USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 664 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 77 LYS NZ :NH3+ 164:sc= 2.42 (180deg=1.13) USER MOD Set 1.2: A 79 THR OG1 : rot -100:sc= 0.382 USER MOD Set 2.1: A 35 GLN : amide:sc= 0.238 X(o=-0.44,f=-0.64) USER MOD Set 2.2: A 46 GLN : amide:sc= -0.682 X(o=-0.44,f=-0.64) USER MOD Set 3.1: A 19 HIS : no HD1:sc= -0.754 K(o=-0.76,f=-2.2) USER MOD Set 3.2: A 20 THR OG1 : rot 180:sc= -0.0077 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 132:sc= -0.186 (180deg=-0.811!) USER MOD Single : A 3 HIS : no HD1:sc= -0.607 X(o=-0.61,f=-1.1) USER MOD Single : A 4 HIS : no HD1:sc=-0.00966 X(o=-0.0097,f=-0.38) 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) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 9 SER OG : rot -2:sc= -0.232 USER MOD Single : A 10 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.24) USER MOD Single : A 11 MET CE :methyl 173:sc= 0 (180deg=-0.0155) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.319! X(o=-0.32!,f=-0.011) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -104:sc= 0.697 (180deg=-0.93!) USER MOD Single : A 33 MET CE :methyl -155:sc= -0.381 (180deg=-1.25) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot -58:sc= 0.632 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.254 USER MOD Single : A 51 SER OG : rot 90:sc= 0.893 USER MOD Single : A 54 ASN : amide:sc= 0.777 K(o=0.78,f=0) USER MOD Single : A 55 SER OG : rot 100:sc= -0.487 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.186 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0.552 USER MOD Single : A 60 ASN : amide:sc=-0.00513 K(o=-0.0051,f=-0.67) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -109:sc= 0.206 (180deg=-2.24) USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.34 K(o=-1.3,f=-6.1!) USER MOD Single : A 73 TYR OH : rot 110:sc= -0.703 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HE2:sc= -0.584 K(o=-0.58,f=-1.3) USER MOD Single : A 78 LYS NZ :NH3+ 170:sc= -0.0017 (180deg=-0.111) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 1.09 (180deg=1.09) USER MOD Single : A 82 MET CE :methyl -162:sc= -0.116 (180deg=-0.572) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.779 -13.105 9.969 1.00 14.14 N ATOM 2 CA MET A 1 23.263 -12.160 8.938 1.00 54.20 C ATOM 3 C MET A 1 22.973 -12.899 7.621 1.00 23.42 C ATOM 4 O MET A 1 23.893 -13.382 6.958 1.00 50.23 O ATOM 5 CB MET A 1 24.282 -11.035 8.697 1.00 0.33 C ATOM 6 CG MET A 1 24.644 -10.254 9.955 1.00 72.41 C ATOM 7 SD MET A 1 25.376 -11.300 11.229 1.00 55.30 S ATOM 8 CE MET A 1 25.620 -10.117 12.553 1.00 44.21 C ATOM 0 H1 MET A 1 24.627 -12.702 10.416 1.00 14.14 H new ATOM 0 H2 MET A 1 23.048 -13.263 10.692 1.00 14.14 H new ATOM 0 H3 MET A 1 24.022 -14.011 9.519 1.00 14.14 H new ATOM 0 HA MET A 1 22.332 -11.726 9.303 1.00 54.20 H new ATOM 0 HB2 MET A 1 25.190 -11.464 8.273 1.00 0.33 H new ATOM 0 HB3 MET A 1 23.879 -10.345 7.955 1.00 0.33 H new ATOM 0 HG2 MET A 1 25.343 -9.458 9.697 1.00 72.41 H new ATOM 0 HG3 MET A 1 23.749 -9.775 10.352 1.00 72.41 H new ATOM 0 HE1 MET A 1 26.067 -10.619 13.411 1.00 44.21 H new ATOM 0 HE2 MET A 1 26.282 -9.321 12.212 1.00 44.21 H new ATOM 0 HE3 MET A 1 24.659 -9.691 12.842 1.00 44.21 H new ATOM 20 N GLY A 2 21.696 -12.997 7.242 1.00 31.42 N ATOM 21 CA GLY A 2 21.332 -13.758 6.043 1.00 3.12 C ATOM 22 C GLY A 2 20.248 -13.108 5.186 1.00 25.32 C ATOM 23 O GLY A 2 19.693 -13.752 4.297 1.00 11.55 O ATOM 0 H GLY A 2 20.912 -12.570 7.735 1.00 31.42 H new ATOM 0 HA2 GLY A 2 22.224 -13.899 5.433 1.00 3.12 H new ATOM 0 HA3 GLY A 2 20.993 -14.749 6.346 1.00 3.12 H new ATOM 27 N HIS A 3 19.935 -11.839 5.439 1.00 73.31 N ATOM 28 CA HIS A 3 18.932 -11.125 4.638 1.00 65.23 C ATOM 29 C HIS A 3 19.352 -11.025 3.157 1.00 23.24 C ATOM 30 O HIS A 3 20.125 -10.147 2.774 1.00 4.51 O ATOM 31 CB HIS A 3 18.660 -9.726 5.223 1.00 2.14 C ATOM 32 CG HIS A 3 19.884 -8.865 5.393 1.00 52.52 C ATOM 33 ND1 HIS A 3 20.287 -7.926 4.466 1.00 63.13 N ATOM 34 CD2 HIS A 3 20.784 -8.794 6.403 1.00 24.41 C ATOM 35 CE1 HIS A 3 21.374 -7.319 4.899 1.00 21.42 C ATOM 36 NE2 HIS A 3 21.697 -7.826 6.069 1.00 44.12 N ATOM 0 H HIS A 3 20.355 -11.284 6.185 1.00 73.31 H new ATOM 0 HA HIS A 3 18.008 -11.702 4.679 1.00 65.23 H new ATOM 0 HB2 HIS A 3 17.955 -9.207 4.574 1.00 2.14 H new ATOM 0 HB3 HIS A 3 18.176 -9.841 6.193 1.00 2.14 H new ATOM 0 HD2 HIS A 3 20.783 -9.389 7.304 1.00 24.41 H new ATOM 0 HE1 HIS A 3 21.909 -6.537 4.381 1.00 21.42 H new ATOM 0 HE2 HIS A 3 22.497 -7.545 6.636 1.00 44.12 H new ATOM 45 N HIS A 4 18.859 -11.954 2.332 1.00 40.51 N ATOM 46 CA HIS A 4 19.166 -11.968 0.892 1.00 73.24 C ATOM 47 C HIS A 4 17.907 -11.712 0.044 1.00 42.35 C ATOM 48 O HIS A 4 17.008 -12.553 -0.014 1.00 71.43 O ATOM 49 CB HIS A 4 19.779 -13.316 0.485 1.00 34.23 C ATOM 50 CG HIS A 4 20.986 -13.712 1.283 1.00 54.43 C ATOM 51 ND1 HIS A 4 21.064 -14.894 1.988 1.00 54.34 N ATOM 52 CD2 HIS A 4 22.176 -13.090 1.471 1.00 74.23 C ATOM 53 CE1 HIS A 4 22.240 -14.981 2.572 1.00 4.51 C ATOM 54 NE2 HIS A 4 22.934 -13.903 2.275 1.00 72.14 N ATOM 0 H HIS A 4 18.244 -12.709 2.635 1.00 40.51 H new ATOM 0 HA HIS A 4 19.882 -11.167 0.707 1.00 73.24 H new ATOM 0 HB2 HIS A 4 19.020 -14.092 0.586 1.00 34.23 H new ATOM 0 HB3 HIS A 4 20.053 -13.274 -0.569 1.00 34.23 H new ATOM 0 HD2 HIS A 4 22.472 -12.134 1.064 1.00 74.23 H new ATOM 0 HE1 HIS A 4 22.579 -15.799 3.191 1.00 4.51 H new ATOM 0 HE2 HIS A 4 23.883 -13.704 2.592 1.00 72.14 H new ATOM 63 N HIS A 5 17.842 -10.553 -0.612 1.00 23.44 N ATOM 64 CA HIS A 5 16.707 -10.213 -1.487 1.00 14.21 C ATOM 65 C HIS A 5 17.169 -9.610 -2.822 1.00 23.45 C ATOM 66 O HIS A 5 16.502 -9.777 -3.847 1.00 43.53 O ATOM 67 CB HIS A 5 15.749 -9.241 -0.786 1.00 11.40 C ATOM 68 CG HIS A 5 14.970 -9.864 0.331 1.00 4.12 C ATOM 69 ND1 HIS A 5 13.865 -10.655 0.117 1.00 21.01 N ATOM 70 CD2 HIS A 5 15.130 -9.805 1.675 1.00 32.40 C ATOM 71 CE1 HIS A 5 13.378 -11.054 1.272 1.00 60.42 C ATOM 72 NE2 HIS A 5 14.125 -10.554 2.236 1.00 72.25 N ATOM 0 H HIS A 5 18.560 -9.830 -0.557 1.00 23.44 H new ATOM 0 HA HIS A 5 16.183 -11.145 -1.700 1.00 14.21 H new ATOM 0 HB2 HIS A 5 16.321 -8.401 -0.393 1.00 11.40 H new ATOM 0 HB3 HIS A 5 15.053 -8.837 -1.521 1.00 11.40 H new ATOM 0 HD2 HIS A 5 15.903 -9.269 2.206 1.00 32.40 H new ATOM 0 HE1 HIS A 5 12.512 -11.685 1.408 1.00 60.42 H new ATOM 0 HE2 HIS A 5 13.980 -10.700 3.235 1.00 72.25 H new ATOM 81 N HIS A 6 18.312 -8.923 -2.804 1.00 73.24 N ATOM 82 CA HIS A 6 18.842 -8.233 -3.989 1.00 71.21 C ATOM 83 C HIS A 6 17.891 -7.118 -4.475 1.00 20.25 C ATOM 84 O HIS A 6 16.878 -6.830 -3.833 1.00 72.22 O ATOM 85 CB HIS A 6 19.123 -9.237 -5.117 1.00 21.21 C ATOM 86 CG HIS A 6 20.134 -10.284 -4.749 1.00 70.11 C ATOM 87 ND1 HIS A 6 21.493 -10.047 -4.733 1.00 4.45 N ATOM 88 CD2 HIS A 6 19.981 -11.581 -4.386 1.00 72.33 C ATOM 89 CE1 HIS A 6 22.128 -11.146 -4.385 1.00 50.15 C ATOM 90 NE2 HIS A 6 21.238 -12.089 -4.167 1.00 13.34 N ATOM 0 H HIS A 6 18.897 -8.827 -1.974 1.00 73.24 H new ATOM 0 HA HIS A 6 19.780 -7.759 -3.702 1.00 71.21 H new ATOM 0 HB2 HIS A 6 18.190 -9.727 -5.397 1.00 21.21 H new ATOM 0 HB3 HIS A 6 19.475 -8.696 -5.995 1.00 21.21 H new ATOM 0 HD2 HIS A 6 19.047 -12.114 -4.288 1.00 72.33 H new ATOM 0 HE1 HIS A 6 23.199 -11.255 -4.294 1.00 50.15 H new ATOM 0 HE2 HIS A 6 21.448 -13.045 -3.881 1.00 13.34 H new ATOM 99 N HIS A 7 18.230 -6.501 -5.615 1.00 25.20 N ATOM 100 CA HIS A 7 17.466 -5.371 -6.173 1.00 62.33 C ATOM 101 C HIS A 7 17.604 -4.117 -5.287 1.00 0.11 C ATOM 102 O HIS A 7 17.610 -4.206 -4.061 1.00 34.43 O ATOM 103 CB HIS A 7 15.986 -5.745 -6.366 1.00 53.15 C ATOM 104 CG HIS A 7 15.789 -7.020 -7.137 1.00 32.22 C ATOM 105 ND1 HIS A 7 15.999 -7.122 -8.495 1.00 61.22 N ATOM 106 CD2 HIS A 7 15.409 -8.257 -6.729 1.00 14.44 C ATOM 107 CE1 HIS A 7 15.758 -8.357 -8.888 1.00 1.24 C ATOM 108 NE2 HIS A 7 15.399 -9.066 -7.840 1.00 45.41 N ATOM 0 H HIS A 7 19.038 -6.768 -6.177 1.00 25.20 H new ATOM 0 HA HIS A 7 17.885 -5.139 -7.152 1.00 62.33 H new ATOM 0 HB2 HIS A 7 15.513 -5.843 -5.389 1.00 53.15 H new ATOM 0 HB3 HIS A 7 15.478 -4.932 -6.886 1.00 53.15 H new ATOM 0 HD2 HIS A 7 15.161 -8.551 -5.720 1.00 14.44 H new ATOM 0 HE1 HIS A 7 15.841 -8.725 -9.900 1.00 1.24 H new ATOM 0 HE2 HIS A 7 15.153 -10.056 -7.850 1.00 45.41 H new ATOM 117 N HIS A 8 17.725 -2.945 -5.909 1.00 1.41 N ATOM 118 CA HIS A 8 18.027 -1.714 -5.163 1.00 12.22 C ATOM 119 C HIS A 8 17.062 -0.551 -5.472 1.00 13.45 C ATOM 120 O HIS A 8 16.731 -0.300 -6.631 1.00 64.34 O ATOM 121 CB HIS A 8 19.463 -1.268 -5.471 1.00 52.30 C ATOM 122 CG HIS A 8 20.497 -2.310 -5.162 1.00 3.23 C ATOM 123 ND1 HIS A 8 20.893 -3.272 -6.068 1.00 41.04 N ATOM 124 CD2 HIS A 8 21.213 -2.544 -4.039 1.00 40.33 C ATOM 125 CE1 HIS A 8 21.801 -4.050 -5.514 1.00 31.55 C ATOM 126 NE2 HIS A 8 22.012 -3.629 -4.286 1.00 75.00 N ATOM 0 H HIS A 8 17.621 -2.817 -6.916 1.00 1.41 H new ATOM 0 HA HIS A 8 17.905 -1.955 -4.107 1.00 12.22 H new ATOM 0 HB2 HIS A 8 19.533 -1.001 -6.525 1.00 52.30 H new ATOM 0 HB3 HIS A 8 19.685 -0.367 -4.899 1.00 52.30 H new ATOM 0 HD2 HIS A 8 21.164 -1.981 -3.119 1.00 40.33 H new ATOM 0 HE1 HIS A 8 22.288 -4.890 -5.987 1.00 31.55 H new ATOM 0 HE2 HIS A 8 22.666 -4.044 -3.623 1.00 75.00 H new ATOM 135 N SER A 9 16.598 0.105 -4.396 1.00 72.34 N ATOM 136 CA SER A 9 15.969 1.454 -4.423 1.00 74.11 C ATOM 137 C SER A 9 14.606 1.551 -5.141 1.00 53.41 C ATOM 138 O SER A 9 13.629 1.996 -4.535 1.00 33.31 O ATOM 139 CB SER A 9 16.937 2.508 -4.995 1.00 74.20 C ATOM 140 OG SER A 9 17.289 2.239 -6.341 1.00 34.30 O ATOM 0 H SER A 9 16.647 -0.289 -3.457 1.00 72.34 H new ATOM 0 HA SER A 9 15.754 1.658 -3.374 1.00 74.11 H new ATOM 0 HB2 SER A 9 16.476 3.494 -4.932 1.00 74.20 H new ATOM 0 HB3 SER A 9 17.840 2.539 -4.385 1.00 74.20 H new ATOM 0 HG SER A 9 16.860 1.407 -6.631 1.00 34.30 H new ATOM 146 N HIS A 10 14.528 1.168 -6.417 1.00 53.42 N ATOM 147 CA HIS A 10 13.312 1.393 -7.231 1.00 42.34 C ATOM 148 C HIS A 10 12.103 0.505 -6.840 1.00 34.31 C ATOM 149 O HIS A 10 11.390 0.000 -7.708 1.00 2.13 O ATOM 150 CB HIS A 10 13.631 1.232 -8.727 1.00 2.12 C ATOM 151 CG HIS A 10 14.215 -0.099 -9.099 1.00 25.12 C ATOM 152 ND1 HIS A 10 15.551 -0.278 -9.371 1.00 75.30 N ATOM 153 CD2 HIS A 10 13.637 -1.312 -9.270 1.00 53.03 C ATOM 154 CE1 HIS A 10 15.770 -1.534 -9.691 1.00 30.01 C ATOM 155 NE2 HIS A 10 14.628 -2.187 -9.638 1.00 11.14 N ATOM 0 H HIS A 10 15.285 0.701 -6.916 1.00 53.42 H new ATOM 0 HA HIS A 10 13.005 2.417 -7.020 1.00 42.34 H new ATOM 0 HB2 HIS A 10 12.716 1.386 -9.299 1.00 2.12 H new ATOM 0 HB3 HIS A 10 14.328 2.016 -9.023 1.00 2.12 H new ATOM 0 HD2 HIS A 10 12.591 -1.547 -9.141 1.00 53.03 H new ATOM 0 HE1 HIS A 10 16.727 -1.959 -9.954 1.00 30.01 H new ATOM 0 HE2 HIS A 10 14.501 -3.179 -9.837 1.00 11.14 H new ATOM 164 N MET A 11 11.872 0.331 -5.541 1.00 44.42 N ATOM 165 CA MET A 11 10.631 -0.272 -5.038 1.00 60.52 C ATOM 166 C MET A 11 9.684 0.818 -4.513 1.00 63.14 C ATOM 167 O MET A 11 8.463 0.685 -4.582 1.00 24.14 O ATOM 168 CB MET A 11 10.941 -1.281 -3.926 1.00 35.42 C ATOM 169 CG MET A 11 11.713 -2.502 -4.404 1.00 24.33 C ATOM 170 SD MET A 11 12.233 -3.565 -3.043 1.00 22.50 S ATOM 171 CE MET A 11 12.989 -4.922 -3.937 1.00 15.44 C ATOM 0 H MET A 11 12.530 0.600 -4.810 1.00 44.42 H new ATOM 0 HA MET A 11 10.142 -0.796 -5.860 1.00 60.52 H new ATOM 0 HB2 MET A 11 11.515 -0.782 -3.145 1.00 35.42 H new ATOM 0 HB3 MET A 11 10.005 -1.608 -3.474 1.00 35.42 H new ATOM 0 HG2 MET A 11 11.091 -3.075 -5.091 1.00 24.33 H new ATOM 0 HG3 MET A 11 12.590 -2.177 -4.963 1.00 24.33 H new ATOM 0 HE1 MET A 11 13.469 -5.600 -3.231 1.00 15.44 H new ATOM 0 HE2 MET A 11 12.224 -5.461 -4.495 1.00 15.44 H new ATOM 0 HE3 MET A 11 13.735 -4.531 -4.629 1.00 15.44 H new ATOM 181 N LEU A 12 10.264 1.896 -3.980 1.00 55.23 N ATOM 182 CA LEU A 12 9.485 3.054 -3.515 1.00 52.14 C ATOM 183 C LEU A 12 9.085 3.962 -4.702 1.00 23.05 C ATOM 184 O LEU A 12 7.936 4.415 -4.777 1.00 34.11 O ATOM 185 CB LEU A 12 10.272 3.832 -2.432 1.00 33.02 C ATOM 186 CG LEU A 12 9.537 5.024 -1.771 1.00 12.32 C ATOM 187 CD1 LEU A 12 10.082 5.279 -0.368 1.00 10.45 C ATOM 188 CD2 LEU A 12 9.664 6.296 -2.614 1.00 12.41 C ATOM 0 H LEU A 12 11.272 1.994 -3.858 1.00 55.23 H new ATOM 0 HA LEU A 12 8.562 2.696 -3.060 1.00 52.14 H new ATOM 0 HB2 LEU A 12 10.560 3.131 -1.649 1.00 33.02 H new ATOM 0 HB3 LEU A 12 11.193 4.204 -2.880 1.00 33.02 H new ATOM 0 HG LEU A 12 8.481 4.761 -1.704 1.00 12.32 H new ATOM 0 HD11 LEU A 12 9.553 6.120 0.080 1.00 10.45 H new ATOM 0 HD12 LEU A 12 9.937 4.390 0.246 1.00 10.45 H new ATOM 0 HD13 LEU A 12 11.146 5.509 -0.427 1.00 10.45 H new ATOM 0 HD21 LEU A 12 9.137 7.113 -2.121 1.00 12.41 H new ATOM 0 HD22 LEU A 12 10.717 6.557 -2.723 1.00 12.41 H new ATOM 0 HD23 LEU A 12 9.229 6.125 -3.599 1.00 12.41 H new ATOM 200 N PRO A 13 10.028 4.281 -5.628 1.00 73.24 N ATOM 201 CA PRO A 13 9.687 4.922 -6.913 1.00 2.14 C ATOM 202 C PRO A 13 8.841 3.992 -7.805 1.00 62.22 C ATOM 203 O PRO A 13 9.173 2.818 -7.981 1.00 2.10 O ATOM 204 CB PRO A 13 11.057 5.209 -7.563 1.00 61.23 C ATOM 205 CG PRO A 13 12.042 5.114 -6.445 1.00 52.41 C ATOM 206 CD PRO A 13 11.484 4.092 -5.496 1.00 54.14 C ATOM 0 HA PRO A 13 9.086 5.821 -6.777 1.00 2.14 H new ATOM 0 HB2 PRO A 13 11.280 4.487 -8.348 1.00 61.23 H new ATOM 0 HB3 PRO A 13 11.076 6.197 -8.023 1.00 61.23 H new ATOM 0 HG2 PRO A 13 13.023 4.813 -6.812 1.00 52.41 H new ATOM 0 HG3 PRO A 13 12.169 6.078 -5.952 1.00 52.41 H new ATOM 0 HD2 PRO A 13 11.786 3.081 -5.768 1.00 54.14 H new ATOM 0 HD3 PRO A 13 11.823 4.262 -4.474 1.00 54.14 H new ATOM 214 N PRO A 14 7.736 4.500 -8.384 1.00 62.02 N ATOM 215 CA PRO A 14 6.800 3.671 -9.162 1.00 32.41 C ATOM 216 C PRO A 14 7.430 3.043 -10.422 1.00 13.55 C ATOM 217 O PRO A 14 7.582 3.704 -11.453 1.00 12.10 O ATOM 218 CB PRO A 14 5.677 4.656 -9.544 1.00 41.03 C ATOM 219 CG PRO A 14 5.836 5.808 -8.607 1.00 52.24 C ATOM 220 CD PRO A 14 7.309 5.908 -8.335 1.00 22.14 C ATOM 0 HA PRO A 14 6.459 2.813 -8.583 1.00 32.41 H new ATOM 0 HB2 PRO A 14 5.769 4.976 -10.582 1.00 41.03 H new ATOM 0 HB3 PRO A 14 4.695 4.195 -9.439 1.00 41.03 H new ATOM 0 HG2 PRO A 14 5.456 6.729 -9.050 1.00 52.24 H new ATOM 0 HG3 PRO A 14 5.278 5.643 -7.685 1.00 52.24 H new ATOM 0 HD2 PRO A 14 7.820 6.514 -9.083 1.00 22.14 H new ATOM 0 HD3 PRO A 14 7.513 6.361 -7.365 1.00 22.14 H new ATOM 228 N GLU A 15 7.818 1.768 -10.321 1.00 62.31 N ATOM 229 CA GLU A 15 8.319 1.011 -11.478 1.00 52.04 C ATOM 230 C GLU A 15 7.812 -0.440 -11.461 1.00 1.43 C ATOM 231 O GLU A 15 7.170 -0.895 -12.409 1.00 34.24 O ATOM 232 CB GLU A 15 9.855 1.030 -11.527 1.00 13.13 C ATOM 233 CG GLU A 15 10.432 0.237 -12.699 1.00 51.24 C ATOM 234 CD GLU A 15 11.938 0.386 -12.845 1.00 42.42 C ATOM 235 OE1 GLU A 15 12.687 -0.384 -12.205 1.00 63.55 O ATOM 236 OE2 GLU A 15 12.375 1.268 -13.618 1.00 20.11 O ATOM 0 H GLU A 15 7.796 1.236 -9.451 1.00 62.31 H new ATOM 0 HA GLU A 15 7.934 1.499 -12.374 1.00 52.04 H new ATOM 0 HB2 GLU A 15 10.197 2.063 -11.593 1.00 13.13 H new ATOM 0 HB3 GLU A 15 10.246 0.624 -10.594 1.00 13.13 H new ATOM 0 HG2 GLU A 15 10.190 -0.818 -12.569 1.00 51.24 H new ATOM 0 HG3 GLU A 15 9.951 0.563 -13.621 1.00 51.24 H new ATOM 243 N GLN A 16 8.105 -1.167 -10.385 1.00 34.33 N ATOM 244 CA GLN A 16 7.662 -2.561 -10.252 1.00 61.22 C ATOM 245 C GLN A 16 7.307 -2.903 -8.795 1.00 24.40 C ATOM 246 O GLN A 16 8.184 -3.173 -7.975 1.00 23.31 O ATOM 247 CB GLN A 16 8.747 -3.517 -10.775 1.00 60.10 C ATOM 248 CG GLN A 16 8.350 -4.991 -10.730 1.00 62.12 C ATOM 249 CD GLN A 16 9.423 -5.911 -11.291 1.00 13.43 C ATOM 250 OE1 GLN A 16 10.613 -5.619 -11.216 1.00 65.14 O ATOM 251 NE2 GLN A 16 9.016 -7.030 -11.859 1.00 64.13 N ATOM 0 H GLN A 16 8.645 -0.819 -9.593 1.00 34.33 H new ATOM 0 HA GLN A 16 6.760 -2.683 -10.852 1.00 61.22 H new ATOM 0 HB2 GLN A 16 8.989 -3.248 -11.803 1.00 60.10 H new ATOM 0 HB3 GLN A 16 9.654 -3.377 -10.187 1.00 60.10 H new ATOM 0 HG2 GLN A 16 8.139 -5.274 -9.699 1.00 62.12 H new ATOM 0 HG3 GLN A 16 7.428 -5.131 -11.294 1.00 62.12 H new ATOM 0 HE21 GLN A 16 8.020 -7.245 -11.906 1.00 64.13 H new ATOM 0 HE22 GLN A 16 9.697 -7.680 -12.251 1.00 64.13 H new ATOM 260 N TRP A 17 6.014 -2.883 -8.482 1.00 51.33 N ATOM 261 CA TRP A 17 5.535 -3.212 -7.135 1.00 53.55 C ATOM 262 C TRP A 17 5.202 -4.706 -7.010 1.00 61.10 C ATOM 263 O TRP A 17 4.157 -5.163 -7.480 1.00 21.01 O ATOM 264 CB TRP A 17 4.301 -2.367 -6.781 1.00 73.21 C ATOM 265 CG TRP A 17 4.593 -0.900 -6.649 1.00 11.43 C ATOM 266 CD1 TRP A 17 4.636 0.028 -7.653 1.00 54.21 C ATOM 267 CD2 TRP A 17 4.881 -0.190 -5.437 1.00 40.24 C ATOM 268 NE1 TRP A 17 4.930 1.268 -7.138 1.00 12.15 N ATOM 269 CE2 TRP A 17 5.087 1.160 -5.780 1.00 15.32 C ATOM 270 CE3 TRP A 17 4.987 -0.568 -4.095 1.00 54.05 C ATOM 271 CZ2 TRP A 17 5.386 2.133 -4.829 1.00 21.02 C ATOM 272 CZ3 TRP A 17 5.283 0.398 -3.152 1.00 31.21 C ATOM 273 CH2 TRP A 17 5.483 1.734 -3.522 1.00 34.30 C ATOM 0 H TRP A 17 5.275 -2.642 -9.142 1.00 51.33 H new ATOM 0 HA TRP A 17 6.337 -2.982 -6.433 1.00 53.55 H new ATOM 0 HB2 TRP A 17 3.541 -2.510 -7.549 1.00 73.21 H new ATOM 0 HB3 TRP A 17 3.879 -2.730 -5.844 1.00 73.21 H new ATOM 0 HD1 TRP A 17 4.464 -0.183 -8.698 1.00 54.21 H new ATOM 0 HE1 TRP A 17 5.017 2.129 -7.678 1.00 12.15 H new ATOM 0 HE3 TRP A 17 4.840 -1.597 -3.801 1.00 54.05 H new ATOM 0 HZ2 TRP A 17 5.536 3.164 -5.112 1.00 21.02 H new ATOM 0 HZ3 TRP A 17 5.361 0.118 -2.112 1.00 31.21 H new ATOM 0 HH2 TRP A 17 5.718 2.464 -2.762 1.00 34.30 H new ATOM 284 N SER A 18 6.100 -5.468 -6.390 1.00 20.41 N ATOM 285 CA SER A 18 5.863 -6.896 -6.147 1.00 53.51 C ATOM 286 C SER A 18 4.706 -7.096 -5.154 1.00 70.24 C ATOM 287 O SER A 18 4.577 -6.346 -4.186 1.00 24.43 O ATOM 288 CB SER A 18 7.137 -7.570 -5.610 1.00 54.25 C ATOM 289 OG SER A 18 8.217 -7.452 -6.528 1.00 23.04 O ATOM 0 H SER A 18 6.997 -5.125 -6.046 1.00 20.41 H new ATOM 0 HA SER A 18 5.591 -7.359 -7.096 1.00 53.51 H new ATOM 0 HB2 SER A 18 7.416 -7.117 -4.659 1.00 54.25 H new ATOM 0 HB3 SER A 18 6.938 -8.624 -5.415 1.00 54.25 H new ATOM 0 HG SER A 18 9.012 -7.889 -6.156 1.00 23.04 H new ATOM 295 N HIS A 19 3.876 -8.116 -5.397 1.00 64.15 N ATOM 296 CA HIS A 19 2.688 -8.390 -4.562 1.00 3.44 C ATOM 297 C HIS A 19 2.994 -8.327 -3.052 1.00 51.32 C ATOM 298 O HIS A 19 2.179 -7.853 -2.261 1.00 5.21 O ATOM 299 CB HIS A 19 2.084 -9.759 -4.922 1.00 74.24 C ATOM 300 CG HIS A 19 3.050 -10.905 -4.830 1.00 22.12 C ATOM 301 ND1 HIS A 19 3.524 -11.405 -3.632 1.00 51.23 N ATOM 302 CD2 HIS A 19 3.637 -11.652 -5.797 1.00 63.42 C ATOM 303 CE1 HIS A 19 4.354 -12.401 -3.868 1.00 4.13 C ATOM 304 NE2 HIS A 19 4.438 -12.572 -5.169 1.00 75.34 N ATOM 0 H HIS A 19 4.001 -8.772 -6.168 1.00 64.15 H new ATOM 0 HA HIS A 19 1.965 -7.603 -4.776 1.00 3.44 H new ATOM 0 HB2 HIS A 19 1.241 -9.956 -4.260 1.00 74.24 H new ATOM 0 HB3 HIS A 19 1.689 -9.713 -5.937 1.00 74.24 H new ATOM 0 HD2 HIS A 19 3.500 -11.543 -6.863 1.00 63.42 H new ATOM 0 HE1 HIS A 19 4.876 -12.979 -3.120 1.00 4.13 H new ATOM 0 HE2 HIS A 19 5.008 -13.277 -5.637 1.00 75.34 H new ATOM 313 N THR A 20 4.171 -8.810 -2.661 1.00 0.32 N ATOM 314 CA THR A 20 4.597 -8.780 -1.254 1.00 40.12 C ATOM 315 C THR A 20 4.796 -7.337 -0.764 1.00 50.50 C ATOM 316 O THR A 20 4.369 -6.974 0.335 1.00 30.15 O ATOM 317 CB THR A 20 5.910 -9.573 -1.050 1.00 73.33 C ATOM 318 OG1 THR A 20 5.757 -10.897 -1.582 1.00 43.31 O ATOM 319 CG2 THR A 20 6.288 -9.654 0.429 1.00 63.22 C ATOM 0 H THR A 20 4.851 -9.228 -3.296 1.00 0.32 H new ATOM 0 HA THR A 20 3.804 -9.248 -0.671 1.00 40.12 H new ATOM 0 HB THR A 20 6.709 -9.050 -1.575 1.00 73.33 H new ATOM 0 HG1 THR A 20 6.589 -11.399 -1.455 1.00 43.31 H new ATOM 0 HG21 THR A 20 7.215 -10.217 0.537 1.00 63.22 H new ATOM 0 HG22 THR A 20 6.427 -8.648 0.825 1.00 63.22 H new ATOM 0 HG23 THR A 20 5.492 -10.155 0.981 1.00 63.22 H new ATOM 327 N THR A 21 5.442 -6.518 -1.596 1.00 45.23 N ATOM 328 CA THR A 21 5.688 -5.105 -1.276 1.00 73.42 C ATOM 329 C THR A 21 4.371 -4.335 -1.113 1.00 2.30 C ATOM 330 O THR A 21 4.232 -3.500 -0.218 1.00 21.13 O ATOM 331 CB THR A 21 6.545 -4.423 -2.372 1.00 73.04 C ATOM 332 OG1 THR A 21 7.740 -5.188 -2.605 1.00 44.22 O ATOM 333 CG2 THR A 21 6.921 -2.996 -1.979 1.00 32.43 C ATOM 0 H THR A 21 5.807 -6.809 -2.503 1.00 45.23 H new ATOM 0 HA THR A 21 6.233 -5.083 -0.332 1.00 73.42 H new ATOM 0 HB THR A 21 5.949 -4.380 -3.284 1.00 73.04 H new ATOM 0 HG1 THR A 21 8.277 -4.753 -3.300 1.00 44.22 H new ATOM 0 HG21 THR A 21 7.522 -2.547 -2.770 1.00 32.43 H new ATOM 0 HG22 THR A 21 6.015 -2.408 -1.833 1.00 32.43 H new ATOM 0 HG23 THR A 21 7.495 -3.013 -1.053 1.00 32.43 H new ATOM 341 N VAL A 22 3.403 -4.632 -1.981 1.00 52.11 N ATOM 342 CA VAL A 22 2.070 -4.022 -1.898 1.00 33.13 C ATOM 343 C VAL A 22 1.420 -4.280 -0.526 1.00 75.53 C ATOM 344 O VAL A 22 0.944 -3.353 0.132 1.00 1.03 O ATOM 345 CB VAL A 22 1.135 -4.560 -3.013 1.00 53.33 C ATOM 346 CG1 VAL A 22 -0.266 -3.953 -2.905 1.00 31.42 C ATOM 347 CG2 VAL A 22 1.734 -4.294 -4.393 1.00 61.32 C ATOM 0 H VAL A 22 3.515 -5.291 -2.751 1.00 52.11 H new ATOM 0 HA VAL A 22 2.205 -2.949 -2.032 1.00 33.13 H new ATOM 0 HB VAL A 22 1.042 -5.638 -2.879 1.00 53.33 H new ATOM 0 HG11 VAL A 22 -0.897 -4.350 -3.700 1.00 31.42 H new ATOM 0 HG12 VAL A 22 -0.699 -4.207 -1.937 1.00 31.42 H new ATOM 0 HG13 VAL A 22 -0.201 -2.869 -3.000 1.00 31.42 H new ATOM 0 HG21 VAL A 22 1.063 -4.679 -5.161 1.00 61.32 H new ATOM 0 HG22 VAL A 22 1.867 -3.221 -4.531 1.00 61.32 H new ATOM 0 HG23 VAL A 22 2.700 -4.792 -4.472 1.00 61.32 H new ATOM 357 N ARG A 23 1.411 -5.547 -0.098 1.00 23.24 N ATOM 358 CA ARG A 23 0.875 -5.918 1.219 1.00 72.31 C ATOM 359 C ARG A 23 1.638 -5.204 2.348 1.00 4.33 C ATOM 360 O ARG A 23 1.037 -4.689 3.297 1.00 75.15 O ATOM 361 CB ARG A 23 0.964 -7.441 1.413 1.00 1.31 C ATOM 362 CG ARG A 23 0.393 -7.931 2.742 1.00 22.13 C ATOM 363 CD ARG A 23 0.613 -9.428 2.940 1.00 42.24 C ATOM 364 NE ARG A 23 0.077 -9.895 4.218 1.00 54.45 N ATOM 365 CZ ARG A 23 0.675 -10.763 4.994 1.00 44.11 C ATOM 366 NH1 ARG A 23 1.819 -11.265 4.658 1.00 22.14 N ATOM 367 NH2 ARG A 23 0.124 -11.136 6.104 1.00 12.01 N ATOM 0 H ARG A 23 1.768 -6.333 -0.642 1.00 23.24 H new ATOM 0 HA ARG A 23 -0.169 -5.607 1.260 1.00 72.31 H new ATOM 0 HB2 ARG A 23 0.433 -7.933 0.598 1.00 1.31 H new ATOM 0 HB3 ARG A 23 2.008 -7.746 1.343 1.00 1.31 H new ATOM 0 HG2 ARG A 23 0.860 -7.384 3.561 1.00 22.13 H new ATOM 0 HG3 ARG A 23 -0.674 -7.713 2.781 1.00 22.13 H new ATOM 0 HD2 ARG A 23 0.138 -9.975 2.126 1.00 42.24 H new ATOM 0 HD3 ARG A 23 1.680 -9.647 2.892 1.00 42.24 H new ATOM 0 HE ARG A 23 -0.821 -9.520 4.524 1.00 54.45 H new ATOM 0 HH11 ARG A 23 2.262 -10.985 3.783 1.00 22.14 H new ATOM 0 HH12 ARG A 23 2.278 -11.941 5.268 1.00 22.14 H new ATOM 0 HH21 ARG A 23 -0.781 -10.753 6.378 1.00 12.01 H new ATOM 0 HH22 ARG A 23 0.595 -11.813 6.705 1.00 12.01 H new ATOM 381 N ASN A 24 2.965 -5.175 2.228 1.00 1.00 N ATOM 382 CA ASN A 24 3.830 -4.534 3.226 1.00 5.43 C ATOM 383 C ASN A 24 3.506 -3.029 3.346 1.00 42.11 C ATOM 384 O ASN A 24 3.505 -2.467 4.446 1.00 72.04 O ATOM 385 CB ASN A 24 5.309 -4.739 2.835 1.00 30.23 C ATOM 386 CG ASN A 24 6.284 -4.623 4.002 1.00 1.41 C ATOM 387 OD1 ASN A 24 7.332 -5.257 4.003 1.00 35.01 O ATOM 388 ND2 ASN A 24 5.964 -3.826 5.001 1.00 71.24 N ATOM 0 H ASN A 24 3.470 -5.590 1.445 1.00 1.00 H new ATOM 0 HA ASN A 24 3.649 -4.994 4.197 1.00 5.43 H new ATOM 0 HB2 ASN A 24 5.420 -5.723 2.379 1.00 30.23 H new ATOM 0 HB3 ASN A 24 5.578 -4.004 2.076 1.00 30.23 H new ATOM 0 HD21 ASN A 24 6.594 -3.727 5.797 1.00 71.24 H new ATOM 0 HD22 ASN A 24 5.086 -3.308 4.979 1.00 71.24 H new ATOM 395 N ALA A 25 3.228 -2.390 2.210 1.00 62.12 N ATOM 396 CA ALA A 25 2.877 -0.964 2.180 1.00 23.52 C ATOM 397 C ALA A 25 1.505 -0.703 2.823 1.00 3.41 C ATOM 398 O ALA A 25 1.373 0.148 3.704 1.00 11.12 O ATOM 399 CB ALA A 25 2.900 -0.447 0.745 1.00 43.43 C ATOM 0 H ALA A 25 3.238 -2.837 1.293 1.00 62.12 H new ATOM 0 HA ALA A 25 3.622 -0.425 2.766 1.00 23.52 H new ATOM 0 HB1 ALA A 25 2.638 0.611 0.735 1.00 43.43 H new ATOM 0 HB2 ALA A 25 3.898 -0.578 0.327 1.00 43.43 H new ATOM 0 HB3 ALA A 25 2.180 -1.004 0.146 1.00 43.43 H new ATOM 405 N LEU A 26 0.489 -1.452 2.385 1.00 31.02 N ATOM 406 CA LEU A 26 -0.879 -1.311 2.913 1.00 23.24 C ATOM 407 C LEU A 26 -0.916 -1.393 4.448 1.00 71.32 C ATOM 408 O LEU A 26 -1.684 -0.681 5.099 1.00 64.42 O ATOM 409 CB LEU A 26 -1.789 -2.397 2.322 1.00 54.33 C ATOM 410 CG LEU A 26 -2.027 -2.307 0.805 1.00 44.54 C ATOM 411 CD1 LEU A 26 -2.859 -3.491 0.318 1.00 44.33 C ATOM 412 CD2 LEU A 26 -2.706 -0.983 0.442 1.00 12.11 C ATOM 0 H LEU A 26 0.585 -2.166 1.663 1.00 31.02 H new ATOM 0 HA LEU A 26 -1.238 -0.325 2.619 1.00 23.24 H new ATOM 0 HB2 LEU A 26 -1.356 -3.372 2.547 1.00 54.33 H new ATOM 0 HB3 LEU A 26 -2.754 -2.353 2.827 1.00 54.33 H new ATOM 0 HG LEU A 26 -1.059 -2.342 0.305 1.00 44.54 H new ATOM 0 HD11 LEU A 26 -3.016 -3.408 -0.757 1.00 44.33 H new ATOM 0 HD12 LEU A 26 -2.333 -4.420 0.537 1.00 44.33 H new ATOM 0 HD13 LEU A 26 -3.823 -3.492 0.826 1.00 44.33 H new ATOM 0 HD21 LEU A 26 -2.865 -0.939 -0.635 1.00 12.11 H new ATOM 0 HD22 LEU A 26 -3.666 -0.914 0.954 1.00 12.11 H new ATOM 0 HD23 LEU A 26 -2.071 -0.152 0.749 1.00 12.11 H new ATOM 424 N LYS A 27 -0.082 -2.263 5.015 1.00 63.30 N ATOM 425 CA LYS A 27 -0.013 -2.444 6.470 1.00 41.14 C ATOM 426 C LYS A 27 0.346 -1.118 7.177 1.00 31.22 C ATOM 427 O LYS A 27 -0.166 -0.816 8.257 1.00 21.35 O ATOM 428 CB LYS A 27 1.023 -3.538 6.809 1.00 32.50 C ATOM 429 CG LYS A 27 0.689 -4.379 8.046 1.00 15.53 C ATOM 430 CD LYS A 27 0.633 -3.550 9.326 1.00 71.22 C ATOM 431 CE LYS A 27 0.303 -4.405 10.544 1.00 53.50 C ATOM 432 NZ LYS A 27 0.168 -3.587 11.776 1.00 42.51 N ATOM 0 H LYS A 27 0.559 -2.857 4.489 1.00 63.30 H new ATOM 0 HA LYS A 27 -0.993 -2.757 6.830 1.00 41.14 H new ATOM 0 HB2 LYS A 27 1.122 -4.203 5.951 1.00 32.50 H new ATOM 0 HB3 LYS A 27 1.994 -3.065 6.960 1.00 32.50 H new ATOM 0 HG2 LYS A 27 -0.271 -4.873 7.896 1.00 15.53 H new ATOM 0 HG3 LYS A 27 1.437 -5.164 8.159 1.00 15.53 H new ATOM 0 HD2 LYS A 27 1.592 -3.054 9.480 1.00 71.22 H new ATOM 0 HD3 LYS A 27 -0.117 -2.767 9.218 1.00 71.22 H new ATOM 0 HE2 LYS A 27 -0.625 -4.948 10.365 1.00 53.50 H new ATOM 0 HE3 LYS A 27 1.086 -5.150 10.687 1.00 53.50 H new ATOM 0 HZ1 LYS A 27 -0.056 -4.206 12.581 1.00 42.51 H new ATOM 0 HZ2 LYS A 27 1.062 -3.088 11.961 1.00 42.51 H new ATOM 0 HZ3 LYS A 27 -0.596 -2.893 11.650 1.00 42.51 H new ATOM 446 N ASP A 28 1.209 -0.320 6.547 1.00 31.51 N ATOM 447 CA ASP A 28 1.669 0.939 7.141 1.00 3.30 C ATOM 448 C ASP A 28 0.524 1.964 7.227 1.00 71.44 C ATOM 449 O ASP A 28 0.348 2.627 8.249 1.00 3.44 O ATOM 450 CB ASP A 28 2.845 1.503 6.332 1.00 22.01 C ATOM 451 CG ASP A 28 3.579 2.615 7.066 1.00 44.05 C ATOM 452 OD1 ASP A 28 3.885 2.436 8.265 1.00 51.24 O ATOM 453 OD2 ASP A 28 3.866 3.665 6.449 1.00 44.40 O ATOM 0 H ASP A 28 1.603 -0.521 5.628 1.00 31.51 H new ATOM 0 HA ASP A 28 2.007 0.736 8.157 1.00 3.30 H new ATOM 0 HB2 ASP A 28 3.545 0.698 6.106 1.00 22.01 H new ATOM 0 HB3 ASP A 28 2.477 1.883 5.379 1.00 22.01 H new ATOM 458 N LEU A 29 -0.260 2.076 6.153 1.00 34.45 N ATOM 459 CA LEU A 29 -1.437 2.957 6.139 1.00 75.32 C ATOM 460 C LEU A 29 -2.500 2.459 7.134 1.00 54.44 C ATOM 461 O LEU A 29 -3.109 3.246 7.861 1.00 43.23 O ATOM 462 CB LEU A 29 -2.041 3.044 4.723 1.00 3.30 C ATOM 463 CG LEU A 29 -1.218 3.826 3.678 1.00 4.23 C ATOM 464 CD1 LEU A 29 -0.974 5.261 4.140 1.00 12.11 C ATOM 465 CD2 LEU A 29 0.101 3.119 3.370 1.00 54.30 C ATOM 0 H LEU A 29 -0.104 1.570 5.281 1.00 34.45 H new ATOM 0 HA LEU A 29 -1.113 3.953 6.440 1.00 75.32 H new ATOM 0 HB2 LEU A 29 -2.191 2.030 4.352 1.00 3.30 H new ATOM 0 HB3 LEU A 29 -3.026 3.505 4.798 1.00 3.30 H new ATOM 0 HG LEU A 29 -1.798 3.861 2.756 1.00 4.23 H new ATOM 0 HD11 LEU A 29 -0.392 5.792 3.387 1.00 12.11 H new ATOM 0 HD12 LEU A 29 -1.930 5.765 4.282 1.00 12.11 H new ATOM 0 HD13 LEU A 29 -0.426 5.252 5.082 1.00 12.11 H new ATOM 0 HD21 LEU A 29 0.658 3.694 2.631 1.00 54.30 H new ATOM 0 HD22 LEU A 29 0.690 3.034 4.283 1.00 54.30 H new ATOM 0 HD23 LEU A 29 -0.103 2.123 2.976 1.00 54.30 H new ATOM 477 N LEU A 30 -2.698 1.142 7.162 1.00 13.31 N ATOM 478 CA LEU A 30 -3.646 0.504 8.085 1.00 64.22 C ATOM 479 C LEU A 30 -3.326 0.846 9.554 1.00 64.42 C ATOM 480 O LEU A 30 -4.214 0.879 10.410 1.00 3.02 O ATOM 481 CB LEU A 30 -3.609 -1.019 7.878 1.00 44.21 C ATOM 482 CG LEU A 30 -4.620 -1.828 8.706 1.00 43.41 C ATOM 483 CD1 LEU A 30 -6.046 -1.427 8.350 1.00 31.12 C ATOM 484 CD2 LEU A 30 -4.407 -3.327 8.502 1.00 43.45 C ATOM 0 H LEU A 30 -2.211 0.487 6.551 1.00 13.31 H new ATOM 0 HA LEU A 30 -4.644 0.885 7.869 1.00 64.22 H new ATOM 0 HB2 LEU A 30 -3.782 -1.228 6.822 1.00 44.21 H new ATOM 0 HB3 LEU A 30 -2.606 -1.375 8.114 1.00 44.21 H new ATOM 0 HG LEU A 30 -4.458 -1.605 9.761 1.00 43.41 H new ATOM 0 HD11 LEU A 30 -6.748 -2.010 8.946 1.00 31.12 H new ATOM 0 HD12 LEU A 30 -6.188 -0.366 8.557 1.00 31.12 H new ATOM 0 HD13 LEU A 30 -6.224 -1.617 7.292 1.00 31.12 H new ATOM 0 HD21 LEU A 30 -5.133 -3.882 9.097 1.00 43.45 H new ATOM 0 HD22 LEU A 30 -4.538 -3.573 7.448 1.00 43.45 H new ATOM 0 HD23 LEU A 30 -3.399 -3.597 8.815 1.00 43.45 H new ATOM 496 N LYS A 31 -2.048 1.091 9.831 1.00 42.51 N ATOM 497 CA LYS A 31 -1.590 1.476 11.171 1.00 54.03 C ATOM 498 C LYS A 31 -2.106 2.874 11.577 1.00 13.33 C ATOM 499 O LYS A 31 -2.415 3.116 12.748 1.00 74.33 O ATOM 500 CB LYS A 31 -0.045 1.408 11.217 1.00 33.25 C ATOM 501 CG LYS A 31 0.602 1.967 12.494 1.00 1.35 C ATOM 502 CD LYS A 31 1.004 3.438 12.347 1.00 23.45 C ATOM 503 CE LYS A 31 2.049 3.637 11.249 1.00 13.54 C ATOM 504 NZ LYS A 31 2.392 5.071 11.047 1.00 44.42 N ATOM 0 H LYS A 31 -1.301 1.030 9.139 1.00 42.51 H new ATOM 0 HA LYS A 31 -2.002 0.775 11.897 1.00 54.03 H new ATOM 0 HB2 LYS A 31 0.260 0.368 11.101 1.00 33.25 H new ATOM 0 HB3 LYS A 31 0.351 1.953 10.361 1.00 33.25 H new ATOM 0 HG2 LYS A 31 -0.095 1.865 13.326 1.00 1.35 H new ATOM 0 HG3 LYS A 31 1.483 1.375 12.741 1.00 1.35 H new ATOM 0 HD2 LYS A 31 0.121 4.035 12.120 1.00 23.45 H new ATOM 0 HD3 LYS A 31 1.400 3.803 13.295 1.00 23.45 H new ATOM 0 HE2 LYS A 31 2.952 3.083 11.505 1.00 13.54 H new ATOM 0 HE3 LYS A 31 1.674 3.221 10.314 1.00 13.54 H new ATOM 0 HZ1 LYS A 31 1.931 5.420 10.182 1.00 44.42 H new ATOM 0 HZ2 LYS A 31 2.062 5.625 11.863 1.00 44.42 H new ATOM 0 HZ3 LYS A 31 3.423 5.172 10.954 1.00 44.42 H new ATOM 518 N ASP A 32 -2.214 3.786 10.610 1.00 33.51 N ATOM 519 CA ASP A 32 -2.649 5.161 10.891 1.00 71.24 C ATOM 520 C ASP A 32 -4.179 5.315 10.826 1.00 23.45 C ATOM 521 O ASP A 32 -4.805 5.722 11.808 1.00 63.22 O ATOM 522 CB ASP A 32 -1.972 6.142 9.931 1.00 55.44 C ATOM 523 CG ASP A 32 -0.467 6.167 10.125 1.00 4.03 C ATOM 524 OD1 ASP A 32 0.003 6.770 11.115 1.00 42.42 O ATOM 525 OD2 ASP A 32 0.256 5.578 9.304 1.00 35.33 O ATOM 0 H ASP A 32 -2.008 3.602 9.628 1.00 33.51 H new ATOM 0 HA ASP A 32 -2.346 5.392 11.912 1.00 71.24 H new ATOM 0 HB2 ASP A 32 -2.202 5.863 8.903 1.00 55.44 H new ATOM 0 HB3 ASP A 32 -2.376 7.142 10.088 1.00 55.44 H new ATOM 530 N MET A 33 -4.784 5.006 9.680 1.00 50.50 N ATOM 531 CA MET A 33 -6.246 5.125 9.523 1.00 51.30 C ATOM 532 C MET A 33 -6.939 3.754 9.567 1.00 73.34 C ATOM 533 O MET A 33 -6.416 2.760 9.062 1.00 44.42 O ATOM 534 CB MET A 33 -6.606 5.868 8.223 1.00 52.53 C ATOM 535 CG MET A 33 -5.897 5.353 6.976 1.00 62.13 C ATOM 536 SD MET A 33 -4.132 5.735 6.963 1.00 72.34 S ATOM 537 CE MET A 33 -4.163 7.518 7.130 1.00 44.11 C ATOM 0 H MET A 33 -4.296 4.673 8.849 1.00 50.50 H new ATOM 0 HA MET A 33 -6.611 5.709 10.368 1.00 51.30 H new ATOM 0 HB2 MET A 33 -7.682 5.798 8.067 1.00 52.53 H new ATOM 0 HB3 MET A 33 -6.370 6.925 8.348 1.00 52.53 H new ATOM 0 HG2 MET A 33 -6.030 4.273 6.908 1.00 62.13 H new ATOM 0 HG3 MET A 33 -6.364 5.788 6.093 1.00 62.13 H new ATOM 0 HE1 MET A 33 -3.251 7.939 6.708 1.00 44.11 H new ATOM 0 HE2 MET A 33 -5.027 7.918 6.599 1.00 44.11 H new ATOM 0 HE3 MET A 33 -4.231 7.784 8.185 1.00 44.11 H new ATOM 547 N ASN A 34 -8.125 3.714 10.178 1.00 43.35 N ATOM 548 CA ASN A 34 -8.874 2.460 10.353 1.00 71.34 C ATOM 549 C ASN A 34 -9.313 1.836 9.012 1.00 11.43 C ATOM 550 O ASN A 34 -9.457 2.526 7.999 1.00 34.04 O ATOM 551 CB ASN A 34 -10.096 2.690 11.258 1.00 44.31 C ATOM 552 CG ASN A 34 -9.717 2.891 12.718 1.00 74.52 C ATOM 553 OD1 ASN A 34 -9.618 1.937 13.484 1.00 11.21 O ATOM 554 ND2 ASN A 34 -9.514 4.127 13.123 1.00 43.01 N ATOM 0 H ASN A 34 -8.591 4.536 10.562 1.00 43.35 H new ATOM 0 HA ASN A 34 -8.197 1.750 10.828 1.00 71.34 H new ATOM 0 HB2 ASN A 34 -10.644 3.564 10.906 1.00 44.31 H new ATOM 0 HB3 ASN A 34 -10.769 1.837 11.176 1.00 44.31 H new ATOM 0 HD21 ASN A 34 -9.268 4.311 14.096 1.00 43.01 H new ATOM 0 HD22 ASN A 34 -9.603 4.901 12.464 1.00 43.01 H new ATOM 561 N GLN A 35 -9.551 0.521 9.044 1.00 34.24 N ATOM 562 CA GLN A 35 -9.887 -0.273 7.848 1.00 51.44 C ATOM 563 C GLN A 35 -10.966 0.393 6.970 1.00 24.01 C ATOM 564 O GLN A 35 -10.739 0.662 5.788 1.00 4.22 O ATOM 565 CB GLN A 35 -10.355 -1.674 8.285 1.00 34.10 C ATOM 566 CG GLN A 35 -9.304 -2.445 9.084 1.00 72.10 C ATOM 567 CD GLN A 35 -9.803 -3.762 9.671 1.00 51.34 C ATOM 568 OE1 GLN A 35 -9.333 -4.201 10.716 1.00 72.45 O ATOM 569 NE2 GLN A 35 -10.748 -4.405 9.015 1.00 74.41 N ATOM 0 H GLN A 35 -9.517 -0.029 9.902 1.00 34.24 H new ATOM 0 HA GLN A 35 -8.987 -0.344 7.238 1.00 51.44 H new ATOM 0 HB2 GLN A 35 -11.258 -1.575 8.887 1.00 34.10 H new ATOM 0 HB3 GLN A 35 -10.623 -2.251 7.400 1.00 34.10 H new ATOM 0 HG2 GLN A 35 -8.451 -2.649 8.437 1.00 72.10 H new ATOM 0 HG3 GLN A 35 -8.945 -1.812 9.895 1.00 72.10 H new ATOM 0 HE21 GLN A 35 -11.121 -4.018 8.148 1.00 74.41 H new ATOM 0 HE22 GLN A 35 -11.106 -5.290 9.374 1.00 74.41 H new ATOM 578 N SER A 36 -12.131 0.661 7.558 1.00 50.05 N ATOM 579 CA SER A 36 -13.253 1.270 6.823 1.00 2.55 C ATOM 580 C SER A 36 -12.877 2.630 6.215 1.00 41.41 C ATOM 581 O SER A 36 -13.269 2.952 5.092 1.00 60.55 O ATOM 582 CB SER A 36 -14.470 1.441 7.742 1.00 25.13 C ATOM 583 OG SER A 36 -15.551 2.049 7.051 1.00 53.32 O ATOM 0 H SER A 36 -12.328 0.468 8.540 1.00 50.05 H new ATOM 0 HA SER A 36 -13.501 0.592 6.007 1.00 2.55 H new ATOM 0 HB2 SER A 36 -14.780 0.469 8.125 1.00 25.13 H new ATOM 0 HB3 SER A 36 -14.196 2.050 8.603 1.00 25.13 H new ATOM 0 HG SER A 36 -16.314 2.145 7.658 1.00 53.32 H new ATOM 589 N SER A 37 -12.100 3.419 6.958 1.00 73.34 N ATOM 590 CA SER A 37 -11.702 4.766 6.511 1.00 43.21 C ATOM 591 C SER A 37 -10.766 4.708 5.295 1.00 64.13 C ATOM 592 O SER A 37 -10.960 5.427 4.311 1.00 53.24 O ATOM 593 CB SER A 37 -11.017 5.532 7.652 1.00 43.14 C ATOM 594 OG SER A 37 -10.648 6.850 7.261 1.00 74.04 O ATOM 0 H SER A 37 -11.731 3.154 7.871 1.00 73.34 H new ATOM 0 HA SER A 37 -12.611 5.290 6.216 1.00 43.21 H new ATOM 0 HB2 SER A 37 -11.688 5.582 8.509 1.00 43.14 H new ATOM 0 HB3 SER A 37 -10.129 4.987 7.973 1.00 43.14 H new ATOM 0 HG SER A 37 -10.217 7.306 8.014 1.00 74.04 H new ATOM 600 N LEU A 38 -9.749 3.855 5.372 1.00 53.01 N ATOM 601 CA LEU A 38 -8.779 3.699 4.282 1.00 51.00 C ATOM 602 C LEU A 38 -9.458 3.200 2.994 1.00 61.11 C ATOM 603 O LEU A 38 -9.152 3.670 1.893 1.00 40.35 O ATOM 604 CB LEU A 38 -7.668 2.727 4.711 1.00 13.21 C ATOM 605 CG LEU A 38 -6.545 2.502 3.683 1.00 64.34 C ATOM 606 CD1 LEU A 38 -5.820 3.813 3.370 1.00 1.33 C ATOM 607 CD2 LEU A 38 -5.560 1.444 4.182 1.00 2.41 C ATOM 0 H LEU A 38 -9.571 3.257 6.179 1.00 53.01 H new ATOM 0 HA LEU A 38 -8.343 4.675 4.070 1.00 51.00 H new ATOM 0 HB2 LEU A 38 -7.222 3.098 5.634 1.00 13.21 H new ATOM 0 HB3 LEU A 38 -8.123 1.764 4.942 1.00 13.21 H new ATOM 0 HG LEU A 38 -6.998 2.139 2.761 1.00 64.34 H new ATOM 0 HD11 LEU A 38 -5.031 3.627 2.641 1.00 1.33 H new ATOM 0 HD12 LEU A 38 -6.530 4.533 2.961 1.00 1.33 H new ATOM 0 HD13 LEU A 38 -5.382 4.214 4.284 1.00 1.33 H new ATOM 0 HD21 LEU A 38 -4.774 1.300 3.441 1.00 2.41 H new ATOM 0 HD22 LEU A 38 -5.117 1.774 5.121 1.00 2.41 H new ATOM 0 HD23 LEU A 38 -6.086 0.503 4.340 1.00 2.41 H new ATOM 619 N ALA A 39 -10.405 2.273 3.150 1.00 0.55 N ATOM 620 CA ALA A 39 -11.116 1.662 2.014 1.00 21.24 C ATOM 621 C ALA A 39 -11.854 2.691 1.138 1.00 22.11 C ATOM 622 O ALA A 39 -12.250 2.383 0.014 1.00 75.21 O ATOM 623 CB ALA A 39 -12.096 0.610 2.520 1.00 60.13 C ATOM 0 H ALA A 39 -10.703 1.923 4.060 1.00 0.55 H new ATOM 0 HA ALA A 39 -10.359 1.197 1.382 1.00 21.24 H new ATOM 0 HB1 ALA A 39 -12.618 0.162 1.674 1.00 60.13 H new ATOM 0 HB2 ALA A 39 -11.552 -0.164 3.061 1.00 60.13 H new ATOM 0 HB3 ALA A 39 -12.820 1.078 3.187 1.00 60.13 H new ATOM 629 N LYS A 40 -12.056 3.902 1.655 1.00 54.22 N ATOM 630 CA LYS A 40 -12.733 4.965 0.893 1.00 60.25 C ATOM 631 C LYS A 40 -11.734 5.873 0.151 1.00 71.12 C ATOM 632 O LYS A 40 -12.077 6.497 -0.857 1.00 2.02 O ATOM 633 CB LYS A 40 -13.625 5.803 1.821 1.00 22.32 C ATOM 634 CG LYS A 40 -14.797 5.025 2.417 1.00 0.21 C ATOM 635 CD LYS A 40 -15.727 5.931 3.217 1.00 42.11 C ATOM 636 CE LYS A 40 -16.979 5.193 3.683 1.00 73.34 C ATOM 637 NZ LYS A 40 -17.947 6.110 4.346 1.00 35.13 N ATOM 0 H LYS A 40 -11.764 4.176 2.593 1.00 54.22 H new ATOM 0 HA LYS A 40 -13.353 4.479 0.140 1.00 60.25 H new ATOM 0 HB2 LYS A 40 -13.016 6.202 2.632 1.00 22.32 H new ATOM 0 HB3 LYS A 40 -14.013 6.656 1.264 1.00 22.32 H new ATOM 0 HG2 LYS A 40 -15.358 4.543 1.617 1.00 0.21 H new ATOM 0 HG3 LYS A 40 -14.417 4.233 3.062 1.00 0.21 H new ATOM 0 HD2 LYS A 40 -15.194 6.324 4.083 1.00 42.11 H new ATOM 0 HD3 LYS A 40 -16.016 6.786 2.605 1.00 42.11 H new ATOM 0 HE2 LYS A 40 -17.458 4.715 2.829 1.00 73.34 H new ATOM 0 HE3 LYS A 40 -16.697 4.400 4.375 1.00 73.34 H new ATOM 0 HZ1 LYS A 40 -18.784 5.572 4.648 1.00 35.13 H new ATOM 0 HZ2 LYS A 40 -17.498 6.547 5.176 1.00 35.13 H new ATOM 0 HZ3 LYS A 40 -18.236 6.852 3.677 1.00 35.13 H new ATOM 651 N GLU A 41 -10.501 5.945 0.646 1.00 23.35 N ATOM 652 CA GLU A 41 -9.459 6.766 0.015 1.00 50.31 C ATOM 653 C GLU A 41 -8.806 6.016 -1.159 1.00 62.50 C ATOM 654 O GLU A 41 -8.460 6.610 -2.186 1.00 54.02 O ATOM 655 CB GLU A 41 -8.398 7.155 1.054 1.00 22.24 C ATOM 656 CG GLU A 41 -8.959 7.894 2.268 1.00 64.22 C ATOM 657 CD GLU A 41 -9.695 9.174 1.894 1.00 50.33 C ATOM 658 OE1 GLU A 41 -9.030 10.151 1.500 1.00 32.30 O ATOM 659 OE2 GLU A 41 -10.944 9.214 1.994 1.00 74.43 O ATOM 0 H GLU A 41 -10.194 5.447 1.482 1.00 23.35 H new ATOM 0 HA GLU A 41 -9.923 7.671 -0.377 1.00 50.31 H new ATOM 0 HB2 GLU A 41 -7.889 6.253 1.394 1.00 22.24 H new ATOM 0 HB3 GLU A 41 -7.647 7.783 0.574 1.00 22.24 H new ATOM 0 HG2 GLU A 41 -9.639 7.234 2.807 1.00 64.22 H new ATOM 0 HG3 GLU A 41 -8.143 8.136 2.949 1.00 64.22 H new ATOM 666 N CYS A 42 -8.639 4.709 -0.990 1.00 12.10 N ATOM 667 CA CYS A 42 -8.103 3.834 -2.041 1.00 14.31 C ATOM 668 C CYS A 42 -9.245 3.131 -2.790 1.00 75.44 C ATOM 669 O CYS A 42 -10.231 2.729 -2.175 1.00 14.31 O ATOM 670 CB CYS A 42 -7.161 2.782 -1.436 1.00 5.10 C ATOM 671 SG CYS A 42 -7.965 1.643 -0.281 1.00 65.42 S ATOM 0 H CYS A 42 -8.869 4.221 -0.124 1.00 12.10 H new ATOM 0 HA CYS A 42 -7.543 4.452 -2.743 1.00 14.31 H new ATOM 0 HB2 CYS A 42 -6.712 2.205 -2.244 1.00 5.10 H new ATOM 0 HB3 CYS A 42 -6.348 3.293 -0.919 1.00 5.10 H new ATOM 0 HG CYS A 42 -8.509 2.319 0.687 1.00 65.42 H new ATOM 677 N PRO A 43 -9.145 2.970 -4.128 1.00 43.41 N ATOM 678 CA PRO A 43 -10.170 2.253 -4.924 1.00 4.40 C ATOM 679 C PRO A 43 -10.162 0.728 -4.669 1.00 23.33 C ATOM 680 O PRO A 43 -10.482 -0.072 -5.553 1.00 53.14 O ATOM 681 CB PRO A 43 -9.758 2.567 -6.372 1.00 44.02 C ATOM 682 CG PRO A 43 -8.286 2.795 -6.303 1.00 14.43 C ATOM 683 CD PRO A 43 -8.032 3.454 -4.970 1.00 31.21 C ATOM 0 HA PRO A 43 -11.183 2.567 -4.672 1.00 4.40 H new ATOM 0 HB2 PRO A 43 -10.000 1.741 -7.041 1.00 44.02 H new ATOM 0 HB3 PRO A 43 -10.278 3.447 -6.750 1.00 44.02 H new ATOM 0 HG2 PRO A 43 -7.741 1.855 -6.384 1.00 14.43 H new ATOM 0 HG3 PRO A 43 -7.950 3.430 -7.123 1.00 14.43 H new ATOM 0 HD2 PRO A 43 -7.064 3.168 -4.559 1.00 31.21 H new ATOM 0 HD3 PRO A 43 -8.035 4.541 -5.053 1.00 31.21 H new ATOM 691 N LEU A 44 -9.827 0.337 -3.439 1.00 34.11 N ATOM 692 CA LEU A 44 -9.644 -1.066 -3.074 1.00 11.23 C ATOM 693 C LEU A 44 -10.537 -1.438 -1.877 1.00 15.51 C ATOM 694 O LEU A 44 -10.365 -0.909 -0.778 1.00 14.20 O ATOM 695 CB LEU A 44 -8.168 -1.302 -2.724 1.00 0.10 C ATOM 696 CG LEU A 44 -7.161 -0.832 -3.792 1.00 3.12 C ATOM 697 CD1 LEU A 44 -5.736 -0.871 -3.248 1.00 45.24 C ATOM 698 CD2 LEU A 44 -7.288 -1.670 -5.064 1.00 62.10 C ATOM 0 H LEU A 44 -9.675 0.986 -2.667 1.00 34.11 H new ATOM 0 HA LEU A 44 -9.929 -1.696 -3.917 1.00 11.23 H new ATOM 0 HB2 LEU A 44 -7.946 -0.790 -1.787 1.00 0.10 H new ATOM 0 HB3 LEU A 44 -8.018 -2.367 -2.549 1.00 0.10 H new ATOM 0 HG LEU A 44 -7.393 0.202 -4.048 1.00 3.12 H new ATOM 0 HD11 LEU A 44 -5.043 -0.535 -4.019 1.00 45.24 H new ATOM 0 HD12 LEU A 44 -5.660 -0.215 -2.381 1.00 45.24 H new ATOM 0 HD13 LEU A 44 -5.486 -1.891 -2.955 1.00 45.24 H new ATOM 0 HD21 LEU A 44 -6.568 -1.320 -5.804 1.00 62.10 H new ATOM 0 HD22 LEU A 44 -7.090 -2.716 -4.832 1.00 62.10 H new ATOM 0 HD23 LEU A 44 -8.297 -1.572 -5.465 1.00 62.10 H new ATOM 710 N SER A 45 -11.491 -2.339 -2.101 1.00 72.04 N ATOM 711 CA SER A 45 -12.420 -2.777 -1.047 1.00 42.52 C ATOM 712 C SER A 45 -11.678 -3.294 0.196 1.00 43.21 C ATOM 713 O SER A 45 -10.698 -4.037 0.085 1.00 31.52 O ATOM 714 CB SER A 45 -13.359 -3.870 -1.583 1.00 13.42 C ATOM 715 OG SER A 45 -14.148 -3.385 -2.660 1.00 4.43 O ATOM 0 H SER A 45 -11.646 -2.785 -3.005 1.00 72.04 H new ATOM 0 HA SER A 45 -13.004 -1.906 -0.749 1.00 42.52 H new ATOM 0 HB2 SER A 45 -12.772 -4.727 -1.915 1.00 13.42 H new ATOM 0 HB3 SER A 45 -14.009 -4.220 -0.781 1.00 13.42 H new ATOM 0 HG SER A 45 -14.735 -4.100 -2.983 1.00 4.43 H new ATOM 721 N GLN A 46 -12.168 -2.912 1.379 1.00 1.01 N ATOM 722 CA GLN A 46 -11.530 -3.273 2.658 1.00 73.23 C ATOM 723 C GLN A 46 -11.278 -4.786 2.780 1.00 60.33 C ATOM 724 O GLN A 46 -10.253 -5.213 3.314 1.00 62.31 O ATOM 725 CB GLN A 46 -12.398 -2.785 3.833 1.00 74.23 C ATOM 726 CG GLN A 46 -11.860 -3.166 5.217 1.00 15.53 C ATOM 727 CD GLN A 46 -12.763 -4.133 5.978 1.00 11.23 C ATOM 728 OE1 GLN A 46 -12.808 -4.121 7.203 1.00 75.12 O ATOM 729 NE2 GLN A 46 -13.501 -4.967 5.269 1.00 3.12 N ATOM 0 H GLN A 46 -13.012 -2.348 1.482 1.00 1.01 H new ATOM 0 HA GLN A 46 -10.558 -2.781 2.688 1.00 73.23 H new ATOM 0 HB2 GLN A 46 -12.487 -1.700 3.777 1.00 74.23 H new ATOM 0 HB3 GLN A 46 -13.402 -3.194 3.722 1.00 74.23 H new ATOM 0 HG2 GLN A 46 -10.874 -3.616 5.103 1.00 15.53 H new ATOM 0 HG3 GLN A 46 -11.731 -2.260 5.809 1.00 15.53 H new ATOM 0 HE21 GLN A 46 -13.446 -4.957 4.251 1.00 3.12 H new ATOM 0 HE22 GLN A 46 -14.127 -5.621 5.740 1.00 3.12 H new ATOM 738 N SER A 47 -12.214 -5.589 2.279 1.00 35.42 N ATOM 739 CA SER A 47 -12.084 -7.054 2.300 1.00 1.03 C ATOM 740 C SER A 47 -10.827 -7.514 1.543 1.00 13.15 C ATOM 741 O SER A 47 -10.196 -8.505 1.907 1.00 61.22 O ATOM 742 CB SER A 47 -13.334 -7.710 1.687 1.00 54.32 C ATOM 743 OG SER A 47 -14.522 -7.283 2.340 1.00 34.20 O ATOM 0 H SER A 47 -13.077 -5.253 1.850 1.00 35.42 H new ATOM 0 HA SER A 47 -11.988 -7.365 3.340 1.00 1.03 H new ATOM 0 HB2 SER A 47 -13.392 -7.464 0.627 1.00 54.32 H new ATOM 0 HB3 SER A 47 -13.249 -8.794 1.758 1.00 54.32 H new ATOM 0 HG SER A 47 -15.297 -7.717 1.926 1.00 34.20 H new ATOM 749 N MET A 48 -10.456 -6.769 0.497 1.00 61.22 N ATOM 750 CA MET A 48 -9.244 -7.059 -0.285 1.00 13.12 C ATOM 751 C MET A 48 -7.972 -6.734 0.513 1.00 35.40 C ATOM 752 O MET A 48 -6.859 -7.010 0.068 1.00 55.51 O ATOM 753 CB MET A 48 -9.240 -6.253 -1.589 1.00 31.40 C ATOM 754 CG MET A 48 -10.400 -6.559 -2.522 1.00 43.52 C ATOM 755 SD MET A 48 -10.327 -5.572 -4.027 1.00 43.44 S ATOM 756 CE MET A 48 -11.800 -6.130 -4.879 1.00 0.42 C ATOM 0 H MET A 48 -10.978 -5.957 0.169 1.00 61.22 H new ATOM 0 HA MET A 48 -9.252 -8.125 -0.513 1.00 13.12 H new ATOM 0 HB2 MET A 48 -9.257 -5.191 -1.345 1.00 31.40 H new ATOM 0 HB3 MET A 48 -8.306 -6.444 -2.117 1.00 31.40 H new ATOM 0 HG2 MET A 48 -10.389 -7.618 -2.781 1.00 43.52 H new ATOM 0 HG3 MET A 48 -11.341 -6.367 -2.007 1.00 43.52 H new ATOM 0 HE1 MET A 48 -11.890 -5.606 -5.831 1.00 0.42 H new ATOM 0 HE2 MET A 48 -11.731 -7.203 -5.060 1.00 0.42 H new ATOM 0 HE3 MET A 48 -12.676 -5.921 -4.265 1.00 0.42 H new ATOM 766 N ILE A 49 -8.138 -6.092 1.664 1.00 60.31 N ATOM 767 CA ILE A 49 -7.019 -5.798 2.565 1.00 12.14 C ATOM 768 C ILE A 49 -6.988 -6.800 3.729 1.00 44.45 C ATOM 769 O ILE A 49 -5.996 -7.504 3.932 1.00 44.55 O ATOM 770 CB ILE A 49 -7.113 -4.355 3.129 1.00 51.54 C ATOM 771 CG1 ILE A 49 -7.179 -3.335 1.977 1.00 11.14 C ATOM 772 CG2 ILE A 49 -5.928 -4.051 4.052 1.00 71.13 C ATOM 773 CD1 ILE A 49 -7.340 -1.898 2.436 1.00 65.42 C ATOM 0 H ILE A 49 -9.042 -5.761 2.001 1.00 60.31 H new ATOM 0 HA ILE A 49 -6.100 -5.886 1.985 1.00 12.14 H new ATOM 0 HB ILE A 49 -8.027 -4.275 3.717 1.00 51.54 H new ATOM 0 HG12 ILE A 49 -6.270 -3.416 1.381 1.00 11.14 H new ATOM 0 HG13 ILE A 49 -8.013 -3.593 1.324 1.00 11.14 H new ATOM 0 HG21 ILE A 49 -6.016 -3.034 4.435 1.00 71.13 H new ATOM 0 HG22 ILE A 49 -5.926 -4.753 4.885 1.00 71.13 H new ATOM 0 HG23 ILE A 49 -4.997 -4.149 3.493 1.00 71.13 H new ATOM 0 HD11 ILE A 49 -7.378 -1.241 1.567 1.00 65.42 H new ATOM 0 HD12 ILE A 49 -8.263 -1.800 3.007 1.00 65.42 H new ATOM 0 HD13 ILE A 49 -6.494 -1.620 3.064 1.00 65.42 H new ATOM 785 N SER A 50 -8.098 -6.873 4.463 1.00 44.30 N ATOM 786 CA SER A 50 -8.229 -7.771 5.621 1.00 1.14 C ATOM 787 C SER A 50 -7.908 -9.228 5.256 1.00 74.41 C ATOM 788 O SER A 50 -7.119 -9.891 5.937 1.00 4.41 O ATOM 789 CB SER A 50 -9.654 -7.690 6.184 1.00 73.43 C ATOM 790 OG SER A 50 -10.603 -8.085 5.206 1.00 43.11 O ATOM 0 H SER A 50 -8.932 -6.315 4.277 1.00 44.30 H new ATOM 0 HA SER A 50 -7.509 -7.445 6.372 1.00 1.14 H new ATOM 0 HB2 SER A 50 -9.741 -8.331 7.062 1.00 73.43 H new ATOM 0 HB3 SER A 50 -9.864 -6.672 6.511 1.00 73.43 H new ATOM 0 HG SER A 50 -11.505 -8.028 5.584 1.00 43.11 H new ATOM 796 N SER A 51 -8.514 -9.716 4.174 1.00 4.25 N ATOM 797 CA SER A 51 -8.327 -11.107 3.727 1.00 42.51 C ATOM 798 C SER A 51 -6.849 -11.437 3.467 1.00 65.14 C ATOM 799 O SER A 51 -6.345 -12.461 3.921 1.00 32.44 O ATOM 800 CB SER A 51 -9.147 -11.381 2.454 1.00 51.35 C ATOM 801 OG SER A 51 -10.535 -11.149 2.665 1.00 52.53 O ATOM 0 H SER A 51 -9.143 -9.170 3.585 1.00 4.25 H new ATOM 0 HA SER A 51 -8.679 -11.749 4.534 1.00 42.51 H new ATOM 0 HB2 SER A 51 -8.790 -10.743 1.646 1.00 51.35 H new ATOM 0 HB3 SER A 51 -8.994 -12.413 2.137 1.00 51.35 H new ATOM 0 HG SER A 51 -10.745 -10.213 2.463 1.00 52.53 H new ATOM 807 N ILE A 52 -6.153 -10.556 2.751 1.00 30.01 N ATOM 808 CA ILE A 52 -4.748 -10.789 2.383 1.00 34.14 C ATOM 809 C ILE A 52 -3.815 -10.744 3.609 1.00 54.05 C ATOM 810 O ILE A 52 -2.842 -11.494 3.692 1.00 71.54 O ATOM 811 CB ILE A 52 -4.269 -9.759 1.325 1.00 33.24 C ATOM 812 CG1 ILE A 52 -5.103 -9.890 0.037 1.00 1.15 C ATOM 813 CG2 ILE A 52 -2.777 -9.930 1.025 1.00 35.22 C ATOM 814 CD1 ILE A 52 -4.676 -8.948 -1.074 1.00 62.25 C ATOM 0 H ILE A 52 -6.534 -9.673 2.412 1.00 30.01 H new ATOM 0 HA ILE A 52 -4.699 -11.790 1.955 1.00 34.14 H new ATOM 0 HB ILE A 52 -4.413 -8.759 1.733 1.00 33.24 H new ATOM 0 HG12 ILE A 52 -5.035 -10.916 -0.325 1.00 1.15 H new ATOM 0 HG13 ILE A 52 -6.151 -9.704 0.274 1.00 1.15 H new ATOM 0 HG21 ILE A 52 -2.469 -9.196 0.281 1.00 35.22 H new ATOM 0 HG22 ILE A 52 -2.203 -9.783 1.940 1.00 35.22 H new ATOM 0 HG23 ILE A 52 -2.596 -10.934 0.641 1.00 35.22 H new ATOM 0 HD11 ILE A 52 -5.312 -9.102 -1.946 1.00 62.25 H new ATOM 0 HD12 ILE A 52 -4.771 -7.917 -0.733 1.00 62.25 H new ATOM 0 HD13 ILE A 52 -3.638 -9.148 -1.342 1.00 62.25 H new ATOM 826 N VAL A 53 -4.117 -9.861 4.559 1.00 41.15 N ATOM 827 CA VAL A 53 -3.306 -9.732 5.777 1.00 4.40 C ATOM 828 C VAL A 53 -3.560 -10.885 6.766 1.00 34.41 C ATOM 829 O VAL A 53 -2.629 -11.385 7.403 1.00 23.13 O ATOM 830 CB VAL A 53 -3.572 -8.379 6.487 1.00 51.12 C ATOM 831 CG1 VAL A 53 -2.737 -8.248 7.764 1.00 12.32 C ATOM 832 CG2 VAL A 53 -3.291 -7.214 5.537 1.00 65.50 C ATOM 0 H VAL A 53 -4.913 -9.225 4.513 1.00 41.15 H new ATOM 0 HA VAL A 53 -2.264 -9.774 5.459 1.00 4.40 H new ATOM 0 HB VAL A 53 -4.623 -8.350 6.773 1.00 51.12 H new ATOM 0 HG11 VAL A 53 -2.946 -7.289 8.239 1.00 12.32 H new ATOM 0 HG12 VAL A 53 -2.992 -9.056 8.450 1.00 12.32 H new ATOM 0 HG13 VAL A 53 -1.678 -8.306 7.514 1.00 12.32 H new ATOM 0 HG21 VAL A 53 -3.482 -6.272 6.050 1.00 65.50 H new ATOM 0 HG22 VAL A 53 -2.249 -7.248 5.218 1.00 65.50 H new ATOM 0 HG23 VAL A 53 -3.941 -7.291 4.665 1.00 65.50 H new ATOM 842 N ASN A 54 -4.819 -11.314 6.871 1.00 33.04 N ATOM 843 CA ASN A 54 -5.225 -12.323 7.864 1.00 53.24 C ATOM 844 C ASN A 54 -5.507 -13.699 7.231 1.00 73.21 C ATOM 845 O ASN A 54 -6.153 -14.551 7.843 1.00 63.32 O ATOM 846 CB ASN A 54 -6.470 -11.832 8.613 1.00 51.30 C ATOM 847 CG ASN A 54 -6.214 -10.544 9.375 1.00 72.31 C ATOM 848 OD1 ASN A 54 -5.820 -10.559 10.536 1.00 61.10 O ATOM 849 ND2 ASN A 54 -6.428 -9.419 8.726 1.00 5.34 N ATOM 0 H ASN A 54 -5.581 -10.980 6.281 1.00 33.04 H new ATOM 0 HA ASN A 54 -4.392 -12.453 8.555 1.00 53.24 H new ATOM 0 HB2 ASN A 54 -7.281 -11.676 7.902 1.00 51.30 H new ATOM 0 HB3 ASN A 54 -6.801 -12.603 9.309 1.00 51.30 H new ATOM 0 HD21 ASN A 54 -6.266 -8.525 9.189 1.00 5.34 H new ATOM 0 HD22 ASN A 54 -6.756 -9.442 7.760 1.00 5.34 H new ATOM 856 N SER A 55 -5.010 -13.923 6.016 1.00 11.42 N ATOM 857 CA SER A 55 -5.208 -15.209 5.323 1.00 42.44 C ATOM 858 C SER A 55 -4.482 -16.360 6.044 1.00 3.32 C ATOM 859 O SER A 55 -3.380 -16.181 6.569 1.00 55.54 O ATOM 860 CB SER A 55 -4.717 -15.125 3.873 1.00 23.24 C ATOM 861 OG SER A 55 -4.939 -16.348 3.181 1.00 20.14 O ATOM 0 H SER A 55 -4.469 -13.239 5.487 1.00 11.42 H new ATOM 0 HA SER A 55 -6.278 -15.417 5.332 1.00 42.44 H new ATOM 0 HB2 SER A 55 -5.233 -14.315 3.358 1.00 23.24 H new ATOM 0 HB3 SER A 55 -3.654 -14.885 3.860 1.00 23.24 H new ATOM 0 HG SER A 55 -5.746 -16.270 2.630 1.00 20.14 H new ATOM 867 N THR A 56 -5.097 -17.546 6.052 1.00 74.03 N ATOM 868 CA THR A 56 -4.535 -18.715 6.753 1.00 1.13 C ATOM 869 C THR A 56 -3.198 -19.162 6.143 1.00 41.04 C ATOM 870 O THR A 56 -2.138 -19.000 6.753 1.00 43.13 O ATOM 871 CB THR A 56 -5.517 -19.915 6.744 1.00 44.31 C ATOM 872 OG1 THR A 56 -5.797 -20.320 5.393 1.00 44.12 O ATOM 873 CG2 THR A 56 -6.819 -19.560 7.453 1.00 14.12 C ATOM 0 H THR A 56 -5.984 -17.727 5.582 1.00 74.03 H new ATOM 0 HA THR A 56 -4.366 -18.396 7.782 1.00 1.13 H new ATOM 0 HB THR A 56 -5.044 -20.740 7.277 1.00 44.31 H new ATOM 0 HG1 THR A 56 -6.417 -21.079 5.401 1.00 44.12 H new ATOM 0 HG21 THR A 56 -7.490 -20.419 7.433 1.00 14.12 H new ATOM 0 HG22 THR A 56 -6.608 -19.289 8.487 1.00 14.12 H new ATOM 0 HG23 THR A 56 -7.291 -18.718 6.947 1.00 14.12 H new ATOM 881 N TYR A 57 -3.253 -19.735 4.939 1.00 5.45 N ATOM 882 CA TYR A 57 -2.040 -20.166 4.224 1.00 71.44 C ATOM 883 C TYR A 57 -1.683 -19.176 3.102 1.00 35.23 C ATOM 884 O TYR A 57 -0.821 -19.450 2.263 1.00 44.20 O ATOM 885 CB TYR A 57 -2.229 -21.587 3.650 1.00 31.42 C ATOM 886 CG TYR A 57 -3.095 -21.666 2.399 1.00 73.35 C ATOM 887 CD1 TYR A 57 -4.466 -21.426 2.449 1.00 61.51 C ATOM 888 CD2 TYR A 57 -2.532 -21.987 1.166 1.00 32.22 C ATOM 889 CE1 TYR A 57 -5.245 -21.502 1.306 1.00 20.31 C ATOM 890 CE2 TYR A 57 -3.305 -22.063 0.025 1.00 34.43 C ATOM 891 CZ TYR A 57 -4.658 -21.820 0.098 1.00 21.33 C ATOM 892 OH TYR A 57 -5.429 -21.900 -1.043 1.00 52.03 O ATOM 0 H TYR A 57 -4.122 -19.913 4.435 1.00 5.45 H new ATOM 0 HA TYR A 57 -1.215 -20.185 4.936 1.00 71.44 H new ATOM 0 HB2 TYR A 57 -1.248 -22.004 3.422 1.00 31.42 H new ATOM 0 HB3 TYR A 57 -2.672 -22.218 4.421 1.00 31.42 H new ATOM 0 HD1 TYR A 57 -4.929 -21.177 3.393 1.00 61.51 H new ATOM 0 HD2 TYR A 57 -1.471 -22.180 1.102 1.00 32.22 H new ATOM 0 HE1 TYR A 57 -6.307 -21.313 1.360 1.00 20.31 H new ATOM 0 HE2 TYR A 57 -2.850 -22.312 -0.922 1.00 34.43 H new ATOM 0 HH TYR A 57 -4.860 -22.133 -1.806 1.00 52.03 H new ATOM 902 N TYR A 58 -2.350 -18.016 3.117 1.00 52.12 N ATOM 903 CA TYR A 58 -2.168 -16.968 2.104 1.00 23.45 C ATOM 904 C TYR A 58 -2.679 -17.406 0.725 1.00 62.34 C ATOM 905 O TYR A 58 -1.996 -18.112 -0.018 1.00 41.52 O ATOM 906 CB TYR A 58 -0.705 -16.507 2.040 1.00 64.11 C ATOM 907 CG TYR A 58 -0.265 -15.778 3.296 1.00 71.04 C ATOM 908 CD1 TYR A 58 -0.788 -14.527 3.602 1.00 14.43 C ATOM 909 CD2 TYR A 58 0.658 -16.336 4.175 1.00 72.41 C ATOM 910 CE1 TYR A 58 -0.401 -13.852 4.742 1.00 74.55 C ATOM 911 CE2 TYR A 58 1.049 -15.664 5.319 1.00 0.15 C ATOM 912 CZ TYR A 58 0.516 -14.424 5.598 1.00 72.12 C ATOM 913 OH TYR A 58 0.907 -13.747 6.735 1.00 1.43 O ATOM 0 H TYR A 58 -3.034 -17.776 3.835 1.00 52.12 H new ATOM 0 HA TYR A 58 -2.774 -16.115 2.410 1.00 23.45 H new ATOM 0 HB2 TYR A 58 -0.062 -17.373 1.884 1.00 64.11 H new ATOM 0 HB3 TYR A 58 -0.572 -15.852 1.179 1.00 64.11 H new ATOM 0 HD1 TYR A 58 -1.509 -14.076 2.937 1.00 14.43 H new ATOM 0 HD2 TYR A 58 1.076 -17.309 3.961 1.00 72.41 H new ATOM 0 HE1 TYR A 58 -0.815 -12.879 4.963 1.00 74.55 H new ATOM 0 HE2 TYR A 58 1.769 -16.109 5.990 1.00 0.15 H new ATOM 0 HH TYR A 58 1.557 -14.288 7.230 1.00 1.43 H new ATOM 923 N ALA A 59 -3.890 -16.968 0.391 1.00 45.31 N ATOM 924 CA ALA A 59 -4.524 -17.298 -0.893 1.00 15.24 C ATOM 925 C ALA A 59 -3.987 -16.428 -2.050 1.00 43.02 C ATOM 926 O ALA A 59 -4.709 -16.150 -3.007 1.00 31.42 O ATOM 927 CB ALA A 59 -6.037 -17.138 -0.761 1.00 34.34 C ATOM 0 H ALA A 59 -4.461 -16.377 0.995 1.00 45.31 H new ATOM 0 HA ALA A 59 -4.279 -18.332 -1.137 1.00 15.24 H new ATOM 0 HB1 ALA A 59 -6.513 -17.382 -1.711 1.00 34.34 H new ATOM 0 HB2 ALA A 59 -6.408 -17.810 0.013 1.00 34.34 H new ATOM 0 HB3 ALA A 59 -6.272 -16.108 -0.491 1.00 34.34 H new ATOM 933 N ASN A 60 -2.706 -16.037 -1.959 1.00 32.44 N ATOM 934 CA ASN A 60 -2.047 -15.189 -2.970 1.00 74.54 C ATOM 935 C ASN A 60 -2.577 -13.740 -2.946 1.00 12.41 C ATOM 936 O ASN A 60 -3.783 -13.501 -2.887 1.00 40.20 O ATOM 937 CB ASN A 60 -2.206 -15.792 -4.378 1.00 60.41 C ATOM 938 CG ASN A 60 -1.546 -14.952 -5.457 1.00 41.21 C ATOM 939 OD1 ASN A 60 -0.534 -14.296 -5.225 1.00 72.44 O ATOM 940 ND2 ASN A 60 -2.116 -14.960 -6.644 1.00 15.32 N ATOM 0 H ASN A 60 -2.097 -16.299 -1.184 1.00 32.44 H new ATOM 0 HA ASN A 60 -0.987 -15.156 -2.717 1.00 74.54 H new ATOM 0 HB2 ASN A 60 -1.776 -16.793 -4.390 1.00 60.41 H new ATOM 0 HB3 ASN A 60 -3.267 -15.898 -4.605 1.00 60.41 H new ATOM 0 HD21 ASN A 60 -1.717 -14.410 -7.405 1.00 15.32 H new ATOM 0 HD22 ASN A 60 -2.956 -15.516 -6.803 1.00 15.32 H new ATOM 947 N VAL A 61 -1.660 -12.773 -2.985 1.00 44.05 N ATOM 948 CA VAL A 61 -2.034 -11.361 -3.080 1.00 32.22 C ATOM 949 C VAL A 61 -2.666 -11.070 -4.453 1.00 61.44 C ATOM 950 O VAL A 61 -1.962 -10.966 -5.463 1.00 12.44 O ATOM 951 CB VAL A 61 -0.812 -10.431 -2.862 1.00 11.32 C ATOM 952 CG1 VAL A 61 -1.225 -8.959 -2.904 1.00 2.35 C ATOM 953 CG2 VAL A 61 -0.110 -10.760 -1.545 1.00 22.45 C ATOM 0 H VAL A 61 -0.654 -12.941 -2.952 1.00 44.05 H new ATOM 0 HA VAL A 61 -2.760 -11.159 -2.292 1.00 32.22 H new ATOM 0 HB VAL A 61 -0.109 -10.604 -3.677 1.00 11.32 H new ATOM 0 HG11 VAL A 61 -0.348 -8.331 -2.748 1.00 2.35 H new ATOM 0 HG12 VAL A 61 -1.666 -8.732 -3.875 1.00 2.35 H new ATOM 0 HG13 VAL A 61 -1.956 -8.764 -2.119 1.00 2.35 H new ATOM 0 HG21 VAL A 61 0.744 -10.096 -1.412 1.00 22.45 H new ATOM 0 HG22 VAL A 61 -0.807 -10.625 -0.718 1.00 22.45 H new ATOM 0 HG23 VAL A 61 0.234 -11.794 -1.565 1.00 22.45 H new ATOM 963 N SER A 62 -3.996 -10.971 -4.471 1.00 13.02 N ATOM 964 CA SER A 62 -4.772 -10.792 -5.710 1.00 35.54 C ATOM 965 C SER A 62 -4.209 -9.674 -6.604 1.00 41.32 C ATOM 966 O SER A 62 -4.248 -8.492 -6.247 1.00 21.25 O ATOM 967 CB SER A 62 -6.239 -10.490 -5.369 1.00 33.41 C ATOM 968 OG SER A 62 -7.041 -10.388 -6.536 1.00 55.12 O ATOM 0 H SER A 62 -4.571 -11.012 -3.629 1.00 13.02 H new ATOM 0 HA SER A 62 -4.700 -11.724 -6.270 1.00 35.54 H new ATOM 0 HB2 SER A 62 -6.632 -11.277 -4.725 1.00 33.41 H new ATOM 0 HB3 SER A 62 -6.297 -9.559 -4.805 1.00 33.41 H new ATOM 0 HG SER A 62 -7.968 -10.197 -6.280 1.00 55.12 H new ATOM 974 N ALA A 63 -3.688 -10.058 -7.773 1.00 2.10 N ATOM 975 CA ALA A 63 -3.113 -9.103 -8.731 1.00 71.13 C ATOM 976 C ALA A 63 -4.119 -8.016 -9.160 1.00 70.32 C ATOM 977 O ALA A 63 -3.727 -6.957 -9.660 1.00 14.32 O ATOM 978 CB ALA A 63 -2.594 -9.846 -9.953 1.00 32.24 C ATOM 0 H ALA A 63 -3.652 -11.029 -8.082 1.00 2.10 H new ATOM 0 HA ALA A 63 -2.290 -8.596 -8.228 1.00 71.13 H new ATOM 0 HB1 ALA A 63 -2.169 -9.133 -10.659 1.00 32.24 H new ATOM 0 HB2 ALA A 63 -1.825 -10.556 -9.648 1.00 32.24 H new ATOM 0 HB3 ALA A 63 -3.415 -10.382 -10.429 1.00 32.24 H new ATOM 984 N ALA A 64 -5.414 -8.282 -8.964 1.00 40.53 N ATOM 985 CA ALA A 64 -6.478 -7.314 -9.277 1.00 65.11 C ATOM 986 C ALA A 64 -6.268 -5.966 -8.562 1.00 41.42 C ATOM 987 O ALA A 64 -6.810 -4.943 -8.975 1.00 65.21 O ATOM 988 CB ALA A 64 -7.840 -7.898 -8.906 1.00 10.01 C ATOM 0 H ALA A 64 -5.756 -9.166 -8.587 1.00 40.53 H new ATOM 0 HA ALA A 64 -6.440 -7.122 -10.349 1.00 65.11 H new ATOM 0 HB1 ALA A 64 -8.622 -7.176 -9.141 1.00 10.01 H new ATOM 0 HB2 ALA A 64 -8.010 -8.813 -9.473 1.00 10.01 H new ATOM 0 HB3 ALA A 64 -7.861 -8.122 -7.840 1.00 10.01 H new ATOM 994 N LYS A 65 -5.480 -5.980 -7.491 1.00 71.41 N ATOM 995 CA LYS A 65 -5.189 -4.768 -6.715 1.00 62.34 C ATOM 996 C LYS A 65 -3.980 -3.990 -7.278 1.00 64.24 C ATOM 997 O LYS A 65 -3.889 -2.772 -7.117 1.00 22.10 O ATOM 998 CB LYS A 65 -4.945 -5.153 -5.245 1.00 71.20 C ATOM 999 CG LYS A 65 -4.454 -4.002 -4.371 1.00 34.22 C ATOM 1000 CD LYS A 65 -4.424 -4.376 -2.891 1.00 40.35 C ATOM 1001 CE LYS A 65 -5.828 -4.568 -2.330 1.00 4.03 C ATOM 1002 NZ LYS A 65 -5.809 -4.874 -0.875 1.00 53.41 N ATOM 0 H LYS A 65 -5.026 -6.821 -7.135 1.00 71.41 H new ATOM 0 HA LYS A 65 -6.051 -4.105 -6.787 1.00 62.34 H new ATOM 0 HB2 LYS A 65 -5.872 -5.544 -4.825 1.00 71.20 H new ATOM 0 HB3 LYS A 65 -4.213 -5.960 -5.209 1.00 71.20 H new ATOM 0 HG2 LYS A 65 -3.455 -3.706 -4.690 1.00 34.22 H new ATOM 0 HG3 LYS A 65 -5.103 -3.138 -4.513 1.00 34.22 H new ATOM 0 HD2 LYS A 65 -3.851 -5.294 -2.759 1.00 40.35 H new ATOM 0 HD3 LYS A 65 -3.911 -3.596 -2.329 1.00 40.35 H new ATOM 0 HE2 LYS A 65 -6.414 -3.666 -2.503 1.00 4.03 H new ATOM 0 HE3 LYS A 65 -6.324 -5.378 -2.864 1.00 4.03 H new ATOM 0 HZ1 LYS A 65 -6.076 -5.868 -0.726 1.00 53.41 H new ATOM 0 HZ2 LYS A 65 -4.853 -4.712 -0.499 1.00 53.41 H new ATOM 0 HZ3 LYS A 65 -6.485 -4.256 -0.382 1.00 53.41 H new ATOM 1016 N CYS A 66 -3.076 -4.694 -7.958 1.00 34.34 N ATOM 1017 CA CYS A 66 -1.798 -4.108 -8.412 1.00 1.54 C ATOM 1018 C CYS A 66 -1.986 -2.862 -9.297 1.00 65.41 C ATOM 1019 O CYS A 66 -1.333 -1.837 -9.086 1.00 50.15 O ATOM 1020 CB CYS A 66 -0.971 -5.152 -9.173 1.00 63.41 C ATOM 1021 SG CYS A 66 0.654 -4.560 -9.703 1.00 32.34 S ATOM 0 H CYS A 66 -3.198 -5.674 -8.211 1.00 34.34 H new ATOM 0 HA CYS A 66 -1.270 -3.792 -7.512 1.00 1.54 H new ATOM 0 HB2 CYS A 66 -0.838 -6.028 -8.538 1.00 63.41 H new ATOM 0 HB3 CYS A 66 -1.532 -5.476 -10.050 1.00 63.41 H new ATOM 0 HG CYS A 66 1.277 -5.510 -10.334 1.00 32.34 H new ATOM 1027 N GLN A 67 -2.880 -2.949 -10.281 1.00 14.21 N ATOM 1028 CA GLN A 67 -3.079 -1.853 -11.243 1.00 15.33 C ATOM 1029 C GLN A 67 -3.567 -0.558 -10.567 1.00 23.22 C ATOM 1030 O GLN A 67 -2.972 0.510 -10.753 1.00 72.30 O ATOM 1031 CB GLN A 67 -4.065 -2.287 -12.339 1.00 42.33 C ATOM 1032 CG GLN A 67 -3.579 -3.472 -13.175 1.00 44.22 C ATOM 1033 CD GLN A 67 -2.353 -3.158 -14.021 1.00 33.43 C ATOM 1034 OE1 GLN A 67 -1.535 -2.307 -13.681 1.00 34.22 O ATOM 1035 NE2 GLN A 67 -2.206 -3.849 -15.132 1.00 30.30 N ATOM 0 H GLN A 67 -3.478 -3.761 -10.437 1.00 14.21 H new ATOM 0 HA GLN A 67 -2.109 -1.634 -11.690 1.00 15.33 H new ATOM 0 HB2 GLN A 67 -5.017 -2.548 -11.876 1.00 42.33 H new ATOM 0 HB3 GLN A 67 -4.254 -1.441 -13.000 1.00 42.33 H new ATOM 0 HG2 GLN A 67 -3.348 -4.305 -12.510 1.00 44.22 H new ATOM 0 HG3 GLN A 67 -4.387 -3.801 -13.829 1.00 44.22 H new ATOM 0 HE21 GLN A 67 -2.900 -4.550 -15.392 1.00 30.30 H new ATOM 0 HE22 GLN A 67 -1.398 -3.683 -15.733 1.00 30.30 H new ATOM 1044 N GLU A 68 -4.648 -0.647 -9.798 1.00 11.04 N ATOM 1045 CA GLU A 68 -5.173 0.514 -9.067 1.00 14.21 C ATOM 1046 C GLU A 68 -4.169 1.030 -8.024 1.00 65.23 C ATOM 1047 O GLU A 68 -4.068 2.235 -7.792 1.00 20.12 O ATOM 1048 CB GLU A 68 -6.505 0.170 -8.386 1.00 21.04 C ATOM 1049 CG GLU A 68 -7.696 0.091 -9.341 1.00 50.43 C ATOM 1050 CD GLU A 68 -7.528 -0.950 -10.438 1.00 73.15 C ATOM 1051 OE1 GLU A 68 -7.221 -2.113 -10.115 1.00 42.10 O ATOM 1052 OE2 GLU A 68 -7.701 -0.609 -11.629 1.00 43.11 O ATOM 0 H GLU A 68 -5.180 -1.506 -9.662 1.00 11.04 H new ATOM 0 HA GLU A 68 -5.340 1.307 -9.796 1.00 14.21 H new ATOM 0 HB2 GLU A 68 -6.401 -0.786 -7.873 1.00 21.04 H new ATOM 0 HB3 GLU A 68 -6.714 0.920 -7.623 1.00 21.04 H new ATOM 0 HG2 GLU A 68 -8.595 -0.138 -8.769 1.00 50.43 H new ATOM 0 HG3 GLU A 68 -7.849 1.068 -9.799 1.00 50.43 H new ATOM 1059 N PHE A 69 -3.430 0.114 -7.402 1.00 30.32 N ATOM 1060 CA PHE A 69 -2.413 0.480 -6.411 1.00 55.12 C ATOM 1061 C PHE A 69 -1.293 1.317 -7.056 1.00 54.45 C ATOM 1062 O PHE A 69 -1.018 2.436 -6.626 1.00 24.15 O ATOM 1063 CB PHE A 69 -1.831 -0.784 -5.764 1.00 64.30 C ATOM 1064 CG PHE A 69 -0.865 -0.512 -4.635 1.00 71.30 C ATOM 1065 CD1 PHE A 69 -1.332 -0.213 -3.364 1.00 32.01 C ATOM 1066 CD2 PHE A 69 0.506 -0.561 -4.844 1.00 53.12 C ATOM 1067 CE1 PHE A 69 -0.453 0.032 -2.327 1.00 23.43 C ATOM 1068 CE2 PHE A 69 1.388 -0.318 -3.808 1.00 24.14 C ATOM 1069 CZ PHE A 69 0.907 -0.022 -2.548 1.00 1.21 C ATOM 0 H PHE A 69 -3.514 -0.889 -7.565 1.00 30.32 H new ATOM 0 HA PHE A 69 -2.886 1.087 -5.639 1.00 55.12 H new ATOM 0 HB2 PHE A 69 -2.650 -1.396 -5.387 1.00 64.30 H new ATOM 0 HB3 PHE A 69 -1.322 -1.369 -6.530 1.00 64.30 H new ATOM 0 HD1 PHE A 69 -2.396 -0.171 -3.183 1.00 32.01 H new ATOM 0 HD2 PHE A 69 0.888 -0.792 -5.827 1.00 53.12 H new ATOM 0 HE1 PHE A 69 -0.831 0.266 -1.343 1.00 23.43 H new ATOM 0 HE2 PHE A 69 2.453 -0.360 -3.984 1.00 24.14 H new ATOM 0 HZ PHE A 69 1.595 0.167 -1.737 1.00 1.21 H new ATOM 1079 N GLY A 70 -0.668 0.774 -8.101 1.00 61.13 N ATOM 1080 CA GLY A 70 0.412 1.483 -8.790 1.00 52.14 C ATOM 1081 C GLY A 70 -0.033 2.801 -9.429 1.00 71.00 C ATOM 1082 O GLY A 70 0.757 3.733 -9.565 1.00 22.20 O ATOM 0 H GLY A 70 -0.887 -0.145 -8.486 1.00 61.13 H new ATOM 0 HA2 GLY A 70 1.214 1.685 -8.080 1.00 52.14 H new ATOM 0 HA3 GLY A 70 0.826 0.835 -9.563 1.00 52.14 H new ATOM 1086 N ARG A 71 -1.302 2.872 -9.823 1.00 30.05 N ATOM 1087 CA ARG A 71 -1.870 4.085 -10.429 1.00 60.24 C ATOM 1088 C ARG A 71 -2.139 5.158 -9.355 1.00 30.51 C ATOM 1089 O ARG A 71 -1.705 6.307 -9.473 1.00 22.32 O ATOM 1090 CB ARG A 71 -3.169 3.709 -11.179 1.00 12.23 C ATOM 1091 CG ARG A 71 -3.709 4.768 -12.147 1.00 44.33 C ATOM 1092 CD ARG A 71 -4.418 5.924 -11.441 1.00 1.02 C ATOM 1093 NE ARG A 71 -5.444 5.466 -10.501 1.00 12.23 N ATOM 1094 CZ ARG A 71 -6.602 4.967 -10.849 1.00 75.12 C ATOM 1095 NH1 ARG A 71 -6.922 4.824 -12.094 1.00 50.15 N ATOM 1096 NH2 ARG A 71 -7.452 4.623 -9.940 1.00 22.45 N ATOM 0 H ARG A 71 -1.964 2.101 -9.735 1.00 30.05 H new ATOM 0 HA ARG A 71 -1.157 4.508 -11.137 1.00 60.24 H new ATOM 0 HB2 ARG A 71 -2.991 2.790 -11.738 1.00 12.23 H new ATOM 0 HB3 ARG A 71 -3.942 3.490 -10.442 1.00 12.23 H new ATOM 0 HG2 ARG A 71 -2.884 5.164 -12.739 1.00 44.33 H new ATOM 0 HG3 ARG A 71 -4.403 4.295 -12.842 1.00 44.33 H new ATOM 0 HD2 ARG A 71 -3.682 6.524 -10.906 1.00 1.02 H new ATOM 0 HD3 ARG A 71 -4.877 6.573 -12.186 1.00 1.02 H new ATOM 0 HE ARG A 71 -5.241 5.542 -9.504 1.00 12.23 H new ATOM 0 HH11 ARG A 71 -6.267 5.102 -12.824 1.00 50.15 H new ATOM 0 HH12 ARG A 71 -7.830 4.433 -12.346 1.00 50.15 H new ATOM 0 HH21 ARG A 71 -7.220 4.741 -8.954 1.00 22.45 H new ATOM 0 HH22 ARG A 71 -8.356 4.234 -10.208 1.00 22.45 H new ATOM 1110 N TRP A 72 -2.854 4.760 -8.307 1.00 32.52 N ATOM 1111 CA TRP A 72 -3.247 5.665 -7.218 1.00 13.51 C ATOM 1112 C TRP A 72 -2.064 6.021 -6.300 1.00 41.23 C ATOM 1113 O TRP A 72 -1.696 7.193 -6.169 1.00 0.15 O ATOM 1114 CB TRP A 72 -4.378 5.014 -6.403 1.00 74.11 C ATOM 1115 CG TRP A 72 -4.705 5.715 -5.114 1.00 42.54 C ATOM 1116 CD1 TRP A 72 -5.346 6.911 -4.963 1.00 61.34 C ATOM 1117 CD2 TRP A 72 -4.416 5.248 -3.791 1.00 43.11 C ATOM 1118 NE1 TRP A 72 -5.467 7.217 -3.631 1.00 61.42 N ATOM 1119 CE2 TRP A 72 -4.905 6.212 -2.890 1.00 13.52 C ATOM 1120 CE3 TRP A 72 -3.789 4.109 -3.282 1.00 33.10 C ATOM 1121 CZ2 TRP A 72 -4.789 6.070 -1.510 1.00 53.14 C ATOM 1122 CZ3 TRP A 72 -3.673 3.969 -1.913 1.00 73.33 C ATOM 1123 CH2 TRP A 72 -4.173 4.944 -1.040 1.00 60.21 C ATOM 0 H TRP A 72 -3.180 3.802 -8.183 1.00 32.52 H new ATOM 0 HA TRP A 72 -3.594 6.598 -7.663 1.00 13.51 H new ATOM 0 HB2 TRP A 72 -5.277 4.977 -7.019 1.00 74.11 H new ATOM 0 HB3 TRP A 72 -4.101 3.984 -6.181 1.00 74.11 H new ATOM 0 HD1 TRP A 72 -5.706 7.527 -5.774 1.00 61.34 H new ATOM 0 HE1 TRP A 72 -5.905 8.057 -3.254 1.00 61.42 H new ATOM 0 HE3 TRP A 72 -3.402 3.351 -3.947 1.00 33.10 H new ATOM 0 HZ2 TRP A 72 -5.172 6.822 -0.836 1.00 53.14 H new ATOM 0 HZ3 TRP A 72 -3.188 3.093 -1.508 1.00 73.33 H new ATOM 0 HH2 TRP A 72 -4.070 4.803 0.026 1.00 60.21 H new ATOM 1134 N TYR A 73 -1.462 5.003 -5.681 1.00 1.14 N ATOM 1135 CA TYR A 73 -0.401 5.200 -4.682 1.00 22.11 C ATOM 1136 C TYR A 73 0.779 6.013 -5.254 1.00 22.13 C ATOM 1137 O TYR A 73 1.488 6.700 -4.517 1.00 43.11 O ATOM 1138 CB TYR A 73 0.079 3.835 -4.157 1.00 0.22 C ATOM 1139 CG TYR A 73 0.693 3.878 -2.767 1.00 24.13 C ATOM 1140 CD1 TYR A 73 0.017 4.487 -1.711 1.00 63.22 C ATOM 1141 CD2 TYR A 73 1.929 3.294 -2.500 1.00 24.12 C ATOM 1142 CE1 TYR A 73 0.553 4.512 -0.437 1.00 40.24 C ATOM 1143 CE2 TYR A 73 2.473 3.317 -1.227 1.00 4.43 C ATOM 1144 CZ TYR A 73 1.781 3.929 -0.199 1.00 0.44 C ATOM 1145 OH TYR A 73 2.311 3.952 1.071 1.00 1.34 O ATOM 0 H TYR A 73 -1.692 4.024 -5.854 1.00 1.14 H new ATOM 0 HA TYR A 73 -0.815 5.776 -3.855 1.00 22.11 H new ATOM 0 HB2 TYR A 73 -0.765 3.146 -4.147 1.00 0.22 H new ATOM 0 HB3 TYR A 73 0.813 3.429 -4.853 1.00 0.22 H new ATOM 0 HD1 TYR A 73 -0.943 4.948 -1.891 1.00 63.22 H new ATOM 0 HD2 TYR A 73 2.473 2.815 -3.300 1.00 24.12 H new ATOM 0 HE1 TYR A 73 0.013 4.986 0.369 1.00 40.24 H new ATOM 0 HE2 TYR A 73 3.433 2.859 -1.038 1.00 4.43 H new ATOM 0 HH TYR A 73 2.298 3.047 1.447 1.00 1.34 H new ATOM 1155 N LYS A 74 0.962 5.940 -6.574 1.00 2.43 N ATOM 1156 CA LYS A 74 1.996 6.715 -7.277 1.00 44.11 C ATOM 1157 C LYS A 74 1.841 8.232 -7.046 1.00 50.04 C ATOM 1158 O LYS A 74 2.821 8.936 -6.778 1.00 52.04 O ATOM 1159 CB LYS A 74 1.940 6.399 -8.783 1.00 23.04 C ATOM 1160 CG LYS A 74 2.798 7.316 -9.657 1.00 31.15 C ATOM 1161 CD LYS A 74 2.892 6.819 -11.103 1.00 51.21 C ATOM 1162 CE LYS A 74 1.522 6.682 -11.764 1.00 22.44 C ATOM 1163 NZ LYS A 74 1.637 6.299 -13.198 1.00 4.11 N ATOM 0 H LYS A 74 0.403 5.346 -7.186 1.00 2.43 H new ATOM 0 HA LYS A 74 2.966 6.425 -6.872 1.00 44.11 H new ATOM 0 HB2 LYS A 74 2.260 5.368 -8.937 1.00 23.04 H new ATOM 0 HB3 LYS A 74 0.904 6.465 -9.117 1.00 23.04 H new ATOM 0 HG2 LYS A 74 2.377 8.322 -9.647 1.00 31.15 H new ATOM 0 HG3 LYS A 74 3.800 7.385 -9.233 1.00 31.15 H new ATOM 0 HD2 LYS A 74 3.504 7.510 -11.682 1.00 51.21 H new ATOM 0 HD3 LYS A 74 3.398 5.854 -11.120 1.00 51.21 H new ATOM 0 HE2 LYS A 74 0.935 5.932 -11.233 1.00 22.44 H new ATOM 0 HE3 LYS A 74 0.982 7.626 -11.682 1.00 22.44 H new ATOM 0 HZ1 LYS A 74 0.687 6.216 -13.612 1.00 4.11 H new ATOM 0 HZ2 LYS A 74 2.175 7.027 -13.710 1.00 4.11 H new ATOM 0 HZ3 LYS A 74 2.130 5.386 -13.275 1.00 4.11 H new ATOM 1177 N HIS A 75 0.607 8.726 -7.141 1.00 22.21 N ATOM 1178 CA HIS A 75 0.331 10.162 -6.984 1.00 43.54 C ATOM 1179 C HIS A 75 -0.060 10.513 -5.540 1.00 5.34 C ATOM 1180 O HIS A 75 0.244 11.604 -5.056 1.00 72.51 O ATOM 1181 CB HIS A 75 -0.781 10.601 -7.943 1.00 12.23 C ATOM 1182 CG HIS A 75 -0.402 10.498 -9.389 1.00 13.22 C ATOM 1183 ND1 HIS A 75 0.099 11.557 -10.113 1.00 52.41 N ATOM 1184 CD2 HIS A 75 -0.460 9.455 -10.250 1.00 14.34 C ATOM 1185 CE1 HIS A 75 0.329 11.175 -11.352 1.00 30.41 C ATOM 1186 NE2 HIS A 75 0.001 9.905 -11.464 1.00 1.34 N ATOM 0 H HIS A 75 -0.220 8.158 -7.326 1.00 22.21 H new ATOM 0 HA HIS A 75 1.250 10.697 -7.224 1.00 43.54 H new ATOM 0 HB2 HIS A 75 -1.666 9.990 -7.764 1.00 12.23 H new ATOM 0 HB3 HIS A 75 -1.055 11.632 -7.720 1.00 12.23 H new ATOM 0 HD1 HIS A 75 0.266 12.494 -9.746 1.00 52.41 H new ATOM 0 HD2 HIS A 75 -0.804 8.456 -10.025 1.00 14.34 H new ATOM 0 HE1 HIS A 75 0.720 11.798 -12.142 1.00 30.41 H new ATOM 1195 N PHE A 76 -0.725 9.580 -4.859 1.00 30.20 N ATOM 1196 CA PHE A 76 -1.177 9.797 -3.477 1.00 22.02 C ATOM 1197 C PHE A 76 -0.008 10.167 -2.544 1.00 33.42 C ATOM 1198 O PHE A 76 -0.110 11.103 -1.749 1.00 51.24 O ATOM 1199 CB PHE A 76 -1.898 8.547 -2.954 1.00 34.21 C ATOM 1200 CG PHE A 76 -2.466 8.715 -1.566 1.00 24.51 C ATOM 1201 CD1 PHE A 76 -3.627 9.449 -1.362 1.00 63.00 C ATOM 1202 CD2 PHE A 76 -1.839 8.143 -0.468 1.00 45.22 C ATOM 1203 CE1 PHE A 76 -4.151 9.606 -0.094 1.00 45.14 C ATOM 1204 CE2 PHE A 76 -2.360 8.298 0.802 1.00 35.53 C ATOM 1205 CZ PHE A 76 -3.516 9.030 0.989 1.00 60.53 C ATOM 0 H PHE A 76 -0.965 8.664 -5.239 1.00 30.20 H new ATOM 0 HA PHE A 76 -1.871 10.637 -3.484 1.00 22.02 H new ATOM 0 HB2 PHE A 76 -2.705 8.290 -3.640 1.00 34.21 H new ATOM 0 HB3 PHE A 76 -1.201 7.709 -2.954 1.00 34.21 H new ATOM 0 HD1 PHE A 76 -4.126 9.903 -2.205 1.00 63.00 H new ATOM 0 HD2 PHE A 76 -0.934 7.571 -0.608 1.00 45.22 H new ATOM 0 HE1 PHE A 76 -5.056 10.178 0.051 1.00 45.14 H new ATOM 0 HE2 PHE A 76 -1.863 7.847 1.648 1.00 35.53 H new ATOM 0 HZ PHE A 76 -3.923 9.152 1.982 1.00 60.53 H new ATOM 1215 N LYS A 77 1.100 9.431 -2.641 1.00 14.21 N ATOM 1216 CA LYS A 77 2.293 9.721 -1.827 1.00 33.23 C ATOM 1217 C LYS A 77 3.268 10.640 -2.579 1.00 73.14 C ATOM 1218 O LYS A 77 4.334 10.982 -2.067 1.00 63.34 O ATOM 1219 CB LYS A 77 2.994 8.415 -1.425 1.00 21.43 C ATOM 1220 CG LYS A 77 3.687 7.691 -2.578 1.00 73.20 C ATOM 1221 CD LYS A 77 4.051 6.256 -2.202 1.00 23.43 C ATOM 1222 CE LYS A 77 4.868 5.559 -3.285 1.00 70.03 C ATOM 1223 NZ LYS A 77 6.278 6.019 -3.299 1.00 32.13 N ATOM 0 H LYS A 77 1.201 8.634 -3.269 1.00 14.21 H new ATOM 0 HA LYS A 77 1.968 10.240 -0.925 1.00 33.23 H new ATOM 0 HB2 LYS A 77 3.732 8.635 -0.654 1.00 21.43 H new ATOM 0 HB3 LYS A 77 2.259 7.744 -0.980 1.00 21.43 H new ATOM 0 HG2 LYS A 77 3.033 7.685 -3.450 1.00 73.20 H new ATOM 0 HG3 LYS A 77 4.589 8.234 -2.860 1.00 73.20 H new ATOM 0 HD2 LYS A 77 4.617 6.260 -1.270 1.00 23.43 H new ATOM 0 HD3 LYS A 77 3.138 5.689 -2.018 1.00 23.43 H new ATOM 0 HE2 LYS A 77 4.840 4.481 -3.124 1.00 70.03 H new ATOM 0 HE3 LYS A 77 4.415 5.747 -4.258 1.00 70.03 H new ATOM 0 HZ1 LYS A 77 6.856 5.349 -3.845 1.00 32.13 H new ATOM 0 HZ2 LYS A 77 6.332 6.960 -3.738 1.00 32.13 H new ATOM 0 HZ3 LYS A 77 6.636 6.070 -2.324 1.00 32.13 H new ATOM 1237 N LYS A 78 2.882 11.027 -3.797 1.00 45.35 N ATOM 1238 CA LYS A 78 3.673 11.927 -4.648 1.00 22.24 C ATOM 1239 C LYS A 78 5.121 11.423 -4.825 1.00 43.44 C ATOM 1240 O LYS A 78 6.026 11.802 -4.078 1.00 3.13 O ATOM 1241 CB LYS A 78 3.650 13.360 -4.073 1.00 5.35 C ATOM 1242 CG LYS A 78 3.725 14.479 -5.120 1.00 20.01 C ATOM 1243 CD LYS A 78 5.032 14.461 -5.914 1.00 50.20 C ATOM 1244 CE LYS A 78 5.097 15.597 -6.933 1.00 33.04 C ATOM 1245 NZ LYS A 78 5.079 16.941 -6.291 1.00 74.03 N ATOM 0 H LYS A 78 2.007 10.724 -4.226 1.00 45.35 H new ATOM 0 HA LYS A 78 3.217 11.940 -5.638 1.00 22.24 H new ATOM 0 HB2 LYS A 78 2.737 13.488 -3.491 1.00 5.35 H new ATOM 0 HB3 LYS A 78 4.486 13.472 -3.383 1.00 5.35 H new ATOM 0 HG2 LYS A 78 2.886 14.383 -5.809 1.00 20.01 H new ATOM 0 HG3 LYS A 78 3.621 15.443 -4.623 1.00 20.01 H new ATOM 0 HD2 LYS A 78 5.875 14.541 -5.227 1.00 50.20 H new ATOM 0 HD3 LYS A 78 5.130 13.505 -6.429 1.00 50.20 H new ATOM 0 HE2 LYS A 78 6.004 15.495 -7.529 1.00 33.04 H new ATOM 0 HE3 LYS A 78 4.254 15.514 -7.619 1.00 33.04 H new ATOM 0 HZ1 LYS A 78 5.294 17.668 -7.002 1.00 74.03 H new ATOM 0 HZ2 LYS A 78 4.138 17.120 -5.887 1.00 74.03 H new ATOM 0 HZ3 LYS A 78 5.793 16.974 -5.535 1.00 74.03 H new ATOM 1259 N THR A 79 5.327 10.543 -5.800 1.00 71.22 N ATOM 1260 CA THR A 79 6.675 10.044 -6.126 1.00 45.31 C ATOM 1261 C THR A 79 6.888 10.028 -7.648 1.00 32.32 C ATOM 1262 O THR A 79 7.731 9.303 -8.175 1.00 54.33 O ATOM 1263 CB THR A 79 6.907 8.623 -5.540 1.00 31.53 C ATOM 1264 OG1 THR A 79 6.442 8.574 -4.181 1.00 43.43 O ATOM 1265 CG2 THR A 79 8.388 8.240 -5.566 1.00 53.44 C ATOM 0 H THR A 79 4.584 10.156 -6.382 1.00 71.22 H new ATOM 0 HA THR A 79 7.399 10.721 -5.673 1.00 45.31 H new ATOM 0 HB THR A 79 6.352 7.917 -6.158 1.00 31.53 H new ATOM 0 HG1 THR A 79 7.204 8.662 -3.571 1.00 43.43 H new ATOM 0 HG21 THR A 79 8.513 7.241 -5.149 1.00 53.44 H new ATOM 0 HG22 THR A 79 8.749 8.252 -6.594 1.00 53.44 H new ATOM 0 HG23 THR A 79 8.959 8.954 -4.973 1.00 53.44 H new ATOM 1273 N LYS A 80 6.115 10.857 -8.345 1.00 44.24 N ATOM 1274 CA LYS A 80 6.186 10.957 -9.807 1.00 21.31 C ATOM 1275 C LYS A 80 5.415 12.192 -10.300 1.00 3.33 C ATOM 1276 O LYS A 80 4.182 12.186 -10.354 1.00 51.52 O ATOM 1277 CB LYS A 80 5.622 9.680 -10.449 1.00 52.22 C ATOM 1278 CG LYS A 80 5.678 9.657 -11.976 1.00 54.45 C ATOM 1279 CD LYS A 80 7.099 9.862 -12.504 1.00 43.42 C ATOM 1280 CE LYS A 80 7.171 9.686 -14.017 1.00 14.22 C ATOM 1281 NZ LYS A 80 8.477 10.140 -14.570 1.00 23.14 N ATOM 0 H LYS A 80 5.425 11.476 -7.919 1.00 44.24 H new ATOM 0 HA LYS A 80 7.230 11.066 -10.101 1.00 21.31 H new ATOM 0 HB2 LYS A 80 6.174 8.822 -10.065 1.00 52.22 H new ATOM 0 HB3 LYS A 80 4.585 9.558 -10.135 1.00 52.22 H new ATOM 0 HG2 LYS A 80 5.291 8.704 -12.338 1.00 54.45 H new ATOM 0 HG3 LYS A 80 5.028 10.437 -12.374 1.00 54.45 H new ATOM 0 HD2 LYS A 80 7.446 10.860 -12.237 1.00 43.42 H new ATOM 0 HD3 LYS A 80 7.772 9.152 -12.023 1.00 43.42 H new ATOM 0 HE2 LYS A 80 7.016 8.637 -14.268 1.00 14.22 H new ATOM 0 HE3 LYS A 80 6.364 10.248 -14.486 1.00 14.22 H new ATOM 0 HZ1 LYS A 80 8.484 10.003 -15.601 1.00 23.14 H new ATOM 0 HZ2 LYS A 80 8.614 11.148 -14.354 1.00 23.14 H new ATOM 0 HZ3 LYS A 80 9.246 9.586 -14.142 1.00 23.14 H new ATOM 1295 N ASP A 81 6.140 13.257 -10.639 1.00 60.32 N ATOM 1296 CA ASP A 81 5.509 14.513 -11.066 1.00 14.44 C ATOM 1297 C ASP A 81 5.432 14.601 -12.602 1.00 33.00 C ATOM 1298 O ASP A 81 4.360 14.426 -13.191 1.00 1.51 O ATOM 1299 CB ASP A 81 6.278 15.707 -10.486 1.00 1.55 C ATOM 1300 CG ASP A 81 5.502 17.009 -10.595 1.00 43.41 C ATOM 1301 OD1 ASP A 81 4.520 17.180 -9.842 1.00 40.10 O ATOM 1302 OD2 ASP A 81 5.876 17.869 -11.415 1.00 15.21 O ATOM 0 H ASP A 81 7.160 13.280 -10.628 1.00 60.32 H new ATOM 0 HA ASP A 81 4.488 14.536 -10.685 1.00 14.44 H new ATOM 0 HB2 ASP A 81 6.509 15.512 -9.439 1.00 1.55 H new ATOM 0 HB3 ASP A 81 7.229 15.810 -11.008 1.00 1.55 H new ATOM 1307 N MET A 82 6.570 14.871 -13.245 1.00 73.23 N ATOM 1308 CA MET A 82 6.647 14.868 -14.713 1.00 24.41 C ATOM 1309 C MET A 82 6.695 13.424 -15.243 1.00 41.11 C ATOM 1310 O MET A 82 7.364 12.569 -14.664 1.00 72.33 O ATOM 1311 CB MET A 82 7.886 15.649 -15.177 1.00 53.50 C ATOM 1312 CG MET A 82 8.010 15.770 -16.692 1.00 2.25 C ATOM 1313 SD MET A 82 9.461 16.716 -17.201 1.00 31.25 S ATOM 1314 CE MET A 82 9.084 18.329 -16.513 1.00 70.10 C ATOM 0 H MET A 82 7.449 15.094 -12.778 1.00 73.23 H new ATOM 0 HA MET A 82 5.756 15.353 -15.112 1.00 24.41 H new ATOM 0 HB2 MET A 82 7.856 16.649 -14.744 1.00 53.50 H new ATOM 0 HB3 MET A 82 8.779 15.160 -14.787 1.00 53.50 H new ATOM 0 HG2 MET A 82 8.060 14.773 -17.129 1.00 2.25 H new ATOM 0 HG3 MET A 82 7.114 16.247 -17.089 1.00 2.25 H new ATOM 0 HE1 MET A 82 9.702 19.085 -16.998 1.00 70.10 H new ATOM 0 HE2 MET A 82 8.032 18.559 -16.680 1.00 70.10 H new ATOM 0 HE3 MET A 82 9.289 18.325 -15.443 1.00 70.10 H new ATOM 1324 N MET A 83 5.991 13.159 -16.348 1.00 55.54 N ATOM 1325 CA MET A 83 5.851 11.785 -16.876 1.00 71.30 C ATOM 1326 C MET A 83 7.100 11.282 -17.655 1.00 24.51 C ATOM 1327 O MET A 83 8.203 11.235 -17.064 1.00 38.38 O ATOM 1328 CB MET A 83 4.578 11.694 -17.747 1.00 13.14 C ATOM 1329 CG MET A 83 4.350 12.892 -18.669 1.00 42.34 C ATOM 1330 SD MET A 83 5.714 13.189 -19.815 1.00 50.12 S ATOM 1331 CE MET A 83 5.095 14.599 -20.731 1.00 0.42 C ATOM 1332 OXT MET A 83 6.962 10.864 -18.827 1.00 38.38 O ATOM 0 H MET A 83 5.508 13.870 -16.897 1.00 55.54 H new ATOM 0 HA MET A 83 5.761 11.120 -16.017 1.00 71.30 H new ATOM 0 HB2 MET A 83 4.633 10.790 -18.354 1.00 13.14 H new ATOM 0 HB3 MET A 83 3.713 11.586 -17.093 1.00 13.14 H new ATOM 0 HG2 MET A 83 3.435 12.732 -19.239 1.00 42.34 H new ATOM 0 HG3 MET A 83 4.196 13.784 -18.062 1.00 42.34 H new ATOM 0 HE1 MET A 83 5.830 14.899 -21.478 1.00 0.42 H new ATOM 0 HE2 MET A 83 4.162 14.330 -21.227 1.00 0.42 H new ATOM 0 HE3 MET A 83 4.916 15.428 -20.046 1.00 0.42 H new TER 1342 MET A 83