USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 686 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 39 SER OG : rot 43:sc= 0.339 USER MOD Set 1.2: A 42 GLN : amide:sc= -2.43! C(o=-2.1!,f=-8.3!) USER MOD Set 2.1: A 29 SER OG : rot 180:sc= 0.811 USER MOD Set 2.2: A 32 CYS SG : rot 82:sc= 0.916 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -140:sc= 0.0601 (180deg=-0.137) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 7 HIS : no HE2:sc= 0.251 K(o=0.25,f=-1.4) USER MOD Single : A 8 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.09) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0.462 K(o=0.46,f=-2.4!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 43:sc= 0.0566 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0256) USER MOD Single : A 22 LYS NZ :NH3+ -162:sc= -0.085 (180deg=-0.421) USER MOD Single : A 23 SER OG : rot 32:sc= 0.659 USER MOD Single : A 27 SER OG : rot 50:sc= 0.247 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.427 USER MOD Single : A 35 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0355) USER MOD Single : A 38 LYS NZ :NH3+ 176:sc= 2.17 (180deg=2.06) USER MOD Single : A 40 GLN : amide:sc= -0.576 K(o=-0.58,f=-0.055) USER MOD Single : A 45 THR OG1 : rot -55:sc= -1.09! USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 52 GLN : amide:sc= -0.845 K(o=-0.84,f=-2.7!) USER MOD Single : A 53 LYS NZ :NH3+ 164:sc= 1.41 (180deg=1.34) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 65 SER OG : rot -33:sc= 1.01 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.687 USER MOD Single : A 68 LYS NZ :NH3+ 169:sc= -0.0129 (180deg=-0.164) USER MOD Single : A 69 GLN : amide:sc= -1.22 K(o=-1.2,f=0) USER MOD Single : A 70 SER OG : rot 80:sc= 0.428 USER MOD Single : A 74 SER OG : rot 40:sc= 0.159 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -164:sc= -0.0945 (180deg=-0.47) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.0901 X(o=-0.09,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.335 -9.675 -23.867 1.00 53.13 N ATOM 2 CA MET A 1 -19.949 -10.904 -23.285 1.00 54.43 C ATOM 3 C MET A 1 -18.873 -11.817 -22.671 1.00 55.43 C ATOM 4 O MET A 1 -17.724 -11.404 -22.496 1.00 32.05 O ATOM 5 CB MET A 1 -20.732 -11.669 -24.365 1.00 45.21 C ATOM 6 CG MET A 1 -21.894 -10.885 -24.958 1.00 12.21 C ATOM 7 SD MET A 1 -22.809 -11.829 -26.195 1.00 34.24 S ATOM 8 CE MET A 1 -24.021 -10.617 -26.722 1.00 60.43 C ATOM 0 H1 MET A 1 -19.938 -8.854 -23.658 1.00 53.13 H new ATOM 0 H2 MET A 1 -18.393 -9.528 -23.452 1.00 53.13 H new ATOM 0 H3 MET A 1 -19.246 -9.786 -24.897 1.00 53.13 H new ATOM 0 HA MET A 1 -20.635 -10.600 -22.494 1.00 54.43 H new ATOM 0 HB2 MET A 1 -20.048 -11.947 -25.167 1.00 45.21 H new ATOM 0 HB3 MET A 1 -21.113 -12.595 -23.935 1.00 45.21 H new ATOM 0 HG2 MET A 1 -22.572 -10.588 -24.158 1.00 12.21 H new ATOM 0 HG3 MET A 1 -21.515 -9.969 -25.412 1.00 12.21 H new ATOM 0 HE1 MET A 1 -24.663 -11.053 -27.488 1.00 60.43 H new ATOM 0 HE2 MET A 1 -24.628 -10.315 -25.869 1.00 60.43 H new ATOM 0 HE3 MET A 1 -23.510 -9.745 -27.131 1.00 60.43 H new ATOM 20 N GLY A 2 -19.257 -13.048 -22.318 1.00 52.33 N ATOM 21 CA GLY A 2 -18.299 -14.028 -21.808 1.00 22.41 C ATOM 22 C GLY A 2 -18.213 -14.067 -20.285 1.00 72.43 C ATOM 23 O GLY A 2 -17.747 -13.116 -19.656 1.00 1.51 O ATOM 0 H GLY A 2 -20.218 -13.386 -22.376 1.00 52.33 H new ATOM 0 HA2 GLY A 2 -18.576 -15.017 -22.173 1.00 22.41 H new ATOM 0 HA3 GLY A 2 -17.312 -13.803 -22.213 1.00 22.41 H new ATOM 27 N HIS A 3 -18.665 -15.169 -19.687 1.00 51.51 N ATOM 28 CA HIS A 3 -18.581 -15.353 -18.234 1.00 30.21 C ATOM 29 C HIS A 3 -17.122 -15.549 -17.779 1.00 15.55 C ATOM 30 O HIS A 3 -16.437 -16.464 -18.236 1.00 14.14 O ATOM 31 CB HIS A 3 -19.429 -16.556 -17.798 1.00 20.33 C ATOM 32 CG HIS A 3 -19.354 -16.837 -16.325 1.00 11.40 C ATOM 33 ND1 HIS A 3 -18.584 -17.846 -15.787 1.00 11.50 N ATOM 34 CD2 HIS A 3 -19.951 -16.228 -15.272 1.00 72.23 C ATOM 35 CE1 HIS A 3 -18.710 -17.845 -14.476 1.00 10.31 C ATOM 36 NE2 HIS A 3 -19.531 -16.874 -14.138 1.00 54.20 N ATOM 0 H HIS A 3 -19.094 -15.949 -20.184 1.00 51.51 H new ATOM 0 HA HIS A 3 -18.969 -14.450 -17.762 1.00 30.21 H new ATOM 0 HB2 HIS A 3 -20.468 -16.377 -18.074 1.00 20.33 H new ATOM 0 HB3 HIS A 3 -19.101 -17.440 -18.346 1.00 20.33 H new ATOM 0 HD2 HIS A 3 -20.631 -15.390 -15.318 1.00 72.23 H new ATOM 0 HE1 HIS A 3 -18.222 -18.526 -13.794 1.00 10.31 H new ATOM 0 HE2 HIS A 3 -19.810 -16.640 -13.185 1.00 54.20 H new ATOM 45 N HIS A 4 -16.658 -14.691 -16.875 1.00 61.24 N ATOM 46 CA HIS A 4 -15.288 -14.772 -16.351 1.00 72.15 C ATOM 47 C HIS A 4 -15.269 -15.334 -14.914 1.00 0.11 C ATOM 48 O HIS A 4 -16.317 -15.625 -14.337 1.00 64.42 O ATOM 49 CB HIS A 4 -14.633 -13.386 -16.388 1.00 10.33 C ATOM 50 CG HIS A 4 -14.503 -12.816 -17.768 1.00 24.44 C ATOM 51 ND1 HIS A 4 -15.296 -11.794 -18.243 1.00 11.01 N ATOM 52 CD2 HIS A 4 -13.653 -13.124 -18.779 1.00 32.35 C ATOM 53 CE1 HIS A 4 -14.944 -11.500 -19.478 1.00 1.24 C ATOM 54 NE2 HIS A 4 -13.951 -12.289 -19.824 1.00 43.34 N ATOM 0 H HIS A 4 -17.209 -13.927 -16.485 1.00 61.24 H new ATOM 0 HA HIS A 4 -14.721 -15.455 -16.983 1.00 72.15 H new ATOM 0 HB2 HIS A 4 -15.219 -12.701 -15.776 1.00 10.33 H new ATOM 0 HB3 HIS A 4 -13.643 -13.450 -15.936 1.00 10.33 H new ATOM 0 HD2 HIS A 4 -12.886 -13.884 -18.763 1.00 32.35 H new ATOM 0 HE1 HIS A 4 -15.394 -10.741 -20.100 1.00 1.24 H new ATOM 0 HE2 HIS A 4 -13.477 -12.281 -20.727 1.00 43.34 H new ATOM 63 N HIS A 5 -14.072 -15.468 -14.335 1.00 13.24 N ATOM 64 CA HIS A 5 -13.921 -16.021 -12.977 1.00 33.25 C ATOM 65 C HIS A 5 -13.017 -15.134 -12.101 1.00 35.13 C ATOM 66 O HIS A 5 -11.943 -14.702 -12.524 1.00 15.31 O ATOM 67 CB HIS A 5 -13.377 -17.458 -13.032 1.00 72.13 C ATOM 68 CG HIS A 5 -12.079 -17.603 -13.770 1.00 52.34 C ATOM 69 ND1 HIS A 5 -12.011 -17.926 -15.106 1.00 12.24 N ATOM 70 CD2 HIS A 5 -10.795 -17.480 -13.353 1.00 54.40 C ATOM 71 CE1 HIS A 5 -10.750 -17.995 -15.480 1.00 31.13 C ATOM 72 NE2 HIS A 5 -9.990 -17.727 -14.438 1.00 3.04 N ATOM 0 H HIS A 5 -13.193 -15.203 -14.780 1.00 13.24 H new ATOM 0 HA HIS A 5 -14.910 -16.041 -12.519 1.00 33.25 H new ATOM 0 HB2 HIS A 5 -13.244 -17.822 -12.013 1.00 72.13 H new ATOM 0 HB3 HIS A 5 -14.123 -18.098 -13.504 1.00 72.13 H new ATOM 0 HD2 HIS A 5 -10.466 -17.234 -12.354 1.00 54.40 H new ATOM 0 HE1 HIS A 5 -10.398 -18.231 -16.473 1.00 31.13 H new ATOM 0 HE2 HIS A 5 -8.970 -17.706 -14.437 1.00 3.04 H new ATOM 81 N HIS A 6 -13.451 -14.890 -10.868 1.00 63.31 N ATOM 82 CA HIS A 6 -12.760 -13.967 -9.957 1.00 53.14 C ATOM 83 C HIS A 6 -11.508 -14.604 -9.326 1.00 63.52 C ATOM 84 O HIS A 6 -11.527 -15.762 -8.912 1.00 73.05 O ATOM 85 CB HIS A 6 -13.723 -13.508 -8.856 1.00 11.44 C ATOM 86 CG HIS A 6 -15.012 -12.960 -9.386 1.00 43.42 C ATOM 87 ND1 HIS A 6 -16.157 -13.720 -9.503 1.00 42.34 N ATOM 88 CD2 HIS A 6 -15.340 -11.724 -9.831 1.00 74.23 C ATOM 89 CE1 HIS A 6 -17.128 -12.980 -9.996 1.00 32.33 C ATOM 90 NE2 HIS A 6 -16.662 -11.765 -10.204 1.00 41.02 N ATOM 0 H HIS A 6 -14.285 -15.320 -10.469 1.00 63.31 H new ATOM 0 HA HIS A 6 -12.430 -13.110 -10.544 1.00 53.14 H new ATOM 0 HB2 HIS A 6 -13.938 -14.349 -8.197 1.00 11.44 H new ATOM 0 HB3 HIS A 6 -13.234 -12.745 -8.250 1.00 11.44 H new ATOM 0 HD2 HIS A 6 -14.685 -10.867 -9.883 1.00 74.23 H new ATOM 0 HE1 HIS A 6 -18.136 -13.312 -10.196 1.00 32.33 H new ATOM 0 HE2 HIS A 6 -17.196 -10.982 -10.581 1.00 41.02 H new ATOM 99 N HIS A 7 -10.428 -13.829 -9.259 1.00 14.20 N ATOM 100 CA HIS A 7 -9.162 -14.280 -8.662 1.00 1.34 C ATOM 101 C HIS A 7 -8.270 -13.081 -8.306 1.00 44.54 C ATOM 102 O HIS A 7 -8.418 -12.002 -8.881 1.00 71.11 O ATOM 103 CB HIS A 7 -8.410 -15.205 -9.634 1.00 51.24 C ATOM 104 CG HIS A 7 -8.038 -14.547 -10.932 1.00 74.32 C ATOM 105 ND1 HIS A 7 -6.848 -13.876 -11.129 1.00 23.10 N ATOM 106 CD2 HIS A 7 -8.709 -14.457 -12.107 1.00 22.42 C ATOM 107 CE1 HIS A 7 -6.807 -13.405 -12.359 1.00 74.13 C ATOM 108 NE2 HIS A 7 -7.920 -13.741 -12.975 1.00 11.44 N ATOM 0 H HIS A 7 -10.400 -12.873 -9.614 1.00 14.20 H new ATOM 0 HA HIS A 7 -9.398 -14.829 -7.751 1.00 1.34 H new ATOM 0 HB2 HIS A 7 -7.504 -15.567 -9.148 1.00 51.24 H new ATOM 0 HB3 HIS A 7 -9.030 -16.077 -9.844 1.00 51.24 H new ATOM 0 HD1 HIS A 7 -6.114 -13.762 -10.430 1.00 23.10 H new ATOM 0 HD2 HIS A 7 -9.683 -14.871 -12.321 1.00 22.42 H new ATOM 0 HE1 HIS A 7 -5.995 -12.838 -12.790 1.00 74.13 H new ATOM 117 N HIS A 8 -7.349 -13.266 -7.364 1.00 72.34 N ATOM 118 CA HIS A 8 -6.382 -12.217 -7.036 1.00 71.51 C ATOM 119 C HIS A 8 -5.488 -11.896 -8.245 1.00 11.33 C ATOM 120 O HIS A 8 -5.045 -12.799 -8.957 1.00 70.13 O ATOM 121 CB HIS A 8 -5.537 -12.609 -5.811 1.00 42.33 C ATOM 122 CG HIS A 8 -4.950 -13.992 -5.862 1.00 61.33 C ATOM 123 ND1 HIS A 8 -5.322 -14.993 -4.989 1.00 50.43 N ATOM 124 CD2 HIS A 8 -3.997 -14.536 -6.659 1.00 1.31 C ATOM 125 CE1 HIS A 8 -4.626 -16.083 -5.243 1.00 54.14 C ATOM 126 NE2 HIS A 8 -3.817 -15.833 -6.250 1.00 43.54 N ATOM 0 H HIS A 8 -7.250 -14.122 -6.818 1.00 72.34 H new ATOM 0 HA HIS A 8 -6.938 -11.315 -6.782 1.00 71.51 H new ATOM 0 HB2 HIS A 8 -4.725 -11.890 -5.703 1.00 42.33 H new ATOM 0 HB3 HIS A 8 -6.157 -12.526 -4.919 1.00 42.33 H new ATOM 0 HD2 HIS A 8 -3.477 -14.040 -7.465 1.00 1.31 H new ATOM 0 HE1 HIS A 8 -4.706 -17.021 -4.715 1.00 54.14 H new ATOM 0 HE2 HIS A 8 -3.161 -16.497 -6.661 1.00 43.54 H new ATOM 135 N SER A 9 -5.251 -10.609 -8.485 1.00 73.13 N ATOM 136 CA SER A 9 -4.474 -10.165 -9.653 1.00 25.21 C ATOM 137 C SER A 9 -3.181 -9.455 -9.224 1.00 34.51 C ATOM 138 O SER A 9 -3.203 -8.286 -8.826 1.00 74.20 O ATOM 139 CB SER A 9 -5.319 -9.228 -10.531 1.00 70.10 C ATOM 140 OG SER A 9 -6.539 -9.842 -10.930 1.00 54.51 O ATOM 0 H SER A 9 -5.583 -9.850 -7.890 1.00 73.13 H new ATOM 0 HA SER A 9 -4.203 -11.049 -10.229 1.00 25.21 H new ATOM 0 HB2 SER A 9 -5.535 -8.311 -9.983 1.00 70.10 H new ATOM 0 HB3 SER A 9 -4.748 -8.944 -11.415 1.00 70.10 H new ATOM 0 HG SER A 9 -7.053 -9.219 -11.485 1.00 54.51 H new ATOM 146 N HIS A 10 -2.057 -10.168 -9.298 1.00 13.52 N ATOM 147 CA HIS A 10 -0.758 -9.621 -8.889 1.00 62.40 C ATOM 148 C HIS A 10 -0.226 -8.595 -9.908 1.00 45.23 C ATOM 149 O HIS A 10 0.410 -8.955 -10.901 1.00 73.23 O ATOM 150 CB HIS A 10 0.259 -10.757 -8.708 1.00 61.40 C ATOM 151 CG HIS A 10 1.592 -10.297 -8.194 1.00 61.21 C ATOM 152 ND1 HIS A 10 2.713 -10.200 -8.989 1.00 42.40 N ATOM 153 CD2 HIS A 10 1.980 -9.901 -6.959 1.00 24.34 C ATOM 154 CE1 HIS A 10 3.728 -9.767 -8.270 1.00 24.23 C ATOM 155 NE2 HIS A 10 3.311 -9.578 -7.035 1.00 50.13 N ATOM 0 H HIS A 10 -2.017 -11.129 -9.638 1.00 13.52 H new ATOM 0 HA HIS A 10 -0.900 -9.105 -7.939 1.00 62.40 H new ATOM 0 HB2 HIS A 10 -0.152 -11.494 -8.018 1.00 61.40 H new ATOM 0 HB3 HIS A 10 0.402 -11.260 -9.664 1.00 61.40 H new ATOM 0 HD2 HIS A 10 1.358 -9.849 -6.078 1.00 24.34 H new ATOM 0 HE1 HIS A 10 4.731 -9.596 -8.631 1.00 24.23 H new ATOM 0 HE2 HIS A 10 3.885 -9.245 -6.260 1.00 50.13 H new ATOM 164 N SER A 11 -0.496 -7.317 -9.654 1.00 41.22 N ATOM 165 CA SER A 11 -0.042 -6.231 -10.536 1.00 73.50 C ATOM 166 C SER A 11 0.445 -5.020 -9.726 1.00 34.12 C ATOM 167 O SER A 11 0.492 -5.058 -8.495 1.00 65.50 O ATOM 168 CB SER A 11 -1.172 -5.808 -11.489 1.00 73.35 C ATOM 169 OG SER A 11 -2.328 -5.390 -10.773 1.00 3.21 O ATOM 0 H SER A 11 -1.028 -7.002 -8.843 1.00 41.22 H new ATOM 0 HA SER A 11 0.797 -6.606 -11.122 1.00 73.50 H new ATOM 0 HB2 SER A 11 -0.825 -4.996 -12.129 1.00 73.35 H new ATOM 0 HB3 SER A 11 -1.429 -6.641 -12.143 1.00 73.35 H new ATOM 0 HG SER A 11 -3.027 -5.126 -11.407 1.00 3.21 H new ATOM 175 N THR A 12 0.816 -3.949 -10.428 1.00 13.12 N ATOM 176 CA THR A 12 1.306 -2.721 -9.787 1.00 53.43 C ATOM 177 C THR A 12 0.156 -1.768 -9.423 1.00 54.02 C ATOM 178 O THR A 12 -0.669 -1.412 -10.270 1.00 4.33 O ATOM 179 CB THR A 12 2.316 -1.973 -10.694 1.00 1.14 C ATOM 180 OG1 THR A 12 1.748 -1.756 -11.998 1.00 4.41 O ATOM 181 CG2 THR A 12 3.621 -2.757 -10.827 1.00 20.13 C ATOM 0 H THR A 12 0.787 -3.904 -11.447 1.00 13.12 H new ATOM 0 HA THR A 12 1.808 -3.032 -8.871 1.00 53.43 H new ATOM 0 HB THR A 12 2.535 -1.012 -10.229 1.00 1.14 H new ATOM 0 HG1 THR A 12 0.817 -1.465 -11.905 1.00 4.41 H new ATOM 0 HG21 THR A 12 4.311 -2.209 -11.469 1.00 20.13 H new ATOM 0 HG22 THR A 12 4.068 -2.889 -9.842 1.00 20.13 H new ATOM 0 HG23 THR A 12 3.416 -3.734 -11.266 1.00 20.13 H new ATOM 189 N ILE A 13 0.117 -1.351 -8.161 1.00 30.50 N ATOM 190 CA ILE A 13 -0.945 -0.477 -7.651 1.00 74.32 C ATOM 191 C ILE A 13 -0.586 1.013 -7.801 1.00 40.51 C ATOM 192 O ILE A 13 0.536 1.432 -7.505 1.00 74.24 O ATOM 193 CB ILE A 13 -1.253 -0.788 -6.161 1.00 5.43 C ATOM 194 CG1 ILE A 13 0.008 -0.605 -5.292 1.00 4.41 C ATOM 195 CG2 ILE A 13 -1.811 -2.205 -6.014 1.00 34.13 C ATOM 196 CD1 ILE A 13 -0.213 -0.875 -3.816 1.00 0.54 C ATOM 0 H ILE A 13 0.815 -1.606 -7.463 1.00 30.50 H new ATOM 0 HA ILE A 13 -1.832 -0.677 -8.252 1.00 74.32 H new ATOM 0 HB ILE A 13 -2.008 -0.084 -5.813 1.00 5.43 H new ATOM 0 HG12 ILE A 13 0.789 -1.271 -5.659 1.00 4.41 H new ATOM 0 HG13 ILE A 13 0.375 0.414 -5.413 1.00 4.41 H new ATOM 0 HG21 ILE A 13 -2.021 -2.406 -4.964 1.00 34.13 H new ATOM 0 HG22 ILE A 13 -2.731 -2.296 -6.592 1.00 34.13 H new ATOM 0 HG23 ILE A 13 -1.079 -2.924 -6.382 1.00 34.13 H new ATOM 0 HD11 ILE A 13 0.721 -0.725 -3.275 1.00 0.54 H new ATOM 0 HD12 ILE A 13 -0.970 -0.192 -3.431 1.00 0.54 H new ATOM 0 HD13 ILE A 13 -0.549 -1.903 -3.681 1.00 0.54 H new ATOM 208 N LYS A 14 -1.546 1.809 -8.277 1.00 30.43 N ATOM 209 CA LYS A 14 -1.355 3.257 -8.413 1.00 54.40 C ATOM 210 C LYS A 14 -1.731 3.995 -7.119 1.00 11.03 C ATOM 211 O LYS A 14 -2.893 3.989 -6.696 1.00 32.43 O ATOM 212 CB LYS A 14 -2.185 3.803 -9.578 1.00 30.24 C ATOM 213 CG LYS A 14 -1.841 3.181 -10.928 1.00 4.22 C ATOM 214 CD LYS A 14 -2.624 3.830 -12.067 1.00 11.44 C ATOM 215 CE LYS A 14 -4.129 3.679 -11.885 1.00 62.51 C ATOM 216 NZ LYS A 14 -4.891 4.397 -12.938 1.00 14.10 N ATOM 0 H LYS A 14 -2.463 1.477 -8.575 1.00 30.43 H new ATOM 0 HA LYS A 14 -0.298 3.430 -8.614 1.00 54.40 H new ATOM 0 HB2 LYS A 14 -3.241 3.633 -9.370 1.00 30.24 H new ATOM 0 HB3 LYS A 14 -2.042 4.882 -9.639 1.00 30.24 H new ATOM 0 HG2 LYS A 14 -0.772 3.287 -11.115 1.00 4.22 H new ATOM 0 HG3 LYS A 14 -2.056 2.113 -10.901 1.00 4.22 H new ATOM 0 HD2 LYS A 14 -2.370 4.889 -12.124 1.00 11.44 H new ATOM 0 HD3 LYS A 14 -2.327 3.380 -13.014 1.00 11.44 H new ATOM 0 HE2 LYS A 14 -4.392 2.621 -11.904 1.00 62.51 H new ATOM 0 HE3 LYS A 14 -4.416 4.061 -10.905 1.00 62.51 H new ATOM 0 HZ1 LYS A 14 -5.910 4.269 -12.777 1.00 14.10 H new ATOM 0 HZ2 LYS A 14 -4.660 5.410 -12.904 1.00 14.10 H new ATOM 0 HZ3 LYS A 14 -4.637 4.015 -13.872 1.00 14.10 H new ATOM 230 N LEU A 15 -0.740 4.631 -6.501 1.00 45.40 N ATOM 231 CA LEU A 15 -0.942 5.386 -5.261 1.00 65.04 C ATOM 232 C LEU A 15 -0.853 6.897 -5.523 1.00 64.01 C ATOM 233 O LEU A 15 -0.107 7.344 -6.390 1.00 11.42 O ATOM 234 CB LEU A 15 0.110 4.979 -4.220 1.00 63.50 C ATOM 235 CG LEU A 15 0.177 3.474 -3.905 1.00 51.35 C ATOM 236 CD1 LEU A 15 1.276 3.180 -2.884 1.00 73.42 C ATOM 237 CD2 LEU A 15 -1.173 2.967 -3.404 1.00 34.32 C ATOM 0 H LEU A 15 0.222 4.640 -6.840 1.00 45.40 H new ATOM 0 HA LEU A 15 -1.937 5.156 -4.879 1.00 65.04 H new ATOM 0 HB2 LEU A 15 1.089 5.304 -4.572 1.00 63.50 H new ATOM 0 HB3 LEU A 15 -0.091 5.518 -3.294 1.00 63.50 H new ATOM 0 HG LEU A 15 0.420 2.946 -4.827 1.00 51.35 H new ATOM 0 HD11 LEU A 15 1.304 2.110 -2.677 1.00 73.42 H new ATOM 0 HD12 LEU A 15 2.239 3.498 -3.284 1.00 73.42 H new ATOM 0 HD13 LEU A 15 1.070 3.722 -1.961 1.00 73.42 H new ATOM 0 HD21 LEU A 15 -1.104 1.901 -3.187 1.00 34.32 H new ATOM 0 HD22 LEU A 15 -1.450 3.505 -2.497 1.00 34.32 H new ATOM 0 HD23 LEU A 15 -1.931 3.133 -4.170 1.00 34.32 H new ATOM 249 N THR A 16 -1.619 7.685 -4.776 1.00 23.24 N ATOM 250 CA THR A 16 -1.587 9.150 -4.919 1.00 62.30 C ATOM 251 C THR A 16 -1.098 9.819 -3.629 1.00 12.33 C ATOM 252 O THR A 16 -1.833 9.914 -2.648 1.00 73.10 O ATOM 253 CB THR A 16 -2.982 9.710 -5.299 1.00 74.33 C ATOM 254 OG1 THR A 16 -3.450 9.079 -6.504 1.00 32.34 O ATOM 255 CG2 THR A 16 -2.938 11.223 -5.502 1.00 33.54 C ATOM 0 H THR A 16 -2.268 7.344 -4.067 1.00 23.24 H new ATOM 0 HA THR A 16 -0.888 9.379 -5.723 1.00 62.30 H new ATOM 0 HB THR A 16 -3.665 9.494 -4.477 1.00 74.33 H new ATOM 0 HG1 THR A 16 -4.332 9.435 -6.738 1.00 32.34 H new ATOM 0 HG21 THR A 16 -3.932 11.584 -5.767 1.00 33.54 H new ATOM 0 HG22 THR A 16 -2.611 11.704 -4.580 1.00 33.54 H new ATOM 0 HG23 THR A 16 -2.239 11.462 -6.304 1.00 33.54 H new ATOM 263 N VAL A 17 0.151 10.276 -3.631 1.00 21.42 N ATOM 264 CA VAL A 17 0.767 10.850 -2.428 1.00 61.22 C ATOM 265 C VAL A 17 0.806 12.388 -2.475 1.00 53.21 C ATOM 266 O VAL A 17 1.106 12.988 -3.510 1.00 30.04 O ATOM 267 CB VAL A 17 2.204 10.295 -2.214 1.00 12.04 C ATOM 268 CG1 VAL A 17 3.114 10.643 -3.391 1.00 30.55 C ATOM 269 CG2 VAL A 17 2.800 10.803 -0.902 1.00 62.23 C ATOM 0 H VAL A 17 0.760 10.262 -4.449 1.00 21.42 H new ATOM 0 HA VAL A 17 0.141 10.553 -1.587 1.00 61.22 H new ATOM 0 HB VAL A 17 2.131 9.209 -2.156 1.00 12.04 H new ATOM 0 HG11 VAL A 17 4.111 10.241 -3.211 1.00 30.55 H new ATOM 0 HG12 VAL A 17 2.708 10.210 -4.305 1.00 30.55 H new ATOM 0 HG13 VAL A 17 3.173 11.726 -3.497 1.00 30.55 H new ATOM 0 HG21 VAL A 17 3.805 10.399 -0.778 1.00 62.23 H new ATOM 0 HG22 VAL A 17 2.846 11.892 -0.921 1.00 62.23 H new ATOM 0 HG23 VAL A 17 2.175 10.481 -0.069 1.00 62.23 H new ATOM 279 N LYS A 18 0.482 13.021 -1.349 1.00 65.22 N ATOM 280 CA LYS A 18 0.570 14.479 -1.229 1.00 43.45 C ATOM 281 C LYS A 18 1.959 14.903 -0.727 1.00 73.02 C ATOM 282 O LYS A 18 2.344 14.591 0.398 1.00 40.43 O ATOM 283 CB LYS A 18 -0.507 15.018 -0.275 1.00 5.34 C ATOM 284 CG LYS A 18 -1.943 14.809 -0.760 1.00 24.43 C ATOM 285 CD LYS A 18 -2.944 15.505 0.162 1.00 24.30 C ATOM 286 CE LYS A 18 -4.380 15.360 -0.329 1.00 4.32 C ATOM 287 NZ LYS A 18 -4.849 13.950 -0.283 1.00 51.21 N ATOM 0 H LYS A 18 0.156 12.549 -0.506 1.00 65.22 H new ATOM 0 HA LYS A 18 0.406 14.901 -2.221 1.00 43.45 H new ATOM 0 HB2 LYS A 18 -0.390 14.535 0.695 1.00 5.34 H new ATOM 0 HB3 LYS A 18 -0.339 16.084 -0.123 1.00 5.34 H new ATOM 0 HG2 LYS A 18 -2.048 15.197 -1.773 1.00 24.43 H new ATOM 0 HG3 LYS A 18 -2.164 13.742 -0.802 1.00 24.43 H new ATOM 0 HD2 LYS A 18 -2.862 15.088 1.165 1.00 24.30 H new ATOM 0 HD3 LYS A 18 -2.692 16.563 0.235 1.00 24.30 H new ATOM 0 HE2 LYS A 18 -5.036 15.979 0.283 1.00 4.32 H new ATOM 0 HE3 LYS A 18 -4.452 15.732 -1.351 1.00 4.32 H new ATOM 0 HZ1 LYS A 18 -5.855 13.910 -0.545 1.00 51.21 H new ATOM 0 HZ2 LYS A 18 -4.294 13.378 -0.951 1.00 51.21 H new ATOM 0 HZ3 LYS A 18 -4.726 13.575 0.679 1.00 51.21 H new ATOM 301 N PHE A 19 2.696 15.609 -1.570 1.00 62.53 N ATOM 302 CA PHE A 19 4.018 16.133 -1.213 1.00 62.21 C ATOM 303 C PHE A 19 3.869 17.413 -0.371 1.00 62.55 C ATOM 304 O PHE A 19 2.774 17.974 -0.272 1.00 41.13 O ATOM 305 CB PHE A 19 4.835 16.428 -2.489 1.00 74.31 C ATOM 306 CG PHE A 19 6.208 15.791 -2.517 1.00 70.41 C ATOM 307 CD1 PHE A 19 7.226 16.259 -1.699 1.00 11.31 C ATOM 308 CD2 PHE A 19 6.480 14.734 -3.375 1.00 31.25 C ATOM 309 CE1 PHE A 19 8.484 15.687 -1.734 1.00 5.41 C ATOM 310 CE2 PHE A 19 7.737 14.158 -3.412 1.00 74.12 C ATOM 311 CZ PHE A 19 8.740 14.637 -2.591 1.00 73.05 C ATOM 0 H PHE A 19 2.402 15.838 -2.519 1.00 62.53 H new ATOM 0 HA PHE A 19 4.546 15.384 -0.624 1.00 62.21 H new ATOM 0 HB2 PHE A 19 4.270 16.082 -3.355 1.00 74.31 H new ATOM 0 HB3 PHE A 19 4.947 17.507 -2.592 1.00 74.31 H new ATOM 0 HD1 PHE A 19 7.033 17.081 -1.026 1.00 11.31 H new ATOM 0 HD2 PHE A 19 5.701 14.357 -4.021 1.00 31.25 H new ATOM 0 HE1 PHE A 19 9.266 16.062 -1.091 1.00 5.41 H new ATOM 0 HE2 PHE A 19 7.934 13.334 -4.082 1.00 74.12 H new ATOM 0 HZ PHE A 19 9.723 14.190 -2.620 1.00 73.05 H new ATOM 321 N GLY A 20 4.960 17.854 0.252 1.00 13.23 N ATOM 322 CA GLY A 20 4.942 19.096 1.024 1.00 52.23 C ATOM 323 C GLY A 20 4.254 20.263 0.301 1.00 23.22 C ATOM 324 O GLY A 20 3.645 21.123 0.941 1.00 55.23 O ATOM 0 H GLY A 20 5.861 17.375 0.238 1.00 13.23 H new ATOM 0 HA2 GLY A 20 4.434 18.917 1.971 1.00 52.23 H new ATOM 0 HA3 GLY A 20 5.967 19.381 1.261 1.00 52.23 H new ATOM 328 N GLY A 21 4.353 20.293 -1.028 1.00 12.21 N ATOM 329 CA GLY A 21 3.674 21.319 -1.818 1.00 72.34 C ATOM 330 C GLY A 21 2.818 20.751 -2.953 1.00 53.02 C ATOM 331 O GLY A 21 1.685 21.196 -3.169 1.00 12.34 O ATOM 0 H GLY A 21 4.893 19.624 -1.577 1.00 12.21 H new ATOM 0 HA2 GLY A 21 3.041 21.913 -1.159 1.00 72.34 H new ATOM 0 HA3 GLY A 21 4.419 21.994 -2.239 1.00 72.34 H new ATOM 335 N LYS A 22 3.354 19.774 -3.683 1.00 73.44 N ATOM 336 CA LYS A 22 2.670 19.205 -4.860 1.00 53.11 C ATOM 337 C LYS A 22 1.944 17.881 -4.541 1.00 1.33 C ATOM 338 O LYS A 22 1.943 17.413 -3.405 1.00 3.10 O ATOM 339 CB LYS A 22 3.693 18.978 -5.985 1.00 61.24 C ATOM 340 CG LYS A 22 4.417 20.250 -6.424 1.00 65.31 C ATOM 341 CD LYS A 22 3.494 21.211 -7.172 1.00 71.03 C ATOM 342 CE LYS A 22 3.105 20.667 -8.543 1.00 51.12 C ATOM 343 NZ LYS A 22 4.294 20.487 -9.418 1.00 34.24 N ATOM 0 H LYS A 22 4.262 19.354 -3.485 1.00 73.44 H new ATOM 0 HA LYS A 22 1.910 19.920 -5.175 1.00 53.11 H new ATOM 0 HB2 LYS A 22 4.430 18.248 -5.651 1.00 61.24 H new ATOM 0 HB3 LYS A 22 3.183 18.546 -6.846 1.00 61.24 H new ATOM 0 HG2 LYS A 22 4.829 20.752 -5.549 1.00 65.31 H new ATOM 0 HG3 LYS A 22 5.258 19.985 -7.064 1.00 65.31 H new ATOM 0 HD2 LYS A 22 2.595 21.386 -6.581 1.00 71.03 H new ATOM 0 HD3 LYS A 22 3.990 22.174 -7.290 1.00 71.03 H new ATOM 0 HE2 LYS A 22 2.592 19.713 -8.424 1.00 51.12 H new ATOM 0 HE3 LYS A 22 2.402 21.350 -9.020 1.00 51.12 H new ATOM 0 HZ1 LYS A 22 3.988 20.415 -10.409 1.00 34.24 H new ATOM 0 HZ2 LYS A 22 4.931 21.302 -9.311 1.00 34.24 H new ATOM 0 HZ3 LYS A 22 4.796 19.618 -9.147 1.00 34.24 H new ATOM 357 N SER A 23 1.315 17.287 -5.558 1.00 43.35 N ATOM 358 CA SER A 23 0.650 15.975 -5.421 1.00 21.13 C ATOM 359 C SER A 23 1.154 14.996 -6.492 1.00 32.31 C ATOM 360 O SER A 23 0.921 15.197 -7.685 1.00 51.33 O ATOM 361 CB SER A 23 -0.876 16.124 -5.533 1.00 73.42 C ATOM 362 OG SER A 23 -1.260 16.617 -6.813 1.00 51.32 O ATOM 0 H SER A 23 1.248 17.691 -6.492 1.00 43.35 H new ATOM 0 HA SER A 23 0.895 15.578 -4.436 1.00 21.13 H new ATOM 0 HB2 SER A 23 -1.351 15.159 -5.356 1.00 73.42 H new ATOM 0 HB3 SER A 23 -1.234 16.802 -4.758 1.00 73.42 H new ATOM 0 HG SER A 23 -0.627 16.299 -7.490 1.00 51.32 H new ATOM 368 N ILE A 24 1.825 13.925 -6.065 1.00 61.24 N ATOM 369 CA ILE A 24 2.486 13.000 -6.999 1.00 55.35 C ATOM 370 C ILE A 24 1.758 11.642 -7.106 1.00 31.41 C ATOM 371 O ILE A 24 1.621 10.916 -6.118 1.00 60.01 O ATOM 372 CB ILE A 24 3.961 12.751 -6.578 1.00 41.24 C ATOM 373 CG1 ILE A 24 4.731 14.082 -6.490 1.00 14.00 C ATOM 374 CG2 ILE A 24 4.651 11.796 -7.553 1.00 32.33 C ATOM 375 CD1 ILE A 24 4.802 14.839 -7.802 1.00 63.31 C ATOM 0 H ILE A 24 1.927 13.673 -5.082 1.00 61.24 H new ATOM 0 HA ILE A 24 2.453 13.480 -7.977 1.00 55.35 H new ATOM 0 HB ILE A 24 3.959 12.288 -5.591 1.00 41.24 H new ATOM 0 HG12 ILE A 24 4.256 14.716 -5.741 1.00 14.00 H new ATOM 0 HG13 ILE A 24 5.744 13.882 -6.142 1.00 14.00 H new ATOM 0 HG21 ILE A 24 5.682 11.637 -7.238 1.00 32.33 H new ATOM 0 HG22 ILE A 24 4.123 10.842 -7.563 1.00 32.33 H new ATOM 0 HG23 ILE A 24 4.640 12.227 -8.554 1.00 32.33 H new ATOM 0 HD11 ILE A 24 5.360 15.765 -7.658 1.00 63.31 H new ATOM 0 HD12 ILE A 24 5.304 14.225 -8.550 1.00 63.31 H new ATOM 0 HD13 ILE A 24 3.793 15.072 -8.142 1.00 63.31 H new ATOM 387 N PRO A 25 1.255 11.289 -8.309 1.00 45.34 N ATOM 388 CA PRO A 25 0.694 9.962 -8.587 1.00 22.14 C ATOM 389 C PRO A 25 1.782 8.933 -8.965 1.00 34.40 C ATOM 390 O PRO A 25 2.449 9.062 -9.995 1.00 31.41 O ATOM 391 CB PRO A 25 -0.262 10.218 -9.776 1.00 44.04 C ATOM 392 CG PRO A 25 -0.145 11.684 -10.098 1.00 63.12 C ATOM 393 CD PRO A 25 1.144 12.158 -9.485 1.00 12.35 C ATOM 0 HA PRO A 25 0.198 9.535 -7.715 1.00 22.14 H new ATOM 0 HB2 PRO A 25 0.013 9.607 -10.636 1.00 44.04 H new ATOM 0 HB3 PRO A 25 -1.288 9.957 -9.515 1.00 44.04 H new ATOM 0 HG2 PRO A 25 -0.143 11.845 -11.176 1.00 63.12 H new ATOM 0 HG3 PRO A 25 -0.993 12.238 -9.694 1.00 63.12 H new ATOM 0 HD2 PRO A 25 1.988 12.037 -10.164 1.00 12.35 H new ATOM 0 HD3 PRO A 25 1.103 13.212 -9.212 1.00 12.35 H new ATOM 401 N LEU A 26 1.962 7.917 -8.122 1.00 23.54 N ATOM 402 CA LEU A 26 2.977 6.877 -8.351 1.00 33.11 C ATOM 403 C LEU A 26 2.337 5.499 -8.599 1.00 62.24 C ATOM 404 O LEU A 26 1.145 5.301 -8.369 1.00 42.21 O ATOM 405 CB LEU A 26 3.927 6.797 -7.145 1.00 32.14 C ATOM 406 CG LEU A 26 4.766 8.058 -6.877 1.00 35.24 C ATOM 407 CD1 LEU A 26 5.573 7.914 -5.584 1.00 41.55 C ATOM 408 CD2 LEU A 26 5.687 8.352 -8.061 1.00 61.11 C ATOM 0 H LEU A 26 1.418 7.788 -7.269 1.00 23.54 H new ATOM 0 HA LEU A 26 3.537 7.153 -9.245 1.00 33.11 H new ATOM 0 HB2 LEU A 26 3.338 6.578 -6.255 1.00 32.14 H new ATOM 0 HB3 LEU A 26 4.604 5.956 -7.294 1.00 32.14 H new ATOM 0 HG LEU A 26 4.084 8.900 -6.755 1.00 35.24 H new ATOM 0 HD11 LEU A 26 6.158 8.819 -5.417 1.00 41.55 H new ATOM 0 HD12 LEU A 26 4.893 7.762 -4.746 1.00 41.55 H new ATOM 0 HD13 LEU A 26 6.244 7.059 -5.667 1.00 41.55 H new ATOM 0 HD21 LEU A 26 6.272 9.248 -7.853 1.00 61.11 H new ATOM 0 HD22 LEU A 26 6.358 7.508 -8.218 1.00 61.11 H new ATOM 0 HD23 LEU A 26 5.088 8.511 -8.958 1.00 61.11 H new ATOM 420 N SER A 27 3.144 4.550 -9.066 1.00 61.23 N ATOM 421 CA SER A 27 2.678 3.174 -9.310 1.00 14.11 C ATOM 422 C SER A 27 3.748 2.146 -8.911 1.00 14.21 C ATOM 423 O SER A 27 4.785 2.025 -9.565 1.00 31.12 O ATOM 424 CB SER A 27 2.295 2.993 -10.788 1.00 61.10 C ATOM 425 OG SER A 27 3.349 3.402 -11.653 1.00 13.21 O ATOM 0 H SER A 27 4.128 4.702 -9.286 1.00 61.23 H new ATOM 0 HA SER A 27 1.797 3.004 -8.691 1.00 14.11 H new ATOM 0 HB2 SER A 27 2.053 1.947 -10.977 1.00 61.10 H new ATOM 0 HB3 SER A 27 1.398 3.572 -11.006 1.00 61.10 H new ATOM 0 HG SER A 27 4.188 2.984 -11.367 1.00 13.21 H new ATOM 431 N VAL A 28 3.492 1.406 -7.829 1.00 24.35 N ATOM 432 CA VAL A 28 4.462 0.432 -7.297 1.00 32.24 C ATOM 433 C VAL A 28 3.809 -0.940 -7.064 1.00 52.23 C ATOM 434 O VAL A 28 2.603 -1.102 -7.238 1.00 53.13 O ATOM 435 CB VAL A 28 5.084 0.929 -5.965 1.00 15.42 C ATOM 436 CG1 VAL A 28 5.781 2.276 -6.156 1.00 64.44 C ATOM 437 CG2 VAL A 28 4.023 1.008 -4.864 1.00 70.11 C ATOM 0 H VAL A 28 2.621 1.459 -7.300 1.00 24.35 H new ATOM 0 HA VAL A 28 5.248 0.330 -8.045 1.00 32.24 H new ATOM 0 HB VAL A 28 5.837 0.206 -5.653 1.00 15.42 H new ATOM 0 HG11 VAL A 28 6.208 2.602 -5.208 1.00 64.44 H new ATOM 0 HG12 VAL A 28 6.575 2.173 -6.896 1.00 64.44 H new ATOM 0 HG13 VAL A 28 5.057 3.014 -6.501 1.00 64.44 H new ATOM 0 HG21 VAL A 28 4.483 1.359 -3.940 1.00 70.11 H new ATOM 0 HG22 VAL A 28 3.238 1.702 -5.165 1.00 70.11 H new ATOM 0 HG23 VAL A 28 3.592 0.020 -4.702 1.00 70.11 H new ATOM 447 N SER A 29 4.611 -1.929 -6.676 1.00 13.32 N ATOM 448 CA SER A 29 4.097 -3.274 -6.379 1.00 31.34 C ATOM 449 C SER A 29 3.953 -3.482 -4.861 1.00 70.24 C ATOM 450 O SER A 29 4.847 -3.129 -4.089 1.00 3.12 O ATOM 451 CB SER A 29 5.016 -4.350 -6.974 1.00 43.13 C ATOM 452 OG SER A 29 6.336 -4.249 -6.466 1.00 11.33 O ATOM 0 H SER A 29 5.619 -1.830 -6.558 1.00 13.32 H new ATOM 0 HA SER A 29 3.112 -3.365 -6.836 1.00 31.34 H new ATOM 0 HB2 SER A 29 4.614 -5.338 -6.749 1.00 43.13 H new ATOM 0 HB3 SER A 29 5.035 -4.253 -8.060 1.00 43.13 H new ATOM 0 HG SER A 29 6.894 -4.949 -6.864 1.00 11.33 H new ATOM 458 N PRO A 30 2.827 -4.075 -4.410 1.00 34.53 N ATOM 459 CA PRO A 30 2.537 -4.259 -2.970 1.00 22.22 C ATOM 460 C PRO A 30 3.561 -5.151 -2.242 1.00 33.33 C ATOM 461 O PRO A 30 3.581 -5.210 -1.010 1.00 63.50 O ATOM 462 CB PRO A 30 1.144 -4.917 -2.971 1.00 24.35 C ATOM 463 CG PRO A 30 1.006 -5.529 -4.325 1.00 50.11 C ATOM 464 CD PRO A 30 1.746 -4.611 -5.260 1.00 53.10 C ATOM 0 HA PRO A 30 2.584 -3.312 -2.432 1.00 22.22 H new ATOM 0 HB2 PRO A 30 1.063 -5.670 -2.187 1.00 24.35 H new ATOM 0 HB3 PRO A 30 0.360 -4.182 -2.789 1.00 24.35 H new ATOM 0 HG2 PRO A 30 1.428 -6.534 -4.346 1.00 50.11 H new ATOM 0 HG3 PRO A 30 -0.042 -5.618 -4.610 1.00 50.11 H new ATOM 0 HD2 PRO A 30 2.139 -5.146 -6.124 1.00 53.10 H new ATOM 0 HD3 PRO A 30 1.102 -3.819 -5.642 1.00 53.10 H new ATOM 472 N ASP A 31 4.406 -5.838 -3.012 1.00 71.22 N ATOM 473 CA ASP A 31 5.438 -6.728 -2.463 1.00 4.53 C ATOM 474 C ASP A 31 6.667 -5.955 -1.944 1.00 72.33 C ATOM 475 O ASP A 31 7.525 -6.525 -1.263 1.00 24.10 O ATOM 476 CB ASP A 31 5.876 -7.725 -3.542 1.00 52.22 C ATOM 477 CG ASP A 31 4.728 -8.590 -4.023 1.00 12.53 C ATOM 478 OD1 ASP A 31 3.826 -8.065 -4.711 1.00 73.10 O ATOM 479 OD2 ASP A 31 4.718 -9.800 -3.718 1.00 62.31 O ATOM 0 H ASP A 31 4.397 -5.796 -4.031 1.00 71.22 H new ATOM 0 HA ASP A 31 5.002 -7.252 -1.613 1.00 4.53 H new ATOM 0 HB2 ASP A 31 6.298 -7.181 -4.387 1.00 52.22 H new ATOM 0 HB3 ASP A 31 6.667 -8.362 -3.146 1.00 52.22 H new ATOM 484 N CYS A 32 6.761 -4.669 -2.278 1.00 72.14 N ATOM 485 CA CYS A 32 7.901 -3.837 -1.855 1.00 4.01 C ATOM 486 C CYS A 32 7.670 -3.216 -0.469 1.00 42.12 C ATOM 487 O CYS A 32 6.547 -2.845 -0.122 1.00 64.12 O ATOM 488 CB CYS A 32 8.157 -2.721 -2.877 1.00 50.44 C ATOM 489 SG CYS A 32 8.618 -3.311 -4.523 1.00 72.33 S ATOM 0 H CYS A 32 6.066 -4.176 -2.839 1.00 72.14 H new ATOM 0 HA CYS A 32 8.772 -4.489 -1.797 1.00 4.01 H new ATOM 0 HB2 CYS A 32 7.259 -2.109 -2.962 1.00 50.44 H new ATOM 0 HB3 CYS A 32 8.949 -2.074 -2.500 1.00 50.44 H new ATOM 0 HG CYS A 32 7.546 -3.635 -5.184 1.00 72.33 H new ATOM 495 N THR A 33 8.735 -3.111 0.325 1.00 72.44 N ATOM 496 CA THR A 33 8.656 -2.435 1.628 1.00 22.54 C ATOM 497 C THR A 33 8.701 -0.913 1.446 1.00 30.14 C ATOM 498 O THR A 33 9.349 -0.407 0.525 1.00 14.20 O ATOM 499 CB THR A 33 9.807 -2.853 2.581 1.00 21.42 C ATOM 500 OG1 THR A 33 11.063 -2.361 2.094 1.00 40.12 O ATOM 501 CG2 THR A 33 9.879 -4.371 2.724 1.00 32.00 C ATOM 0 H THR A 33 9.657 -3.481 0.095 1.00 72.44 H new ATOM 0 HA THR A 33 7.710 -2.737 2.076 1.00 22.54 H new ATOM 0 HB THR A 33 9.601 -2.418 3.559 1.00 21.42 H new ATOM 0 HG1 THR A 33 11.779 -2.631 2.706 1.00 40.12 H new ATOM 0 HG21 THR A 33 10.695 -4.635 3.397 1.00 32.00 H new ATOM 0 HG22 THR A 33 8.938 -4.743 3.130 1.00 32.00 H new ATOM 0 HG23 THR A 33 10.056 -4.821 1.747 1.00 32.00 H new ATOM 509 N VAL A 34 8.018 -0.176 2.319 1.00 21.20 N ATOM 510 CA VAL A 34 8.013 1.290 2.242 1.00 2.30 C ATOM 511 C VAL A 34 9.435 1.868 2.379 1.00 53.22 C ATOM 512 O VAL A 34 9.741 2.933 1.842 1.00 21.30 O ATOM 513 CB VAL A 34 7.086 1.906 3.315 1.00 75.40 C ATOM 514 CG1 VAL A 34 5.652 1.420 3.116 1.00 1.31 C ATOM 515 CG2 VAL A 34 7.582 1.580 4.722 1.00 11.11 C ATOM 0 H VAL A 34 7.464 -0.562 3.083 1.00 21.20 H new ATOM 0 HA VAL A 34 7.628 1.555 1.257 1.00 2.30 H new ATOM 0 HB VAL A 34 7.103 2.990 3.202 1.00 75.40 H new ATOM 0 HG11 VAL A 34 5.009 1.861 3.878 1.00 1.31 H new ATOM 0 HG12 VAL A 34 5.301 1.718 2.128 1.00 1.31 H new ATOM 0 HG13 VAL A 34 5.621 0.334 3.200 1.00 1.31 H new ATOM 0 HG21 VAL A 34 6.911 2.026 5.457 1.00 11.11 H new ATOM 0 HG22 VAL A 34 7.603 0.499 4.859 1.00 11.11 H new ATOM 0 HG23 VAL A 34 8.586 1.983 4.856 1.00 11.11 H new ATOM 525 N LYS A 35 10.300 1.148 3.091 1.00 52.40 N ATOM 526 CA LYS A 35 11.715 1.521 3.208 1.00 62.33 C ATOM 527 C LYS A 35 12.419 1.403 1.847 1.00 32.12 C ATOM 528 O LYS A 35 13.126 2.318 1.415 1.00 62.04 O ATOM 529 CB LYS A 35 12.407 0.630 4.251 1.00 21.05 C ATOM 530 CG LYS A 35 13.876 0.979 4.494 1.00 31.15 C ATOM 531 CD LYS A 35 14.481 0.140 5.620 1.00 62.01 C ATOM 532 CE LYS A 35 14.449 -1.355 5.310 1.00 50.24 C ATOM 533 NZ LYS A 35 15.313 -1.708 4.155 1.00 23.33 N ATOM 0 H LYS A 35 10.048 0.300 3.598 1.00 52.40 H new ATOM 0 HA LYS A 35 11.778 2.559 3.534 1.00 62.33 H new ATOM 0 HB2 LYS A 35 11.866 0.706 5.194 1.00 21.05 H new ATOM 0 HB3 LYS A 35 12.340 -0.409 3.928 1.00 21.05 H new ATOM 0 HG2 LYS A 35 14.444 0.820 3.577 1.00 31.15 H new ATOM 0 HG3 LYS A 35 13.962 2.037 4.743 1.00 31.15 H new ATOM 0 HD2 LYS A 35 15.512 0.452 5.789 1.00 62.01 H new ATOM 0 HD3 LYS A 35 13.935 0.329 6.544 1.00 62.01 H new ATOM 0 HE2 LYS A 35 14.774 -1.913 6.188 1.00 50.24 H new ATOM 0 HE3 LYS A 35 13.423 -1.659 5.100 1.00 50.24 H new ATOM 0 HZ1 LYS A 35 15.340 -2.742 4.045 1.00 23.33 H new ATOM 0 HZ2 LYS A 35 14.929 -1.277 3.290 1.00 23.33 H new ATOM 0 HZ3 LYS A 35 16.276 -1.352 4.320 1.00 23.33 H new ATOM 547 N ASP A 36 12.202 0.275 1.171 1.00 45.13 N ATOM 548 CA ASP A 36 12.732 0.055 -0.178 1.00 42.23 C ATOM 549 C ASP A 36 12.240 1.143 -1.149 1.00 23.23 C ATOM 550 O ASP A 36 13.002 1.653 -1.975 1.00 64.32 O ATOM 551 CB ASP A 36 12.316 -1.336 -0.670 1.00 24.35 C ATOM 552 CG ASP A 36 12.793 -1.636 -2.081 1.00 41.24 C ATOM 553 OD1 ASP A 36 14.011 -1.548 -2.333 1.00 52.52 O ATOM 554 OD2 ASP A 36 11.956 -1.983 -2.938 1.00 52.11 O ATOM 0 H ASP A 36 11.659 -0.507 1.537 1.00 45.13 H new ATOM 0 HA ASP A 36 13.820 0.113 -0.142 1.00 42.23 H new ATOM 0 HB2 ASP A 36 12.714 -2.089 0.010 1.00 24.35 H new ATOM 0 HB3 ASP A 36 11.230 -1.417 -0.635 1.00 24.35 H new ATOM 559 N LEU A 37 10.961 1.504 -1.030 1.00 44.50 N ATOM 560 CA LEU A 37 10.377 2.572 -1.849 1.00 41.12 C ATOM 561 C LEU A 37 11.085 3.913 -1.643 1.00 1.33 C ATOM 562 O LEU A 37 11.469 4.563 -2.612 1.00 23.54 O ATOM 563 CB LEU A 37 8.880 2.727 -1.555 1.00 62.22 C ATOM 564 CG LEU A 37 7.989 1.618 -2.129 1.00 50.14 C ATOM 565 CD1 LEU A 37 6.516 1.924 -1.881 1.00 62.25 C ATOM 566 CD2 LEU A 37 8.260 1.435 -3.621 1.00 3.14 C ATOM 0 H LEU A 37 10.308 1.073 -0.375 1.00 44.50 H new ATOM 0 HA LEU A 37 10.513 2.279 -2.890 1.00 41.12 H new ATOM 0 HB2 LEU A 37 8.739 2.763 -0.475 1.00 62.22 H new ATOM 0 HB3 LEU A 37 8.544 3.685 -1.953 1.00 62.22 H new ATOM 0 HG LEU A 37 8.230 0.686 -1.619 1.00 50.14 H new ATOM 0 HD11 LEU A 37 5.903 1.124 -2.297 1.00 62.25 H new ATOM 0 HD12 LEU A 37 6.336 2.000 -0.809 1.00 62.25 H new ATOM 0 HD13 LEU A 37 6.255 2.868 -2.360 1.00 62.25 H new ATOM 0 HD21 LEU A 37 7.620 0.645 -4.013 1.00 3.14 H new ATOM 0 HD22 LEU A 37 8.049 2.367 -4.146 1.00 3.14 H new ATOM 0 HD23 LEU A 37 9.305 1.163 -3.770 1.00 3.14 H new ATOM 578 N LYS A 38 11.258 4.327 -0.386 1.00 64.33 N ATOM 579 CA LYS A 38 11.943 5.593 -0.081 1.00 72.40 C ATOM 580 C LYS A 38 13.317 5.661 -0.764 1.00 24.41 C ATOM 581 O LYS A 38 13.778 6.735 -1.153 1.00 0.13 O ATOM 582 CB LYS A 38 12.118 5.779 1.433 1.00 5.03 C ATOM 583 CG LYS A 38 10.809 5.884 2.208 1.00 20.44 C ATOM 584 CD LYS A 38 11.048 6.263 3.668 1.00 71.41 C ATOM 585 CE LYS A 38 11.936 5.255 4.393 1.00 43.31 C ATOM 586 NZ LYS A 38 12.304 5.721 5.757 1.00 11.01 N ATOM 0 H LYS A 38 10.938 3.812 0.434 1.00 64.33 H new ATOM 0 HA LYS A 38 11.315 6.396 -0.467 1.00 72.40 H new ATOM 0 HB2 LYS A 38 12.693 4.941 1.826 1.00 5.03 H new ATOM 0 HB3 LYS A 38 12.705 6.680 1.611 1.00 5.03 H new ATOM 0 HG2 LYS A 38 10.167 6.629 1.739 1.00 20.44 H new ATOM 0 HG3 LYS A 38 10.280 4.932 2.161 1.00 20.44 H new ATOM 0 HD2 LYS A 38 11.510 7.249 3.714 1.00 71.41 H new ATOM 0 HD3 LYS A 38 10.090 6.336 4.183 1.00 71.41 H new ATOM 0 HE2 LYS A 38 11.417 4.299 4.464 1.00 43.31 H new ATOM 0 HE3 LYS A 38 12.842 5.084 3.811 1.00 43.31 H new ATOM 0 HZ1 LYS A 38 12.850 4.980 6.241 1.00 11.01 H new ATOM 0 HZ2 LYS A 38 12.879 6.584 5.685 1.00 11.01 H new ATOM 0 HZ3 LYS A 38 11.440 5.924 6.299 1.00 11.01 H new ATOM 600 N SER A 39 13.967 4.507 -0.904 1.00 4.10 N ATOM 601 CA SER A 39 15.263 4.434 -1.590 1.00 32.45 C ATOM 602 C SER A 39 15.097 4.489 -3.116 1.00 72.45 C ATOM 603 O SER A 39 15.889 5.125 -3.813 1.00 14.15 O ATOM 604 CB SER A 39 16.022 3.159 -1.197 1.00 23.22 C ATOM 605 OG SER A 39 17.322 3.145 -1.772 1.00 23.50 O ATOM 0 H SER A 39 13.623 3.612 -0.555 1.00 4.10 H new ATOM 0 HA SER A 39 15.842 5.302 -1.275 1.00 32.45 H new ATOM 0 HB2 SER A 39 16.099 3.097 -0.112 1.00 23.22 H new ATOM 0 HB3 SER A 39 15.464 2.283 -1.527 1.00 23.22 H new ATOM 0 HG SER A 39 17.724 4.035 -1.693 1.00 23.50 H new ATOM 611 N GLN A 40 14.058 3.830 -3.635 1.00 51.24 N ATOM 612 CA GLN A 40 13.764 3.864 -5.076 1.00 30.20 C ATOM 613 C GLN A 40 13.316 5.267 -5.519 1.00 35.44 C ATOM 614 O GLN A 40 13.500 5.655 -6.673 1.00 44.22 O ATOM 615 CB GLN A 40 12.682 2.832 -5.438 1.00 23.33 C ATOM 616 CG GLN A 40 13.118 1.380 -5.262 1.00 42.05 C ATOM 617 CD GLN A 40 12.070 0.396 -5.757 1.00 70.11 C ATOM 618 OE1 GLN A 40 12.061 0.016 -6.924 1.00 53.14 O ATOM 619 NE2 GLN A 40 11.190 -0.037 -4.879 1.00 53.23 N ATOM 0 H GLN A 40 13.408 3.269 -3.085 1.00 51.24 H new ATOM 0 HA GLN A 40 14.684 3.611 -5.604 1.00 30.20 H new ATOM 0 HB2 GLN A 40 11.802 3.013 -4.820 1.00 23.33 H new ATOM 0 HB3 GLN A 40 12.381 2.986 -6.474 1.00 23.33 H new ATOM 0 HG2 GLN A 40 14.051 1.216 -5.802 1.00 42.05 H new ATOM 0 HG3 GLN A 40 13.322 1.190 -4.208 1.00 42.05 H new ATOM 0 HE21 GLN A 40 11.223 0.298 -3.916 1.00 53.23 H new ATOM 0 HE22 GLN A 40 10.475 -0.707 -5.162 1.00 53.23 H new ATOM 628 N LEU A 41 12.721 6.016 -4.594 1.00 52.12 N ATOM 629 CA LEU A 41 12.308 7.399 -4.860 1.00 32.21 C ATOM 630 C LEU A 41 13.506 8.371 -4.916 1.00 21.10 C ATOM 631 O LEU A 41 13.414 9.429 -5.532 1.00 33.03 O ATOM 632 CB LEU A 41 11.305 7.869 -3.794 1.00 23.13 C ATOM 633 CG LEU A 41 9.970 7.102 -3.761 1.00 43.42 C ATOM 634 CD1 LEU A 41 9.071 7.632 -2.646 1.00 10.34 C ATOM 635 CD2 LEU A 41 9.266 7.183 -5.115 1.00 0.30 C ATOM 0 H LEU A 41 12.512 5.691 -3.650 1.00 52.12 H new ATOM 0 HA LEU A 41 11.834 7.407 -5.841 1.00 32.21 H new ATOM 0 HB2 LEU A 41 11.776 7.787 -2.815 1.00 23.13 H new ATOM 0 HB3 LEU A 41 11.094 8.926 -3.959 1.00 23.13 H new ATOM 0 HG LEU A 41 10.183 6.053 -3.554 1.00 43.42 H new ATOM 0 HD11 LEU A 41 8.133 7.077 -2.640 1.00 10.34 H new ATOM 0 HD12 LEU A 41 9.572 7.509 -1.686 1.00 10.34 H new ATOM 0 HD13 LEU A 41 8.866 8.689 -2.816 1.00 10.34 H new ATOM 0 HD21 LEU A 41 8.325 6.634 -5.069 1.00 0.30 H new ATOM 0 HD22 LEU A 41 9.066 8.226 -5.359 1.00 0.30 H new ATOM 0 HD23 LEU A 41 9.904 6.746 -5.883 1.00 0.30 H new ATOM 647 N GLN A 42 14.629 8.005 -4.290 1.00 54.00 N ATOM 648 CA GLN A 42 15.825 8.876 -4.252 1.00 30.31 C ATOM 649 C GLN A 42 16.245 9.398 -5.648 1.00 3.11 C ATOM 650 O GLN A 42 16.417 10.605 -5.822 1.00 53.43 O ATOM 651 CB GLN A 42 17.007 8.155 -3.578 1.00 72.04 C ATOM 652 CG GLN A 42 16.920 8.119 -2.058 1.00 72.23 C ATOM 653 CD GLN A 42 17.998 7.245 -1.436 1.00 31.12 C ATOM 654 OE1 GLN A 42 17.800 6.058 -1.198 1.00 51.44 O ATOM 655 NE2 GLN A 42 19.159 7.817 -1.186 1.00 14.21 N ATOM 0 H GLN A 42 14.742 7.116 -3.802 1.00 54.00 H new ATOM 0 HA GLN A 42 15.546 9.747 -3.659 1.00 30.31 H new ATOM 0 HB2 GLN A 42 17.059 7.133 -3.954 1.00 72.04 H new ATOM 0 HB3 GLN A 42 17.935 8.649 -3.868 1.00 72.04 H new ATOM 0 HG2 GLN A 42 17.008 9.133 -1.668 1.00 72.23 H new ATOM 0 HG3 GLN A 42 15.939 7.747 -1.762 1.00 72.23 H new ATOM 0 HE21 GLN A 42 19.296 8.806 -1.394 1.00 14.21 H new ATOM 0 HE22 GLN A 42 19.921 7.270 -0.784 1.00 14.21 H new ATOM 664 N PRO A 43 16.423 8.518 -6.663 1.00 4.44 N ATOM 665 CA PRO A 43 16.790 8.958 -8.025 1.00 12.24 C ATOM 666 C PRO A 43 15.649 9.690 -8.761 1.00 64.21 C ATOM 667 O PRO A 43 15.841 10.192 -9.869 1.00 24.11 O ATOM 668 CB PRO A 43 17.133 7.642 -8.738 1.00 75.22 C ATOM 669 CG PRO A 43 16.328 6.612 -8.024 1.00 3.01 C ATOM 670 CD PRO A 43 16.309 7.044 -6.580 1.00 15.11 C ATOM 0 HA PRO A 43 17.604 9.682 -8.004 1.00 12.24 H new ATOM 0 HB2 PRO A 43 16.875 7.685 -9.796 1.00 75.22 H new ATOM 0 HB3 PRO A 43 18.199 7.424 -8.679 1.00 75.22 H new ATOM 0 HG2 PRO A 43 15.318 6.553 -8.429 1.00 3.01 H new ATOM 0 HG3 PRO A 43 16.773 5.623 -8.132 1.00 3.01 H new ATOM 0 HD2 PRO A 43 15.389 6.739 -6.081 1.00 15.11 H new ATOM 0 HD3 PRO A 43 17.135 6.608 -6.019 1.00 15.11 H new ATOM 678 N ILE A 44 14.463 9.745 -8.150 1.00 43.43 N ATOM 679 CA ILE A 44 13.298 10.406 -8.763 1.00 71.30 C ATOM 680 C ILE A 44 12.963 11.739 -8.062 1.00 63.21 C ATOM 681 O ILE A 44 13.048 12.813 -8.660 1.00 1.42 O ATOM 682 CB ILE A 44 12.052 9.479 -8.715 1.00 12.25 C ATOM 683 CG1 ILE A 44 12.358 8.133 -9.398 1.00 71.43 C ATOM 684 CG2 ILE A 44 10.844 10.155 -9.370 1.00 71.11 C ATOM 685 CD1 ILE A 44 11.215 7.139 -9.343 1.00 61.34 C ATOM 0 H ILE A 44 14.280 9.341 -7.231 1.00 43.43 H new ATOM 0 HA ILE A 44 13.561 10.615 -9.800 1.00 71.30 H new ATOM 0 HB ILE A 44 11.807 9.289 -7.670 1.00 12.25 H new ATOM 0 HG12 ILE A 44 12.616 8.317 -10.441 1.00 71.43 H new ATOM 0 HG13 ILE A 44 13.235 7.689 -8.926 1.00 71.43 H new ATOM 0 HG21 ILE A 44 9.984 9.487 -9.324 1.00 71.11 H new ATOM 0 HG22 ILE A 44 10.614 11.080 -8.841 1.00 71.11 H new ATOM 0 HG23 ILE A 44 11.073 10.380 -10.412 1.00 71.11 H new ATOM 0 HD11 ILE A 44 11.510 6.218 -9.845 1.00 61.34 H new ATOM 0 HD12 ILE A 44 10.970 6.923 -8.303 1.00 61.34 H new ATOM 0 HD13 ILE A 44 10.342 7.561 -9.841 1.00 61.34 H new ATOM 697 N THR A 45 12.581 11.653 -6.786 1.00 3.55 N ATOM 698 CA THR A 45 12.207 12.829 -5.984 1.00 74.15 C ATOM 699 C THR A 45 13.433 13.645 -5.546 1.00 25.54 C ATOM 700 O THR A 45 13.315 14.833 -5.238 1.00 3.23 O ATOM 701 CB THR A 45 11.415 12.412 -4.722 1.00 43.33 C ATOM 702 OG1 THR A 45 12.217 11.534 -3.911 1.00 63.02 O ATOM 703 CG2 THR A 45 10.112 11.712 -5.099 1.00 24.41 C ATOM 0 H THR A 45 12.521 10.771 -6.277 1.00 3.55 H new ATOM 0 HA THR A 45 11.583 13.450 -6.626 1.00 74.15 H new ATOM 0 HB THR A 45 11.172 13.313 -4.159 1.00 43.33 H new ATOM 0 HG1 THR A 45 12.516 10.773 -4.451 1.00 63.02 H new ATOM 0 HG21 THR A 45 9.575 11.430 -4.193 1.00 24.41 H new ATOM 0 HG22 THR A 45 9.494 12.387 -5.691 1.00 24.41 H new ATOM 0 HG23 THR A 45 10.335 10.818 -5.682 1.00 24.41 H new ATOM 711 N ASN A 46 14.601 12.992 -5.512 1.00 75.50 N ATOM 712 CA ASN A 46 15.877 13.645 -5.157 1.00 11.22 C ATOM 713 C ASN A 46 15.952 14.008 -3.659 1.00 53.42 C ATOM 714 O ASN A 46 16.663 14.938 -3.269 1.00 71.02 O ATOM 715 CB ASN A 46 16.103 14.899 -6.021 1.00 40.05 C ATOM 716 CG ASN A 46 16.124 14.593 -7.512 1.00 25.44 C ATOM 717 OD1 ASN A 46 16.548 13.522 -7.940 1.00 34.51 O ATOM 718 ND2 ASN A 46 15.659 15.531 -8.314 1.00 3.12 N ATOM 0 H ASN A 46 14.693 11.999 -5.728 1.00 75.50 H new ATOM 0 HA ASN A 46 16.670 12.925 -5.358 1.00 11.22 H new ATOM 0 HB2 ASN A 46 15.315 15.623 -5.815 1.00 40.05 H new ATOM 0 HB3 ASN A 46 17.047 15.365 -5.737 1.00 40.05 H new ATOM 0 HD21 ASN A 46 15.644 15.378 -9.322 1.00 3.12 H new ATOM 0 HD22 ASN A 46 15.314 16.409 -7.926 1.00 3.12 H new ATOM 725 N VAL A 47 15.260 13.242 -2.813 1.00 35.32 N ATOM 726 CA VAL A 47 15.248 13.505 -1.365 1.00 11.11 C ATOM 727 C VAL A 47 15.655 12.252 -0.562 1.00 21.40 C ATOM 728 O VAL A 47 15.419 11.121 -0.988 1.00 14.10 O ATOM 729 CB VAL A 47 13.858 14.024 -0.899 1.00 42.21 C ATOM 730 CG1 VAL A 47 12.759 13.029 -1.246 1.00 15.21 C ATOM 731 CG2 VAL A 47 13.857 14.344 0.599 1.00 13.51 C ATOM 0 H VAL A 47 14.702 12.438 -3.100 1.00 35.32 H new ATOM 0 HA VAL A 47 15.985 14.284 -1.171 1.00 11.11 H new ATOM 0 HB VAL A 47 13.654 14.951 -1.435 1.00 42.21 H new ATOM 0 HG11 VAL A 47 11.798 13.417 -0.909 1.00 15.21 H new ATOM 0 HG12 VAL A 47 12.732 12.879 -2.325 1.00 15.21 H new ATOM 0 HG13 VAL A 47 12.960 12.078 -0.752 1.00 15.21 H new ATOM 0 HG21 VAL A 47 12.871 14.704 0.893 1.00 13.51 H new ATOM 0 HG22 VAL A 47 14.098 13.443 1.164 1.00 13.51 H new ATOM 0 HG23 VAL A 47 14.601 15.112 0.807 1.00 13.51 H new ATOM 741 N LEU A 48 16.294 12.466 0.590 1.00 64.11 N ATOM 742 CA LEU A 48 16.813 11.369 1.422 1.00 5.02 C ATOM 743 C LEU A 48 15.690 10.525 2.059 1.00 74.51 C ATOM 744 O LEU A 48 14.643 11.048 2.450 1.00 34.12 O ATOM 745 CB LEU A 48 17.725 11.939 2.520 1.00 10.23 C ATOM 746 CG LEU A 48 18.970 12.690 2.017 1.00 2.41 C ATOM 747 CD1 LEU A 48 19.775 13.248 3.188 1.00 51.45 C ATOM 748 CD2 LEU A 48 19.837 11.777 1.152 1.00 23.43 C ATOM 0 H LEU A 48 16.467 13.395 0.973 1.00 64.11 H new ATOM 0 HA LEU A 48 17.380 10.707 0.768 1.00 5.02 H new ATOM 0 HB2 LEU A 48 17.139 12.616 3.141 1.00 10.23 H new ATOM 0 HB3 LEU A 48 18.050 11.120 3.161 1.00 10.23 H new ATOM 0 HG LEU A 48 18.638 13.527 1.403 1.00 2.41 H new ATOM 0 HD11 LEU A 48 20.651 13.775 2.809 1.00 51.45 H new ATOM 0 HD12 LEU A 48 19.155 13.939 3.760 1.00 51.45 H new ATOM 0 HD13 LEU A 48 20.095 12.429 3.833 1.00 51.45 H new ATOM 0 HD21 LEU A 48 20.712 12.327 0.806 1.00 23.43 H new ATOM 0 HD22 LEU A 48 20.158 10.917 1.739 1.00 23.43 H new ATOM 0 HD23 LEU A 48 19.260 11.435 0.292 1.00 23.43 H new ATOM 760 N PRO A 49 15.907 9.194 2.195 1.00 62.35 N ATOM 761 CA PRO A 49 14.907 8.270 2.770 1.00 52.45 C ATOM 762 C PRO A 49 14.645 8.518 4.267 1.00 4.52 C ATOM 763 O PRO A 49 13.660 8.034 4.828 1.00 3.43 O ATOM 764 CB PRO A 49 15.534 6.883 2.544 1.00 33.31 C ATOM 765 CG PRO A 49 17.002 7.140 2.455 1.00 53.23 C ATOM 766 CD PRO A 49 17.143 8.487 1.797 1.00 1.30 C ATOM 0 HA PRO A 49 13.930 8.393 2.303 1.00 52.45 H new ATOM 0 HB2 PRO A 49 15.300 6.204 3.364 1.00 33.31 H new ATOM 0 HB3 PRO A 49 15.157 6.422 1.631 1.00 33.31 H new ATOM 0 HG2 PRO A 49 17.460 7.138 3.444 1.00 53.23 H new ATOM 0 HG3 PRO A 49 17.500 6.366 1.872 1.00 53.23 H new ATOM 0 HD2 PRO A 49 18.034 9.011 2.142 1.00 1.30 H new ATOM 0 HD3 PRO A 49 17.224 8.398 0.714 1.00 1.30 H new ATOM 774 N ARG A 50 15.541 9.266 4.907 1.00 71.21 N ATOM 775 CA ARG A 50 15.364 9.667 6.306 1.00 25.42 C ATOM 776 C ARG A 50 14.193 10.653 6.455 1.00 21.40 C ATOM 777 O ARG A 50 13.310 10.472 7.297 1.00 3.03 O ATOM 778 CB ARG A 50 16.647 10.325 6.832 1.00 30.42 C ATOM 779 CG ARG A 50 16.586 10.699 8.312 1.00 23.24 C ATOM 780 CD ARG A 50 17.726 11.630 8.713 1.00 64.14 C ATOM 781 NE ARG A 50 19.042 11.072 8.422 1.00 3.41 N ATOM 782 CZ ARG A 50 20.169 11.652 8.738 1.00 52.24 C ATOM 783 NH1 ARG A 50 20.179 12.772 9.394 1.00 24.34 N ATOM 784 NH2 ARG A 50 21.288 11.100 8.408 1.00 50.42 N ATOM 0 H ARG A 50 16.401 9.609 4.479 1.00 71.21 H new ATOM 0 HA ARG A 50 15.144 8.770 6.886 1.00 25.42 H new ATOM 0 HB2 ARG A 50 17.484 9.646 6.673 1.00 30.42 H new ATOM 0 HB3 ARG A 50 16.850 11.223 6.248 1.00 30.42 H new ATOM 0 HG2 ARG A 50 15.632 11.181 8.525 1.00 23.24 H new ATOM 0 HG3 ARG A 50 16.628 9.793 8.917 1.00 23.24 H new ATOM 0 HD2 ARG A 50 17.615 12.579 8.189 1.00 64.14 H new ATOM 0 HD3 ARG A 50 17.655 11.845 9.779 1.00 64.14 H new ATOM 0 HE ARG A 50 19.085 10.173 7.942 1.00 3.41 H new ATOM 0 HH11 ARG A 50 19.300 13.210 9.669 1.00 24.34 H new ATOM 0 HH12 ARG A 50 21.066 13.214 9.634 1.00 24.34 H new ATOM 0 HH21 ARG A 50 21.290 10.214 7.902 1.00 50.42 H new ATOM 0 HH22 ARG A 50 22.170 11.550 8.653 1.00 50.42 H new ATOM 798 N GLY A 51 14.197 11.692 5.623 1.00 5.10 N ATOM 799 CA GLY A 51 13.173 12.730 5.700 1.00 55.42 C ATOM 800 C GLY A 51 11.834 12.314 5.101 1.00 73.03 C ATOM 801 O GLY A 51 10.785 12.795 5.524 1.00 33.12 O ATOM 0 H GLY A 51 14.894 11.837 4.892 1.00 5.10 H new ATOM 0 HA2 GLY A 51 13.024 13.005 6.744 1.00 55.42 H new ATOM 0 HA3 GLY A 51 13.531 13.621 5.184 1.00 55.42 H new ATOM 805 N GLN A 52 11.865 11.417 4.116 1.00 20.51 N ATOM 806 CA GLN A 52 10.639 10.948 3.462 1.00 4.41 C ATOM 807 C GLN A 52 9.697 10.228 4.444 1.00 72.24 C ATOM 808 O GLN A 52 9.809 9.021 4.666 1.00 23.02 O ATOM 809 CB GLN A 52 10.979 10.026 2.282 1.00 12.02 C ATOM 810 CG GLN A 52 11.668 10.744 1.126 1.00 14.33 C ATOM 811 CD GLN A 52 11.958 9.824 -0.049 1.00 14.30 C ATOM 812 OE1 GLN A 52 11.136 9.661 -0.941 1.00 14.24 O ATOM 813 NE2 GLN A 52 13.137 9.237 -0.067 1.00 3.24 N ATOM 0 H GLN A 52 12.722 11.000 3.753 1.00 20.51 H new ATOM 0 HA GLN A 52 10.115 11.829 3.091 1.00 4.41 H new ATOM 0 HB2 GLN A 52 11.624 9.221 2.635 1.00 12.02 H new ATOM 0 HB3 GLN A 52 10.062 9.564 1.917 1.00 12.02 H new ATOM 0 HG2 GLN A 52 11.039 11.568 0.790 1.00 14.33 H new ATOM 0 HG3 GLN A 52 12.602 11.180 1.480 1.00 14.33 H new ATOM 0 HE21 GLN A 52 13.797 9.396 0.694 1.00 3.24 H new ATOM 0 HE22 GLN A 52 13.390 8.624 -0.842 1.00 3.24 H new ATOM 822 N LYS A 53 8.784 10.986 5.046 1.00 35.12 N ATOM 823 CA LYS A 53 7.785 10.425 5.959 1.00 41.22 C ATOM 824 C LYS A 53 6.493 10.061 5.215 1.00 64.31 C ATOM 825 O LYS A 53 5.661 10.927 4.934 1.00 30.33 O ATOM 826 CB LYS A 53 7.475 11.422 7.083 1.00 11.01 C ATOM 827 CG LYS A 53 8.667 11.727 7.982 1.00 15.04 C ATOM 828 CD LYS A 53 8.353 12.828 8.993 1.00 73.04 C ATOM 829 CE LYS A 53 7.200 12.444 9.915 1.00 14.14 C ATOM 830 NZ LYS A 53 6.921 13.502 10.920 1.00 23.54 N ATOM 0 H LYS A 53 8.713 11.996 4.919 1.00 35.12 H new ATOM 0 HA LYS A 53 8.200 9.513 6.389 1.00 41.22 H new ATOM 0 HB2 LYS A 53 7.117 12.352 6.642 1.00 11.01 H new ATOM 0 HB3 LYS A 53 6.664 11.026 7.694 1.00 11.01 H new ATOM 0 HG2 LYS A 53 8.963 10.822 8.512 1.00 15.04 H new ATOM 0 HG3 LYS A 53 9.516 12.029 7.369 1.00 15.04 H new ATOM 0 HD2 LYS A 53 9.241 13.036 9.590 1.00 73.04 H new ATOM 0 HD3 LYS A 53 8.103 13.747 8.463 1.00 73.04 H new ATOM 0 HE2 LYS A 53 6.305 12.262 9.321 1.00 14.14 H new ATOM 0 HE3 LYS A 53 7.438 11.511 10.426 1.00 14.14 H new ATOM 0 HZ1 LYS A 53 5.985 13.341 11.343 1.00 23.54 H new ATOM 0 HZ2 LYS A 53 7.647 13.474 11.665 1.00 23.54 H new ATOM 0 HZ3 LYS A 53 6.936 14.433 10.457 1.00 23.54 H new ATOM 844 N LEU A 54 6.345 8.781 4.885 1.00 12.20 N ATOM 845 CA LEU A 54 5.127 8.276 4.244 1.00 15.20 C ATOM 846 C LEU A 54 3.994 8.141 5.272 1.00 74.05 C ATOM 847 O LEU A 54 4.038 7.280 6.146 1.00 61.21 O ATOM 848 CB LEU A 54 5.405 6.916 3.581 1.00 4.43 C ATOM 849 CG LEU A 54 6.476 6.930 2.475 1.00 41.33 C ATOM 850 CD1 LEU A 54 6.757 5.517 1.971 1.00 40.12 C ATOM 851 CD2 LEU A 54 6.049 7.835 1.320 1.00 75.25 C ATOM 0 H LEU A 54 7.056 8.068 5.051 1.00 12.20 H new ATOM 0 HA LEU A 54 4.817 8.987 3.478 1.00 15.20 H new ATOM 0 HB2 LEU A 54 5.712 6.210 4.353 1.00 4.43 H new ATOM 0 HB3 LEU A 54 4.474 6.540 3.157 1.00 4.43 H new ATOM 0 HG LEU A 54 7.396 7.329 2.903 1.00 41.33 H new ATOM 0 HD11 LEU A 54 7.517 5.554 1.190 1.00 40.12 H new ATOM 0 HD12 LEU A 54 7.114 4.901 2.796 1.00 40.12 H new ATOM 0 HD13 LEU A 54 5.841 5.086 1.566 1.00 40.12 H new ATOM 0 HD21 LEU A 54 6.820 7.830 0.550 1.00 75.25 H new ATOM 0 HD22 LEU A 54 5.113 7.469 0.898 1.00 75.25 H new ATOM 0 HD23 LEU A 54 5.909 8.852 1.687 1.00 75.25 H new ATOM 863 N ILE A 55 2.985 9.000 5.167 1.00 74.04 N ATOM 864 CA ILE A 55 1.898 9.054 6.153 1.00 63.34 C ATOM 865 C ILE A 55 0.537 8.668 5.543 1.00 13.53 C ATOM 866 O ILE A 55 0.041 9.333 4.630 1.00 13.41 O ATOM 867 CB ILE A 55 1.802 10.474 6.770 1.00 52.10 C ATOM 868 CG1 ILE A 55 3.167 10.891 7.353 1.00 43.13 C ATOM 869 CG2 ILE A 55 0.712 10.528 7.843 1.00 52.14 C ATOM 870 CD1 ILE A 55 3.218 12.315 7.865 1.00 21.30 C ATOM 0 H ILE A 55 2.893 9.674 4.407 1.00 74.04 H new ATOM 0 HA ILE A 55 2.136 8.326 6.929 1.00 63.34 H new ATOM 0 HB ILE A 55 1.531 11.178 5.983 1.00 52.10 H new ATOM 0 HG12 ILE A 55 3.422 10.215 8.169 1.00 43.13 H new ATOM 0 HG13 ILE A 55 3.930 10.766 6.585 1.00 43.13 H new ATOM 0 HG21 ILE A 55 0.663 11.533 8.262 1.00 52.14 H new ATOM 0 HG22 ILE A 55 -0.250 10.273 7.398 1.00 52.14 H new ATOM 0 HG23 ILE A 55 0.945 9.816 8.635 1.00 52.14 H new ATOM 0 HD11 ILE A 55 4.213 12.525 8.257 1.00 21.30 H new ATOM 0 HD12 ILE A 55 2.997 13.003 7.049 1.00 21.30 H new ATOM 0 HD13 ILE A 55 2.481 12.443 8.658 1.00 21.30 H new ATOM 882 N PHE A 56 -0.064 7.596 6.060 1.00 70.34 N ATOM 883 CA PHE A 56 -1.392 7.143 5.618 1.00 61.11 C ATOM 884 C PHE A 56 -2.383 7.128 6.796 1.00 64.54 C ATOM 885 O PHE A 56 -2.122 6.501 7.826 1.00 11.41 O ATOM 886 CB PHE A 56 -1.287 5.746 4.991 1.00 10.24 C ATOM 887 CG PHE A 56 -2.597 5.190 4.472 1.00 14.05 C ATOM 888 CD1 PHE A 56 -3.273 5.813 3.428 1.00 22.31 C ATOM 889 CD2 PHE A 56 -3.142 4.035 5.017 1.00 22.22 C ATOM 890 CE1 PHE A 56 -4.463 5.298 2.945 1.00 14.01 C ATOM 891 CE2 PHE A 56 -4.332 3.518 4.537 1.00 22.33 C ATOM 892 CZ PHE A 56 -4.992 4.148 3.499 1.00 12.22 C ATOM 0 H PHE A 56 0.349 7.018 6.792 1.00 70.34 H new ATOM 0 HA PHE A 56 -1.765 7.841 4.869 1.00 61.11 H new ATOM 0 HB2 PHE A 56 -0.572 5.783 4.169 1.00 10.24 H new ATOM 0 HB3 PHE A 56 -0.884 5.058 5.734 1.00 10.24 H new ATOM 0 HD1 PHE A 56 -2.864 6.711 2.989 1.00 22.31 H new ATOM 0 HD2 PHE A 56 -2.631 3.534 5.826 1.00 22.22 H new ATOM 0 HE1 PHE A 56 -4.978 5.794 2.136 1.00 14.01 H new ATOM 0 HE2 PHE A 56 -4.746 2.621 4.974 1.00 22.33 H new ATOM 0 HZ PHE A 56 -5.919 3.742 3.122 1.00 12.22 H new ATOM 902 N LYS A 57 -3.505 7.841 6.644 1.00 21.04 N ATOM 903 CA LYS A 57 -4.546 7.922 7.687 1.00 55.50 C ATOM 904 C LYS A 57 -4.016 8.537 8.996 1.00 4.51 C ATOM 905 O LYS A 57 -4.646 8.425 10.051 1.00 35.12 O ATOM 906 CB LYS A 57 -5.161 6.533 7.957 1.00 54.11 C ATOM 907 CG LYS A 57 -6.109 6.056 6.859 1.00 22.14 C ATOM 908 CD LYS A 57 -7.304 6.997 6.709 1.00 32.24 C ATOM 909 CE LYS A 57 -8.284 6.527 5.639 1.00 54.13 C ATOM 910 NZ LYS A 57 -9.439 7.459 5.507 1.00 33.11 N ATOM 0 H LYS A 57 -3.720 8.376 5.803 1.00 21.04 H new ATOM 0 HA LYS A 57 -5.323 8.586 7.307 1.00 55.50 H new ATOM 0 HB2 LYS A 57 -4.357 5.806 8.072 1.00 54.11 H new ATOM 0 HB3 LYS A 57 -5.701 6.563 8.903 1.00 54.11 H new ATOM 0 HG2 LYS A 57 -5.571 5.994 5.913 1.00 22.14 H new ATOM 0 HG3 LYS A 57 -6.462 5.051 7.091 1.00 22.14 H new ATOM 0 HD2 LYS A 57 -7.823 7.075 7.664 1.00 32.24 H new ATOM 0 HD3 LYS A 57 -6.947 7.996 6.457 1.00 32.24 H new ATOM 0 HE2 LYS A 57 -7.768 6.448 4.682 1.00 54.13 H new ATOM 0 HE3 LYS A 57 -8.647 5.530 5.889 1.00 54.13 H new ATOM 0 HZ1 LYS A 57 -10.085 7.109 4.771 1.00 33.11 H new ATOM 0 HZ2 LYS A 57 -9.945 7.515 6.414 1.00 33.11 H new ATOM 0 HZ3 LYS A 57 -9.094 8.404 5.244 1.00 33.11 H new ATOM 924 N GLY A 58 -2.875 9.217 8.918 1.00 52.22 N ATOM 925 CA GLY A 58 -2.286 9.843 10.100 1.00 24.20 C ATOM 926 C GLY A 58 -1.151 9.028 10.716 1.00 44.02 C ATOM 927 O GLY A 58 -0.495 9.480 11.658 1.00 1.22 O ATOM 0 H GLY A 58 -2.343 9.348 8.057 1.00 52.22 H new ATOM 0 HA2 GLY A 58 -1.910 10.830 9.830 1.00 24.20 H new ATOM 0 HA3 GLY A 58 -3.064 9.992 10.849 1.00 24.20 H new ATOM 931 N LYS A 59 -0.925 7.821 10.199 1.00 0.52 N ATOM 932 CA LYS A 59 0.165 6.959 10.673 1.00 21.12 C ATOM 933 C LYS A 59 1.303 6.890 9.645 1.00 11.00 C ATOM 934 O LYS A 59 1.059 6.691 8.455 1.00 63.21 O ATOM 935 CB LYS A 59 -0.347 5.533 10.933 1.00 2.11 C ATOM 936 CG LYS A 59 0.699 4.619 11.574 1.00 51.42 C ATOM 937 CD LYS A 59 0.383 3.136 11.382 1.00 23.40 C ATOM 938 CE LYS A 59 0.567 2.701 9.931 1.00 41.44 C ATOM 939 NZ LYS A 59 0.398 1.235 9.762 1.00 34.43 N ATOM 0 H LYS A 59 -1.483 7.414 9.449 1.00 0.52 H new ATOM 0 HA LYS A 59 0.541 7.393 11.600 1.00 21.12 H new ATOM 0 HB2 LYS A 59 -1.222 5.582 11.581 1.00 2.11 H new ATOM 0 HB3 LYS A 59 -0.673 5.094 9.990 1.00 2.11 H new ATOM 0 HG2 LYS A 59 1.677 4.836 11.145 1.00 51.42 H new ATOM 0 HG3 LYS A 59 0.762 4.838 12.640 1.00 51.42 H new ATOM 0 HD2 LYS A 59 1.031 2.540 12.025 1.00 23.40 H new ATOM 0 HD3 LYS A 59 -0.643 2.940 11.693 1.00 23.40 H new ATOM 0 HE2 LYS A 59 -0.154 3.224 9.302 1.00 41.44 H new ATOM 0 HE3 LYS A 59 1.560 2.993 9.588 1.00 41.44 H new ATOM 0 HZ1 LYS A 59 0.531 0.983 8.762 1.00 34.43 H new ATOM 0 HZ2 LYS A 59 1.102 0.735 10.342 1.00 34.43 H new ATOM 0 HZ3 LYS A 59 -0.558 0.959 10.064 1.00 34.43 H new ATOM 953 N VAL A 60 2.541 7.054 10.099 1.00 71.24 N ATOM 954 CA VAL A 60 3.701 6.838 9.232 1.00 74.51 C ATOM 955 C VAL A 60 3.895 5.336 8.978 1.00 64.54 C ATOM 956 O VAL A 60 3.941 4.541 9.918 1.00 33.11 O ATOM 957 CB VAL A 60 5.000 7.428 9.839 1.00 24.33 C ATOM 958 CG1 VAL A 60 6.190 7.209 8.902 1.00 12.33 C ATOM 959 CG2 VAL A 60 4.828 8.912 10.157 1.00 51.23 C ATOM 0 H VAL A 60 2.769 7.333 11.053 1.00 71.24 H new ATOM 0 HA VAL A 60 3.504 7.355 8.293 1.00 74.51 H new ATOM 0 HB VAL A 60 5.203 6.903 10.772 1.00 24.33 H new ATOM 0 HG11 VAL A 60 7.089 7.632 9.351 1.00 12.33 H new ATOM 0 HG12 VAL A 60 6.333 6.141 8.740 1.00 12.33 H new ATOM 0 HG13 VAL A 60 5.996 7.698 7.947 1.00 12.33 H new ATOM 0 HG21 VAL A 60 5.753 9.303 10.582 1.00 51.23 H new ATOM 0 HG22 VAL A 60 4.591 9.455 9.242 1.00 51.23 H new ATOM 0 HG23 VAL A 60 4.017 9.039 10.875 1.00 51.23 H new ATOM 969 N LEU A 61 3.987 4.946 7.710 1.00 61.22 N ATOM 970 CA LEU A 61 4.151 3.534 7.347 1.00 73.24 C ATOM 971 C LEU A 61 5.420 2.934 7.976 1.00 33.42 C ATOM 972 O LEU A 61 6.487 3.555 7.977 1.00 3.41 O ATOM 973 CB LEU A 61 4.181 3.356 5.815 1.00 53.01 C ATOM 974 CG LEU A 61 2.826 3.497 5.089 1.00 0.54 C ATOM 975 CD1 LEU A 61 1.807 2.504 5.644 1.00 64.44 C ATOM 976 CD2 LEU A 61 2.291 4.923 5.175 1.00 42.32 C ATOM 0 H LEU A 61 3.951 5.584 6.915 1.00 61.22 H new ATOM 0 HA LEU A 61 3.289 2.997 7.743 1.00 73.24 H new ATOM 0 HB2 LEU A 61 4.872 4.089 5.398 1.00 53.01 H new ATOM 0 HB3 LEU A 61 4.589 2.370 5.592 1.00 53.01 H new ATOM 0 HG LEU A 61 2.992 3.268 4.036 1.00 0.54 H new ATOM 0 HD11 LEU A 61 0.860 2.622 5.117 1.00 64.44 H new ATOM 0 HD12 LEU A 61 2.176 1.488 5.504 1.00 64.44 H new ATOM 0 HD13 LEU A 61 1.657 2.693 6.707 1.00 64.44 H new ATOM 0 HD21 LEU A 61 1.336 4.985 4.653 1.00 42.32 H new ATOM 0 HD22 LEU A 61 2.152 5.197 6.221 1.00 42.32 H new ATOM 0 HD23 LEU A 61 3.002 5.607 4.712 1.00 42.32 H new ATOM 988 N VAL A 62 5.292 1.729 8.523 1.00 13.13 N ATOM 989 CA VAL A 62 6.411 1.056 9.189 1.00 35.13 C ATOM 990 C VAL A 62 7.364 0.418 8.165 1.00 61.43 C ATOM 991 O VAL A 62 6.930 -0.306 7.267 1.00 21.42 O ATOM 992 CB VAL A 62 5.898 -0.025 10.174 1.00 10.15 C ATOM 993 CG1 VAL A 62 7.050 -0.655 10.953 1.00 21.31 C ATOM 994 CG2 VAL A 62 4.862 0.566 11.127 1.00 34.23 C ATOM 0 H VAL A 62 4.423 1.194 8.520 1.00 13.13 H new ATOM 0 HA VAL A 62 6.960 1.812 9.750 1.00 35.13 H new ATOM 0 HB VAL A 62 5.421 -0.812 9.590 1.00 10.15 H new ATOM 0 HG11 VAL A 62 6.658 -1.409 11.635 1.00 21.31 H new ATOM 0 HG12 VAL A 62 7.747 -1.122 10.257 1.00 21.31 H new ATOM 0 HG13 VAL A 62 7.568 0.116 11.523 1.00 21.31 H new ATOM 0 HG21 VAL A 62 4.513 -0.208 11.811 1.00 34.23 H new ATOM 0 HG22 VAL A 62 5.314 1.378 11.697 1.00 34.23 H new ATOM 0 HG23 VAL A 62 4.018 0.951 10.554 1.00 34.23 H new ATOM 1004 N GLU A 63 8.663 0.676 8.315 1.00 32.21 N ATOM 1005 CA GLU A 63 9.672 0.212 7.350 1.00 13.31 C ATOM 1006 C GLU A 63 9.726 -1.321 7.261 1.00 45.02 C ATOM 1007 O GLU A 63 10.086 -1.876 6.225 1.00 70.13 O ATOM 1008 CB GLU A 63 11.055 0.766 7.721 1.00 0.21 C ATOM 1009 CG GLU A 63 11.100 2.290 7.799 1.00 1.32 C ATOM 1010 CD GLU A 63 12.490 2.830 8.102 1.00 61.33 C ATOM 1011 OE1 GLU A 63 13.001 2.578 9.214 1.00 4.32 O ATOM 1012 OE2 GLU A 63 13.074 3.510 7.232 1.00 74.45 O ATOM 0 H GLU A 63 9.047 1.206 9.097 1.00 32.21 H new ATOM 0 HA GLU A 63 9.380 0.588 6.369 1.00 13.31 H new ATOM 0 HB2 GLU A 63 11.357 0.352 8.683 1.00 0.21 H new ATOM 0 HB3 GLU A 63 11.783 0.426 6.985 1.00 0.21 H new ATOM 0 HG2 GLU A 63 10.753 2.707 6.854 1.00 1.32 H new ATOM 0 HG3 GLU A 63 10.409 2.629 8.570 1.00 1.32 H new ATOM 1019 N THR A 64 9.357 -1.992 8.351 1.00 13.03 N ATOM 1020 CA THR A 64 9.337 -3.462 8.403 1.00 73.23 C ATOM 1021 C THR A 64 8.063 -4.050 7.772 1.00 14.02 C ATOM 1022 O THR A 64 7.851 -5.267 7.805 1.00 54.32 O ATOM 1023 CB THR A 64 9.445 -3.969 9.863 1.00 34.41 C ATOM 1024 OG1 THR A 64 8.378 -3.424 10.652 1.00 41.02 O ATOM 1025 CG2 THR A 64 10.786 -3.581 10.484 1.00 54.22 C ATOM 0 H THR A 64 9.065 -1.542 9.218 1.00 13.03 H new ATOM 0 HA THR A 64 10.200 -3.798 7.827 1.00 73.23 H new ATOM 0 HB THR A 64 9.372 -5.056 9.847 1.00 34.41 H new ATOM 0 HG1 THR A 64 8.452 -3.751 11.573 1.00 41.02 H new ATOM 0 HG21 THR A 64 10.833 -3.950 11.509 1.00 54.22 H new ATOM 0 HG22 THR A 64 11.597 -4.020 9.903 1.00 54.22 H new ATOM 0 HG23 THR A 64 10.886 -2.496 10.485 1.00 54.22 H new ATOM 1033 N SER A 65 7.216 -3.194 7.199 1.00 74.14 N ATOM 1034 CA SER A 65 5.968 -3.649 6.562 1.00 50.53 C ATOM 1035 C SER A 65 5.834 -3.137 5.120 1.00 43.13 C ATOM 1036 O SER A 65 6.137 -1.981 4.824 1.00 2.11 O ATOM 1037 CB SER A 65 4.748 -3.203 7.383 1.00 11.33 C ATOM 1038 OG SER A 65 4.666 -1.788 7.485 1.00 65.20 O ATOM 0 H SER A 65 7.365 -2.186 7.160 1.00 74.14 H new ATOM 0 HA SER A 65 6.008 -4.738 6.529 1.00 50.53 H new ATOM 0 HB2 SER A 65 3.839 -3.587 6.920 1.00 11.33 H new ATOM 0 HB3 SER A 65 4.804 -3.636 8.382 1.00 11.33 H new ATOM 0 HG SER A 65 5.569 -1.408 7.500 1.00 65.20 H new ATOM 1044 N THR A 66 5.374 -4.013 4.228 1.00 31.52 N ATOM 1045 CA THR A 66 5.126 -3.650 2.826 1.00 21.43 C ATOM 1046 C THR A 66 3.772 -2.949 2.662 1.00 0.31 C ATOM 1047 O THR A 66 3.027 -2.774 3.633 1.00 42.34 O ATOM 1048 CB THR A 66 5.131 -4.898 1.908 1.00 70.31 C ATOM 1049 OG1 THR A 66 3.997 -5.735 2.201 1.00 13.24 O ATOM 1050 CG2 THR A 66 6.414 -5.703 2.079 1.00 51.50 C ATOM 0 H THR A 66 5.163 -4.986 4.450 1.00 31.52 H new ATOM 0 HA THR A 66 5.932 -2.975 2.537 1.00 21.43 H new ATOM 0 HB THR A 66 5.073 -4.553 0.876 1.00 70.31 H new ATOM 0 HG1 THR A 66 4.009 -6.520 1.614 1.00 13.24 H new ATOM 0 HG21 THR A 66 6.388 -6.572 1.422 1.00 51.50 H new ATOM 0 HG22 THR A 66 7.271 -5.080 1.823 1.00 51.50 H new ATOM 0 HG23 THR A 66 6.501 -6.033 3.114 1.00 51.50 H new ATOM 1058 N LEU A 67 3.444 -2.560 1.428 1.00 52.32 N ATOM 1059 CA LEU A 67 2.128 -1.981 1.134 1.00 21.01 C ATOM 1060 C LEU A 67 1.022 -3.004 1.418 1.00 63.22 C ATOM 1061 O LEU A 67 0.019 -2.690 2.060 1.00 14.54 O ATOM 1062 CB LEU A 67 2.036 -1.508 -0.330 1.00 25.31 C ATOM 1063 CG LEU A 67 2.918 -0.304 -0.714 1.00 11.34 C ATOM 1064 CD1 LEU A 67 2.685 0.868 0.238 1.00 41.05 C ATOM 1065 CD2 LEU A 67 4.395 -0.689 -0.748 1.00 12.14 C ATOM 0 H LEU A 67 4.064 -2.634 0.622 1.00 52.32 H new ATOM 0 HA LEU A 67 1.995 -1.114 1.782 1.00 21.01 H new ATOM 0 HB2 LEU A 67 2.298 -2.345 -0.977 1.00 25.31 H new ATOM 0 HB3 LEU A 67 0.998 -1.254 -0.543 1.00 25.31 H new ATOM 0 HG LEU A 67 2.632 0.010 -1.718 1.00 11.34 H new ATOM 0 HD11 LEU A 67 3.319 1.705 -0.054 1.00 41.05 H new ATOM 0 HD12 LEU A 67 1.639 1.171 0.192 1.00 41.05 H new ATOM 0 HD13 LEU A 67 2.931 0.564 1.256 1.00 41.05 H new ATOM 0 HD21 LEU A 67 4.992 0.181 -1.022 1.00 12.14 H new ATOM 0 HD22 LEU A 67 4.701 -1.044 0.236 1.00 12.14 H new ATOM 0 HD23 LEU A 67 4.548 -1.480 -1.483 1.00 12.14 H new ATOM 1077 N LYS A 68 1.226 -4.238 0.950 1.00 44.23 N ATOM 1078 CA LYS A 68 0.272 -5.326 1.187 1.00 31.20 C ATOM 1079 C LYS A 68 0.097 -5.594 2.692 1.00 71.21 C ATOM 1080 O LYS A 68 -1.023 -5.750 3.183 1.00 60.34 O ATOM 1081 CB LYS A 68 0.736 -6.606 0.473 1.00 14.42 C ATOM 1082 CG LYS A 68 -0.250 -7.765 0.587 1.00 32.20 C ATOM 1083 CD LYS A 68 0.205 -8.981 -0.219 1.00 24.25 C ATOM 1084 CE LYS A 68 -0.777 -10.142 -0.099 1.00 34.23 C ATOM 1085 NZ LYS A 68 -2.132 -9.785 -0.603 1.00 25.45 N ATOM 0 H LYS A 68 2.044 -4.509 0.404 1.00 44.23 H new ATOM 0 HA LYS A 68 -0.693 -5.021 0.782 1.00 31.20 H new ATOM 0 HB2 LYS A 68 0.901 -6.384 -0.581 1.00 14.42 H new ATOM 0 HB3 LYS A 68 1.696 -6.915 0.888 1.00 14.42 H new ATOM 0 HG2 LYS A 68 -0.362 -8.045 1.635 1.00 32.20 H new ATOM 0 HG3 LYS A 68 -1.231 -7.443 0.237 1.00 32.20 H new ATOM 0 HD2 LYS A 68 0.312 -8.703 -1.267 1.00 24.25 H new ATOM 0 HD3 LYS A 68 1.188 -9.299 0.128 1.00 24.25 H new ATOM 0 HE2 LYS A 68 -0.397 -10.997 -0.658 1.00 34.23 H new ATOM 0 HE3 LYS A 68 -0.848 -10.449 0.944 1.00 34.23 H new ATOM 0 HZ1 LYS A 68 -2.712 -10.645 -0.677 1.00 25.45 H new ATOM 0 HZ2 LYS A 68 -2.583 -9.119 0.056 1.00 25.45 H new ATOM 0 HZ3 LYS A 68 -2.048 -9.342 -1.540 1.00 25.45 H new ATOM 1099 N GLN A 69 1.214 -5.628 3.424 1.00 32.10 N ATOM 1100 CA GLN A 69 1.183 -5.843 4.880 1.00 3.54 C ATOM 1101 C GLN A 69 0.465 -4.694 5.609 1.00 40.13 C ATOM 1102 O GLN A 69 -0.064 -4.876 6.705 1.00 33.24 O ATOM 1103 CB GLN A 69 2.606 -5.997 5.437 1.00 64.31 C ATOM 1104 CG GLN A 69 3.351 -7.224 4.917 1.00 13.34 C ATOM 1105 CD GLN A 69 4.717 -7.413 5.566 1.00 33.12 C ATOM 1106 OE1 GLN A 69 5.648 -7.911 4.947 1.00 23.02 O ATOM 1107 NE2 GLN A 69 4.846 -7.030 6.822 1.00 52.34 N ATOM 0 H GLN A 69 2.150 -5.510 3.037 1.00 32.10 H new ATOM 0 HA GLN A 69 0.625 -6.763 5.057 1.00 3.54 H new ATOM 0 HB2 GLN A 69 3.180 -5.105 5.188 1.00 64.31 H new ATOM 0 HB3 GLN A 69 2.555 -6.050 6.524 1.00 64.31 H new ATOM 0 HG2 GLN A 69 2.745 -8.112 5.095 1.00 13.34 H new ATOM 0 HG3 GLN A 69 3.477 -7.135 3.838 1.00 13.34 H new ATOM 0 HE21 GLN A 69 4.053 -6.618 7.314 1.00 52.34 H new ATOM 0 HE22 GLN A 69 5.739 -7.146 7.301 1.00 52.34 H new ATOM 1116 N SER A 70 0.457 -3.509 4.995 1.00 70.43 N ATOM 1117 CA SER A 70 -0.239 -2.340 5.560 1.00 50.25 C ATOM 1118 C SER A 70 -1.667 -2.207 5.005 1.00 5.35 C ATOM 1119 O SER A 70 -2.371 -1.246 5.319 1.00 1.01 O ATOM 1120 CB SER A 70 0.549 -1.054 5.260 1.00 21.45 C ATOM 1121 OG SER A 70 1.860 -1.108 5.807 1.00 44.23 O ATOM 0 H SER A 70 0.923 -3.329 4.106 1.00 70.43 H new ATOM 0 HA SER A 70 -0.304 -2.488 6.638 1.00 50.25 H new ATOM 0 HB2 SER A 70 0.609 -0.906 4.182 1.00 21.45 H new ATOM 0 HB3 SER A 70 0.017 -0.196 5.671 1.00 21.45 H new ATOM 0 HG SER A 70 2.438 -1.638 5.219 1.00 44.23 H new ATOM 1127 N ASP A 71 -2.080 -3.177 4.183 1.00 34.12 N ATOM 1128 CA ASP A 71 -3.413 -3.181 3.556 1.00 64.03 C ATOM 1129 C ASP A 71 -3.614 -1.987 2.604 1.00 51.13 C ATOM 1130 O ASP A 71 -4.748 -1.590 2.315 1.00 74.30 O ATOM 1131 CB ASP A 71 -4.512 -3.207 4.628 1.00 5.22 C ATOM 1132 CG ASP A 71 -4.552 -4.529 5.373 1.00 3.41 C ATOM 1133 OD1 ASP A 71 -5.243 -5.456 4.904 1.00 54.04 O ATOM 1134 OD2 ASP A 71 -3.900 -4.651 6.430 1.00 53.24 O ATOM 0 H ASP A 71 -1.504 -3.981 3.932 1.00 34.12 H new ATOM 0 HA ASP A 71 -3.483 -4.087 2.954 1.00 64.03 H new ATOM 0 HB2 ASP A 71 -4.345 -2.397 5.337 1.00 5.22 H new ATOM 0 HB3 ASP A 71 -5.479 -3.026 4.159 1.00 5.22 H new ATOM 1139 N VAL A 72 -2.513 -1.435 2.105 1.00 55.24 N ATOM 1140 CA VAL A 72 -2.559 -0.355 1.115 1.00 41.33 C ATOM 1141 C VAL A 72 -2.722 -0.931 -0.303 1.00 21.45 C ATOM 1142 O VAL A 72 -1.969 -1.817 -0.716 1.00 20.04 O ATOM 1143 CB VAL A 72 -1.277 0.515 1.181 1.00 21.32 C ATOM 1144 CG1 VAL A 72 -1.308 1.625 0.134 1.00 30.35 C ATOM 1145 CG2 VAL A 72 -1.094 1.101 2.582 1.00 61.24 C ATOM 0 H VAL A 72 -1.569 -1.718 2.370 1.00 55.24 H new ATOM 0 HA VAL A 72 -3.419 0.274 1.347 1.00 41.33 H new ATOM 0 HB VAL A 72 -0.425 -0.128 0.962 1.00 21.32 H new ATOM 0 HG11 VAL A 72 -0.396 2.218 0.205 1.00 30.35 H new ATOM 0 HG12 VAL A 72 -1.378 1.185 -0.861 1.00 30.35 H new ATOM 0 HG13 VAL A 72 -2.172 2.266 0.309 1.00 30.35 H new ATOM 0 HG21 VAL A 72 -0.189 1.708 2.607 1.00 61.24 H new ATOM 0 HG22 VAL A 72 -1.954 1.722 2.832 1.00 61.24 H new ATOM 0 HG23 VAL A 72 -1.008 0.291 3.307 1.00 61.24 H new ATOM 1155 N GLY A 73 -3.711 -0.435 -1.047 1.00 72.45 N ATOM 1156 CA GLY A 73 -3.979 -0.957 -2.385 1.00 22.50 C ATOM 1157 C GLY A 73 -4.150 0.129 -3.445 1.00 63.10 C ATOM 1158 O GLY A 73 -3.962 1.317 -3.176 1.00 4.33 O ATOM 0 H GLY A 73 -4.332 0.318 -0.750 1.00 72.45 H new ATOM 0 HA2 GLY A 73 -3.161 -1.614 -2.680 1.00 22.50 H new ATOM 0 HA3 GLY A 73 -4.882 -1.567 -2.353 1.00 22.50 H new ATOM 1162 N SER A 74 -4.512 -0.290 -4.659 1.00 35.51 N ATOM 1163 CA SER A 74 -4.710 0.636 -5.785 1.00 53.24 C ATOM 1164 C SER A 74 -5.822 1.657 -5.498 1.00 60.45 C ATOM 1165 O SER A 74 -6.981 1.295 -5.288 1.00 51.33 O ATOM 1166 CB SER A 74 -5.035 -0.150 -7.066 1.00 31.22 C ATOM 1167 OG SER A 74 -6.116 -1.050 -6.867 1.00 71.41 O ATOM 0 H SER A 74 -4.676 -1.269 -4.892 1.00 35.51 H new ATOM 0 HA SER A 74 -3.781 1.189 -5.923 1.00 53.24 H new ATOM 0 HB2 SER A 74 -5.283 0.546 -7.868 1.00 31.22 H new ATOM 0 HB3 SER A 74 -4.153 -0.705 -7.387 1.00 31.22 H new ATOM 0 HG SER A 74 -6.802 -0.620 -6.315 1.00 71.41 H new ATOM 1173 N GLY A 75 -5.456 2.940 -5.494 1.00 53.14 N ATOM 1174 CA GLY A 75 -6.417 3.999 -5.202 1.00 45.03 C ATOM 1175 C GLY A 75 -6.210 4.635 -3.829 1.00 73.34 C ATOM 1176 O GLY A 75 -6.979 5.507 -3.420 1.00 10.10 O ATOM 0 H GLY A 75 -4.509 3.267 -5.688 1.00 53.14 H new ATOM 0 HA2 GLY A 75 -6.342 4.771 -5.968 1.00 45.03 H new ATOM 0 HA3 GLY A 75 -7.426 3.591 -5.258 1.00 45.03 H new ATOM 1180 N ALA A 76 -5.179 4.193 -3.106 1.00 30.44 N ATOM 1181 CA ALA A 76 -4.858 4.760 -1.792 1.00 44.15 C ATOM 1182 C ALA A 76 -4.176 6.133 -1.915 1.00 64.11 C ATOM 1183 O ALA A 76 -3.383 6.377 -2.832 1.00 41.35 O ATOM 1184 CB ALA A 76 -3.976 3.802 -1.000 1.00 43.21 C ATOM 0 H ALA A 76 -4.553 3.446 -3.406 1.00 30.44 H new ATOM 0 HA ALA A 76 -5.798 4.903 -1.258 1.00 44.15 H new ATOM 0 HB1 ALA A 76 -3.747 4.238 -0.028 1.00 43.21 H new ATOM 0 HB2 ALA A 76 -4.500 2.857 -0.860 1.00 43.21 H new ATOM 0 HB3 ALA A 76 -3.049 3.625 -1.546 1.00 43.21 H new ATOM 1190 N LYS A 77 -4.486 7.026 -0.978 1.00 35.32 N ATOM 1191 CA LYS A 77 -3.954 8.393 -0.989 1.00 73.35 C ATOM 1192 C LYS A 77 -3.064 8.662 0.234 1.00 54.41 C ATOM 1193 O LYS A 77 -3.539 8.701 1.369 1.00 52.42 O ATOM 1194 CB LYS A 77 -5.116 9.392 -1.051 1.00 15.22 C ATOM 1195 CG LYS A 77 -5.877 9.341 -2.375 1.00 12.04 C ATOM 1196 CD LYS A 77 -7.208 10.083 -2.306 1.00 22.02 C ATOM 1197 CE LYS A 77 -8.221 9.352 -1.429 1.00 22.30 C ATOM 1198 NZ LYS A 77 -9.545 10.028 -1.422 1.00 21.14 N ATOM 0 H LYS A 77 -5.108 6.828 -0.194 1.00 35.32 H new ATOM 0 HA LYS A 77 -3.328 8.515 -1.873 1.00 73.35 H new ATOM 0 HB2 LYS A 77 -5.807 9.188 -0.233 1.00 15.22 H new ATOM 0 HB3 LYS A 77 -4.730 10.400 -0.899 1.00 15.22 H new ATOM 0 HG2 LYS A 77 -5.261 9.776 -3.162 1.00 12.04 H new ATOM 0 HG3 LYS A 77 -6.057 8.301 -2.649 1.00 12.04 H new ATOM 0 HD2 LYS A 77 -7.045 11.086 -1.913 1.00 22.02 H new ATOM 0 HD3 LYS A 77 -7.613 10.197 -3.312 1.00 22.02 H new ATOM 0 HE2 LYS A 77 -8.339 8.329 -1.787 1.00 22.30 H new ATOM 0 HE3 LYS A 77 -7.840 9.291 -0.410 1.00 22.30 H new ATOM 0 HZ1 LYS A 77 -10.202 9.498 -0.814 1.00 21.14 H new ATOM 0 HZ2 LYS A 77 -9.439 10.996 -1.056 1.00 21.14 H new ATOM 0 HZ3 LYS A 77 -9.922 10.064 -2.391 1.00 21.14 H new ATOM 1212 N LEU A 78 -1.771 8.862 -0.014 1.00 11.22 N ATOM 1213 CA LEU A 78 -0.775 9.000 1.058 1.00 4.10 C ATOM 1214 C LEU A 78 -0.369 10.469 1.281 1.00 13.24 C ATOM 1215 O LEU A 78 -0.835 11.377 0.587 1.00 41.23 O ATOM 1216 CB LEU A 78 0.478 8.181 0.702 1.00 51.12 C ATOM 1217 CG LEU A 78 0.229 6.711 0.314 1.00 11.54 C ATOM 1218 CD1 LEU A 78 1.531 6.036 -0.116 1.00 1.32 C ATOM 1219 CD2 LEU A 78 -0.422 5.948 1.465 1.00 51.13 C ATOM 0 H LEU A 78 -1.382 8.933 -0.954 1.00 11.22 H new ATOM 0 HA LEU A 78 -1.227 8.630 1.979 1.00 4.10 H new ATOM 0 HB2 LEU A 78 0.989 8.674 -0.125 1.00 51.12 H new ATOM 0 HB3 LEU A 78 1.157 8.202 1.554 1.00 51.12 H new ATOM 0 HG LEU A 78 -0.457 6.696 -0.533 1.00 11.54 H new ATOM 0 HD11 LEU A 78 1.331 4.999 -0.385 1.00 1.32 H new ATOM 0 HD12 LEU A 78 1.946 6.561 -0.976 1.00 1.32 H new ATOM 0 HD13 LEU A 78 2.245 6.066 0.707 1.00 1.32 H new ATOM 0 HD21 LEU A 78 -0.588 4.913 1.167 1.00 51.13 H new ATOM 0 HD22 LEU A 78 0.233 5.975 2.336 1.00 51.13 H new ATOM 0 HD23 LEU A 78 -1.377 6.411 1.715 1.00 51.13 H new ATOM 1231 N MET A 79 0.497 10.688 2.262 1.00 70.42 N ATOM 1232 CA MET A 79 1.121 11.996 2.498 1.00 62.03 C ATOM 1233 C MET A 79 2.645 11.836 2.603 1.00 73.23 C ATOM 1234 O MET A 79 3.128 10.793 3.039 1.00 23.53 O ATOM 1235 CB MET A 79 0.570 12.630 3.785 1.00 74.02 C ATOM 1236 CG MET A 79 1.235 13.952 4.157 1.00 73.45 C ATOM 1237 SD MET A 79 0.643 14.623 5.723 1.00 0.33 S ATOM 1238 CE MET A 79 -1.095 14.861 5.362 1.00 44.11 C ATOM 0 H MET A 79 0.791 9.967 2.921 1.00 70.42 H new ATOM 0 HA MET A 79 0.886 12.652 1.659 1.00 62.03 H new ATOM 0 HB2 MET A 79 -0.501 12.794 3.668 1.00 74.02 H new ATOM 0 HB3 MET A 79 0.697 11.927 4.608 1.00 74.02 H new ATOM 0 HG2 MET A 79 2.314 13.806 4.215 1.00 73.45 H new ATOM 0 HG3 MET A 79 1.054 14.679 3.365 1.00 73.45 H new ATOM 0 HE1 MET A 79 -1.535 15.520 6.110 1.00 44.11 H new ATOM 0 HE2 MET A 79 -1.203 15.309 4.374 1.00 44.11 H new ATOM 0 HE3 MET A 79 -1.606 13.898 5.381 1.00 44.11 H new ATOM 1248 N LEU A 80 3.399 12.854 2.198 1.00 65.52 N ATOM 1249 CA LEU A 80 4.863 12.799 2.272 1.00 43.35 C ATOM 1250 C LEU A 80 5.441 14.097 2.851 1.00 53.01 C ATOM 1251 O LEU A 80 5.531 15.120 2.164 1.00 73.52 O ATOM 1252 CB LEU A 80 5.457 12.518 0.882 1.00 61.12 C ATOM 1253 CG LEU A 80 6.984 12.325 0.843 1.00 12.33 C ATOM 1254 CD1 LEU A 80 7.410 11.213 1.798 1.00 51.34 C ATOM 1255 CD2 LEU A 80 7.450 12.016 -0.578 1.00 54.44 C ATOM 0 H LEU A 80 3.027 13.724 1.817 1.00 65.52 H new ATOM 0 HA LEU A 80 5.136 11.984 2.943 1.00 43.35 H new ATOM 0 HB2 LEU A 80 4.984 11.623 0.478 1.00 61.12 H new ATOM 0 HB3 LEU A 80 5.195 13.343 0.220 1.00 61.12 H new ATOM 0 HG LEU A 80 7.454 13.254 1.165 1.00 12.33 H new ATOM 0 HD11 LEU A 80 8.492 11.092 1.756 1.00 51.34 H new ATOM 0 HD12 LEU A 80 7.113 11.473 2.814 1.00 51.34 H new ATOM 0 HD13 LEU A 80 6.929 10.279 1.507 1.00 51.34 H new ATOM 0 HD21 LEU A 80 8.532 11.883 -0.585 1.00 54.44 H new ATOM 0 HD22 LEU A 80 6.970 11.102 -0.928 1.00 54.44 H new ATOM 0 HD23 LEU A 80 7.182 12.842 -1.237 1.00 54.44 H new ATOM 1267 N MET A 81 5.818 14.050 4.126 1.00 5.31 N ATOM 1268 CA MET A 81 6.420 15.202 4.796 1.00 25.22 C ATOM 1269 C MET A 81 7.877 15.388 4.352 1.00 1.31 C ATOM 1270 O MET A 81 8.786 14.752 4.885 1.00 51.30 O ATOM 1271 CB MET A 81 6.345 15.031 6.321 1.00 4.24 C ATOM 1272 CG MET A 81 6.991 16.164 7.109 1.00 74.24 C ATOM 1273 SD MET A 81 6.998 15.861 8.887 1.00 11.34 S ATOM 1274 CE MET A 81 7.924 17.281 9.473 1.00 63.20 C ATOM 0 H MET A 81 5.717 13.225 4.718 1.00 5.31 H new ATOM 0 HA MET A 81 5.859 16.094 4.515 1.00 25.22 H new ATOM 0 HB2 MET A 81 5.299 14.949 6.615 1.00 4.24 H new ATOM 0 HB3 MET A 81 6.827 14.092 6.594 1.00 4.24 H new ATOM 0 HG2 MET A 81 8.016 16.302 6.764 1.00 74.24 H new ATOM 0 HG3 MET A 81 6.458 17.093 6.905 1.00 74.24 H new ATOM 0 HE1 MET A 81 8.013 17.235 10.558 1.00 63.20 H new ATOM 0 HE2 MET A 81 8.919 17.276 9.027 1.00 63.20 H new ATOM 0 HE3 MET A 81 7.404 18.196 9.190 1.00 63.20 H new ATOM 1284 N ALA A 82 8.087 16.240 3.353 1.00 13.35 N ATOM 1285 CA ALA A 82 9.430 16.508 2.836 1.00 50.13 C ATOM 1286 C ALA A 82 9.559 17.947 2.312 1.00 5.10 C ATOM 1287 O ALA A 82 8.581 18.694 2.260 1.00 34.45 O ATOM 1288 CB ALA A 82 9.778 15.506 1.738 1.00 23.22 C ATOM 0 H ALA A 82 7.345 16.759 2.883 1.00 13.35 H new ATOM 0 HA ALA A 82 10.135 16.395 3.659 1.00 50.13 H new ATOM 0 HB1 ALA A 82 10.779 15.714 1.360 1.00 23.22 H new ATOM 0 HB2 ALA A 82 9.746 14.495 2.145 1.00 23.22 H new ATOM 0 HB3 ALA A 82 9.058 15.593 0.925 1.00 23.22 H new ATOM 1294 N SER A 83 10.776 18.328 1.930 1.00 54.34 N ATOM 1295 CA SER A 83 11.047 19.674 1.401 1.00 14.02 C ATOM 1296 C SER A 83 11.472 19.622 -0.074 1.00 34.10 C ATOM 1297 O SER A 83 11.843 18.564 -0.583 1.00 64.44 O ATOM 1298 CB SER A 83 12.138 20.363 2.237 1.00 71.34 C ATOM 1299 OG SER A 83 13.321 19.578 2.304 1.00 52.20 O ATOM 0 H SER A 83 11.597 17.725 1.975 1.00 54.34 H new ATOM 0 HA SER A 83 10.124 20.250 1.467 1.00 14.02 H new ATOM 0 HB2 SER A 83 12.370 21.335 1.802 1.00 71.34 H new ATOM 0 HB3 SER A 83 11.764 20.545 3.245 1.00 71.34 H new ATOM 0 HG SER A 83 13.994 20.046 2.841 1.00 52.20 H new ATOM 1305 N GLN A 84 11.402 20.774 -0.754 1.00 33.23 N ATOM 1306 CA GLN A 84 11.767 20.882 -2.179 1.00 12.25 C ATOM 1307 C GLN A 84 10.796 20.113 -3.091 1.00 23.41 C ATOM 1308 O GLN A 84 11.091 19.871 -4.265 1.00 65.11 O ATOM 1309 CB GLN A 84 13.213 20.403 -2.415 1.00 4.03 C ATOM 1310 CG GLN A 84 14.274 21.342 -1.851 1.00 23.22 C ATOM 1311 CD GLN A 84 14.299 22.689 -2.555 1.00 5.11 C ATOM 1312 OE1 GLN A 84 13.612 23.629 -2.163 1.00 41.54 O ATOM 1313 NE2 GLN A 84 15.090 22.797 -3.602 1.00 54.14 N ATOM 0 H GLN A 84 11.094 21.653 -0.339 1.00 33.23 H new ATOM 0 HA GLN A 84 11.696 21.937 -2.442 1.00 12.25 H new ATOM 0 HB2 GLN A 84 13.337 19.418 -1.965 1.00 4.03 H new ATOM 0 HB3 GLN A 84 13.377 20.287 -3.486 1.00 4.03 H new ATOM 0 HG2 GLN A 84 14.089 21.496 -0.788 1.00 23.22 H new ATOM 0 HG3 GLN A 84 15.253 20.872 -1.940 1.00 23.22 H new ATOM 0 HE21 GLN A 84 15.649 21.999 -3.904 1.00 54.14 H new ATOM 0 HE22 GLN A 84 15.144 23.679 -4.111 1.00 54.14 H new ATOM 1322 N GLY A 85 9.629 19.759 -2.557 1.00 33.42 N ATOM 1323 CA GLY A 85 8.613 19.066 -3.345 1.00 72.22 C ATOM 1324 C GLY A 85 7.186 19.414 -2.919 1.00 65.43 C ATOM 1325 O GLY A 85 6.287 19.459 -3.792 1.00 37.83 O ATOM 1326 OXT GLY A 85 6.957 19.633 -1.712 1.00 37.83 O ATOM 0 H GLY A 85 9.365 19.939 -1.588 1.00 33.42 H new ATOM 0 HA2 GLY A 85 8.744 19.317 -4.398 1.00 72.22 H new ATOM 0 HA3 GLY A 85 8.761 17.990 -3.253 1.00 72.22 H new TER 1330 GLY A 85