USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 928 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 30 SER OG : rot 65:sc= 2.15 USER MOD Set 1.2: A 61 TYR OH : rot 180:sc= 1.21 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -131:sc= 0.00787 (180deg=-0.125) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.1) 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) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 8 HIS : no HE2:sc= -0.0842 K(o=-0.084,f=-1) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.141 K(o=-0.14,f=-0.78) USER MOD Single : A 11 MET CE :methyl 167:sc= -0.0402 (180deg=-0.297) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 50:sc= -0.0664 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -117:sc= 1.25 (180deg=-0.154) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -2.76 K(o=-2.8,f=-3.4!) USER MOD Single : A 32 LYS NZ :NH3+ -163:sc= -0.0706 (180deg=-0.363) USER MOD Single : A 38 THR OG1 : rot -145:sc= -0.63 USER MOD Single : A 43 SER OG : rot 90:sc= -0.438 USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= -0.0311 (180deg=-0.309) USER MOD Single : A 49 TYR OH : rot 99:sc= 0.226 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -160:sc= 0.0384 (180deg=-0.0201) USER MOD Single : A 53 MET CE :methyl -165:sc= -0.201 (180deg=-0.706) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 63 SER OG : rot 72:sc= 0.143 USER MOD Single : A 66 ASN : amide:sc= -0.125 X(o=-0.13,f=-0.033) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 103:sc= 0.368 USER MOD Single : A 77 THR OG1 : rot -82:sc= 0.247 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.0627 X(o=0.063,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -170:sc= 0.395 (180deg=0.292) USER MOD Single : A 91 ASN : amide:sc= -0.325 X(o=-0.32,f=0) USER MOD Single : A 92 SER OG : rot -61:sc= 0.522 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -1.7 K(o=-1.7,f=-2.3!) USER MOD Single : A 99 GLN : amide:sc= -4.54! C(o=-4.5!,f=-6.4!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN :FLIP amide:sc= -0.0335 F(o=-2!,f=-0.034) USER MOD Single : A 105 LYS NZ :NH3+ -133:sc= -0.748 (180deg=-2.91!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -44.709 -10.138 19.573 1.00 71.34 N ATOM 2 CA MET A 1 -43.940 -10.690 18.415 1.00 60.53 C ATOM 3 C MET A 1 -43.152 -11.953 18.827 1.00 41.21 C ATOM 4 O MET A 1 -42.833 -12.135 20.009 1.00 32.22 O ATOM 5 CB MET A 1 -42.966 -9.625 17.837 1.00 13.24 C ATOM 6 CG MET A 1 -43.635 -8.330 17.372 1.00 34.11 C ATOM 7 SD MET A 1 -42.445 -7.125 16.741 1.00 43.42 S ATOM 8 CE MET A 1 -43.492 -5.694 16.472 1.00 12.12 C ATOM 0 H1 MET A 1 -45.692 -9.959 19.284 1.00 71.34 H new ATOM 0 H2 MET A 1 -44.698 -10.823 20.355 1.00 71.34 H new ATOM 0 H3 MET A 1 -44.273 -9.247 19.886 1.00 71.34 H new ATOM 0 HA MET A 1 -44.659 -10.963 17.642 1.00 60.53 H new ATOM 0 HB2 MET A 1 -42.224 -9.381 18.597 1.00 13.24 H new ATOM 0 HB3 MET A 1 -42.429 -10.063 16.995 1.00 13.24 H new ATOM 0 HG2 MET A 1 -44.362 -8.560 16.593 1.00 34.11 H new ATOM 0 HG3 MET A 1 -44.186 -7.891 18.203 1.00 34.11 H new ATOM 0 HE1 MET A 1 -42.891 -4.872 16.083 1.00 12.12 H new ATOM 0 HE2 MET A 1 -44.273 -5.944 15.754 1.00 12.12 H new ATOM 0 HE3 MET A 1 -43.949 -5.395 17.415 1.00 12.12 H new ATOM 20 N GLY A 2 -42.836 -12.813 17.841 1.00 3.21 N ATOM 21 CA GLY A 2 -42.061 -14.036 18.085 1.00 43.35 C ATOM 22 C GLY A 2 -41.497 -14.632 16.798 1.00 43.52 C ATOM 23 O GLY A 2 -42.089 -14.468 15.722 1.00 20.13 O ATOM 0 H GLY A 2 -43.108 -12.680 16.867 1.00 3.21 H new ATOM 0 HA2 GLY A 2 -41.242 -13.814 18.769 1.00 43.35 H new ATOM 0 HA3 GLY A 2 -42.696 -14.773 18.576 1.00 43.35 H new ATOM 27 N HIS A 3 -40.341 -15.306 16.905 1.00 20.01 N ATOM 28 CA HIS A 3 -39.680 -15.976 15.766 1.00 53.51 C ATOM 29 C HIS A 3 -39.731 -17.503 15.962 1.00 33.12 C ATOM 30 O HIS A 3 -39.153 -18.020 16.925 1.00 75.14 O ATOM 31 CB HIS A 3 -38.203 -15.508 15.645 1.00 1.13 C ATOM 32 CG HIS A 3 -38.037 -14.028 15.422 1.00 22.34 C ATOM 33 ND1 HIS A 3 -37.890 -13.462 14.169 1.00 12.52 N ATOM 34 CD2 HIS A 3 -37.997 -12.996 16.300 1.00 22.30 C ATOM 35 CE1 HIS A 3 -37.782 -12.156 14.292 1.00 1.32 C ATOM 36 NE2 HIS A 3 -37.839 -11.847 15.569 1.00 3.12 N ATOM 0 H HIS A 3 -39.834 -15.404 17.785 1.00 20.01 H new ATOM 0 HA HIS A 3 -40.206 -15.711 14.849 1.00 53.51 H new ATOM 0 HB2 HIS A 3 -37.670 -15.789 16.553 1.00 1.13 H new ATOM 0 HB3 HIS A 3 -37.731 -16.043 14.821 1.00 1.13 H new ATOM 0 HD2 HIS A 3 -38.075 -13.066 17.375 1.00 22.30 H new ATOM 0 HE1 HIS A 3 -37.666 -11.455 13.479 1.00 1.32 H new ATOM 0 HE2 HIS A 3 -37.776 -10.904 15.954 1.00 3.12 H new ATOM 45 N HIS A 4 -40.444 -18.213 15.063 1.00 51.13 N ATOM 46 CA HIS A 4 -40.521 -19.693 15.090 1.00 43.53 C ATOM 47 C HIS A 4 -39.112 -20.343 14.951 1.00 42.45 C ATOM 48 O HIS A 4 -38.402 -20.105 13.966 1.00 13.33 O ATOM 49 CB HIS A 4 -41.512 -20.216 14.004 1.00 32.12 C ATOM 50 CG HIS A 4 -41.329 -19.636 12.615 1.00 11.51 C ATOM 51 ND1 HIS A 4 -42.216 -18.735 12.063 1.00 33.41 N ATOM 52 CD2 HIS A 4 -40.390 -19.852 11.658 1.00 14.23 C ATOM 53 CE1 HIS A 4 -41.830 -18.417 10.847 1.00 55.11 C ATOM 54 NE2 HIS A 4 -40.730 -19.077 10.575 1.00 33.54 N ATOM 0 H HIS A 4 -40.977 -17.785 14.306 1.00 51.13 H new ATOM 0 HA HIS A 4 -40.910 -19.991 16.063 1.00 43.53 H new ATOM 0 HB2 HIS A 4 -41.415 -21.300 13.941 1.00 32.12 H new ATOM 0 HB3 HIS A 4 -42.529 -20.006 14.335 1.00 32.12 H new ATOM 0 HD2 HIS A 4 -39.536 -20.509 11.734 1.00 14.23 H new ATOM 0 HE1 HIS A 4 -42.334 -17.729 10.184 1.00 55.11 H new ATOM 0 HE2 HIS A 4 -40.210 -19.024 9.699 1.00 33.54 H new ATOM 63 N HIS A 5 -38.711 -21.131 15.968 1.00 50.13 N ATOM 64 CA HIS A 5 -37.368 -21.743 16.029 1.00 12.43 C ATOM 65 C HIS A 5 -37.200 -22.836 14.948 1.00 63.41 C ATOM 66 O HIS A 5 -37.908 -23.849 14.961 1.00 72.14 O ATOM 67 CB HIS A 5 -37.108 -22.325 17.442 1.00 53.13 C ATOM 68 CG HIS A 5 -35.690 -22.794 17.659 1.00 41.53 C ATOM 69 ND1 HIS A 5 -34.653 -21.934 17.936 1.00 11.44 N ATOM 70 CD2 HIS A 5 -35.140 -24.034 17.631 1.00 33.15 C ATOM 71 CE1 HIS A 5 -33.533 -22.615 18.064 1.00 20.41 C ATOM 72 NE2 HIS A 5 -33.798 -23.890 17.886 1.00 21.11 N ATOM 0 H HIS A 5 -39.304 -21.360 16.766 1.00 50.13 H new ATOM 0 HA HIS A 5 -36.631 -20.965 15.830 1.00 12.43 H new ATOM 0 HB2 HIS A 5 -37.347 -21.566 18.187 1.00 53.13 H new ATOM 0 HB3 HIS A 5 -37.787 -23.161 17.610 1.00 53.13 H new ATOM 0 HD2 HIS A 5 -35.660 -24.962 17.443 1.00 33.15 H new ATOM 0 HE1 HIS A 5 -32.561 -22.196 18.279 1.00 20.41 H new ATOM 0 HE2 HIS A 5 -33.118 -24.649 17.930 1.00 21.11 H new ATOM 81 N HIS A 6 -36.252 -22.609 14.024 1.00 53.54 N ATOM 82 CA HIS A 6 -35.945 -23.549 12.928 1.00 64.25 C ATOM 83 C HIS A 6 -35.175 -24.786 13.453 1.00 72.14 C ATOM 84 O HIS A 6 -34.500 -24.725 14.486 1.00 34.42 O ATOM 85 CB HIS A 6 -35.148 -22.822 11.812 1.00 50.51 C ATOM 86 CG HIS A 6 -35.882 -21.640 11.224 1.00 15.01 C ATOM 87 ND1 HIS A 6 -35.725 -20.350 11.686 1.00 60.21 N ATOM 88 CD2 HIS A 6 -36.777 -21.559 10.209 1.00 12.55 C ATOM 89 CE1 HIS A 6 -36.493 -19.535 10.990 1.00 71.25 C ATOM 90 NE2 HIS A 6 -37.140 -20.238 10.088 1.00 30.11 N ATOM 0 H HIS A 6 -35.675 -21.768 14.014 1.00 53.54 H new ATOM 0 HA HIS A 6 -36.883 -23.907 12.504 1.00 64.25 H new ATOM 0 HB2 HIS A 6 -34.195 -22.483 12.218 1.00 50.51 H new ATOM 0 HB3 HIS A 6 -34.921 -23.532 11.017 1.00 50.51 H new ATOM 0 HD2 HIS A 6 -37.138 -22.380 9.607 1.00 12.55 H new ATOM 0 HE1 HIS A 6 -36.576 -18.468 11.137 1.00 71.25 H new ATOM 0 HE2 HIS A 6 -37.803 -19.865 9.409 1.00 30.11 H new ATOM 99 N HIS A 7 -35.284 -25.901 12.719 1.00 32.40 N ATOM 100 CA HIS A 7 -34.721 -27.210 13.124 1.00 75.13 C ATOM 101 C HIS A 7 -33.177 -27.285 12.914 1.00 3.53 C ATOM 102 O HIS A 7 -32.544 -26.318 12.463 1.00 63.54 O ATOM 103 CB HIS A 7 -35.443 -28.332 12.331 1.00 23.55 C ATOM 104 CG HIS A 7 -36.948 -28.304 12.461 1.00 42.11 C ATOM 105 ND1 HIS A 7 -37.793 -28.057 11.400 1.00 21.54 N ATOM 106 CD2 HIS A 7 -37.756 -28.513 13.528 1.00 30.02 C ATOM 107 CE1 HIS A 7 -39.041 -28.115 11.802 1.00 11.43 C ATOM 108 NE2 HIS A 7 -39.051 -28.394 13.088 1.00 12.21 N ATOM 0 H HIS A 7 -35.767 -25.928 11.821 1.00 32.40 H new ATOM 0 HA HIS A 7 -34.889 -27.341 14.193 1.00 75.13 H new ATOM 0 HB2 HIS A 7 -35.178 -28.247 11.277 1.00 23.55 H new ATOM 0 HB3 HIS A 7 -35.077 -29.299 12.675 1.00 23.55 H new ATOM 0 HD2 HIS A 7 -37.440 -28.732 14.537 1.00 30.02 H new ATOM 0 HE1 HIS A 7 -39.912 -27.960 11.183 1.00 11.43 H new ATOM 0 HE2 HIS A 7 -39.885 -28.504 13.664 1.00 12.21 H new ATOM 117 N HIS A 8 -32.580 -28.455 13.252 1.00 51.30 N ATOM 118 CA HIS A 8 -31.117 -28.723 13.068 1.00 13.50 C ATOM 119 C HIS A 8 -30.765 -29.105 11.595 1.00 62.11 C ATOM 120 O HIS A 8 -30.000 -30.049 11.337 1.00 30.25 O ATOM 121 CB HIS A 8 -30.652 -29.827 14.068 1.00 51.25 C ATOM 122 CG HIS A 8 -31.338 -31.165 13.922 1.00 64.24 C ATOM 123 ND1 HIS A 8 -30.926 -32.124 13.024 1.00 33.50 N ATOM 124 CD2 HIS A 8 -32.393 -31.711 14.577 1.00 24.11 C ATOM 125 CE1 HIS A 8 -31.690 -33.188 13.125 1.00 4.10 C ATOM 126 NE2 HIS A 8 -32.586 -32.969 14.061 1.00 70.13 N ATOM 0 H HIS A 8 -33.089 -29.240 13.658 1.00 51.30 H new ATOM 0 HA HIS A 8 -30.577 -27.801 13.282 1.00 13.50 H new ATOM 0 HB2 HIS A 8 -29.579 -29.973 13.948 1.00 51.25 H new ATOM 0 HB3 HIS A 8 -30.813 -29.464 15.083 1.00 51.25 H new ATOM 0 HD1 HIS A 8 -30.144 -32.023 12.377 1.00 33.50 H new ATOM 0 HD2 HIS A 8 -32.973 -31.243 15.359 1.00 24.11 H new ATOM 0 HE1 HIS A 8 -31.597 -34.090 12.538 1.00 4.10 H new ATOM 135 N SER A 9 -31.283 -28.315 10.646 1.00 35.11 N ATOM 136 CA SER A 9 -31.180 -28.602 9.203 1.00 72.53 C ATOM 137 C SER A 9 -29.762 -28.331 8.654 1.00 23.32 C ATOM 138 O SER A 9 -29.095 -27.373 9.066 1.00 43.24 O ATOM 139 CB SER A 9 -32.203 -27.751 8.421 1.00 62.12 C ATOM 140 OG SER A 9 -31.968 -26.356 8.571 1.00 35.23 O ATOM 0 H SER A 9 -31.788 -27.454 10.855 1.00 35.11 H new ATOM 0 HA SER A 9 -31.393 -29.662 9.069 1.00 72.53 H new ATOM 0 HB2 SER A 9 -32.159 -28.014 7.364 1.00 62.12 H new ATOM 0 HB3 SER A 9 -33.209 -27.987 8.767 1.00 62.12 H new ATOM 0 HG SER A 9 -32.636 -25.855 8.059 1.00 35.23 H new ATOM 146 N HIS A 10 -29.325 -29.179 7.708 1.00 1.44 N ATOM 147 CA HIS A 10 -28.056 -28.983 6.969 1.00 43.14 C ATOM 148 C HIS A 10 -28.143 -27.749 6.037 1.00 3.43 C ATOM 149 O HIS A 10 -29.214 -27.423 5.513 1.00 31.43 O ATOM 150 CB HIS A 10 -27.694 -30.257 6.155 1.00 41.31 C ATOM 151 CG HIS A 10 -28.774 -30.716 5.207 1.00 33.15 C ATOM 152 ND1 HIS A 10 -29.124 -30.019 4.069 1.00 15.44 N ATOM 153 CD2 HIS A 10 -29.594 -31.791 5.241 1.00 74.42 C ATOM 154 CE1 HIS A 10 -30.103 -30.642 3.453 1.00 72.22 C ATOM 155 NE2 HIS A 10 -30.411 -31.717 4.140 1.00 75.04 N ATOM 0 H HIS A 10 -29.835 -30.018 7.431 1.00 1.44 H new ATOM 0 HA HIS A 10 -27.266 -28.803 7.697 1.00 43.14 H new ATOM 0 HB2 HIS A 10 -26.785 -30.064 5.585 1.00 41.31 H new ATOM 0 HB3 HIS A 10 -27.469 -31.066 6.850 1.00 41.31 H new ATOM 0 HD2 HIS A 10 -29.604 -32.564 5.995 1.00 74.42 H new ATOM 0 HE1 HIS A 10 -30.575 -30.323 2.535 1.00 72.22 H new ATOM 0 HE2 HIS A 10 -31.139 -32.388 3.896 1.00 75.04 H new ATOM 164 N MET A 11 -27.001 -27.084 5.826 1.00 34.33 N ATOM 165 CA MET A 11 -26.907 -25.903 4.945 1.00 3.54 C ATOM 166 C MET A 11 -25.523 -25.838 4.254 1.00 62.11 C ATOM 167 O MET A 11 -24.488 -26.065 4.891 1.00 52.12 O ATOM 168 CB MET A 11 -27.189 -24.595 5.748 1.00 4.12 C ATOM 169 CG MET A 11 -26.274 -24.357 6.964 1.00 34.00 C ATOM 170 SD MET A 11 -26.563 -22.760 7.766 1.00 52.03 S ATOM 171 CE MET A 11 -28.264 -22.925 8.319 1.00 62.21 C ATOM 0 H MET A 11 -26.115 -27.345 6.258 1.00 34.33 H new ATOM 0 HA MET A 11 -27.666 -25.997 4.168 1.00 3.54 H new ATOM 0 HB2 MET A 11 -27.094 -23.746 5.071 1.00 4.12 H new ATOM 0 HB3 MET A 11 -28.223 -24.615 6.091 1.00 4.12 H new ATOM 0 HG2 MET A 11 -26.429 -25.155 7.690 1.00 34.00 H new ATOM 0 HG3 MET A 11 -25.233 -24.414 6.645 1.00 34.00 H new ATOM 0 HE1 MET A 11 -28.498 -22.124 9.020 1.00 62.21 H new ATOM 0 HE2 MET A 11 -28.933 -22.863 7.461 1.00 62.21 H new ATOM 0 HE3 MET A 11 -28.394 -23.888 8.812 1.00 62.21 H new ATOM 181 N ILE A 12 -25.529 -25.570 2.939 1.00 22.13 N ATOM 182 CA ILE A 12 -24.305 -25.296 2.162 1.00 44.11 C ATOM 183 C ILE A 12 -23.716 -23.943 2.628 1.00 53.02 C ATOM 184 O ILE A 12 -24.392 -22.912 2.566 1.00 41.31 O ATOM 185 CB ILE A 12 -24.623 -25.268 0.615 1.00 53.42 C ATOM 186 CG1 ILE A 12 -25.242 -26.634 0.161 1.00 34.02 C ATOM 187 CG2 ILE A 12 -23.365 -24.916 -0.219 1.00 42.12 C ATOM 188 CD1 ILE A 12 -25.698 -26.691 -1.296 1.00 15.31 C ATOM 0 H ILE A 12 -26.383 -25.537 2.382 1.00 22.13 H new ATOM 0 HA ILE A 12 -23.576 -26.088 2.332 1.00 44.11 H new ATOM 0 HB ILE A 12 -25.356 -24.482 0.435 1.00 53.42 H new ATOM 0 HG12 ILE A 12 -24.505 -27.420 0.325 1.00 34.02 H new ATOM 0 HG13 ILE A 12 -26.096 -26.858 0.801 1.00 34.02 H new ATOM 0 HG21 ILE A 12 -23.622 -24.906 -1.278 1.00 42.12 H new ATOM 0 HG22 ILE A 12 -22.997 -23.933 0.074 1.00 42.12 H new ATOM 0 HG23 ILE A 12 -22.590 -25.661 -0.041 1.00 42.12 H new ATOM 0 HD11 ILE A 12 -26.111 -27.677 -1.510 1.00 15.31 H new ATOM 0 HD12 ILE A 12 -26.462 -25.933 -1.468 1.00 15.31 H new ATOM 0 HD13 ILE A 12 -24.847 -26.504 -1.951 1.00 15.31 H new ATOM 200 N LYS A 13 -22.478 -23.963 3.142 1.00 32.44 N ATOM 201 CA LYS A 13 -21.863 -22.776 3.767 1.00 21.31 C ATOM 202 C LYS A 13 -21.172 -21.890 2.698 1.00 73.45 C ATOM 203 O LYS A 13 -20.208 -22.318 2.053 1.00 24.30 O ATOM 204 CB LYS A 13 -20.867 -23.226 4.877 1.00 25.12 C ATOM 205 CG LYS A 13 -20.478 -22.110 5.869 1.00 73.52 C ATOM 206 CD LYS A 13 -19.591 -22.624 7.028 1.00 3.43 C ATOM 207 CE LYS A 13 -19.276 -21.522 8.058 1.00 34.15 C ATOM 208 NZ LYS A 13 -18.380 -22.002 9.129 1.00 1.14 N ATOM 0 H LYS A 13 -21.879 -24.789 3.139 1.00 32.44 H new ATOM 0 HA LYS A 13 -22.640 -22.169 4.232 1.00 21.31 H new ATOM 0 HB2 LYS A 13 -21.309 -24.053 5.433 1.00 25.12 H new ATOM 0 HB3 LYS A 13 -19.962 -23.608 4.404 1.00 25.12 H new ATOM 0 HG2 LYS A 13 -19.948 -21.322 5.334 1.00 73.52 H new ATOM 0 HG3 LYS A 13 -21.383 -21.663 6.280 1.00 73.52 H new ATOM 0 HD2 LYS A 13 -20.094 -23.452 7.528 1.00 3.43 H new ATOM 0 HD3 LYS A 13 -18.658 -23.016 6.622 1.00 3.43 H new ATOM 0 HE2 LYS A 13 -18.813 -20.675 7.552 1.00 34.15 H new ATOM 0 HE3 LYS A 13 -20.206 -21.161 8.498 1.00 34.15 H new ATOM 0 HZ1 LYS A 13 -18.195 -21.229 9.799 1.00 1.14 H new ATOM 0 HZ2 LYS A 13 -18.831 -22.794 9.630 1.00 1.14 H new ATOM 0 HZ3 LYS A 13 -17.482 -22.322 8.713 1.00 1.14 H new ATOM 222 N ARG A 14 -21.691 -20.657 2.510 1.00 51.13 N ATOM 223 CA ARG A 14 -21.205 -19.700 1.472 1.00 25.24 C ATOM 224 C ARG A 14 -19.930 -18.922 1.911 1.00 1.22 C ATOM 225 O ARG A 14 -19.469 -18.044 1.169 1.00 41.21 O ATOM 226 CB ARG A 14 -22.343 -18.691 1.066 1.00 71.03 C ATOM 227 CG ARG A 14 -23.433 -19.240 0.101 1.00 51.04 C ATOM 228 CD ARG A 14 -24.331 -20.329 0.716 1.00 32.43 C ATOM 229 NE ARG A 14 -25.301 -20.867 -0.262 1.00 12.54 N ATOM 230 CZ ARG A 14 -26.318 -21.661 0.023 1.00 44.11 C ATOM 231 NH1 ARG A 14 -26.567 -22.039 1.238 1.00 51.22 N ATOM 232 NH2 ARG A 14 -27.085 -22.066 -0.933 1.00 71.34 N ATOM 0 H ARG A 14 -22.460 -20.290 3.071 1.00 51.13 H new ATOM 0 HA ARG A 14 -20.929 -20.302 0.606 1.00 25.24 H new ATOM 0 HB2 ARG A 14 -22.833 -18.343 1.975 1.00 71.03 H new ATOM 0 HB3 ARG A 14 -21.880 -17.821 0.601 1.00 71.03 H new ATOM 0 HG2 ARG A 14 -24.060 -18.412 -0.229 1.00 51.04 H new ATOM 0 HG3 ARG A 14 -22.946 -19.645 -0.786 1.00 51.04 H new ATOM 0 HD2 ARG A 14 -23.709 -21.141 1.093 1.00 32.43 H new ATOM 0 HD3 ARG A 14 -24.868 -19.916 1.570 1.00 32.43 H new ATOM 0 HE ARG A 14 -25.174 -20.603 -1.239 1.00 12.54 H new ATOM 0 HH11 ARG A 14 -25.971 -21.723 2.003 1.00 51.22 H new ATOM 0 HH12 ARG A 14 -27.359 -22.652 1.429 1.00 51.22 H new ATOM 0 HH21 ARG A 14 -26.902 -21.773 -1.893 1.00 71.34 H new ATOM 0 HH22 ARG A 14 -27.874 -22.679 -0.729 1.00 71.34 H new ATOM 246 N THR A 15 -19.359 -19.248 3.092 1.00 20.22 N ATOM 247 CA THR A 15 -18.143 -18.566 3.608 1.00 72.03 C ATOM 248 C THR A 15 -16.863 -19.018 2.850 1.00 65.54 C ATOM 249 O THR A 15 -16.134 -19.926 3.279 1.00 31.21 O ATOM 250 CB THR A 15 -17.957 -18.770 5.153 1.00 42.54 C ATOM 251 OG1 THR A 15 -17.830 -20.169 5.457 1.00 31.34 O ATOM 252 CG2 THR A 15 -19.132 -18.172 5.954 1.00 11.44 C ATOM 0 H THR A 15 -19.718 -19.978 3.708 1.00 20.22 H new ATOM 0 HA THR A 15 -18.293 -17.502 3.427 1.00 72.03 H new ATOM 0 HB THR A 15 -17.047 -18.246 5.445 1.00 42.54 H new ATOM 0 HG1 THR A 15 -17.162 -20.573 4.865 1.00 31.34 H new ATOM 0 HG21 THR A 15 -18.966 -18.334 7.019 1.00 11.44 H new ATOM 0 HG22 THR A 15 -19.201 -17.102 5.756 1.00 11.44 H new ATOM 0 HG23 THR A 15 -20.061 -18.657 5.654 1.00 11.44 H new ATOM 260 N ASN A 16 -16.642 -18.388 1.691 1.00 4.04 N ATOM 261 CA ASN A 16 -15.445 -18.580 0.856 1.00 12.12 C ATOM 262 C ASN A 16 -15.201 -17.290 0.048 1.00 0.22 C ATOM 263 O ASN A 16 -16.152 -16.670 -0.440 1.00 14.13 O ATOM 264 CB ASN A 16 -15.633 -19.796 -0.097 1.00 74.21 C ATOM 265 CG ASN A 16 -14.402 -20.108 -0.960 1.00 10.11 C ATOM 266 OD1 ASN A 16 -13.263 -19.883 -0.555 1.00 13.30 O ATOM 267 ND2 ASN A 16 -14.620 -20.624 -2.155 1.00 55.15 N ATOM 0 H ASN A 16 -17.301 -17.717 1.297 1.00 4.04 H new ATOM 0 HA ASN A 16 -14.582 -18.787 1.489 1.00 12.12 H new ATOM 0 HB2 ASN A 16 -15.880 -20.676 0.497 1.00 74.21 H new ATOM 0 HB3 ASN A 16 -16.484 -19.604 -0.751 1.00 74.21 H new ATOM 0 HD21 ASN A 16 -13.834 -20.846 -2.766 1.00 55.15 H new ATOM 0 HD22 ASN A 16 -15.575 -20.801 -2.468 1.00 55.15 H new ATOM 274 N GLU A 17 -13.936 -16.891 -0.087 1.00 3.13 N ATOM 275 CA GLU A 17 -13.554 -15.662 -0.805 1.00 34.20 C ATOM 276 C GLU A 17 -12.618 -15.993 -1.994 1.00 52.23 C ATOM 277 O GLU A 17 -11.492 -16.458 -1.775 1.00 64.23 O ATOM 278 CB GLU A 17 -12.861 -14.674 0.165 1.00 51.45 C ATOM 279 CG GLU A 17 -12.415 -13.350 -0.486 1.00 20.41 C ATOM 280 CD GLU A 17 -11.756 -12.392 0.511 1.00 54.31 C ATOM 281 OE1 GLU A 17 -10.525 -12.487 0.732 1.00 62.14 O ATOM 282 OE2 GLU A 17 -12.469 -11.566 1.114 1.00 12.22 O ATOM 0 H GLU A 17 -13.143 -17.406 0.296 1.00 3.13 H new ATOM 0 HA GLU A 17 -14.457 -15.196 -1.199 1.00 34.20 H new ATOM 0 HB2 GLU A 17 -13.543 -14.450 0.985 1.00 51.45 H new ATOM 0 HB3 GLU A 17 -11.989 -15.162 0.600 1.00 51.45 H new ATOM 0 HG2 GLU A 17 -11.715 -13.565 -1.294 1.00 20.41 H new ATOM 0 HG3 GLU A 17 -13.280 -12.862 -0.935 1.00 20.41 H new ATOM 289 N PRO A 18 -13.091 -15.798 -3.270 1.00 53.23 N ATOM 290 CA PRO A 18 -12.216 -15.824 -4.476 1.00 1.51 C ATOM 291 C PRO A 18 -11.083 -14.761 -4.427 1.00 41.05 C ATOM 292 O PRO A 18 -11.193 -13.760 -3.717 1.00 72.35 O ATOM 293 CB PRO A 18 -13.199 -15.526 -5.646 1.00 2.21 C ATOM 294 CG PRO A 18 -14.541 -15.926 -5.116 1.00 13.22 C ATOM 295 CD PRO A 18 -14.510 -15.586 -3.645 1.00 44.41 C ATOM 0 HA PRO A 18 -11.694 -16.776 -4.571 1.00 1.51 H new ATOM 0 HB2 PRO A 18 -13.179 -14.472 -5.923 1.00 2.21 H new ATOM 0 HB3 PRO A 18 -12.939 -16.095 -6.538 1.00 2.21 H new ATOM 0 HG2 PRO A 18 -15.341 -15.389 -5.626 1.00 13.22 H new ATOM 0 HG3 PRO A 18 -14.723 -16.990 -5.269 1.00 13.22 H new ATOM 0 HD2 PRO A 18 -14.824 -14.558 -3.464 1.00 44.41 H new ATOM 0 HD3 PRO A 18 -15.177 -16.229 -3.070 1.00 44.41 H new ATOM 303 N LEU A 19 -10.021 -14.989 -5.224 1.00 41.13 N ATOM 304 CA LEU A 19 -8.846 -14.088 -5.330 1.00 21.11 C ATOM 305 C LEU A 19 -9.263 -12.658 -5.767 1.00 60.11 C ATOM 306 O LEU A 19 -8.688 -11.666 -5.313 1.00 44.13 O ATOM 307 CB LEU A 19 -7.831 -14.736 -6.335 1.00 55.51 C ATOM 308 CG LEU A 19 -6.402 -14.106 -6.480 1.00 53.34 C ATOM 309 CD1 LEU A 19 -6.379 -12.830 -7.352 1.00 1.13 C ATOM 310 CD2 LEU A 19 -5.753 -13.854 -5.102 1.00 35.41 C ATOM 0 H LEU A 19 -9.950 -15.813 -5.821 1.00 41.13 H new ATOM 0 HA LEU A 19 -8.373 -13.975 -4.355 1.00 21.11 H new ATOM 0 HB2 LEU A 19 -7.704 -15.780 -6.048 1.00 55.51 H new ATOM 0 HB3 LEU A 19 -8.295 -14.731 -7.321 1.00 55.51 H new ATOM 0 HG LEU A 19 -5.802 -14.846 -7.010 1.00 53.34 H new ATOM 0 HD11 LEU A 19 -5.360 -12.447 -7.410 1.00 1.13 H new ATOM 0 HD12 LEU A 19 -6.735 -13.068 -8.354 1.00 1.13 H new ATOM 0 HD13 LEU A 19 -7.026 -12.074 -6.907 1.00 1.13 H new ATOM 0 HD21 LEU A 19 -4.764 -13.417 -5.240 1.00 35.41 H new ATOM 0 HD22 LEU A 19 -6.375 -13.169 -4.527 1.00 35.41 H new ATOM 0 HD23 LEU A 19 -5.661 -14.798 -4.565 1.00 35.41 H new ATOM 322 N ASP A 20 -10.268 -12.577 -6.653 1.00 64.14 N ATOM 323 CA ASP A 20 -10.790 -11.296 -7.177 1.00 74.03 C ATOM 324 C ASP A 20 -11.553 -10.496 -6.080 1.00 31.44 C ATOM 325 O ASP A 20 -11.505 -9.259 -6.055 1.00 42.04 O ATOM 326 CB ASP A 20 -11.689 -11.577 -8.407 1.00 31.22 C ATOM 327 CG ASP A 20 -12.071 -10.291 -9.155 1.00 3.04 C ATOM 328 OD1 ASP A 20 -11.226 -9.768 -9.902 1.00 12.30 O ATOM 329 OD2 ASP A 20 -13.190 -9.773 -8.965 1.00 74.11 O ATOM 0 H ASP A 20 -10.745 -13.396 -7.029 1.00 64.14 H new ATOM 0 HA ASP A 20 -9.951 -10.672 -7.486 1.00 74.03 H new ATOM 0 HB2 ASP A 20 -11.169 -12.250 -9.088 1.00 31.22 H new ATOM 0 HB3 ASP A 20 -12.595 -12.089 -8.083 1.00 31.22 H new ATOM 334 N LYS A 21 -12.246 -11.218 -5.170 1.00 54.44 N ATOM 335 CA LYS A 21 -12.907 -10.598 -3.988 1.00 41.31 C ATOM 336 C LYS A 21 -11.877 -10.196 -2.903 1.00 51.32 C ATOM 337 O LYS A 21 -12.113 -9.243 -2.153 1.00 75.40 O ATOM 338 CB LYS A 21 -13.994 -11.525 -3.377 1.00 51.02 C ATOM 339 CG LYS A 21 -15.271 -11.691 -4.238 1.00 43.03 C ATOM 340 CD LYS A 21 -16.444 -12.307 -3.430 1.00 13.41 C ATOM 341 CE LYS A 21 -17.746 -12.430 -4.245 1.00 23.34 C ATOM 342 NZ LYS A 21 -18.882 -12.897 -3.408 1.00 24.40 N ATOM 0 H LYS A 21 -12.365 -12.229 -5.227 1.00 54.44 H new ATOM 0 HA LYS A 21 -13.398 -9.694 -4.348 1.00 41.31 H new ATOM 0 HB2 LYS A 21 -13.558 -12.509 -3.208 1.00 51.02 H new ATOM 0 HB3 LYS A 21 -14.280 -11.131 -2.402 1.00 51.02 H new ATOM 0 HG2 LYS A 21 -15.572 -10.720 -4.630 1.00 43.03 H new ATOM 0 HG3 LYS A 21 -15.049 -12.326 -5.096 1.00 43.03 H new ATOM 0 HD2 LYS A 21 -16.152 -13.295 -3.074 1.00 13.41 H new ATOM 0 HD3 LYS A 21 -16.631 -11.693 -2.549 1.00 13.41 H new ATOM 0 HE2 LYS A 21 -17.992 -11.463 -4.684 1.00 23.34 H new ATOM 0 HE3 LYS A 21 -17.593 -13.125 -5.070 1.00 23.34 H new ATOM 0 HZ1 LYS A 21 -19.739 -12.967 -3.993 1.00 24.40 H new ATOM 0 HZ2 LYS A 21 -18.658 -13.831 -3.009 1.00 24.40 H new ATOM 0 HZ3 LYS A 21 -19.045 -12.221 -2.635 1.00 24.40 H new ATOM 356 N LYS A 22 -10.750 -10.939 -2.810 1.00 70.53 N ATOM 357 CA LYS A 22 -9.590 -10.548 -1.960 1.00 14.10 C ATOM 358 C LYS A 22 -9.009 -9.203 -2.436 1.00 23.44 C ATOM 359 O LYS A 22 -8.759 -8.308 -1.633 1.00 62.34 O ATOM 360 CB LYS A 22 -8.471 -11.629 -2.014 1.00 35.33 C ATOM 361 CG LYS A 22 -7.145 -11.229 -1.294 1.00 31.43 C ATOM 362 CD LYS A 22 -5.922 -11.997 -1.833 1.00 24.43 C ATOM 363 CE LYS A 22 -4.583 -11.445 -1.312 1.00 22.35 C ATOM 364 NZ LYS A 22 -4.415 -11.619 0.151 1.00 71.35 N ATOM 0 H LYS A 22 -10.615 -11.816 -3.313 1.00 70.53 H new ATOM 0 HA LYS A 22 -9.946 -10.454 -0.934 1.00 14.10 H new ATOM 0 HB2 LYS A 22 -8.850 -12.548 -1.566 1.00 35.33 H new ATOM 0 HB3 LYS A 22 -8.249 -11.852 -3.058 1.00 35.33 H new ATOM 0 HG2 LYS A 22 -6.979 -10.158 -1.415 1.00 31.43 H new ATOM 0 HG3 LYS A 22 -7.245 -11.417 -0.225 1.00 31.43 H new ATOM 0 HD2 LYS A 22 -6.008 -13.047 -1.554 1.00 24.43 H new ATOM 0 HD3 LYS A 22 -5.926 -11.955 -2.922 1.00 24.43 H new ATOM 0 HE2 LYS A 22 -3.764 -11.946 -1.828 1.00 22.35 H new ATOM 0 HE3 LYS A 22 -4.513 -10.385 -1.557 1.00 22.35 H new ATOM 0 HZ1 LYS A 22 -4.350 -10.686 0.606 1.00 71.35 H new ATOM 0 HZ2 LYS A 22 -5.232 -12.136 0.535 1.00 71.35 H new ATOM 0 HZ3 LYS A 22 -3.545 -12.157 0.339 1.00 71.35 H new ATOM 378 N ARG A 23 -8.780 -9.111 -3.758 1.00 52.32 N ATOM 379 CA ARG A 23 -8.310 -7.889 -4.446 1.00 35.44 C ATOM 380 C ARG A 23 -9.206 -6.675 -4.115 1.00 20.23 C ATOM 381 O ARG A 23 -8.713 -5.622 -3.705 1.00 51.54 O ATOM 382 CB ARG A 23 -8.301 -8.160 -5.972 1.00 53.00 C ATOM 383 CG ARG A 23 -7.858 -6.976 -6.860 1.00 52.10 C ATOM 384 CD ARG A 23 -8.107 -7.249 -8.358 1.00 14.34 C ATOM 385 NE ARG A 23 -9.535 -7.505 -8.653 1.00 53.24 N ATOM 386 CZ ARG A 23 -10.448 -6.584 -8.896 1.00 63.12 C ATOM 387 NH1 ARG A 23 -10.148 -5.318 -8.913 1.00 63.11 N ATOM 388 NH2 ARG A 23 -11.666 -6.946 -9.120 1.00 14.30 N ATOM 0 H ARG A 23 -8.918 -9.897 -4.393 1.00 52.32 H new ATOM 0 HA ARG A 23 -7.305 -7.646 -4.102 1.00 35.44 H new ATOM 0 HB2 ARG A 23 -7.641 -9.005 -6.169 1.00 53.00 H new ATOM 0 HB3 ARG A 23 -9.304 -8.462 -6.275 1.00 53.00 H new ATOM 0 HG2 ARG A 23 -8.398 -6.077 -6.561 1.00 52.10 H new ATOM 0 HG3 ARG A 23 -6.798 -6.779 -6.699 1.00 52.10 H new ATOM 0 HD2 ARG A 23 -7.765 -6.395 -8.942 1.00 14.34 H new ATOM 0 HD3 ARG A 23 -7.514 -8.108 -8.672 1.00 14.34 H new ATOM 0 HE ARG A 23 -9.840 -8.478 -8.670 1.00 53.24 H new ATOM 0 HH11 ARG A 23 -9.189 -5.019 -8.736 1.00 63.11 H new ATOM 0 HH12 ARG A 23 -10.872 -4.625 -9.103 1.00 63.11 H new ATOM 0 HH21 ARG A 23 -11.914 -7.935 -9.108 1.00 14.30 H new ATOM 0 HH22 ARG A 23 -12.380 -6.243 -9.309 1.00 14.30 H new ATOM 402 N ALA A 24 -10.527 -6.861 -4.276 1.00 22.23 N ATOM 403 CA ALA A 24 -11.539 -5.834 -3.939 1.00 22.41 C ATOM 404 C ALA A 24 -11.502 -5.447 -2.434 1.00 33.13 C ATOM 405 O ALA A 24 -11.658 -4.272 -2.078 1.00 41.44 O ATOM 406 CB ALA A 24 -12.933 -6.339 -4.329 1.00 53.32 C ATOM 0 H ALA A 24 -10.927 -7.725 -4.643 1.00 22.23 H new ATOM 0 HA ALA A 24 -11.304 -4.933 -4.505 1.00 22.41 H new ATOM 0 HB1 ALA A 24 -13.677 -5.582 -4.080 1.00 53.32 H new ATOM 0 HB2 ALA A 24 -12.961 -6.538 -5.400 1.00 53.32 H new ATOM 0 HB3 ALA A 24 -13.153 -7.257 -3.784 1.00 53.32 H new ATOM 412 N ARG A 25 -11.281 -6.455 -1.562 1.00 32.11 N ATOM 413 CA ARG A 25 -11.211 -6.260 -0.097 1.00 23.51 C ATOM 414 C ARG A 25 -9.917 -5.521 0.330 1.00 13.53 C ATOM 415 O ARG A 25 -9.935 -4.754 1.293 1.00 25.43 O ATOM 416 CB ARG A 25 -11.329 -7.621 0.642 1.00 41.31 C ATOM 417 CG ARG A 25 -11.271 -7.517 2.191 1.00 62.22 C ATOM 418 CD ARG A 25 -11.405 -8.879 2.896 1.00 73.24 C ATOM 419 NE ARG A 25 -10.438 -9.870 2.384 1.00 33.41 N ATOM 420 CZ ARG A 25 -9.249 -10.126 2.873 1.00 54.11 C ATOM 421 NH1 ARG A 25 -8.772 -9.461 3.880 1.00 52.45 N ATOM 422 NH2 ARG A 25 -8.537 -11.053 2.327 1.00 23.12 N ATOM 0 H ARG A 25 -11.147 -7.423 -1.852 1.00 32.11 H new ATOM 0 HA ARG A 25 -12.054 -5.630 0.186 1.00 23.51 H new ATOM 0 HB2 ARG A 25 -12.268 -8.095 0.357 1.00 41.31 H new ATOM 0 HB3 ARG A 25 -10.526 -8.275 0.304 1.00 41.31 H new ATOM 0 HG2 ARG A 25 -10.328 -7.056 2.483 1.00 62.22 H new ATOM 0 HG3 ARG A 25 -12.068 -6.857 2.534 1.00 62.22 H new ATOM 0 HD2 ARG A 25 -11.255 -8.748 3.968 1.00 73.24 H new ATOM 0 HD3 ARG A 25 -12.418 -9.258 2.760 1.00 73.24 H new ATOM 0 HE ARG A 25 -10.724 -10.410 1.567 1.00 33.41 H new ATOM 0 HH11 ARG A 25 -9.325 -8.720 4.310 1.00 52.45 H new ATOM 0 HH12 ARG A 25 -7.844 -9.680 4.242 1.00 52.45 H new ATOM 0 HH21 ARG A 25 -8.902 -11.573 1.529 1.00 23.12 H new ATOM 0 HH22 ARG A 25 -7.609 -11.266 2.694 1.00 23.12 H new ATOM 436 N LEU A 26 -8.798 -5.750 -0.393 1.00 1.14 N ATOM 437 CA LEU A 26 -7.522 -5.054 -0.107 1.00 1.14 C ATOM 438 C LEU A 26 -7.654 -3.541 -0.394 1.00 63.34 C ATOM 439 O LEU A 26 -7.243 -2.719 0.422 1.00 4.35 O ATOM 440 CB LEU A 26 -6.335 -5.648 -0.916 1.00 31.34 C ATOM 441 CG LEU A 26 -5.951 -7.133 -0.623 1.00 54.23 C ATOM 442 CD1 LEU A 26 -4.780 -7.593 -1.519 1.00 53.33 C ATOM 443 CD2 LEU A 26 -5.618 -7.330 0.869 1.00 40.14 C ATOM 0 H LEU A 26 -8.751 -6.406 -1.173 1.00 1.14 H new ATOM 0 HA LEU A 26 -7.306 -5.203 0.951 1.00 1.14 H new ATOM 0 HB2 LEU A 26 -6.571 -5.562 -1.977 1.00 31.34 H new ATOM 0 HB3 LEU A 26 -5.457 -5.029 -0.734 1.00 31.34 H new ATOM 0 HG LEU A 26 -6.814 -7.755 -0.860 1.00 54.23 H new ATOM 0 HD11 LEU A 26 -4.535 -8.631 -1.293 1.00 53.33 H new ATOM 0 HD12 LEU A 26 -5.069 -7.508 -2.567 1.00 53.33 H new ATOM 0 HD13 LEU A 26 -3.909 -6.965 -1.331 1.00 53.33 H new ATOM 0 HD21 LEU A 26 -5.354 -8.372 1.048 1.00 40.14 H new ATOM 0 HD22 LEU A 26 -4.779 -6.691 1.142 1.00 40.14 H new ATOM 0 HD23 LEU A 26 -6.486 -7.067 1.473 1.00 40.14 H new ATOM 455 N ILE A 27 -8.261 -3.202 -1.553 1.00 25.41 N ATOM 456 CA ILE A 27 -8.607 -1.803 -1.926 1.00 62.35 C ATOM 457 C ILE A 27 -9.524 -1.142 -0.845 1.00 11.11 C ATOM 458 O ILE A 27 -9.361 0.030 -0.496 1.00 52.14 O ATOM 459 CB ILE A 27 -9.316 -1.775 -3.343 1.00 71.33 C ATOM 460 CG1 ILE A 27 -8.408 -2.451 -4.427 1.00 63.12 C ATOM 461 CG2 ILE A 27 -9.704 -0.331 -3.763 1.00 42.42 C ATOM 462 CD1 ILE A 27 -9.041 -2.640 -5.803 1.00 52.23 C ATOM 0 H ILE A 27 -8.527 -3.888 -2.260 1.00 25.41 H new ATOM 0 HA ILE A 27 -7.683 -1.227 -1.981 1.00 62.35 H new ATOM 0 HB ILE A 27 -10.240 -2.347 -3.262 1.00 71.33 H new ATOM 0 HG12 ILE A 27 -7.506 -1.851 -4.543 1.00 63.12 H new ATOM 0 HG13 ILE A 27 -8.096 -3.427 -4.055 1.00 63.12 H new ATOM 0 HG21 ILE A 27 -10.187 -0.354 -4.740 1.00 42.42 H new ATOM 0 HG22 ILE A 27 -10.390 0.090 -3.028 1.00 42.42 H new ATOM 0 HG23 ILE A 27 -8.807 0.286 -3.816 1.00 42.42 H new ATOM 0 HD11 ILE A 27 -8.323 -3.116 -6.471 1.00 52.23 H new ATOM 0 HD12 ILE A 27 -9.926 -3.270 -5.713 1.00 52.23 H new ATOM 0 HD13 ILE A 27 -9.326 -1.669 -6.209 1.00 52.23 H new ATOM 474 N TYR A 28 -10.458 -1.942 -0.313 1.00 74.11 N ATOM 475 CA TYR A 28 -11.376 -1.549 0.786 1.00 51.04 C ATOM 476 C TYR A 28 -10.611 -1.273 2.122 1.00 22.24 C ATOM 477 O TYR A 28 -10.937 -0.330 2.854 1.00 24.52 O ATOM 478 CB TYR A 28 -12.422 -2.685 0.946 1.00 3.34 C ATOM 479 CG TYR A 28 -13.443 -2.539 2.084 1.00 23.24 C ATOM 480 CD1 TYR A 28 -14.569 -1.717 1.948 1.00 42.55 C ATOM 481 CD2 TYR A 28 -13.300 -3.251 3.285 1.00 71.33 C ATOM 482 CE1 TYR A 28 -15.505 -1.611 2.965 1.00 32.20 C ATOM 483 CE2 TYR A 28 -14.235 -3.150 4.294 1.00 44.51 C ATOM 484 CZ TYR A 28 -15.335 -2.331 4.133 1.00 52.44 C ATOM 485 OH TYR A 28 -16.266 -2.236 5.148 1.00 21.13 O ATOM 0 H TYR A 28 -10.606 -2.899 -0.634 1.00 74.11 H new ATOM 0 HA TYR A 28 -11.872 -0.611 0.538 1.00 51.04 H new ATOM 0 HB2 TYR A 28 -12.971 -2.775 0.008 1.00 3.34 H new ATOM 0 HB3 TYR A 28 -11.885 -3.622 1.092 1.00 3.34 H new ATOM 0 HD1 TYR A 28 -14.710 -1.157 1.036 1.00 42.55 H new ATOM 0 HD2 TYR A 28 -12.441 -3.891 3.422 1.00 71.33 H new ATOM 0 HE1 TYR A 28 -16.364 -0.968 2.845 1.00 32.20 H new ATOM 0 HE2 TYR A 28 -14.107 -3.710 5.208 1.00 44.51 H new ATOM 0 HH TYR A 28 -15.994 -2.808 5.896 1.00 21.13 H new ATOM 495 N GLN A 29 -9.585 -2.097 2.408 1.00 12.52 N ATOM 496 CA GLN A 29 -8.728 -1.968 3.623 1.00 13.33 C ATOM 497 C GLN A 29 -7.645 -0.863 3.451 1.00 71.23 C ATOM 498 O GLN A 29 -7.024 -0.429 4.430 1.00 63.41 O ATOM 499 CB GLN A 29 -8.062 -3.338 3.932 1.00 2.21 C ATOM 500 CG GLN A 29 -9.060 -4.477 4.269 1.00 32.54 C ATOM 501 CD GLN A 29 -8.441 -5.885 4.273 1.00 23.31 C ATOM 502 OE1 GLN A 29 -8.865 -6.763 5.021 1.00 44.24 O ATOM 503 NE2 GLN A 29 -7.480 -6.139 3.399 1.00 34.03 N ATOM 0 H GLN A 29 -9.319 -2.877 1.807 1.00 12.52 H new ATOM 0 HA GLN A 29 -9.361 -1.671 4.459 1.00 13.33 H new ATOM 0 HB2 GLN A 29 -7.464 -3.639 3.072 1.00 2.21 H new ATOM 0 HB3 GLN A 29 -7.376 -3.213 4.770 1.00 2.21 H new ATOM 0 HG2 GLN A 29 -9.497 -4.283 5.249 1.00 32.54 H new ATOM 0 HG3 GLN A 29 -9.876 -4.454 3.546 1.00 32.54 H new ATOM 0 HE21 GLN A 29 -7.140 -5.399 2.786 1.00 34.03 H new ATOM 0 HE22 GLN A 29 -7.080 -7.075 3.339 1.00 34.03 H new ATOM 512 N SER A 30 -7.408 -0.449 2.193 1.00 64.54 N ATOM 513 CA SER A 30 -6.581 0.733 1.856 1.00 42.12 C ATOM 514 C SER A 30 -7.343 2.026 2.206 1.00 12.10 C ATOM 515 O SER A 30 -6.752 3.020 2.647 1.00 34.00 O ATOM 516 CB SER A 30 -6.240 0.733 0.346 1.00 14.54 C ATOM 517 OG SER A 30 -5.701 -0.508 -0.058 1.00 74.44 O ATOM 0 H SER A 30 -7.785 -0.925 1.374 1.00 64.54 H new ATOM 0 HA SER A 30 -5.658 0.687 2.434 1.00 42.12 H new ATOM 0 HB2 SER A 30 -7.139 0.947 -0.232 1.00 14.54 H new ATOM 0 HB3 SER A 30 -5.527 1.529 0.132 1.00 14.54 H new ATOM 0 HG SER A 30 -6.379 -1.208 0.043 1.00 74.44 H new ATOM 523 N ARG A 31 -8.675 1.972 1.995 1.00 24.00 N ATOM 524 CA ARG A 31 -9.601 3.083 2.289 1.00 23.13 C ATOM 525 C ARG A 31 -9.973 3.166 3.790 1.00 1.33 C ATOM 526 O ARG A 31 -10.626 4.126 4.215 1.00 51.42 O ATOM 527 CB ARG A 31 -10.880 2.952 1.428 1.00 24.02 C ATOM 528 CG ARG A 31 -10.620 2.999 -0.094 1.00 23.52 C ATOM 529 CD ARG A 31 -11.907 3.141 -0.916 1.00 2.42 C ATOM 530 NE ARG A 31 -12.616 4.393 -0.580 1.00 35.15 N ATOM 531 CZ ARG A 31 -13.678 4.863 -1.188 1.00 44.04 C ATOM 532 NH1 ARG A 31 -14.223 4.232 -2.182 1.00 35.14 N ATOM 533 NH2 ARG A 31 -14.197 5.971 -0.774 1.00 2.14 N ATOM 0 H ARG A 31 -9.140 1.149 1.613 1.00 24.00 H new ATOM 0 HA ARG A 31 -9.082 4.008 2.037 1.00 23.13 H new ATOM 0 HB2 ARG A 31 -11.376 2.013 1.673 1.00 24.02 H new ATOM 0 HB3 ARG A 31 -11.568 3.754 1.694 1.00 24.02 H new ATOM 0 HG2 ARG A 31 -9.958 3.835 -0.319 1.00 23.52 H new ATOM 0 HG3 ARG A 31 -10.100 2.090 -0.397 1.00 23.52 H new ATOM 0 HD2 ARG A 31 -11.667 3.129 -1.979 1.00 2.42 H new ATOM 0 HD3 ARG A 31 -12.559 2.288 -0.727 1.00 2.42 H new ATOM 0 HE ARG A 31 -12.245 4.942 0.196 1.00 35.15 H new ATOM 0 HH11 ARG A 31 -13.825 3.350 -2.506 1.00 35.14 H new ATOM 0 HH12 ARG A 31 -15.049 4.618 -2.639 1.00 35.14 H new ATOM 0 HH21 ARG A 31 -13.780 6.466 0.015 1.00 2.14 H new ATOM 0 HH22 ARG A 31 -15.023 6.351 -1.236 1.00 2.14 H new ATOM 547 N LYS A 32 -9.610 2.141 4.580 1.00 63.34 N ATOM 548 CA LYS A 32 -9.656 2.228 6.051 1.00 43.40 C ATOM 549 C LYS A 32 -8.230 2.465 6.585 1.00 31.05 C ATOM 550 O LYS A 32 -7.384 1.567 6.528 1.00 15.13 O ATOM 551 CB LYS A 32 -10.259 0.937 6.659 1.00 32.13 C ATOM 552 CG LYS A 32 -11.728 0.702 6.259 1.00 54.21 C ATOM 553 CD LYS A 32 -12.411 -0.370 7.126 1.00 34.53 C ATOM 554 CE LYS A 32 -13.918 -0.471 6.851 1.00 14.30 C ATOM 555 NZ LYS A 32 -14.623 0.820 7.072 1.00 14.15 N ATOM 0 H LYS A 32 -9.282 1.243 4.225 1.00 63.34 H new ATOM 0 HA LYS A 32 -10.296 3.061 6.343 1.00 43.40 H new ATOM 0 HB2 LYS A 32 -9.662 0.082 6.342 1.00 32.13 H new ATOM 0 HB3 LYS A 32 -10.190 0.989 7.746 1.00 32.13 H new ATOM 0 HG2 LYS A 32 -12.279 1.639 6.345 1.00 54.21 H new ATOM 0 HG3 LYS A 32 -11.772 0.401 5.212 1.00 54.21 H new ATOM 0 HD2 LYS A 32 -11.944 -1.337 6.938 1.00 34.53 H new ATOM 0 HD3 LYS A 32 -12.251 -0.138 8.179 1.00 34.53 H new ATOM 0 HE2 LYS A 32 -14.076 -0.797 5.823 1.00 14.30 H new ATOM 0 HE3 LYS A 32 -14.352 -1.234 7.497 1.00 14.30 H new ATOM 0 HZ1 LYS A 32 -15.645 0.647 7.158 1.00 14.15 H new ATOM 0 HZ2 LYS A 32 -14.272 1.262 7.945 1.00 14.15 H new ATOM 0 HZ3 LYS A 32 -14.446 1.454 6.267 1.00 14.15 H new ATOM 569 N ARG A 33 -7.996 3.660 7.159 1.00 40.54 N ATOM 570 CA ARG A 33 -6.656 4.107 7.601 1.00 1.22 C ATOM 571 C ARG A 33 -6.776 5.082 8.800 1.00 34.41 C ATOM 572 O ARG A 33 -7.837 5.692 9.010 1.00 23.45 O ATOM 573 CB ARG A 33 -5.870 4.767 6.394 1.00 21.22 C ATOM 574 CG ARG A 33 -4.468 4.150 6.137 1.00 11.42 C ATOM 575 CD ARG A 33 -4.535 2.667 5.689 1.00 13.43 C ATOM 576 NE ARG A 33 -3.339 1.899 6.090 1.00 43.53 N ATOM 577 CZ ARG A 33 -3.348 0.626 6.440 1.00 23.33 C ATOM 578 NH1 ARG A 33 -4.438 -0.093 6.380 1.00 1.34 N ATOM 579 NH2 ARG A 33 -2.255 0.072 6.845 1.00 74.30 N ATOM 0 H ARG A 33 -8.731 4.346 7.331 1.00 40.54 H new ATOM 0 HA ARG A 33 -6.088 3.239 7.936 1.00 1.22 H new ATOM 0 HB2 ARG A 33 -6.469 4.671 5.488 1.00 21.22 H new ATOM 0 HB3 ARG A 33 -5.756 5.833 6.589 1.00 21.22 H new ATOM 0 HG2 ARG A 33 -3.955 4.733 5.372 1.00 11.42 H new ATOM 0 HG3 ARG A 33 -3.872 4.223 7.047 1.00 11.42 H new ATOM 0 HD2 ARG A 33 -5.422 2.201 6.118 1.00 13.43 H new ATOM 0 HD3 ARG A 33 -4.644 2.623 4.605 1.00 13.43 H new ATOM 0 HE ARG A 33 -2.443 2.386 6.097 1.00 43.53 H new ATOM 0 HH11 ARG A 33 -5.309 0.328 6.057 1.00 1.34 H new ATOM 0 HH12 ARG A 33 -4.417 -1.075 6.656 1.00 1.34 H new ATOM 0 HH21 ARG A 33 -1.394 0.617 6.893 1.00 74.30 H new ATOM 0 HH22 ARG A 33 -2.252 -0.911 7.118 1.00 74.30 H new ATOM 593 N GLY A 34 -5.678 5.221 9.575 1.00 32.14 N ATOM 594 CA GLY A 34 -5.639 6.138 10.729 1.00 72.24 C ATOM 595 C GLY A 34 -5.648 7.621 10.328 1.00 75.15 C ATOM 596 O GLY A 34 -6.174 8.468 11.064 1.00 30.05 O ATOM 0 H GLY A 34 -4.809 4.709 9.420 1.00 32.14 H new ATOM 0 HA2 GLY A 34 -6.496 5.938 11.372 1.00 72.24 H new ATOM 0 HA3 GLY A 34 -4.744 5.933 11.317 1.00 72.24 H new ATOM 600 N ILE A 35 -5.053 7.936 9.149 1.00 25.31 N ATOM 601 CA ILE A 35 -5.002 9.317 8.605 1.00 31.31 C ATOM 602 C ILE A 35 -5.450 9.371 7.125 1.00 62.35 C ATOM 603 O ILE A 35 -5.291 8.403 6.368 1.00 71.22 O ATOM 604 CB ILE A 35 -3.565 9.952 8.722 1.00 0.10 C ATOM 605 CG1 ILE A 35 -2.508 9.096 7.955 1.00 5.31 C ATOM 606 CG2 ILE A 35 -3.170 10.154 10.203 1.00 30.32 C ATOM 607 CD1 ILE A 35 -1.113 9.688 7.903 1.00 63.03 C ATOM 0 H ILE A 35 -4.598 7.245 8.553 1.00 25.31 H new ATOM 0 HA ILE A 35 -5.696 9.897 9.214 1.00 31.31 H new ATOM 0 HB ILE A 35 -3.589 10.935 8.252 1.00 0.10 H new ATOM 0 HG12 ILE A 35 -2.451 8.113 8.423 1.00 5.31 H new ATOM 0 HG13 ILE A 35 -2.859 8.943 6.934 1.00 5.31 H new ATOM 0 HG21 ILE A 35 -2.174 10.594 10.257 1.00 30.32 H new ATOM 0 HG22 ILE A 35 -3.887 10.820 10.683 1.00 30.32 H new ATOM 0 HG23 ILE A 35 -3.170 9.191 10.714 1.00 30.32 H new ATOM 0 HD11 ILE A 35 -0.454 9.019 7.349 1.00 63.03 H new ATOM 0 HD12 ILE A 35 -1.147 10.657 7.405 1.00 63.03 H new ATOM 0 HD13 ILE A 35 -0.733 9.814 8.917 1.00 63.03 H new ATOM 619 N LEU A 36 -6.000 10.538 6.731 1.00 14.12 N ATOM 620 CA LEU A 36 -6.450 10.816 5.345 1.00 74.01 C ATOM 621 C LEU A 36 -5.267 11.047 4.365 1.00 71.12 C ATOM 622 O LEU A 36 -5.437 10.926 3.148 1.00 0.52 O ATOM 623 CB LEU A 36 -7.454 12.012 5.320 1.00 50.42 C ATOM 624 CG LEU A 36 -8.903 11.729 5.857 1.00 63.44 C ATOM 625 CD1 LEU A 36 -9.590 10.602 5.062 1.00 42.40 C ATOM 626 CD2 LEU A 36 -8.923 11.437 7.372 1.00 42.31 C ATOM 0 H LEU A 36 -6.147 11.321 7.368 1.00 14.12 H new ATOM 0 HA LEU A 36 -6.968 9.924 4.992 1.00 74.01 H new ATOM 0 HB2 LEU A 36 -7.027 12.827 5.905 1.00 50.42 H new ATOM 0 HB3 LEU A 36 -7.535 12.366 4.292 1.00 50.42 H new ATOM 0 HG LEU A 36 -9.476 12.644 5.704 1.00 63.44 H new ATOM 0 HD11 LEU A 36 -10.590 10.433 5.461 1.00 42.40 H new ATOM 0 HD12 LEU A 36 -9.661 10.888 4.013 1.00 42.40 H new ATOM 0 HD13 LEU A 36 -9.005 9.686 5.149 1.00 42.40 H new ATOM 0 HD21 LEU A 36 -9.948 11.248 7.693 1.00 42.31 H new ATOM 0 HD22 LEU A 36 -8.310 10.561 7.582 1.00 42.31 H new ATOM 0 HD23 LEU A 36 -8.526 12.296 7.913 1.00 42.31 H new ATOM 638 N GLU A 37 -4.078 11.369 4.906 1.00 51.21 N ATOM 639 CA GLU A 37 -2.840 11.556 4.101 1.00 75.13 C ATOM 640 C GLU A 37 -2.421 10.224 3.424 1.00 12.01 C ATOM 641 O GLU A 37 -2.237 10.153 2.206 1.00 14.14 O ATOM 642 CB GLU A 37 -1.676 12.098 4.996 1.00 12.02 C ATOM 643 CG GLU A 37 -1.822 13.558 5.498 1.00 14.12 C ATOM 644 CD GLU A 37 -3.092 13.830 6.330 1.00 54.23 C ATOM 645 OE1 GLU A 37 -3.320 13.117 7.336 1.00 54.01 O ATOM 646 OE2 GLU A 37 -3.881 14.735 5.971 1.00 60.53 O ATOM 0 H GLU A 37 -3.940 11.508 5.907 1.00 51.21 H new ATOM 0 HA GLU A 37 -3.049 12.290 3.323 1.00 75.13 H new ATOM 0 HB2 GLU A 37 -1.578 11.445 5.864 1.00 12.02 H new ATOM 0 HB3 GLU A 37 -0.746 12.021 4.433 1.00 12.02 H new ATOM 0 HG2 GLU A 37 -0.949 13.810 6.100 1.00 14.12 H new ATOM 0 HG3 GLU A 37 -1.819 14.226 4.637 1.00 14.12 H new ATOM 653 N THR A 38 -2.304 9.163 4.238 1.00 22.11 N ATOM 654 CA THR A 38 -1.973 7.800 3.758 1.00 73.10 C ATOM 655 C THR A 38 -3.170 7.158 3.030 1.00 44.11 C ATOM 656 O THR A 38 -2.985 6.288 2.182 1.00 14.43 O ATOM 657 CB THR A 38 -1.498 6.876 4.910 1.00 50.34 C ATOM 658 OG1 THR A 38 -0.493 7.556 5.654 1.00 64.33 O ATOM 659 CG2 THR A 38 -0.923 5.540 4.397 1.00 20.33 C ATOM 0 H THR A 38 -2.435 9.219 5.248 1.00 22.11 H new ATOM 0 HA THR A 38 -1.149 7.910 3.053 1.00 73.10 H new ATOM 0 HB THR A 38 -2.364 6.644 5.529 1.00 50.34 H new ATOM 0 HG1 THR A 38 0.174 6.911 5.969 1.00 64.33 H new ATOM 0 HG21 THR A 38 -0.606 4.931 5.244 1.00 20.33 H new ATOM 0 HG22 THR A 38 -1.689 5.007 3.834 1.00 20.33 H new ATOM 0 HG23 THR A 38 -0.068 5.736 3.751 1.00 20.33 H new ATOM 667 N ASP A 39 -4.398 7.550 3.415 1.00 55.32 N ATOM 668 CA ASP A 39 -5.628 7.138 2.704 1.00 10.24 C ATOM 669 C ASP A 39 -5.566 7.523 1.194 1.00 74.43 C ATOM 670 O ASP A 39 -5.817 6.685 0.341 1.00 11.52 O ATOM 671 CB ASP A 39 -6.865 7.763 3.392 1.00 12.43 C ATOM 672 CG ASP A 39 -8.190 7.366 2.727 1.00 43.43 C ATOM 673 OD1 ASP A 39 -8.669 6.250 2.975 1.00 2.22 O ATOM 674 OD2 ASP A 39 -8.745 8.166 1.947 1.00 53.31 O ATOM 0 H ASP A 39 -4.568 8.155 4.219 1.00 55.32 H new ATOM 0 HA ASP A 39 -5.712 6.052 2.754 1.00 10.24 H new ATOM 0 HB2 ASP A 39 -6.885 7.457 4.438 1.00 12.43 H new ATOM 0 HB3 ASP A 39 -6.770 8.849 3.379 1.00 12.43 H new ATOM 679 N LEU A 40 -5.196 8.786 0.882 1.00 44.51 N ATOM 680 CA LEU A 40 -4.979 9.252 -0.525 1.00 13.53 C ATOM 681 C LEU A 40 -3.881 8.419 -1.243 1.00 21.32 C ATOM 682 O LEU A 40 -4.007 8.076 -2.428 1.00 53.01 O ATOM 683 CB LEU A 40 -4.576 10.756 -0.534 1.00 71.24 C ATOM 684 CG LEU A 40 -5.679 11.767 -0.090 1.00 72.14 C ATOM 685 CD1 LEU A 40 -5.112 13.197 0.059 1.00 44.33 C ATOM 686 CD2 LEU A 40 -6.880 11.741 -1.066 1.00 23.31 C ATOM 0 H LEU A 40 -5.039 9.510 1.583 1.00 44.51 H new ATOM 0 HA LEU A 40 -5.917 9.116 -1.064 1.00 13.53 H new ATOM 0 HB2 LEU A 40 -3.712 10.883 0.118 1.00 71.24 H new ATOM 0 HB3 LEU A 40 -4.256 11.019 -1.542 1.00 71.24 H new ATOM 0 HG LEU A 40 -6.036 11.454 0.891 1.00 72.14 H new ATOM 0 HD11 LEU A 40 -5.908 13.874 0.369 1.00 44.33 H new ATOM 0 HD12 LEU A 40 -4.322 13.199 0.809 1.00 44.33 H new ATOM 0 HD13 LEU A 40 -4.706 13.529 -0.897 1.00 44.33 H new ATOM 0 HD21 LEU A 40 -7.634 12.454 -0.734 1.00 23.31 H new ATOM 0 HD22 LEU A 40 -6.542 12.010 -2.067 1.00 23.31 H new ATOM 0 HD23 LEU A 40 -7.311 10.740 -1.086 1.00 23.31 H new ATOM 698 N LEU A 41 -2.816 8.105 -0.490 1.00 21.22 N ATOM 699 CA LEU A 41 -1.653 7.331 -0.972 1.00 52.22 C ATOM 700 C LEU A 41 -2.049 5.889 -1.399 1.00 13.44 C ATOM 701 O LEU A 41 -1.875 5.505 -2.557 1.00 64.32 O ATOM 702 CB LEU A 41 -0.573 7.328 0.147 1.00 32.34 C ATOM 703 CG LEU A 41 0.773 6.601 -0.149 1.00 72.23 C ATOM 704 CD1 LEU A 41 1.517 7.221 -1.355 1.00 14.44 C ATOM 705 CD2 LEU A 41 1.664 6.584 1.114 1.00 55.33 C ATOM 0 H LEU A 41 -2.734 8.385 0.487 1.00 21.22 H new ATOM 0 HA LEU A 41 -1.250 7.802 -1.868 1.00 52.22 H new ATOM 0 HB2 LEU A 41 -0.347 8.364 0.398 1.00 32.34 H new ATOM 0 HB3 LEU A 41 -1.012 6.874 1.035 1.00 32.34 H new ATOM 0 HG LEU A 41 0.540 5.572 -0.422 1.00 72.23 H new ATOM 0 HD11 LEU A 41 2.449 6.682 -1.524 1.00 14.44 H new ATOM 0 HD12 LEU A 41 0.891 7.150 -2.244 1.00 14.44 H new ATOM 0 HD13 LEU A 41 1.736 8.269 -1.148 1.00 14.44 H new ATOM 0 HD21 LEU A 41 2.601 6.073 0.892 1.00 55.33 H new ATOM 0 HD22 LEU A 41 1.874 7.607 1.425 1.00 55.33 H new ATOM 0 HD23 LEU A 41 1.146 6.060 1.917 1.00 55.33 H new ATOM 717 N LEU A 42 -2.625 5.130 -0.454 1.00 1.13 N ATOM 718 CA LEU A 42 -2.971 3.701 -0.637 1.00 33.53 C ATOM 719 C LEU A 42 -4.225 3.470 -1.502 1.00 45.12 C ATOM 720 O LEU A 42 -4.261 2.504 -2.246 1.00 23.45 O ATOM 721 CB LEU A 42 -3.144 3.011 0.739 1.00 74.12 C ATOM 722 CG LEU A 42 -1.846 2.894 1.599 1.00 20.34 C ATOM 723 CD1 LEU A 42 -2.112 2.149 2.920 1.00 54.52 C ATOM 724 CD2 LEU A 42 -0.702 2.225 0.799 1.00 42.44 C ATOM 0 H LEU A 42 -2.868 5.489 0.469 1.00 1.13 H new ATOM 0 HA LEU A 42 -2.137 3.256 -1.180 1.00 33.53 H new ATOM 0 HB2 LEU A 42 -3.890 3.562 1.311 1.00 74.12 H new ATOM 0 HB3 LEU A 42 -3.543 2.010 0.576 1.00 74.12 H new ATOM 0 HG LEU A 42 -1.527 3.905 1.851 1.00 20.34 H new ATOM 0 HD11 LEU A 42 -1.188 2.085 3.494 1.00 54.52 H new ATOM 0 HD12 LEU A 42 -2.862 2.689 3.498 1.00 54.52 H new ATOM 0 HD13 LEU A 42 -2.475 1.144 2.704 1.00 54.52 H new ATOM 0 HD21 LEU A 42 0.188 2.158 1.424 1.00 42.44 H new ATOM 0 HD22 LEU A 42 -1.008 1.224 0.494 1.00 42.44 H new ATOM 0 HD23 LEU A 42 -0.480 2.821 -0.086 1.00 42.44 H new ATOM 736 N SER A 43 -5.253 4.332 -1.379 1.00 70.42 N ATOM 737 CA SER A 43 -6.523 4.190 -2.154 1.00 64.21 C ATOM 738 C SER A 43 -6.291 4.377 -3.673 1.00 12.51 C ATOM 739 O SER A 43 -6.853 3.636 -4.488 1.00 15.24 O ATOM 740 CB SER A 43 -7.594 5.191 -1.656 1.00 45.44 C ATOM 741 OG SER A 43 -7.984 4.917 -0.316 1.00 4.45 O ATOM 0 H SER A 43 -5.239 5.137 -0.753 1.00 70.42 H new ATOM 0 HA SER A 43 -6.885 3.175 -1.988 1.00 64.21 H new ATOM 0 HB2 SER A 43 -7.202 6.206 -1.721 1.00 45.44 H new ATOM 0 HB3 SER A 43 -8.467 5.144 -2.307 1.00 45.44 H new ATOM 0 HG SER A 43 -7.410 5.417 0.301 1.00 4.45 H new ATOM 747 N GLY A 44 -5.467 5.380 -4.038 1.00 3.43 N ATOM 748 CA GLY A 44 -5.050 5.586 -5.437 1.00 72.43 C ATOM 749 C GLY A 44 -4.117 4.475 -5.942 1.00 54.14 C ATOM 750 O GLY A 44 -4.239 4.012 -7.083 1.00 24.13 O ATOM 0 H GLY A 44 -5.078 6.059 -3.383 1.00 3.43 H new ATOM 0 HA2 GLY A 44 -5.934 5.631 -6.073 1.00 72.43 H new ATOM 0 HA3 GLY A 44 -4.545 6.548 -5.524 1.00 72.43 H new ATOM 754 N PHE A 45 -3.177 4.055 -5.065 1.00 61.53 N ATOM 755 CA PHE A 45 -2.235 2.938 -5.328 1.00 12.24 C ATOM 756 C PHE A 45 -3.005 1.613 -5.534 1.00 0.43 C ATOM 757 O PHE A 45 -2.618 0.776 -6.338 1.00 61.05 O ATOM 758 CB PHE A 45 -1.239 2.819 -4.137 1.00 4.35 C ATOM 759 CG PHE A 45 -0.042 1.889 -4.359 1.00 52.13 C ATOM 760 CD1 PHE A 45 -0.131 0.524 -4.096 1.00 74.44 C ATOM 761 CD2 PHE A 45 1.177 2.382 -4.822 1.00 45.10 C ATOM 762 CE1 PHE A 45 0.951 -0.314 -4.288 1.00 13.32 C ATOM 763 CE2 PHE A 45 2.256 1.541 -5.012 1.00 63.13 C ATOM 764 CZ PHE A 45 2.145 0.196 -4.747 1.00 3.23 C ATOM 0 H PHE A 45 -3.048 4.483 -4.148 1.00 61.53 H new ATOM 0 HA PHE A 45 -1.678 3.143 -6.242 1.00 12.24 H new ATOM 0 HB2 PHE A 45 -0.863 3.815 -3.902 1.00 4.35 H new ATOM 0 HB3 PHE A 45 -1.788 2.471 -3.262 1.00 4.35 H new ATOM 0 HD1 PHE A 45 -1.062 0.113 -3.736 1.00 74.44 H new ATOM 0 HD2 PHE A 45 1.279 3.436 -5.035 1.00 45.10 H new ATOM 0 HE1 PHE A 45 0.860 -1.369 -4.078 1.00 13.32 H new ATOM 0 HE2 PHE A 45 3.192 1.942 -5.371 1.00 63.13 H new ATOM 0 HZ PHE A 45 2.991 -0.458 -4.898 1.00 3.23 H new ATOM 774 N ALA A 46 -4.106 1.453 -4.797 1.00 60.31 N ATOM 775 CA ALA A 46 -4.946 0.249 -4.855 1.00 4.35 C ATOM 776 C ALA A 46 -5.787 0.199 -6.145 1.00 13.22 C ATOM 777 O ALA A 46 -5.929 -0.856 -6.766 1.00 71.55 O ATOM 778 CB ALA A 46 -5.827 0.168 -3.607 1.00 41.13 C ATOM 0 H ALA A 46 -4.444 2.156 -4.140 1.00 60.31 H new ATOM 0 HA ALA A 46 -4.293 -0.623 -4.876 1.00 4.35 H new ATOM 0 HB1 ALA A 46 -6.447 -0.727 -3.657 1.00 41.13 H new ATOM 0 HB2 ALA A 46 -5.197 0.124 -2.719 1.00 41.13 H new ATOM 0 HB3 ALA A 46 -6.466 1.050 -3.555 1.00 41.13 H new ATOM 784 N ALA A 47 -6.324 1.359 -6.547 1.00 32.31 N ATOM 785 CA ALA A 47 -7.123 1.486 -7.789 1.00 34.42 C ATOM 786 C ALA A 47 -6.263 1.249 -9.058 1.00 1.50 C ATOM 787 O ALA A 47 -6.717 0.628 -10.025 1.00 3.41 O ATOM 788 CB ALA A 47 -7.788 2.869 -7.836 1.00 61.23 C ATOM 0 H ALA A 47 -6.222 2.233 -6.031 1.00 32.31 H new ATOM 0 HA ALA A 47 -7.893 0.714 -7.776 1.00 34.42 H new ATOM 0 HB1 ALA A 47 -8.375 2.960 -8.750 1.00 61.23 H new ATOM 0 HB2 ALA A 47 -8.442 2.988 -6.972 1.00 61.23 H new ATOM 0 HB3 ALA A 47 -7.020 3.643 -7.819 1.00 61.23 H new ATOM 794 N LYS A 48 -5.013 1.749 -9.031 1.00 61.01 N ATOM 795 CA LYS A 48 -4.072 1.657 -10.166 1.00 44.24 C ATOM 796 C LYS A 48 -3.341 0.292 -10.224 1.00 30.14 C ATOM 797 O LYS A 48 -3.380 -0.406 -11.246 1.00 65.23 O ATOM 798 CB LYS A 48 -3.038 2.819 -10.083 1.00 14.13 C ATOM 799 CG LYS A 48 -1.876 2.730 -11.106 1.00 65.55 C ATOM 800 CD LYS A 48 -0.966 3.981 -11.110 1.00 40.12 C ATOM 801 CE LYS A 48 -1.668 5.216 -11.700 1.00 43.41 C ATOM 802 NZ LYS A 48 -2.086 4.992 -13.112 1.00 33.01 N ATOM 0 H LYS A 48 -4.625 2.230 -8.219 1.00 61.01 H new ATOM 0 HA LYS A 48 -4.655 1.742 -11.083 1.00 44.24 H new ATOM 0 HB2 LYS A 48 -3.562 3.764 -10.230 1.00 14.13 H new ATOM 0 HB3 LYS A 48 -2.617 2.841 -9.078 1.00 14.13 H new ATOM 0 HG2 LYS A 48 -1.272 1.851 -10.883 1.00 65.55 H new ATOM 0 HG3 LYS A 48 -2.290 2.588 -12.104 1.00 65.55 H new ATOM 0 HD2 LYS A 48 -0.649 4.199 -10.090 1.00 40.12 H new ATOM 0 HD3 LYS A 48 -0.065 3.769 -11.685 1.00 40.12 H new ATOM 0 HE2 LYS A 48 -2.542 5.460 -11.096 1.00 43.41 H new ATOM 0 HE3 LYS A 48 -0.997 6.074 -11.651 1.00 43.41 H new ATOM 0 HZ1 LYS A 48 -2.303 5.906 -13.559 1.00 33.01 H new ATOM 0 HZ2 LYS A 48 -1.316 4.526 -13.632 1.00 33.01 H new ATOM 0 HZ3 LYS A 48 -2.932 4.388 -13.132 1.00 33.01 H new ATOM 816 N TYR A 49 -2.672 -0.076 -9.123 1.00 70.33 N ATOM 817 CA TYR A 49 -1.782 -1.254 -9.087 1.00 54.10 C ATOM 818 C TYR A 49 -2.560 -2.578 -8.969 1.00 54.15 C ATOM 819 O TYR A 49 -2.309 -3.484 -9.759 1.00 11.44 O ATOM 820 CB TYR A 49 -0.730 -1.130 -7.958 1.00 72.25 C ATOM 821 CG TYR A 49 0.367 -0.081 -8.232 1.00 3.01 C ATOM 822 CD1 TYR A 49 0.100 1.291 -8.170 1.00 3.22 C ATOM 823 CD2 TYR A 49 1.679 -0.465 -8.549 1.00 53.03 C ATOM 824 CE1 TYR A 49 1.091 2.229 -8.407 1.00 23.42 C ATOM 825 CE2 TYR A 49 2.665 0.473 -8.787 1.00 32.15 C ATOM 826 CZ TYR A 49 2.370 1.816 -8.714 1.00 71.21 C ATOM 827 OH TYR A 49 3.361 2.742 -8.946 1.00 0.34 O ATOM 0 H TYR A 49 -2.728 0.427 -8.237 1.00 70.33 H new ATOM 0 HA TYR A 49 -1.258 -1.276 -10.043 1.00 54.10 H new ATOM 0 HB2 TYR A 49 -1.239 -0.874 -7.029 1.00 72.25 H new ATOM 0 HB3 TYR A 49 -0.259 -2.101 -7.806 1.00 72.25 H new ATOM 0 HD1 TYR A 49 -0.899 1.625 -7.933 1.00 3.22 H new ATOM 0 HD2 TYR A 49 1.923 -1.515 -8.608 1.00 53.03 H new ATOM 0 HE1 TYR A 49 0.862 3.283 -8.351 1.00 23.42 H new ATOM 0 HE2 TYR A 49 3.667 0.153 -9.030 1.00 32.15 H new ATOM 0 HH TYR A 49 3.904 2.850 -8.137 1.00 0.34 H new ATOM 837 N LEU A 50 -3.517 -2.690 -8.009 1.00 33.44 N ATOM 838 CA LEU A 50 -4.270 -3.970 -7.792 1.00 40.11 C ATOM 839 C LEU A 50 -5.076 -4.426 -9.022 1.00 33.44 C ATOM 840 O LEU A 50 -5.394 -5.615 -9.142 1.00 71.04 O ATOM 841 CB LEU A 50 -5.188 -3.943 -6.540 1.00 50.51 C ATOM 842 CG LEU A 50 -4.491 -4.265 -5.186 1.00 14.31 C ATOM 843 CD1 LEU A 50 -3.649 -3.096 -4.679 1.00 4.15 C ATOM 844 CD2 LEU A 50 -5.514 -4.703 -4.131 1.00 35.45 C ATOM 0 H LEU A 50 -3.786 -1.932 -7.382 1.00 33.44 H new ATOM 0 HA LEU A 50 -3.485 -4.705 -7.616 1.00 40.11 H new ATOM 0 HB2 LEU A 50 -5.644 -2.956 -6.467 1.00 50.51 H new ATOM 0 HB3 LEU A 50 -5.997 -4.657 -6.690 1.00 50.51 H new ATOM 0 HG LEU A 50 -3.809 -5.096 -5.368 1.00 14.31 H new ATOM 0 HD11 LEU A 50 -3.182 -3.367 -3.732 1.00 4.15 H new ATOM 0 HD12 LEU A 50 -2.876 -2.860 -5.410 1.00 4.15 H new ATOM 0 HD13 LEU A 50 -4.287 -2.225 -4.532 1.00 4.15 H new ATOM 0 HD21 LEU A 50 -5.000 -4.922 -3.195 1.00 35.45 H new ATOM 0 HD22 LEU A 50 -6.236 -3.903 -3.970 1.00 35.45 H new ATOM 0 HD23 LEU A 50 -6.034 -5.596 -4.477 1.00 35.45 H new ATOM 856 N LYS A 51 -5.408 -3.493 -9.921 1.00 50.31 N ATOM 857 CA LYS A 51 -6.079 -3.825 -11.194 1.00 22.31 C ATOM 858 C LYS A 51 -5.174 -4.708 -12.105 1.00 11.21 C ATOM 859 O LYS A 51 -5.670 -5.582 -12.821 1.00 70.05 O ATOM 860 CB LYS A 51 -6.512 -2.525 -11.919 1.00 41.04 C ATOM 861 CG LYS A 51 -7.310 -2.711 -13.252 1.00 64.45 C ATOM 862 CD LYS A 51 -8.786 -3.210 -13.090 1.00 22.25 C ATOM 863 CE LYS A 51 -8.931 -4.715 -12.756 1.00 72.21 C ATOM 864 NZ LYS A 51 -10.337 -5.162 -12.758 1.00 10.14 N ATOM 0 H LYS A 51 -5.225 -2.498 -9.795 1.00 50.31 H new ATOM 0 HA LYS A 51 -6.970 -4.411 -10.970 1.00 22.31 H new ATOM 0 HB2 LYS A 51 -7.122 -1.937 -11.233 1.00 41.04 H new ATOM 0 HB3 LYS A 51 -5.619 -1.938 -12.133 1.00 41.04 H new ATOM 0 HG2 LYS A 51 -7.323 -1.759 -13.783 1.00 64.45 H new ATOM 0 HG3 LYS A 51 -6.772 -3.420 -13.881 1.00 64.45 H new ATOM 0 HD2 LYS A 51 -9.266 -2.630 -12.302 1.00 22.25 H new ATOM 0 HD3 LYS A 51 -9.328 -3.004 -14.013 1.00 22.25 H new ATOM 0 HE2 LYS A 51 -8.366 -5.301 -13.481 1.00 72.21 H new ATOM 0 HE3 LYS A 51 -8.493 -4.910 -11.777 1.00 72.21 H new ATOM 0 HZ1 LYS A 51 -10.379 -6.176 -12.529 1.00 10.14 H new ATOM 0 HZ2 LYS A 51 -10.873 -4.624 -12.048 1.00 10.14 H new ATOM 0 HZ3 LYS A 51 -10.751 -5.002 -13.699 1.00 10.14 H new ATOM 878 N LYS A 52 -3.845 -4.489 -12.037 1.00 22.44 N ATOM 879 CA LYS A 52 -2.841 -5.250 -12.836 1.00 43.04 C ATOM 880 C LYS A 52 -1.831 -6.024 -11.934 1.00 53.41 C ATOM 881 O LYS A 52 -0.805 -6.516 -12.420 1.00 54.22 O ATOM 882 CB LYS A 52 -2.070 -4.270 -13.762 1.00 2.42 C ATOM 883 CG LYS A 52 -2.976 -3.423 -14.691 1.00 44.20 C ATOM 884 CD LYS A 52 -2.177 -2.444 -15.586 1.00 4.02 C ATOM 885 CE LYS A 52 -1.280 -1.489 -14.772 1.00 72.14 C ATOM 886 NZ LYS A 52 -2.052 -0.703 -13.767 1.00 34.43 N ATOM 0 H LYS A 52 -3.430 -3.782 -11.430 1.00 22.44 H new ATOM 0 HA LYS A 52 -3.380 -5.989 -13.429 1.00 43.04 H new ATOM 0 HB2 LYS A 52 -1.474 -3.598 -13.144 1.00 2.42 H new ATOM 0 HB3 LYS A 52 -1.373 -4.841 -14.376 1.00 2.42 H new ATOM 0 HG2 LYS A 52 -3.562 -4.089 -15.324 1.00 44.20 H new ATOM 0 HG3 LYS A 52 -3.682 -2.857 -14.083 1.00 44.20 H new ATOM 0 HD2 LYS A 52 -1.558 -3.014 -16.279 1.00 4.02 H new ATOM 0 HD3 LYS A 52 -2.872 -1.858 -16.187 1.00 4.02 H new ATOM 0 HE2 LYS A 52 -0.508 -2.066 -14.263 1.00 72.14 H new ATOM 0 HE3 LYS A 52 -0.771 -0.805 -15.451 1.00 72.14 H new ATOM 0 HZ1 LYS A 52 -1.506 0.138 -13.490 1.00 34.43 H new ATOM 0 HZ2 LYS A 52 -2.959 -0.407 -14.180 1.00 34.43 H new ATOM 0 HZ3 LYS A 52 -2.230 -1.292 -12.928 1.00 34.43 H new ATOM 900 N MET A 53 -2.121 -6.123 -10.625 1.00 43.13 N ATOM 901 CA MET A 53 -1.238 -6.770 -9.648 1.00 52.31 C ATOM 902 C MET A 53 -1.447 -8.299 -9.630 1.00 72.41 C ATOM 903 O MET A 53 -2.585 -8.775 -9.596 1.00 74.14 O ATOM 904 CB MET A 53 -1.516 -6.160 -8.255 1.00 43.24 C ATOM 905 CG MET A 53 -0.647 -6.698 -7.143 1.00 23.24 C ATOM 906 SD MET A 53 -0.909 -5.884 -5.547 1.00 20.12 S ATOM 907 CE MET A 53 -0.317 -4.227 -5.870 1.00 51.33 C ATOM 0 H MET A 53 -2.979 -5.754 -10.216 1.00 43.13 H new ATOM 0 HA MET A 53 -0.199 -6.594 -9.928 1.00 52.31 H new ATOM 0 HB2 MET A 53 -1.380 -5.080 -8.313 1.00 43.24 H new ATOM 0 HB3 MET A 53 -2.561 -6.336 -7.999 1.00 43.24 H new ATOM 0 HG2 MET A 53 -0.837 -7.765 -7.031 1.00 23.24 H new ATOM 0 HG3 MET A 53 0.399 -6.589 -7.428 1.00 23.24 H new ATOM 0 HE1 MET A 53 -0.170 -3.703 -4.926 1.00 51.33 H new ATOM 0 HE2 MET A 53 0.629 -4.277 -6.409 1.00 51.33 H new ATOM 0 HE3 MET A 53 -1.049 -3.690 -6.473 1.00 51.33 H new ATOM 917 N ASN A 54 -0.337 -9.056 -9.653 1.00 52.31 N ATOM 918 CA ASN A 54 -0.375 -10.533 -9.618 1.00 70.02 C ATOM 919 C ASN A 54 -0.713 -11.064 -8.206 1.00 33.55 C ATOM 920 O ASN A 54 -0.557 -10.354 -7.209 1.00 74.21 O ATOM 921 CB ASN A 54 0.968 -11.128 -10.119 1.00 52.41 C ATOM 922 CG ASN A 54 1.287 -10.763 -11.573 1.00 30.32 C ATOM 923 OD1 ASN A 54 0.394 -10.539 -12.386 1.00 22.42 O ATOM 924 ND2 ASN A 54 2.557 -10.727 -11.919 1.00 23.25 N ATOM 0 H ASN A 54 0.605 -8.668 -9.696 1.00 52.31 H new ATOM 0 HA ASN A 54 -1.171 -10.856 -10.289 1.00 70.02 H new ATOM 0 HB2 ASN A 54 1.776 -10.775 -9.477 1.00 52.41 H new ATOM 0 HB3 ASN A 54 0.935 -12.213 -10.023 1.00 52.41 H new ATOM 0 HD21 ASN A 54 2.818 -10.509 -12.881 1.00 23.25 H new ATOM 0 HD22 ASN A 54 3.280 -10.917 -11.225 1.00 23.25 H new ATOM 931 N GLU A 55 -1.159 -12.328 -8.151 1.00 62.53 N ATOM 932 CA GLU A 55 -1.619 -13.005 -6.909 1.00 34.40 C ATOM 933 C GLU A 55 -0.512 -13.021 -5.822 1.00 1.21 C ATOM 934 O GLU A 55 -0.782 -12.832 -4.632 1.00 1.45 O ATOM 935 CB GLU A 55 -2.065 -14.466 -7.232 1.00 62.35 C ATOM 936 CG GLU A 55 -3.252 -14.624 -8.224 1.00 42.31 C ATOM 937 CD GLU A 55 -2.992 -14.134 -9.667 1.00 51.01 C ATOM 938 OE1 GLU A 55 -2.369 -14.873 -10.450 1.00 54.41 O ATOM 939 OE2 GLU A 55 -3.389 -12.996 -10.008 1.00 14.41 O ATOM 0 H GLU A 55 -1.215 -12.926 -8.976 1.00 62.53 H new ATOM 0 HA GLU A 55 -2.466 -12.441 -6.517 1.00 34.40 H new ATOM 0 HB2 GLU A 55 -1.207 -15.003 -7.637 1.00 62.35 H new ATOM 0 HB3 GLU A 55 -2.335 -14.956 -6.296 1.00 62.35 H new ATOM 0 HG2 GLU A 55 -3.531 -15.677 -8.263 1.00 42.31 H new ATOM 0 HG3 GLU A 55 -4.109 -14.082 -7.825 1.00 42.31 H new ATOM 946 N GLU A 56 0.730 -13.247 -6.277 1.00 11.43 N ATOM 947 CA GLU A 56 1.944 -13.208 -5.432 1.00 60.11 C ATOM 948 C GLU A 56 2.228 -11.788 -4.858 1.00 72.11 C ATOM 949 O GLU A 56 2.603 -11.642 -3.691 1.00 2.21 O ATOM 950 CB GLU A 56 3.155 -13.720 -6.257 1.00 12.12 C ATOM 951 CG GLU A 56 3.409 -12.947 -7.574 1.00 11.15 C ATOM 952 CD GLU A 56 4.576 -13.509 -8.393 1.00 63.13 C ATOM 953 OE1 GLU A 56 4.369 -14.488 -9.142 1.00 64.21 O ATOM 954 OE2 GLU A 56 5.702 -12.978 -8.293 1.00 70.32 O ATOM 0 H GLU A 56 0.927 -13.465 -7.254 1.00 11.43 H new ATOM 0 HA GLU A 56 1.778 -13.858 -4.573 1.00 60.11 H new ATOM 0 HB2 GLU A 56 4.050 -13.662 -5.638 1.00 12.12 H new ATOM 0 HB3 GLU A 56 2.998 -14.773 -6.493 1.00 12.12 H new ATOM 0 HG2 GLU A 56 2.504 -12.971 -8.181 1.00 11.15 H new ATOM 0 HG3 GLU A 56 3.609 -11.901 -7.340 1.00 11.15 H new ATOM 961 N GLU A 57 2.048 -10.757 -5.705 1.00 72.35 N ATOM 962 CA GLU A 57 2.277 -9.337 -5.343 1.00 12.42 C ATOM 963 C GLU A 57 1.213 -8.824 -4.331 1.00 44.41 C ATOM 964 O GLU A 57 1.508 -7.983 -3.473 1.00 55.02 O ATOM 965 CB GLU A 57 2.246 -8.473 -6.631 1.00 73.21 C ATOM 966 CG GLU A 57 3.215 -8.901 -7.756 1.00 50.21 C ATOM 967 CD GLU A 57 4.694 -8.572 -7.484 1.00 42.24 C ATOM 968 OE1 GLU A 57 5.344 -9.304 -6.717 1.00 22.42 O ATOM 969 OE2 GLU A 57 5.214 -7.590 -8.055 1.00 63.20 O ATOM 0 H GLU A 57 1.737 -10.882 -6.668 1.00 72.35 H new ATOM 0 HA GLU A 57 3.252 -9.257 -4.862 1.00 12.42 H new ATOM 0 HB2 GLU A 57 1.231 -8.485 -7.028 1.00 73.21 H new ATOM 0 HB3 GLU A 57 2.470 -7.442 -6.359 1.00 73.21 H new ATOM 0 HG2 GLU A 57 3.118 -9.975 -7.913 1.00 50.21 H new ATOM 0 HG3 GLU A 57 2.912 -8.415 -8.683 1.00 50.21 H new ATOM 976 N LEU A 58 -0.028 -9.351 -4.465 1.00 3.32 N ATOM 977 CA LEU A 58 -1.163 -9.056 -3.547 1.00 25.13 C ATOM 978 C LEU A 58 -0.845 -9.430 -2.074 1.00 62.33 C ATOM 979 O LEU A 58 -1.390 -8.824 -1.154 1.00 1.14 O ATOM 980 CB LEU A 58 -2.450 -9.810 -4.008 1.00 72.10 C ATOM 981 CG LEU A 58 -3.127 -9.306 -5.324 1.00 40.22 C ATOM 982 CD1 LEU A 58 -4.294 -10.220 -5.740 1.00 40.12 C ATOM 983 CD2 LEU A 58 -3.614 -7.852 -5.179 1.00 24.11 C ATOM 0 H LEU A 58 -0.274 -9.996 -5.216 1.00 3.32 H new ATOM 0 HA LEU A 58 -1.329 -7.980 -3.590 1.00 25.13 H new ATOM 0 HB2 LEU A 58 -2.200 -10.863 -4.136 1.00 72.10 H new ATOM 0 HB3 LEU A 58 -3.184 -9.752 -3.204 1.00 72.10 H new ATOM 0 HG LEU A 58 -2.371 -9.339 -6.109 1.00 40.22 H new ATOM 0 HD11 LEU A 58 -4.743 -9.842 -6.658 1.00 40.12 H new ATOM 0 HD12 LEU A 58 -3.923 -11.231 -5.907 1.00 40.12 H new ATOM 0 HD13 LEU A 58 -5.044 -10.235 -4.949 1.00 40.12 H new ATOM 0 HD21 LEU A 58 -4.080 -7.530 -6.110 1.00 24.11 H new ATOM 0 HD22 LEU A 58 -4.341 -7.791 -4.369 1.00 24.11 H new ATOM 0 HD23 LEU A 58 -2.766 -7.205 -4.955 1.00 24.11 H new ATOM 995 N GLU A 59 0.020 -10.445 -1.879 1.00 73.25 N ATOM 996 CA GLU A 59 0.449 -10.908 -0.535 1.00 61.53 C ATOM 997 C GLU A 59 1.379 -9.890 0.163 1.00 30.12 C ATOM 998 O GLU A 59 1.307 -9.707 1.382 1.00 51.23 O ATOM 999 CB GLU A 59 1.150 -12.288 -0.655 1.00 40.02 C ATOM 1000 CG GLU A 59 0.247 -13.415 -1.206 1.00 33.24 C ATOM 1001 CD GLU A 59 -0.913 -13.797 -0.264 1.00 61.51 C ATOM 1002 OE1 GLU A 59 -1.955 -13.111 -0.273 1.00 13.31 O ATOM 1003 OE2 GLU A 59 -0.787 -14.782 0.490 1.00 61.14 O ATOM 0 H GLU A 59 0.443 -10.969 -2.645 1.00 73.25 H new ATOM 0 HA GLU A 59 -0.443 -11.003 0.084 1.00 61.53 H new ATOM 0 HB2 GLU A 59 2.020 -12.185 -1.304 1.00 40.02 H new ATOM 0 HB3 GLU A 59 1.519 -12.582 0.328 1.00 40.02 H new ATOM 0 HG2 GLU A 59 -0.164 -13.102 -2.166 1.00 33.24 H new ATOM 0 HG3 GLU A 59 0.857 -14.299 -1.393 1.00 33.24 H new ATOM 1010 N GLU A 60 2.248 -9.240 -0.622 1.00 74.30 N ATOM 1011 CA GLU A 60 3.136 -8.176 -0.117 1.00 11.40 C ATOM 1012 C GLU A 60 2.323 -6.904 0.216 1.00 14.42 C ATOM 1013 O GLU A 60 2.605 -6.205 1.197 1.00 31.13 O ATOM 1014 CB GLU A 60 4.231 -7.856 -1.160 1.00 61.04 C ATOM 1015 CG GLU A 60 5.331 -6.880 -0.685 1.00 63.02 C ATOM 1016 CD GLU A 60 6.240 -7.447 0.424 1.00 61.11 C ATOM 1017 OE1 GLU A 60 5.905 -7.307 1.621 1.00 31.13 O ATOM 1018 OE2 GLU A 60 7.294 -8.043 0.098 1.00 4.13 O ATOM 0 H GLU A 60 2.358 -9.432 -1.618 1.00 74.30 H new ATOM 0 HA GLU A 60 3.614 -8.528 0.797 1.00 11.40 H new ATOM 0 HB2 GLU A 60 4.704 -8.790 -1.464 1.00 61.04 H new ATOM 0 HB3 GLU A 60 3.754 -7.437 -2.046 1.00 61.04 H new ATOM 0 HG2 GLU A 60 5.948 -6.602 -1.539 1.00 63.02 H new ATOM 0 HG3 GLU A 60 4.859 -5.967 -0.322 1.00 63.02 H new ATOM 1025 N TYR A 61 1.313 -6.608 -0.627 1.00 52.25 N ATOM 1026 CA TYR A 61 0.390 -5.474 -0.392 1.00 62.04 C ATOM 1027 C TYR A 61 -0.523 -5.734 0.830 1.00 2.12 C ATOM 1028 O TYR A 61 -0.890 -4.803 1.557 1.00 14.41 O ATOM 1029 CB TYR A 61 -0.462 -5.178 -1.649 1.00 43.33 C ATOM 1030 CG TYR A 61 -1.240 -3.856 -1.532 1.00 41.44 C ATOM 1031 CD1 TYR A 61 -0.570 -2.637 -1.659 1.00 14.11 C ATOM 1032 CD2 TYR A 61 -2.611 -3.815 -1.249 1.00 0.55 C ATOM 1033 CE1 TYR A 61 -1.230 -1.439 -1.521 1.00 32.35 C ATOM 1034 CE2 TYR A 61 -3.277 -2.607 -1.106 1.00 55.01 C ATOM 1035 CZ TYR A 61 -2.576 -1.421 -1.245 1.00 3.24 C ATOM 1036 OH TYR A 61 -3.220 -0.211 -1.111 1.00 1.12 O ATOM 0 H TYR A 61 1.114 -7.137 -1.476 1.00 52.25 H new ATOM 0 HA TYR A 61 1.001 -4.597 -0.178 1.00 62.04 H new ATOM 0 HB2 TYR A 61 0.187 -5.138 -2.524 1.00 43.33 H new ATOM 0 HB3 TYR A 61 -1.164 -5.996 -1.810 1.00 43.33 H new ATOM 0 HD1 TYR A 61 0.489 -2.636 -1.870 1.00 14.11 H new ATOM 0 HD2 TYR A 61 -3.159 -4.739 -1.140 1.00 0.55 H new ATOM 0 HE1 TYR A 61 -0.690 -0.510 -1.630 1.00 32.35 H new ATOM 0 HE2 TYR A 61 -4.335 -2.591 -0.888 1.00 55.01 H new ATOM 0 HH TYR A 61 -4.168 -0.365 -0.918 1.00 1.12 H new ATOM 1046 N ASP A 62 -0.880 -7.014 1.034 1.00 61.30 N ATOM 1047 CA ASP A 62 -1.643 -7.478 2.209 1.00 72.40 C ATOM 1048 C ASP A 62 -0.868 -7.109 3.505 1.00 21.24 C ATOM 1049 O ASP A 62 -1.445 -6.570 4.454 1.00 41.20 O ATOM 1050 CB ASP A 62 -1.865 -9.016 2.091 1.00 24.25 C ATOM 1051 CG ASP A 62 -3.005 -9.562 2.969 1.00 12.44 C ATOM 1052 OD1 ASP A 62 -2.845 -9.625 4.200 1.00 22.40 O ATOM 1053 OD2 ASP A 62 -4.066 -9.950 2.422 1.00 4.53 O ATOM 0 H ASP A 62 -0.646 -7.763 0.383 1.00 61.30 H new ATOM 0 HA ASP A 62 -2.618 -6.992 2.252 1.00 72.40 H new ATOM 0 HB2 ASP A 62 -2.075 -9.262 1.050 1.00 24.25 H new ATOM 0 HB3 ASP A 62 -0.940 -9.526 2.359 1.00 24.25 H new ATOM 1058 N SER A 63 0.459 -7.368 3.482 1.00 24.43 N ATOM 1059 CA SER A 63 1.401 -6.968 4.559 1.00 11.14 C ATOM 1060 C SER A 63 1.381 -5.438 4.818 1.00 10.20 C ATOM 1061 O SER A 63 1.347 -5.001 5.969 1.00 24.23 O ATOM 1062 CB SER A 63 2.848 -7.391 4.204 1.00 34.32 C ATOM 1063 OG SER A 63 2.943 -8.771 3.899 1.00 23.21 O ATOM 0 H SER A 63 0.911 -7.863 2.713 1.00 24.43 H new ATOM 0 HA SER A 63 1.071 -7.478 5.464 1.00 11.14 H new ATOM 0 HB2 SER A 63 3.196 -6.808 3.352 1.00 34.32 H new ATOM 0 HB3 SER A 63 3.508 -7.159 5.040 1.00 34.32 H new ATOM 0 HG SER A 63 2.524 -8.944 3.030 1.00 23.21 H new ATOM 1069 N LEU A 64 1.379 -4.640 3.725 1.00 44.53 N ATOM 1070 CA LEU A 64 1.400 -3.154 3.781 1.00 5.40 C ATOM 1071 C LEU A 64 0.136 -2.583 4.487 1.00 63.45 C ATOM 1072 O LEU A 64 0.193 -1.548 5.158 1.00 23.34 O ATOM 1073 CB LEU A 64 1.534 -2.585 2.338 1.00 52.33 C ATOM 1074 CG LEU A 64 1.791 -1.046 2.215 1.00 72.12 C ATOM 1075 CD1 LEU A 64 3.121 -0.636 2.886 1.00 53.35 C ATOM 1076 CD2 LEU A 64 1.743 -0.574 0.739 1.00 30.53 C ATOM 0 H LEU A 64 1.363 -5.008 2.774 1.00 44.53 H new ATOM 0 HA LEU A 64 2.260 -2.844 4.375 1.00 5.40 H new ATOM 0 HB2 LEU A 64 2.350 -3.108 1.840 1.00 52.33 H new ATOM 0 HB3 LEU A 64 0.622 -2.823 1.791 1.00 52.33 H new ATOM 0 HG LEU A 64 0.983 -0.544 2.748 1.00 72.12 H new ATOM 0 HD11 LEU A 64 3.265 0.439 2.780 1.00 53.35 H new ATOM 0 HD12 LEU A 64 3.090 -0.896 3.944 1.00 53.35 H new ATOM 0 HD13 LEU A 64 3.947 -1.162 2.407 1.00 53.35 H new ATOM 0 HD21 LEU A 64 1.926 0.500 0.694 1.00 30.53 H new ATOM 0 HD22 LEU A 64 2.508 -1.097 0.165 1.00 30.53 H new ATOM 0 HD23 LEU A 64 0.761 -0.793 0.319 1.00 30.53 H new ATOM 1088 N LEU A 65 -0.998 -3.292 4.346 1.00 1.54 N ATOM 1089 CA LEU A 65 -2.283 -2.912 4.985 1.00 5.33 C ATOM 1090 C LEU A 65 -2.316 -3.213 6.505 1.00 52.24 C ATOM 1091 O LEU A 65 -3.188 -2.699 7.215 1.00 11.13 O ATOM 1092 CB LEU A 65 -3.454 -3.612 4.261 1.00 65.24 C ATOM 1093 CG LEU A 65 -3.590 -3.263 2.748 1.00 61.11 C ATOM 1094 CD1 LEU A 65 -4.741 -4.036 2.103 1.00 54.34 C ATOM 1095 CD2 LEU A 65 -3.752 -1.743 2.533 1.00 15.55 C ATOM 0 H LEU A 65 -1.056 -4.144 3.788 1.00 1.54 H new ATOM 0 HA LEU A 65 -2.386 -1.831 4.887 1.00 5.33 H new ATOM 0 HB2 LEU A 65 -3.332 -4.690 4.361 1.00 65.24 H new ATOM 0 HB3 LEU A 65 -4.384 -3.349 4.765 1.00 65.24 H new ATOM 0 HG LEU A 65 -2.666 -3.569 2.257 1.00 61.11 H new ATOM 0 HD11 LEU A 65 -4.811 -3.771 1.048 1.00 54.34 H new ATOM 0 HD12 LEU A 65 -4.558 -5.106 2.197 1.00 54.34 H new ATOM 0 HD13 LEU A 65 -5.675 -3.782 2.603 1.00 54.34 H new ATOM 0 HD21 LEU A 65 -3.844 -1.534 1.467 1.00 15.55 H new ATOM 0 HD22 LEU A 65 -4.647 -1.396 3.050 1.00 15.55 H new ATOM 0 HD23 LEU A 65 -2.879 -1.224 2.930 1.00 15.55 H new ATOM 1107 N ASN A 66 -1.376 -4.038 6.996 1.00 22.23 N ATOM 1108 CA ASN A 66 -1.180 -4.264 8.454 1.00 25.34 C ATOM 1109 C ASN A 66 -0.202 -3.226 9.069 1.00 52.24 C ATOM 1110 O ASN A 66 -0.140 -3.084 10.297 1.00 54.41 O ATOM 1111 CB ASN A 66 -0.669 -5.708 8.722 1.00 62.40 C ATOM 1112 CG ASN A 66 -1.685 -6.779 8.317 1.00 11.32 C ATOM 1113 OD1 ASN A 66 -2.553 -7.163 9.096 1.00 52.03 O ATOM 1114 ND2 ASN A 66 -1.591 -7.274 7.102 1.00 62.30 N ATOM 0 H ASN A 66 -0.732 -4.566 6.407 1.00 22.23 H new ATOM 0 HA ASN A 66 -2.149 -4.137 8.936 1.00 25.34 H new ATOM 0 HB2 ASN A 66 0.259 -5.868 8.174 1.00 62.40 H new ATOM 0 HB3 ASN A 66 -0.436 -5.816 9.781 1.00 62.40 H new ATOM 0 HD21 ASN A 66 -2.247 -7.991 6.791 1.00 62.30 H new ATOM 0 HD22 ASN A 66 -0.862 -6.941 6.471 1.00 62.30 H new ATOM 1121 N GLU A 67 0.552 -2.500 8.212 1.00 42.31 N ATOM 1122 CA GLU A 67 1.568 -1.511 8.668 1.00 42.41 C ATOM 1123 C GLU A 67 0.925 -0.172 9.106 1.00 42.01 C ATOM 1124 O GLU A 67 -0.188 0.168 8.676 1.00 23.54 O ATOM 1125 CB GLU A 67 2.622 -1.248 7.552 1.00 25.14 C ATOM 1126 CG GLU A 67 3.298 -2.513 6.979 1.00 52.32 C ATOM 1127 CD GLU A 67 4.025 -3.388 8.021 1.00 42.44 C ATOM 1128 OE1 GLU A 67 5.186 -3.077 8.372 1.00 44.22 O ATOM 1129 OE2 GLU A 67 3.456 -4.409 8.473 1.00 32.04 O ATOM 0 H GLU A 67 0.479 -2.578 7.198 1.00 42.31 H new ATOM 0 HA GLU A 67 2.062 -1.945 9.537 1.00 42.41 H new ATOM 0 HB2 GLU A 67 2.138 -0.712 6.736 1.00 25.14 H new ATOM 0 HB3 GLU A 67 3.395 -0.591 7.951 1.00 25.14 H new ATOM 0 HG2 GLU A 67 2.540 -3.119 6.482 1.00 52.32 H new ATOM 0 HG3 GLU A 67 4.015 -2.210 6.216 1.00 52.32 H new ATOM 1136 N LEU A 68 1.652 0.588 9.949 1.00 33.21 N ATOM 1137 CA LEU A 68 1.192 1.882 10.490 1.00 14.32 C ATOM 1138 C LEU A 68 1.103 2.938 9.353 1.00 52.42 C ATOM 1139 O LEU A 68 2.088 3.176 8.650 1.00 53.34 O ATOM 1140 CB LEU A 68 2.169 2.341 11.624 1.00 22.14 C ATOM 1141 CG LEU A 68 1.564 3.194 12.792 1.00 3.11 C ATOM 1142 CD1 LEU A 68 2.598 3.384 13.931 1.00 73.32 C ATOM 1143 CD2 LEU A 68 1.016 4.569 12.318 1.00 0.42 C ATOM 0 H LEU A 68 2.580 0.319 10.275 1.00 33.21 H new ATOM 0 HA LEU A 68 0.194 1.773 10.915 1.00 14.32 H new ATOM 0 HB2 LEU A 68 2.625 1.451 12.057 1.00 22.14 H new ATOM 0 HB3 LEU A 68 2.971 2.919 11.165 1.00 22.14 H new ATOM 0 HG LEU A 68 0.713 2.631 13.175 1.00 3.11 H new ATOM 0 HD11 LEU A 68 2.155 3.979 14.729 1.00 73.32 H new ATOM 0 HD12 LEU A 68 2.890 2.410 14.324 1.00 73.32 H new ATOM 0 HD13 LEU A 68 3.478 3.897 13.542 1.00 73.32 H new ATOM 0 HD21 LEU A 68 0.611 5.113 13.171 1.00 0.42 H new ATOM 0 HD22 LEU A 68 1.824 5.148 11.869 1.00 0.42 H new ATOM 0 HD23 LEU A 68 0.229 4.412 11.580 1.00 0.42 H new ATOM 1155 N ASP A 69 -0.090 3.547 9.197 1.00 11.11 N ATOM 1156 CA ASP A 69 -0.387 4.576 8.161 1.00 11.34 C ATOM 1157 C ASP A 69 0.701 5.683 8.039 1.00 35.55 C ATOM 1158 O ASP A 69 1.256 5.877 6.948 1.00 32.33 O ATOM 1159 CB ASP A 69 -1.791 5.197 8.419 1.00 35.22 C ATOM 1160 CG ASP A 69 -2.036 5.547 9.893 1.00 74.04 C ATOM 1161 OD1 ASP A 69 -1.723 6.678 10.314 1.00 74.51 O ATOM 1162 OD2 ASP A 69 -2.533 4.675 10.633 1.00 61.22 O ATOM 0 H ASP A 69 -0.891 3.339 9.793 1.00 11.11 H new ATOM 0 HA ASP A 69 -0.382 4.061 7.200 1.00 11.34 H new ATOM 0 HB2 ASP A 69 -1.899 6.098 7.816 1.00 35.22 H new ATOM 0 HB3 ASP A 69 -2.557 4.497 8.086 1.00 35.22 H new ATOM 1167 N TRP A 70 1.011 6.383 9.158 1.00 61.31 N ATOM 1168 CA TRP A 70 2.055 7.444 9.193 1.00 72.22 C ATOM 1169 C TRP A 70 3.395 6.964 8.595 1.00 4.13 C ATOM 1170 O TRP A 70 3.969 7.644 7.742 1.00 75.21 O ATOM 1171 CB TRP A 70 2.288 7.976 10.640 1.00 2.12 C ATOM 1172 CG TRP A 70 1.301 9.027 11.075 1.00 2.23 C ATOM 1173 CD1 TRP A 70 0.330 8.922 12.025 1.00 32.30 C ATOM 1174 CD2 TRP A 70 1.198 10.363 10.544 1.00 23.54 C ATOM 1175 NE1 TRP A 70 -0.359 10.103 12.124 1.00 31.22 N ATOM 1176 CE2 TRP A 70 0.151 10.999 11.216 1.00 1.35 C ATOM 1177 CE3 TRP A 70 1.892 11.075 9.551 1.00 22.53 C ATOM 1178 CZ2 TRP A 70 -0.219 12.316 10.949 1.00 72.22 C ATOM 1179 CZ3 TRP A 70 1.520 12.378 9.277 1.00 62.23 C ATOM 1180 CH2 TRP A 70 0.468 12.986 9.972 1.00 23.22 C ATOM 0 H TRP A 70 0.551 6.232 10.056 1.00 61.31 H new ATOM 0 HA TRP A 70 1.677 8.259 8.575 1.00 72.22 H new ATOM 0 HB2 TRP A 70 2.241 7.138 11.336 1.00 2.12 H new ATOM 0 HB3 TRP A 70 3.295 8.389 10.706 1.00 2.12 H new ATOM 0 HD1 TRP A 70 0.132 8.038 12.614 1.00 32.30 H new ATOM 0 HE1 TRP A 70 -1.128 10.287 12.769 1.00 31.22 H new ATOM 0 HE3 TRP A 70 2.704 10.611 9.010 1.00 22.53 H new ATOM 0 HZ2 TRP A 70 -1.021 12.792 11.494 1.00 72.22 H new ATOM 0 HZ3 TRP A 70 2.048 12.934 8.517 1.00 62.23 H new ATOM 0 HH2 TRP A 70 0.193 14.003 9.733 1.00 23.22 H new ATOM 1191 N ASP A 71 3.841 5.766 9.016 1.00 34.44 N ATOM 1192 CA ASP A 71 5.100 5.148 8.542 1.00 34.22 C ATOM 1193 C ASP A 71 5.098 4.960 7.013 1.00 43.54 C ATOM 1194 O ASP A 71 6.037 5.374 6.339 1.00 40.42 O ATOM 1195 CB ASP A 71 5.312 3.788 9.249 1.00 3.30 C ATOM 1196 CG ASP A 71 5.610 3.946 10.741 1.00 70.32 C ATOM 1197 OD1 ASP A 71 4.774 4.519 11.467 1.00 5.11 O ATOM 1198 OD2 ASP A 71 6.688 3.512 11.199 1.00 55.33 O ATOM 0 H ASP A 71 3.339 5.195 9.696 1.00 34.44 H new ATOM 0 HA ASP A 71 5.922 5.819 8.790 1.00 34.22 H new ATOM 0 HB2 ASP A 71 4.421 3.173 9.122 1.00 3.30 H new ATOM 0 HB3 ASP A 71 6.136 3.258 8.771 1.00 3.30 H new ATOM 1203 N ILE A 72 4.003 4.375 6.486 1.00 23.33 N ATOM 1204 CA ILE A 72 3.803 4.149 5.027 1.00 23.33 C ATOM 1205 C ILE A 72 3.953 5.473 4.228 1.00 24.14 C ATOM 1206 O ILE A 72 4.569 5.510 3.153 1.00 12.54 O ATOM 1207 CB ILE A 72 2.378 3.521 4.759 1.00 14.44 C ATOM 1208 CG1 ILE A 72 2.188 2.192 5.559 1.00 60.21 C ATOM 1209 CG2 ILE A 72 2.118 3.291 3.248 1.00 54.42 C ATOM 1210 CD1 ILE A 72 0.777 1.618 5.513 1.00 73.24 C ATOM 0 H ILE A 72 3.226 4.042 7.057 1.00 23.33 H new ATOM 0 HA ILE A 72 4.572 3.454 4.689 1.00 23.33 H new ATOM 0 HB ILE A 72 1.642 4.244 5.111 1.00 14.44 H new ATOM 0 HG12 ILE A 72 2.882 1.447 5.170 1.00 60.21 H new ATOM 0 HG13 ILE A 72 2.460 2.368 6.600 1.00 60.21 H new ATOM 0 HG21 ILE A 72 1.127 2.858 3.111 1.00 54.42 H new ATOM 0 HG22 ILE A 72 2.174 4.243 2.720 1.00 54.42 H new ATOM 0 HG23 ILE A 72 2.870 2.610 2.849 1.00 54.42 H new ATOM 0 HD11 ILE A 72 0.740 0.697 6.095 1.00 73.24 H new ATOM 0 HD12 ILE A 72 0.076 2.341 5.932 1.00 73.24 H new ATOM 0 HD13 ILE A 72 0.504 1.405 4.479 1.00 73.24 H new ATOM 1222 N TYR A 73 3.414 6.565 4.803 1.00 44.24 N ATOM 1223 CA TYR A 73 3.474 7.910 4.201 1.00 2.23 C ATOM 1224 C TYR A 73 4.913 8.490 4.244 1.00 30.23 C ATOM 1225 O TYR A 73 5.391 9.060 3.259 1.00 63.02 O ATOM 1226 CB TYR A 73 2.481 8.853 4.927 1.00 10.20 C ATOM 1227 CG TYR A 73 2.338 10.229 4.270 1.00 21.10 C ATOM 1228 CD1 TYR A 73 1.680 10.363 3.045 1.00 72.03 C ATOM 1229 CD2 TYR A 73 2.880 11.384 4.851 1.00 64.00 C ATOM 1230 CE1 TYR A 73 1.564 11.591 2.427 1.00 64.24 C ATOM 1231 CE2 TYR A 73 2.769 12.616 4.232 1.00 41.43 C ATOM 1232 CZ TYR A 73 2.111 12.715 3.022 1.00 21.13 C ATOM 1233 OH TYR A 73 2.005 13.939 2.399 1.00 72.14 O ATOM 0 H TYR A 73 2.925 6.539 5.698 1.00 44.24 H new ATOM 0 HA TYR A 73 3.189 7.829 3.152 1.00 2.23 H new ATOM 0 HB2 TYR A 73 1.502 8.375 4.963 1.00 10.20 H new ATOM 0 HB3 TYR A 73 2.809 8.986 5.958 1.00 10.20 H new ATOM 0 HD1 TYR A 73 1.254 9.490 2.573 1.00 72.03 H new ATOM 0 HD2 TYR A 73 3.393 11.311 5.798 1.00 64.00 H new ATOM 0 HE1 TYR A 73 1.048 11.675 1.482 1.00 64.24 H new ATOM 0 HE2 TYR A 73 3.195 13.495 4.692 1.00 41.43 H new ATOM 0 HH TYR A 73 2.440 14.624 2.948 1.00 72.14 H new ATOM 1243 N TYR A 74 5.593 8.320 5.390 1.00 22.23 N ATOM 1244 CA TYR A 74 6.973 8.822 5.600 1.00 70.24 C ATOM 1245 C TYR A 74 7.999 8.103 4.700 1.00 54.42 C ATOM 1246 O TYR A 74 8.966 8.714 4.248 1.00 73.31 O ATOM 1247 CB TYR A 74 7.384 8.689 7.086 1.00 41.51 C ATOM 1248 CG TYR A 74 6.675 9.675 8.029 1.00 31.43 C ATOM 1249 CD1 TYR A 74 6.645 11.044 7.747 1.00 54.43 C ATOM 1250 CD2 TYR A 74 6.052 9.247 9.200 1.00 53.35 C ATOM 1251 CE1 TYR A 74 6.019 11.938 8.593 1.00 53.42 C ATOM 1252 CE2 TYR A 74 5.423 10.136 10.046 1.00 32.12 C ATOM 1253 CZ TYR A 74 5.407 11.480 9.741 1.00 13.33 C ATOM 1254 OH TYR A 74 4.783 12.370 10.590 1.00 21.31 O ATOM 0 H TYR A 74 5.208 7.833 6.199 1.00 22.23 H new ATOM 0 HA TYR A 74 6.973 9.876 5.322 1.00 70.24 H new ATOM 0 HB2 TYR A 74 7.176 7.672 7.419 1.00 41.51 H new ATOM 0 HB3 TYR A 74 8.461 8.837 7.168 1.00 41.51 H new ATOM 0 HD1 TYR A 74 7.121 11.410 6.849 1.00 54.43 H new ATOM 0 HD2 TYR A 74 6.062 8.196 9.450 1.00 53.35 H new ATOM 0 HE1 TYR A 74 6.009 12.992 8.357 1.00 53.42 H new ATOM 0 HE2 TYR A 74 4.944 9.780 10.946 1.00 32.12 H new ATOM 0 HH TYR A 74 3.813 12.320 10.461 1.00 21.31 H new ATOM 1264 N TRP A 75 7.771 6.807 4.447 1.00 43.22 N ATOM 1265 CA TRP A 75 8.620 6.009 3.542 1.00 60.40 C ATOM 1266 C TRP A 75 8.415 6.446 2.070 1.00 0.14 C ATOM 1267 O TRP A 75 9.381 6.565 1.312 1.00 61.11 O ATOM 1268 CB TRP A 75 8.321 4.498 3.703 1.00 3.12 C ATOM 1269 CG TRP A 75 8.502 3.937 5.106 1.00 42.10 C ATOM 1270 CD1 TRP A 75 9.353 4.380 6.089 1.00 32.20 C ATOM 1271 CD2 TRP A 75 7.811 2.808 5.669 1.00 74.42 C ATOM 1272 NE1 TRP A 75 9.229 3.600 7.209 1.00 44.35 N ATOM 1273 CE2 TRP A 75 8.292 2.633 6.979 1.00 33.52 C ATOM 1274 CE3 TRP A 75 6.828 1.934 5.185 1.00 53.14 C ATOM 1275 CZ2 TRP A 75 7.824 1.626 7.815 1.00 11.05 C ATOM 1276 CZ3 TRP A 75 6.365 0.933 6.016 1.00 72.21 C ATOM 1277 CH2 TRP A 75 6.865 0.785 7.319 1.00 5.13 C ATOM 0 H TRP A 75 6.999 6.282 4.859 1.00 43.22 H new ATOM 0 HA TRP A 75 9.661 6.185 3.811 1.00 60.40 H new ATOM 0 HB2 TRP A 75 7.294 4.314 3.387 1.00 3.12 H new ATOM 0 HB3 TRP A 75 8.968 3.944 3.023 1.00 3.12 H new ATOM 0 HD1 TRP A 75 10.023 5.222 5.993 1.00 32.20 H new ATOM 0 HE1 TRP A 75 9.753 3.722 8.076 1.00 44.35 H new ATOM 0 HE3 TRP A 75 6.441 2.041 4.183 1.00 53.14 H new ATOM 0 HZ2 TRP A 75 8.203 1.511 8.820 1.00 11.05 H new ATOM 0 HZ3 TRP A 75 5.606 0.253 5.658 1.00 72.21 H new ATOM 0 HH2 TRP A 75 6.485 -0.010 7.944 1.00 5.13 H new ATOM 1288 N ALA A 76 7.144 6.719 1.699 1.00 64.01 N ATOM 1289 CA ALA A 76 6.770 7.188 0.342 1.00 55.05 C ATOM 1290 C ALA A 76 7.320 8.604 0.034 1.00 0.42 C ATOM 1291 O ALA A 76 7.592 8.941 -1.123 1.00 24.21 O ATOM 1292 CB ALA A 76 5.248 7.164 0.184 1.00 74.53 C ATOM 0 H ALA A 76 6.348 6.621 2.330 1.00 64.01 H new ATOM 0 HA ALA A 76 7.225 6.506 -0.376 1.00 55.05 H new ATOM 0 HB1 ALA A 76 4.980 7.510 -0.815 1.00 74.53 H new ATOM 0 HB2 ALA A 76 4.883 6.147 0.326 1.00 74.53 H new ATOM 0 HB3 ALA A 76 4.795 7.819 0.928 1.00 74.53 H new ATOM 1298 N THR A 77 7.468 9.430 1.086 1.00 32.04 N ATOM 1299 CA THR A 77 8.016 10.810 0.979 1.00 60.53 C ATOM 1300 C THR A 77 9.525 10.868 1.326 1.00 22.23 C ATOM 1301 O THR A 77 10.132 11.947 1.273 1.00 63.53 O ATOM 1302 CB THR A 77 7.238 11.795 1.913 1.00 75.00 C ATOM 1303 OG1 THR A 77 7.348 11.361 3.284 1.00 63.12 O ATOM 1304 CG2 THR A 77 5.749 11.901 1.523 1.00 2.22 C ATOM 0 H THR A 77 7.213 9.167 2.038 1.00 32.04 H new ATOM 0 HA THR A 77 7.890 11.113 -0.060 1.00 60.53 H new ATOM 0 HB THR A 77 7.686 12.782 1.798 1.00 75.00 H new ATOM 0 HG1 THR A 77 6.684 10.662 3.460 1.00 63.12 H new ATOM 0 HG21 THR A 77 5.245 12.595 2.196 1.00 2.22 H new ATOM 0 HG22 THR A 77 5.666 12.264 0.499 1.00 2.22 H new ATOM 0 HG23 THR A 77 5.282 10.919 1.598 1.00 2.22 H new ATOM 1312 N LYS A 78 10.104 9.697 1.704 1.00 33.21 N ATOM 1313 CA LYS A 78 11.543 9.524 2.058 1.00 2.11 C ATOM 1314 C LYS A 78 11.936 10.303 3.364 1.00 1.43 C ATOM 1315 O LYS A 78 13.121 10.465 3.689 1.00 61.11 O ATOM 1316 CB LYS A 78 12.451 9.911 0.843 1.00 64.23 C ATOM 1317 CG LYS A 78 13.897 9.360 0.891 1.00 51.34 C ATOM 1318 CD LYS A 78 14.775 9.889 -0.269 1.00 53.02 C ATOM 1319 CE LYS A 78 16.208 9.327 -0.235 1.00 35.01 C ATOM 1320 NZ LYS A 78 17.065 9.923 -1.292 1.00 23.24 N ATOM 0 H LYS A 78 9.574 8.828 1.773 1.00 33.21 H new ATOM 0 HA LYS A 78 11.708 8.470 2.281 1.00 2.11 H new ATOM 0 HB2 LYS A 78 11.976 9.556 -0.071 1.00 64.23 H new ATOM 0 HB3 LYS A 78 12.497 10.998 0.777 1.00 64.23 H new ATOM 0 HG2 LYS A 78 14.355 9.633 1.842 1.00 51.34 H new ATOM 0 HG3 LYS A 78 13.868 8.271 0.853 1.00 51.34 H new ATOM 0 HD2 LYS A 78 14.309 9.628 -1.219 1.00 53.02 H new ATOM 0 HD3 LYS A 78 14.815 10.977 -0.222 1.00 53.02 H new ATOM 0 HE2 LYS A 78 16.650 9.521 0.742 1.00 35.01 H new ATOM 0 HE3 LYS A 78 16.176 8.245 -0.362 1.00 35.01 H new ATOM 0 HZ1 LYS A 78 18.021 9.517 -1.234 1.00 23.24 H new ATOM 0 HZ2 LYS A 78 16.658 9.717 -2.226 1.00 23.24 H new ATOM 0 HZ3 LYS A 78 17.117 10.953 -1.157 1.00 23.24 H new ATOM 1334 N ASN A 79 10.921 10.744 4.131 1.00 24.12 N ATOM 1335 CA ASN A 79 11.114 11.474 5.402 1.00 41.33 C ATOM 1336 C ASN A 79 11.221 10.470 6.581 1.00 53.24 C ATOM 1337 O ASN A 79 10.231 10.170 7.260 1.00 32.14 O ATOM 1338 CB ASN A 79 9.948 12.485 5.612 1.00 2.13 C ATOM 1339 CG ASN A 79 10.113 13.356 6.864 1.00 33.32 C ATOM 1340 OD1 ASN A 79 10.718 14.418 6.820 1.00 72.14 O ATOM 1341 ND2 ASN A 79 9.582 12.911 7.991 1.00 33.04 N ATOM 0 H ASN A 79 9.940 10.604 3.887 1.00 24.12 H new ATOM 0 HA ASN A 79 12.045 12.039 5.362 1.00 41.33 H new ATOM 0 HB2 ASN A 79 9.875 13.131 4.737 1.00 2.13 H new ATOM 0 HB3 ASN A 79 9.009 11.936 5.682 1.00 2.13 H new ATOM 0 HD21 ASN A 79 9.673 13.457 8.848 1.00 33.04 H new ATOM 0 HD22 ASN A 79 9.082 12.022 8.003 1.00 33.04 H new ATOM 1348 N PHE A 80 12.437 9.947 6.810 1.00 73.44 N ATOM 1349 CA PHE A 80 12.698 8.910 7.851 1.00 74.40 C ATOM 1350 C PHE A 80 13.092 9.534 9.220 1.00 74.43 C ATOM 1351 O PHE A 80 13.584 8.828 10.111 1.00 62.03 O ATOM 1352 CB PHE A 80 13.809 7.937 7.363 1.00 70.45 C ATOM 1353 CG PHE A 80 13.534 7.310 5.995 1.00 10.41 C ATOM 1354 CD1 PHE A 80 12.429 6.482 5.796 1.00 44.44 C ATOM 1355 CD2 PHE A 80 14.376 7.547 4.905 1.00 51.42 C ATOM 1356 CE1 PHE A 80 12.177 5.921 4.557 1.00 24.15 C ATOM 1357 CE2 PHE A 80 14.120 6.981 3.671 1.00 62.35 C ATOM 1358 CZ PHE A 80 13.020 6.169 3.495 1.00 43.40 C ATOM 0 H PHE A 80 13.269 10.222 6.288 1.00 73.44 H new ATOM 0 HA PHE A 80 11.770 8.359 8.004 1.00 74.40 H new ATOM 0 HB2 PHE A 80 14.756 8.476 7.320 1.00 70.45 H new ATOM 0 HB3 PHE A 80 13.928 7.141 8.098 1.00 70.45 H new ATOM 0 HD1 PHE A 80 11.762 6.276 6.620 1.00 44.44 H new ATOM 0 HD2 PHE A 80 15.240 8.183 5.029 1.00 51.42 H new ATOM 0 HE1 PHE A 80 11.315 5.285 4.421 1.00 24.15 H new ATOM 0 HE2 PHE A 80 14.784 7.175 2.842 1.00 62.35 H new ATOM 0 HZ PHE A 80 12.820 5.729 2.529 1.00 43.40 H new ATOM 1368 N LYS A 81 12.850 10.854 9.371 1.00 14.30 N ATOM 1369 CA LYS A 81 13.184 11.632 10.585 1.00 42.22 C ATOM 1370 C LYS A 81 12.523 11.046 11.866 1.00 53.53 C ATOM 1371 O LYS A 81 13.184 10.874 12.899 1.00 5.34 O ATOM 1372 CB LYS A 81 12.748 13.111 10.364 1.00 3.31 C ATOM 1373 CG LYS A 81 12.973 14.056 11.568 1.00 32.33 C ATOM 1374 CD LYS A 81 14.460 14.167 11.993 1.00 21.41 C ATOM 1375 CE LYS A 81 14.649 15.004 13.273 1.00 21.30 C ATOM 1376 NZ LYS A 81 16.070 15.060 13.697 1.00 40.51 N ATOM 0 H LYS A 81 12.411 11.418 8.643 1.00 14.30 H new ATOM 0 HA LYS A 81 14.261 11.577 10.746 1.00 42.22 H new ATOM 0 HB2 LYS A 81 13.291 13.508 9.506 1.00 3.31 H new ATOM 0 HB3 LYS A 81 11.689 13.125 10.106 1.00 3.31 H new ATOM 0 HG2 LYS A 81 12.600 15.049 11.316 1.00 32.33 H new ATOM 0 HG3 LYS A 81 12.386 13.700 12.415 1.00 32.33 H new ATOM 0 HD2 LYS A 81 14.864 13.167 12.154 1.00 21.41 H new ATOM 0 HD3 LYS A 81 15.033 14.616 11.182 1.00 21.41 H new ATOM 0 HE2 LYS A 81 14.282 16.016 13.102 1.00 21.30 H new ATOM 0 HE3 LYS A 81 14.048 14.578 14.076 1.00 21.30 H new ATOM 0 HZ1 LYS A 81 16.152 15.633 14.561 1.00 40.51 H new ATOM 0 HZ2 LYS A 81 16.414 14.097 13.886 1.00 40.51 H new ATOM 0 HZ3 LYS A 81 16.641 15.490 12.941 1.00 40.51 H new ATOM 1390 N THR A 82 11.219 10.735 11.776 1.00 74.45 N ATOM 1391 CA THR A 82 10.423 10.222 12.925 1.00 32.22 C ATOM 1392 C THR A 82 10.047 8.730 12.763 1.00 41.30 C ATOM 1393 O THR A 82 9.834 8.031 13.755 1.00 61.20 O ATOM 1394 CB THR A 82 9.138 11.091 13.139 1.00 11.31 C ATOM 1395 OG1 THR A 82 8.355 10.603 14.246 1.00 34.20 O ATOM 1396 CG2 THR A 82 8.273 11.172 11.875 1.00 44.21 C ATOM 0 H THR A 82 10.681 10.828 10.914 1.00 74.45 H new ATOM 0 HA THR A 82 11.055 10.300 13.809 1.00 32.22 H new ATOM 0 HB THR A 82 9.482 12.099 13.370 1.00 11.31 H new ATOM 0 HG1 THR A 82 7.560 11.165 14.357 1.00 34.20 H new ATOM 0 HG21 THR A 82 7.394 11.785 12.074 1.00 44.21 H new ATOM 0 HG22 THR A 82 8.851 11.619 11.066 1.00 44.21 H new ATOM 0 HG23 THR A 82 7.958 10.170 11.585 1.00 44.21 H new ATOM 1404 N SER A 83 9.963 8.257 11.506 1.00 52.22 N ATOM 1405 CA SER A 83 9.694 6.830 11.183 1.00 72.22 C ATOM 1406 C SER A 83 10.812 6.261 10.267 1.00 63.33 C ATOM 1407 O SER A 83 10.772 6.470 9.049 1.00 75.03 O ATOM 1408 CB SER A 83 8.303 6.660 10.507 1.00 2.45 C ATOM 1409 OG SER A 83 7.241 6.998 11.392 1.00 31.23 O ATOM 0 H SER A 83 10.078 8.847 10.682 1.00 52.22 H new ATOM 0 HA SER A 83 9.686 6.270 12.118 1.00 72.22 H new ATOM 0 HB2 SER A 83 8.251 7.290 9.619 1.00 2.45 H new ATOM 0 HB3 SER A 83 8.184 5.629 10.174 1.00 2.45 H new ATOM 0 HG SER A 83 6.383 6.881 10.933 1.00 31.23 H new ATOM 1415 N PRO A 84 11.857 5.573 10.848 1.00 41.25 N ATOM 1416 CA PRO A 84 12.941 4.907 10.059 1.00 3.41 C ATOM 1417 C PRO A 84 12.426 3.749 9.160 1.00 25.31 C ATOM 1418 O PRO A 84 11.340 3.200 9.391 1.00 50.23 O ATOM 1419 CB PRO A 84 13.917 4.369 11.151 1.00 64.14 C ATOM 1420 CG PRO A 84 13.574 5.142 12.393 1.00 30.31 C ATOM 1421 CD PRO A 84 12.088 5.416 12.310 1.00 23.02 C ATOM 0 HA PRO A 84 13.405 5.603 9.360 1.00 3.41 H new ATOM 0 HB2 PRO A 84 13.786 3.298 11.304 1.00 64.14 H new ATOM 0 HB3 PRO A 84 14.957 4.525 10.863 1.00 64.14 H new ATOM 0 HG2 PRO A 84 13.817 4.571 13.289 1.00 30.31 H new ATOM 0 HG3 PRO A 84 14.141 6.072 12.444 1.00 30.31 H new ATOM 0 HD2 PRO A 84 11.503 4.596 12.725 1.00 23.02 H new ATOM 0 HD3 PRO A 84 11.812 6.315 12.861 1.00 23.02 H new ATOM 1429 N LEU A 85 13.224 3.372 8.143 1.00 23.51 N ATOM 1430 CA LEU A 85 12.865 2.292 7.203 1.00 11.41 C ATOM 1431 C LEU A 85 13.412 0.914 7.682 1.00 74.33 C ATOM 1432 O LEU A 85 14.623 0.772 7.884 1.00 65.21 O ATOM 1433 CB LEU A 85 13.402 2.613 5.788 1.00 22.21 C ATOM 1434 CG LEU A 85 12.916 1.644 4.668 1.00 73.14 C ATOM 1435 CD1 LEU A 85 11.381 1.685 4.531 1.00 53.33 C ATOM 1436 CD2 LEU A 85 13.593 1.944 3.323 1.00 42.35 C ATOM 0 H LEU A 85 14.128 3.803 7.950 1.00 23.51 H new ATOM 0 HA LEU A 85 11.777 2.229 7.169 1.00 11.41 H new ATOM 0 HB2 LEU A 85 13.106 3.628 5.524 1.00 22.21 H new ATOM 0 HB3 LEU A 85 14.492 2.596 5.816 1.00 22.21 H new ATOM 0 HG LEU A 85 13.206 0.636 4.962 1.00 73.14 H new ATOM 0 HD11 LEU A 85 11.068 1.000 3.743 1.00 53.33 H new ATOM 0 HD12 LEU A 85 10.923 1.387 5.474 1.00 53.33 H new ATOM 0 HD13 LEU A 85 11.065 2.697 4.279 1.00 53.33 H new ATOM 0 HD21 LEU A 85 13.228 1.247 2.568 1.00 42.35 H new ATOM 0 HD22 LEU A 85 13.360 2.964 3.018 1.00 42.35 H new ATOM 0 HD23 LEU A 85 14.672 1.834 3.426 1.00 42.35 H new ATOM 1448 N PRO A 86 12.526 -0.121 7.865 1.00 5.13 N ATOM 1449 CA PRO A 86 12.952 -1.497 8.209 1.00 22.24 C ATOM 1450 C PRO A 86 13.412 -2.309 6.962 1.00 64.13 C ATOM 1451 O PRO A 86 13.021 -1.997 5.832 1.00 52.10 O ATOM 1452 CB PRO A 86 11.675 -2.091 8.855 1.00 24.13 C ATOM 1453 CG PRO A 86 10.537 -1.402 8.157 1.00 32.15 C ATOM 1454 CD PRO A 86 11.045 -0.030 7.743 1.00 1.41 C ATOM 0 HA PRO A 86 13.822 -1.523 8.865 1.00 22.24 H new ATOM 0 HB2 PRO A 86 11.628 -3.171 8.717 1.00 24.13 H new ATOM 0 HB3 PRO A 86 11.651 -1.905 9.929 1.00 24.13 H new ATOM 0 HG2 PRO A 86 10.214 -1.974 7.287 1.00 32.15 H new ATOM 0 HG3 PRO A 86 9.675 -1.312 8.818 1.00 32.15 H new ATOM 0 HD2 PRO A 86 10.746 0.211 6.723 1.00 1.41 H new ATOM 0 HD3 PRO A 86 10.642 0.752 8.387 1.00 1.41 H new ATOM 1462 N ASP A 87 14.227 -3.361 7.200 1.00 62.45 N ATOM 1463 CA ASP A 87 14.832 -4.214 6.131 1.00 31.14 C ATOM 1464 C ASP A 87 13.775 -4.905 5.234 1.00 35.22 C ATOM 1465 O ASP A 87 14.012 -5.112 4.035 1.00 21.30 O ATOM 1466 CB ASP A 87 15.757 -5.283 6.769 1.00 2.10 C ATOM 1467 CG ASP A 87 16.877 -4.656 7.610 1.00 33.22 C ATOM 1468 OD1 ASP A 87 16.628 -4.314 8.788 1.00 53.22 O ATOM 1469 OD2 ASP A 87 17.999 -4.467 7.092 1.00 21.30 O ATOM 0 H ASP A 87 14.490 -3.651 8.142 1.00 62.45 H new ATOM 0 HA ASP A 87 15.409 -3.550 5.488 1.00 31.14 H new ATOM 0 HB2 ASP A 87 15.163 -5.947 7.397 1.00 2.10 H new ATOM 0 HB3 ASP A 87 16.196 -5.897 5.982 1.00 2.10 H new ATOM 1474 N LYS A 88 12.620 -5.251 5.839 1.00 32.13 N ATOM 1475 CA LYS A 88 11.470 -5.866 5.131 1.00 25.01 C ATOM 1476 C LYS A 88 10.980 -4.990 3.938 1.00 53.45 C ATOM 1477 O LYS A 88 10.653 -5.512 2.872 1.00 33.50 O ATOM 1478 CB LYS A 88 10.307 -6.149 6.131 1.00 34.24 C ATOM 1479 CG LYS A 88 9.840 -4.916 6.945 1.00 25.33 C ATOM 1480 CD LYS A 88 8.691 -5.222 7.940 1.00 43.23 C ATOM 1481 CE LYS A 88 7.387 -5.657 7.247 1.00 0.01 C ATOM 1482 NZ LYS A 88 6.271 -5.845 8.209 1.00 61.30 N ATOM 0 H LYS A 88 12.455 -5.113 6.836 1.00 32.13 H new ATOM 0 HA LYS A 88 11.809 -6.813 4.711 1.00 25.01 H new ATOM 0 HB2 LYS A 88 9.456 -6.544 5.576 1.00 34.24 H new ATOM 0 HB3 LYS A 88 10.624 -6.927 6.825 1.00 34.24 H new ATOM 0 HG2 LYS A 88 10.689 -4.514 7.498 1.00 25.33 H new ATOM 0 HG3 LYS A 88 9.513 -4.139 6.254 1.00 25.33 H new ATOM 0 HD2 LYS A 88 9.011 -6.008 8.624 1.00 43.23 H new ATOM 0 HD3 LYS A 88 8.496 -4.335 8.543 1.00 43.23 H new ATOM 0 HE2 LYS A 88 7.104 -4.908 6.508 1.00 0.01 H new ATOM 0 HE3 LYS A 88 7.559 -6.588 6.707 1.00 0.01 H new ATOM 0 HZ1 LYS A 88 5.469 -6.297 7.726 1.00 61.30 H new ATOM 0 HZ2 LYS A 88 6.587 -6.449 8.994 1.00 61.30 H new ATOM 0 HZ3 LYS A 88 5.974 -4.920 8.582 1.00 61.30 H new ATOM 1496 N TRP A 89 10.968 -3.652 4.118 1.00 13.13 N ATOM 1497 CA TRP A 89 10.526 -2.703 3.068 1.00 35.12 C ATOM 1498 C TRP A 89 11.715 -2.115 2.284 1.00 73.22 C ATOM 1499 O TRP A 89 11.568 -1.758 1.113 1.00 73.31 O ATOM 1500 CB TRP A 89 9.635 -1.593 3.682 1.00 70.44 C ATOM 1501 CG TRP A 89 8.336 -2.133 4.256 1.00 34.12 C ATOM 1502 CD1 TRP A 89 7.946 -2.136 5.564 1.00 11.13 C ATOM 1503 CD2 TRP A 89 7.280 -2.785 3.526 1.00 31.33 C ATOM 1504 NE1 TRP A 89 6.716 -2.729 5.688 1.00 30.33 N ATOM 1505 CE2 TRP A 89 6.291 -3.143 4.454 1.00 20.23 C ATOM 1506 CE3 TRP A 89 7.078 -3.096 2.174 1.00 63.33 C ATOM 1507 CZ2 TRP A 89 5.121 -3.799 4.078 1.00 74.21 C ATOM 1508 CZ3 TRP A 89 5.921 -3.746 1.802 1.00 14.55 C ATOM 1509 CH2 TRP A 89 4.954 -4.093 2.750 1.00 42.43 C ATOM 0 H TRP A 89 11.261 -3.201 4.985 1.00 13.13 H new ATOM 0 HA TRP A 89 9.926 -3.258 2.346 1.00 35.12 H new ATOM 0 HB2 TRP A 89 10.190 -1.081 4.468 1.00 70.44 H new ATOM 0 HB3 TRP A 89 9.408 -0.850 2.917 1.00 70.44 H new ATOM 0 HD1 TRP A 89 8.522 -1.730 6.382 1.00 11.13 H new ATOM 0 HE1 TRP A 89 6.200 -2.843 6.560 1.00 30.33 H new ATOM 0 HE3 TRP A 89 7.819 -2.830 1.434 1.00 63.33 H new ATOM 0 HZ2 TRP A 89 4.371 -4.067 4.808 1.00 74.21 H new ATOM 0 HZ3 TRP A 89 5.759 -3.991 0.763 1.00 14.55 H new ATOM 0 HH2 TRP A 89 4.058 -4.603 2.429 1.00 42.43 H new ATOM 1520 N ALA A 90 12.896 -2.057 2.922 1.00 75.13 N ATOM 1521 CA ALA A 90 14.143 -1.578 2.274 1.00 65.11 C ATOM 1522 C ALA A 90 14.514 -2.438 1.045 1.00 23.44 C ATOM 1523 O ALA A 90 14.915 -1.921 -0.001 1.00 13.34 O ATOM 1524 CB ALA A 90 15.293 -1.565 3.298 1.00 60.13 C ATOM 0 H ALA A 90 13.020 -2.337 3.895 1.00 75.13 H new ATOM 0 HA ALA A 90 13.972 -0.562 1.917 1.00 65.11 H new ATOM 0 HB1 ALA A 90 16.205 -1.213 2.816 1.00 60.13 H new ATOM 0 HB2 ALA A 90 15.038 -0.900 4.123 1.00 60.13 H new ATOM 0 HB3 ALA A 90 15.451 -2.573 3.681 1.00 60.13 H new ATOM 1530 N ASN A 91 14.335 -3.763 1.184 1.00 31.15 N ATOM 1531 CA ASN A 91 14.637 -4.746 0.121 1.00 52.53 C ATOM 1532 C ASN A 91 13.358 -5.212 -0.637 1.00 51.32 C ATOM 1533 O ASN A 91 13.417 -6.160 -1.429 1.00 40.32 O ATOM 1534 CB ASN A 91 15.391 -5.946 0.750 1.00 35.32 C ATOM 1535 CG ASN A 91 16.677 -5.545 1.497 1.00 40.53 C ATOM 1536 OD1 ASN A 91 17.045 -6.157 2.494 1.00 73.50 O ATOM 1537 ND2 ASN A 91 17.382 -4.527 1.020 1.00 21.34 N ATOM 0 H ASN A 91 13.975 -4.187 2.039 1.00 31.15 H new ATOM 0 HA ASN A 91 15.269 -4.267 -0.627 1.00 52.53 H new ATOM 0 HB2 ASN A 91 14.724 -6.460 1.442 1.00 35.32 H new ATOM 0 HB3 ASN A 91 15.645 -6.657 -0.036 1.00 35.32 H new ATOM 0 HD21 ASN A 91 18.245 -4.242 1.484 1.00 21.34 H new ATOM 0 HD22 ASN A 91 17.061 -4.029 0.190 1.00 21.34 H new ATOM 1544 N SER A 92 12.210 -4.515 -0.426 1.00 62.32 N ATOM 1545 CA SER A 92 10.931 -4.836 -1.128 1.00 64.50 C ATOM 1546 C SER A 92 10.784 -3.997 -2.416 1.00 22.42 C ATOM 1547 O SER A 92 11.119 -2.805 -2.434 1.00 44.14 O ATOM 1548 CB SER A 92 9.694 -4.581 -0.224 1.00 64.44 C ATOM 1549 OG SER A 92 9.368 -3.201 -0.134 1.00 63.32 O ATOM 0 H SER A 92 12.141 -3.730 0.221 1.00 62.32 H new ATOM 0 HA SER A 92 10.972 -5.896 -1.378 1.00 64.50 H new ATOM 0 HB2 SER A 92 8.839 -5.129 -0.619 1.00 64.44 H new ATOM 0 HB3 SER A 92 9.890 -4.972 0.775 1.00 64.44 H new ATOM 0 HG SER A 92 10.121 -2.712 0.258 1.00 63.32 H new ATOM 1555 N LYS A 93 10.280 -4.634 -3.482 1.00 72.11 N ATOM 1556 CA LYS A 93 9.933 -3.960 -4.751 1.00 11.14 C ATOM 1557 C LYS A 93 8.671 -3.061 -4.590 1.00 32.51 C ATOM 1558 O LYS A 93 8.602 -1.974 -5.167 1.00 25.32 O ATOM 1559 CB LYS A 93 9.720 -5.032 -5.862 1.00 21.33 C ATOM 1560 CG LYS A 93 9.508 -4.480 -7.292 1.00 71.41 C ATOM 1561 CD LYS A 93 10.745 -3.721 -7.832 1.00 43.11 C ATOM 1562 CE LYS A 93 10.577 -3.286 -9.294 1.00 33.11 C ATOM 1563 NZ LYS A 93 11.748 -2.532 -9.799 1.00 74.14 N ATOM 0 H LYS A 93 10.099 -5.638 -3.493 1.00 72.11 H new ATOM 0 HA LYS A 93 10.756 -3.305 -5.039 1.00 11.14 H new ATOM 0 HB2 LYS A 93 10.585 -5.695 -5.872 1.00 21.33 H new ATOM 0 HB3 LYS A 93 8.856 -5.640 -5.595 1.00 21.33 H new ATOM 0 HG2 LYS A 93 9.272 -5.305 -7.964 1.00 71.41 H new ATOM 0 HG3 LYS A 93 8.647 -3.811 -7.294 1.00 71.41 H new ATOM 0 HD2 LYS A 93 10.926 -2.842 -7.214 1.00 43.11 H new ATOM 0 HD3 LYS A 93 11.625 -4.359 -7.745 1.00 43.11 H new ATOM 0 HE2 LYS A 93 10.420 -4.167 -9.916 1.00 33.11 H new ATOM 0 HE3 LYS A 93 9.684 -2.668 -9.386 1.00 33.11 H new ATOM 0 HZ1 LYS A 93 11.585 -2.261 -10.790 1.00 74.14 H new ATOM 0 HZ2 LYS A 93 11.884 -1.676 -9.224 1.00 74.14 H new ATOM 0 HZ3 LYS A 93 12.598 -3.129 -9.738 1.00 74.14 H new ATOM 1577 N LEU A 94 7.697 -3.531 -3.768 1.00 55.43 N ATOM 1578 CA LEU A 94 6.394 -2.845 -3.534 1.00 43.24 C ATOM 1579 C LEU A 94 6.564 -1.415 -2.980 1.00 55.14 C ATOM 1580 O LEU A 94 5.888 -0.482 -3.429 1.00 52.41 O ATOM 1581 CB LEU A 94 5.515 -3.651 -2.545 1.00 75.24 C ATOM 1582 CG LEU A 94 4.105 -3.030 -2.248 1.00 43.34 C ATOM 1583 CD1 LEU A 94 3.171 -3.124 -3.469 1.00 75.20 C ATOM 1584 CD2 LEU A 94 3.455 -3.639 -0.996 1.00 13.10 C ATOM 0 H LEU A 94 7.792 -4.401 -3.245 1.00 55.43 H new ATOM 0 HA LEU A 94 5.911 -2.783 -4.509 1.00 43.24 H new ATOM 0 HB2 LEU A 94 5.375 -4.656 -2.943 1.00 75.24 H new ATOM 0 HB3 LEU A 94 6.055 -3.753 -1.604 1.00 75.24 H new ATOM 0 HG LEU A 94 4.267 -1.972 -2.041 1.00 43.34 H new ATOM 0 HD11 LEU A 94 2.205 -2.683 -3.223 1.00 75.20 H new ATOM 0 HD12 LEU A 94 3.613 -2.585 -4.307 1.00 75.20 H new ATOM 0 HD13 LEU A 94 3.034 -4.170 -3.742 1.00 75.20 H new ATOM 0 HD21 LEU A 94 2.481 -3.178 -0.831 1.00 13.10 H new ATOM 0 HD22 LEU A 94 3.329 -4.712 -1.137 1.00 13.10 H new ATOM 0 HD23 LEU A 94 4.093 -3.459 -0.131 1.00 13.10 H new ATOM 1596 N LEU A 95 7.444 -1.265 -1.974 1.00 32.50 N ATOM 1597 CA LEU A 95 7.747 0.053 -1.386 1.00 71.25 C ATOM 1598 C LEU A 95 8.289 1.026 -2.462 1.00 63.22 C ATOM 1599 O LEU A 95 7.876 2.171 -2.540 1.00 2.33 O ATOM 1600 CB LEU A 95 8.771 -0.067 -0.233 1.00 34.44 C ATOM 1601 CG LEU A 95 9.230 1.295 0.373 1.00 61.43 C ATOM 1602 CD1 LEU A 95 8.117 1.988 1.176 1.00 73.23 C ATOM 1603 CD2 LEU A 95 10.523 1.165 1.178 1.00 3.34 C ATOM 0 H LEU A 95 7.957 -2.039 -1.551 1.00 32.50 H new ATOM 0 HA LEU A 95 6.815 0.449 -0.984 1.00 71.25 H new ATOM 0 HB2 LEU A 95 8.335 -0.674 0.560 1.00 34.44 H new ATOM 0 HB3 LEU A 95 9.648 -0.601 -0.598 1.00 34.44 H new ATOM 0 HG LEU A 95 9.451 1.945 -0.473 1.00 61.43 H new ATOM 0 HD11 LEU A 95 8.490 2.931 1.575 1.00 73.23 H new ATOM 0 HD12 LEU A 95 7.265 2.181 0.525 1.00 73.23 H new ATOM 0 HD13 LEU A 95 7.806 1.343 1.998 1.00 73.23 H new ATOM 0 HD21 LEU A 95 10.801 2.139 1.579 1.00 3.34 H new ATOM 0 HD22 LEU A 95 10.372 0.464 1.999 1.00 3.34 H new ATOM 0 HD23 LEU A 95 11.319 0.798 0.530 1.00 3.34 H new ATOM 1615 N LYS A 96 9.191 0.533 -3.308 1.00 22.32 N ATOM 1616 CA LYS A 96 9.818 1.345 -4.373 1.00 55.33 C ATOM 1617 C LYS A 96 8.789 1.736 -5.470 1.00 10.30 C ATOM 1618 O LYS A 96 8.929 2.776 -6.112 1.00 50.41 O ATOM 1619 CB LYS A 96 11.055 0.590 -4.920 1.00 32.23 C ATOM 1620 CG LYS A 96 12.073 0.260 -3.797 1.00 74.34 C ATOM 1621 CD LYS A 96 13.337 -0.480 -4.283 1.00 2.11 C ATOM 1622 CE LYS A 96 14.311 -0.787 -3.121 1.00 51.52 C ATOM 1623 NZ LYS A 96 15.564 -1.428 -3.592 1.00 70.01 N ATOM 0 H LYS A 96 9.513 -0.434 -3.283 1.00 22.32 H new ATOM 0 HA LYS A 96 10.165 2.294 -3.964 1.00 55.33 H new ATOM 0 HB2 LYS A 96 10.733 -0.333 -5.402 1.00 32.23 H new ATOM 0 HB3 LYS A 96 11.541 1.196 -5.685 1.00 32.23 H new ATOM 0 HG2 LYS A 96 12.374 1.188 -3.311 1.00 74.34 H new ATOM 0 HG3 LYS A 96 11.578 -0.349 -3.041 1.00 74.34 H new ATOM 0 HD2 LYS A 96 13.047 -1.412 -4.769 1.00 2.11 H new ATOM 0 HD3 LYS A 96 13.846 0.126 -5.033 1.00 2.11 H new ATOM 0 HE2 LYS A 96 14.553 0.138 -2.598 1.00 51.52 H new ATOM 0 HE3 LYS A 96 13.819 -1.441 -2.401 1.00 51.52 H new ATOM 0 HZ1 LYS A 96 16.185 -1.615 -2.779 1.00 70.01 H new ATOM 0 HZ2 LYS A 96 15.338 -2.325 -4.068 1.00 70.01 H new ATOM 0 HZ3 LYS A 96 16.048 -0.794 -4.259 1.00 70.01 H new ATOM 1637 N GLN A 97 7.743 0.896 -5.646 1.00 0.04 N ATOM 1638 CA GLN A 97 6.536 1.244 -6.449 1.00 73.50 C ATOM 1639 C GLN A 97 5.733 2.405 -5.791 1.00 10.34 C ATOM 1640 O GLN A 97 5.147 3.245 -6.482 1.00 51.31 O ATOM 1641 CB GLN A 97 5.602 0.008 -6.606 1.00 33.12 C ATOM 1642 CG GLN A 97 6.217 -1.219 -7.320 1.00 50.44 C ATOM 1643 CD GLN A 97 6.566 -0.977 -8.793 1.00 2.25 C ATOM 1644 OE1 GLN A 97 5.935 -0.184 -9.485 1.00 73.13 O ATOM 1645 NE2 GLN A 97 7.558 -1.689 -9.295 1.00 45.31 N ATOM 0 H GLN A 97 7.707 -0.039 -5.240 1.00 0.04 H new ATOM 0 HA GLN A 97 6.885 1.565 -7.430 1.00 73.50 H new ATOM 0 HB2 GLN A 97 5.271 -0.301 -5.614 1.00 33.12 H new ATOM 0 HB3 GLN A 97 4.713 0.316 -7.157 1.00 33.12 H new ATOM 0 HG2 GLN A 97 7.120 -1.520 -6.789 1.00 50.44 H new ATOM 0 HG3 GLN A 97 5.517 -2.052 -7.256 1.00 50.44 H new ATOM 0 HE21 GLN A 97 8.069 -2.342 -8.701 1.00 45.31 H new ATOM 0 HE22 GLN A 97 7.814 -1.586 -10.277 1.00 45.31 H new ATOM 1654 N LEU A 98 5.701 2.408 -4.446 1.00 3.33 N ATOM 1655 CA LEU A 98 4.948 3.394 -3.630 1.00 24.44 C ATOM 1656 C LEU A 98 5.550 4.827 -3.725 1.00 43.52 C ATOM 1657 O LEU A 98 4.800 5.804 -3.850 1.00 65.52 O ATOM 1658 CB LEU A 98 4.904 2.911 -2.152 1.00 3.15 C ATOM 1659 CG LEU A 98 3.964 3.689 -1.180 1.00 13.31 C ATOM 1660 CD1 LEU A 98 2.476 3.471 -1.536 1.00 21.40 C ATOM 1661 CD2 LEU A 98 4.256 3.315 0.291 1.00 23.33 C ATOM 0 H LEU A 98 6.201 1.720 -3.883 1.00 3.33 H new ATOM 0 HA LEU A 98 3.935 3.458 -4.028 1.00 24.44 H new ATOM 0 HB2 LEU A 98 4.604 1.863 -2.147 1.00 3.15 H new ATOM 0 HB3 LEU A 98 5.917 2.955 -1.751 1.00 3.15 H new ATOM 0 HG LEU A 98 4.171 4.753 -1.299 1.00 13.31 H new ATOM 0 HD11 LEU A 98 1.850 4.027 -0.839 1.00 21.40 H new ATOM 0 HD12 LEU A 98 2.289 3.822 -2.551 1.00 21.40 H new ATOM 0 HD13 LEU A 98 2.238 2.409 -1.470 1.00 21.40 H new ATOM 0 HD21 LEU A 98 3.587 3.871 0.948 1.00 23.33 H new ATOM 0 HD22 LEU A 98 4.098 2.246 0.433 1.00 23.33 H new ATOM 0 HD23 LEU A 98 5.290 3.564 0.531 1.00 23.33 H new ATOM 1673 N GLN A 99 6.902 4.946 -3.656 1.00 45.54 N ATOM 1674 CA GLN A 99 7.605 6.257 -3.815 1.00 11.22 C ATOM 1675 C GLN A 99 7.398 6.864 -5.225 1.00 41.03 C ATOM 1676 O GLN A 99 7.093 8.053 -5.349 1.00 24.04 O ATOM 1677 CB GLN A 99 9.137 6.161 -3.520 1.00 54.23 C ATOM 1678 CG GLN A 99 9.531 6.019 -2.030 1.00 44.11 C ATOM 1679 CD GLN A 99 9.273 4.648 -1.464 1.00 10.53 C ATOM 1680 OE1 GLN A 99 8.214 4.376 -0.912 1.00 24.13 O ATOM 1681 NE2 GLN A 99 10.229 3.759 -1.647 1.00 4.33 N ATOM 0 H GLN A 99 7.528 4.158 -3.492 1.00 45.54 H new ATOM 0 HA GLN A 99 7.151 6.915 -3.074 1.00 11.22 H new ATOM 0 HB2 GLN A 99 9.539 5.307 -4.065 1.00 54.23 H new ATOM 0 HB3 GLN A 99 9.621 7.052 -3.920 1.00 54.23 H new ATOM 0 HG2 GLN A 99 10.589 6.255 -1.919 1.00 44.11 H new ATOM 0 HG3 GLN A 99 8.978 6.754 -1.445 1.00 44.11 H new ATOM 0 HE21 GLN A 99 11.095 4.030 -2.112 1.00 4.33 H new ATOM 0 HE22 GLN A 99 10.102 2.800 -1.324 1.00 4.33 H new ATOM 1690 N GLU A 100 7.567 6.043 -6.282 1.00 44.14 N ATOM 1691 CA GLU A 100 7.409 6.511 -7.683 1.00 20.43 C ATOM 1692 C GLU A 100 5.923 6.816 -8.021 1.00 13.21 C ATOM 1693 O GLU A 100 5.640 7.612 -8.918 1.00 61.50 O ATOM 1694 CB GLU A 100 8.033 5.504 -8.683 1.00 11.31 C ATOM 1695 CG GLU A 100 7.385 4.109 -8.706 1.00 72.43 C ATOM 1696 CD GLU A 100 8.121 3.121 -9.632 1.00 31.43 C ATOM 1697 OE1 GLU A 100 9.160 2.564 -9.220 1.00 33.32 O ATOM 1698 OE2 GLU A 100 7.677 2.913 -10.778 1.00 25.02 O ATOM 0 H GLU A 100 7.812 5.056 -6.197 1.00 44.14 H new ATOM 0 HA GLU A 100 7.955 7.449 -7.781 1.00 20.43 H new ATOM 0 HB2 GLU A 100 7.975 5.930 -9.685 1.00 11.31 H new ATOM 0 HB3 GLU A 100 9.091 5.391 -8.446 1.00 11.31 H new ATOM 0 HG2 GLU A 100 7.367 3.706 -7.694 1.00 72.43 H new ATOM 0 HG3 GLU A 100 6.349 4.201 -9.031 1.00 72.43 H new ATOM 1705 N PHE A 101 4.982 6.183 -7.282 1.00 42.43 N ATOM 1706 CA PHE A 101 3.551 6.549 -7.333 1.00 55.22 C ATOM 1707 C PHE A 101 3.297 7.894 -6.606 1.00 54.03 C ATOM 1708 O PHE A 101 2.504 8.715 -7.079 1.00 63.44 O ATOM 1709 CB PHE A 101 2.659 5.432 -6.723 1.00 62.15 C ATOM 1710 CG PHE A 101 1.170 5.778 -6.739 1.00 72.21 C ATOM 1711 CD1 PHE A 101 0.488 5.902 -7.951 1.00 0.15 C ATOM 1712 CD2 PHE A 101 0.470 6.044 -5.560 1.00 55.23 C ATOM 1713 CE1 PHE A 101 -0.842 6.268 -7.982 1.00 75.11 C ATOM 1714 CE2 PHE A 101 -0.858 6.420 -5.597 1.00 44.10 C ATOM 1715 CZ PHE A 101 -1.512 6.533 -6.807 1.00 22.00 C ATOM 0 H PHE A 101 5.191 5.416 -6.643 1.00 42.43 H new ATOM 0 HA PHE A 101 3.281 6.664 -8.383 1.00 55.22 H new ATOM 0 HB2 PHE A 101 2.817 4.506 -7.277 1.00 62.15 H new ATOM 0 HB3 PHE A 101 2.972 5.246 -5.695 1.00 62.15 H new ATOM 0 HD1 PHE A 101 1.009 5.709 -8.877 1.00 0.15 H new ATOM 0 HD2 PHE A 101 0.973 5.955 -4.609 1.00 55.23 H new ATOM 0 HE1 PHE A 101 -1.358 6.347 -8.927 1.00 75.11 H new ATOM 0 HE2 PHE A 101 -1.386 6.626 -4.678 1.00 44.10 H new ATOM 0 HZ PHE A 101 -2.550 6.829 -6.833 1.00 22.00 H new ATOM 1725 N SER A 102 3.980 8.101 -5.458 1.00 72.12 N ATOM 1726 CA SER A 102 3.883 9.352 -4.656 1.00 31.55 C ATOM 1727 C SER A 102 4.256 10.598 -5.502 1.00 10.42 C ATOM 1728 O SER A 102 3.724 11.698 -5.290 1.00 61.20 O ATOM 1729 CB SER A 102 4.788 9.251 -3.403 1.00 71.42 C ATOM 1730 OG SER A 102 4.689 10.402 -2.578 1.00 14.20 O ATOM 0 H SER A 102 4.614 7.410 -5.058 1.00 72.12 H new ATOM 0 HA SER A 102 2.848 9.471 -4.336 1.00 31.55 H new ATOM 0 HB2 SER A 102 4.511 8.368 -2.827 1.00 71.42 H new ATOM 0 HB3 SER A 102 5.824 9.117 -3.715 1.00 71.42 H new ATOM 0 HG SER A 102 5.274 10.297 -1.799 1.00 14.20 H new ATOM 1736 N GLU A 103 5.162 10.389 -6.476 1.00 0.11 N ATOM 1737 CA GLU A 103 5.516 11.397 -7.497 1.00 53.23 C ATOM 1738 C GLU A 103 4.305 11.684 -8.431 1.00 2.14 C ATOM 1739 O GLU A 103 3.917 12.838 -8.653 1.00 10.44 O ATOM 1740 CB GLU A 103 6.716 10.885 -8.346 1.00 73.00 C ATOM 1741 CG GLU A 103 7.914 10.350 -7.536 1.00 21.41 C ATOM 1742 CD GLU A 103 8.529 11.378 -6.573 1.00 74.33 C ATOM 1743 OE1 GLU A 103 9.303 12.247 -7.038 1.00 32.40 O ATOM 1744 OE2 GLU A 103 8.254 11.316 -5.353 1.00 11.23 O ATOM 0 H GLU A 103 5.672 9.512 -6.578 1.00 0.11 H new ATOM 0 HA GLU A 103 5.792 12.321 -6.989 1.00 53.23 H new ATOM 0 HB2 GLU A 103 6.362 10.093 -9.006 1.00 73.00 H new ATOM 0 HB3 GLU A 103 7.063 11.699 -8.983 1.00 73.00 H new ATOM 0 HG2 GLU A 103 7.593 9.479 -6.964 1.00 21.41 H new ATOM 0 HG3 GLU A 103 8.684 10.010 -8.228 1.00 21.41 H new ATOM 1751 N ASN A 104 3.705 10.589 -8.948 1.00 45.51 N ATOM 1752 CA ASN A 104 2.579 10.628 -9.927 1.00 52.21 C ATOM 1753 C ASN A 104 1.255 11.149 -9.304 1.00 71.12 C ATOM 1754 O ASN A 104 0.316 11.506 -10.029 1.00 24.21 O ATOM 1755 CB ASN A 104 2.363 9.217 -10.545 1.00 24.33 C ATOM 1756 CG ASN A 104 3.494 8.726 -11.468 1.00 64.30 C ATOM 1757 OD1 ASN A 104 4.737 9.095 -11.198 1.00 53.22 O flip ATOM 1758 ND2 ASN A 104 3.250 7.995 -12.422 1.00 64.12 N flip ATOM 0 H ASN A 104 3.986 9.641 -8.699 1.00 45.51 H new ATOM 0 HA ASN A 104 2.859 11.335 -10.708 1.00 52.21 H new ATOM 0 HB2 ASN A 104 2.239 8.498 -9.735 1.00 24.33 H new ATOM 0 HB3 ASN A 104 1.431 9.224 -11.111 1.00 24.33 H new ATOM 0 HD21 ASN A 104 2.288 7.718 -12.619 1.00 64.12 H new ATOM 0 HD22 ASN A 104 4.009 7.664 -13.018 1.00 64.12 H new ATOM 1765 N LYS A 105 1.200 11.183 -7.962 1.00 22.13 N ATOM 1766 CA LYS A 105 0.070 11.774 -7.198 1.00 31.11 C ATOM 1767 C LYS A 105 -0.041 13.298 -7.405 1.00 24.05 C ATOM 1768 O LYS A 105 -1.099 13.888 -7.168 1.00 55.34 O ATOM 1769 CB LYS A 105 0.209 11.450 -5.692 1.00 44.13 C ATOM 1770 CG LYS A 105 -0.024 9.969 -5.345 1.00 21.22 C ATOM 1771 CD LYS A 105 0.105 9.644 -3.835 1.00 34.43 C ATOM 1772 CE LYS A 105 -0.957 10.330 -2.940 1.00 13.35 C ATOM 1773 NZ LYS A 105 -0.682 11.767 -2.705 1.00 62.31 N ATOM 0 H LYS A 105 1.936 10.802 -7.368 1.00 22.13 H new ATOM 0 HA LYS A 105 -0.846 11.325 -7.581 1.00 31.11 H new ATOM 0 HB2 LYS A 105 1.207 11.738 -5.360 1.00 44.13 H new ATOM 0 HB3 LYS A 105 -0.501 12.059 -5.133 1.00 44.13 H new ATOM 0 HG2 LYS A 105 -1.019 9.680 -5.684 1.00 21.22 H new ATOM 0 HG3 LYS A 105 0.691 9.361 -5.899 1.00 21.22 H new ATOM 0 HD2 LYS A 105 0.033 8.565 -3.701 1.00 34.43 H new ATOM 0 HD3 LYS A 105 1.097 9.942 -3.495 1.00 34.43 H new ATOM 0 HE2 LYS A 105 -1.937 10.226 -3.405 1.00 13.35 H new ATOM 0 HE3 LYS A 105 -1.003 9.814 -1.981 1.00 13.35 H new ATOM 0 HZ1 LYS A 105 -0.787 11.979 -1.692 1.00 62.31 H new ATOM 0 HZ2 LYS A 105 0.288 11.989 -3.006 1.00 62.31 H new ATOM 0 HZ3 LYS A 105 -1.354 12.343 -3.251 1.00 62.31 H new ATOM 1787 N GLU A 106 1.059 13.923 -7.846 1.00 14.32 N ATOM 1788 CA GLU A 106 1.116 15.368 -8.151 1.00 53.11 C ATOM 1789 C GLU A 106 0.924 15.640 -9.672 1.00 25.14 C ATOM 1790 O GLU A 106 1.294 16.713 -10.165 1.00 1.13 O ATOM 1791 CB GLU A 106 2.467 15.923 -7.634 1.00 55.42 C ATOM 1792 CG GLU A 106 2.704 15.670 -6.129 1.00 1.22 C ATOM 1793 CD GLU A 106 4.045 16.230 -5.629 1.00 62.33 C ATOM 1794 OE1 GLU A 106 4.147 17.464 -5.422 1.00 33.24 O ATOM 1795 OE2 GLU A 106 5.011 15.452 -5.453 1.00 33.11 O ATOM 0 H GLU A 106 1.944 13.441 -8.004 1.00 14.32 H new ATOM 0 HA GLU A 106 0.297 15.881 -7.647 1.00 53.11 H new ATOM 0 HB2 GLU A 106 3.278 15.468 -8.202 1.00 55.42 H new ATOM 0 HB3 GLU A 106 2.506 16.996 -7.824 1.00 55.42 H new ATOM 0 HG2 GLU A 106 1.893 16.122 -5.558 1.00 1.22 H new ATOM 0 HG3 GLU A 106 2.670 14.598 -5.937 1.00 1.22 H new ATOM 1802 N LYS A 107 0.326 14.648 -10.388 1.00 1.11 N ATOM 1803 CA LYS A 107 -0.106 14.755 -11.803 1.00 51.24 C ATOM 1804 C LYS A 107 1.036 15.210 -12.768 1.00 4.14 C ATOM 1805 O LYS A 107 0.831 16.017 -13.681 1.00 41.15 O ATOM 1806 CB LYS A 107 -1.351 15.685 -11.863 1.00 23.32 C ATOM 1807 CG LYS A 107 -2.266 15.472 -13.081 1.00 55.22 C ATOM 1808 CD LYS A 107 -3.509 16.384 -13.038 1.00 24.33 C ATOM 1809 CE LYS A 107 -3.165 17.888 -13.143 1.00 52.22 C ATOM 1810 NZ LYS A 107 -4.364 18.748 -13.034 1.00 40.34 N ATOM 0 H LYS A 107 0.128 13.732 -9.984 1.00 1.11 H new ATOM 0 HA LYS A 107 -0.375 13.763 -12.165 1.00 51.24 H new ATOM 0 HB2 LYS A 107 -1.939 15.539 -10.957 1.00 23.32 H new ATOM 0 HB3 LYS A 107 -1.012 16.721 -11.859 1.00 23.32 H new ATOM 0 HG2 LYS A 107 -1.705 15.668 -13.995 1.00 55.22 H new ATOM 0 HG3 LYS A 107 -2.583 14.430 -13.118 1.00 55.22 H new ATOM 0 HD2 LYS A 107 -4.179 16.113 -13.854 1.00 24.33 H new ATOM 0 HD3 LYS A 107 -4.050 16.206 -12.109 1.00 24.33 H new ATOM 0 HE2 LYS A 107 -2.458 18.152 -12.356 1.00 52.22 H new ATOM 0 HE3 LYS A 107 -2.669 18.079 -14.095 1.00 52.22 H new ATOM 0 HZ1 LYS A 107 -4.083 19.746 -13.110 1.00 40.34 H new ATOM 0 HZ2 LYS A 107 -5.028 18.516 -13.800 1.00 40.34 H new ATOM 0 HZ3 LYS A 107 -4.824 18.587 -12.115 1.00 40.34 H new ATOM 1824 N GLU A 108 2.231 14.627 -12.582 1.00 44.34 N ATOM 1825 CA GLU A 108 3.455 15.003 -13.350 1.00 73.12 C ATOM 1826 C GLU A 108 3.637 14.186 -14.658 1.00 54.21 C ATOM 1827 O GLU A 108 4.715 14.219 -15.269 1.00 75.32 O ATOM 1828 CB GLU A 108 4.698 14.821 -12.444 1.00 34.53 C ATOM 1829 CG GLU A 108 4.904 13.369 -11.950 1.00 43.21 C ATOM 1830 CD GLU A 108 6.231 13.160 -11.213 1.00 71.52 C ATOM 1831 OE1 GLU A 108 6.453 13.822 -10.178 1.00 34.23 O ATOM 1832 OE2 GLU A 108 7.057 12.333 -11.656 1.00 71.51 O ATOM 0 H GLU A 108 2.388 13.884 -11.901 1.00 44.34 H new ATOM 0 HA GLU A 108 3.339 16.045 -13.649 1.00 73.12 H new ATOM 0 HB2 GLU A 108 5.585 15.138 -12.992 1.00 34.53 H new ATOM 0 HB3 GLU A 108 4.606 15.479 -11.580 1.00 34.53 H new ATOM 0 HG2 GLU A 108 4.082 13.098 -11.287 1.00 43.21 H new ATOM 0 HG3 GLU A 108 4.861 12.693 -12.804 1.00 43.21 H new ATOM 1839 N ILE A 109 2.555 13.522 -15.099 1.00 71.24 N ATOM 1840 CA ILE A 109 2.548 12.579 -16.249 1.00 63.12 C ATOM 1841 C ILE A 109 3.620 11.477 -16.095 1.00 74.22 C ATOM 1842 O ILE A 109 3.724 10.826 -15.048 1.00 13.50 O ATOM 1843 CB ILE A 109 2.696 13.303 -17.656 1.00 12.45 C ATOM 1844 CG1 ILE A 109 1.538 14.338 -17.912 1.00 33.45 C ATOM 1845 CG2 ILE A 109 2.753 12.262 -18.812 1.00 32.43 C ATOM 1846 CD1 ILE A 109 1.641 15.663 -17.172 1.00 34.40 C ATOM 0 H ILE A 109 1.639 13.622 -14.663 1.00 71.24 H new ATOM 0 HA ILE A 109 1.564 12.111 -16.234 1.00 63.12 H new ATOM 0 HB ILE A 109 3.635 13.856 -17.632 1.00 12.45 H new ATOM 0 HG12 ILE A 109 1.495 14.546 -18.981 1.00 33.45 H new ATOM 0 HG13 ILE A 109 0.593 13.868 -17.641 1.00 33.45 H new ATOM 0 HG21 ILE A 109 2.854 12.782 -19.765 1.00 32.43 H new ATOM 0 HG22 ILE A 109 3.608 11.602 -18.666 1.00 32.43 H new ATOM 0 HG23 ILE A 109 1.836 11.672 -18.816 1.00 32.43 H new ATOM 0 HD11 ILE A 109 0.788 16.291 -17.429 1.00 34.40 H new ATOM 0 HD12 ILE A 109 1.646 15.480 -16.097 1.00 34.40 H new ATOM 0 HD13 ILE A 109 2.563 16.169 -17.459 1.00 34.40 H new TER 1858 ILE A 109