR A 71 98.632 -13.758 12.306 1.00 0.00 H new ATOM 0 HD1 TYR A 71 98.690 -13.217 14.781 1.00 0.00 H new ATOM 0 HD2 TYR A 71 99.131 -10.213 11.743 1.00 0.00 H new ATOM 0 HE1 TYR A 71 98.137 -11.459 16.440 1.00 0.00 H new ATOM 0 HE2 TYR A 71 98.578 -8.454 13.401 1.00 0.00 H new ATOM 0 HH TYR A 71 98.033 -7.986 15.516 1.00 0.00 H new ATOM 1041 N ARG A 72 101.185 -15.672 11.602 1.00 0.00 N ATOM 1042 CA ARG A 72 101.650 -16.725 10.704 1.00 0.00 C ATOM 1043 C ARG A 72 100.497 -17.552 10.145 1.00 0.00 C ATOM 1044 O ARG A 72 99.847 -18.311 10.865 1.00 0.00 O ATOM 1045 CB ARG A 72 102.619 -17.647 11.445 1.00 0.00 C ATOM 1046 CG ARG A 72 103.855 -16.851 11.873 1.00 0.00 C ATOM 1047 CD ARG A 72 104.844 -17.783 12.574 1.00 0.00 C ATOM 1048 NE ARG A 72 105.424 -18.724 11.612 1.00 0.00 N ATOM 1049 CZ ARG A 72 106.084 -19.835 11.970 1.00 0.00 C ATOM 1050 NH1 ARG A 72 106.262 -20.170 13.227 1.00 0.00 N ATOM 1051 NH2 ARG A 72 106.568 -20.611 11.037 1.00 0.00 N ATOM 0 H ARG A 72 101.028 -15.969 12.565 1.00 0.00 H new ATOM 0 HA ARG A 72 102.153 -16.241 9.867 1.00 0.00 H new ATOM 0 HB2 ARG A 72 102.131 -18.079 12.319 1.00 0.00 H new ATOM 0 HB3 ARG A 72 102.912 -18.476 10.802 1.00 0.00 H new ATOM 0 HG2 ARG A 72 104.325 -16.393 11.003 1.00 0.00 H new ATOM 0 HG3 ARG A 72 103.565 -16.041 12.542 1.00 0.00 H new ATOM 0 HD2 ARG A 72 105.635 -17.198 13.044 1.00 0.00 H new ATOM 0 HD3 ARG A 72 104.338 -18.331 13.369 1.00 0.00 H new ATOM 0 HE ARG A 72 105.320 -18.523 10.617 1.00 0.00 H new ATOM 0 HH11 ARG A 72 105.893 -19.577 13.970 1.00 0.00 H new ATOM 0 HH12 ARG A 72 106.770 -21.023 13.460 1.00 0.00 H new ATOM 0 HH21 ARG A 72 106.441 -20.368 10.055 1.00 0.00 H new ATOM 0 HH22 ARG A 72 107.073 -21.460 11.291 1.00 0.00 H new ATOM 1065 N ILE A 73 100.259 -17.389 8.849 1.00 0.00 N ATOM 1066 CA ILE A 73 99.301 -18.217 8.128 1.00 0.00 C ATOM 1067 C ILE A 73 100.036 -19.362 7.438 1.00 0.00 C ATOM 1068 O ILE A 73 101.041 -19.137 6.765 1.00 0.00 O ATOM 1069 CB ILE A 73 98.543 -17.384 7.085 1.00 0.00 C ATOM 1070 CG1 ILE A 73 97.902 -16.148 7.736 1.00 0.00 C ATOM 1071 CG2 ILE A 73 97.458 -18.245 6.439 1.00 0.00 C ATOM 1072 CD1 ILE A 73 96.929 -16.546 8.853 1.00 0.00 C ATOM 0 H ILE A 73 100.720 -16.685 8.273 1.00 0.00 H new ATOM 0 HA ILE A 73 98.580 -18.620 8.839 1.00 0.00 H new ATOM 0 HB ILE A 73 99.249 -17.047 6.326 1.00 0.00 H new ATOM 0 HG12 ILE A 73 98.681 -15.503 8.143 1.00 0.00 H new ATOM 0 HG13 ILE A 73 97.373 -15.569 6.979 1.00 0.00 H new ATOM 0 HG21 ILE A 73 96.919 -17.655 5.698 1.00 0.00 H new ATOM 0 HG22 ILE A 73 97.918 -19.106 5.953 1.00 0.00 H new ATOM 0 HG23 ILE A 73 96.763 -18.589 7.205 1.00 0.00 H new ATOM 0 HD11 ILE A 73 96.493 -15.649 9.293 1.00 0.00 H new ATOM 0 HD12 ILE A 73 96.136 -17.170 8.440 1.00 0.00 H new ATOM 0 HD13 ILE A 73 97.465 -17.103 9.621 1.00 0.00 H new ATOM 1084 N ASN A 74 99.538 -20.582 7.606 1.00 0.00 N ATOM 1085 CA ASN A 74 100.225 -21.750 7.059 1.00 0.00 C ATOM 1086 C ASN A 74 100.325 -21.667 5.536 1.00 0.00 C ATOM 1087 O ASN A 74 101.313 -22.112 4.952 1.00 0.00 O ATOM 1088 CB ASN A 74 99.476 -23.025 7.452 1.00 0.00 C ATOM 1089 CG ASN A 74 99.456 -23.171 8.970 1.00 0.00 C ATOM 1090 OD1 ASN A 74 98.409 -23.451 9.554 1.00 0.00 O ATOM 1091 ND2 ASN A 74 100.558 -23.000 9.648 1.00 0.00 N ATOM 0 H ASN A 74 98.675 -20.789 8.108 1.00 0.00 H new ATOM 0 HA ASN A 74 101.234 -21.773 7.471 1.00 0.00 H new ATOM 0 HB2 ASN A 74 98.456 -22.991 7.068 1.00 0.00 H new ATOM 0 HB3 ASN A 74 99.957 -23.893 7.001 1.00 0.00 H new ATOM 0 HD21 ASN A 74 100.553 -23.098 10.663 1.00 0.00 H new ATOM 0 HD22 ASN A 74 101.425 -22.768 9.163 1.00 0.00 H new ATOM 1098 N ASP A 75 99.306 -21.102 4.895 1.00 0.00 N ATOM 1099 CA ASP A 75 99.363 -20.856 3.458 1.00 0.00 C ATOM 1100 C ASP A 75 100.255 -19.650 3.178 1.00 0.00 C ATOM 1101 O ASP A 75 100.918 -19.140 4.081 1.00 0.00 O ATOM 1102 CB ASP A 75 97.954 -20.600 2.914 1.00 0.00 C ATOM 1103 CG ASP A 75 97.078 -21.838 3.093 1.00 0.00 C ATOM 1104 OD1 ASP A 75 97.610 -22.936 3.058 1.00 0.00 O ATOM 1105 OD2 ASP A 75 95.881 -21.669 3.263 1.00 0.00 O ATOM 0 H ASP A 75 98.438 -20.808 5.343 1.00 0.00 H new ATOM 0 HA ASP A 75 99.779 -21.733 2.962 1.00 0.00 H new ATOM 0 HB2 ASP A 75 97.506 -19.752 3.433 1.00 0.00 H new ATOM 0 HB3 ASP A 75 98.008 -20.335 1.858 1.00 0.00 H new ATOM 1110 N TRP A 76 100.285 -19.205 1.925 1.00 0.00 N ATOM 1111 CA TRP A 76 101.057 -18.021 1.561 1.00 0.00 C ATOM 1112 C TRP A 76 100.225 -16.758 1.789 1.00 0.00 C ATOM 1113 O TRP A 76 100.149 -15.875 0.933 1.00 0.00 O ATOM 1114 CB TRP A 76 101.497 -18.118 0.099 1.00 0.00 C ATOM 1115 CG TRP A 76 100.362 -18.082 -0.877 1.00 0.00 C ATOM 1116 CD1 TRP A 76 99.541 -19.122 -1.155 1.00 0.00 C ATOM 1117 CD2 TRP A 76 99.915 -16.973 -1.712 1.00 0.00 C ATOM 1118 NE1 TRP A 76 98.617 -18.722 -2.101 1.00 0.00 N ATOM 1119 CE2 TRP A 76 98.803 -17.407 -2.477 1.00 0.00 C ATOM 1120 CE3 TRP A 76 100.355 -15.649 -1.877 1.00 0.00 C ATOM 1121 CZ2 TRP A 76 98.157 -16.554 -3.375 1.00 0.00 C ATOM 1122 CZ3 TRP A 76 99.709 -14.790 -2.778 1.00 0.00 C ATOM 1123 CH2 TRP A 76 98.611 -15.240 -3.524 1.00 0.00 C ATOM 0 H TRP A 76 99.788 -19.643 1.150 1.00 0.00 H new ATOM 0 HA TRP A 76 101.945 -17.966 2.191 1.00 0.00 H new ATOM 0 HB2 TRP A 76 102.179 -17.297 -0.121 1.00 0.00 H new ATOM 0 HB3 TRP A 76 102.056 -19.043 -0.042 1.00 0.00 H new ATOM 0 HD1 TRP A 76 99.599 -20.104 -0.710 1.00 0.00 H new ATOM 0 HE1 TRP A 76 97.886 -19.326 -2.476 1.00 0.00 H new ATOM 0 HE3 TRP A 76 101.198 -15.290 -1.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 97.313 -16.907 -3.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 100.060 -13.776 -2.898 1.00 0.00 H new ATOM 0 HH2 TRP A 76 98.116 -14.572 -4.213 1.00 0.00 H new ATOM 1134 N ALA A 77 99.609 -16.680 2.965 1.00 0.00 N ATOM 1135 CA ALA A 77 98.696 -15.587 3.295 1.00 0.00 C ATOM 1136 C ALA A 77 99.136 -14.823 4.546 1.00 0.00 C ATOM 1137 O ALA A 77 98.305 -14.174 5.185 1.00 0.00 O ATOM 1138 CB ALA A 77 97.288 -16.146 3.518 1.00 0.00 C ATOM 0 H ALA A 77 99.726 -17.366 3.711 1.00 0.00 H new ATOM 0 HA ALA A 77 98.705 -14.890 2.457 1.00 0.00 H new ATOM 0 HB1 ALA A 77 96.608 -15.331 3.764 1.00 0.00 H new ATOM 0 HB2 ALA A 77 96.946 -16.643 2.610 1.00 0.00 H new ATOM 0 HB3 ALA A 77 97.307 -16.863 4.339 1.00 0.00 H new ATOM 1144 N SER A 78 100.422 -14.881 4.899 1.00 0.00 N ATOM 1145 CA SER A 78 100.862 -14.354 6.187 1.00 0.00 C ATOM 1146 C SER A 78 100.728 -12.841 6.171 1.00 0.00 C ATOM 1147 O SER A 78 100.894 -12.220 5.123 1.00 0.00 O ATOM 1148 CB SER A 78 102.315 -14.746 6.456 1.00 0.00 C ATOM 1149 OG SER A 78 102.608 -14.533 7.830 1.00 0.00 O ATOM 0 H SER A 78 101.162 -15.280 4.322 1.00 0.00 H new ATOM 0 HA SER A 78 100.242 -14.773 6.980 1.00 0.00 H new ATOM 0 HB2 SER A 78 102.477 -15.792 6.195 1.00 0.00 H new ATOM 0 HB3 SER A 78 102.986 -14.155 5.833 1.00 0.00 H new ATOM 0 HG SER A 78 101.772 -14.426 8.330 1.00 0.00 H new ATOM 1155 N ILE A 79 100.430 -12.241 7.323 1.00 0.00 N ATOM 1156 CA ILE A 79 100.120 -10.814 7.359 1.00 0.00 C ATOM 1157 C ILE A 79 100.988 -10.107 8.391 1.00 0.00 C ATOM 1158 O ILE A 79 101.099 -10.545 9.534 1.00 0.00 O ATOM 1159 CB ILE A 79 98.631 -10.613 7.670 1.00 0.00 C ATOM 1160 CG1 ILE A 79 98.284 -9.121 7.639 1.00 0.00 C ATOM 1161 CG2 ILE A 79 98.295 -11.183 9.050 1.00 0.00 C ATOM 1162 CD1 ILE A 79 98.392 -8.600 6.205 1.00 0.00 C ATOM 0 H ILE A 79 100.397 -12.711 8.228 1.00 0.00 H new ATOM 0 HA ILE A 79 100.335 -10.379 6.383 1.00 0.00 H new ATOM 0 HB ILE A 79 98.047 -11.137 6.914 1.00 0.00 H new ATOM 0 HG12 ILE A 79 97.274 -8.964 8.019 1.00 0.00 H new ATOM 0 HG13 ILE A 79 98.960 -8.566 8.290 1.00 0.00 H new ATOM 0 HG21 ILE A 79 97.235 -11.033 9.257 1.00 0.00 H new ATOM 0 HG22 ILE A 79 98.521 -12.249 9.068 1.00 0.00 H new ATOM 0 HG23 ILE A 79 98.889 -10.673 9.809 1.00 0.00 H new ATOM 0 HD11 ILE A 79 98.145 -7.539 6.184 1.00 0.00 H new ATOM 0 HD12 ILE A 79 99.410 -8.743 5.842 1.00 0.00 H new ATOM 0 HD13 ILE A 79 97.698 -9.147 5.566 1.00 0.00 H new ATOM 1174 N TYR A 80 101.613 -9.019 7.962 1.00 0.00 N ATOM 1175 CA TYR A 80 102.394 -8.185 8.865 1.00 0.00 C ATOM 1176 C TYR A 80 101.805 -6.783 8.872 1.00 0.00 C ATOM 1177 O TYR A 80 101.503 -6.243 7.810 1.00 0.00 O ATOM 1178 CB TYR A 80 103.842 -8.109 8.378 1.00 0.00 C ATOM 1179 CG TYR A 80 104.540 -9.446 8.329 1.00 0.00 C ATOM 1180 CD1 TYR A 80 104.181 -10.392 7.363 1.00 0.00 C ATOM 1181 CD2 TYR A 80 105.553 -9.734 9.250 1.00 0.00 C ATOM 1182 CE1 TYR A 80 104.836 -11.630 7.318 1.00 0.00 C ATOM 1183 CE2 TYR A 80 106.205 -10.970 9.206 1.00 0.00 C ATOM 1184 CZ TYR A 80 105.847 -11.919 8.242 1.00 0.00 C ATOM 1185 OH TYR A 80 106.491 -13.139 8.206 1.00 0.00 O ATOM 0 H TYR A 80 101.594 -8.694 6.995 1.00 0.00 H new ATOM 0 HA TYR A 80 102.369 -8.613 9.867 1.00 0.00 H new ATOM 0 HB2 TYR A 80 103.858 -7.665 7.383 1.00 0.00 H new ATOM 0 HB3 TYR A 80 104.401 -7.442 9.034 1.00 0.00 H new ATOM 0 HD1 TYR A 80 103.399 -10.168 6.652 1.00 0.00 H new ATOM 0 HD2 TYR A 80 105.831 -9.002 9.994 1.00 0.00 H new ATOM 0 HE1 TYR A 80 104.561 -12.360 6.571 1.00 0.00 H new ATOM 0 HE2 TYR A 80 106.986 -11.193 9.917 1.00 0.00 H new ATOM 0 HH TYR A 80 106.233 -13.621 7.393 1.00 0.00 H new ATOM 1195 N GLY A 81 101.633 -6.202 10.057 1.00 0.00 N ATOM 1196 CA GLY A 81 101.213 -4.800 10.142 1.00 0.00 C ATOM 1197 C GLY A 81 102.235 -4.014 10.949 1.00 0.00 C ATOM 1198 O GLY A 81 102.686 -4.479 11.990 1.00 0.00 O ATOM 0 H GLY A 81 101.773 -6.665 10.955 1.00 0.00 H new ATOM 0 HA2 GLY A 81 101.119 -4.376 9.142 1.00 0.00 H new ATOM 0 HA3 GLY A 81 100.232 -4.731 10.611 1.00 0.00 H new ATOM 1202 N VAL A 82 102.577 -2.809 10.493 1.00 0.00 N ATOM 1203 CA VAL A 82 103.662 -2.056 11.120 1.00 0.00 C ATOM 1204 C VAL A 82 103.311 -0.583 11.278 1.00 0.00 C ATOM 1205 O VAL A 82 102.560 -0.024 10.478 1.00 0.00 O ATOM 1206 CB VAL A 82 104.937 -2.179 10.276 1.00 0.00 C ATOM 1207 CG1 VAL A 82 105.376 -3.642 10.206 1.00 0.00 C ATOM 1208 CG2 VAL A 82 104.669 -1.667 8.858 1.00 0.00 C ATOM 0 H VAL A 82 102.128 -2.340 9.706 1.00 0.00 H new ATOM 0 HA VAL A 82 103.822 -2.478 12.112 1.00 0.00 H new ATOM 0 HB VAL A 82 105.725 -1.585 10.738 1.00 0.00 H new ATOM 0 HG11 VAL A 82 106.282 -3.722 9.605 1.00 0.00 H new ATOM 0 HG12 VAL A 82 105.574 -4.011 11.212 1.00 0.00 H new ATOM 0 HG13 VAL A 82 104.585 -4.238 9.751 1.00 0.00 H new ATOM 0 HG21 VAL A 82 105.577 -1.756 8.261 1.00 0.00 H new ATOM 0 HG22 VAL A 82 103.875 -2.259 8.401 1.00 0.00 H new ATOM 0 HG23 VAL A 82 104.364 -0.622 8.900 1.00 0.00 H new ATOM 1218 N VAL A 83 103.888 0.034 12.302 1.00 0.00 N ATOM 1219 CA VAL A 83 103.787 1.475 12.490 1.00 0.00 C ATOM 1220 C VAL A 83 105.170 2.012 12.845 1.00 0.00 C ATOM 1221 O VAL A 83 105.916 1.348 13.564 1.00 0.00 O ATOM 1222 CB VAL A 83 102.772 1.795 13.596 1.00 0.00 C ATOM 1223 CG1 VAL A 83 103.218 1.170 14.920 1.00 0.00 C ATOM 1224 CG2 VAL A 83 102.655 3.311 13.763 1.00 0.00 C ATOM 0 H VAL A 83 104.434 -0.445 13.018 1.00 0.00 H new ATOM 0 HA VAL A 83 103.437 1.951 11.574 1.00 0.00 H new ATOM 0 HB VAL A 83 101.803 1.381 13.316 1.00 0.00 H new ATOM 0 HG11 VAL A 83 102.490 1.404 15.696 1.00 0.00 H new ATOM 0 HG12 VAL A 83 103.291 0.089 14.805 1.00 0.00 H new ATOM 0 HG13 VAL A 83 104.191 1.572 15.202 1.00 0.00 H new ATOM 0 HG21 VAL A 83 101.934 3.536 14.549 1.00 0.00 H new ATOM 0 HG22 VAL A 83 103.627 3.723 14.034 1.00 0.00 H new ATOM 0 HG23 VAL A 83 102.321 3.756 12.826 1.00 0.00 H new ATOM 1234 N GLY A 84 105.524 3.179 12.314 1.00 0.00 N ATOM 1235 CA GLY A 84 106.854 3.724 12.550 1.00 0.00 C ATOM 1236 C GLY A 84 106.832 5.242 12.598 1.00 0.00 C ATOM 1237 O GLY A 84 105.817 5.874 12.313 1.00 0.00 O ATOM 0 H GLY A 84 104.920 3.755 11.728 1.00 0.00 H new ATOM 0 HA2 GLY A 84 107.247 3.335 13.489 1.00 0.00 H new ATOM 0 HA3 GLY A 84 107.529 3.393 11.761 1.00 0.00 H new ATOM 1241 N VAL A 85 107.986 5.817 12.912 1.00 0.00 N ATOM 1242 CA VAL A 85 108.133 7.266 12.924 1.00 0.00 C ATOM 1243 C VAL A 85 109.134 7.653 11.844 1.00 0.00 C ATOM 1244 O VAL A 85 110.223 7.083 11.781 1.00 0.00 O ATOM 1245 CB VAL A 85 108.637 7.741 14.292 1.00 0.00 C ATOM 1246 CG1 VAL A 85 108.714 9.269 14.311 1.00 0.00 C ATOM 1247 CG2 VAL A 85 107.675 7.272 15.386 1.00 0.00 C ATOM 0 H VAL A 85 108.831 5.303 13.161 1.00 0.00 H new ATOM 0 HA VAL A 85 107.168 7.736 12.734 1.00 0.00 H new ATOM 0 HB VAL A 85 109.628 7.323 14.472 1.00 0.00 H new ATOM 0 HG11 VAL A 85 109.072 9.603 15.285 1.00 0.00 H new ATOM 0 HG12 VAL A 85 109.401 9.608 13.535 1.00 0.00 H new ATOM 0 HG13 VAL A 85 107.724 9.686 14.126 1.00 0.00 H new ATOM 0 HG21 VAL A 85 108.035 7.611 16.357 1.00 0.00 H new ATOM 0 HG22 VAL A 85 106.684 7.687 15.202 1.00 0.00 H new ATOM 0 HG23 VAL A 85 107.619 6.183 15.379 1.00 0.00 H new ATOM 1257 N GLY A 86 108.745 8.578 10.973 1.00 0.00 N ATOM 1258 CA GLY A 86 109.635 9.022 9.902 1.00 0.00 C ATOM 1259 C GLY A 86 109.854 10.525 9.981 1.00 0.00 C ATOM 1260 O GLY A 86 108.947 11.264 10.353 1.00 0.00 O ATOM 0 H GLY A 86 107.831 9.031 10.985 1.00 0.00 H new ATOM 0 HA2 GLY A 86 110.591 8.505 9.978 1.00 0.00 H new ATOM 0 HA3 GLY A 86 109.207 8.761 8.934 1.00 0.00 H new ATOM 1264 N TYR A 87 111.060 10.976 9.645 1.00 0.00 N ATOM 1265 CA TYR A 87 111.353 12.408 9.653 1.00 0.00 C ATOM 1266 C TYR A 87 112.176 12.807 8.433 1.00 0.00 C ATOM 1267 O TYR A 87 112.901 11.990 7.868 1.00 0.00 O ATOM 1268 CB TYR A 87 112.091 12.788 10.942 1.00 0.00 C ATOM 1269 CG TYR A 87 113.504 12.252 11.033 1.00 0.00 C ATOM 1270 CD1 TYR A 87 114.572 13.009 10.542 1.00 0.00 C ATOM 1271 CD2 TYR A 87 113.742 11.004 11.619 1.00 0.00 C ATOM 1272 CE1 TYR A 87 115.881 12.518 10.633 1.00 0.00 C ATOM 1273 CE2 TYR A 87 115.049 10.512 11.710 1.00 0.00 C ATOM 1274 CZ TYR A 87 116.118 11.270 11.217 1.00 0.00 C ATOM 1275 OH TYR A 87 117.408 10.783 11.308 1.00 0.00 O ATOM 0 H TYR A 87 111.841 10.381 9.367 1.00 0.00 H new ATOM 0 HA TYR A 87 110.408 12.949 9.613 1.00 0.00 H new ATOM 0 HB2 TYR A 87 112.121 13.875 11.022 1.00 0.00 H new ATOM 0 HB3 TYR A 87 111.520 12.421 11.795 1.00 0.00 H new ATOM 0 HD1 TYR A 87 114.388 13.973 10.092 1.00 0.00 H new ATOM 0 HD2 TYR A 87 112.917 10.421 12.001 1.00 0.00 H new ATOM 0 HE1 TYR A 87 116.706 13.103 10.253 1.00 0.00 H new ATOM 0 HE2 TYR A 87 115.233 9.548 12.160 1.00 0.00 H new ATOM 0 HH TYR A 87 117.396 9.904 11.741 1.00 0.00 H new ATOM 1285 N GLY A 88 112.055 14.073 8.048 1.00 0.00 N ATOM 1286 CA GLY A 88 112.790 14.596 6.898 1.00 0.00 C ATOM 1287 C GLY A 88 113.593 15.838 7.274 1.00 0.00 C ATOM 1288 O GLY A 88 113.135 16.667 8.060 1.00 0.00 O ATOM 0 H GLY A 88 111.457 14.756 8.513 1.00 0.00 H new ATOM 0 HA2 GLY A 88 113.461 13.829 6.513 1.00 0.00 H new ATOM 0 HA3 GLY A 88 112.092 14.840 6.097 1.00 0.00 H new ATOM 1292 N LYS A 89 114.794 15.959 6.713 1.00 0.00 N ATOM 1293 CA LYS A 89 115.649 17.104 7.011 1.00 0.00 C ATOM 1294 C LYS A 89 116.447 17.539 5.782 1.00 0.00 C ATOM 1295 O LYS A 89 116.706 16.735 4.888 1.00 0.00 O ATOM 1296 CB LYS A 89 116.579 16.760 8.184 1.00 0.00 C ATOM 1297 CG LYS A 89 117.591 15.679 7.784 1.00 0.00 C ATOM 1298 CD LYS A 89 118.412 15.269 9.008 1.00 0.00 C ATOM 1299 CE LYS A 89 119.611 14.432 8.563 1.00 0.00 C ATOM 1300 NZ LYS A 89 119.138 13.103 8.082 1.00 0.00 N ATOM 0 H LYS A 89 115.193 15.287 6.058 1.00 0.00 H new ATOM 0 HA LYS A 89 115.018 17.946 7.296 1.00 0.00 H new ATOM 0 HB2 LYS A 89 117.108 17.656 8.508 1.00 0.00 H new ATOM 0 HB3 LYS A 89 115.988 16.414 9.032 1.00 0.00 H new ATOM 0 HG2 LYS A 89 117.071 14.813 7.375 1.00 0.00 H new ATOM 0 HG3 LYS A 89 118.249 16.054 7.001 1.00 0.00 H new ATOM 0 HD2 LYS A 89 118.753 16.155 9.544 1.00 0.00 H new ATOM 0 HD3 LYS A 89 117.793 14.697 9.699 1.00 0.00 H new ATOM 0 HE2 LYS A 89 120.153 14.946 7.769 1.00 0.00 H new ATOM 0 HE3 LYS A 89 120.307 14.304 9.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 119.957 12.503 7.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 118.567 12.649 8.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 118.559 13.229 7.228 1.00 0.00 H new ATOM 1314 N PHE A 90 116.824 18.816 5.745 1.00 0.00 N ATOM 1315 CA PHE A 90 117.639 19.335 4.651 1.00 0.00 C ATOM 1316 C PHE A 90 119.101 19.441 5.074 1.00 0.00 C ATOM 1317 O PHE A 90 119.407 19.905 6.172 1.00 0.00 O ATOM 1318 CB PHE A 90 117.134 20.715 4.226 1.00 0.00 C ATOM 1319 CG PHE A 90 117.916 21.321 3.084 1.00 0.00 C ATOM 1320 CD1 PHE A 90 119.033 22.123 3.350 1.00 0.00 C ATOM 1321 CD2 PHE A 90 117.523 21.084 1.760 1.00 0.00 C ATOM 1322 CE1 PHE A 90 119.756 22.687 2.293 1.00 0.00 C ATOM 1323 CE2 PHE A 90 118.248 21.648 0.705 1.00 0.00 C ATOM 1324 CZ PHE A 90 119.364 22.450 0.969 1.00 0.00 C ATOM 0 H PHE A 90 116.579 19.506 6.456 1.00 0.00 H new ATOM 0 HA PHE A 90 117.561 18.644 3.811 1.00 0.00 H new ATOM 0 HB2 PHE A 90 116.086 20.636 3.936 1.00 0.00 H new ATOM 0 HB3 PHE A 90 117.177 21.388 5.082 1.00 0.00 H new ATOM 0 HD1 PHE A 90 119.336 22.306 4.370 1.00 0.00 H new ATOM 0 HD2 PHE A 90 116.661 20.466 1.554 1.00 0.00 H new ATOM 0 HE1 PHE A 90 120.617 23.306 2.498 1.00 0.00 H new ATOM 0 HE2 PHE A 90 117.946 21.464 -0.315 1.00 0.00 H new ATOM 0 HZ PHE A 90 119.922 22.886 0.153 1.00 0.00 H new ATOM 1334 N GLN A 91 119.998 19.003 4.198 1.00 0.00 N ATOM 1335 CA GLN A 91 121.428 19.075 4.480 1.00 0.00 C ATOM 1336 C GLN A 91 122.053 20.264 3.756 1.00 0.00 C ATOM 1337 O GLN A 91 121.882 20.427 2.548 1.00 0.00 O ATOM 1338 CB GLN A 91 122.114 17.783 4.031 1.00 0.00 C ATOM 1339 CG GLN A 91 123.585 17.806 4.456 1.00 0.00 C ATOM 1340 CD GLN A 91 124.288 16.504 4.068 1.00 0.00 C ATOM 1341 OE1 GLN A 91 123.652 15.547 3.628 1.00 0.00 O ATOM 1342 NE2 GLN A 91 125.583 16.415 4.209 1.00 0.00 N ATOM 0 H GLN A 91 119.763 18.597 3.292 1.00 0.00 H new ATOM 0 HA GLN A 91 121.564 19.203 5.554 1.00 0.00 H new ATOM 0 HB2 GLN A 91 121.612 16.921 4.471 1.00 0.00 H new ATOM 0 HB3 GLN A 91 122.040 17.677 2.949 1.00 0.00 H new ATOM 0 HG2 GLN A 91 124.090 18.650 3.986 1.00 0.00 H new ATOM 0 HG3 GLN A 91 123.654 17.953 5.534 1.00 0.00 H new ATOM 0 HE21 GLN A 91 126.112 17.207 4.574 1.00 0.00 H new ATOM 0 HE22 GLN A 91 126.066 15.553 3.955 1.00 0.00 H new ATOM 1351 N THR A 92 122.775 21.096 4.504 1.00 0.00 N ATOM 1352 CA THR A 92 123.422 22.270 3.926 1.00 0.00 C ATOM 1353 C THR A 92 124.932 22.065 3.855 1.00 0.00 C ATOM 1354 O THR A 92 125.547 21.599 4.813 1.00 0.00 O ATOM 1355 CB THR A 92 123.117 23.503 4.780 1.00 0.00 C ATOM 1356 OG1 THR A 92 121.714 23.613 4.967 1.00 0.00 O ATOM 1357 CG2 THR A 92 123.641 24.756 4.076 1.00 0.00 C ATOM 0 H THR A 92 122.926 20.979 5.506 1.00 0.00 H new ATOM 0 HA THR A 92 123.036 22.418 2.917 1.00 0.00 H new ATOM 0 HB THR A 92 123.605 23.404 5.749 1.00 0.00 H new ATOM 0 HG1 THR A 92 121.250 23.091 4.279 1.00 0.00 H new ATOM 0 HG21 THR A 92 123.423 25.633 4.685 1.00 0.00 H new ATOM 0 HG22 THR A 92 124.718 24.670 3.935 1.00 0.00 H new ATOM 0 HG23 THR A 92 123.155 24.858 3.106 1.00 0.00 H new ATOM 1365 N THR A 93 125.525 22.424 2.721 1.00 0.00 N ATOM 1366 CA THR A 93 126.962 22.266 2.541 1.00 0.00 C ATOM 1367 C THR A 93 127.461 23.113 1.374 1.00 0.00 C ATOM 1368 O THR A 93 128.221 24.062 1.563 1.00 0.00 O ATOM 1369 CB THR A 93 127.298 20.796 2.280 1.00 0.00 C ATOM 1370 OG1 THR A 93 126.730 19.992 3.304 1.00 0.00 O ATOM 1371 CG2 THR A 93 128.816 20.611 2.268 1.00 0.00 C ATOM 0 H THR A 93 125.037 22.823 1.919 1.00 0.00 H new ATOM 0 HA THR A 93 127.456 22.600 3.453 1.00 0.00 H new ATOM 0 HB THR A 93 126.890 20.497 1.314 1.00 0.00 H new ATOM 0 HG1 THR A 93 126.591 20.536 4.108 1.00 0.00 H new ATOM 0 HG21 THR A 93 129.053 19.564 2.082 1.00 0.00 H new ATOM 0 HG22 THR A 93 129.251 21.227 1.481 1.00 0.00 H new ATOM 0 HG23 THR A 93 129.227 20.910 3.232 1.00 0.00 H new ATOM 1379 N GLU A 94 127.029 22.762 0.168 1.00 0.00 N ATOM 1380 CA GLU A 94 127.488 23.455 -1.031 1.00 0.00 C ATOM 1381 C GLU A 94 127.173 24.946 -0.958 1.00 0.00 C ATOM 1382 O GLU A 94 127.975 25.776 -1.387 1.00 0.00 O ATOM 1383 CB GLU A 94 126.819 22.852 -2.268 1.00 0.00 C ATOM 1384 CG GLU A 94 127.442 23.455 -3.534 1.00 0.00 C ATOM 1385 CD GLU A 94 126.748 22.956 -4.807 1.00 0.00 C ATOM 1386 OE1 GLU A 94 125.797 22.195 -4.714 1.00 0.00 O ATOM 1387 OE2 GLU A 94 127.187 23.354 -5.875 1.00 0.00 O ATOM 0 H GLU A 94 126.366 22.007 -0.006 1.00 0.00 H new ATOM 0 HA GLU A 94 128.569 23.333 -1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 94 126.943 21.769 -2.270 1.00 0.00 H new ATOM 0 HB3 GLU A 94 125.747 23.050 -2.248 1.00 0.00 H new ATOM 0 HG2 GLU A 94 127.377 24.542 -3.488 1.00 0.00 H new ATOM 0 HG3 GLU A 94 128.501 23.200 -3.574 1.00 0.00 H new ATOM 1394 N TYR A 95 126.006 25.282 -0.417 1.00 0.00 N ATOM 1395 CA TYR A 95 125.604 26.681 -0.314 1.00 0.00 C ATOM 1396 C TYR A 95 124.532 26.853 0.770 1.00 0.00 C ATOM 1397 O TYR A 95 123.784 25.912 1.044 1.00 0.00 O ATOM 1398 CB TYR A 95 125.076 27.167 -1.669 1.00 0.00 C ATOM 1399 CG TYR A 95 125.460 28.594 -1.987 1.00 0.00 C ATOM 1400 CD1 TYR A 95 126.810 28.963 -2.024 1.00 0.00 C ATOM 1401 CD2 TYR A 95 124.466 29.545 -2.248 1.00 0.00 C ATOM 1402 CE1 TYR A 95 127.166 30.284 -2.321 1.00 0.00 C ATOM 1403 CE2 TYR A 95 124.823 30.865 -2.543 1.00 0.00 C ATOM 1404 CZ TYR A 95 126.172 31.235 -2.581 1.00 0.00 C ATOM 1405 OH TYR A 95 126.524 32.537 -2.874 1.00 0.00 O ATOM 0 H TYR A 95 125.329 24.614 -0.047 1.00 0.00 H new ATOM 0 HA TYR A 95 126.471 27.279 -0.034 1.00 0.00 H new ATOM 0 HB2 TYR A 95 125.456 26.513 -2.454 1.00 0.00 H new ATOM 0 HB3 TYR A 95 123.990 27.080 -1.679 1.00 0.00 H new ATOM 0 HD1 TYR A 95 127.576 28.229 -1.824 1.00 0.00 H new ATOM 0 HD2 TYR A 95 123.425 29.260 -2.222 1.00 0.00 H new ATOM 0 HE1 TYR A 95 128.207 30.569 -2.350 1.00 0.00 H new ATOM 0 HE2 TYR A 95 124.057 31.599 -2.742 1.00 0.00 H new ATOM 0 HH TYR A 95 125.715 33.068 -3.030 1.00 0.00 H new ATOM 1415 N PRO A 96 124.433 28.009 1.391 1.00 0.00 N ATOM 1416 CA PRO A 96 123.391 28.256 2.427 1.00 0.00 C ATOM 1417 C PRO A 96 122.102 28.809 1.822 1.00 0.00 C ATOM 1418 O PRO A 96 122.125 29.452 0.772 1.00 0.00 O ATOM 1419 CB PRO A 96 124.053 29.286 3.339 1.00 0.00 C ATOM 1420 CG PRO A 96 124.962 30.075 2.455 1.00 0.00 C ATOM 1421 CD PRO A 96 125.273 29.213 1.227 1.00 0.00 C ATOM 0 HA PRO A 96 123.089 27.345 2.944 1.00 0.00 H new ATOM 0 HB2 PRO A 96 123.309 29.928 3.811 1.00 0.00 H new ATOM 0 HB3 PRO A 96 124.609 28.800 4.141 1.00 0.00 H new ATOM 0 HG2 PRO A 96 124.489 31.011 2.157 1.00 0.00 H new ATOM 0 HG3 PRO A 96 125.879 30.335 2.983 1.00 0.00 H new ATOM 0 HD2 PRO A 96 125.034 29.739 0.303 1.00 0.00 H new ATOM 0 HD3 PRO A 96 126.331 28.955 1.182 1.00 0.00 H new ATOM 1429 N THR A 97 120.981 28.553 2.492 1.00 0.00 N ATOM 1430 CA THR A 97 119.687 29.031 2.014 1.00 0.00 C ATOM 1431 C THR A 97 118.870 29.624 3.160 1.00 0.00 C ATOM 1432 O THR A 97 119.023 29.226 4.314 1.00 0.00 O ATOM 1433 CB THR A 97 118.919 27.879 1.362 1.00 0.00 C ATOM 1434 OG1 THR A 97 117.669 28.354 0.881 1.00 0.00 O ATOM 1435 CG2 THR A 97 118.695 26.755 2.376 1.00 0.00 C ATOM 0 H THR A 97 120.942 28.021 3.361 1.00 0.00 H new ATOM 0 HA THR A 97 119.857 29.815 1.276 1.00 0.00 H new ATOM 0 HB THR A 97 119.502 27.487 0.528 1.00 0.00 H new ATOM 0 HG1 THR A 97 117.178 27.617 0.462 1.00 0.00 H new ATOM 0 HG21 THR A 97 118.148 25.941 1.901 1.00 0.00 H new ATOM 0 HG22 THR A 97 119.658 26.387 2.730 1.00 0.00 H new ATOM 0 HG23 THR A 97 118.119 27.136 3.220 1.00 0.00 H new ATOM 1443 N TYR A 98 118.003 30.576 2.830 1.00 0.00 N ATOM 1444 CA TYR A 98 117.169 31.223 3.838 1.00 0.00 C ATOM 1445 C TYR A 98 116.159 30.244 4.429 1.00 0.00 C ATOM 1446 O TYR A 98 115.881 30.275 5.628 1.00 0.00 O ATOM 1447 CB TYR A 98 116.427 32.407 3.217 1.00 0.00 C ATOM 1448 CG TYR A 98 117.346 33.493 2.707 1.00 0.00 C ATOM 1449 CD1 TYR A 98 117.813 33.453 1.389 1.00 0.00 C ATOM 1450 CD2 TYR A 98 117.732 34.538 3.556 1.00 0.00 C ATOM 1451 CE1 TYR A 98 118.665 34.459 0.917 1.00 0.00 C ATOM 1452 CE2 TYR A 98 118.584 35.544 3.084 1.00 0.00 C ATOM 1453 CZ TYR A 98 119.049 35.505 1.764 1.00 0.00 C ATOM 1454 OH TYR A 98 119.888 36.496 1.300 1.00 0.00 O ATOM 0 H TYR A 98 117.860 30.915 1.879 1.00 0.00 H new ATOM 0 HA TYR A 98 117.819 31.574 4.639 1.00 0.00 H new ATOM 0 HB2 TYR A 98 115.810 32.048 2.393 1.00 0.00 H new ATOM 0 HB3 TYR A 98 115.752 32.832 3.959 1.00 0.00 H new ATOM 0 HD1 TYR A 98 117.516 32.646 0.735 1.00 0.00 H new ATOM 0 HD2 TYR A 98 117.373 34.568 4.574 1.00 0.00 H new ATOM 0 HE1 TYR A 98 119.026 34.428 -0.100 1.00 0.00 H new ATOM 0 HE2 TYR A 98 118.882 36.350 3.738 1.00 0.00 H new ATOM 0 HH TYR A 98 120.054 37.145 2.015 1.00 0.00 H new ATOM 1464 N LYS A 99 115.611 29.374 3.584 1.00 0.00 N ATOM 1465 CA LYS A 99 114.613 28.410 4.038 1.00 0.00 C ATOM 1466 C LYS A 99 115.259 27.056 4.310 1.00 0.00 C ATOM 1467 O LYS A 99 116.092 26.588 3.532 1.00 0.00 O ATOM 1468 CB LYS A 99 113.521 28.251 2.979 1.00 0.00 C ATOM 1469 CG LYS A 99 112.766 29.574 2.822 1.00 0.00 C ATOM 1470 CD LYS A 99 111.775 29.465 1.661 1.00 0.00 C ATOM 1471 CE LYS A 99 110.641 28.506 2.035 1.00 0.00 C ATOM 1472 NZ LYS A 99 109.977 28.979 3.284 1.00 0.00 N ATOM 0 H LYS A 99 115.838 29.317 2.591 1.00 0.00 H new ATOM 0 HA LYS A 99 114.172 28.782 4.963 1.00 0.00 H new ATOM 0 HB2 LYS A 99 113.963 27.957 2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 99 112.831 27.458 3.269 1.00 0.00 H new ATOM 0 HG2 LYS A 99 112.236 29.814 3.744 1.00 0.00 H new ATOM 0 HG3 LYS A 99 113.469 30.386 2.638 1.00 0.00 H new ATOM 0 HD2 LYS A 99 111.369 30.448 1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 99 112.286 29.107 0.767 1.00 0.00 H new ATOM 0 HE2 LYS A 99 109.915 28.451 1.224 1.00 0.00 H new ATOM 0 HE3 LYS A 99 111.035 27.500 2.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 109.000 28.623 3.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 110.500 28.625 4.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 109.967 30.019 3.299 1.00 0.00 H new ATOM 1486 N HIS A 100 114.868 26.424 5.414 1.00 0.00 N ATOM 1487 CA HIS A 100 115.429 25.131 5.790 1.00 0.00 C ATOM 1488 C HIS A 100 114.318 24.136 6.114 1.00 0.00 C ATOM 1489 O HIS A 100 113.452 24.408 6.946 1.00 0.00 O ATOM 1490 CB HIS A 100 116.336 25.301 7.011 1.00 0.00 C ATOM 1491 CG HIS A 100 117.164 24.083 7.319 1.00 0.00 C ATOM 1492 ND1 HIS A 100 118.185 23.656 6.487 1.00 0.00 N ATOM 1493 CD2 HIS A 100 117.138 23.195 8.368 1.00 0.00 C ATOM 1494 CE1 HIS A 100 118.729 22.558 7.040 1.00 0.00 C ATOM 1495 NE2 HIS A 100 118.129 22.233 8.190 1.00 0.00 N ATOM 0 H HIS A 100 114.167 26.785 6.061 1.00 0.00 H new ATOM 0 HA HIS A 100 116.009 24.746 4.951 1.00 0.00 H new ATOM 0 HB2 HIS A 100 117.000 26.149 6.845 1.00 0.00 H new ATOM 0 HB3 HIS A 100 115.722 25.542 7.879 1.00 0.00 H new ATOM 0 HD2 HIS A 100 116.454 23.237 9.203 1.00 0.00 H new ATOM 0 HE1 HIS A 100 119.550 22.006 6.608 1.00 0.00 H new ATOM 0 HE2 HIS A 100 118.350 21.449 8.804 1.00 0.00 H new ATOM 1503 N ASP A 101 114.351 22.986 5.452 1.00 0.00 N ATOM 1504 CA ASP A 101 113.353 21.944 5.691 1.00 0.00 C ATOM 1505 C ASP A 101 113.334 21.507 7.158 1.00 0.00 C ATOM 1506 O ASP A 101 112.291 21.095 7.663 1.00 0.00 O ATOM 1507 CB ASP A 101 113.642 20.728 4.810 1.00 0.00 C ATOM 1508 CG ASP A 101 112.438 19.791 4.807 1.00 0.00 C ATOM 1509 OD1 ASP A 101 111.530 20.027 4.030 1.00 0.00 O ATOM 1510 OD2 ASP A 101 112.445 18.849 5.583 1.00 0.00 O ATOM 0 H ASP A 101 115.052 22.750 4.750 1.00 0.00 H new ATOM 0 HA ASP A 101 112.378 22.362 5.443 1.00 0.00 H new ATOM 0 HB2 ASP A 101 113.866 21.050 3.793 1.00 0.00 H new ATOM 0 HB3 ASP A 101 114.522 20.202 5.179 1.00 0.00 H new ATOM 1515 N THR A 102 114.501 21.543 7.807 1.00 0.00 N ATOM 1516 CA THR A 102 114.646 21.164 9.213 1.00 0.00 C ATOM 1517 C THR A 102 113.945 19.839 9.517 1.00 0.00 C ATOM 1518 O THR A 102 113.531 19.127 8.601 1.00 0.00 O ATOM 1519 CB THR A 102 114.161 22.292 10.142 1.00 0.00 C ATOM 1520 OG1 THR A 102 114.567 22.001 11.473 1.00 0.00 O ATOM 1521 CG2 THR A 102 112.638 22.445 10.108 1.00 0.00 C ATOM 0 H THR A 102 115.374 21.837 7.369 1.00 0.00 H new ATOM 0 HA THR A 102 115.708 21.011 9.406 1.00 0.00 H new ATOM 0 HB THR A 102 114.601 23.227 9.795 1.00 0.00 H new ATOM 0 HG1 THR A 102 113.778 21.947 12.051 1.00 0.00 H new ATOM 0 HG21 THR A 102 112.338 23.251 10.777 1.00 0.00 H new ATOM 0 HG22 THR A 102 112.318 22.679 9.092 1.00 0.00 H new ATOM 0 HG23 THR A 102 112.172 21.514 10.430 1.00 0.00 H new ATOM 1529 N SER A 103 113.829 19.502 10.799 1.00 0.00 N ATOM 1530 CA SER A 103 113.296 18.200 11.184 1.00 0.00 C ATOM 1531 C SER A 103 111.808 18.274 11.508 1.00 0.00 C ATOM 1532 O SER A 103 111.376 19.060 12.352 1.00 0.00 O ATOM 1533 CB SER A 103 114.052 17.671 12.403 1.00 0.00 C ATOM 1534 OG SER A 103 113.611 16.353 12.691 1.00 0.00 O ATOM 0 H SER A 103 114.093 20.104 11.579 1.00 0.00 H new ATOM 0 HA SER A 103 113.428 17.525 10.338 1.00 0.00 H new ATOM 0 HB2 SER A 103 115.125 17.674 12.210 1.00 0.00 H new ATOM 0 HB3 SER A 103 113.881 18.320 13.262 1.00 0.00 H new ATOM 0 HG SER A 103 114.094 16.009 13.471 1.00 0.00 H new ATOM 1540 N ASP A 104 111.033 17.436 10.823 1.00 0.00 N ATOM 1541 CA ASP A 104 109.614 17.284 11.115 1.00 0.00 C ATOM 1542 C ASP A 104 109.262 15.802 11.089 1.00 0.00 C ATOM 1543 O ASP A 104 109.785 15.063 10.254 1.00 0.00 O ATOM 1544 CB ASP A 104 108.776 18.033 10.074 1.00 0.00 C ATOM 1545 CG ASP A 104 109.058 19.533 10.138 1.00 0.00 C ATOM 1546 OD1 ASP A 104 109.349 20.022 11.217 1.00 0.00 O ATOM 1547 OD2 ASP A 104 108.980 20.171 9.101 1.00 0.00 O ATOM 0 H ASP A 104 111.368 16.850 10.058 1.00 0.00 H new ATOM 0 HA ASP A 104 109.399 17.700 12.099 1.00 0.00 H new ATOM 0 HB2 ASP A 104 109.003 17.657 9.077 1.00 0.00 H new ATOM 0 HB3 ASP A 104 107.716 17.848 10.251 1.00 0.00 H new ATOM 1552 N TYR A 105 108.384 15.380 11.998 1.00 0.00 N ATOM 1553 CA TYR A 105 108.059 13.961 12.148 1.00 0.00 C ATOM 1554 C TYR A 105 106.653 13.650 11.641 1.00 0.00 C ATOM 1555 O TYR A 105 105.761 14.495 11.697 1.00 0.00 O ATOM 1556 CB TYR A 105 108.154 13.568 13.624 1.00 0.00 C ATOM 1557 CG TYR A 105 109.508 13.832 14.236 1.00 0.00 C ATOM 1558 CD1 TYR A 105 110.514 12.860 14.159 1.00 0.00 C ATOM 1559 CD2 TYR A 105 109.760 15.048 14.881 1.00 0.00 C ATOM 1560 CE1 TYR A 105 111.769 13.106 14.727 1.00 0.00 C ATOM 1561 CE2 TYR A 105 111.015 15.294 15.448 1.00 0.00 C ATOM 1562 CZ TYR A 105 112.021 14.323 15.372 1.00 0.00 C ATOM 1563 OH TYR A 105 113.258 14.565 15.931 1.00 0.00 O ATOM 0 H TYR A 105 107.886 15.997 12.640 1.00 0.00 H new ATOM 0 HA TYR A 105 108.773 13.390 11.554 1.00 0.00 H new ATOM 0 HB2 TYR A 105 107.398 14.116 14.186 1.00 0.00 H new ATOM 0 HB3 TYR A 105 107.920 12.508 13.724 1.00 0.00 H new ATOM 0 HD1 TYR A 105 110.321 11.921 13.661 1.00 0.00 H new ATOM 0 HD2 TYR A 105 108.985 15.797 14.941 1.00 0.00 H new ATOM 0 HE1 TYR A 105 112.544 12.356 14.668 1.00 0.00 H new ATOM 0 HE2 TYR A 105 111.208 16.233 15.945 1.00 0.00 H new ATOM 0 HH TYR A 105 113.264 15.457 16.338 1.00 0.00 H new ATOM 1573 N GLY A 106 106.468 12.428 11.145 1.00 0.00 N ATOM 1574 CA GLY A 106 105.154 11.975 10.705 1.00 0.00 C ATOM 1575 C GLY A 106 104.965 10.509 11.074 1.00 0.00 C ATOM 1576 O GLY A 106 105.937 9.814 11.361 1.00 0.00 O ATOM 0 H GLY A 106 107.211 11.737 11.039 1.00 0.00 H new ATOM 0 HA2 GLY A 106 104.376 12.580 11.170 1.00 0.00 H new ATOM 0 HA3 GLY A 106 105.057 12.104 9.627 1.00 0.00 H new ATOM 1580 N PHE A 107 103.723 10.034 11.043 1.00 0.00 N ATOM 1581 CA PHE A 107 103.442 8.646 11.400 1.00 0.00 C ATOM 1582 C PHE A 107 103.175 7.823 10.145 1.00 0.00 C ATOM 1583 O PHE A 107 102.341 8.195 9.318 1.00 0.00 O ATOM 1584 CB PHE A 107 102.225 8.580 12.321 1.00 0.00 C ATOM 1585 CG PHE A 107 102.440 9.269 13.649 1.00 0.00 C ATOM 1586 CD1 PHE A 107 103.058 8.585 14.702 1.00 0.00 C ATOM 1587 CD2 PHE A 107 102.021 10.594 13.827 1.00 0.00 C ATOM 1588 CE1 PHE A 107 103.257 9.221 15.932 1.00 0.00 C ATOM 1589 CE2 PHE A 107 102.221 11.232 15.057 1.00 0.00 C ATOM 1590 CZ PHE A 107 102.839 10.546 16.110 1.00 0.00 C ATOM 0 H PHE A 107 102.904 10.581 10.778 1.00 0.00 H new ATOM 0 HA PHE A 107 104.310 8.237 11.918 1.00 0.00 H new ATOM 0 HB2 PHE A 107 101.372 9.035 11.817 1.00 0.00 H new ATOM 0 HB3 PHE A 107 101.969 7.535 12.499 1.00 0.00 H new ATOM 0 HD1 PHE A 107 103.382 7.564 14.565 1.00 0.00 H new ATOM 0 HD2 PHE A 107 101.544 11.123 13.015 1.00 0.00 H new ATOM 0 HE1 PHE A 107 103.733 8.691 16.744 1.00 0.00 H new ATOM 0 HE2 PHE A 107 101.899 12.254 15.194 1.00 0.00 H new ATOM 0 HZ PHE A 107 102.993 11.038 17.059 1.00 0.00 H new ATOM 1600 N SER A 108 103.879 6.701 10.004 1.00 0.00 N ATOM 1601 CA SER A 108 103.674 5.825 8.849 1.00 0.00 C ATOM 1602 C SER A 108 103.100 4.482 9.287 1.00 0.00 C ATOM 1603 O SER A 108 103.484 3.947 10.323 1.00 0.00 O ATOM 1604 CB SER A 108 105.006 5.598 8.131 1.00 0.00 C ATOM 1605 OG SER A 108 105.538 6.852 7.726 1.00 0.00 O ATOM 0 H SER A 108 104.587 6.379 10.664 1.00 0.00 H new ATOM 0 HA SER A 108 102.967 6.305 8.172 1.00 0.00 H new ATOM 0 HB2 SER A 108 105.707 5.088 8.792 1.00 0.00 H new ATOM 0 HB3 SER A 108 104.860 4.954 7.264 1.00 0.00 H new ATOM 0 HG SER A 108 106.392 6.712 7.267 1.00 0.00 H new ATOM 1611 N TYR A 109 102.176 3.948 8.493 1.00 0.00 N ATOM 1612 CA TYR A 109 101.590 2.641 8.784 1.00 0.00 C ATOM 1613 C TYR A 109 101.407 1.857 7.491 1.00 0.00 C ATOM 1614 O TYR A 109 101.099 2.449 6.458 1.00 0.00 O ATOM 1615 CB TYR A 109 100.236 2.816 9.475 1.00 0.00 C ATOM 1616 CG TYR A 109 99.597 1.510 9.882 1.00 0.00 C ATOM 1617 CD1 TYR A 109 99.928 0.918 11.107 1.00 0.00 C ATOM 1618 CD2 TYR A 109 98.670 0.890 9.034 1.00 0.00 C ATOM 1619 CE1 TYR A 109 99.334 -0.292 11.484 1.00 0.00 C ATOM 1620 CE2 TYR A 109 98.078 -0.321 9.411 1.00 0.00 C ATOM 1621 CZ TYR A 109 98.409 -0.913 10.636 1.00 0.00 C ATOM 1622 OH TYR A 109 97.824 -2.105 11.008 1.00 0.00 O ATOM 0 H TYR A 109 101.818 4.395 7.649 1.00 0.00 H new ATOM 0 HA TYR A 109 102.260 2.093 9.446 1.00 0.00 H new ATOM 0 HB2 TYR A 109 100.366 3.440 10.360 1.00 0.00 H new ATOM 0 HB3 TYR A 109 99.561 3.349 8.805 1.00 0.00 H new ATOM 0 HD1 TYR A 109 100.642 1.395 11.761 1.00 0.00 H new ATOM 0 HD2 TYR A 109 98.412 1.346 8.090 1.00 0.00 H new ATOM 0 HE1 TYR A 109 99.589 -0.747 12.430 1.00 0.00 H new ATOM 0 HE2 TYR A 109 97.365 -0.799 8.756 1.00 0.00 H new ATOM 0 HH TYR A 109 97.206 -2.399 10.307 1.00 0.00 H new ATOM 1632 N GLY A 110 101.602 0.540 7.540 1.00 0.00 N ATOM 1633 CA GLY A 110 101.482 -0.268 6.328 1.00 0.00 C ATOM 1634 C GLY A 110 101.232 -1.738 6.638 1.00 0.00 C ATOM 1635 O GLY A 110 101.231 -2.150 7.796 1.00 0.00 O ATOM 0 H GLY A 110 101.838 0.020 8.385 1.00 0.00 H new ATOM 0 HA2 GLY A 110 100.666 0.116 5.717 1.00 0.00 H new ATOM 0 HA3 GLY A 110 102.394 -0.173 5.738 1.00 0.00 H new ATOM 1639 N ALA A 111 101.042 -2.520 5.581 1.00 0.00 N ATOM 1640 CA ALA A 111 100.807 -3.953 5.725 1.00 0.00 C ATOM 1641 C ALA A 111 101.292 -4.705 4.489 1.00 0.00 C ATOM 1642 O ALA A 111 101.280 -4.163 3.384 1.00 0.00 O ATOM 1643 CB ALA A 111 99.315 -4.219 5.937 1.00 0.00 C ATOM 0 H ALA A 111 101.046 -2.187 4.617 1.00 0.00 H new ATOM 0 HA ALA A 111 101.365 -4.308 6.591 1.00 0.00 H new ATOM 0 HB1 ALA A 111 99.148 -5.291 6.044 1.00 0.00 H new ATOM 0 HB2 ALA A 111 98.979 -3.708 6.839 1.00 0.00 H new ATOM 0 HB3 ALA A 111 98.754 -3.848 5.079 1.00 0.00 H new ATOM 1649 N GLY A 112 101.706 -5.956 4.675 1.00 0.00 N ATOM 1650 CA GLY A 112 102.224 -6.745 3.557 1.00 0.00 C ATOM 1651 C GLY A 112 101.868 -8.225 3.679 1.00 0.00 C ATOM 1652 O GLY A 112 101.566 -8.711 4.770 1.00 0.00 O ATOM 0 H GLY A 112 101.694 -6.440 5.573 1.00 0.00 H new ATOM 0 HA2 GLY A 112 101.824 -6.353 2.622 1.00 0.00 H new ATOM 0 HA3 GLY A 112 103.308 -6.637 3.510 1.00 0.00 H new ATOM 1656 N LEU A 113 101.928 -8.927 2.548 1.00 0.00 N ATOM 1657 CA LEU A 113 101.631 -10.358 2.499 1.00 0.00 C ATOM 1658 C LEU A 113 102.898 -11.126 2.137 1.00 0.00 C ATOM 1659 O LEU A 113 103.748 -10.594 1.425 1.00 0.00 O ATOM 1660 CB LEU A 113 100.541 -10.640 1.461 1.00 0.00 C ATOM 1661 CG LEU A 113 99.288 -9.816 1.778 1.00 0.00 C ATOM 1662 CD1 LEU A 113 98.244 -10.041 0.683 1.00 0.00 C ATOM 1663 CD2 LEU A 113 98.705 -10.258 3.124 1.00 0.00 C ATOM 0 H LEU A 113 102.182 -8.524 1.646 1.00 0.00 H new ATOM 0 HA LEU A 113 101.274 -10.681 3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 113 100.905 -10.394 0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 113 100.296 -11.702 1.458 1.00 0.00 H new ATOM 0 HG LEU A 113 99.554 -8.760 1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 113 97.351 -9.456 0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 113 98.652 -9.729 -0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 113 97.984 -11.099 0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 113 97.814 -9.670 3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 113 98.440 -11.314 3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 113 99.445 -10.105 3.909 1.00 0.00 H new ATOM 1675 N GLN A 114 103.036 -12.369 2.611 1.00 0.00 N ATOM 1676 CA GLN A 114 104.270 -13.124 2.379 1.00 0.00 C ATOM 1677 C GLN A 114 104.012 -14.434 1.642 1.00 0.00 C ATOM 1678 O GLN A 114 103.045 -15.143 1.920 1.00 0.00 O ATOM 1679 CB GLN A 114 104.949 -13.433 3.716 1.00 0.00 C ATOM 1680 CG GLN A 114 106.338 -14.028 3.457 1.00 0.00 C ATOM 1681 CD GLN A 114 107.063 -14.320 4.770 1.00 0.00 C ATOM 1682 OE1 GLN A 114 106.589 -13.964 5.850 1.00 0.00 O ATOM 1683 NE2 GLN A 114 108.204 -14.951 4.740 1.00 0.00 N ATOM 0 H GLN A 114 102.324 -12.865 3.147 1.00 0.00 H new ATOM 0 HA GLN A 114 104.915 -12.504 1.756 1.00 0.00 H new ATOM 0 HB2 GLN A 114 105.036 -12.524 4.311 1.00 0.00 H new ATOM 0 HB3 GLN A 114 104.343 -14.133 4.291 1.00 0.00 H new ATOM 0 HG2 GLN A 114 106.242 -14.947 2.879 1.00 0.00 H new ATOM 0 HG3 GLN A 114 106.928 -13.335 2.858 1.00 0.00 H new ATOM 0 HE21 GLN A 114 108.600 -15.247 3.848 1.00 0.00 H new ATOM 0 HE22 GLN A 114 108.701 -15.148 5.609 1.00 0.00 H new ATOM 1692 N PHE A 115 104.894 -14.740 0.695 1.00 0.00 N ATOM 1693 CA PHE A 115 104.915 -16.047 0.053 1.00 0.00 C ATOM 1694 C PHE A 115 106.326 -16.593 0.194 1.00 0.00 C ATOM 1695 O PHE A 115 107.250 -16.069 -0.428 1.00 0.00 O ATOM 1696 CB PHE A 115 104.558 -15.910 -1.429 1.00 0.00 C ATOM 1697 CG PHE A 115 104.553 -17.224 -2.175 1.00 0.00 C ATOM 1698 CD1 PHE A 115 105.759 -17.783 -2.617 1.00 0.00 C ATOM 1699 CD2 PHE A 115 103.343 -17.881 -2.433 1.00 0.00 C ATOM 1700 CE1 PHE A 115 105.753 -18.998 -3.313 1.00 0.00 C ATOM 1701 CE2 PHE A 115 103.338 -19.094 -3.129 1.00 0.00 C ATOM 1702 CZ PHE A 115 104.544 -19.653 -3.569 1.00 0.00 C ATOM 0 H PHE A 115 105.607 -14.095 0.355 1.00 0.00 H new ATOM 0 HA PHE A 115 104.189 -16.716 0.516 1.00 0.00 H new ATOM 0 HB2 PHE A 115 103.574 -15.449 -1.516 1.00 0.00 H new ATOM 0 HB3 PHE A 115 105.269 -15.235 -1.904 1.00 0.00 H new ATOM 0 HD1 PHE A 115 106.693 -17.277 -2.421 1.00 0.00 H new ATOM 0 HD2 PHE A 115 102.413 -17.450 -2.094 1.00 0.00 H new ATOM 0 HE1 PHE A 115 106.683 -19.430 -3.652 1.00 0.00 H new ATOM 0 HE2 PHE A 115 102.404 -19.599 -3.327 1.00 0.00 H new ATOM 0 HZ PHE A 115 104.541 -20.590 -4.106 1.00 0.00 H new ATOM 1712 N ASN A 116 106.510 -17.626 1.016 1.00 0.00 N ATOM 1713 CA ASN A 116 107.863 -18.052 1.376 1.00 0.00 C ATOM 1714 C ASN A 116 108.137 -19.511 1.002 1.00 0.00 C ATOM 1715 O ASN A 116 107.410 -20.412 1.418 1.00 0.00 O ATOM 1716 CB ASN A 116 108.025 -17.893 2.892 1.00 0.00 C ATOM 1717 CG ASN A 116 109.444 -18.247 3.329 1.00 0.00 C ATOM 1718 OD1 ASN A 116 110.225 -17.366 3.684 1.00 0.00 O ATOM 1719 ND2 ASN A 116 109.822 -19.498 3.328 1.00 0.00 N ATOM 0 H ASN A 116 105.759 -18.173 1.437 1.00 0.00 H new ATOM 0 HA ASN A 116 108.571 -17.434 0.824 1.00 0.00 H new ATOM 0 HB2 ASN A 116 107.797 -16.867 3.180 1.00 0.00 H new ATOM 0 HB3 ASN A 116 107.311 -18.535 3.407 1.00 0.00 H new ATOM 0 HD21 ASN A 116 110.767 -19.746 3.622 1.00 0.00 H new ATOM 0 HD22 ASN A 116 109.172 -20.227 3.033 1.00 0.00 H new ATOM 1726 N PRO A 117 109.170 -19.756 0.234 1.00 0.00 N ATOM 1727 CA PRO A 117 109.872 -21.060 0.204 1.00 0.00 C ATOM 1728 C PRO A 117 111.207 -20.933 0.935 1.00 0.00 C ATOM 1729 O PRO A 117 111.570 -19.840 1.368 1.00 0.00 O ATOM 1730 CB PRO A 117 110.078 -21.312 -1.294 1.00 0.00 C ATOM 1731 CG PRO A 117 109.901 -19.986 -1.971 1.00 0.00 C ATOM 1732 CD PRO A 117 109.684 -18.941 -0.873 1.00 0.00 C ATOM 0 HA PRO A 117 109.329 -21.871 0.690 1.00 0.00 H new ATOM 0 HB2 PRO A 117 111.071 -21.718 -1.487 1.00 0.00 H new ATOM 0 HB3 PRO A 117 109.358 -22.039 -1.669 1.00 0.00 H new ATOM 0 HG2 PRO A 117 110.779 -19.739 -2.569 1.00 0.00 H new ATOM 0 HG3 PRO A 117 109.049 -20.012 -2.651 1.00 0.00 H new ATOM 0 HD2 PRO A 117 110.610 -18.431 -0.607 1.00 0.00 H new ATOM 0 HD3 PRO A 117 108.973 -18.173 -1.177 1.00 0.00 H new ATOM 1740 N MET A 118 111.932 -22.037 1.072 1.00 0.00 N ATOM 1741 CA MET A 118 113.212 -22.009 1.772 1.00 0.00 C ATOM 1742 C MET A 118 114.195 -21.073 1.068 1.00 0.00 C ATOM 1743 O MET A 118 114.033 -20.763 -0.112 1.00 0.00 O ATOM 1744 CB MET A 118 113.805 -23.418 1.823 1.00 0.00 C ATOM 1745 CG MET A 118 112.891 -24.326 2.649 1.00 0.00 C ATOM 1746 SD MET A 118 113.686 -25.935 2.893 1.00 0.00 S ATOM 1747 CE MET A 118 113.823 -26.401 1.149 1.00 0.00 C ATOM 0 H MET A 118 111.661 -22.952 0.713 1.00 0.00 H new ATOM 0 HA MET A 118 113.041 -21.643 2.784 1.00 0.00 H new ATOM 0 HB2 MET A 118 113.914 -23.815 0.814 1.00 0.00 H new ATOM 0 HB3 MET A 118 114.802 -23.389 2.264 1.00 0.00 H new ATOM 0 HG2 MET A 118 112.679 -23.864 3.613 1.00 0.00 H new ATOM 0 HG3 MET A 118 111.935 -24.455 2.141 1.00 0.00 H new ATOM 0 HE1 MET A 118 113.917 -27.484 1.068 1.00 0.00 H new ATOM 0 HE2 MET A 118 112.932 -26.073 0.614 1.00 0.00 H new ATOM 0 HE3 MET A 118 114.703 -25.927 0.714 1.00 0.00 H new ATOM 1757 N GLU A 119 115.199 -20.612 1.814 1.00 0.00 N ATOM 1758 CA GLU A 119 116.301 -19.826 1.250 1.00 0.00 C ATOM 1759 C GLU A 119 115.819 -18.451 0.756 1.00 0.00 C ATOM 1760 O GLU A 119 114.707 -18.025 1.072 1.00 0.00 O ATOM 1761 CB GLU A 119 116.976 -20.629 0.125 1.00 0.00 C ATOM 1762 CG GLU A 119 117.489 -21.963 0.687 1.00 0.00 C ATOM 1763 CD GLU A 119 118.255 -22.767 -0.367 1.00 0.00 C ATOM 1764 OE1 GLU A 119 118.219 -22.408 -1.534 1.00 0.00 O ATOM 1765 OE2 GLU A 119 118.876 -23.745 0.016 1.00 0.00 O ATOM 0 H GLU A 119 115.273 -20.770 2.819 1.00 0.00 H new ATOM 0 HA GLU A 119 117.035 -19.633 2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 119 116.267 -20.811 -0.683 1.00 0.00 H new ATOM 0 HB3 GLU A 119 117.802 -20.058 -0.299 1.00 0.00 H new ATOM 0 HG2 GLU A 119 118.139 -21.772 1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 119 116.647 -22.551 1.052 1.00 0.00 H new ATOM 1772 N ASN A 120 116.657 -17.768 -0.031 1.00 0.00 N ATOM 1773 CA ASN A 120 116.405 -16.407 -0.511 1.00 0.00 C ATOM 1774 C ASN A 120 115.113 -16.256 -1.322 1.00 0.00 C ATOM 1775 O ASN A 120 114.678 -15.138 -1.584 1.00 0.00 O ATOM 1776 CB ASN A 120 117.582 -15.950 -1.374 1.00 0.00 C ATOM 1777 CG ASN A 120 117.538 -14.439 -1.573 1.00 0.00 C ATOM 1778 OD1 ASN A 120 116.950 -13.719 -0.765 1.00 0.00 O ATOM 1779 ND2 ASN A 120 118.132 -13.910 -2.608 1.00 0.00 N ATOM 0 H ASN A 120 117.544 -18.153 -0.357 1.00 0.00 H new ATOM 0 HA ASN A 120 116.290 -15.789 0.379 1.00 0.00 H new ATOM 0 HB2 ASN A 120 118.521 -16.234 -0.899 1.00 0.00 H new ATOM 0 HB3 ASN A 120 117.549 -16.452 -2.341 1.00 0.00 H new ATOM 0 HD21 ASN A 120 118.109 -12.900 -2.748 1.00 0.00 H new ATOM 0 HD22 ASN A 120 118.619 -14.507 -3.277 1.00 0.00 H new ATOM 1786 N VAL A 121 114.496 -17.364 -1.707 1.00 0.00 N ATOM 1787 CA VAL A 121 113.412 -17.353 -2.692 1.00 0.00 C ATOM 1788 C VAL A 121 112.068 -16.902 -2.083 1.00 0.00 C ATOM 1789 O VAL A 121 111.015 -17.118 -2.683 1.00 0.00 O ATOM 1790 CB VAL A 121 113.278 -18.743 -3.361 1.00 0.00 C ATOM 1791 CG1 VAL A 121 112.372 -18.659 -4.599 1.00 0.00 C ATOM 1792 CG2 VAL A 121 114.649 -19.274 -3.816 1.00 0.00 C ATOM 0 H VAL A 121 114.727 -18.292 -1.351 1.00 0.00 H new ATOM 0 HA VAL A 121 113.673 -16.618 -3.454 1.00 0.00 H new ATOM 0 HB VAL A 121 112.848 -19.416 -2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 121 112.289 -19.645 -5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 121 111.382 -18.312 -4.303 1.00 0.00 H new ATOM 0 HG13 VAL A 121 112.801 -17.960 -5.317 1.00 0.00 H new ATOM 0 HG21 VAL A 121 114.524 -20.251 -4.282 1.00 0.00 H new ATOM 0 HG22 VAL A 121 115.087 -18.582 -4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 121 115.309 -19.365 -2.953 1.00 0.00 H new ATOM 1802 N ALA A 122 112.078 -16.245 -0.910 1.00 0.00 N ATOM 1803 CA ALA A 122 110.825 -15.820 -0.280 1.00 0.00 C ATOM 1804 C ALA A 122 110.631 -14.316 -0.462 1.00 0.00 C ATOM 1805 O ALA A 122 111.576 -13.546 -0.316 1.00 0.00 O ATOM 1806 CB ALA A 122 110.860 -16.149 1.213 1.00 0.00 C ATOM 0 H ALA A 122 112.922 -16.003 -0.392 1.00 0.00 H new ATOM 0 HA ALA A 122 109.997 -16.349 -0.751 1.00 0.00 H new ATOM 0 HB1 ALA A 122 109.927 -15.831 1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 122 110.984 -17.224 1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 122 111.694 -15.627 1.681 1.00 0.00 H new ATOM 1812 N LEU A 123 109.399 -13.904 -0.773 1.00 0.00 N ATOM 1813 CA LEU A 123 109.132 -12.518 -1.156 1.00 0.00 C ATOM 1814 C LEU A 123 107.987 -11.928 -0.337 1.00 0.00 C ATOM 1815 O LEU A 123 107.089 -12.648 0.097 1.00 0.00 O ATOM 1816 CB LEU A 123 108.767 -12.443 -2.641 1.00 0.00 C ATOM 1817 CG LEU A 123 109.878 -13.063 -3.494 1.00 0.00 C ATOM 1818 CD1 LEU A 123 109.452 -13.058 -4.963 1.00 0.00 C ATOM 1819 CD2 LEU A 123 111.162 -12.246 -3.342 1.00 0.00 C ATOM 0 H LEU A 123 108.576 -14.507 -0.767 1.00 0.00 H new ATOM 0 HA LEU A 123 110.037 -11.943 -0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 123 107.828 -12.967 -2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 123 108.612 -11.404 -2.932 1.00 0.00 H new ATOM 0 HG LEU A 123 110.056 -14.086 -3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 123 110.241 -13.499 -5.572 1.00 0.00 H new ATOM 0 HD12 LEU A 123 108.537 -13.639 -5.078 1.00 0.00 H new ATOM 0 HD13 LEU A 123 109.274 -12.033 -5.287 1.00 0.00 H new ATOM 0 HD21 LEU A 123 111.950 -12.690 -3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 123 110.983 -11.222 -3.671 1.00 0.00 H new ATOM 0 HD23 LEU A 123 111.469 -12.242 -2.296 1.00 0.00 H new ATOM 1831 N ASP A 124 108.021 -10.613 -0.143 1.00 0.00 N ATOM 1832 CA ASP A 124 106.952 -9.922 0.572 1.00 0.00 C ATOM 1833 C ASP A 124 106.587 -8.626 -0.143 1.00 0.00 C ATOM 1834 O ASP A 124 107.467 -7.917 -0.633 1.00 0.00 O ATOM 1835 CB ASP A 124 107.396 -9.612 2.003 1.00 0.00 C ATOM 1836 CG ASP A 124 106.232 -9.027 2.796 1.00 0.00 C ATOM 1837 OD1 ASP A 124 105.437 -9.803 3.303 1.00 0.00 O ATOM 1838 OD2 ASP A 124 106.152 -7.814 2.883 1.00 0.00 O ATOM 0 H ASP A 124 108.773 -10.006 -0.469 1.00 0.00 H new ATOM 0 HA ASP A 124 106.076 -10.570 0.598 1.00 0.00 H new ATOM 0 HB2 ASP A 124 107.755 -10.521 2.486 1.00 0.00 H new ATOM 0 HB3 ASP A 124 108.228 -8.908 1.990 1.00 0.00 H new ATOM 1843 N PHE A 125 105.291 -8.328 -0.208 1.00 0.00 N ATOM 1844 CA PHE A 125 104.817 -7.104 -0.852 1.00 0.00 C ATOM 1845 C PHE A 125 104.012 -6.283 0.148 1.00 0.00 C ATOM 1846 O PHE A 125 103.102 -6.813 0.784 1.00 0.00 O ATOM 1847 CB PHE A 125 103.941 -7.450 -2.056 1.00 0.00 C ATOM 1848 CG PHE A 125 103.500 -6.243 -2.849 1.00 0.00 C ATOM 1849 CD1 PHE A 125 104.331 -5.715 -3.844 1.00 0.00 C ATOM 1850 CD2 PHE A 125 102.256 -5.653 -2.588 1.00 0.00 C ATOM 1851 CE1 PHE A 125 103.918 -4.596 -4.579 1.00 0.00 C ATOM 1852 CE2 PHE A 125 101.845 -4.534 -3.323 1.00 0.00 C ATOM 1853 CZ PHE A 125 102.676 -4.006 -4.319 1.00 0.00 C ATOM 0 H PHE A 125 104.551 -8.916 0.176 1.00 0.00 H new ATOM 0 HA PHE A 125 105.675 -6.525 -1.193 1.00 0.00 H new ATOM 0 HB2 PHE A 125 104.490 -8.125 -2.712 1.00 0.00 H new ATOM 0 HB3 PHE A 125 103.059 -7.989 -1.710 1.00 0.00 H new ATOM 0 HD1 PHE A 125 105.290 -6.170 -4.045 1.00 0.00 H new ATOM 0 HD2 PHE A 125 101.615 -6.061 -1.821 1.00 0.00 H new ATOM 0 HE1 PHE A 125 104.559 -4.188 -5.347 1.00 0.00 H new ATOM 0 HE2 PHE A 125 100.887 -4.078 -3.122 1.00 0.00 H new ATOM 0 HZ PHE A 125 102.358 -3.144 -4.886 1.00 0.00 H new ATOM 1863 N SER A 126 104.338 -4.998 0.288 1.00 0.00 N ATOM 1864 CA SER A 126 103.688 -4.173 1.303 1.00 0.00 C ATOM 1865 C SER A 126 103.394 -2.775 0.775 1.00 0.00 C ATOM 1866 O SER A 126 104.062 -2.295 -0.138 1.00 0.00 O ATOM 1867 CB SER A 126 104.585 -4.069 2.538 1.00 0.00 C ATOM 1868 OG SER A 126 103.888 -3.379 3.564 1.00 0.00 O ATOM 0 H SER A 126 105.035 -4.514 -0.278 1.00 0.00 H new ATOM 0 HA SER A 126 102.743 -4.648 1.567 1.00 0.00 H new ATOM 0 HB2 SER A 126 104.869 -5.064 2.881 1.00 0.00 H new ATOM 0 HB3 SER A 126 105.506 -3.542 2.290 1.00 0.00 H new ATOM 0 HG SER A 126 104.458 -3.311 4.358 1.00 0.00 H new ATOM 1874 N TYR A 127 102.382 -2.135 1.350 1.00 0.00 N ATOM 1875 CA TYR A 127 102.070 -0.746 1.027 1.00 0.00 C ATOM 1876 C TYR A 127 102.062 0.081 2.308 1.00 0.00 C ATOM 1877 O TYR A 127 101.630 -0.402 3.355 1.00 0.00 O ATOM 1878 CB TYR A 127 100.712 -0.663 0.322 1.00 0.00 C ATOM 1879 CG TYR A 127 99.534 -1.020 1.200 1.00 0.00 C ATOM 1880 CD1 TYR A 127 99.154 -2.359 1.353 1.00 0.00 C ATOM 1881 CD2 TYR A 127 98.824 -0.012 1.862 1.00 0.00 C ATOM 1882 CE1 TYR A 127 98.064 -2.691 2.166 1.00 0.00 C ATOM 1883 CE2 TYR A 127 97.733 -0.342 2.677 1.00 0.00 C ATOM 1884 CZ TYR A 127 97.354 -1.682 2.829 1.00 0.00 C ATOM 1885 OH TYR A 127 96.279 -2.007 3.631 1.00 0.00 O ATOM 0 H TYR A 127 101.763 -2.556 2.043 1.00 0.00 H new ATOM 0 HA TYR A 127 102.829 -0.348 0.353 1.00 0.00 H new ATOM 0 HB2 TYR A 127 100.574 0.349 -0.058 1.00 0.00 H new ATOM 0 HB3 TYR A 127 100.722 -1.329 -0.541 1.00 0.00 H new ATOM 0 HD1 TYR A 127 99.703 -3.137 0.843 1.00 0.00 H new ATOM 0 HD2 TYR A 127 99.117 1.021 1.745 1.00 0.00 H new ATOM 0 HE1 TYR A 127 97.771 -3.724 2.282 1.00 0.00 H new ATOM 0 HE2 TYR A 127 97.185 0.436 3.187 1.00 0.00 H new ATOM 0 HH TYR A 127 95.900 -1.190 4.017 1.00 0.00 H new ATOM 1895 N GLU A 128 102.549 1.316 2.221 1.00 0.00 N ATOM 1896 CA GLU A 128 102.634 2.185 3.389 1.00 0.00 C ATOM 1897 C GLU A 128 101.994 3.533 3.085 1.00 0.00 C ATOM 1898 O GLU A 128 102.049 4.015 1.953 1.00 0.00 O ATOM 1899 CB GLU A 128 104.100 2.395 3.780 1.00 0.00 C ATOM 1900 CG GLU A 128 104.738 1.047 4.133 1.00 0.00 C ATOM 1901 CD GLU A 128 106.183 1.210 4.614 1.00 0.00 C ATOM 1902 OE1 GLU A 128 106.737 2.293 4.488 1.00 0.00 O ATOM 1903 OE2 GLU A 128 106.724 0.232 5.107 1.00 0.00 O ATOM 0 H GLU A 128 102.890 1.736 1.356 1.00 0.00 H new ATOM 0 HA GLU A 128 102.103 1.712 4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 128 104.643 2.861 2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 128 104.166 3.074 4.630 1.00 0.00 H new ATOM 0 HG2 GLU A 128 104.149 0.559 4.910 1.00 0.00 H new ATOM 0 HG3 GLU A 128 104.717 0.395 3.260 1.00 0.00 H new ATOM 1910 N GLN A 129 101.387 4.140 4.099 1.00 0.00 N ATOM 1911 CA GLN A 129 100.718 5.423 3.926 1.00 0.00 C ATOM 1912 C GLN A 129 101.195 6.422 4.972 1.00 0.00 C ATOM 1913 O GLN A 129 101.346 6.087 6.149 1.00 0.00 O ATOM 1914 CB GLN A 129 99.205 5.240 4.048 1.00 0.00 C ATOM 1915 CG GLN A 129 98.499 6.557 3.709 1.00 0.00 C ATOM 1916 CD GLN A 129 96.981 6.396 3.767 1.00 0.00 C ATOM 1917 OE1 GLN A 129 96.464 5.287 3.913 1.00 0.00 O ATOM 1918 NE2 GLN A 129 96.225 7.456 3.660 1.00 0.00 N ATOM 0 H GLN A 129 101.345 3.765 5.047 1.00 0.00 H new ATOM 0 HA GLN A 129 100.961 5.808 2.936 1.00 0.00 H new ATOM 0 HB2 GLN A 129 98.868 4.452 3.375 1.00 0.00 H new ATOM 0 HB3 GLN A 129 98.947 4.927 5.060 1.00 0.00 H new ATOM 0 HG2 GLN A 129 98.813 7.332 4.408 1.00 0.00 H new ATOM 0 HG3 GLN A 129 98.795 6.887 2.713 1.00 0.00 H new ATOM 0 HE21 GLN A 129 96.650 8.375 3.539 1.00 0.00 H new ATOM 0 HE22 GLN A 129 95.210 7.364 3.697 1.00 0.00 H new ATOM 1927 N SER A 130 101.464 7.637 4.509 1.00 0.00 N ATOM 1928 CA SER A 130 101.742 8.763 5.389 1.00 0.00 C ATOM 1929 C SER A 130 100.477 9.604 5.493 1.00 0.00 C ATOM 1930 O SER A 130 99.842 9.862 4.463 1.00 0.00 O ATOM 1931 CB SER A 130 102.910 9.607 4.866 1.00 0.00 C ATOM 1932 OG SER A 130 102.452 10.506 3.860 1.00 0.00 O ATOM 0 H SER A 130 101.495 7.868 3.516 1.00 0.00 H new ATOM 0 HA SER A 130 102.033 8.394 6.372 1.00 0.00 H new ATOM 0 HB2 SER A 130 103.361 10.166 5.686 1.00 0.00 H new ATOM 0 HB3 SER A 130 103.685 8.957 4.459 1.00 0.00 H new ATOM 0 HG SER A 130 102.478 11.423 4.204 1.00 0.00 H new ATOM 1938 N ARG A 131 100.236 10.177 6.667 1.00 0.00 N ATOM 1939 CA ARG A 131 98.910 10.656 7.044 1.00 0.00 C ATOM 1940 C ARG A 131 98.756 12.098 6.592 1.00 0.00 C ATOM 1941 O ARG A 131 99.716 12.869 6.593 1.00 0.00 O ATOM 1942 CB ARG A 131 98.730 10.561 8.561 1.00 0.00 C ATOM 1943 CG ARG A 131 97.288 10.919 8.932 1.00 0.00 C ATOM 1944 CD ARG A 131 97.126 10.871 10.452 1.00 0.00 C ATOM 1945 NE ARG A 131 95.723 11.093 10.819 1.00 0.00 N ATOM 1946 CZ ARG A 131 94.814 10.110 10.896 1.00 0.00 C ATOM 1947 NH1 ARG A 131 95.113 8.858 10.641 1.00 0.00 N ATOM 1948 NH2 ARG A 131 93.590 10.409 11.234 1.00 0.00 N ATOM 0 H ARG A 131 100.950 10.322 7.381 1.00 0.00 H new ATOM 0 HA ARG A 131 98.150 10.040 6.564 1.00 0.00 H new ATOM 0 HB2 ARG A 131 98.964 9.553 8.902 1.00 0.00 H new ATOM 0 HB3 ARG A 131 99.423 11.236 9.062 1.00 0.00 H new ATOM 0 HG2 ARG A 131 97.042 11.914 8.561 1.00 0.00 H new ATOM 0 HG3 ARG A 131 96.596 10.222 8.460 1.00 0.00 H new ATOM 0 HD2 ARG A 131 97.460 9.905 10.830 1.00 0.00 H new ATOM 0 HD3 ARG A 131 97.756 11.630 10.916 1.00 0.00 H new ATOM 0 HE ARG A 131 95.423 12.046 11.027 1.00 0.00 H new ATOM 0 HH11 ARG A 131 96.064 8.605 10.374 1.00 0.00 H new ATOM 0 HH12 ARG A 131 94.394 8.138 10.710 1.00 0.00 H new ATOM 0 HH21 ARG A 131 93.338 11.377 11.434 1.00 0.00 H new ATOM 0 HH22 ARG A 131 92.885 9.675 11.298 1.00 0.00 H new ATOM 1962 N ILE A 132 97.536 12.455 6.205 1.00 0.00 N ATOM 1963 CA ILE A 132 97.351 13.395 5.109 1.00 0.00 C ATOM 1964 C ILE A 132 97.353 14.852 5.568 1.00 0.00 C ATOM 1965 O ILE A 132 96.363 15.395 6.058 1.00 0.00 O ATOM 1966 CB ILE A 132 96.024 13.086 4.389 1.00 0.00 C ATOM 1967 CG1 ILE A 132 96.014 11.630 3.910 1.00 0.00 C ATOM 1968 CG2 ILE A 132 95.845 13.998 3.169 1.00 0.00 C ATOM 1969 CD1 ILE A 132 94.622 11.268 3.388 1.00 0.00 C ATOM 0 H ILE A 132 96.673 12.113 6.628 1.00 0.00 H new ATOM 0 HA ILE A 132 98.197 13.271 4.433 1.00 0.00 H new ATOM 0 HB ILE A 132 95.211 13.256 5.095 1.00 0.00 H new ATOM 0 HG12 ILE A 132 96.755 11.491 3.123 1.00 0.00 H new ATOM 0 HG13 ILE A 132 96.290 10.966 4.729 1.00 0.00 H new ATOM 0 HG21 ILE A 132 94.902 13.764 2.675 1.00 0.00 H new ATOM 0 HG22 ILE A 132 95.837 15.039 3.491 1.00 0.00 H new ATOM 0 HG23 ILE A 132 96.669 13.840 2.473 1.00 0.00 H new ATOM 0 HD11 ILE A 132 94.619 10.232 3.048 1.00 0.00 H new ATOM 0 HD12 ILE A 132 93.891 11.390 4.187 1.00 0.00 H new ATOM 0 HD13 ILE A 132 94.364 11.923 2.556 1.00 0.00 H new ATOM 1981 N ARG A 133 98.525 15.443 5.378 1.00 0.00 N ATOM 1982 CA ARG A 133 98.695 16.882 5.253 1.00 0.00 C ATOM 1983 C ARG A 133 98.564 17.234 3.768 1.00 0.00 C ATOM 1984 O ARG A 133 98.284 16.359 2.939 1.00 0.00 O ATOM 1985 CB ARG A 133 100.070 17.305 5.773 1.00 0.00 C ATOM 1986 CG ARG A 133 100.177 16.973 7.263 1.00 0.00 C ATOM 1987 CD ARG A 133 101.512 17.484 7.806 1.00 0.00 C ATOM 1988 NE ARG A 133 101.721 17.001 9.174 1.00 0.00 N ATOM 1989 CZ ARG A 133 102.472 17.644 10.082 1.00 0.00 C ATOM 1990 NH1 ARG A 133 103.086 18.771 9.809 1.00 0.00 N ATOM 1991 NH2 ARG A 133 102.596 17.133 11.276 1.00 0.00 N ATOM 0 H ARG A 133 99.400 14.924 5.305 1.00 0.00 H new ATOM 0 HA ARG A 133 97.941 17.405 5.841 1.00 0.00 H new ATOM 0 HB2 ARG A 133 100.854 16.791 5.218 1.00 0.00 H new ATOM 0 HB3 ARG A 133 100.217 18.374 5.616 1.00 0.00 H new ATOM 0 HG2 ARG A 133 99.352 17.431 7.808 1.00 0.00 H new ATOM 0 HG3 ARG A 133 100.100 15.896 7.413 1.00 0.00 H new ATOM 0 HD2 ARG A 133 102.327 17.147 7.165 1.00 0.00 H new ATOM 0 HD3 ARG A 133 101.526 18.574 7.791 1.00 0.00 H new ATOM 0 HE ARG A 133 101.271 16.129 9.451 1.00 0.00 H new ATOM 0 HH11 ARG A 133 103.001 19.186 8.881 1.00 0.00 H new ATOM 0 HH12 ARG A 133 103.648 19.232 10.524 1.00 0.00 H new ATOM 0 HH21 ARG A 133 102.126 16.258 11.508 1.00 0.00 H new ATOM 0 HH22 ARG A 133 103.163 17.609 11.978 1.00 0.00 H new ATOM 2005 N SER A 134 98.748 18.505 3.413 1.00 0.00 N ATOM 2006 CA SER A 134 98.532 18.928 2.024 1.00 0.00 C ATOM 2007 C SER A 134 99.311 18.052 1.024 1.00 0.00 C ATOM 2008 O SER A 134 99.012 18.077 -0.170 1.00 0.00 O ATOM 2009 CB SER A 134 98.960 20.385 1.859 1.00 0.00 C ATOM 2010 OG SER A 134 98.638 20.818 0.545 1.00 0.00 O ATOM 0 H SER A 134 99.039 19.247 4.049 1.00 0.00 H new ATOM 0 HA SER A 134 97.469 18.817 1.808 1.00 0.00 H new ATOM 0 HB2 SER A 134 98.456 21.011 2.595 1.00 0.00 H new ATOM 0 HB3 SER A 134 100.031 20.485 2.036 1.00 0.00 H new ATOM 0 HG SER A 134 98.589 20.043 -0.052 1.00 0.00 H new ATOM 2016 N VAL A 135 100.298 17.284 1.493 1.00 0.00 N ATOM 2017 CA VAL A 135 100.936 16.259 0.663 1.00 0.00 C ATOM 2018 C VAL A 135 100.719 14.878 1.289 1.00 0.00 C ATOM 2019 O VAL A 135 100.952 14.687 2.482 1.00 0.00 O ATOM 2020 CB VAL A 135 102.439 16.540 0.535 1.00 0.00 C ATOM 2021 CG1 VAL A 135 103.077 15.518 -0.410 1.00 0.00 C ATOM 2022 CG2 VAL A 135 102.657 17.946 -0.031 1.00 0.00 C ATOM 0 H VAL A 135 100.672 17.352 2.440 1.00 0.00 H new ATOM 0 HA VAL A 135 100.488 16.280 -0.330 1.00 0.00 H new ATOM 0 HB VAL A 135 102.898 16.466 1.521 1.00 0.00 H new ATOM 0 HG11 VAL A 135 104.144 15.721 -0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 135 102.930 14.514 -0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 135 102.611 15.591 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 135 103.726 18.141 -0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 135 102.192 18.019 -1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 135 102.209 18.681 0.638 1.00 0.00 H new ATOM 2032 N ASP A 136 100.268 13.919 0.478 1.00 0.00 N ATOM 2033 CA ASP A 136 100.009 12.559 0.960 1.00 0.00 C ATOM 2034 C ASP A 136 100.963 11.569 0.296 1.00 0.00 C ATOM 2035 O ASP A 136 101.226 11.675 -0.902 1.00 0.00 O ATOM 2036 CB ASP A 136 98.566 12.162 0.642 1.00 0.00 C ATOM 2037 CG ASP A 136 98.249 10.785 1.219 1.00 0.00 C ATOM 2038 OD1 ASP A 136 98.817 10.441 2.243 1.00 0.00 O ATOM 2039 OD2 ASP A 136 97.438 10.091 0.626 1.00 0.00 O ATOM 0 H ASP A 136 100.075 14.058 -0.514 1.00 0.00 H new ATOM 0 HA ASP A 136 100.166 12.537 2.038 1.00 0.00 H new ATOM 0 HB2 ASP A 136 97.880 12.902 1.054 1.00 0.00 H new ATOM 0 HB3 ASP A 136 98.415 12.154 -0.437 1.00 0.00 H new ATOM 2044 N VAL A 137 101.483 10.605 1.063 1.00 0.00 N ATOM 2045 CA VAL A 137 102.500 9.689 0.520 1.00 0.00 C ATOM 2046 C VAL A 137 101.936 8.285 0.307 1.00 0.00 C ATOM 2047 O VAL A 137 101.228 7.752 1.161 1.00 0.00 O ATOM 2048 CB VAL A 137 103.724 9.606 1.442 1.00 0.00 C ATOM 2049 CG1 VAL A 137 104.833 8.814 0.749 1.00 0.00 C ATOM 2050 CG2 VAL A 137 104.249 11.012 1.756 1.00 0.00 C ATOM 0 H VAL A 137 101.228 10.438 2.036 1.00 0.00 H new ATOM 0 HA VAL A 137 102.805 10.096 -0.444 1.00 0.00 H new ATOM 0 HB VAL A 137 103.429 9.112 2.368 1.00 0.00 H new ATOM 0 HG11 VAL A 137 105.702 8.755 1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 137 104.477 7.808 0.527 1.00 0.00 H new ATOM 0 HG13 VAL A 137 105.111 9.313 -0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 137 105.117 10.938 2.411 1.00 0.00 H new ATOM 0 HG22 VAL A 137 104.535 11.509 0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 137 103.469 11.589 2.252 1.00 0.00 H new ATOM 2060 N GLY A 138 102.259 7.690 -0.843 1.00 0.00 N ATOM 2061 CA GLY A 138 101.927 6.292 -1.102 1.00 0.00 C ATOM 2062 C GLY A 138 103.193 5.532 -1.483 1.00 0.00 C ATOM 2063 O GLY A 138 103.888 5.931 -2.416 1.00 0.00 O ATOM 0 H GLY A 138 102.749 8.155 -1.607 1.00 0.00 H new ATOM 0 HA2 GLY A 138 101.474 5.845 -0.217 1.00 0.00 H new ATOM 0 HA3 GLY A 138 101.193 6.224 -1.905 1.00 0.00 H new ATOM 2067 N THR A 139 103.515 4.460 -0.755 1.00 0.00 N ATOM 2068 CA THR A 139 104.753 3.723 -1.009 1.00 0.00 C ATOM 2069 C THR A 139 104.481 2.239 -1.234 1.00 0.00 C ATOM 2070 O THR A 139 103.724 1.624 -0.485 1.00 0.00 O ATOM 2071 CB THR A 139 105.705 3.891 0.178 1.00 0.00 C ATOM 2072 OG1 THR A 139 105.872 5.276 0.453 1.00 0.00 O ATOM 2073 CG2 THR A 139 107.063 3.270 -0.158 1.00 0.00 C ATOM 0 H THR A 139 102.944 4.088 0.004 1.00 0.00 H new ATOM 0 HA THR A 139 105.207 4.128 -1.913 1.00 0.00 H new ATOM 0 HB THR A 139 105.288 3.391 1.052 1.00 0.00 H new ATOM 0 HG1 THR A 139 106.480 5.388 1.214 1.00 0.00 H new ATOM 0 HG21 THR A 139 107.738 3.391 0.689 1.00 0.00 H new ATOM 0 HG22 THR A 139 106.935 2.209 -0.371 1.00 0.00 H new ATOM 0 HG23 THR A 139 107.484 3.767 -1.032 1.00 0.00 H new ATOM 2081 N TRP A 140 105.100 1.672 -2.265 1.00 0.00 N ATOM 2082 CA TRP A 140 105.004 0.234 -2.520 1.00 0.00 C ATOM 2083 C TRP A 140 106.381 -0.400 -2.353 1.00 0.00 C ATOM 2084 O TRP A 140 107.362 0.123 -2.880 1.00 0.00 O ATOM 2085 CB TRP A 140 104.489 -0.015 -3.937 1.00 0.00 C ATOM 2086 CG TRP A 140 103.081 0.443 -4.146 1.00 0.00 C ATOM 2087 CD1 TRP A 140 101.979 -0.194 -3.684 1.00 0.00 C ATOM 2088 CD2 TRP A 140 102.602 1.623 -4.858 1.00 0.00 C ATOM 2089 NE1 TRP A 140 100.858 0.516 -4.067 1.00 0.00 N ATOM 2090 CE2 TRP A 140 101.188 1.645 -4.791 1.00 0.00 C ATOM 2091 CE3 TRP A 140 103.250 2.663 -5.546 1.00 0.00 C ATOM 2092 CZ2 TRP A 140 100.444 2.665 -5.389 1.00 0.00 C ATOM 2093 CZ3 TRP A 140 102.507 3.689 -6.145 1.00 0.00 C ATOM 2094 CH2 TRP A 140 101.108 3.693 -6.068 1.00 0.00 C ATOM 0 H TRP A 140 105.673 2.183 -2.937 1.00 0.00 H new ATOM 0 HA TRP A 140 104.307 -0.212 -1.810 1.00 0.00 H new ATOM 0 HB2 TRP A 140 105.139 0.497 -4.647 1.00 0.00 H new ATOM 0 HB3 TRP A 140 104.553 -1.081 -4.157 1.00 0.00 H new ATOM 0 HD1 TRP A 140 101.977 -1.109 -3.109 1.00 0.00 H new ATOM 0 HE1 TRP A 140 99.902 0.240 -3.842 1.00 0.00 H new ATOM 0 HE3 TRP A 140 104.328 2.672 -5.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 99.366 2.660 -5.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 103.017 4.483 -6.670 1.00 0.00 H new ATOM 0 HH2 TRP A 140 100.543 4.488 -6.532 1.00 0.00 H new ATOM 2105 N ILE A 141 106.456 -1.513 -1.624 1.00 0.00 N ATOM 2106 CA ILE A 141 107.746 -2.123 -1.297 1.00 0.00 C ATOM 2107 C ILE A 141 107.781 -3.573 -1.762 1.00 0.00 C ATOM 2108 O ILE A 141 106.830 -4.323 -1.540 1.00 0.00 O ATOM 2109 CB ILE A 141 107.979 -2.070 0.221 1.00 0.00 C ATOM 2110 CG1 ILE A 141 107.879 -0.625 0.720 1.00 0.00 C ATOM 2111 CG2 ILE A 141 109.371 -2.611 0.558 1.00 0.00 C ATOM 2112 CD1 ILE A 141 107.867 -0.608 2.250 1.00 0.00 C ATOM 0 H ILE A 141 105.646 -2.008 -1.251 1.00 0.00 H new ATOM 0 HA ILE A 141 108.532 -1.566 -1.808 1.00 0.00 H new ATOM 0 HB ILE A 141 107.218 -2.681 0.707 1.00 0.00 H new ATOM 0 HG12 ILE A 141 108.721 -0.042 0.347 1.00 0.00 H new ATOM 0 HG13 ILE A 141 106.972 -0.159 0.334 1.00 0.00 H new ATOM 0 HG21 ILE A 141 109.526 -2.569 1.636 1.00 0.00 H new ATOM 0 HG22 ILE A 141 109.452 -3.644 0.220 1.00 0.00 H new ATOM 0 HG23 ILE A 141 110.127 -2.006 0.059 1.00 0.00 H new ATOM 0 HD11 ILE A 141 107.796 0.421 2.602 1.00 0.00 H new ATOM 0 HD12 ILE A 141 107.011 -1.176 2.613 1.00 0.00 H new ATOM 0 HD13 ILE A 141 108.786 -1.057 2.626 1.00 0.00 H new ATOM 2124 N ALA A 142 108.886 -3.963 -2.396 1.00 0.00 N ATOM 2125 CA ALA A 142 109.100 -5.360 -2.770 1.00 0.00 C ATOM 2126 C ALA A 142 110.430 -5.833 -2.196 1.00 0.00 C ATOM 2127 O ALA A 142 111.466 -5.226 -2.460 1.00 0.00 O ATOM 2128 CB ALA A 142 109.115 -5.498 -4.293 1.00 0.00 C ATOM 0 H ALA A 142 109.644 -3.334 -2.661 1.00 0.00 H new ATOM 0 HA ALA A 142 108.290 -5.970 -2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 142 109.275 -6.542 -4.562 1.00 0.00 H new ATOM 0 HB2 ALA A 142 108.161 -5.161 -4.698 1.00 0.00 H new ATOM 0 HB3 ALA A 142 109.920 -4.890 -4.706 1.00 0.00 H new ATOM 2134 N GLY A 143 110.399 -6.902 -1.402 1.00 0.00 N ATOM 2135 CA GLY A 143 111.609 -7.377 -0.733 1.00 0.00 C ATOM 2136 C GLY A 143 111.782 -8.884 -0.878 1.00 0.00 C ATOM 2137 O GLY A 143 110.806 -9.621 -1.015 1.00 0.00 O ATOM 0 H GLY A 143 109.561 -7.450 -1.208 1.00 0.00 H new ATOM 0 HA2 GLY A 143 112.478 -6.870 -1.151 1.00 0.00 H new ATOM 0 HA3 GLY A 143 111.566 -7.116 0.324 1.00 0.00 H new ATOM 2141 N VAL A 144 113.034 -9.326 -0.822 1.00 0.00 N ATOM 2142 CA VAL A 144 113.365 -10.742 -0.940 1.00 0.00 C ATOM 2143 C VAL A 144 114.315 -11.135 0.191 1.00 0.00 C ATOM 2144 O VAL A 144 115.196 -10.352 0.551 1.00 0.00 O ATOM 2145 CB VAL A 144 114.006 -10.995 -2.309 1.00 0.00 C ATOM 2146 CG1 VAL A 144 115.288 -10.168 -2.449 1.00 0.00 C ATOM 2147 CG2 VAL A 144 114.340 -12.480 -2.465 1.00 0.00 C ATOM 0 H VAL A 144 113.843 -8.718 -0.694 1.00 0.00 H new ATOM 0 HA VAL A 144 112.464 -11.350 -0.860 1.00 0.00 H new ATOM 0 HB VAL A 144 113.300 -10.700 -3.085 1.00 0.00 H new ATOM 0 HG11 VAL A 144 115.736 -10.354 -3.425 1.00 0.00 H new ATOM 0 HG12 VAL A 144 115.050 -9.109 -2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 144 115.991 -10.452 -1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 144 114.795 -12.650 -3.441 1.00 0.00 H new ATOM 0 HG22 VAL A 144 115.037 -12.780 -1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 144 113.426 -13.069 -2.383 1.00 0.00 H new ATOM 2157 N GLY A 145 114.121 -12.321 0.767 1.00 0.00 N ATOM 2158 CA GLY A 145 114.925 -12.724 1.917 1.00 0.00 C ATOM 2159 C GLY A 145 115.019 -14.240 2.067 1.00 0.00 C ATOM 2160 O GLY A 145 114.403 -14.998 1.312 1.00 0.00 O ATOM 0 H GLY A 145 113.429 -13.006 0.463 1.00 0.00 H new ATOM 0 HA2 GLY A 145 115.928 -12.310 1.817 1.00 0.00 H new ATOM 0 HA3 GLY A 145 114.494 -12.299 2.824 1.00 0.00 H new ATOM 2164 N TYR A 146 115.781 -14.651 3.084 1.00 0.00 N ATOM 2165 CA TYR A 146 115.984 -16.061 3.394 1.00 0.00 C ATOM 2166 C TYR A 146 115.762 -16.309 4.885 1.00 0.00 C ATOM 2167 O TYR A 146 115.767 -15.368 5.679 1.00 0.00 O ATOM 2168 CB TYR A 146 117.405 -16.488 2.998 1.00 0.00 C ATOM 2169 CG TYR A 146 118.500 -15.861 3.835 1.00 0.00 C ATOM 2170 CD1 TYR A 146 119.009 -14.603 3.495 1.00 0.00 C ATOM 2171 CD2 TYR A 146 119.001 -16.539 4.954 1.00 0.00 C ATOM 2172 CE1 TYR A 146 120.019 -14.022 4.270 1.00 0.00 C ATOM 2173 CE2 TYR A 146 120.011 -15.959 5.730 1.00 0.00 C ATOM 2174 CZ TYR A 146 120.521 -14.700 5.388 1.00 0.00 C ATOM 2175 OH TYR A 146 121.516 -14.127 6.152 1.00 0.00 O ATOM 0 H TYR A 146 116.272 -14.014 3.712 1.00 0.00 H new ATOM 0 HA TYR A 146 115.265 -16.652 2.827 1.00 0.00 H new ATOM 0 HB2 TYR A 146 117.481 -17.573 3.075 1.00 0.00 H new ATOM 0 HB3 TYR A 146 117.571 -16.231 1.952 1.00 0.00 H new ATOM 0 HD1 TYR A 146 118.622 -14.080 2.633 1.00 0.00 H new ATOM 0 HD2 TYR A 146 118.608 -17.510 5.218 1.00 0.00 H new ATOM 0 HE1 TYR A 146 120.411 -13.051 4.006 1.00 0.00 H new ATOM 0 HE2 TYR A 146 120.397 -16.482 6.592 1.00 0.00 H new ATOM 0 HH TYR A 146 121.749 -14.728 6.890 1.00 0.00 H new ATOM 2185 N ARG A 147 115.611 -17.577 5.259 1.00 0.00 N ATOM 2186 CA ARG A 147 115.364 -17.948 6.651 1.00 0.00 C ATOM 2187 C ARG A 147 116.499 -18.820 7.180 1.00 0.00 C ATOM 2188 O ARG A 147 117.118 -19.571 6.425 1.00 0.00 O ATOM 2189 CB ARG A 147 114.046 -18.716 6.759 1.00 0.00 C ATOM 2190 CG ARG A 147 112.885 -17.805 6.352 1.00 0.00 C ATOM 2191 CD ARG A 147 111.556 -18.531 6.582 1.00 0.00 C ATOM 2192 NE ARG A 147 111.528 -19.793 5.834 1.00 0.00 N ATOM 2193 CZ ARG A 147 110.803 -20.857 6.208 1.00 0.00 C ATOM 2194 NH1 ARG A 147 110.050 -20.850 7.281 1.00 0.00 N ATOM 2195 NH2 ARG A 147 110.846 -21.937 5.474 1.00 0.00 N ATOM 0 H ARG A 147 115.655 -18.367 4.616 1.00 0.00 H new ATOM 0 HA ARG A 147 115.307 -17.036 7.246 1.00 0.00 H new ATOM 0 HB2 ARG A 147 114.073 -19.596 6.117 1.00 0.00 H new ATOM 0 HB3 ARG A 147 113.903 -19.070 7.780 1.00 0.00 H new ATOM 0 HG2 ARG A 147 112.912 -16.883 6.933 1.00 0.00 H new ATOM 0 HG3 ARG A 147 112.981 -17.524 5.303 1.00 0.00 H new ATOM 0 HD2 ARG A 147 111.421 -18.728 7.646 1.00 0.00 H new ATOM 0 HD3 ARG A 147 110.728 -17.896 6.268 1.00 0.00 H new ATOM 0 HE ARG A 147 112.089 -19.865 4.985 1.00 0.00 H new ATOM 0 HH11 ARG A 147 110.001 -20.015 7.864 1.00 0.00 H new ATOM 0 HH12 ARG A 147 109.513 -21.680 7.533 1.00 0.00 H new ATOM 0 HH21 ARG A 147 111.424 -21.960 4.634 1.00 0.00 H new ATOM 0 HH22 ARG A 147 110.302 -22.757 5.741 1.00 0.00 H new ATOM 2209 N PHE A 148 116.772 -18.716 8.479 1.00 0.00 N ATOM 2210 CA PHE A 148 117.854 -19.483 9.085 1.00 0.00 C ATOM 2211 C PHE A 148 119.178 -19.182 8.393 1.00 0.00 C ATOM 2212 O PHE A 148 119.439 -19.788 7.369 1.00 0.00 O ATOM 2213 CB PHE A 148 117.554 -20.980 8.988 1.00 0.00 C ATOM 2214 CG PHE A 148 118.572 -21.842 9.696 1.00 0.00 C ATOM 2215 CD1 PHE A 148 119.698 -22.306 9.004 1.00 0.00 C ATOM 2216 CD2 PHE A 148 118.393 -22.178 11.044 1.00 0.00 C ATOM 2217 CE1 PHE A 148 120.643 -23.105 9.660 1.00 0.00 C ATOM 2218 CE2 PHE A 148 119.338 -22.976 11.700 1.00 0.00 C ATOM 2219 CZ PHE A 148 120.463 -23.439 11.007 1.00 0.00 C ATOM 2220 OXT PHE A 148 119.912 -18.349 8.900 1.00 0.00 O ATOM 0 H PHE A 148 116.263 -18.113 9.126 1.00 0.00 H new ATOM 0 HA PHE A 148 117.932 -19.196 10.134 1.00 0.00 H new ATOM 0 HB2 PHE A 148 116.568 -21.174 9.410 1.00 0.00 H new ATOM 0 HB3 PHE A 148 117.513 -21.268 7.937 1.00 0.00 H new ATOM 0 HD1 PHE A 148 119.837 -22.048 7.965 1.00 0.00 H new ATOM 0 HD2 PHE A 148 117.525 -21.821 11.578 1.00 0.00 H new ATOM 0 HE1 PHE A 148 121.511 -23.463 9.126 1.00 0.00 H new ATOM 0 HE2 PHE A 148 119.199 -23.234 12.739 1.00 0.00 H new ATOM 0 HZ PHE A 148 121.193 -24.054 11.512 1.00 0.00 H new TER 2230 PHE A 148