USER MOD reduce.3.24.130724 H: found=0, std=0, add=1138, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1135 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 132 HIS : no HD1:sc= -0.14 X(o=-0.29,f=0) USER MOD Set 1.2: A 133 HIS : no HD1:sc= -0.146 K(o=-0.29,f=-1.4) USER MOD Set 2.1: A 107 TYR OH : rot 180:sc= 0.304 USER MOD Set 2.2: A 125 LYS NZ :NH3+ 136:sc= 0.1 (180deg=0.186) USER MOD Set 3.1: A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 50 GLN : amide:sc= -0.158 X(o=-0.16,f=0.088) USER MOD Set 4.1: A 23 GLN : amide:sc= -0.365 K(o=-0.17,f=-1.5) USER MOD Set 4.2: A 31 THR OG1 : rot 43:sc= 0.19 USER MOD Single : A 1 MET CE :methyl 169:sc=-0.00282 (180deg=-0.166) USER MOD Single : A 1 MET N :NH3+ -131:sc= 0.143 (180deg=-0.16) USER MOD Single : A 9 THR OG1 : rot 80:sc= -0.547 USER MOD Single : A 20 LYS NZ :NH3+ 168:sc= 0.672 (180deg=0.547) USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= 0.831 (180deg=0.59) USER MOD Single : A 25 HIS : no HD1:sc= 0.709 K(o=0.71,f=-2.2!) USER MOD Single : A 28 ASN : amide:sc= 0.425 X(o=0.42,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -129:sc= 1.23 (180deg=0.122) USER MOD Single : A 34 THR OG1 : rot -145:sc= 0.68 USER MOD Single : A 35 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0499) USER MOD Single : A 37 LYS NZ :NH3+ 137:sc= 0.394 (180deg=-1.34) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -162:sc= 0.363 (180deg=0.249) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot -107:sc= 0.00461 USER MOD Single : A 74 GLN : amide:sc= 0.315 X(o=0.32,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -157:sc= -1.75 (180deg=-2.34!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -120:sc= 1.16 (180deg=0.0543) USER MOD Single : A 100 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0169) USER MOD Single : A 101 LYS NZ :NH3+ -155:sc= 0.724 (180deg=0.371) USER MOD Single : A 102 LYS NZ :NH3+ 141:sc= 0.0261 (180deg=-1.37) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -19:sc= 0.105 USER MOD Single : A 111 ASN : amide:sc= -2.14 X(o=-2.1,f=-1.7) USER MOD Single : A 116 LYS NZ :NH3+ -125:sc= 0.473 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 172:sc=-0.00494 (180deg=-0.0984) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 11:sc= 0.402 USER MOD Single : A 128 SER OG : rot -94:sc= 0.222 USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 136 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.706 1.176 14.976 1.00 42.03 N ATOM 2 CA MET A 1 5.756 -0.280 14.706 1.00 31.22 C ATOM 3 C MET A 1 5.596 -0.533 13.203 1.00 51.22 C ATOM 4 O MET A 1 5.570 0.421 12.412 1.00 3.23 O ATOM 5 CB MET A 1 4.660 -1.017 15.529 1.00 70.20 C ATOM 6 CG MET A 1 4.854 -0.901 17.039 1.00 41.12 C ATOM 7 SD MET A 1 3.598 -1.786 17.991 1.00 70.43 S ATOM 8 CE MET A 1 3.971 -3.502 17.626 1.00 41.21 C ATOM 0 H1 MET A 1 6.507 1.444 15.582 1.00 42.03 H new ATOM 0 H2 MET A 1 5.761 1.698 14.078 1.00 42.03 H new ATOM 0 H3 MET A 1 4.814 1.409 15.458 1.00 42.03 H new ATOM 0 HA MET A 1 6.724 -0.675 15.016 1.00 31.22 H new ATOM 0 HB2 MET A 1 3.683 -0.612 15.264 1.00 70.20 H new ATOM 0 HB3 MET A 1 4.655 -2.071 15.251 1.00 70.20 H new ATOM 0 HG2 MET A 1 5.839 -1.287 17.303 1.00 41.12 H new ATOM 0 HG3 MET A 1 4.839 0.152 17.321 1.00 41.12 H new ATOM 0 HE1 MET A 1 3.403 -4.148 18.296 1.00 41.21 H new ATOM 0 HE2 MET A 1 3.700 -3.722 16.593 1.00 41.21 H new ATOM 0 HE3 MET A 1 5.037 -3.681 17.767 1.00 41.21 H new ATOM 20 N GLY A 2 5.533 -1.826 12.811 1.00 3.01 N ATOM 21 CA GLY A 2 5.281 -2.218 11.421 1.00 61.05 C ATOM 22 C GLY A 2 3.925 -1.721 10.918 1.00 12.32 C ATOM 23 O GLY A 2 2.901 -1.993 11.539 1.00 3.32 O ATOM 0 H GLY A 2 5.655 -2.613 13.448 1.00 3.01 H new ATOM 0 HA2 GLY A 2 6.071 -1.820 10.784 1.00 61.05 H new ATOM 0 HA3 GLY A 2 5.322 -3.304 11.338 1.00 61.05 H new ATOM 27 N VAL A 3 3.930 -0.937 9.835 1.00 23.22 N ATOM 28 CA VAL A 3 2.708 -0.414 9.193 1.00 44.04 C ATOM 29 C VAL A 3 2.709 -0.872 7.729 1.00 3.43 C ATOM 30 O VAL A 3 3.614 -0.524 6.972 1.00 1.34 O ATOM 31 CB VAL A 3 2.655 1.164 9.298 1.00 10.23 C ATOM 32 CG1 VAL A 3 1.493 1.763 8.476 1.00 53.02 C ATOM 33 CG2 VAL A 3 2.572 1.612 10.781 1.00 32.42 C ATOM 0 H VAL A 3 4.789 -0.642 9.371 1.00 23.22 H new ATOM 0 HA VAL A 3 1.822 -0.798 9.698 1.00 44.04 H new ATOM 0 HB VAL A 3 3.581 1.548 8.870 1.00 10.23 H new ATOM 0 HG11 VAL A 3 1.496 2.848 8.578 1.00 53.02 H new ATOM 0 HG12 VAL A 3 1.615 1.497 7.426 1.00 53.02 H new ATOM 0 HG13 VAL A 3 0.546 1.367 8.843 1.00 53.02 H new ATOM 0 HG21 VAL A 3 2.537 2.700 10.831 1.00 32.42 H new ATOM 0 HG22 VAL A 3 1.672 1.198 11.236 1.00 32.42 H new ATOM 0 HG23 VAL A 3 3.449 1.253 11.319 1.00 32.42 H new ATOM 43 N VAL A 4 1.696 -1.651 7.333 1.00 64.32 N ATOM 44 CA VAL A 4 1.634 -2.245 5.992 1.00 4.20 C ATOM 45 C VAL A 4 0.786 -1.351 5.074 1.00 4.11 C ATOM 46 O VAL A 4 -0.420 -1.196 5.263 1.00 62.33 O ATOM 47 CB VAL A 4 1.062 -3.715 6.053 1.00 21.45 C ATOM 48 CG1 VAL A 4 1.033 -4.379 4.657 1.00 30.43 C ATOM 49 CG2 VAL A 4 1.878 -4.566 7.056 1.00 4.24 C ATOM 0 H VAL A 4 0.901 -1.886 7.928 1.00 64.32 H new ATOM 0 HA VAL A 4 2.642 -2.309 5.582 1.00 4.20 H new ATOM 0 HB VAL A 4 0.031 -3.658 6.401 1.00 21.45 H new ATOM 0 HG11 VAL A 4 0.633 -5.389 4.743 1.00 30.43 H new ATOM 0 HG12 VAL A 4 0.401 -3.794 3.989 1.00 30.43 H new ATOM 0 HG13 VAL A 4 2.045 -4.423 4.254 1.00 30.43 H new ATOM 0 HG21 VAL A 4 1.473 -5.578 7.089 1.00 4.24 H new ATOM 0 HG22 VAL A 4 2.920 -4.602 6.739 1.00 4.24 H new ATOM 0 HG23 VAL A 4 1.816 -4.118 8.048 1.00 4.24 H new ATOM 59 N ILE A 5 1.470 -0.747 4.100 1.00 64.42 N ATOM 60 CA ILE A 5 0.883 0.120 3.076 1.00 42.12 C ATOM 61 C ILE A 5 0.669 -0.736 1.810 1.00 72.11 C ATOM 62 O ILE A 5 1.554 -1.491 1.440 1.00 71.44 O ATOM 63 CB ILE A 5 1.848 1.342 2.783 1.00 20.24 C ATOM 64 CG1 ILE A 5 2.242 2.059 4.123 1.00 54.42 C ATOM 65 CG2 ILE A 5 1.217 2.342 1.780 1.00 62.13 C ATOM 66 CD1 ILE A 5 3.313 3.130 3.997 1.00 14.24 C ATOM 0 H ILE A 5 2.480 -0.851 3.999 1.00 64.42 H new ATOM 0 HA ILE A 5 -0.070 0.531 3.411 1.00 42.12 H new ATOM 0 HB ILE A 5 2.754 0.951 2.319 1.00 20.24 H new ATOM 0 HG12 ILE A 5 1.347 2.512 4.550 1.00 54.42 H new ATOM 0 HG13 ILE A 5 2.587 1.305 4.831 1.00 54.42 H new ATOM 0 HG21 ILE A 5 1.908 3.166 1.604 1.00 62.13 H new ATOM 0 HG22 ILE A 5 1.013 1.833 0.838 1.00 62.13 H new ATOM 0 HG23 ILE A 5 0.286 2.731 2.191 1.00 62.13 H new ATOM 0 HD11 ILE A 5 3.512 3.563 4.977 1.00 14.24 H new ATOM 0 HD12 ILE A 5 4.228 2.686 3.604 1.00 14.24 H new ATOM 0 HD13 ILE A 5 2.969 3.911 3.319 1.00 14.24 H new ATOM 78 N LEU A 6 -0.518 -0.659 1.189 1.00 51.20 N ATOM 79 CA LEU A 6 -0.880 -1.468 0.012 1.00 34.23 C ATOM 80 C LEU A 6 -1.363 -0.528 -1.087 1.00 31.33 C ATOM 81 O LEU A 6 -2.506 -0.078 -1.061 1.00 55.21 O ATOM 82 CB LEU A 6 -2.008 -2.467 0.412 1.00 61.10 C ATOM 83 CG LEU A 6 -1.662 -3.444 1.565 1.00 43.51 C ATOM 84 CD1 LEU A 6 -2.896 -4.228 2.026 1.00 73.43 C ATOM 85 CD2 LEU A 6 -0.536 -4.385 1.151 1.00 52.24 C ATOM 0 H LEU A 6 -1.261 -0.029 1.491 1.00 51.20 H new ATOM 0 HA LEU A 6 -0.022 -2.035 -0.349 1.00 34.23 H new ATOM 0 HB2 LEU A 6 -2.891 -1.895 0.698 1.00 61.10 H new ATOM 0 HB3 LEU A 6 -2.278 -3.052 -0.467 1.00 61.10 H new ATOM 0 HG LEU A 6 -1.318 -2.852 2.413 1.00 43.51 H new ATOM 0 HD11 LEU A 6 -2.617 -4.903 2.835 1.00 73.43 H new ATOM 0 HD12 LEU A 6 -3.657 -3.533 2.380 1.00 73.43 H new ATOM 0 HD13 LEU A 6 -3.292 -4.806 1.191 1.00 73.43 H new ATOM 0 HD21 LEU A 6 -0.307 -5.063 1.973 1.00 52.24 H new ATOM 0 HD22 LEU A 6 -0.846 -4.963 0.280 1.00 52.24 H new ATOM 0 HD23 LEU A 6 0.352 -3.803 0.903 1.00 52.24 H new ATOM 97 N VAL A 7 -0.490 -0.237 -2.050 1.00 63.21 N ATOM 98 CA VAL A 7 -0.780 0.699 -3.130 1.00 75.41 C ATOM 99 C VAL A 7 -1.196 -0.093 -4.384 1.00 13.22 C ATOM 100 O VAL A 7 -0.352 -0.684 -5.058 1.00 43.42 O ATOM 101 CB VAL A 7 0.460 1.635 -3.443 1.00 53.44 C ATOM 102 CG1 VAL A 7 0.077 2.740 -4.450 1.00 50.02 C ATOM 103 CG2 VAL A 7 1.043 2.253 -2.147 1.00 71.14 C ATOM 0 H VAL A 7 0.443 -0.647 -2.101 1.00 63.21 H new ATOM 0 HA VAL A 7 -1.598 1.349 -2.818 1.00 75.41 H new ATOM 0 HB VAL A 7 1.234 1.015 -3.894 1.00 53.44 H new ATOM 0 HG11 VAL A 7 0.945 3.369 -4.648 1.00 50.02 H new ATOM 0 HG12 VAL A 7 -0.260 2.283 -5.381 1.00 50.02 H new ATOM 0 HG13 VAL A 7 -0.725 3.350 -4.034 1.00 50.02 H new ATOM 0 HG21 VAL A 7 1.892 2.889 -2.397 1.00 71.14 H new ATOM 0 HG22 VAL A 7 0.277 2.849 -1.651 1.00 71.14 H new ATOM 0 HG23 VAL A 7 1.371 1.456 -1.480 1.00 71.14 H new ATOM 113 N LEU A 8 -2.511 -0.110 -4.664 1.00 12.10 N ATOM 114 CA LEU A 8 -3.083 -0.748 -5.856 1.00 64.44 C ATOM 115 C LEU A 8 -3.095 0.285 -6.979 1.00 55.22 C ATOM 116 O LEU A 8 -3.864 1.239 -6.921 1.00 35.11 O ATOM 117 CB LEU A 8 -4.535 -1.262 -5.595 1.00 43.25 C ATOM 118 CG LEU A 8 -4.704 -2.491 -4.643 1.00 44.14 C ATOM 119 CD1 LEU A 8 -4.349 -2.150 -3.181 1.00 62.31 C ATOM 120 CD2 LEU A 8 -6.134 -3.078 -4.757 1.00 14.22 C ATOM 0 H LEU A 8 -3.211 0.324 -4.062 1.00 12.10 H new ATOM 0 HA LEU A 8 -2.477 -1.613 -6.125 1.00 64.44 H new ATOM 0 HB2 LEU A 8 -5.116 -0.436 -5.185 1.00 43.25 H new ATOM 0 HB3 LEU A 8 -4.980 -1.518 -6.557 1.00 43.25 H new ATOM 0 HG LEU A 8 -3.995 -3.253 -4.965 1.00 44.14 H new ATOM 0 HD11 LEU A 8 -4.482 -3.035 -2.558 1.00 62.31 H new ATOM 0 HD12 LEU A 8 -3.312 -1.820 -3.126 1.00 62.31 H new ATOM 0 HD13 LEU A 8 -5.002 -1.354 -2.824 1.00 62.31 H new ATOM 0 HD21 LEU A 8 -6.231 -3.932 -4.087 1.00 14.22 H new ATOM 0 HD22 LEU A 8 -6.863 -2.316 -4.482 1.00 14.22 H new ATOM 0 HD23 LEU A 8 -6.315 -3.399 -5.783 1.00 14.22 H new ATOM 132 N THR A 9 -2.241 0.096 -7.987 1.00 20.21 N ATOM 133 CA THR A 9 -2.080 1.058 -9.085 1.00 23.13 C ATOM 134 C THR A 9 -2.723 0.511 -10.371 1.00 10.22 C ATOM 135 O THR A 9 -2.534 -0.661 -10.716 1.00 42.54 O ATOM 136 CB THR A 9 -0.558 1.347 -9.325 1.00 51.43 C ATOM 137 OG1 THR A 9 0.145 0.123 -9.595 1.00 62.31 O ATOM 138 CG2 THR A 9 0.108 2.051 -8.126 1.00 4.13 C ATOM 0 H THR A 9 -1.642 -0.725 -8.067 1.00 20.21 H new ATOM 0 HA THR A 9 -2.579 1.988 -8.813 1.00 23.13 H new ATOM 0 HB THR A 9 -0.501 2.016 -10.183 1.00 51.43 H new ATOM 0 HG1 THR A 9 0.007 -0.134 -10.530 1.00 62.31 H new ATOM 0 HG21 THR A 9 1.161 2.227 -8.346 1.00 4.13 H new ATOM 0 HG22 THR A 9 -0.388 3.004 -7.942 1.00 4.13 H new ATOM 0 HG23 THR A 9 0.023 1.421 -7.241 1.00 4.13 H new ATOM 146 N GLY A 10 -3.459 1.395 -11.081 1.00 35.33 N ATOM 147 CA GLY A 10 -4.098 1.048 -12.356 1.00 54.24 C ATOM 148 C GLY A 10 -3.075 0.717 -13.433 1.00 20.54 C ATOM 149 O GLY A 10 -3.303 -0.144 -14.290 1.00 21.02 O ATOM 0 H GLY A 10 -3.622 2.357 -10.785 1.00 35.33 H new ATOM 0 HA2 GLY A 10 -4.760 0.194 -12.210 1.00 54.24 H new ATOM 0 HA3 GLY A 10 -4.719 1.880 -12.689 1.00 54.24 H new ATOM 153 N ASP A 11 -1.943 1.427 -13.369 1.00 24.12 N ATOM 154 CA ASP A 11 -0.731 1.151 -14.157 1.00 13.33 C ATOM 155 C ASP A 11 0.406 0.791 -13.191 1.00 61.22 C ATOM 156 O ASP A 11 0.665 1.524 -12.237 1.00 0.41 O ATOM 157 CB ASP A 11 -0.348 2.380 -15.035 1.00 21.32 C ATOM 158 CG ASP A 11 1.073 2.305 -15.639 1.00 74.43 C ATOM 159 OD1 ASP A 11 1.389 1.323 -16.348 1.00 52.44 O ATOM 160 OD2 ASP A 11 1.879 3.227 -15.394 1.00 1.45 O ATOM 0 H ASP A 11 -1.839 2.232 -12.751 1.00 24.12 H new ATOM 0 HA ASP A 11 -0.915 0.316 -14.834 1.00 13.33 H new ATOM 0 HB2 ASP A 11 -1.071 2.474 -15.845 1.00 21.32 H new ATOM 0 HB3 ASP A 11 -0.427 3.284 -14.431 1.00 21.32 H new ATOM 165 N GLU A 12 1.090 -0.327 -13.464 1.00 45.53 N ATOM 166 CA GLU A 12 2.152 -0.865 -12.594 1.00 72.05 C ATOM 167 C GLU A 12 3.445 -0.026 -12.691 1.00 14.33 C ATOM 168 O GLU A 12 4.237 0.016 -11.736 1.00 32.15 O ATOM 169 CB GLU A 12 2.414 -2.356 -12.937 1.00 22.44 C ATOM 170 CG GLU A 12 3.445 -3.041 -12.020 1.00 4.22 C ATOM 171 CD GLU A 12 3.698 -4.498 -12.394 1.00 33.03 C ATOM 172 OE1 GLU A 12 2.932 -5.357 -11.948 1.00 2.10 O ATOM 173 OE2 GLU A 12 4.658 -4.781 -13.141 1.00 45.42 O ATOM 0 H GLU A 12 0.924 -0.889 -14.299 1.00 45.53 H new ATOM 0 HA GLU A 12 1.814 -0.803 -11.560 1.00 72.05 H new ATOM 0 HB2 GLU A 12 1.472 -2.902 -12.878 1.00 22.44 H new ATOM 0 HB3 GLU A 12 2.759 -2.425 -13.969 1.00 22.44 H new ATOM 0 HG2 GLU A 12 4.385 -2.491 -12.065 1.00 4.22 H new ATOM 0 HG3 GLU A 12 3.096 -2.991 -10.989 1.00 4.22 H new ATOM 180 N ARG A 13 3.663 0.648 -13.834 1.00 74.32 N ATOM 181 CA ARG A 13 4.823 1.551 -13.997 1.00 74.55 C ATOM 182 C ARG A 13 4.722 2.751 -13.015 1.00 55.02 C ATOM 183 O ARG A 13 5.750 3.226 -12.510 1.00 32.22 O ATOM 184 CB ARG A 13 4.948 1.988 -15.486 1.00 43.22 C ATOM 185 CG ARG A 13 6.170 2.893 -15.838 1.00 52.23 C ATOM 186 CD ARG A 13 5.895 4.403 -15.679 1.00 60.11 C ATOM 187 NE ARG A 13 7.103 5.210 -15.894 1.00 3.21 N ATOM 188 CZ ARG A 13 7.137 6.545 -15.954 1.00 54.12 C ATOM 189 NH1 ARG A 13 6.021 7.262 -15.833 1.00 70.50 N ATOM 190 NH2 ARG A 13 8.299 7.155 -16.124 1.00 33.34 N ATOM 0 H ARG A 13 3.059 0.588 -14.654 1.00 74.32 H new ATOM 0 HA ARG A 13 5.741 1.023 -13.741 1.00 74.55 H new ATOM 0 HB2 ARG A 13 4.997 1.091 -16.103 1.00 43.22 H new ATOM 0 HB3 ARG A 13 4.037 2.518 -15.765 1.00 43.22 H new ATOM 0 HG2 ARG A 13 7.010 2.617 -15.200 1.00 52.23 H new ATOM 0 HG3 ARG A 13 6.472 2.695 -16.866 1.00 52.23 H new ATOM 0 HD2 ARG A 13 5.125 4.707 -16.388 1.00 60.11 H new ATOM 0 HD3 ARG A 13 5.503 4.597 -14.680 1.00 60.11 H new ATOM 0 HE ARG A 13 7.986 4.712 -16.006 1.00 3.21 H new ATOM 0 HH11 ARG A 13 5.126 6.793 -15.693 1.00 70.50 H new ATOM 0 HH12 ARG A 13 6.061 8.280 -15.881 1.00 70.50 H new ATOM 0 HH21 ARG A 13 9.155 6.607 -16.208 1.00 33.34 H new ATOM 0 HH22 ARG A 13 8.338 8.173 -16.171 1.00 33.34 H new ATOM 204 N ILE A 14 3.472 3.205 -12.737 1.00 2.01 N ATOM 205 CA ILE A 14 3.182 4.216 -11.684 1.00 50.24 C ATOM 206 C ILE A 14 3.703 3.724 -10.313 1.00 31.45 C ATOM 207 O ILE A 14 4.343 4.482 -9.589 1.00 33.54 O ATOM 208 CB ILE A 14 1.623 4.557 -11.612 1.00 61.34 C ATOM 209 CG1 ILE A 14 1.180 5.398 -12.858 1.00 63.21 C ATOM 210 CG2 ILE A 14 1.227 5.267 -10.287 1.00 25.33 C ATOM 211 CD1 ILE A 14 -0.304 5.746 -12.905 1.00 64.23 C ATOM 0 H ILE A 14 2.641 2.883 -13.233 1.00 2.01 H new ATOM 0 HA ILE A 14 3.704 5.136 -11.947 1.00 50.24 H new ATOM 0 HB ILE A 14 1.089 3.607 -11.627 1.00 61.34 H new ATOM 0 HG12 ILE A 14 1.756 6.323 -12.876 1.00 63.21 H new ATOM 0 HG13 ILE A 14 1.437 4.845 -13.761 1.00 63.21 H new ATOM 0 HG21 ILE A 14 0.157 5.475 -10.292 1.00 25.33 H new ATOM 0 HG22 ILE A 14 1.467 4.621 -9.442 1.00 25.33 H new ATOM 0 HG23 ILE A 14 1.778 6.203 -10.197 1.00 25.33 H new ATOM 0 HD11 ILE A 14 -0.513 6.328 -13.803 1.00 64.23 H new ATOM 0 HD12 ILE A 14 -0.892 4.829 -12.922 1.00 64.23 H new ATOM 0 HD13 ILE A 14 -0.569 6.330 -12.024 1.00 64.23 H new ATOM 223 N ALA A 15 3.464 2.435 -10.013 1.00 0.02 N ATOM 224 CA ALA A 15 3.900 1.793 -8.750 1.00 63.12 C ATOM 225 C ALA A 15 5.434 1.838 -8.570 1.00 11.41 C ATOM 226 O ALA A 15 5.934 1.969 -7.451 1.00 5.13 O ATOM 227 CB ALA A 15 3.394 0.345 -8.709 1.00 71.00 C ATOM 0 H ALA A 15 2.962 1.804 -10.638 1.00 0.02 H new ATOM 0 HA ALA A 15 3.469 2.356 -7.922 1.00 63.12 H new ATOM 0 HB1 ALA A 15 3.715 -0.126 -7.780 1.00 71.00 H new ATOM 0 HB2 ALA A 15 2.305 0.338 -8.762 1.00 71.00 H new ATOM 0 HB3 ALA A 15 3.802 -0.207 -9.556 1.00 71.00 H new ATOM 233 N GLU A 16 6.154 1.738 -9.693 1.00 3.11 N ATOM 234 CA GLU A 16 7.622 1.846 -9.724 1.00 51.13 C ATOM 235 C GLU A 16 8.096 3.285 -9.453 1.00 21.15 C ATOM 236 O GLU A 16 9.113 3.485 -8.787 1.00 52.13 O ATOM 237 CB GLU A 16 8.140 1.331 -11.087 1.00 55.43 C ATOM 238 CG GLU A 16 8.004 -0.191 -11.262 1.00 44.12 C ATOM 239 CD GLU A 16 8.873 -0.982 -10.269 1.00 2.20 C ATOM 240 OE1 GLU A 16 10.100 -1.075 -10.494 1.00 74.31 O ATOM 241 OE2 GLU A 16 8.348 -1.491 -9.246 1.00 13.32 O ATOM 0 H GLU A 16 5.736 1.579 -10.610 1.00 3.11 H new ATOM 0 HA GLU A 16 8.035 1.229 -8.926 1.00 51.13 H new ATOM 0 HB2 GLU A 16 7.593 1.831 -11.886 1.00 55.43 H new ATOM 0 HB3 GLU A 16 9.188 1.609 -11.196 1.00 55.43 H new ATOM 0 HG2 GLU A 16 6.960 -0.476 -11.132 1.00 44.12 H new ATOM 0 HG3 GLU A 16 8.284 -0.462 -12.280 1.00 44.12 H new ATOM 248 N GLU A 17 7.343 4.274 -9.959 1.00 1.23 N ATOM 249 CA GLU A 17 7.633 5.707 -9.728 1.00 71.31 C ATOM 250 C GLU A 17 7.449 6.079 -8.251 1.00 24.14 C ATOM 251 O GLU A 17 8.238 6.849 -7.687 1.00 53.42 O ATOM 252 CB GLU A 17 6.726 6.591 -10.617 1.00 45.52 C ATOM 253 CG GLU A 17 6.951 6.388 -12.126 1.00 44.43 C ATOM 254 CD GLU A 17 8.417 6.591 -12.561 1.00 33.15 C ATOM 255 OE1 GLU A 17 8.916 7.732 -12.465 1.00 24.32 O ATOM 256 OE2 GLU A 17 9.077 5.615 -12.988 1.00 33.21 O ATOM 0 H GLU A 17 6.519 4.110 -10.537 1.00 1.23 H new ATOM 0 HA GLU A 17 8.674 5.885 -9.996 1.00 71.31 H new ATOM 0 HB2 GLU A 17 5.683 6.378 -10.382 1.00 45.52 H new ATOM 0 HB3 GLU A 17 6.900 7.638 -10.370 1.00 45.52 H new ATOM 0 HG2 GLU A 17 6.635 5.382 -12.401 1.00 44.43 H new ATOM 0 HG3 GLU A 17 6.317 7.083 -12.677 1.00 44.43 H new ATOM 263 N LEU A 18 6.400 5.504 -7.645 1.00 14.54 N ATOM 264 CA LEU A 18 6.083 5.679 -6.218 1.00 43.54 C ATOM 265 C LEU A 18 7.143 4.978 -5.342 1.00 74.11 C ATOM 266 O LEU A 18 7.507 5.477 -4.278 1.00 64.33 O ATOM 267 CB LEU A 18 4.675 5.104 -5.924 1.00 41.44 C ATOM 268 CG LEU A 18 3.505 5.686 -6.776 1.00 42.11 C ATOM 269 CD1 LEU A 18 2.173 5.000 -6.426 1.00 4.22 C ATOM 270 CD2 LEU A 18 3.406 7.220 -6.640 1.00 25.13 C ATOM 0 H LEU A 18 5.741 4.899 -8.135 1.00 14.54 H new ATOM 0 HA LEU A 18 6.091 6.743 -5.979 1.00 43.54 H new ATOM 0 HB2 LEU A 18 4.706 4.025 -6.076 1.00 41.44 H new ATOM 0 HB3 LEU A 18 4.449 5.271 -4.871 1.00 41.44 H new ATOM 0 HG LEU A 18 3.723 5.473 -7.823 1.00 42.11 H new ATOM 0 HD11 LEU A 18 1.374 5.425 -7.034 1.00 4.22 H new ATOM 0 HD12 LEU A 18 2.251 3.931 -6.624 1.00 4.22 H new ATOM 0 HD13 LEU A 18 1.949 5.158 -5.371 1.00 4.22 H new ATOM 0 HD21 LEU A 18 2.579 7.587 -7.248 1.00 25.13 H new ATOM 0 HD22 LEU A 18 3.233 7.482 -5.596 1.00 25.13 H new ATOM 0 HD23 LEU A 18 4.336 7.676 -6.979 1.00 25.13 H new ATOM 282 N ARG A 19 7.627 3.820 -5.836 1.00 44.14 N ATOM 283 CA ARG A 19 8.683 3.014 -5.182 1.00 33.40 C ATOM 284 C ARG A 19 9.977 3.826 -5.047 1.00 61.33 C ATOM 285 O ARG A 19 10.600 3.847 -3.982 1.00 42.31 O ATOM 286 CB ARG A 19 8.944 1.712 -5.997 1.00 15.44 C ATOM 287 CG ARG A 19 9.965 0.745 -5.365 1.00 3.20 C ATOM 288 CD ARG A 19 10.212 -0.504 -6.230 1.00 12.50 C ATOM 289 NE ARG A 19 10.724 -0.178 -7.572 1.00 22.15 N ATOM 290 CZ ARG A 19 11.955 0.270 -7.856 1.00 51.51 C ATOM 291 NH1 ARG A 19 12.860 0.464 -6.898 1.00 34.13 N ATOM 292 NH2 ARG A 19 12.270 0.525 -9.116 1.00 1.14 N ATOM 0 H ARG A 19 7.293 3.412 -6.709 1.00 44.14 H new ATOM 0 HA ARG A 19 8.343 2.743 -4.183 1.00 33.40 H new ATOM 0 HB2 ARG A 19 7.998 1.186 -6.126 1.00 15.44 H new ATOM 0 HB3 ARG A 19 9.294 1.987 -6.992 1.00 15.44 H new ATOM 0 HG2 ARG A 19 10.909 1.268 -5.212 1.00 3.20 H new ATOM 0 HG3 ARG A 19 9.608 0.437 -4.382 1.00 3.20 H new ATOM 0 HD2 ARG A 19 10.924 -1.156 -5.723 1.00 12.50 H new ATOM 0 HD3 ARG A 19 9.281 -1.063 -6.327 1.00 12.50 H new ATOM 0 HE ARG A 19 10.084 -0.305 -8.356 1.00 22.15 H new ATOM 0 HH11 ARG A 19 12.622 0.271 -5.925 1.00 34.13 H new ATOM 0 HH12 ARG A 19 13.791 0.806 -7.137 1.00 34.13 H new ATOM 0 HH21 ARG A 19 11.580 0.380 -9.853 1.00 1.14 H new ATOM 0 HH22 ARG A 19 13.202 0.867 -9.350 1.00 1.14 H new ATOM 306 N LYS A 20 10.327 4.518 -6.143 1.00 74.22 N ATOM 307 CA LYS A 20 11.494 5.414 -6.217 1.00 23.32 C ATOM 308 C LYS A 20 11.406 6.517 -5.141 1.00 73.11 C ATOM 309 O LYS A 20 12.403 6.828 -4.482 1.00 53.24 O ATOM 310 CB LYS A 20 11.576 6.030 -7.646 1.00 33.20 C ATOM 311 CG LYS A 20 11.917 5.005 -8.765 1.00 0.42 C ATOM 312 CD LYS A 20 11.562 5.518 -10.187 1.00 54.04 C ATOM 313 CE LYS A 20 12.311 6.799 -10.592 1.00 32.45 C ATOM 314 NZ LYS A 20 11.749 7.395 -11.840 1.00 42.14 N ATOM 0 H LYS A 20 9.800 4.471 -7.015 1.00 74.22 H new ATOM 0 HA LYS A 20 12.402 4.842 -6.024 1.00 23.32 H new ATOM 0 HB2 LYS A 20 10.622 6.503 -7.881 1.00 33.20 H new ATOM 0 HB3 LYS A 20 12.331 6.817 -7.647 1.00 33.20 H new ATOM 0 HG2 LYS A 20 12.981 4.772 -8.724 1.00 0.42 H new ATOM 0 HG3 LYS A 20 11.379 4.076 -8.575 1.00 0.42 H new ATOM 0 HD2 LYS A 20 11.784 4.734 -10.911 1.00 54.04 H new ATOM 0 HD3 LYS A 20 10.489 5.704 -10.238 1.00 54.04 H new ATOM 0 HE2 LYS A 20 12.252 7.527 -9.783 1.00 32.45 H new ATOM 0 HE3 LYS A 20 13.367 6.572 -10.740 1.00 32.45 H new ATOM 0 HZ1 LYS A 20 12.135 8.352 -11.972 1.00 42.14 H new ATOM 0 HZ2 LYS A 20 12.007 6.802 -12.655 1.00 42.14 H new ATOM 0 HZ3 LYS A 20 10.713 7.447 -11.764 1.00 42.14 H new ATOM 328 N GLU A 21 10.182 7.057 -4.940 1.00 72.13 N ATOM 329 CA GLU A 21 9.918 8.138 -3.960 1.00 24.05 C ATOM 330 C GLU A 21 10.156 7.681 -2.521 1.00 12.05 C ATOM 331 O GLU A 21 10.792 8.395 -1.738 1.00 23.03 O ATOM 332 CB GLU A 21 8.472 8.667 -4.097 1.00 23.35 C ATOM 333 CG GLU A 21 8.155 9.215 -5.487 1.00 53.23 C ATOM 334 CD GLU A 21 9.122 10.324 -5.963 1.00 42.22 C ATOM 335 OE1 GLU A 21 9.191 11.392 -5.318 1.00 2.13 O ATOM 336 OE2 GLU A 21 9.805 10.137 -6.991 1.00 65.34 O ATOM 0 H GLU A 21 9.351 6.757 -5.450 1.00 72.13 H new ATOM 0 HA GLU A 21 10.621 8.940 -4.184 1.00 24.05 H new ATOM 0 HB2 GLU A 21 7.775 7.862 -3.865 1.00 23.35 H new ATOM 0 HB3 GLU A 21 8.309 9.453 -3.359 1.00 23.35 H new ATOM 0 HG2 GLU A 21 8.179 8.394 -6.204 1.00 53.23 H new ATOM 0 HG3 GLU A 21 7.139 9.609 -5.488 1.00 53.23 H new ATOM 343 N VAL A 22 9.636 6.487 -2.193 1.00 24.40 N ATOM 344 CA VAL A 22 9.721 5.913 -0.841 1.00 63.10 C ATOM 345 C VAL A 22 11.185 5.628 -0.459 1.00 24.22 C ATOM 346 O VAL A 22 11.599 5.900 0.664 1.00 60.10 O ATOM 347 CB VAL A 22 8.891 4.586 -0.720 1.00 31.53 C ATOM 348 CG1 VAL A 22 8.960 4.019 0.711 1.00 44.43 C ATOM 349 CG2 VAL A 22 7.426 4.796 -1.149 1.00 40.51 C ATOM 0 H VAL A 22 9.144 5.892 -2.859 1.00 24.40 H new ATOM 0 HA VAL A 22 9.301 6.651 -0.157 1.00 63.10 H new ATOM 0 HB VAL A 22 9.338 3.859 -1.399 1.00 31.53 H new ATOM 0 HG11 VAL A 22 8.377 3.100 0.767 1.00 44.43 H new ATOM 0 HG12 VAL A 22 9.998 3.806 0.968 1.00 44.43 H new ATOM 0 HG13 VAL A 22 8.555 4.749 1.412 1.00 44.43 H new ATOM 0 HG21 VAL A 22 6.881 3.857 -1.053 1.00 40.51 H new ATOM 0 HG22 VAL A 22 6.965 5.551 -0.512 1.00 40.51 H new ATOM 0 HG23 VAL A 22 7.395 5.129 -2.186 1.00 40.51 H new ATOM 359 N GLN A 23 11.957 5.097 -1.419 1.00 3.10 N ATOM 360 CA GLN A 23 13.375 4.737 -1.210 1.00 61.42 C ATOM 361 C GLN A 23 14.250 5.996 -1.021 1.00 32.10 C ATOM 362 O GLN A 23 15.226 5.971 -0.268 1.00 30.25 O ATOM 363 CB GLN A 23 13.887 3.869 -2.393 1.00 52.33 C ATOM 364 CG GLN A 23 13.137 2.526 -2.543 1.00 10.53 C ATOM 365 CD GLN A 23 13.519 1.741 -3.804 1.00 43.23 C ATOM 366 OE1 GLN A 23 13.855 2.315 -4.841 1.00 45.01 O ATOM 367 NE2 GLN A 23 13.455 0.419 -3.737 1.00 13.31 N ATOM 0 H GLN A 23 11.620 4.904 -2.362 1.00 3.10 H new ATOM 0 HA GLN A 23 13.450 4.150 -0.294 1.00 61.42 H new ATOM 0 HB2 GLN A 23 13.788 4.436 -3.319 1.00 52.33 H new ATOM 0 HB3 GLN A 23 14.949 3.669 -2.253 1.00 52.33 H new ATOM 0 HG2 GLN A 23 13.338 1.909 -1.667 1.00 10.53 H new ATOM 0 HG3 GLN A 23 12.064 2.719 -2.558 1.00 10.53 H new ATOM 0 HE21 GLN A 23 13.174 -0.035 -2.868 1.00 13.31 H new ATOM 0 HE22 GLN A 23 13.687 -0.145 -4.555 1.00 13.31 H new ATOM 376 N LYS A 24 13.876 7.092 -1.702 1.00 31.12 N ATOM 377 CA LYS A 24 14.546 8.402 -1.554 1.00 42.34 C ATOM 378 C LYS A 24 14.140 9.078 -0.221 1.00 63.22 C ATOM 379 O LYS A 24 14.940 9.789 0.391 1.00 12.31 O ATOM 380 CB LYS A 24 14.202 9.325 -2.758 1.00 31.41 C ATOM 381 CG LYS A 24 14.798 8.880 -4.117 1.00 21.13 C ATOM 382 CD LYS A 24 14.439 9.847 -5.281 1.00 74.51 C ATOM 383 CE LYS A 24 12.922 10.038 -5.462 1.00 12.51 C ATOM 384 NZ LYS A 24 12.589 10.912 -6.629 1.00 45.54 N ATOM 0 H LYS A 24 13.104 7.099 -2.369 1.00 31.12 H new ATOM 0 HA LYS A 24 15.623 8.236 -1.539 1.00 42.34 H new ATOM 0 HB2 LYS A 24 13.118 9.381 -2.855 1.00 31.41 H new ATOM 0 HB3 LYS A 24 14.555 10.332 -2.536 1.00 31.41 H new ATOM 0 HG2 LYS A 24 15.882 8.813 -4.028 1.00 21.13 H new ATOM 0 HG3 LYS A 24 14.436 7.880 -4.357 1.00 21.13 H new ATOM 0 HD2 LYS A 24 14.902 10.816 -5.096 1.00 74.51 H new ATOM 0 HD3 LYS A 24 14.864 9.463 -6.208 1.00 74.51 H new ATOM 0 HE2 LYS A 24 12.450 9.065 -5.595 1.00 12.51 H new ATOM 0 HE3 LYS A 24 12.503 10.474 -4.555 1.00 12.51 H new ATOM 0 HZ1 LYS A 24 11.594 10.770 -6.896 1.00 45.54 H new ATOM 0 HZ2 LYS A 24 12.740 11.908 -6.371 1.00 45.54 H new ATOM 0 HZ3 LYS A 24 13.202 10.666 -7.433 1.00 45.54 H new ATOM 398 N HIS A 25 12.886 8.836 0.212 1.00 1.15 N ATOM 399 CA HIS A 25 12.305 9.429 1.442 1.00 53.45 C ATOM 400 C HIS A 25 12.925 8.776 2.695 1.00 50.33 C ATOM 401 O HIS A 25 13.339 9.464 3.637 1.00 21.44 O ATOM 402 CB HIS A 25 10.760 9.239 1.419 1.00 34.22 C ATOM 403 CG HIS A 25 10.012 9.868 2.575 1.00 0.54 C ATOM 404 ND1 HIS A 25 9.446 11.113 2.461 1.00 75.14 N ATOM 405 CD2 HIS A 25 9.735 9.375 3.812 1.00 42.42 C ATOM 406 CE1 HIS A 25 8.842 11.347 3.615 1.00 21.45 C ATOM 407 NE2 HIS A 25 8.989 10.321 4.462 1.00 43.35 N ATOM 0 H HIS A 25 12.241 8.220 -0.283 1.00 1.15 H new ATOM 0 HA HIS A 25 12.530 10.495 1.478 1.00 53.45 H new ATOM 0 HB2 HIS A 25 10.373 9.655 0.489 1.00 34.22 H new ATOM 0 HB3 HIS A 25 10.542 8.171 1.405 1.00 34.22 H new ATOM 0 HD2 HIS A 25 10.045 8.419 4.207 1.00 42.42 H new ATOM 0 HE1 HIS A 25 8.299 12.252 3.844 1.00 21.45 H new ATOM 0 HE2 HIS A 25 8.617 10.256 5.409 1.00 43.35 H new ATOM 415 N ASP A 26 12.954 7.441 2.680 1.00 43.33 N ATOM 416 CA ASP A 26 13.536 6.606 3.737 1.00 62.55 C ATOM 417 C ASP A 26 13.872 5.224 3.118 1.00 64.44 C ATOM 418 O ASP A 26 12.962 4.421 2.882 1.00 42.22 O ATOM 419 CB ASP A 26 12.571 6.475 4.966 1.00 55.40 C ATOM 420 CG ASP A 26 13.142 5.656 6.154 1.00 14.10 C ATOM 421 OD1 ASP A 26 14.382 5.523 6.285 1.00 24.53 O ATOM 422 OD2 ASP A 26 12.346 5.145 6.977 1.00 44.01 O ATOM 0 H ASP A 26 12.563 6.895 1.912 1.00 43.33 H new ATOM 0 HA ASP A 26 14.445 7.069 4.121 1.00 62.55 H new ATOM 0 HB2 ASP A 26 12.318 7.474 5.320 1.00 55.40 H new ATOM 0 HB3 ASP A 26 11.643 6.009 4.634 1.00 55.40 H new ATOM 427 N PRO A 27 15.188 4.924 2.848 1.00 1.44 N ATOM 428 CA PRO A 27 15.616 3.650 2.191 1.00 11.14 C ATOM 429 C PRO A 27 15.430 2.402 3.088 1.00 12.13 C ATOM 430 O PRO A 27 15.494 1.260 2.603 1.00 11.43 O ATOM 431 CB PRO A 27 17.112 3.915 1.872 1.00 21.04 C ATOM 432 CG PRO A 27 17.554 4.890 2.917 1.00 70.42 C ATOM 433 CD PRO A 27 16.365 5.795 3.140 1.00 71.42 C ATOM 0 HA PRO A 27 15.014 3.417 1.313 1.00 11.14 H new ATOM 0 HB2 PRO A 27 17.696 2.995 1.916 1.00 21.04 H new ATOM 0 HB3 PRO A 27 17.237 4.324 0.870 1.00 21.04 H new ATOM 0 HG2 PRO A 27 17.839 4.380 3.837 1.00 70.42 H new ATOM 0 HG3 PRO A 27 18.424 5.457 2.585 1.00 70.42 H new ATOM 0 HD2 PRO A 27 16.338 6.174 4.162 1.00 71.42 H new ATOM 0 HD3 PRO A 27 16.394 6.662 2.480 1.00 71.42 H new ATOM 441 N ASN A 28 15.187 2.631 4.392 1.00 1.43 N ATOM 442 CA ASN A 28 14.990 1.553 5.382 1.00 31.04 C ATOM 443 C ASN A 28 13.584 0.926 5.260 1.00 13.54 C ATOM 444 O ASN A 28 13.369 -0.219 5.695 1.00 51.14 O ATOM 445 CB ASN A 28 15.216 2.090 6.814 1.00 71.13 C ATOM 446 CG ASN A 28 16.638 2.595 7.069 1.00 71.32 C ATOM 447 OD1 ASN A 28 17.519 1.845 7.495 1.00 11.20 O ATOM 448 ND2 ASN A 28 16.868 3.869 6.833 1.00 5.31 N ATOM 0 H ASN A 28 15.122 3.568 4.790 1.00 1.43 H new ATOM 0 HA ASN A 28 15.723 0.773 5.176 1.00 31.04 H new ATOM 0 HB2 ASN A 28 14.513 2.902 7.002 1.00 71.13 H new ATOM 0 HB3 ASN A 28 14.988 1.299 7.528 1.00 71.13 H new ATOM 0 HD21 ASN A 28 17.795 4.260 7.002 1.00 5.31 H new ATOM 0 HD22 ASN A 28 16.119 4.466 6.481 1.00 5.31 H new ATOM 455 N VAL A 29 12.634 1.685 4.683 1.00 71.31 N ATOM 456 CA VAL A 29 11.280 1.184 4.377 1.00 52.54 C ATOM 457 C VAL A 29 11.357 0.127 3.262 1.00 2.31 C ATOM 458 O VAL A 29 11.908 0.406 2.183 1.00 24.40 O ATOM 459 CB VAL A 29 10.316 2.341 3.922 1.00 4.34 C ATOM 460 CG1 VAL A 29 8.891 1.820 3.632 1.00 4.33 C ATOM 461 CG2 VAL A 29 10.287 3.462 4.966 1.00 62.11 C ATOM 0 H VAL A 29 12.782 2.658 4.417 1.00 71.31 H new ATOM 0 HA VAL A 29 10.878 0.745 5.290 1.00 52.54 H new ATOM 0 HB VAL A 29 10.708 2.747 2.989 1.00 4.34 H new ATOM 0 HG11 VAL A 29 8.257 2.650 3.321 1.00 4.33 H new ATOM 0 HG12 VAL A 29 8.931 1.076 2.837 1.00 4.33 H new ATOM 0 HG13 VAL A 29 8.479 1.366 4.533 1.00 4.33 H new ATOM 0 HG21 VAL A 29 9.615 4.252 4.633 1.00 62.11 H new ATOM 0 HG22 VAL A 29 9.935 3.064 5.918 1.00 62.11 H new ATOM 0 HG23 VAL A 29 11.291 3.868 5.092 1.00 62.11 H new ATOM 471 N LYS A 30 10.803 -1.072 3.513 1.00 45.22 N ATOM 472 CA LYS A 30 10.806 -2.151 2.525 1.00 11.32 C ATOM 473 C LYS A 30 9.722 -1.926 1.468 1.00 13.55 C ATOM 474 O LYS A 30 8.543 -1.859 1.779 1.00 12.32 O ATOM 475 CB LYS A 30 10.663 -3.530 3.215 1.00 61.11 C ATOM 476 CG LYS A 30 11.918 -3.947 4.015 1.00 31.42 C ATOM 477 CD LYS A 30 13.222 -3.881 3.162 1.00 5.34 C ATOM 478 CE LYS A 30 13.246 -4.883 1.986 1.00 44.22 C ATOM 479 NZ LYS A 30 13.230 -6.296 2.445 1.00 34.13 N ATOM 0 H LYS A 30 10.349 -1.313 4.394 1.00 45.22 H new ATOM 0 HA LYS A 30 11.767 -2.144 2.010 1.00 11.32 H new ATOM 0 HB2 LYS A 30 9.805 -3.505 3.886 1.00 61.11 H new ATOM 0 HB3 LYS A 30 10.455 -4.287 2.459 1.00 61.11 H new ATOM 0 HG2 LYS A 30 12.023 -3.297 4.884 1.00 31.42 H new ATOM 0 HG3 LYS A 30 11.785 -4.962 4.390 1.00 31.42 H new ATOM 0 HD2 LYS A 30 13.338 -2.871 2.769 1.00 5.34 H new ATOM 0 HD3 LYS A 30 14.079 -4.072 3.808 1.00 5.34 H new ATOM 0 HE2 LYS A 30 12.385 -4.703 1.342 1.00 44.22 H new ATOM 0 HE3 LYS A 30 14.137 -4.710 1.383 1.00 44.22 H new ATOM 0 HZ1 LYS A 30 14.001 -6.820 1.984 1.00 34.13 H new ATOM 0 HZ2 LYS A 30 13.359 -6.327 3.477 1.00 34.13 H new ATOM 0 HZ3 LYS A 30 12.319 -6.731 2.197 1.00 34.13 H new ATOM 493 N THR A 31 10.167 -1.795 0.222 1.00 44.43 N ATOM 494 CA THR A 31 9.291 -1.590 -0.942 1.00 71.14 C ATOM 495 C THR A 31 9.201 -2.908 -1.711 1.00 42.14 C ATOM 496 O THR A 31 10.221 -3.427 -2.191 1.00 52.41 O ATOM 497 CB THR A 31 9.842 -0.437 -1.847 1.00 35.43 C ATOM 498 OG1 THR A 31 11.275 -0.535 -1.958 1.00 70.22 O ATOM 499 CG2 THR A 31 9.468 0.948 -1.297 1.00 54.41 C ATOM 0 H THR A 31 11.158 -1.828 -0.018 1.00 44.43 H new ATOM 0 HA THR A 31 8.294 -1.292 -0.617 1.00 71.14 H new ATOM 0 HB THR A 31 9.385 -0.548 -2.830 1.00 35.43 H new ATOM 0 HG1 THR A 31 11.530 -1.472 -2.090 1.00 70.22 H new ATOM 0 HG21 THR A 31 9.869 1.720 -1.953 1.00 54.41 H new ATOM 0 HG22 THR A 31 8.383 1.040 -1.249 1.00 54.41 H new ATOM 0 HG23 THR A 31 9.887 1.068 -0.298 1.00 54.41 H new ATOM 507 N VAL A 32 7.976 -3.455 -1.817 1.00 44.04 N ATOM 508 CA VAL A 32 7.740 -4.831 -2.286 1.00 51.11 C ATOM 509 C VAL A 32 6.654 -4.819 -3.386 1.00 2.32 C ATOM 510 O VAL A 32 5.483 -4.657 -3.077 1.00 70.51 O ATOM 511 CB VAL A 32 7.278 -5.747 -1.078 1.00 63.41 C ATOM 512 CG1 VAL A 32 7.088 -7.215 -1.506 1.00 72.34 C ATOM 513 CG2 VAL A 32 8.255 -5.651 0.119 1.00 40.42 C ATOM 0 H VAL A 32 7.121 -2.953 -1.579 1.00 44.04 H new ATOM 0 HA VAL A 32 8.666 -5.235 -2.696 1.00 51.11 H new ATOM 0 HB VAL A 32 6.309 -5.368 -0.754 1.00 63.41 H new ATOM 0 HG11 VAL A 32 6.771 -7.806 -0.647 1.00 72.34 H new ATOM 0 HG12 VAL A 32 6.328 -7.271 -2.285 1.00 72.34 H new ATOM 0 HG13 VAL A 32 8.030 -7.607 -1.889 1.00 72.34 H new ATOM 0 HG21 VAL A 32 7.904 -6.293 0.927 1.00 40.42 H new ATOM 0 HG22 VAL A 32 9.248 -5.973 -0.195 1.00 40.42 H new ATOM 0 HG23 VAL A 32 8.302 -4.620 0.469 1.00 40.42 H new ATOM 523 N PRO A 33 7.029 -4.981 -4.689 1.00 21.31 N ATOM 524 CA PRO A 33 6.051 -4.996 -5.807 1.00 30.33 C ATOM 525 C PRO A 33 5.337 -6.362 -5.989 1.00 23.30 C ATOM 526 O PRO A 33 5.499 -7.290 -5.179 1.00 63.13 O ATOM 527 CB PRO A 33 6.945 -4.643 -7.018 1.00 61.01 C ATOM 528 CG PRO A 33 8.275 -5.239 -6.686 1.00 71.23 C ATOM 529 CD PRO A 33 8.426 -5.099 -5.187 1.00 12.51 C ATOM 0 HA PRO A 33 5.220 -4.309 -5.649 1.00 30.33 H new ATOM 0 HB2 PRO A 33 6.543 -5.058 -7.942 1.00 61.01 H new ATOM 0 HB3 PRO A 33 7.017 -3.564 -7.158 1.00 61.01 H new ATOM 0 HG2 PRO A 33 8.321 -6.285 -6.988 1.00 71.23 H new ATOM 0 HG3 PRO A 33 9.078 -4.721 -7.210 1.00 71.23 H new ATOM 0 HD2 PRO A 33 8.931 -5.963 -4.755 1.00 12.51 H new ATOM 0 HD3 PRO A 33 9.017 -4.221 -4.927 1.00 12.51 H new ATOM 537 N THR A 34 4.562 -6.464 -7.093 1.00 21.53 N ATOM 538 CA THR A 34 3.808 -7.693 -7.464 1.00 12.01 C ATOM 539 C THR A 34 4.747 -8.855 -7.875 1.00 73.31 C ATOM 540 O THR A 34 4.291 -9.980 -8.124 1.00 33.22 O ATOM 541 CB THR A 34 2.830 -7.423 -8.651 1.00 3.53 C ATOM 542 OG1 THR A 34 3.582 -7.175 -9.847 1.00 21.54 O ATOM 543 CG2 THR A 34 1.909 -6.230 -8.388 1.00 42.11 C ATOM 0 H THR A 34 4.439 -5.698 -7.755 1.00 21.53 H new ATOM 0 HA THR A 34 3.250 -7.978 -6.572 1.00 12.01 H new ATOM 0 HB THR A 34 2.206 -8.310 -8.763 1.00 3.53 H new ATOM 0 HG1 THR A 34 3.113 -6.514 -10.397 1.00 21.54 H new ATOM 0 HG21 THR A 34 1.249 -6.084 -9.243 1.00 42.11 H new ATOM 0 HG22 THR A 34 1.311 -6.421 -7.497 1.00 42.11 H new ATOM 0 HG23 THR A 34 2.510 -5.333 -8.237 1.00 42.11 H new ATOM 551 N LYS A 35 6.047 -8.549 -7.987 1.00 33.24 N ATOM 552 CA LYS A 35 7.097 -9.524 -8.306 1.00 24.41 C ATOM 553 C LYS A 35 7.314 -10.439 -7.091 1.00 23.23 C ATOM 554 O LYS A 35 7.475 -11.655 -7.225 1.00 52.11 O ATOM 555 CB LYS A 35 8.395 -8.759 -8.690 1.00 53.41 C ATOM 556 CG LYS A 35 8.172 -7.679 -9.776 1.00 45.33 C ATOM 557 CD LYS A 35 9.448 -6.881 -10.131 1.00 70.11 C ATOM 558 CE LYS A 35 9.164 -5.722 -11.107 1.00 2.01 C ATOM 559 NZ LYS A 35 8.500 -6.181 -12.362 1.00 45.21 N ATOM 0 H LYS A 35 6.403 -7.602 -7.856 1.00 33.24 H new ATOM 0 HA LYS A 35 6.807 -10.147 -9.152 1.00 24.41 H new ATOM 0 HB2 LYS A 35 8.808 -8.287 -7.798 1.00 53.41 H new ATOM 0 HB3 LYS A 35 9.138 -9.473 -9.045 1.00 53.41 H new ATOM 0 HG2 LYS A 35 7.791 -8.157 -10.678 1.00 45.33 H new ATOM 0 HG3 LYS A 35 7.404 -6.985 -9.434 1.00 45.33 H new ATOM 0 HD2 LYS A 35 9.890 -6.483 -9.218 1.00 70.11 H new ATOM 0 HD3 LYS A 35 10.182 -7.554 -10.574 1.00 70.11 H new ATOM 0 HE2 LYS A 35 8.532 -4.983 -10.614 1.00 2.01 H new ATOM 0 HE3 LYS A 35 10.101 -5.224 -11.357 1.00 2.01 H new ATOM 0 HZ1 LYS A 35 8.408 -5.380 -13.019 1.00 45.21 H new ATOM 0 HZ2 LYS A 35 9.073 -6.928 -12.805 1.00 45.21 H new ATOM 0 HZ3 LYS A 35 7.556 -6.556 -12.138 1.00 45.21 H new ATOM 573 N ASP A 36 7.272 -9.820 -5.896 1.00 2.03 N ATOM 574 CA ASP A 36 7.392 -10.509 -4.597 1.00 35.42 C ATOM 575 C ASP A 36 5.994 -10.591 -3.938 1.00 44.52 C ATOM 576 O ASP A 36 5.887 -10.597 -2.713 1.00 72.31 O ATOM 577 CB ASP A 36 8.393 -9.748 -3.670 1.00 72.03 C ATOM 578 CG ASP A 36 9.714 -9.379 -4.352 1.00 54.12 C ATOM 579 OD1 ASP A 36 10.650 -10.212 -4.369 1.00 64.42 O ATOM 580 OD2 ASP A 36 9.815 -8.251 -4.885 1.00 65.05 O ATOM 0 H ASP A 36 7.152 -8.811 -5.805 1.00 2.03 H new ATOM 0 HA ASP A 36 7.777 -11.517 -4.752 1.00 35.42 H new ATOM 0 HB2 ASP A 36 7.916 -8.837 -3.307 1.00 72.03 H new ATOM 0 HB3 ASP A 36 8.606 -10.366 -2.798 1.00 72.03 H new ATOM 585 N LYS A 37 4.942 -10.703 -4.785 1.00 54.33 N ATOM 586 CA LYS A 37 3.505 -10.690 -4.385 1.00 14.02 C ATOM 587 C LYS A 37 3.199 -11.730 -3.291 1.00 61.22 C ATOM 588 O LYS A 37 2.531 -11.450 -2.297 1.00 73.55 O ATOM 589 CB LYS A 37 2.645 -11.000 -5.634 1.00 52.43 C ATOM 590 CG LYS A 37 1.119 -10.846 -5.466 1.00 21.42 C ATOM 591 CD LYS A 37 0.282 -11.552 -6.578 1.00 72.41 C ATOM 592 CE LYS A 37 0.705 -11.242 -8.031 1.00 25.20 C ATOM 593 NZ LYS A 37 1.896 -12.035 -8.465 1.00 1.10 N ATOM 0 H LYS A 37 5.068 -10.808 -5.792 1.00 54.33 H new ATOM 0 HA LYS A 37 3.272 -9.706 -3.979 1.00 14.02 H new ATOM 0 HB2 LYS A 37 2.968 -10.346 -6.443 1.00 52.43 H new ATOM 0 HB3 LYS A 37 2.854 -12.023 -5.948 1.00 52.43 H new ATOM 0 HG2 LYS A 37 0.828 -11.249 -4.496 1.00 21.42 H new ATOM 0 HG3 LYS A 37 0.870 -9.785 -5.457 1.00 21.42 H new ATOM 0 HD2 LYS A 37 0.341 -12.629 -6.423 1.00 72.41 H new ATOM 0 HD3 LYS A 37 -0.764 -11.270 -6.455 1.00 72.41 H new ATOM 0 HE2 LYS A 37 -0.129 -11.451 -8.701 1.00 25.20 H new ATOM 0 HE3 LYS A 37 0.928 -10.179 -8.122 1.00 25.20 H new ATOM 0 HZ1 LYS A 37 1.744 -12.390 -9.431 1.00 1.10 H new ATOM 0 HZ2 LYS A 37 2.741 -11.429 -8.448 1.00 1.10 H new ATOM 0 HZ3 LYS A 37 2.033 -12.838 -7.819 1.00 1.10 H new ATOM 607 N GLU A 38 3.735 -12.920 -3.504 1.00 72.10 N ATOM 608 CA GLU A 38 3.562 -14.072 -2.619 1.00 1.21 C ATOM 609 C GLU A 38 4.381 -13.848 -1.331 1.00 24.20 C ATOM 610 O GLU A 38 3.935 -14.159 -0.229 1.00 43.43 O ATOM 611 CB GLU A 38 4.034 -15.366 -3.333 1.00 55.11 C ATOM 612 CG GLU A 38 3.297 -15.728 -4.657 1.00 1.14 C ATOM 613 CD GLU A 38 3.557 -14.758 -5.837 1.00 2.45 C ATOM 614 OE1 GLU A 38 4.739 -14.389 -6.069 1.00 74.01 O ATOM 615 OE2 GLU A 38 2.586 -14.335 -6.511 1.00 24.43 O ATOM 0 H GLU A 38 4.318 -13.122 -4.316 1.00 72.10 H new ATOM 0 HA GLU A 38 2.508 -14.181 -2.364 1.00 1.21 H new ATOM 0 HB2 GLU A 38 5.098 -15.270 -3.548 1.00 55.11 H new ATOM 0 HB3 GLU A 38 3.923 -16.200 -2.640 1.00 55.11 H new ATOM 0 HG2 GLU A 38 3.596 -16.732 -4.959 1.00 1.14 H new ATOM 0 HG3 GLU A 38 2.225 -15.760 -4.462 1.00 1.14 H new ATOM 622 N LYS A 39 5.571 -13.244 -1.522 1.00 62.25 N ATOM 623 CA LYS A 39 6.610 -13.075 -0.481 1.00 5.53 C ATOM 624 C LYS A 39 6.321 -11.878 0.457 1.00 20.11 C ATOM 625 O LYS A 39 7.049 -11.678 1.443 1.00 62.24 O ATOM 626 CB LYS A 39 7.989 -12.908 -1.187 1.00 53.32 C ATOM 627 CG LYS A 39 8.318 -14.041 -2.191 1.00 12.40 C ATOM 628 CD LYS A 39 9.656 -13.837 -2.939 1.00 43.31 C ATOM 629 CE LYS A 39 9.947 -14.983 -3.934 1.00 63.31 C ATOM 630 NZ LYS A 39 11.218 -14.773 -4.685 1.00 72.12 N ATOM 0 H LYS A 39 5.844 -12.851 -2.423 1.00 62.25 H new ATOM 0 HA LYS A 39 6.614 -13.960 0.155 1.00 5.53 H new ATOM 0 HB2 LYS A 39 8.004 -11.953 -1.713 1.00 53.32 H new ATOM 0 HB3 LYS A 39 8.772 -12.867 -0.430 1.00 53.32 H new ATOM 0 HG2 LYS A 39 8.351 -14.990 -1.656 1.00 12.40 H new ATOM 0 HG3 LYS A 39 7.511 -14.114 -2.920 1.00 12.40 H new ATOM 0 HD2 LYS A 39 9.629 -12.889 -3.476 1.00 43.31 H new ATOM 0 HD3 LYS A 39 10.469 -13.771 -2.216 1.00 43.31 H new ATOM 0 HE2 LYS A 39 10.000 -15.927 -3.392 1.00 63.31 H new ATOM 0 HE3 LYS A 39 9.120 -15.067 -4.640 1.00 63.31 H new ATOM 0 HZ1 LYS A 39 11.370 -15.567 -5.339 1.00 72.12 H new ATOM 0 HZ2 LYS A 39 11.160 -13.886 -5.225 1.00 72.12 H new ATOM 0 HZ3 LYS A 39 12.012 -14.719 -4.015 1.00 72.12 H new ATOM 644 N VAL A 40 5.253 -11.102 0.149 1.00 60.11 N ATOM 645 CA VAL A 40 4.811 -9.941 0.962 1.00 11.32 C ATOM 646 C VAL A 40 4.493 -10.367 2.411 1.00 4.33 C ATOM 647 O VAL A 40 4.853 -9.672 3.353 1.00 25.21 O ATOM 648 CB VAL A 40 3.541 -9.222 0.352 1.00 34.45 C ATOM 649 CG1 VAL A 40 3.070 -8.056 1.247 1.00 12.21 C ATOM 650 CG2 VAL A 40 3.808 -8.723 -1.086 1.00 24.10 C ATOM 0 H VAL A 40 4.672 -11.264 -0.673 1.00 60.11 H new ATOM 0 HA VAL A 40 5.642 -9.236 0.955 1.00 11.32 H new ATOM 0 HB VAL A 40 2.744 -9.964 0.310 1.00 34.45 H new ATOM 0 HG11 VAL A 40 2.196 -7.584 0.799 1.00 12.21 H new ATOM 0 HG12 VAL A 40 2.810 -8.437 2.235 1.00 12.21 H new ATOM 0 HG13 VAL A 40 3.871 -7.323 1.340 1.00 12.21 H new ATOM 0 HG21 VAL A 40 2.914 -8.234 -1.473 1.00 24.10 H new ATOM 0 HG22 VAL A 40 4.635 -8.013 -1.077 1.00 24.10 H new ATOM 0 HG23 VAL A 40 4.064 -9.570 -1.723 1.00 24.10 H new ATOM 660 N LYS A 41 3.831 -11.524 2.552 1.00 1.43 N ATOM 661 CA LYS A 41 3.411 -12.097 3.847 1.00 21.43 C ATOM 662 C LYS A 41 4.608 -12.259 4.830 1.00 21.44 C ATOM 663 O LYS A 41 4.474 -12.025 6.041 1.00 30.04 O ATOM 664 CB LYS A 41 2.696 -13.445 3.571 1.00 62.51 C ATOM 665 CG LYS A 41 2.038 -14.107 4.798 1.00 44.32 C ATOM 666 CD LYS A 41 1.235 -15.382 4.418 1.00 2.33 C ATOM 667 CE LYS A 41 0.659 -16.108 5.645 1.00 42.13 C ATOM 668 NZ LYS A 41 -0.181 -17.283 5.260 1.00 1.41 N ATOM 0 H LYS A 41 3.565 -12.103 1.755 1.00 1.43 H new ATOM 0 HA LYS A 41 2.720 -11.414 4.341 1.00 21.43 H new ATOM 0 HB2 LYS A 41 1.930 -13.282 2.813 1.00 62.51 H new ATOM 0 HB3 LYS A 41 3.420 -14.141 3.148 1.00 62.51 H new ATOM 0 HG2 LYS A 41 2.808 -14.368 5.524 1.00 44.32 H new ATOM 0 HG3 LYS A 41 1.373 -13.392 5.281 1.00 44.32 H new ATOM 0 HD2 LYS A 41 0.420 -15.107 3.748 1.00 2.33 H new ATOM 0 HD3 LYS A 41 1.883 -16.064 3.868 1.00 2.33 H new ATOM 0 HE2 LYS A 41 1.476 -16.441 6.285 1.00 42.13 H new ATOM 0 HE3 LYS A 41 0.060 -15.411 6.230 1.00 42.13 H new ATOM 0 HZ1 LYS A 41 -0.549 -17.743 6.117 1.00 1.41 H new ATOM 0 HZ2 LYS A 41 -0.976 -16.963 4.670 1.00 1.41 H new ATOM 0 HZ3 LYS A 41 0.396 -17.962 4.724 1.00 1.41 H new ATOM 682 N GLU A 42 5.780 -12.626 4.266 1.00 44.12 N ATOM 683 CA GLU A 42 7.056 -12.702 5.013 1.00 60.31 C ATOM 684 C GLU A 42 7.623 -11.290 5.270 1.00 63.11 C ATOM 685 O GLU A 42 8.145 -11.012 6.347 1.00 64.30 O ATOM 686 CB GLU A 42 8.088 -13.562 4.229 1.00 41.24 C ATOM 687 CG GLU A 42 7.595 -14.971 3.852 1.00 54.41 C ATOM 688 CD GLU A 42 7.180 -15.820 5.065 1.00 10.40 C ATOM 689 OE1 GLU A 42 8.070 -16.386 5.732 1.00 54.33 O ATOM 690 OE2 GLU A 42 5.972 -15.909 5.368 1.00 23.25 O ATOM 0 H GLU A 42 5.868 -12.878 3.281 1.00 44.12 H new ATOM 0 HA GLU A 42 6.863 -13.175 5.976 1.00 60.31 H new ATOM 0 HB2 GLU A 42 8.364 -13.032 3.317 1.00 41.24 H new ATOM 0 HB3 GLU A 42 8.993 -13.657 4.829 1.00 41.24 H new ATOM 0 HG2 GLU A 42 6.746 -14.881 3.174 1.00 54.41 H new ATOM 0 HG3 GLU A 42 8.384 -15.490 3.308 1.00 54.41 H new ATOM 697 N GLU A 43 7.495 -10.407 4.264 1.00 14.11 N ATOM 698 CA GLU A 43 7.980 -9.006 4.326 1.00 65.44 C ATOM 699 C GLU A 43 7.234 -8.162 5.392 1.00 54.40 C ATOM 700 O GLU A 43 7.779 -7.168 5.903 1.00 14.41 O ATOM 701 CB GLU A 43 7.871 -8.363 2.923 1.00 74.45 C ATOM 702 CG GLU A 43 8.902 -8.874 1.903 1.00 43.12 C ATOM 703 CD GLU A 43 10.335 -8.462 2.267 1.00 50.31 C ATOM 704 OE1 GLU A 43 10.663 -7.268 2.111 1.00 41.13 O ATOM 705 OE2 GLU A 43 11.135 -9.320 2.705 1.00 33.40 O ATOM 0 H GLU A 43 7.050 -10.641 3.377 1.00 14.11 H new ATOM 0 HA GLU A 43 9.025 -9.025 4.637 1.00 65.44 H new ATOM 0 HB2 GLU A 43 6.870 -8.545 2.531 1.00 74.45 H new ATOM 0 HB3 GLU A 43 7.982 -7.283 3.023 1.00 74.45 H new ATOM 0 HG2 GLU A 43 8.843 -9.961 1.843 1.00 43.12 H new ATOM 0 HG3 GLU A 43 8.655 -8.487 0.915 1.00 43.12 H new ATOM 712 N ILE A 44 5.997 -8.570 5.709 1.00 42.44 N ATOM 713 CA ILE A 44 5.187 -7.986 6.791 1.00 64.12 C ATOM 714 C ILE A 44 5.906 -8.200 8.146 1.00 53.13 C ATOM 715 O ILE A 44 6.088 -7.257 8.920 1.00 41.05 O ATOM 716 CB ILE A 44 3.742 -8.628 6.812 1.00 0.00 C ATOM 717 CG1 ILE A 44 2.953 -8.243 5.516 1.00 33.53 C ATOM 718 CG2 ILE A 44 2.948 -8.230 8.078 1.00 12.33 C ATOM 719 CD1 ILE A 44 1.606 -8.919 5.384 1.00 54.24 C ATOM 0 H ILE A 44 5.523 -9.326 5.215 1.00 42.44 H new ATOM 0 HA ILE A 44 5.073 -6.916 6.617 1.00 64.12 H new ATOM 0 HB ILE A 44 3.865 -9.711 6.839 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.808 -7.163 5.501 1.00 33.53 H new ATOM 0 HG13 ILE A 44 3.560 -8.495 4.647 1.00 33.53 H new ATOM 0 HG21 ILE A 44 1.962 -8.694 8.050 1.00 12.33 H new ATOM 0 HG22 ILE A 44 3.483 -8.569 8.965 1.00 12.33 H new ATOM 0 HG23 ILE A 44 2.838 -7.146 8.113 1.00 12.33 H new ATOM 0 HD11 ILE A 44 1.126 -8.597 4.460 1.00 54.24 H new ATOM 0 HD12 ILE A 44 1.742 -10.000 5.365 1.00 54.24 H new ATOM 0 HD13 ILE A 44 0.978 -8.647 6.232 1.00 54.24 H new ATOM 731 N GLU A 45 6.362 -9.455 8.355 1.00 12.41 N ATOM 732 CA GLU A 45 7.117 -9.889 9.549 1.00 23.00 C ATOM 733 C GLU A 45 8.400 -9.063 9.720 1.00 34.24 C ATOM 734 O GLU A 45 8.757 -8.663 10.839 1.00 60.13 O ATOM 735 CB GLU A 45 7.463 -11.405 9.421 1.00 1.24 C ATOM 736 CG GLU A 45 8.296 -11.970 10.584 1.00 63.24 C ATOM 737 CD GLU A 45 8.597 -13.468 10.435 1.00 70.32 C ATOM 738 OE1 GLU A 45 9.460 -13.822 9.592 1.00 54.05 O ATOM 739 OE2 GLU A 45 7.985 -14.288 11.168 1.00 24.30 O ATOM 0 H GLU A 45 6.212 -10.209 7.684 1.00 12.41 H new ATOM 0 HA GLU A 45 6.497 -9.730 10.432 1.00 23.00 H new ATOM 0 HB2 GLU A 45 6.535 -11.971 9.347 1.00 1.24 H new ATOM 0 HB3 GLU A 45 8.008 -11.563 8.490 1.00 1.24 H new ATOM 0 HG2 GLU A 45 9.235 -11.421 10.651 1.00 63.24 H new ATOM 0 HG3 GLU A 45 7.763 -11.804 11.520 1.00 63.24 H new ATOM 746 N LYS A 46 9.062 -8.789 8.585 1.00 53.33 N ATOM 747 CA LYS A 46 10.338 -8.058 8.569 1.00 11.12 C ATOM 748 C LYS A 46 10.116 -6.610 9.038 1.00 5.43 C ATOM 749 O LYS A 46 10.854 -6.105 9.885 1.00 22.12 O ATOM 750 CB LYS A 46 10.989 -8.096 7.151 1.00 3.25 C ATOM 751 CG LYS A 46 11.020 -9.493 6.475 1.00 73.34 C ATOM 752 CD LYS A 46 11.474 -10.644 7.407 1.00 0.44 C ATOM 753 CE LYS A 46 11.417 -12.016 6.715 1.00 71.40 C ATOM 754 NZ LYS A 46 11.780 -13.115 7.654 1.00 10.31 N ATOM 0 H LYS A 46 8.731 -9.065 7.660 1.00 53.33 H new ATOM 0 HA LYS A 46 11.029 -8.546 9.257 1.00 11.12 H new ATOM 0 HB2 LYS A 46 10.448 -7.408 6.502 1.00 3.25 H new ATOM 0 HB3 LYS A 46 12.011 -7.725 7.228 1.00 3.25 H new ATOM 0 HG2 LYS A 46 10.025 -9.721 6.094 1.00 73.34 H new ATOM 0 HG3 LYS A 46 11.689 -9.453 5.615 1.00 73.34 H new ATOM 0 HD2 LYS A 46 12.492 -10.453 7.746 1.00 0.44 H new ATOM 0 HD3 LYS A 46 10.841 -10.661 8.294 1.00 0.44 H new ATOM 0 HE2 LYS A 46 10.414 -12.186 6.324 1.00 71.40 H new ATOM 0 HE3 LYS A 46 12.097 -12.024 5.863 1.00 71.40 H new ATOM 0 HZ1 LYS A 46 12.029 -13.967 7.112 1.00 10.31 H new ATOM 0 HZ2 LYS A 46 12.593 -12.823 8.233 1.00 10.31 H new ATOM 0 HZ3 LYS A 46 10.971 -13.324 8.274 1.00 10.31 H new ATOM 768 N ALA A 47 9.035 -5.992 8.527 1.00 11.14 N ATOM 769 CA ALA A 47 8.631 -4.614 8.873 1.00 4.02 C ATOM 770 C ALA A 47 8.298 -4.479 10.373 1.00 45.24 C ATOM 771 O ALA A 47 8.624 -3.462 10.998 1.00 24.55 O ATOM 772 CB ALA A 47 7.432 -4.200 8.009 1.00 73.42 C ATOM 0 H ALA A 47 8.410 -6.439 7.856 1.00 11.14 H new ATOM 0 HA ALA A 47 9.469 -3.947 8.670 1.00 4.02 H new ATOM 0 HB1 ALA A 47 7.134 -3.183 8.264 1.00 73.42 H new ATOM 0 HB2 ALA A 47 7.710 -4.243 6.956 1.00 73.42 H new ATOM 0 HB3 ALA A 47 6.600 -4.879 8.192 1.00 73.42 H new ATOM 778 N ARG A 48 7.656 -5.522 10.938 1.00 24.05 N ATOM 779 CA ARG A 48 7.338 -5.584 12.377 1.00 60.44 C ATOM 780 C ARG A 48 8.624 -5.577 13.220 1.00 61.03 C ATOM 781 O ARG A 48 8.787 -4.751 14.119 1.00 14.02 O ATOM 782 CB ARG A 48 6.531 -6.863 12.708 1.00 74.40 C ATOM 783 CG ARG A 48 5.207 -7.011 11.943 1.00 22.33 C ATOM 784 CD ARG A 48 4.415 -8.268 12.347 1.00 2.43 C ATOM 785 NE ARG A 48 3.959 -8.230 13.748 1.00 41.52 N ATOM 786 CZ ARG A 48 3.543 -9.293 14.467 1.00 23.11 C ATOM 787 NH1 ARG A 48 3.505 -10.520 13.936 1.00 32.54 N ATOM 788 NH2 ARG A 48 3.157 -9.109 15.724 1.00 51.13 N ATOM 0 H ARG A 48 7.346 -6.339 10.413 1.00 24.05 H new ATOM 0 HA ARG A 48 6.740 -4.705 12.618 1.00 60.44 H new ATOM 0 HB2 ARG A 48 7.154 -7.732 12.498 1.00 74.40 H new ATOM 0 HB3 ARG A 48 6.319 -6.874 13.777 1.00 74.40 H new ATOM 0 HG2 ARG A 48 4.592 -6.129 12.119 1.00 22.33 H new ATOM 0 HG3 ARG A 48 5.414 -7.047 10.873 1.00 22.33 H new ATOM 0 HD2 ARG A 48 3.551 -8.374 11.691 1.00 2.43 H new ATOM 0 HD3 ARG A 48 5.039 -9.149 12.197 1.00 2.43 H new ATOM 0 HE ARG A 48 3.958 -7.323 14.214 1.00 41.52 H new ATOM 0 HH11 ARG A 48 3.794 -10.666 12.969 1.00 32.54 H new ATOM 0 HH12 ARG A 48 3.187 -11.309 14.498 1.00 32.54 H new ATOM 0 HH21 ARG A 48 3.178 -8.175 16.132 1.00 51.13 H new ATOM 0 HH22 ARG A 48 2.840 -9.902 16.281 1.00 51.13 H new ATOM 802 N LYS A 49 9.548 -6.478 12.867 1.00 5.43 N ATOM 803 CA LYS A 49 10.783 -6.714 13.639 1.00 4.10 C ATOM 804 C LYS A 49 11.705 -5.463 13.577 1.00 44.41 C ATOM 805 O LYS A 49 12.403 -5.144 14.540 1.00 43.22 O ATOM 806 CB LYS A 49 11.477 -8.013 13.089 1.00 13.24 C ATOM 807 CG LYS A 49 12.387 -8.777 14.092 1.00 53.12 C ATOM 808 CD LYS A 49 13.755 -8.118 14.348 1.00 35.05 C ATOM 809 CE LYS A 49 14.667 -8.116 13.111 1.00 24.00 C ATOM 810 NZ LYS A 49 16.020 -7.574 13.433 1.00 12.41 N ATOM 0 H LYS A 49 9.465 -7.067 12.038 1.00 5.43 H new ATOM 0 HA LYS A 49 10.555 -6.873 14.693 1.00 4.10 H new ATOM 0 HB2 LYS A 49 10.702 -8.695 12.740 1.00 13.24 H new ATOM 0 HB3 LYS A 49 12.076 -7.741 12.220 1.00 13.24 H new ATOM 0 HG2 LYS A 49 11.860 -8.870 15.042 1.00 53.12 H new ATOM 0 HG3 LYS A 49 12.550 -9.788 13.717 1.00 53.12 H new ATOM 0 HD2 LYS A 49 13.600 -7.091 14.679 1.00 35.05 H new ATOM 0 HD3 LYS A 49 14.257 -8.642 15.161 1.00 35.05 H new ATOM 0 HE2 LYS A 49 14.762 -9.131 12.726 1.00 24.00 H new ATOM 0 HE3 LYS A 49 14.212 -7.517 12.322 1.00 24.00 H new ATOM 0 HZ1 LYS A 49 16.611 -7.586 12.578 1.00 12.41 H new ATOM 0 HZ2 LYS A 49 15.930 -6.597 13.778 1.00 12.41 H new ATOM 0 HZ3 LYS A 49 16.463 -8.161 14.168 1.00 12.41 H new ATOM 824 N GLN A 50 11.665 -4.753 12.429 1.00 72.41 N ATOM 825 CA GLN A 50 12.434 -3.499 12.206 1.00 4.24 C ATOM 826 C GLN A 50 11.693 -2.267 12.783 1.00 22.40 C ATOM 827 O GLN A 50 12.309 -1.208 12.969 1.00 22.13 O ATOM 828 CB GLN A 50 12.701 -3.321 10.680 1.00 4.40 C ATOM 829 CG GLN A 50 13.547 -4.453 10.048 1.00 51.43 C ATOM 830 CD GLN A 50 15.031 -4.424 10.421 1.00 73.23 C ATOM 831 OE1 GLN A 50 15.846 -3.814 9.732 1.00 52.52 O ATOM 832 NE2 GLN A 50 15.388 -5.062 11.523 1.00 12.53 N ATOM 0 H GLN A 50 11.099 -5.030 11.627 1.00 72.41 H new ATOM 0 HA GLN A 50 13.385 -3.576 12.733 1.00 4.24 H new ATOM 0 HB2 GLN A 50 11.745 -3.263 10.160 1.00 4.40 H new ATOM 0 HB3 GLN A 50 13.209 -2.370 10.520 1.00 4.40 H new ATOM 0 HG2 GLN A 50 13.129 -5.413 10.350 1.00 51.43 H new ATOM 0 HG3 GLN A 50 13.457 -4.393 8.963 1.00 51.43 H new ATOM 0 HE21 GLN A 50 14.688 -5.559 12.074 1.00 12.53 H new ATOM 0 HE22 GLN A 50 16.363 -5.057 11.822 1.00 12.53 H new ATOM 841 N GLY A 51 10.380 -2.419 13.068 1.00 33.42 N ATOM 842 CA GLY A 51 9.551 -1.337 13.640 1.00 65.23 C ATOM 843 C GLY A 51 9.256 -0.209 12.652 1.00 24.11 C ATOM 844 O GLY A 51 8.922 0.914 13.059 1.00 21.12 O ATOM 0 H GLY A 51 9.870 -3.288 12.909 1.00 33.42 H new ATOM 0 HA2 GLY A 51 8.609 -1.758 13.990 1.00 65.23 H new ATOM 0 HA3 GLY A 51 10.059 -0.923 14.511 1.00 65.23 H new ATOM 848 N ARG A 52 9.347 -0.530 11.355 1.00 12.42 N ATOM 849 CA ARG A 52 9.222 0.441 10.243 1.00 42.31 C ATOM 850 C ARG A 52 8.113 0.001 9.267 1.00 55.41 C ATOM 851 O ARG A 52 7.681 -1.154 9.319 1.00 3.43 O ATOM 852 CB ARG A 52 10.587 0.569 9.506 1.00 3.01 C ATOM 853 CG ARG A 52 11.697 1.221 10.355 1.00 70.45 C ATOM 854 CD ARG A 52 12.952 1.570 9.542 1.00 1.24 C ATOM 855 NE ARG A 52 13.977 2.225 10.374 1.00 44.13 N ATOM 856 CZ ARG A 52 14.480 3.462 10.191 1.00 71.44 C ATOM 857 NH1 ARG A 52 14.062 4.237 9.185 1.00 61.50 N ATOM 858 NH2 ARG A 52 15.405 3.910 11.033 1.00 51.23 N ATOM 0 H ARG A 52 9.512 -1.485 11.036 1.00 12.42 H new ATOM 0 HA ARG A 52 8.948 1.415 10.647 1.00 42.31 H new ATOM 0 HB2 ARG A 52 10.916 -0.423 9.196 1.00 3.01 H new ATOM 0 HB3 ARG A 52 10.445 1.156 8.599 1.00 3.01 H new ATOM 0 HG2 ARG A 52 11.307 2.128 10.817 1.00 70.45 H new ATOM 0 HG3 ARG A 52 11.972 0.544 11.164 1.00 70.45 H new ATOM 0 HD2 ARG A 52 13.365 0.662 9.103 1.00 1.24 H new ATOM 0 HD3 ARG A 52 12.679 2.227 8.716 1.00 1.24 H new ATOM 0 HE ARG A 52 14.340 1.691 11.164 1.00 44.13 H new ATOM 0 HH11 ARG A 52 13.350 3.895 8.539 1.00 61.50 H new ATOM 0 HH12 ARG A 52 14.455 5.170 9.063 1.00 61.50 H new ATOM 0 HH21 ARG A 52 15.723 3.320 11.802 1.00 51.23 H new ATOM 0 HH22 ARG A 52 15.797 4.844 10.910 1.00 51.23 H new ATOM 872 N PRO A 53 7.610 0.909 8.368 1.00 73.35 N ATOM 873 CA PRO A 53 6.593 0.527 7.374 1.00 12.42 C ATOM 874 C PRO A 53 7.146 -0.357 6.230 1.00 41.34 C ATOM 875 O PRO A 53 8.366 -0.497 6.036 1.00 23.00 O ATOM 876 CB PRO A 53 6.094 1.886 6.836 1.00 24.40 C ATOM 877 CG PRO A 53 7.273 2.793 6.980 1.00 4.45 C ATOM 878 CD PRO A 53 7.939 2.372 8.274 1.00 0.43 C ATOM 0 HA PRO A 53 5.810 -0.087 7.819 1.00 12.42 H new ATOM 0 HB2 PRO A 53 5.775 1.810 5.797 1.00 24.40 H new ATOM 0 HB3 PRO A 53 5.239 2.250 7.406 1.00 24.40 H new ATOM 0 HG2 PRO A 53 7.954 2.692 6.135 1.00 4.45 H new ATOM 0 HG3 PRO A 53 6.964 3.838 7.017 1.00 4.45 H new ATOM 0 HD2 PRO A 53 9.015 2.542 8.247 1.00 0.43 H new ATOM 0 HD3 PRO A 53 7.550 2.928 9.127 1.00 0.43 H new ATOM 886 N ILE A 54 6.208 -0.942 5.488 1.00 75.43 N ATOM 887 CA ILE A 54 6.464 -1.684 4.254 1.00 3.13 C ATOM 888 C ILE A 54 5.470 -1.166 3.207 1.00 1.01 C ATOM 889 O ILE A 54 4.265 -1.185 3.443 1.00 40.10 O ATOM 890 CB ILE A 54 6.305 -3.248 4.460 1.00 12.33 C ATOM 891 CG1 ILE A 54 6.318 -4.009 3.089 1.00 21.12 C ATOM 892 CG2 ILE A 54 5.045 -3.593 5.288 1.00 42.00 C ATOM 893 CD1 ILE A 54 5.920 -5.474 3.159 1.00 21.23 C ATOM 0 H ILE A 54 5.219 -0.912 5.736 1.00 75.43 H new ATOM 0 HA ILE A 54 7.493 -1.527 3.930 1.00 3.13 H new ATOM 0 HB ILE A 54 7.168 -3.588 5.033 1.00 12.33 H new ATOM 0 HG12 ILE A 54 5.644 -3.498 2.402 1.00 21.12 H new ATOM 0 HG13 ILE A 54 7.319 -3.941 2.663 1.00 21.12 H new ATOM 0 HG21 ILE A 54 4.972 -4.674 5.407 1.00 42.00 H new ATOM 0 HG22 ILE A 54 5.115 -3.124 6.270 1.00 42.00 H new ATOM 0 HG23 ILE A 54 4.158 -3.224 4.772 1.00 42.00 H new ATOM 0 HD11 ILE A 54 5.961 -5.910 2.161 1.00 21.23 H new ATOM 0 HD12 ILE A 54 6.607 -6.007 3.816 1.00 21.23 H new ATOM 0 HD13 ILE A 54 4.906 -5.557 3.550 1.00 21.23 H new ATOM 905 N VAL A 55 5.971 -0.655 2.073 1.00 2.43 N ATOM 906 CA VAL A 55 5.107 -0.187 0.983 1.00 53.44 C ATOM 907 C VAL A 55 5.040 -1.265 -0.096 1.00 40.53 C ATOM 908 O VAL A 55 5.994 -1.481 -0.842 1.00 54.23 O ATOM 909 CB VAL A 55 5.608 1.165 0.365 1.00 0.12 C ATOM 910 CG1 VAL A 55 4.583 1.704 -0.647 1.00 50.34 C ATOM 911 CG2 VAL A 55 5.891 2.198 1.469 1.00 30.14 C ATOM 0 H VAL A 55 6.969 -0.556 1.888 1.00 2.43 H new ATOM 0 HA VAL A 55 4.115 0.000 1.394 1.00 53.44 H new ATOM 0 HB VAL A 55 6.543 0.978 -0.164 1.00 0.12 H new ATOM 0 HG11 VAL A 55 4.945 2.642 -1.067 1.00 50.34 H new ATOM 0 HG12 VAL A 55 4.445 0.977 -1.448 1.00 50.34 H new ATOM 0 HG13 VAL A 55 3.631 1.875 -0.145 1.00 50.34 H new ATOM 0 HG21 VAL A 55 6.237 3.128 1.017 1.00 30.14 H new ATOM 0 HG22 VAL A 55 4.978 2.387 2.033 1.00 30.14 H new ATOM 0 HG23 VAL A 55 6.659 1.813 2.140 1.00 30.14 H new ATOM 921 N VAL A 56 3.902 -1.940 -0.137 1.00 13.45 N ATOM 922 CA VAL A 56 3.594 -2.991 -1.107 1.00 51.43 C ATOM 923 C VAL A 56 2.923 -2.360 -2.325 1.00 52.43 C ATOM 924 O VAL A 56 2.132 -1.435 -2.175 1.00 41.12 O ATOM 925 CB VAL A 56 2.643 -4.070 -0.472 1.00 11.04 C ATOM 926 CG1 VAL A 56 2.401 -5.270 -1.419 1.00 14.31 C ATOM 927 CG2 VAL A 56 3.209 -4.533 0.880 1.00 35.24 C ATOM 0 H VAL A 56 3.142 -1.770 0.521 1.00 13.45 H new ATOM 0 HA VAL A 56 4.519 -3.485 -1.406 1.00 51.43 H new ATOM 0 HB VAL A 56 1.670 -3.605 -0.310 1.00 11.04 H new ATOM 0 HG11 VAL A 56 1.738 -5.987 -0.935 1.00 14.31 H new ATOM 0 HG12 VAL A 56 1.942 -4.918 -2.343 1.00 14.31 H new ATOM 0 HG13 VAL A 56 3.352 -5.751 -1.647 1.00 14.31 H new ATOM 0 HG21 VAL A 56 2.546 -5.281 1.315 1.00 35.24 H new ATOM 0 HG22 VAL A 56 4.197 -4.968 0.731 1.00 35.24 H new ATOM 0 HG23 VAL A 56 3.286 -3.680 1.554 1.00 35.24 H new ATOM 937 N PHE A 57 3.292 -2.817 -3.522 1.00 74.42 N ATOM 938 CA PHE A 57 2.705 -2.359 -4.780 1.00 61.45 C ATOM 939 C PHE A 57 1.952 -3.527 -5.405 1.00 54.34 C ATOM 940 O PHE A 57 2.559 -4.512 -5.831 1.00 2.24 O ATOM 941 CB PHE A 57 3.827 -1.818 -5.695 1.00 22.33 C ATOM 942 CG PHE A 57 4.580 -0.655 -5.051 1.00 42.10 C ATOM 943 CD1 PHE A 57 4.008 0.619 -5.005 1.00 34.31 C ATOM 944 CD2 PHE A 57 5.828 -0.838 -4.451 1.00 53.03 C ATOM 945 CE1 PHE A 57 4.656 1.667 -4.389 1.00 30.55 C ATOM 946 CE2 PHE A 57 6.478 0.215 -3.839 1.00 41.21 C ATOM 947 CZ PHE A 57 5.888 1.467 -3.807 1.00 41.21 C ATOM 0 H PHE A 57 4.016 -3.525 -3.646 1.00 74.42 H new ATOM 0 HA PHE A 57 1.998 -1.544 -4.622 1.00 61.45 H new ATOM 0 HB2 PHE A 57 4.527 -2.621 -5.923 1.00 22.33 H new ATOM 0 HB3 PHE A 57 3.397 -1.491 -6.642 1.00 22.33 H new ATOM 0 HD1 PHE A 57 3.042 0.785 -5.460 1.00 34.31 H new ATOM 0 HD2 PHE A 57 6.290 -1.814 -4.466 1.00 53.03 H new ATOM 0 HE1 PHE A 57 4.198 2.645 -4.362 1.00 30.55 H new ATOM 0 HE2 PHE A 57 7.446 0.062 -3.385 1.00 41.21 H new ATOM 0 HZ PHE A 57 6.395 2.289 -3.324 1.00 41.21 H new ATOM 957 N VAL A 58 0.629 -3.429 -5.376 1.00 72.32 N ATOM 958 CA VAL A 58 -0.299 -4.425 -5.926 1.00 52.31 C ATOM 959 C VAL A 58 -0.848 -3.907 -7.270 1.00 20.42 C ATOM 960 O VAL A 58 -1.058 -2.702 -7.431 1.00 62.14 O ATOM 961 CB VAL A 58 -1.455 -4.716 -4.882 1.00 5.51 C ATOM 962 CG1 VAL A 58 -2.537 -5.652 -5.453 1.00 65.13 C ATOM 963 CG2 VAL A 58 -0.872 -5.300 -3.573 1.00 13.43 C ATOM 0 H VAL A 58 0.151 -2.631 -4.957 1.00 72.32 H new ATOM 0 HA VAL A 58 0.216 -5.368 -6.109 1.00 52.31 H new ATOM 0 HB VAL A 58 -1.936 -3.762 -4.664 1.00 5.51 H new ATOM 0 HG11 VAL A 58 -3.307 -5.821 -4.700 1.00 65.13 H new ATOM 0 HG12 VAL A 58 -2.986 -5.194 -6.334 1.00 65.13 H new ATOM 0 HG13 VAL A 58 -2.085 -6.605 -5.730 1.00 65.13 H new ATOM 0 HG21 VAL A 58 -1.681 -5.493 -2.869 1.00 13.43 H new ATOM 0 HG22 VAL A 58 -0.350 -6.232 -3.791 1.00 13.43 H new ATOM 0 HG23 VAL A 58 -0.173 -4.587 -3.136 1.00 13.43 H new ATOM 973 N ARG A 59 -1.050 -4.815 -8.243 1.00 73.50 N ATOM 974 CA ARG A 59 -1.551 -4.461 -9.580 1.00 21.43 C ATOM 975 C ARG A 59 -3.079 -4.266 -9.508 1.00 14.51 C ATOM 976 O ARG A 59 -3.756 -4.987 -8.764 1.00 2.31 O ATOM 977 CB ARG A 59 -1.164 -5.577 -10.599 1.00 73.53 C ATOM 978 CG ARG A 59 -1.474 -5.247 -12.070 1.00 34.53 C ATOM 979 CD ARG A 59 -1.039 -6.361 -13.043 1.00 40.24 C ATOM 980 NE ARG A 59 0.425 -6.554 -13.064 1.00 54.43 N ATOM 981 CZ ARG A 59 1.070 -7.627 -13.564 1.00 74.14 C ATOM 982 NH1 ARG A 59 0.409 -8.651 -14.102 1.00 2.54 N ATOM 983 NH2 ARG A 59 2.395 -7.653 -13.537 1.00 54.54 N ATOM 0 H ARG A 59 -0.870 -5.812 -8.123 1.00 73.50 H new ATOM 0 HA ARG A 59 -1.099 -3.529 -9.920 1.00 21.43 H new ATOM 0 HB2 ARG A 59 -0.097 -5.781 -10.505 1.00 73.53 H new ATOM 0 HB3 ARG A 59 -1.689 -6.493 -10.329 1.00 73.53 H new ATOM 0 HG2 ARG A 59 -2.545 -5.074 -12.180 1.00 34.53 H new ATOM 0 HG3 ARG A 59 -0.972 -4.319 -12.342 1.00 34.53 H new ATOM 0 HD2 ARG A 59 -1.521 -7.296 -12.759 1.00 40.24 H new ATOM 0 HD3 ARG A 59 -1.384 -6.117 -14.048 1.00 40.24 H new ATOM 0 HE ARG A 59 0.998 -5.810 -12.665 1.00 54.43 H new ATOM 0 HH11 ARG A 59 -0.610 -8.635 -14.143 1.00 2.54 H new ATOM 0 HH12 ARG A 59 0.922 -9.451 -14.473 1.00 2.54 H new ATOM 0 HH21 ARG A 59 2.913 -6.868 -13.142 1.00 54.54 H new ATOM 0 HH22 ARG A 59 2.897 -8.458 -13.912 1.00 54.54 H new ATOM 997 N GLY A 60 -3.596 -3.280 -10.268 1.00 54.44 N ATOM 998 CA GLY A 60 -5.028 -2.974 -10.330 1.00 23.42 C ATOM 999 C GLY A 60 -5.820 -4.111 -10.974 1.00 53.04 C ATOM 1000 O GLY A 60 -5.921 -4.179 -12.202 1.00 21.44 O ATOM 0 H GLY A 60 -3.024 -2.674 -10.857 1.00 54.44 H new ATOM 0 HA2 GLY A 60 -5.405 -2.792 -9.324 1.00 23.42 H new ATOM 0 HA3 GLY A 60 -5.180 -2.057 -10.899 1.00 23.42 H new ATOM 1004 N GLY A 61 -6.328 -5.012 -10.125 1.00 30.13 N ATOM 1005 CA GLY A 61 -7.035 -6.228 -10.541 1.00 64.31 C ATOM 1006 C GLY A 61 -6.852 -7.328 -9.507 1.00 51.13 C ATOM 1007 O GLY A 61 -7.743 -8.170 -9.301 1.00 24.34 O ATOM 0 H GLY A 61 -6.258 -4.914 -9.112 1.00 30.13 H new ATOM 0 HA2 GLY A 61 -8.096 -6.014 -10.669 1.00 64.31 H new ATOM 0 HA3 GLY A 61 -6.658 -6.563 -11.508 1.00 64.31 H new ATOM 1011 N ASP A 62 -5.690 -7.301 -8.834 1.00 1.42 N ATOM 1012 CA ASP A 62 -5.343 -8.196 -7.713 1.00 12.15 C ATOM 1013 C ASP A 62 -5.963 -7.673 -6.391 1.00 14.12 C ATOM 1014 O ASP A 62 -5.270 -7.465 -5.389 1.00 20.42 O ATOM 1015 CB ASP A 62 -3.793 -8.295 -7.605 1.00 52.40 C ATOM 1016 CG ASP A 62 -3.130 -9.028 -8.785 1.00 40.41 C ATOM 1017 OD1 ASP A 62 -3.180 -8.497 -9.914 1.00 51.42 O ATOM 1018 OD2 ASP A 62 -2.566 -10.133 -8.585 1.00 12.14 O ATOM 0 H ASP A 62 -4.946 -6.640 -9.058 1.00 1.42 H new ATOM 0 HA ASP A 62 -5.750 -9.190 -7.896 1.00 12.15 H new ATOM 0 HB2 ASP A 62 -3.379 -7.289 -7.536 1.00 52.40 H new ATOM 0 HB3 ASP A 62 -3.535 -8.810 -6.679 1.00 52.40 H new ATOM 1023 N ASP A 63 -7.290 -7.480 -6.406 1.00 0.50 N ATOM 1024 CA ASP A 63 -8.058 -6.930 -5.275 1.00 45.45 C ATOM 1025 C ASP A 63 -8.023 -7.871 -4.048 1.00 11.42 C ATOM 1026 O ASP A 63 -8.027 -7.408 -2.896 1.00 34.15 O ATOM 1027 CB ASP A 63 -9.509 -6.680 -5.736 1.00 52.43 C ATOM 1028 CG ASP A 63 -10.374 -5.985 -4.676 1.00 72.43 C ATOM 1029 OD1 ASP A 63 -10.362 -4.733 -4.615 1.00 14.14 O ATOM 1030 OD2 ASP A 63 -11.074 -6.678 -3.898 1.00 61.12 O ATOM 0 H ASP A 63 -7.870 -7.704 -7.215 1.00 0.50 H new ATOM 0 HA ASP A 63 -7.603 -5.990 -4.962 1.00 45.45 H new ATOM 0 HB2 ASP A 63 -9.495 -6.071 -6.640 1.00 52.43 H new ATOM 0 HB3 ASP A 63 -9.968 -7.633 -6.001 1.00 52.43 H new ATOM 1035 N GLU A 64 -7.981 -9.194 -4.319 1.00 51.05 N ATOM 1036 CA GLU A 64 -7.829 -10.224 -3.272 1.00 73.32 C ATOM 1037 C GLU A 64 -6.480 -10.091 -2.546 1.00 72.02 C ATOM 1038 O GLU A 64 -6.396 -10.335 -1.354 1.00 42.23 O ATOM 1039 CB GLU A 64 -8.000 -11.650 -3.845 1.00 51.32 C ATOM 1040 CG GLU A 64 -9.434 -11.973 -4.301 1.00 41.24 C ATOM 1041 CD GLU A 64 -9.614 -13.450 -4.659 1.00 34.55 C ATOM 1042 OE1 GLU A 64 -9.864 -14.266 -3.747 1.00 53.13 O ATOM 1043 OE2 GLU A 64 -9.477 -13.814 -5.844 1.00 3.11 O ATOM 0 H GLU A 64 -8.051 -9.574 -5.263 1.00 51.05 H new ATOM 0 HA GLU A 64 -8.624 -10.059 -2.545 1.00 73.32 H new ATOM 0 HB2 GLU A 64 -7.324 -11.774 -4.691 1.00 51.32 H new ATOM 0 HB3 GLU A 64 -7.699 -12.374 -3.087 1.00 51.32 H new ATOM 0 HG2 GLU A 64 -10.133 -11.706 -3.508 1.00 41.24 H new ATOM 0 HG3 GLU A 64 -9.684 -11.359 -5.166 1.00 41.24 H new ATOM 1050 N ARG A 65 -5.437 -9.670 -3.269 1.00 25.23 N ATOM 1051 CA ARG A 65 -4.091 -9.465 -2.684 1.00 70.34 C ATOM 1052 C ARG A 65 -4.142 -8.310 -1.669 1.00 34.44 C ATOM 1053 O ARG A 65 -3.520 -8.383 -0.618 1.00 44.13 O ATOM 1054 CB ARG A 65 -3.020 -9.208 -3.789 1.00 45.31 C ATOM 1055 CG ARG A 65 -2.575 -10.462 -4.592 1.00 61.33 C ATOM 1056 CD ARG A 65 -3.721 -11.222 -5.292 1.00 32.55 C ATOM 1057 NE ARG A 65 -3.210 -12.261 -6.207 1.00 43.35 N ATOM 1058 CZ ARG A 65 -3.443 -13.581 -6.099 1.00 61.41 C ATOM 1059 NH1 ARG A 65 -4.190 -14.071 -5.115 1.00 13.34 N ATOM 1060 NH2 ARG A 65 -2.919 -14.411 -6.981 1.00 31.25 N ATOM 0 H ARG A 65 -5.491 -9.461 -4.266 1.00 25.23 H new ATOM 0 HA ARG A 65 -3.792 -10.376 -2.165 1.00 70.34 H new ATOM 0 HB2 ARG A 65 -3.414 -8.471 -4.489 1.00 45.31 H new ATOM 0 HB3 ARG A 65 -2.140 -8.766 -3.322 1.00 45.31 H new ATOM 0 HG2 ARG A 65 -1.848 -10.155 -5.344 1.00 61.33 H new ATOM 0 HG3 ARG A 65 -2.064 -11.147 -3.915 1.00 61.33 H new ATOM 0 HD2 ARG A 65 -4.364 -11.682 -4.542 1.00 32.55 H new ATOM 0 HD3 ARG A 65 -4.337 -10.517 -5.850 1.00 32.55 H new ATOM 0 HE ARG A 65 -2.631 -11.952 -6.988 1.00 43.35 H new ATOM 0 HH11 ARG A 65 -4.599 -13.442 -4.424 1.00 13.34 H new ATOM 0 HH12 ARG A 65 -4.354 -15.076 -5.051 1.00 13.34 H new ATOM 0 HH21 ARG A 65 -2.341 -14.050 -7.740 1.00 31.25 H new ATOM 0 HH22 ARG A 65 -3.092 -15.413 -6.904 1.00 31.25 H new ATOM 1074 N ALA A 66 -4.940 -7.272 -1.978 1.00 34.24 N ATOM 1075 CA ALA A 66 -5.146 -6.132 -1.061 1.00 71.14 C ATOM 1076 C ALA A 66 -5.775 -6.583 0.266 1.00 20.10 C ATOM 1077 O ALA A 66 -5.207 -6.352 1.322 1.00 22.21 O ATOM 1078 CB ALA A 66 -6.011 -5.048 -1.720 1.00 3.33 C ATOM 0 H ALA A 66 -5.454 -7.198 -2.856 1.00 34.24 H new ATOM 0 HA ALA A 66 -4.165 -5.709 -0.842 1.00 71.14 H new ATOM 0 HB1 ALA A 66 -6.148 -4.220 -1.025 1.00 3.33 H new ATOM 0 HB2 ALA A 66 -5.517 -4.687 -2.622 1.00 3.33 H new ATOM 0 HB3 ALA A 66 -6.983 -5.467 -1.981 1.00 3.33 H new ATOM 1084 N LYS A 67 -6.911 -7.290 0.190 1.00 22.40 N ATOM 1085 CA LYS A 67 -7.700 -7.673 1.384 1.00 21.52 C ATOM 1086 C LYS A 67 -7.025 -8.784 2.220 1.00 35.14 C ATOM 1087 O LYS A 67 -7.166 -8.792 3.439 1.00 13.53 O ATOM 1088 CB LYS A 67 -9.138 -8.108 0.976 1.00 73.53 C ATOM 1089 CG LYS A 67 -9.199 -9.226 -0.110 1.00 22.43 C ATOM 1090 CD LYS A 67 -10.244 -10.341 0.152 1.00 40.33 C ATOM 1091 CE LYS A 67 -9.935 -11.181 1.402 1.00 4.14 C ATOM 1092 NZ LYS A 67 -10.839 -12.361 1.506 1.00 52.42 N ATOM 0 H LYS A 67 -7.312 -7.614 -0.690 1.00 22.40 H new ATOM 0 HA LYS A 67 -7.755 -6.786 2.016 1.00 21.52 H new ATOM 0 HB2 LYS A 67 -9.663 -8.456 1.865 1.00 73.53 H new ATOM 0 HB3 LYS A 67 -9.676 -7.234 0.609 1.00 73.53 H new ATOM 0 HG2 LYS A 67 -9.417 -8.764 -1.073 1.00 22.43 H new ATOM 0 HG3 LYS A 67 -8.214 -9.685 -0.193 1.00 22.43 H new ATOM 0 HD2 LYS A 67 -11.229 -9.888 0.262 1.00 40.33 H new ATOM 0 HD3 LYS A 67 -10.290 -10.998 -0.717 1.00 40.33 H new ATOM 0 HE2 LYS A 67 -8.899 -11.517 1.368 1.00 4.14 H new ATOM 0 HE3 LYS A 67 -10.040 -10.562 2.293 1.00 4.14 H new ATOM 0 HZ1 LYS A 67 -10.603 -12.905 2.360 1.00 52.42 H new ATOM 0 HZ2 LYS A 67 -11.826 -12.038 1.563 1.00 52.42 H new ATOM 0 HZ3 LYS A 67 -10.720 -12.964 0.667 1.00 52.42 H new ATOM 1106 N ASP A 68 -6.315 -9.719 1.556 1.00 41.35 N ATOM 1107 CA ASP A 68 -5.627 -10.847 2.242 1.00 62.04 C ATOM 1108 C ASP A 68 -4.393 -10.360 3.032 1.00 51.40 C ATOM 1109 O ASP A 68 -4.234 -10.711 4.209 1.00 75.11 O ATOM 1110 CB ASP A 68 -5.217 -11.981 1.243 1.00 44.15 C ATOM 1111 CG ASP A 68 -6.379 -12.936 0.869 1.00 62.34 C ATOM 1112 OD1 ASP A 68 -7.219 -12.591 0.021 1.00 12.44 O ATOM 1113 OD2 ASP A 68 -6.436 -14.056 1.420 1.00 44.54 O ATOM 0 H ASP A 68 -6.199 -9.720 0.543 1.00 41.35 H new ATOM 0 HA ASP A 68 -6.346 -11.266 2.947 1.00 62.04 H new ATOM 0 HB2 ASP A 68 -4.826 -11.526 0.333 1.00 44.15 H new ATOM 0 HB3 ASP A 68 -4.407 -12.564 1.682 1.00 44.15 H new ATOM 1118 N ILE A 69 -3.529 -9.561 2.375 1.00 63.34 N ATOM 1119 CA ILE A 69 -2.335 -8.970 3.022 1.00 41.23 C ATOM 1120 C ILE A 69 -2.779 -8.020 4.166 1.00 14.35 C ATOM 1121 O ILE A 69 -2.180 -8.008 5.241 1.00 25.44 O ATOM 1122 CB ILE A 69 -1.449 -8.186 1.976 1.00 61.44 C ATOM 1123 CG1 ILE A 69 -0.924 -9.127 0.836 1.00 54.20 C ATOM 1124 CG2 ILE A 69 -0.268 -7.480 2.666 1.00 22.32 C ATOM 1125 CD1 ILE A 69 -0.269 -8.390 -0.332 1.00 3.31 C ATOM 0 H ILE A 69 -3.634 -9.308 1.393 1.00 63.34 H new ATOM 0 HA ILE A 69 -1.730 -9.778 3.434 1.00 41.23 H new ATOM 0 HB ILE A 69 -2.090 -7.431 1.521 1.00 61.44 H new ATOM 0 HG12 ILE A 69 -0.203 -9.826 1.260 1.00 54.20 H new ATOM 0 HG13 ILE A 69 -1.757 -9.719 0.456 1.00 54.20 H new ATOM 0 HG21 ILE A 69 0.324 -6.949 1.921 1.00 22.32 H new ATOM 0 HG22 ILE A 69 -0.648 -6.770 3.401 1.00 22.32 H new ATOM 0 HG23 ILE A 69 0.357 -8.220 3.165 1.00 22.32 H new ATOM 0 HD11 ILE A 69 0.066 -9.113 -1.076 1.00 3.31 H new ATOM 0 HD12 ILE A 69 -0.992 -7.711 -0.785 1.00 3.31 H new ATOM 0 HD13 ILE A 69 0.586 -7.820 0.031 1.00 3.31 H new ATOM 1137 N ALA A 70 -3.864 -7.264 3.910 1.00 12.50 N ATOM 1138 CA ALA A 70 -4.433 -6.293 4.866 1.00 44.45 C ATOM 1139 C ALA A 70 -5.039 -6.975 6.106 1.00 55.33 C ATOM 1140 O ALA A 70 -4.873 -6.492 7.223 1.00 73.10 O ATOM 1141 CB ALA A 70 -5.508 -5.454 4.172 1.00 54.15 C ATOM 0 H ALA A 70 -4.374 -7.310 3.028 1.00 12.50 H new ATOM 0 HA ALA A 70 -3.615 -5.658 5.206 1.00 44.45 H new ATOM 0 HB1 ALA A 70 -5.925 -4.739 4.881 1.00 54.15 H new ATOM 0 HB2 ALA A 70 -5.065 -4.917 3.333 1.00 54.15 H new ATOM 0 HB3 ALA A 70 -6.300 -6.108 3.807 1.00 54.15 H new ATOM 1147 N GLU A 71 -5.775 -8.079 5.882 1.00 15.41 N ATOM 1148 CA GLU A 71 -6.412 -8.862 6.963 1.00 22.31 C ATOM 1149 C GLU A 71 -5.346 -9.487 7.868 1.00 15.00 C ATOM 1150 O GLU A 71 -5.465 -9.453 9.098 1.00 1.23 O ATOM 1151 CB GLU A 71 -7.323 -9.967 6.358 1.00 44.51 C ATOM 1152 CG GLU A 71 -8.018 -10.871 7.390 1.00 74.34 C ATOM 1153 CD GLU A 71 -8.863 -11.978 6.746 1.00 33.51 C ATOM 1154 OE1 GLU A 71 -8.272 -12.939 6.214 1.00 70.22 O ATOM 1155 OE2 GLU A 71 -10.113 -11.900 6.776 1.00 4.14 O ATOM 0 H GLU A 71 -5.946 -8.455 4.949 1.00 15.41 H new ATOM 0 HA GLU A 71 -7.027 -8.192 7.564 1.00 22.31 H new ATOM 0 HB2 GLU A 71 -8.086 -9.491 5.741 1.00 44.51 H new ATOM 0 HB3 GLU A 71 -6.722 -10.591 5.697 1.00 44.51 H new ATOM 0 HG2 GLU A 71 -7.264 -11.325 8.033 1.00 74.34 H new ATOM 0 HG3 GLU A 71 -8.656 -10.260 8.029 1.00 74.34 H new ATOM 1162 N TYR A 72 -4.296 -10.026 7.226 1.00 14.11 N ATOM 1163 CA TYR A 72 -3.157 -10.639 7.917 1.00 25.51 C ATOM 1164 C TYR A 72 -2.441 -9.578 8.770 1.00 33.54 C ATOM 1165 O TYR A 72 -2.271 -9.762 9.969 1.00 12.33 O ATOM 1166 CB TYR A 72 -2.185 -11.282 6.883 1.00 35.41 C ATOM 1167 CG TYR A 72 -0.972 -12.011 7.496 1.00 53.43 C ATOM 1168 CD1 TYR A 72 -1.091 -13.295 8.041 1.00 4.50 C ATOM 1169 CD2 TYR A 72 0.292 -11.417 7.529 1.00 34.35 C ATOM 1170 CE1 TYR A 72 0.002 -13.945 8.592 1.00 33.54 C ATOM 1171 CE2 TYR A 72 1.386 -12.067 8.076 1.00 62.42 C ATOM 1172 CZ TYR A 72 1.233 -13.329 8.605 1.00 42.24 C ATOM 1173 OH TYR A 72 2.311 -13.984 9.159 1.00 72.43 O ATOM 0 H TYR A 72 -4.216 -10.047 6.209 1.00 14.11 H new ATOM 0 HA TYR A 72 -3.513 -11.430 8.577 1.00 25.51 H new ATOM 0 HB2 TYR A 72 -2.745 -11.990 6.272 1.00 35.41 H new ATOM 0 HB3 TYR A 72 -1.821 -10.502 6.214 1.00 35.41 H new ATOM 0 HD1 TYR A 72 -2.052 -13.788 8.032 1.00 4.50 H new ATOM 0 HD2 TYR A 72 0.419 -10.426 7.118 1.00 34.35 H new ATOM 0 HE1 TYR A 72 -0.112 -14.934 9.011 1.00 33.54 H new ATOM 0 HE2 TYR A 72 2.353 -11.587 8.088 1.00 62.42 H new ATOM 0 HH TYR A 72 2.534 -13.576 10.022 1.00 72.43 H new ATOM 1183 N ALA A 73 -2.107 -8.445 8.141 1.00 40.34 N ATOM 1184 CA ALA A 73 -1.367 -7.338 8.773 1.00 60.51 C ATOM 1185 C ALA A 73 -2.116 -6.744 9.987 1.00 62.35 C ATOM 1186 O ALA A 73 -1.526 -6.556 11.057 1.00 1.03 O ATOM 1187 CB ALA A 73 -1.105 -6.255 7.730 1.00 71.40 C ATOM 0 H ALA A 73 -2.345 -8.266 7.165 1.00 40.34 H new ATOM 0 HA ALA A 73 -0.424 -7.735 9.151 1.00 60.51 H new ATOM 0 HB1 ALA A 73 -0.558 -5.432 8.190 1.00 71.40 H new ATOM 0 HB2 ALA A 73 -0.515 -6.671 6.913 1.00 71.40 H new ATOM 0 HB3 ALA A 73 -2.054 -5.887 7.341 1.00 71.40 H new ATOM 1193 N GLN A 74 -3.425 -6.475 9.811 1.00 1.22 N ATOM 1194 CA GLN A 74 -4.306 -5.953 10.882 1.00 34.02 C ATOM 1195 C GLN A 74 -4.369 -6.954 12.056 1.00 13.13 C ATOM 1196 O GLN A 74 -4.350 -6.567 13.228 1.00 4.52 O ATOM 1197 CB GLN A 74 -5.728 -5.689 10.313 1.00 54.30 C ATOM 1198 CG GLN A 74 -6.713 -5.047 11.301 1.00 23.54 C ATOM 1199 CD GLN A 74 -8.105 -4.853 10.701 1.00 22.42 C ATOM 1200 OE1 GLN A 74 -8.966 -5.727 10.811 1.00 1.05 O ATOM 1201 NE2 GLN A 74 -8.328 -3.722 10.055 1.00 30.44 N ATOM 0 H GLN A 74 -3.905 -6.613 8.921 1.00 1.22 H new ATOM 0 HA GLN A 74 -3.897 -5.013 11.254 1.00 34.02 H new ATOM 0 HB2 GLN A 74 -5.639 -5.043 9.440 1.00 54.30 H new ATOM 0 HB3 GLN A 74 -6.147 -6.635 9.969 1.00 54.30 H new ATOM 0 HG2 GLN A 74 -6.789 -5.672 12.191 1.00 23.54 H new ATOM 0 HG3 GLN A 74 -6.322 -4.082 11.622 1.00 23.54 H new ATOM 0 HE21 GLN A 74 -7.590 -3.021 9.984 1.00 30.44 H new ATOM 0 HE22 GLN A 74 -9.238 -3.550 9.627 1.00 30.44 H new ATOM 1210 N LYS A 75 -4.398 -8.252 11.708 1.00 2.40 N ATOM 1211 CA LYS A 75 -4.446 -9.356 12.684 1.00 11.11 C ATOM 1212 C LYS A 75 -3.066 -9.553 13.369 1.00 72.10 C ATOM 1213 O LYS A 75 -2.992 -10.113 14.462 1.00 1.52 O ATOM 1214 CB LYS A 75 -4.932 -10.646 11.965 1.00 64.14 C ATOM 1215 CG LYS A 75 -5.270 -11.841 12.886 1.00 62.44 C ATOM 1216 CD LYS A 75 -5.807 -13.066 12.100 1.00 3.14 C ATOM 1217 CE LYS A 75 -7.091 -12.755 11.308 1.00 63.43 C ATOM 1218 NZ LYS A 75 -7.623 -13.960 10.603 1.00 74.13 N ATOM 0 H LYS A 75 -4.389 -8.567 10.738 1.00 2.40 H new ATOM 0 HA LYS A 75 -5.153 -9.115 13.478 1.00 11.11 H new ATOM 0 HB2 LYS A 75 -5.818 -10.401 11.379 1.00 64.14 H new ATOM 0 HB3 LYS A 75 -4.161 -10.960 11.262 1.00 64.14 H new ATOM 0 HG2 LYS A 75 -4.377 -12.132 13.440 1.00 62.44 H new ATOM 0 HG3 LYS A 75 -6.014 -11.530 13.620 1.00 62.44 H new ATOM 0 HD2 LYS A 75 -5.037 -13.415 11.412 1.00 3.14 H new ATOM 0 HD3 LYS A 75 -6.005 -13.880 12.797 1.00 3.14 H new ATOM 0 HE2 LYS A 75 -7.851 -12.368 11.987 1.00 63.43 H new ATOM 0 HE3 LYS A 75 -6.886 -11.971 10.580 1.00 63.43 H new ATOM 0 HZ1 LYS A 75 -8.487 -13.705 10.083 1.00 74.13 H new ATOM 0 HZ2 LYS A 75 -6.909 -14.315 9.935 1.00 74.13 H new ATOM 0 HZ3 LYS A 75 -7.844 -14.700 11.299 1.00 74.13 H new ATOM 1232 N GLU A 76 -1.977 -9.044 12.735 1.00 2.04 N ATOM 1233 CA GLU A 76 -0.623 -9.006 13.350 1.00 14.45 C ATOM 1234 C GLU A 76 -0.483 -7.789 14.297 1.00 41.02 C ATOM 1235 O GLU A 76 0.594 -7.562 14.863 1.00 43.33 O ATOM 1236 CB GLU A 76 0.473 -8.966 12.244 1.00 71.21 C ATOM 1237 CG GLU A 76 0.510 -10.192 11.306 1.00 4.12 C ATOM 1238 CD GLU A 76 0.949 -11.511 11.978 1.00 64.21 C ATOM 1239 OE1 GLU A 76 0.173 -12.100 12.759 1.00 15.15 O ATOM 1240 OE2 GLU A 76 2.063 -11.985 11.703 1.00 61.24 O ATOM 0 H GLU A 76 -2.011 -8.653 11.794 1.00 2.04 H new ATOM 0 HA GLU A 76 -0.489 -9.913 13.940 1.00 14.45 H new ATOM 0 HB2 GLU A 76 0.323 -8.071 11.640 1.00 71.21 H new ATOM 0 HB3 GLU A 76 1.447 -8.867 12.724 1.00 71.21 H new ATOM 0 HG2 GLU A 76 -0.482 -10.333 10.876 1.00 4.12 H new ATOM 0 HG3 GLU A 76 1.188 -9.979 10.480 1.00 4.12 H new ATOM 1247 N GLY A 77 -1.581 -7.011 14.457 1.00 2.40 N ATOM 1248 CA GLY A 77 -1.621 -5.857 15.365 1.00 52.30 C ATOM 1249 C GLY A 77 -1.011 -4.608 14.751 1.00 72.25 C ATOM 1250 O GLY A 77 -0.545 -3.717 15.467 1.00 43.20 O ATOM 0 H GLY A 77 -2.456 -7.171 13.959 1.00 2.40 H new ATOM 0 HA2 GLY A 77 -2.655 -5.653 15.642 1.00 52.30 H new ATOM 0 HA3 GLY A 77 -1.088 -6.103 16.283 1.00 52.30 H new ATOM 1254 N LEU A 78 -1.025 -4.546 13.410 1.00 20.13 N ATOM 1255 CA LEU A 78 -0.379 -3.465 12.645 1.00 0.33 C ATOM 1256 C LEU A 78 -1.421 -2.492 12.086 1.00 11.31 C ATOM 1257 O LEU A 78 -2.624 -2.797 12.053 1.00 0.30 O ATOM 1258 CB LEU A 78 0.446 -4.055 11.475 1.00 13.50 C ATOM 1259 CG LEU A 78 1.440 -5.198 11.835 1.00 71.10 C ATOM 1260 CD1 LEU A 78 2.224 -5.628 10.589 1.00 34.01 C ATOM 1261 CD2 LEU A 78 2.382 -4.811 12.999 1.00 44.31 C ATOM 0 H LEU A 78 -1.484 -5.244 12.825 1.00 20.13 H new ATOM 0 HA LEU A 78 0.282 -2.925 13.323 1.00 0.33 H new ATOM 0 HB2 LEU A 78 -0.248 -4.430 10.723 1.00 13.50 H new ATOM 0 HB3 LEU A 78 1.010 -3.245 11.012 1.00 13.50 H new ATOM 0 HG LEU A 78 0.857 -6.049 12.187 1.00 71.10 H new ATOM 0 HD11 LEU A 78 2.916 -6.428 10.853 1.00 34.01 H new ATOM 0 HD12 LEU A 78 1.530 -5.985 9.828 1.00 34.01 H new ATOM 0 HD13 LEU A 78 2.784 -4.777 10.200 1.00 34.01 H new ATOM 0 HD21 LEU A 78 3.056 -5.640 13.213 1.00 44.31 H new ATOM 0 HD22 LEU A 78 2.964 -3.933 12.719 1.00 44.31 H new ATOM 0 HD23 LEU A 78 1.790 -4.586 13.886 1.00 44.31 H new ATOM 1273 N ARG A 79 -0.947 -1.311 11.649 1.00 44.21 N ATOM 1274 CA ARG A 79 -1.770 -0.322 10.941 1.00 51.54 C ATOM 1275 C ARG A 79 -1.711 -0.617 9.435 1.00 45.21 C ATOM 1276 O ARG A 79 -0.621 -0.787 8.883 1.00 64.23 O ATOM 1277 CB ARG A 79 -1.286 1.129 11.252 1.00 44.54 C ATOM 1278 CG ARG A 79 -1.770 1.745 12.602 1.00 2.22 C ATOM 1279 CD ARG A 79 -1.337 0.990 13.888 1.00 5.53 C ATOM 1280 NE ARG A 79 -2.192 -0.175 14.196 1.00 30.11 N ATOM 1281 CZ ARG A 79 -2.362 -0.713 15.423 1.00 75.32 C ATOM 1282 NH1 ARG A 79 -1.746 -0.211 16.502 1.00 11.45 N ATOM 1283 NH2 ARG A 79 -3.131 -1.781 15.561 1.00 12.20 N ATOM 0 H ARG A 79 0.021 -1.018 11.779 1.00 44.21 H new ATOM 0 HA ARG A 79 -2.803 -0.395 11.281 1.00 51.54 H new ATOM 0 HB2 ARG A 79 -0.196 1.135 11.244 1.00 44.54 H new ATOM 0 HB3 ARG A 79 -1.614 1.780 10.442 1.00 44.54 H new ATOM 0 HG2 ARG A 79 -1.402 2.769 12.664 1.00 2.22 H new ATOM 0 HG3 ARG A 79 -2.859 1.798 12.585 1.00 2.22 H new ATOM 0 HD2 ARG A 79 -0.306 0.656 13.775 1.00 5.53 H new ATOM 0 HD3 ARG A 79 -1.358 1.681 14.731 1.00 5.53 H new ATOM 0 HE ARG A 79 -2.694 -0.607 13.420 1.00 30.11 H new ATOM 0 HH11 ARG A 79 -1.131 0.597 16.408 1.00 11.45 H new ATOM 0 HH12 ARG A 79 -1.892 -0.637 17.417 1.00 11.45 H new ATOM 0 HH21 ARG A 79 -3.588 -2.189 14.746 1.00 12.20 H new ATOM 0 HH22 ARG A 79 -3.267 -2.196 16.483 1.00 12.20 H new ATOM 1297 N VAL A 80 -2.882 -0.715 8.785 1.00 5.32 N ATOM 1298 CA VAL A 80 -2.987 -0.986 7.344 1.00 33.21 C ATOM 1299 C VAL A 80 -3.502 0.264 6.631 1.00 41.22 C ATOM 1300 O VAL A 80 -4.576 0.767 6.968 1.00 1.13 O ATOM 1301 CB VAL A 80 -3.954 -2.193 7.042 1.00 75.04 C ATOM 1302 CG1 VAL A 80 -4.013 -2.483 5.529 1.00 43.42 C ATOM 1303 CG2 VAL A 80 -3.541 -3.447 7.839 1.00 64.04 C ATOM 0 H VAL A 80 -3.785 -0.608 9.247 1.00 5.32 H new ATOM 0 HA VAL A 80 -1.995 -1.253 6.980 1.00 33.21 H new ATOM 0 HB VAL A 80 -4.956 -1.913 7.366 1.00 75.04 H new ATOM 0 HG11 VAL A 80 -4.687 -3.320 5.345 1.00 43.42 H new ATOM 0 HG12 VAL A 80 -4.378 -1.601 5.003 1.00 43.42 H new ATOM 0 HG13 VAL A 80 -3.016 -2.734 5.167 1.00 43.42 H new ATOM 0 HG21 VAL A 80 -4.225 -4.264 7.611 1.00 64.04 H new ATOM 0 HG22 VAL A 80 -2.527 -3.736 7.563 1.00 64.04 H new ATOM 0 HG23 VAL A 80 -3.579 -3.229 8.906 1.00 64.04 H new ATOM 1313 N ILE A 81 -2.717 0.768 5.672 1.00 21.15 N ATOM 1314 CA ILE A 81 -3.104 1.886 4.811 1.00 12.22 C ATOM 1315 C ILE A 81 -3.171 1.364 3.362 1.00 2.24 C ATOM 1316 O ILE A 81 -2.165 0.936 2.834 1.00 5.31 O ATOM 1317 CB ILE A 81 -2.096 3.116 4.930 1.00 43.45 C ATOM 1318 CG1 ILE A 81 -2.303 3.943 6.257 1.00 70.43 C ATOM 1319 CG2 ILE A 81 -2.214 4.051 3.706 1.00 52.14 C ATOM 1320 CD1 ILE A 81 -1.879 3.258 7.554 1.00 14.54 C ATOM 0 H ILE A 81 -1.785 0.405 5.472 1.00 21.15 H new ATOM 0 HA ILE A 81 -4.077 2.264 5.127 1.00 12.22 H new ATOM 0 HB ILE A 81 -1.094 2.688 4.961 1.00 43.45 H new ATOM 0 HG12 ILE A 81 -1.750 4.878 6.167 1.00 70.43 H new ATOM 0 HG13 ILE A 81 -3.358 4.203 6.337 1.00 70.43 H new ATOM 0 HG21 ILE A 81 -1.516 4.881 3.813 1.00 52.14 H new ATOM 0 HG22 ILE A 81 -1.979 3.494 2.799 1.00 52.14 H new ATOM 0 HG23 ILE A 81 -3.231 4.439 3.641 1.00 52.14 H new ATOM 0 HD11 ILE A 81 -2.069 3.923 8.396 1.00 14.54 H new ATOM 0 HD12 ILE A 81 -2.449 2.338 7.683 1.00 14.54 H new ATOM 0 HD13 ILE A 81 -0.816 3.023 7.511 1.00 14.54 H new ATOM 1332 N VAL A 82 -4.361 1.382 2.748 1.00 53.12 N ATOM 1333 CA VAL A 82 -4.562 0.929 1.350 1.00 51.04 C ATOM 1334 C VAL A 82 -4.718 2.162 0.441 1.00 34.13 C ATOM 1335 O VAL A 82 -5.633 2.926 0.619 1.00 61.20 O ATOM 1336 CB VAL A 82 -5.839 -0.006 1.244 1.00 10.14 C ATOM 1337 CG1 VAL A 82 -6.114 -0.446 -0.213 1.00 22.00 C ATOM 1338 CG2 VAL A 82 -5.703 -1.231 2.179 1.00 31.01 C ATOM 0 H VAL A 82 -5.216 1.709 3.199 1.00 53.12 H new ATOM 0 HA VAL A 82 -3.697 0.349 1.030 1.00 51.04 H new ATOM 0 HB VAL A 82 -6.699 0.579 1.570 1.00 10.14 H new ATOM 0 HG11 VAL A 82 -6.997 -1.085 -0.240 1.00 22.00 H new ATOM 0 HG12 VAL A 82 -6.284 0.434 -0.833 1.00 22.00 H new ATOM 0 HG13 VAL A 82 -5.255 -0.998 -0.595 1.00 22.00 H new ATOM 0 HG21 VAL A 82 -6.590 -1.858 2.089 1.00 31.01 H new ATOM 0 HG22 VAL A 82 -4.822 -1.807 1.898 1.00 31.01 H new ATOM 0 HG23 VAL A 82 -5.601 -0.892 3.210 1.00 31.01 H new ATOM 1348 N ILE A 83 -3.800 2.378 -0.509 1.00 4.24 N ATOM 1349 CA ILE A 83 -3.854 3.532 -1.436 1.00 54.14 C ATOM 1350 C ILE A 83 -4.230 3.047 -2.846 1.00 74.14 C ATOM 1351 O ILE A 83 -3.505 2.267 -3.444 1.00 74.45 O ATOM 1352 CB ILE A 83 -2.467 4.280 -1.459 1.00 64.20 C ATOM 1353 CG1 ILE A 83 -2.061 4.660 -0.002 1.00 63.42 C ATOM 1354 CG2 ILE A 83 -2.503 5.534 -2.377 1.00 0.13 C ATOM 1355 CD1 ILE A 83 -0.670 5.215 0.156 1.00 21.02 C ATOM 0 H ILE A 83 -2.999 1.765 -0.662 1.00 4.24 H new ATOM 0 HA ILE A 83 -4.614 4.233 -1.090 1.00 54.14 H new ATOM 0 HB ILE A 83 -1.717 3.608 -1.877 1.00 64.20 H new ATOM 0 HG12 ILE A 83 -2.772 5.395 0.376 1.00 63.42 H new ATOM 0 HG13 ILE A 83 -2.154 3.774 0.626 1.00 63.42 H new ATOM 0 HG21 ILE A 83 -1.528 6.021 -2.366 1.00 0.13 H new ATOM 0 HG22 ILE A 83 -2.746 5.232 -3.396 1.00 0.13 H new ATOM 0 HG23 ILE A 83 -3.260 6.229 -2.014 1.00 0.13 H new ATOM 0 HD11 ILE A 83 -0.488 5.447 1.205 1.00 21.02 H new ATOM 0 HD12 ILE A 83 0.057 4.477 -0.184 1.00 21.02 H new ATOM 0 HD13 ILE A 83 -0.571 6.123 -0.439 1.00 21.02 H new ATOM 1367 N ILE A 84 -5.384 3.493 -3.349 1.00 4.14 N ATOM 1368 CA ILE A 84 -5.867 3.140 -4.695 1.00 54.23 C ATOM 1369 C ILE A 84 -5.513 4.282 -5.668 1.00 33.44 C ATOM 1370 O ILE A 84 -5.849 5.440 -5.410 1.00 12.23 O ATOM 1371 CB ILE A 84 -7.423 2.908 -4.686 1.00 44.34 C ATOM 1372 CG1 ILE A 84 -7.806 1.887 -3.571 1.00 53.21 C ATOM 1373 CG2 ILE A 84 -7.929 2.427 -6.071 1.00 11.21 C ATOM 1374 CD1 ILE A 84 -9.288 1.756 -3.331 1.00 71.41 C ATOM 0 H ILE A 84 -6.014 4.110 -2.837 1.00 4.14 H new ATOM 0 HA ILE A 84 -5.388 2.215 -5.015 1.00 54.23 H new ATOM 0 HB ILE A 84 -7.909 3.860 -4.472 1.00 44.34 H new ATOM 0 HG12 ILE A 84 -7.405 0.909 -3.837 1.00 53.21 H new ATOM 0 HG13 ILE A 84 -7.324 2.186 -2.640 1.00 53.21 H new ATOM 0 HG21 ILE A 84 -9.008 2.276 -6.032 1.00 11.21 H new ATOM 0 HG22 ILE A 84 -7.695 3.179 -6.825 1.00 11.21 H new ATOM 0 HG23 ILE A 84 -7.440 1.488 -6.331 1.00 11.21 H new ATOM 0 HD11 ILE A 84 -9.466 1.026 -2.541 1.00 71.41 H new ATOM 0 HD12 ILE A 84 -9.695 2.722 -3.031 1.00 71.41 H new ATOM 0 HD13 ILE A 84 -9.777 1.425 -4.247 1.00 71.41 H new ATOM 1386 N VAL A 85 -4.820 3.938 -6.767 1.00 61.42 N ATOM 1387 CA VAL A 85 -4.438 4.876 -7.824 1.00 21.22 C ATOM 1388 C VAL A 85 -5.243 4.513 -9.081 1.00 35.40 C ATOM 1389 O VAL A 85 -4.915 3.541 -9.769 1.00 32.51 O ATOM 1390 CB VAL A 85 -2.886 4.786 -8.129 1.00 4.44 C ATOM 1391 CG1 VAL A 85 -2.434 5.926 -9.068 1.00 14.45 C ATOM 1392 CG2 VAL A 85 -2.072 4.763 -6.816 1.00 53.53 C ATOM 0 H VAL A 85 -4.507 2.984 -6.944 1.00 61.42 H new ATOM 0 HA VAL A 85 -4.651 5.897 -7.508 1.00 21.22 H new ATOM 0 HB VAL A 85 -2.694 3.849 -8.651 1.00 4.44 H new ATOM 0 HG11 VAL A 85 -1.364 5.838 -9.259 1.00 14.45 H new ATOM 0 HG12 VAL A 85 -2.978 5.858 -10.010 1.00 14.45 H new ATOM 0 HG13 VAL A 85 -2.640 6.888 -8.598 1.00 14.45 H new ATOM 0 HG21 VAL A 85 -1.009 4.701 -7.048 1.00 53.53 H new ATOM 0 HG22 VAL A 85 -2.267 5.674 -6.251 1.00 53.53 H new ATOM 0 HG23 VAL A 85 -2.365 3.898 -6.222 1.00 53.53 H new ATOM 1402 N SER A 86 -6.316 5.265 -9.344 1.00 73.22 N ATOM 1403 CA SER A 86 -7.230 5.034 -10.477 1.00 41.45 C ATOM 1404 C SER A 86 -7.877 6.372 -10.862 1.00 64.41 C ATOM 1405 O SER A 86 -8.324 7.118 -9.984 1.00 31.02 O ATOM 1406 CB SER A 86 -8.329 3.995 -10.093 1.00 22.13 C ATOM 1407 OG SER A 86 -7.774 2.733 -9.733 1.00 71.44 O ATOM 0 H SER A 86 -6.582 6.065 -8.769 1.00 73.22 H new ATOM 0 HA SER A 86 -6.671 4.633 -11.322 1.00 41.45 H new ATOM 0 HB2 SER A 86 -8.918 4.382 -9.261 1.00 22.13 H new ATOM 0 HB3 SER A 86 -9.012 3.864 -10.933 1.00 22.13 H new ATOM 0 HG SER A 86 -8.496 2.113 -9.498 1.00 71.44 H new ATOM 1413 N GLN A 87 -7.928 6.683 -12.164 1.00 44.11 N ATOM 1414 CA GLN A 87 -8.562 7.913 -12.665 1.00 75.50 C ATOM 1415 C GLN A 87 -10.048 7.644 -12.990 1.00 32.34 C ATOM 1416 O GLN A 87 -10.531 7.873 -14.103 1.00 5.03 O ATOM 1417 CB GLN A 87 -7.766 8.472 -13.875 1.00 52.41 C ATOM 1418 CG GLN A 87 -7.557 7.480 -15.038 1.00 44.51 C ATOM 1419 CD GLN A 87 -6.681 8.058 -16.144 1.00 44.23 C ATOM 1420 OE1 GLN A 87 -7.177 8.647 -17.103 1.00 15.44 O ATOM 1421 NE2 GLN A 87 -5.373 7.908 -16.001 1.00 64.51 N ATOM 0 H GLN A 87 -7.534 6.094 -12.897 1.00 44.11 H new ATOM 0 HA GLN A 87 -8.540 8.684 -11.895 1.00 75.50 H new ATOM 0 HB2 GLN A 87 -8.286 9.351 -14.257 1.00 52.41 H new ATOM 0 HB3 GLN A 87 -6.790 8.807 -13.524 1.00 52.41 H new ATOM 0 HG2 GLN A 87 -7.100 6.567 -14.656 1.00 44.51 H new ATOM 0 HG3 GLN A 87 -8.526 7.202 -15.453 1.00 44.51 H new ATOM 0 HE21 GLN A 87 -5.002 7.413 -15.190 1.00 64.51 H new ATOM 0 HE22 GLN A 87 -4.736 8.288 -16.702 1.00 64.51 H new ATOM 1430 N ASP A 88 -10.770 7.161 -11.975 1.00 52.02 N ATOM 1431 CA ASP A 88 -12.201 6.858 -12.049 1.00 1.12 C ATOM 1432 C ASP A 88 -12.767 6.953 -10.633 1.00 53.40 C ATOM 1433 O ASP A 88 -12.207 6.368 -9.702 1.00 14.53 O ATOM 1434 CB ASP A 88 -12.424 5.452 -12.660 1.00 73.00 C ATOM 1435 CG ASP A 88 -13.908 5.109 -12.884 1.00 51.55 C ATOM 1436 OD1 ASP A 88 -14.555 4.597 -11.946 1.00 73.24 O ATOM 1437 OD2 ASP A 88 -14.429 5.358 -14.000 1.00 3.43 O ATOM 0 H ASP A 88 -10.366 6.966 -11.059 1.00 52.02 H new ATOM 0 HA ASP A 88 -12.715 7.568 -12.697 1.00 1.12 H new ATOM 0 HB2 ASP A 88 -11.897 5.390 -13.612 1.00 73.00 H new ATOM 0 HB3 ASP A 88 -11.982 4.704 -12.002 1.00 73.00 H new ATOM 1442 N GLU A 89 -13.872 7.694 -10.494 1.00 70.25 N ATOM 1443 CA GLU A 89 -14.443 8.062 -9.180 1.00 55.32 C ATOM 1444 C GLU A 89 -15.016 6.834 -8.469 1.00 42.32 C ATOM 1445 O GLU A 89 -14.918 6.725 -7.249 1.00 71.25 O ATOM 1446 CB GLU A 89 -15.541 9.166 -9.299 1.00 24.45 C ATOM 1447 CG GLU A 89 -15.096 10.463 -10.008 1.00 22.34 C ATOM 1448 CD GLU A 89 -15.034 10.332 -11.541 1.00 12.22 C ATOM 1449 OE1 GLU A 89 -16.091 10.380 -12.198 1.00 4.30 O ATOM 1450 OE2 GLU A 89 -13.932 10.145 -12.095 1.00 34.52 O ATOM 0 H GLU A 89 -14.401 8.059 -11.286 1.00 70.25 H new ATOM 0 HA GLU A 89 -13.624 8.470 -8.588 1.00 55.32 H new ATOM 0 HB2 GLU A 89 -16.394 8.751 -9.837 1.00 24.45 H new ATOM 0 HB3 GLU A 89 -15.889 9.419 -8.297 1.00 24.45 H new ATOM 0 HG2 GLU A 89 -15.786 11.266 -9.747 1.00 22.34 H new ATOM 0 HG3 GLU A 89 -14.114 10.753 -9.636 1.00 22.34 H new ATOM 1457 N GLU A 90 -15.602 5.918 -9.262 1.00 43.23 N ATOM 1458 CA GLU A 90 -16.190 4.654 -8.766 1.00 3.13 C ATOM 1459 C GLU A 90 -15.102 3.616 -8.430 1.00 70.41 C ATOM 1460 O GLU A 90 -15.267 2.831 -7.505 1.00 64.43 O ATOM 1461 CB GLU A 90 -17.191 4.070 -9.799 1.00 50.21 C ATOM 1462 CG GLU A 90 -18.414 4.962 -10.065 1.00 10.03 C ATOM 1463 CD GLU A 90 -19.460 4.282 -10.966 1.00 10.41 C ATOM 1464 OE1 GLU A 90 -20.251 3.456 -10.455 1.00 53.32 O ATOM 1465 OE2 GLU A 90 -19.489 4.559 -12.186 1.00 60.12 O ATOM 0 H GLU A 90 -15.683 6.032 -10.272 1.00 43.23 H new ATOM 0 HA GLU A 90 -16.729 4.884 -7.847 1.00 3.13 H new ATOM 0 HB2 GLU A 90 -16.667 3.901 -10.740 1.00 50.21 H new ATOM 0 HB3 GLU A 90 -17.534 3.098 -9.446 1.00 50.21 H new ATOM 0 HG2 GLU A 90 -18.877 5.229 -9.115 1.00 10.03 H new ATOM 0 HG3 GLU A 90 -18.087 5.891 -10.532 1.00 10.03 H new ATOM 1472 N ALA A 91 -13.996 3.627 -9.189 1.00 55.35 N ATOM 1473 CA ALA A 91 -12.853 2.712 -8.956 1.00 20.44 C ATOM 1474 C ALA A 91 -12.158 3.044 -7.631 1.00 2.11 C ATOM 1475 O ALA A 91 -11.720 2.150 -6.892 1.00 70.42 O ATOM 1476 CB ALA A 91 -11.858 2.791 -10.118 1.00 0.30 C ATOM 0 H ALA A 91 -13.862 4.262 -9.976 1.00 55.35 H new ATOM 0 HA ALA A 91 -13.235 1.693 -8.897 1.00 20.44 H new ATOM 0 HB1 ALA A 91 -11.025 2.113 -9.931 1.00 0.30 H new ATOM 0 HB2 ALA A 91 -12.357 2.506 -11.044 1.00 0.30 H new ATOM 0 HB3 ALA A 91 -11.483 3.811 -10.207 1.00 0.30 H new ATOM 1482 N LEU A 92 -12.072 4.352 -7.355 1.00 33.32 N ATOM 1483 CA LEU A 92 -11.544 4.871 -6.099 1.00 1.12 C ATOM 1484 C LEU A 92 -12.538 4.609 -4.954 1.00 44.02 C ATOM 1485 O LEU A 92 -12.174 3.997 -3.958 1.00 55.42 O ATOM 1486 CB LEU A 92 -11.229 6.394 -6.244 1.00 33.41 C ATOM 1487 CG LEU A 92 -10.047 6.762 -7.198 1.00 73.14 C ATOM 1488 CD1 LEU A 92 -9.810 8.287 -7.246 1.00 10.24 C ATOM 1489 CD2 LEU A 92 -8.759 6.022 -6.793 1.00 15.24 C ATOM 0 H LEU A 92 -12.370 5.079 -8.005 1.00 33.32 H new ATOM 0 HA LEU A 92 -10.615 4.354 -5.857 1.00 1.12 H new ATOM 0 HB2 LEU A 92 -12.127 6.898 -6.600 1.00 33.41 H new ATOM 0 HB3 LEU A 92 -11.009 6.795 -5.255 1.00 33.41 H new ATOM 0 HG LEU A 92 -10.325 6.439 -8.201 1.00 73.14 H new ATOM 0 HD11 LEU A 92 -8.981 8.505 -7.919 1.00 10.24 H new ATOM 0 HD12 LEU A 92 -10.711 8.784 -7.607 1.00 10.24 H new ATOM 0 HD13 LEU A 92 -9.571 8.650 -6.246 1.00 10.24 H new ATOM 0 HD21 LEU A 92 -7.953 6.296 -7.473 1.00 15.24 H new ATOM 0 HD22 LEU A 92 -8.485 6.299 -5.775 1.00 15.24 H new ATOM 0 HD23 LEU A 92 -8.926 4.946 -6.844 1.00 15.24 H new ATOM 1501 N ARG A 93 -13.806 5.032 -5.143 1.00 41.43 N ATOM 1502 CA ARG A 93 -14.833 5.041 -4.072 1.00 71.35 C ATOM 1503 C ARG A 93 -15.191 3.628 -3.574 1.00 33.03 C ATOM 1504 O ARG A 93 -15.241 3.405 -2.360 1.00 30.32 O ATOM 1505 CB ARG A 93 -16.130 5.766 -4.532 1.00 44.34 C ATOM 1506 CG ARG A 93 -17.238 5.830 -3.448 1.00 24.42 C ATOM 1507 CD ARG A 93 -18.526 6.519 -3.926 1.00 23.53 C ATOM 1508 NE ARG A 93 -19.558 6.503 -2.863 1.00 72.31 N ATOM 1509 CZ ARG A 93 -20.362 7.522 -2.528 1.00 54.23 C ATOM 1510 NH1 ARG A 93 -20.279 8.697 -3.151 1.00 55.45 N ATOM 1511 NH2 ARG A 93 -21.262 7.349 -1.567 1.00 71.04 N ATOM 0 H ARG A 93 -14.149 5.377 -6.040 1.00 41.43 H new ATOM 0 HA ARG A 93 -14.386 5.588 -3.242 1.00 71.35 H new ATOM 0 HB2 ARG A 93 -15.877 6.781 -4.838 1.00 44.34 H new ATOM 0 HB3 ARG A 93 -16.526 5.257 -5.411 1.00 44.34 H new ATOM 0 HG2 ARG A 93 -17.476 4.817 -3.124 1.00 24.42 H new ATOM 0 HG3 ARG A 93 -16.853 6.361 -2.578 1.00 24.42 H new ATOM 0 HD2 ARG A 93 -18.308 7.548 -4.212 1.00 23.53 H new ATOM 0 HD3 ARG A 93 -18.905 6.014 -4.815 1.00 23.53 H new ATOM 0 HE ARG A 93 -19.667 5.636 -2.337 1.00 72.31 H new ATOM 0 HH11 ARG A 93 -19.596 8.832 -3.896 1.00 55.45 H new ATOM 0 HH12 ARG A 93 -20.899 9.461 -2.883 1.00 55.45 H new ATOM 0 HH21 ARG A 93 -21.336 6.449 -1.093 1.00 71.04 H new ATOM 0 HH22 ARG A 93 -21.880 8.116 -1.303 1.00 71.04 H new ATOM 1525 N LYS A 94 -15.447 2.693 -4.515 1.00 3.43 N ATOM 1526 CA LYS A 94 -15.867 1.315 -4.171 1.00 22.52 C ATOM 1527 C LYS A 94 -14.808 0.633 -3.301 1.00 30.50 C ATOM 1528 O LYS A 94 -15.122 0.119 -2.237 1.00 10.12 O ATOM 1529 CB LYS A 94 -16.147 0.464 -5.444 1.00 64.32 C ATOM 1530 CG LYS A 94 -17.435 0.853 -6.203 1.00 50.22 C ATOM 1531 CD LYS A 94 -17.727 -0.072 -7.410 1.00 25.42 C ATOM 1532 CE LYS A 94 -19.092 0.222 -8.054 1.00 23.25 C ATOM 1533 NZ LYS A 94 -19.189 1.611 -8.576 1.00 3.24 N ATOM 0 H LYS A 94 -15.371 2.866 -5.517 1.00 3.43 H new ATOM 0 HA LYS A 94 -16.797 1.387 -3.608 1.00 22.52 H new ATOM 0 HB2 LYS A 94 -15.299 0.557 -6.122 1.00 64.32 H new ATOM 0 HB3 LYS A 94 -16.212 -0.586 -5.157 1.00 64.32 H new ATOM 0 HG2 LYS A 94 -18.280 0.821 -5.515 1.00 50.22 H new ATOM 0 HG3 LYS A 94 -17.348 1.882 -6.553 1.00 50.22 H new ATOM 0 HD2 LYS A 94 -16.942 0.050 -8.156 1.00 25.42 H new ATOM 0 HD3 LYS A 94 -17.698 -1.112 -7.084 1.00 25.42 H new ATOM 0 HE2 LYS A 94 -19.265 -0.481 -8.868 1.00 23.25 H new ATOM 0 HE3 LYS A 94 -19.880 0.058 -7.319 1.00 23.25 H new ATOM 0 HZ1 LYS A 94 -20.189 1.890 -8.637 1.00 3.24 H new ATOM 0 HZ2 LYS A 94 -18.687 2.258 -7.935 1.00 3.24 H new ATOM 0 HZ3 LYS A 94 -18.759 1.657 -9.522 1.00 3.24 H new ATOM 1547 N GLY A 95 -13.545 0.698 -3.749 1.00 63.03 N ATOM 1548 CA GLY A 95 -12.428 0.137 -2.987 1.00 4.53 C ATOM 1549 C GLY A 95 -12.170 0.888 -1.685 1.00 41.11 C ATOM 1550 O GLY A 95 -11.726 0.293 -0.694 1.00 34.11 O ATOM 0 H GLY A 95 -13.276 1.132 -4.632 1.00 63.03 H new ATOM 0 HA2 GLY A 95 -12.635 -0.910 -2.763 1.00 4.53 H new ATOM 0 HA3 GLY A 95 -11.527 0.160 -3.600 1.00 4.53 H new ATOM 1554 N TYR A 96 -12.440 2.209 -1.707 1.00 13.20 N ATOM 1555 CA TYR A 96 -12.191 3.104 -0.565 1.00 22.44 C ATOM 1556 C TYR A 96 -13.049 2.702 0.628 1.00 14.52 C ATOM 1557 O TYR A 96 -12.521 2.308 1.658 1.00 35.35 O ATOM 1558 CB TYR A 96 -12.462 4.585 -0.965 1.00 51.31 C ATOM 1559 CG TYR A 96 -12.424 5.630 0.162 1.00 13.10 C ATOM 1560 CD1 TYR A 96 -11.218 6.040 0.733 1.00 73.33 C ATOM 1561 CD2 TYR A 96 -13.597 6.231 0.640 1.00 51.12 C ATOM 1562 CE1 TYR A 96 -11.186 6.999 1.729 1.00 45.21 C ATOM 1563 CE2 TYR A 96 -13.565 7.191 1.635 1.00 13.34 C ATOM 1564 CZ TYR A 96 -12.359 7.570 2.175 1.00 42.02 C ATOM 1565 OH TYR A 96 -12.318 8.519 3.177 1.00 45.24 O ATOM 0 H TYR A 96 -12.837 2.683 -2.518 1.00 13.20 H new ATOM 0 HA TYR A 96 -11.144 3.013 -0.277 1.00 22.44 H new ATOM 0 HB2 TYR A 96 -11.728 4.872 -1.718 1.00 51.31 H new ATOM 0 HB3 TYR A 96 -13.442 4.634 -1.440 1.00 51.31 H new ATOM 0 HD1 TYR A 96 -10.293 5.600 0.391 1.00 73.33 H new ATOM 0 HD2 TYR A 96 -14.548 5.937 0.221 1.00 51.12 H new ATOM 0 HE1 TYR A 96 -10.242 7.301 2.158 1.00 45.21 H new ATOM 0 HE2 TYR A 96 -14.482 7.640 1.986 1.00 13.34 H new ATOM 0 HH TYR A 96 -13.228 8.824 3.376 1.00 45.24 H new ATOM 1575 N GLU A 97 -14.372 2.730 0.435 1.00 23.14 N ATOM 1576 CA GLU A 97 -15.332 2.465 1.509 1.00 74.44 C ATOM 1577 C GLU A 97 -15.338 0.977 1.899 1.00 63.31 C ATOM 1578 O GLU A 97 -15.581 0.661 3.047 1.00 24.10 O ATOM 1579 CB GLU A 97 -16.742 3.002 1.129 1.00 15.22 C ATOM 1580 CG GLU A 97 -17.393 2.421 -0.151 1.00 62.34 C ATOM 1581 CD GLU A 97 -18.100 1.058 0.025 1.00 72.15 C ATOM 1582 OE1 GLU A 97 -19.069 0.982 0.815 1.00 5.24 O ATOM 1583 OE2 GLU A 97 -17.731 0.077 -0.660 1.00 73.14 O ATOM 0 H GLU A 97 -14.805 2.936 -0.465 1.00 23.14 H new ATOM 0 HA GLU A 97 -15.018 3.008 2.400 1.00 74.44 H new ATOM 0 HB2 GLU A 97 -17.414 2.813 1.966 1.00 15.22 H new ATOM 0 HB3 GLU A 97 -16.673 4.084 1.013 1.00 15.22 H new ATOM 0 HG2 GLU A 97 -18.119 3.142 -0.528 1.00 62.34 H new ATOM 0 HG3 GLU A 97 -16.622 2.315 -0.914 1.00 62.34 H new ATOM 1590 N ASP A 98 -15.052 0.089 0.921 1.00 34.31 N ATOM 1591 CA ASP A 98 -15.022 -1.384 1.123 1.00 60.41 C ATOM 1592 C ASP A 98 -13.900 -1.824 2.086 1.00 15.43 C ATOM 1593 O ASP A 98 -14.150 -2.566 3.045 1.00 72.45 O ATOM 1594 CB ASP A 98 -14.870 -2.104 -0.248 1.00 40.05 C ATOM 1595 CG ASP A 98 -14.838 -3.636 -0.150 1.00 14.54 C ATOM 1596 OD1 ASP A 98 -15.903 -4.254 0.066 1.00 24.15 O ATOM 1597 OD2 ASP A 98 -13.749 -4.240 -0.285 1.00 43.44 O ATOM 0 H ASP A 98 -14.834 0.371 -0.035 1.00 34.31 H new ATOM 0 HA ASP A 98 -15.968 -1.669 1.584 1.00 60.41 H new ATOM 0 HB2 ASP A 98 -15.696 -1.809 -0.895 1.00 40.05 H new ATOM 0 HB3 ASP A 98 -13.952 -1.762 -0.727 1.00 40.05 H new ATOM 1602 N LYS A 99 -12.663 -1.366 1.816 1.00 13.51 N ATOM 1603 CA LYS A 99 -11.489 -1.690 2.656 1.00 52.31 C ATOM 1604 C LYS A 99 -11.533 -0.881 3.966 1.00 15.25 C ATOM 1605 O LYS A 99 -11.119 -1.377 5.017 1.00 2.11 O ATOM 1606 CB LYS A 99 -10.137 -1.446 1.903 1.00 43.42 C ATOM 1607 CG LYS A 99 -9.687 -2.580 0.946 1.00 41.44 C ATOM 1608 CD LYS A 99 -10.689 -2.843 -0.190 1.00 13.34 C ATOM 1609 CE LYS A 99 -10.295 -4.020 -1.095 1.00 31.11 C ATOM 1610 NZ LYS A 99 -11.391 -4.332 -2.053 1.00 73.51 N ATOM 0 H LYS A 99 -12.448 -0.767 1.019 1.00 13.51 H new ATOM 0 HA LYS A 99 -11.537 -2.754 2.890 1.00 52.31 H new ATOM 0 HB2 LYS A 99 -10.223 -0.524 1.329 1.00 43.42 H new ATOM 0 HB3 LYS A 99 -9.353 -1.288 2.644 1.00 43.42 H new ATOM 0 HG2 LYS A 99 -8.719 -2.322 0.516 1.00 41.44 H new ATOM 0 HG3 LYS A 99 -9.547 -3.497 1.519 1.00 41.44 H new ATOM 0 HD2 LYS A 99 -11.671 -3.039 0.241 1.00 13.34 H new ATOM 0 HD3 LYS A 99 -10.781 -1.943 -0.798 1.00 13.34 H new ATOM 0 HE2 LYS A 99 -9.384 -3.776 -1.642 1.00 31.11 H new ATOM 0 HE3 LYS A 99 -10.076 -4.897 -0.486 1.00 31.11 H new ATOM 0 HZ1 LYS A 99 -11.712 -5.310 -1.906 1.00 73.51 H new ATOM 0 HZ2 LYS A 99 -12.185 -3.679 -1.896 1.00 73.51 H new ATOM 0 HZ3 LYS A 99 -11.042 -4.225 -3.027 1.00 73.51 H new ATOM 1624 N LYS A 100 -12.057 0.365 3.897 1.00 25.44 N ATOM 1625 CA LYS A 100 -12.181 1.261 5.071 1.00 34.44 C ATOM 1626 C LYS A 100 -13.222 0.706 6.065 1.00 25.13 C ATOM 1627 O LYS A 100 -13.101 0.892 7.270 1.00 45.13 O ATOM 1628 CB LYS A 100 -12.548 2.710 4.626 1.00 30.21 C ATOM 1629 CG LYS A 100 -12.183 3.818 5.633 1.00 13.11 C ATOM 1630 CD LYS A 100 -12.578 5.228 5.136 1.00 54.55 C ATOM 1631 CE LYS A 100 -12.041 6.352 6.038 1.00 62.24 C ATOM 1632 NZ LYS A 100 -12.457 6.195 7.457 1.00 64.15 N ATOM 0 H LYS A 100 -12.404 0.776 3.030 1.00 25.44 H new ATOM 0 HA LYS A 100 -11.216 1.302 5.577 1.00 34.44 H new ATOM 0 HB2 LYS A 100 -12.047 2.921 3.681 1.00 30.21 H new ATOM 0 HB3 LYS A 100 -13.620 2.754 4.435 1.00 30.21 H new ATOM 0 HG2 LYS A 100 -12.680 3.619 6.582 1.00 13.11 H new ATOM 0 HG3 LYS A 100 -11.110 3.791 5.824 1.00 13.11 H new ATOM 0 HD2 LYS A 100 -12.201 5.370 4.123 1.00 54.55 H new ATOM 0 HD3 LYS A 100 -13.664 5.298 5.084 1.00 54.55 H new ATOM 0 HE2 LYS A 100 -10.953 6.369 5.982 1.00 62.24 H new ATOM 0 HE3 LYS A 100 -12.394 7.313 5.664 1.00 62.24 H new ATOM 0 HZ1 LYS A 100 -12.126 7.013 8.008 1.00 64.15 H new ATOM 0 HZ2 LYS A 100 -13.494 6.138 7.510 1.00 64.15 H new ATOM 0 HZ3 LYS A 100 -12.042 5.325 7.846 1.00 64.15 H new ATOM 1646 N LYS A 101 -14.216 -0.013 5.517 1.00 11.54 N ATOM 1647 CA LYS A 101 -15.275 -0.701 6.291 1.00 33.50 C ATOM 1648 C LYS A 101 -14.676 -1.884 7.079 1.00 24.20 C ATOM 1649 O LYS A 101 -15.113 -2.195 8.181 1.00 51.42 O ATOM 1650 CB LYS A 101 -16.370 -1.184 5.303 1.00 33.13 C ATOM 1651 CG LYS A 101 -17.708 -1.646 5.912 1.00 33.12 C ATOM 1652 CD LYS A 101 -18.777 -1.922 4.822 1.00 70.41 C ATOM 1653 CE LYS A 101 -19.024 -0.708 3.897 1.00 53.12 C ATOM 1654 NZ LYS A 101 -19.956 -1.026 2.775 1.00 53.24 N ATOM 0 H LYS A 101 -14.312 -0.137 4.509 1.00 11.54 H new ATOM 0 HA LYS A 101 -15.719 -0.017 7.014 1.00 33.50 H new ATOM 0 HB2 LYS A 101 -16.578 -0.373 4.605 1.00 33.13 H new ATOM 0 HB3 LYS A 101 -15.960 -2.009 4.720 1.00 33.13 H new ATOM 0 HG2 LYS A 101 -17.546 -2.550 6.499 1.00 33.12 H new ATOM 0 HG3 LYS A 101 -18.077 -0.883 6.597 1.00 33.12 H new ATOM 0 HD2 LYS A 101 -18.461 -2.773 4.219 1.00 70.41 H new ATOM 0 HD3 LYS A 101 -19.714 -2.202 5.303 1.00 70.41 H new ATOM 0 HE2 LYS A 101 -19.433 0.114 4.483 1.00 53.12 H new ATOM 0 HE3 LYS A 101 -18.073 -0.366 3.489 1.00 53.12 H new ATOM 0 HZ1 LYS A 101 -19.775 -0.380 1.980 1.00 53.24 H new ATOM 0 HZ2 LYS A 101 -19.805 -2.007 2.466 1.00 53.24 H new ATOM 0 HZ3 LYS A 101 -20.938 -0.912 3.097 1.00 53.24 H new ATOM 1668 N LYS A 102 -13.647 -2.509 6.482 1.00 31.54 N ATOM 1669 CA LYS A 102 -12.871 -3.607 7.100 1.00 11.45 C ATOM 1670 C LYS A 102 -11.826 -3.064 8.114 1.00 23.34 C ATOM 1671 O LYS A 102 -11.129 -3.846 8.779 1.00 34.35 O ATOM 1672 CB LYS A 102 -12.171 -4.411 5.975 1.00 31.44 C ATOM 1673 CG LYS A 102 -13.126 -5.052 4.942 1.00 73.31 C ATOM 1674 CD LYS A 102 -12.389 -5.632 3.706 1.00 73.12 C ATOM 1675 CE LYS A 102 -13.353 -6.314 2.723 1.00 25.34 C ATOM 1676 NZ LYS A 102 -14.464 -5.415 2.310 1.00 21.44 N ATOM 0 H LYS A 102 -13.324 -2.266 5.546 1.00 31.54 H new ATOM 0 HA LYS A 102 -13.549 -4.255 7.655 1.00 11.45 H new ATOM 0 HB2 LYS A 102 -11.483 -3.749 5.450 1.00 31.44 H new ATOM 0 HB3 LYS A 102 -11.571 -5.198 6.431 1.00 31.44 H new ATOM 0 HG2 LYS A 102 -13.693 -5.848 5.426 1.00 73.31 H new ATOM 0 HG3 LYS A 102 -13.846 -4.304 4.610 1.00 73.31 H new ATOM 0 HD2 LYS A 102 -11.857 -4.831 3.193 1.00 73.12 H new ATOM 0 HD3 LYS A 102 -11.640 -6.352 4.036 1.00 73.12 H new ATOM 0 HE2 LYS A 102 -12.801 -6.636 1.840 1.00 25.34 H new ATOM 0 HE3 LYS A 102 -13.766 -7.211 3.185 1.00 25.34 H new ATOM 0 HZ1 LYS A 102 -14.668 -5.556 1.300 1.00 21.44 H new ATOM 0 HZ2 LYS A 102 -15.314 -5.634 2.868 1.00 21.44 H new ATOM 0 HZ3 LYS A 102 -14.189 -4.425 2.473 1.00 21.44 H new ATOM 1690 N GLY A 103 -11.710 -1.722 8.199 1.00 11.13 N ATOM 1691 CA GLY A 103 -10.829 -1.048 9.162 1.00 40.34 C ATOM 1692 C GLY A 103 -9.424 -0.831 8.632 1.00 11.14 C ATOM 1693 O GLY A 103 -8.461 -0.760 9.406 1.00 12.43 O ATOM 0 H GLY A 103 -12.227 -1.079 7.599 1.00 11.13 H new ATOM 0 HA2 GLY A 103 -11.263 -0.085 9.430 1.00 40.34 H new ATOM 0 HA3 GLY A 103 -10.779 -1.640 10.076 1.00 40.34 H new ATOM 1697 N TYR A 104 -9.297 -0.748 7.297 1.00 23.14 N ATOM 1698 CA TYR A 104 -8.028 -0.422 6.635 1.00 41.34 C ATOM 1699 C TYR A 104 -8.112 1.052 6.203 1.00 1.34 C ATOM 1700 O TYR A 104 -9.039 1.418 5.487 1.00 54.15 O ATOM 1701 CB TYR A 104 -7.779 -1.349 5.397 1.00 1.04 C ATOM 1702 CG TYR A 104 -8.063 -2.851 5.614 1.00 1.10 C ATOM 1703 CD1 TYR A 104 -7.737 -3.506 6.803 1.00 51.44 C ATOM 1704 CD2 TYR A 104 -8.684 -3.609 4.613 1.00 34.50 C ATOM 1705 CE1 TYR A 104 -8.018 -4.850 6.984 1.00 11.54 C ATOM 1706 CE2 TYR A 104 -8.967 -4.949 4.795 1.00 43.22 C ATOM 1707 CZ TYR A 104 -8.634 -5.562 5.981 1.00 41.41 C ATOM 1708 OH TYR A 104 -8.929 -6.894 6.173 1.00 3.23 O ATOM 0 H TYR A 104 -10.070 -0.905 6.650 1.00 23.14 H new ATOM 0 HA TYR A 104 -7.192 -0.581 7.317 1.00 41.34 H new ATOM 0 HB2 TYR A 104 -8.399 -0.997 4.573 1.00 1.04 H new ATOM 0 HB3 TYR A 104 -6.741 -1.236 5.086 1.00 1.04 H new ATOM 0 HD1 TYR A 104 -7.256 -2.954 7.597 1.00 51.44 H new ATOM 0 HD2 TYR A 104 -8.947 -3.136 3.679 1.00 34.50 H new ATOM 0 HE1 TYR A 104 -7.754 -5.338 7.911 1.00 11.54 H new ATOM 0 HE2 TYR A 104 -9.448 -5.513 4.009 1.00 43.22 H new ATOM 0 HH TYR A 104 -9.364 -7.252 5.371 1.00 3.23 H new ATOM 1718 N ASP A 105 -7.185 1.894 6.670 1.00 61.22 N ATOM 1719 CA ASP A 105 -7.195 3.346 6.381 1.00 55.21 C ATOM 1720 C ASP A 105 -6.856 3.602 4.891 1.00 45.43 C ATOM 1721 O ASP A 105 -5.699 3.503 4.496 1.00 65.25 O ATOM 1722 CB ASP A 105 -6.181 4.058 7.314 1.00 24.25 C ATOM 1723 CG ASP A 105 -6.174 5.592 7.172 1.00 14.41 C ATOM 1724 OD1 ASP A 105 -7.122 6.245 7.659 1.00 74.34 O ATOM 1725 OD2 ASP A 105 -5.212 6.152 6.609 1.00 62.24 O ATOM 0 H ASP A 105 -6.406 1.598 7.258 1.00 61.22 H new ATOM 0 HA ASP A 105 -8.190 3.749 6.568 1.00 55.21 H new ATOM 0 HB2 ASP A 105 -6.410 3.800 8.348 1.00 24.25 H new ATOM 0 HB3 ASP A 105 -5.181 3.679 7.104 1.00 24.25 H new ATOM 1730 N VAL A 106 -7.871 3.925 4.066 1.00 34.51 N ATOM 1731 CA VAL A 106 -7.709 3.997 2.596 1.00 72.24 C ATOM 1732 C VAL A 106 -7.527 5.445 2.117 1.00 41.12 C ATOM 1733 O VAL A 106 -8.202 6.345 2.598 1.00 40.30 O ATOM 1734 CB VAL A 106 -8.928 3.348 1.828 1.00 3.03 C ATOM 1735 CG1 VAL A 106 -8.682 3.304 0.298 1.00 41.11 C ATOM 1736 CG2 VAL A 106 -9.210 1.934 2.358 1.00 35.12 C ATOM 0 H VAL A 106 -8.814 4.141 4.391 1.00 34.51 H new ATOM 0 HA VAL A 106 -6.809 3.426 2.366 1.00 72.24 H new ATOM 0 HB VAL A 106 -9.800 3.976 2.010 1.00 3.03 H new ATOM 0 HG11 VAL A 106 -9.542 2.851 -0.196 1.00 41.11 H new ATOM 0 HG12 VAL A 106 -8.540 4.318 -0.077 1.00 41.11 H new ATOM 0 HG13 VAL A 106 -7.791 2.712 0.090 1.00 41.11 H new ATOM 0 HG21 VAL A 106 -10.053 1.504 1.817 1.00 35.12 H new ATOM 0 HG22 VAL A 106 -8.329 1.309 2.214 1.00 35.12 H new ATOM 0 HG23 VAL A 106 -9.449 1.985 3.420 1.00 35.12 H new ATOM 1746 N TYR A 107 -6.593 5.639 1.173 1.00 3.33 N ATOM 1747 CA TYR A 107 -6.413 6.898 0.434 1.00 63.54 C ATOM 1748 C TYR A 107 -6.814 6.678 -1.030 1.00 55.22 C ATOM 1749 O TYR A 107 -6.607 5.593 -1.584 1.00 12.32 O ATOM 1750 CB TYR A 107 -4.937 7.361 0.495 1.00 61.45 C ATOM 1751 CG TYR A 107 -4.476 7.824 1.888 1.00 4.42 C ATOM 1752 CD1 TYR A 107 -4.049 6.910 2.850 1.00 54.45 C ATOM 1753 CD2 TYR A 107 -4.476 9.171 2.239 1.00 50.30 C ATOM 1754 CE1 TYR A 107 -3.641 7.332 4.105 1.00 53.03 C ATOM 1755 CE2 TYR A 107 -4.072 9.591 3.487 1.00 64.01 C ATOM 1756 CZ TYR A 107 -3.656 8.668 4.415 1.00 4.31 C ATOM 1757 OH TYR A 107 -3.257 9.090 5.664 1.00 4.13 O ATOM 0 H TYR A 107 -5.931 4.914 0.897 1.00 3.33 H new ATOM 0 HA TYR A 107 -7.039 7.667 0.887 1.00 63.54 H new ATOM 0 HB2 TYR A 107 -4.297 6.541 0.167 1.00 61.45 H new ATOM 0 HB3 TYR A 107 -4.795 8.178 -0.212 1.00 61.45 H new ATOM 0 HD1 TYR A 107 -4.036 5.856 2.613 1.00 54.45 H new ATOM 0 HD2 TYR A 107 -4.801 9.904 1.516 1.00 50.30 H new ATOM 0 HE1 TYR A 107 -3.312 6.610 4.838 1.00 53.03 H new ATOM 0 HE2 TYR A 107 -4.082 10.642 3.735 1.00 64.01 H new ATOM 0 HH TYR A 107 -3.327 10.066 5.718 1.00 4.13 H new ATOM 1767 N THR A 108 -7.383 7.715 -1.646 1.00 4.23 N ATOM 1768 CA THR A 108 -7.732 7.725 -3.073 1.00 30.25 C ATOM 1769 C THR A 108 -6.782 8.674 -3.827 1.00 24.13 C ATOM 1770 O THR A 108 -6.394 9.728 -3.297 1.00 32.42 O ATOM 1771 CB THR A 108 -9.221 8.173 -3.277 1.00 72.34 C ATOM 1772 OG1 THR A 108 -9.434 9.478 -2.709 1.00 43.13 O ATOM 1773 CG2 THR A 108 -10.211 7.177 -2.641 1.00 43.21 C ATOM 0 H THR A 108 -7.618 8.583 -1.165 1.00 4.23 H new ATOM 0 HA THR A 108 -7.625 6.715 -3.470 1.00 30.25 H new ATOM 0 HB THR A 108 -9.404 8.202 -4.351 1.00 72.34 H new ATOM 0 HG1 THR A 108 -10.367 9.746 -2.845 1.00 43.13 H new ATOM 0 HG21 THR A 108 -11.231 7.524 -2.804 1.00 43.21 H new ATOM 0 HG22 THR A 108 -10.084 6.196 -3.098 1.00 43.21 H new ATOM 0 HG23 THR A 108 -10.019 7.107 -1.570 1.00 43.21 H new ATOM 1781 N SER A 109 -6.410 8.298 -5.058 1.00 42.21 N ATOM 1782 CA SER A 109 -5.557 9.122 -5.926 1.00 20.13 C ATOM 1783 C SER A 109 -5.918 8.882 -7.387 1.00 1.44 C ATOM 1784 O SER A 109 -6.108 7.742 -7.806 1.00 61.31 O ATOM 1785 CB SER A 109 -4.061 8.840 -5.665 1.00 22.35 C ATOM 1786 OG SER A 109 -3.764 7.459 -5.717 1.00 70.44 O ATOM 0 H SER A 109 -6.692 7.414 -5.481 1.00 42.21 H new ATOM 0 HA SER A 109 -5.733 10.172 -5.694 1.00 20.13 H new ATOM 0 HB2 SER A 109 -3.459 9.368 -6.404 1.00 22.35 H new ATOM 0 HB3 SER A 109 -3.783 9.234 -4.687 1.00 22.35 H new ATOM 0 HG SER A 109 -4.590 6.942 -5.609 1.00 70.44 H new ATOM 1792 N ARG A 110 -6.038 9.976 -8.140 1.00 43.22 N ATOM 1793 CA ARG A 110 -6.364 9.941 -9.574 1.00 21.11 C ATOM 1794 C ARG A 110 -5.205 9.353 -10.390 1.00 13.21 C ATOM 1795 O ARG A 110 -5.409 8.605 -11.354 1.00 50.14 O ATOM 1796 CB ARG A 110 -6.662 11.376 -10.069 1.00 72.33 C ATOM 1797 CG ARG A 110 -7.852 12.074 -9.379 1.00 4.00 C ATOM 1798 CD ARG A 110 -9.171 11.304 -9.484 1.00 75.04 C ATOM 1799 NE ARG A 110 -9.659 11.239 -10.859 1.00 50.43 N ATOM 1800 CZ ARG A 110 -10.803 10.661 -11.236 1.00 51.51 C ATOM 1801 NH1 ARG A 110 -11.606 10.062 -10.350 1.00 63.31 N ATOM 1802 NH2 ARG A 110 -11.159 10.699 -12.510 1.00 65.33 N ATOM 0 H ARG A 110 -5.912 10.920 -7.774 1.00 43.22 H new ATOM 0 HA ARG A 110 -7.240 9.307 -9.711 1.00 21.11 H new ATOM 0 HB2 ARG A 110 -5.770 11.986 -9.925 1.00 72.33 H new ATOM 0 HB3 ARG A 110 -6.854 11.341 -11.141 1.00 72.33 H new ATOM 0 HG2 ARG A 110 -7.612 12.222 -8.326 1.00 4.00 H new ATOM 0 HG3 ARG A 110 -7.984 13.063 -9.818 1.00 4.00 H new ATOM 0 HD2 ARG A 110 -9.032 10.293 -9.101 1.00 75.04 H new ATOM 0 HD3 ARG A 110 -9.921 11.783 -8.855 1.00 75.04 H new ATOM 0 HE ARG A 110 -9.084 11.666 -11.585 1.00 50.43 H new ATOM 0 HH11 ARG A 110 -11.350 10.040 -9.363 1.00 63.31 H new ATOM 0 HH12 ARG A 110 -12.475 9.627 -10.661 1.00 63.31 H new ATOM 0 HH21 ARG A 110 -10.562 11.166 -13.193 1.00 65.33 H new ATOM 0 HH22 ARG A 110 -12.030 10.261 -12.809 1.00 65.33 H new ATOM 1816 N ASN A 111 -3.983 9.692 -9.960 1.00 53.11 N ATOM 1817 CA ASN A 111 -2.762 9.510 -10.762 1.00 41.20 C ATOM 1818 C ASN A 111 -1.522 9.488 -9.851 1.00 3.33 C ATOM 1819 O ASN A 111 -1.644 9.607 -8.624 1.00 10.31 O ATOM 1820 CB ASN A 111 -2.686 10.638 -11.834 1.00 12.33 C ATOM 1821 CG ASN A 111 -2.765 12.038 -11.218 1.00 74.13 C ATOM 1822 OD1 ASN A 111 -3.835 12.615 -11.091 1.00 41.42 O ATOM 1823 ND2 ASN A 111 -1.637 12.571 -10.809 1.00 64.25 N ATOM 0 H ASN A 111 -3.811 10.102 -9.042 1.00 53.11 H new ATOM 0 HA ASN A 111 -2.791 8.551 -11.279 1.00 41.20 H new ATOM 0 HB2 ASN A 111 -1.755 10.542 -12.392 1.00 12.33 H new ATOM 0 HB3 ASN A 111 -3.500 10.512 -12.548 1.00 12.33 H new ATOM 0 HD21 ASN A 111 -1.638 13.492 -10.371 1.00 64.25 H new ATOM 0 HD22 ASN A 111 -0.760 12.064 -10.929 1.00 64.25 H new ATOM 1830 N GLU A 112 -0.337 9.329 -10.480 1.00 4.13 N ATOM 1831 CA GLU A 112 0.971 9.158 -9.804 1.00 70.24 C ATOM 1832 C GLU A 112 1.343 10.344 -8.896 1.00 3.02 C ATOM 1833 O GLU A 112 1.807 10.129 -7.775 1.00 41.44 O ATOM 1834 CB GLU A 112 2.075 8.881 -10.890 1.00 72.44 C ATOM 1835 CG GLU A 112 3.561 8.889 -10.409 1.00 35.14 C ATOM 1836 CD GLU A 112 4.349 10.128 -10.894 1.00 31.24 C ATOM 1837 OE1 GLU A 112 4.286 11.182 -10.226 1.00 43.11 O ATOM 1838 OE2 GLU A 112 5.021 10.054 -11.945 1.00 65.15 O ATOM 0 H GLU A 112 -0.260 9.315 -11.497 1.00 4.13 H new ATOM 0 HA GLU A 112 0.897 8.302 -9.133 1.00 70.24 H new ATOM 0 HB2 GLU A 112 1.870 7.910 -11.341 1.00 72.44 H new ATOM 0 HB3 GLU A 112 1.970 9.627 -11.678 1.00 72.44 H new ATOM 0 HG2 GLU A 112 3.584 8.855 -9.320 1.00 35.14 H new ATOM 0 HG3 GLU A 112 4.057 7.987 -10.767 1.00 35.14 H new ATOM 1845 N ASP A 113 1.125 11.584 -9.378 1.00 35.31 N ATOM 1846 CA ASP A 113 1.430 12.818 -8.604 1.00 53.11 C ATOM 1847 C ASP A 113 0.684 12.848 -7.252 1.00 2.22 C ATOM 1848 O ASP A 113 1.254 13.224 -6.218 1.00 71.00 O ATOM 1849 CB ASP A 113 1.061 14.087 -9.409 1.00 4.54 C ATOM 1850 CG ASP A 113 1.858 14.242 -10.714 1.00 23.03 C ATOM 1851 OD1 ASP A 113 2.985 14.779 -10.679 1.00 30.24 O ATOM 1852 OD2 ASP A 113 1.358 13.829 -11.779 1.00 35.54 O ATOM 0 H ASP A 113 0.737 11.764 -10.304 1.00 35.31 H new ATOM 0 HA ASP A 113 2.503 12.806 -8.413 1.00 53.11 H new ATOM 0 HB2 ASP A 113 -0.003 14.061 -9.644 1.00 4.54 H new ATOM 0 HB3 ASP A 113 1.228 14.965 -8.785 1.00 4.54 H new ATOM 1857 N GLU A 114 -0.597 12.441 -7.287 1.00 43.22 N ATOM 1858 CA GLU A 114 -1.449 12.396 -6.082 1.00 22.33 C ATOM 1859 C GLU A 114 -1.029 11.252 -5.149 1.00 50.12 C ATOM 1860 O GLU A 114 -0.879 11.455 -3.939 1.00 60.44 O ATOM 1861 CB GLU A 114 -2.938 12.256 -6.483 1.00 40.43 C ATOM 1862 CG GLU A 114 -3.493 13.458 -7.277 1.00 31.23 C ATOM 1863 CD GLU A 114 -5.029 13.480 -7.413 1.00 23.12 C ATOM 1864 OE1 GLU A 114 -5.725 12.680 -6.734 1.00 2.12 O ATOM 1865 OE2 GLU A 114 -5.550 14.315 -8.188 1.00 10.41 O ATOM 0 H GLU A 114 -1.068 12.137 -8.139 1.00 43.22 H new ATOM 0 HA GLU A 114 -1.320 13.332 -5.539 1.00 22.33 H new ATOM 0 HB2 GLU A 114 -3.059 11.353 -7.081 1.00 40.43 H new ATOM 0 HB3 GLU A 114 -3.535 12.123 -5.581 1.00 40.43 H new ATOM 0 HG2 GLU A 114 -3.171 14.379 -6.791 1.00 31.23 H new ATOM 0 HG3 GLU A 114 -3.053 13.453 -8.274 1.00 31.23 H new ATOM 1872 N ALA A 115 -0.808 10.072 -5.740 1.00 53.31 N ATOM 1873 CA ALA A 115 -0.433 8.846 -5.014 1.00 32.05 C ATOM 1874 C ALA A 115 0.901 9.012 -4.271 1.00 73.21 C ATOM 1875 O ALA A 115 1.102 8.438 -3.209 1.00 71.25 O ATOM 1876 CB ALA A 115 -0.339 7.688 -6.001 1.00 64.31 C ATOM 0 H ALA A 115 -0.885 9.937 -6.748 1.00 53.31 H new ATOM 0 HA ALA A 115 -1.201 8.641 -4.268 1.00 32.05 H new ATOM 0 HB1 ALA A 115 -0.062 6.778 -5.469 1.00 64.31 H new ATOM 0 HB2 ALA A 115 -1.304 7.545 -6.487 1.00 64.31 H new ATOM 0 HB3 ALA A 115 0.416 7.912 -6.754 1.00 64.31 H new ATOM 1882 N LYS A 116 1.778 9.823 -4.866 1.00 44.12 N ATOM 1883 CA LYS A 116 3.118 10.147 -4.349 1.00 44.04 C ATOM 1884 C LYS A 116 3.030 10.857 -2.985 1.00 44.53 C ATOM 1885 O LYS A 116 3.748 10.513 -2.037 1.00 4.21 O ATOM 1886 CB LYS A 116 3.818 11.036 -5.411 1.00 65.31 C ATOM 1887 CG LYS A 116 5.241 11.515 -5.070 1.00 70.23 C ATOM 1888 CD LYS A 116 5.902 12.242 -6.267 1.00 64.41 C ATOM 1889 CE LYS A 116 6.084 11.343 -7.505 1.00 42.41 C ATOM 1890 NZ LYS A 116 6.630 12.094 -8.675 1.00 15.24 N ATOM 0 H LYS A 116 1.573 10.290 -5.750 1.00 44.12 H new ATOM 0 HA LYS A 116 3.695 9.237 -4.181 1.00 44.04 H new ATOM 0 HB2 LYS A 116 3.859 10.481 -6.348 1.00 65.31 H new ATOM 0 HB3 LYS A 116 3.195 11.913 -5.587 1.00 65.31 H new ATOM 0 HG2 LYS A 116 5.203 12.186 -4.212 1.00 70.23 H new ATOM 0 HG3 LYS A 116 5.853 10.661 -4.780 1.00 70.23 H new ATOM 0 HD2 LYS A 116 5.293 13.104 -6.540 1.00 64.41 H new ATOM 0 HD3 LYS A 116 6.875 12.624 -5.958 1.00 64.41 H new ATOM 0 HE2 LYS A 116 6.755 10.520 -7.259 1.00 42.41 H new ATOM 0 HE3 LYS A 116 5.125 10.901 -7.775 1.00 42.41 H new ATOM 0 HZ1 LYS A 116 5.997 11.973 -9.491 1.00 15.24 H new ATOM 0 HZ2 LYS A 116 6.699 13.104 -8.438 1.00 15.24 H new ATOM 0 HZ3 LYS A 116 7.574 11.729 -8.912 1.00 15.24 H new ATOM 1904 N LYS A 117 2.100 11.821 -2.907 1.00 40.44 N ATOM 1905 CA LYS A 117 1.875 12.647 -1.705 1.00 22.12 C ATOM 1906 C LYS A 117 1.127 11.834 -0.630 1.00 43.23 C ATOM 1907 O LYS A 117 1.486 11.855 0.555 1.00 1.14 O ATOM 1908 CB LYS A 117 1.060 13.912 -2.094 1.00 14.41 C ATOM 1909 CG LYS A 117 1.688 14.761 -3.225 1.00 34.23 C ATOM 1910 CD LYS A 117 0.850 16.012 -3.572 1.00 23.50 C ATOM 1911 CE LYS A 117 0.699 16.972 -2.379 1.00 64.35 C ATOM 1912 NZ LYS A 117 2.017 17.405 -1.833 1.00 44.43 N ATOM 0 H LYS A 117 1.477 12.053 -3.681 1.00 40.44 H new ATOM 0 HA LYS A 117 2.836 12.954 -1.293 1.00 22.12 H new ATOM 0 HB2 LYS A 117 0.061 13.604 -2.401 1.00 14.41 H new ATOM 0 HB3 LYS A 117 0.943 14.539 -1.210 1.00 14.41 H new ATOM 0 HG2 LYS A 117 2.689 15.072 -2.926 1.00 34.23 H new ATOM 0 HG3 LYS A 117 1.798 14.145 -4.117 1.00 34.23 H new ATOM 0 HD2 LYS A 117 1.319 16.540 -4.402 1.00 23.50 H new ATOM 0 HD3 LYS A 117 -0.138 15.701 -3.910 1.00 23.50 H new ATOM 0 HE2 LYS A 117 0.131 17.849 -2.690 1.00 64.35 H new ATOM 0 HE3 LYS A 117 0.125 16.483 -1.592 1.00 64.35 H new ATOM 0 HZ1 LYS A 117 1.871 18.151 -1.124 1.00 44.43 H new ATOM 0 HZ2 LYS A 117 2.492 16.594 -1.389 1.00 44.43 H new ATOM 0 HZ3 LYS A 117 2.609 17.773 -2.605 1.00 44.43 H new ATOM 1926 N LYS A 118 0.100 11.097 -1.089 1.00 42.33 N ATOM 1927 CA LYS A 118 -0.777 10.268 -0.241 1.00 33.22 C ATOM 1928 C LYS A 118 -0.029 9.061 0.363 1.00 62.32 C ATOM 1929 O LYS A 118 -0.438 8.535 1.410 1.00 71.23 O ATOM 1930 CB LYS A 118 -2.019 9.819 -1.059 1.00 62.45 C ATOM 1931 CG LYS A 118 -2.981 10.976 -1.420 1.00 63.53 C ATOM 1932 CD LYS A 118 -3.664 11.590 -0.172 1.00 73.51 C ATOM 1933 CE LYS A 118 -4.492 12.848 -0.483 1.00 25.12 C ATOM 1934 NZ LYS A 118 -3.641 14.043 -0.710 1.00 60.53 N ATOM 0 H LYS A 118 -0.149 11.060 -2.077 1.00 42.33 H new ATOM 0 HA LYS A 118 -1.109 10.873 0.603 1.00 33.22 H new ATOM 0 HB2 LYS A 118 -1.683 9.338 -1.978 1.00 62.45 H new ATOM 0 HB3 LYS A 118 -2.566 9.069 -0.488 1.00 62.45 H new ATOM 0 HG2 LYS A 118 -2.428 11.753 -1.947 1.00 63.53 H new ATOM 0 HG3 LYS A 118 -3.745 10.609 -2.105 1.00 63.53 H new ATOM 0 HD2 LYS A 118 -4.312 10.841 0.283 1.00 73.51 H new ATOM 0 HD3 LYS A 118 -2.900 11.840 0.564 1.00 73.51 H new ATOM 0 HE2 LYS A 118 -5.104 12.668 -1.367 1.00 25.12 H new ATOM 0 HE3 LYS A 118 -5.175 13.043 0.343 1.00 25.12 H new ATOM 0 HZ1 LYS A 118 -4.244 14.865 -0.916 1.00 60.53 H new ATOM 0 HZ2 LYS A 118 -3.075 14.233 0.142 1.00 60.53 H new ATOM 0 HZ3 LYS A 118 -3.006 13.869 -1.515 1.00 60.53 H new ATOM 1948 N LEU A 119 1.047 8.624 -0.311 1.00 71.33 N ATOM 1949 CA LEU A 119 1.916 7.542 0.175 1.00 53.34 C ATOM 1950 C LEU A 119 2.748 8.047 1.367 1.00 73.33 C ATOM 1951 O LEU A 119 2.849 7.366 2.403 1.00 53.53 O ATOM 1952 CB LEU A 119 2.811 7.001 -0.989 1.00 51.13 C ATOM 1953 CG LEU A 119 3.218 5.494 -0.925 1.00 74.13 C ATOM 1954 CD1 LEU A 119 3.908 5.057 -2.233 1.00 5.44 C ATOM 1955 CD2 LEU A 119 4.097 5.186 0.300 1.00 14.03 C ATOM 0 H LEU A 119 1.338 9.012 -1.208 1.00 71.33 H new ATOM 0 HA LEU A 119 1.309 6.706 0.524 1.00 53.34 H new ATOM 0 HB2 LEU A 119 2.285 7.171 -1.929 1.00 51.13 H new ATOM 0 HB3 LEU A 119 3.723 7.598 -1.022 1.00 51.13 H new ATOM 0 HG LEU A 119 2.303 4.913 -0.813 1.00 74.13 H new ATOM 0 HD11 LEU A 119 4.182 4.004 -2.165 1.00 5.44 H new ATOM 0 HD12 LEU A 119 3.225 5.201 -3.070 1.00 5.44 H new ATOM 0 HD13 LEU A 119 4.805 5.656 -2.389 1.00 5.44 H new ATOM 0 HD21 LEU A 119 4.356 4.127 0.305 1.00 14.03 H new ATOM 0 HD22 LEU A 119 5.008 5.783 0.253 1.00 14.03 H new ATOM 0 HD23 LEU A 119 3.550 5.430 1.211 1.00 14.03 H new ATOM 1967 N LYS A 120 3.309 9.253 1.218 1.00 31.12 N ATOM 1968 CA LYS A 120 4.129 9.891 2.260 1.00 72.05 C ATOM 1969 C LYS A 120 3.315 10.180 3.543 1.00 53.33 C ATOM 1970 O LYS A 120 3.890 10.204 4.620 1.00 43.21 O ATOM 1971 CB LYS A 120 4.806 11.167 1.720 1.00 64.24 C ATOM 1972 CG LYS A 120 5.819 10.922 0.578 1.00 40.23 C ATOM 1973 CD LYS A 120 6.539 12.225 0.158 1.00 71.42 C ATOM 1974 CE LYS A 120 7.519 12.026 -1.008 1.00 32.03 C ATOM 1975 NZ LYS A 120 8.247 13.289 -1.338 1.00 32.35 N ATOM 0 H LYS A 120 3.209 9.815 0.373 1.00 31.12 H new ATOM 0 HA LYS A 120 4.912 9.186 2.538 1.00 72.05 H new ATOM 0 HB2 LYS A 120 4.034 11.849 1.364 1.00 64.24 H new ATOM 0 HB3 LYS A 120 5.318 11.667 2.542 1.00 64.24 H new ATOM 0 HG2 LYS A 120 6.557 10.186 0.898 1.00 40.23 H new ATOM 0 HG3 LYS A 120 5.301 10.500 -0.283 1.00 40.23 H new ATOM 0 HD2 LYS A 120 5.794 12.969 -0.125 1.00 71.42 H new ATOM 0 HD3 LYS A 120 7.081 12.626 1.015 1.00 71.42 H new ATOM 0 HE2 LYS A 120 8.238 11.248 -0.751 1.00 32.03 H new ATOM 0 HE3 LYS A 120 6.974 11.679 -1.886 1.00 32.03 H new ATOM 0 HZ1 LYS A 120 8.899 13.117 -2.129 1.00 32.35 H new ATOM 0 HZ2 LYS A 120 7.562 14.024 -1.607 1.00 32.35 H new ATOM 0 HZ3 LYS A 120 8.786 13.606 -0.507 1.00 32.35 H new ATOM 1989 N GLU A 121 1.988 10.398 3.404 1.00 22.43 N ATOM 1990 CA GLU A 121 1.058 10.522 4.569 1.00 73.32 C ATOM 1991 C GLU A 121 1.182 9.306 5.515 1.00 24.04 C ATOM 1992 O GLU A 121 1.288 9.455 6.740 1.00 42.32 O ATOM 1993 CB GLU A 121 -0.415 10.631 4.088 1.00 1.22 C ATOM 1994 CG GLU A 121 -0.698 11.788 3.117 1.00 3.15 C ATOM 1995 CD GLU A 121 -0.422 13.186 3.696 1.00 13.21 C ATOM 1996 OE1 GLU A 121 -1.082 13.567 4.686 1.00 74.55 O ATOM 1997 OE2 GLU A 121 0.410 13.922 3.127 1.00 65.53 O ATOM 0 H GLU A 121 1.528 10.493 2.498 1.00 22.43 H new ATOM 0 HA GLU A 121 1.337 11.427 5.108 1.00 73.32 H new ATOM 0 HB2 GLU A 121 -0.694 9.695 3.605 1.00 1.22 H new ATOM 0 HB3 GLU A 121 -1.059 10.743 4.960 1.00 1.22 H new ATOM 0 HG2 GLU A 121 -0.090 11.652 2.222 1.00 3.15 H new ATOM 0 HG3 GLU A 121 -1.741 11.737 2.805 1.00 3.15 H new ATOM 2004 N ALA A 122 1.188 8.110 4.905 1.00 50.45 N ATOM 2005 CA ALA A 122 1.289 6.821 5.617 1.00 73.21 C ATOM 2006 C ALA A 122 2.705 6.592 6.180 1.00 11.20 C ATOM 2007 O ALA A 122 2.865 5.984 7.250 1.00 10.43 O ATOM 2008 CB ALA A 122 0.891 5.691 4.665 1.00 70.43 C ATOM 0 H ALA A 122 1.122 8.007 3.892 1.00 50.45 H new ATOM 0 HA ALA A 122 0.609 6.837 6.469 1.00 73.21 H new ATOM 0 HB1 ALA A 122 0.963 4.735 5.184 1.00 70.43 H new ATOM 0 HB2 ALA A 122 -0.134 5.844 4.327 1.00 70.43 H new ATOM 0 HB3 ALA A 122 1.560 5.688 3.804 1.00 70.43 H new ATOM 2014 N LEU A 123 3.727 7.077 5.440 1.00 22.23 N ATOM 2015 CA LEU A 123 5.135 7.055 5.898 1.00 15.23 C ATOM 2016 C LEU A 123 5.306 7.926 7.164 1.00 14.34 C ATOM 2017 O LEU A 123 6.014 7.558 8.098 1.00 50.21 O ATOM 2018 CB LEU A 123 6.090 7.529 4.761 1.00 24.02 C ATOM 2019 CG LEU A 123 6.148 6.606 3.497 1.00 24.24 C ATOM 2020 CD1 LEU A 123 7.025 7.220 2.381 1.00 75.31 C ATOM 2021 CD2 LEU A 123 6.636 5.184 3.860 1.00 53.51 C ATOM 0 H LEU A 123 3.601 7.491 4.516 1.00 22.23 H new ATOM 0 HA LEU A 123 5.400 6.029 6.154 1.00 15.23 H new ATOM 0 HB2 LEU A 123 5.784 8.527 4.446 1.00 24.02 H new ATOM 0 HB3 LEU A 123 7.096 7.618 5.170 1.00 24.02 H new ATOM 0 HG LEU A 123 5.131 6.526 3.112 1.00 24.24 H new ATOM 0 HD11 LEU A 123 7.041 6.551 1.521 1.00 75.31 H new ATOM 0 HD12 LEU A 123 6.613 8.184 2.083 1.00 75.31 H new ATOM 0 HD13 LEU A 123 8.041 7.359 2.751 1.00 75.31 H new ATOM 0 HD21 LEU A 123 6.665 4.569 2.961 1.00 53.51 H new ATOM 0 HD22 LEU A 123 7.635 5.241 4.293 1.00 53.51 H new ATOM 0 HD23 LEU A 123 5.953 4.738 4.583 1.00 53.51 H new ATOM 2033 N GLU A 124 4.601 9.061 7.192 1.00 32.10 N ATOM 2034 CA GLU A 124 4.614 10.007 8.326 1.00 70.13 C ATOM 2035 C GLU A 124 3.910 9.413 9.569 1.00 52.35 C ATOM 2036 O GLU A 124 4.353 9.639 10.700 1.00 34.53 O ATOM 2037 CB GLU A 124 3.965 11.353 7.895 1.00 24.32 C ATOM 2038 CG GLU A 124 4.813 12.163 6.889 1.00 73.30 C ATOM 2039 CD GLU A 124 4.099 13.427 6.386 1.00 54.24 C ATOM 2040 OE1 GLU A 124 4.059 14.441 7.119 1.00 41.51 O ATOM 2041 OE2 GLU A 124 3.550 13.401 5.261 1.00 30.14 O ATOM 0 H GLU A 124 3.998 9.357 6.424 1.00 32.10 H new ATOM 0 HA GLU A 124 5.650 10.194 8.610 1.00 70.13 H new ATOM 0 HB2 GLU A 124 2.990 11.150 7.452 1.00 24.32 H new ATOM 0 HB3 GLU A 124 3.792 11.962 8.782 1.00 24.32 H new ATOM 0 HG2 GLU A 124 5.754 12.447 7.360 1.00 73.30 H new ATOM 0 HG3 GLU A 124 5.061 11.529 6.038 1.00 73.30 H new ATOM 2048 N LYS A 125 2.833 8.634 9.336 1.00 11.15 N ATOM 2049 CA LYS A 125 2.077 7.960 10.419 1.00 53.34 C ATOM 2050 C LYS A 125 2.918 6.851 11.090 1.00 45.12 C ATOM 2051 O LYS A 125 2.795 6.605 12.291 1.00 74.50 O ATOM 2052 CB LYS A 125 0.751 7.350 9.866 1.00 73.21 C ATOM 2053 CG LYS A 125 -0.326 8.387 9.468 1.00 53.01 C ATOM 2054 CD LYS A 125 -1.640 7.707 8.995 1.00 2.34 C ATOM 2055 CE LYS A 125 -2.782 8.707 8.754 1.00 41.53 C ATOM 2056 NZ LYS A 125 -4.044 8.036 8.300 1.00 33.20 N ATOM 0 H LYS A 125 2.464 8.454 8.402 1.00 11.15 H new ATOM 0 HA LYS A 125 1.841 8.715 11.169 1.00 53.34 H new ATOM 0 HB2 LYS A 125 0.985 6.738 8.995 1.00 73.21 H new ATOM 0 HB3 LYS A 125 0.332 6.684 10.620 1.00 73.21 H new ATOM 0 HG2 LYS A 125 -0.538 9.034 10.319 1.00 53.01 H new ATOM 0 HG3 LYS A 125 0.060 9.024 8.672 1.00 53.01 H new ATOM 0 HD2 LYS A 125 -1.446 7.157 8.074 1.00 2.34 H new ATOM 0 HD3 LYS A 125 -1.955 6.978 9.742 1.00 2.34 H new ATOM 0 HE2 LYS A 125 -2.978 9.259 9.673 1.00 41.53 H new ATOM 0 HE3 LYS A 125 -2.471 9.435 8.005 1.00 41.53 H new ATOM 0 HZ1 LYS A 125 -4.855 8.439 8.812 1.00 33.20 H new ATOM 0 HZ2 LYS A 125 -4.169 8.187 7.279 1.00 33.20 H new ATOM 0 HZ3 LYS A 125 -3.984 7.016 8.494 1.00 33.20 H new ATOM 2070 N SER A 126 3.766 6.202 10.292 1.00 15.45 N ATOM 2071 CA SER A 126 4.629 5.094 10.747 1.00 11.34 C ATOM 2072 C SER A 126 5.943 5.595 11.384 1.00 23.43 C ATOM 2073 O SER A 126 6.676 4.813 12.013 1.00 43.12 O ATOM 2074 CB SER A 126 4.910 4.176 9.554 1.00 23.04 C ATOM 2075 OG SER A 126 5.424 4.900 8.458 1.00 61.33 O ATOM 0 H SER A 126 3.880 6.426 9.303 1.00 15.45 H new ATOM 0 HA SER A 126 4.107 4.543 11.529 1.00 11.34 H new ATOM 0 HB2 SER A 126 5.621 3.403 9.847 1.00 23.04 H new ATOM 0 HB3 SER A 126 3.991 3.669 9.259 1.00 23.04 H new ATOM 0 HG SER A 126 5.652 5.809 8.744 1.00 61.33 H new ATOM 2081 N GLY A 127 6.240 6.895 11.200 1.00 63.34 N ATOM 2082 CA GLY A 127 7.392 7.540 11.847 1.00 44.35 C ATOM 2083 C GLY A 127 8.559 7.812 10.907 1.00 74.30 C ATOM 2084 O GLY A 127 9.615 8.288 11.356 1.00 43.14 O ATOM 0 H GLY A 127 5.694 7.519 10.606 1.00 63.34 H new ATOM 0 HA2 GLY A 127 7.067 8.482 12.288 1.00 44.35 H new ATOM 0 HA3 GLY A 127 7.737 6.907 12.665 1.00 44.35 H new ATOM 2088 N SER A 128 8.383 7.511 9.609 1.00 21.24 N ATOM 2089 CA SER A 128 9.316 7.938 8.558 1.00 61.33 C ATOM 2090 C SER A 128 9.073 9.437 8.254 1.00 60.14 C ATOM 2091 O SER A 128 8.409 9.805 7.279 1.00 53.01 O ATOM 2092 CB SER A 128 9.148 7.056 7.294 1.00 32.30 C ATOM 2093 OG SER A 128 9.334 5.677 7.594 1.00 44.44 O ATOM 0 H SER A 128 7.593 6.967 9.262 1.00 21.24 H new ATOM 0 HA SER A 128 10.345 7.814 8.896 1.00 61.33 H new ATOM 0 HB2 SER A 128 8.154 7.207 6.872 1.00 32.30 H new ATOM 0 HB3 SER A 128 9.867 7.365 6.535 1.00 32.30 H new ATOM 0 HG SER A 128 10.266 5.428 7.423 1.00 44.44 H new ATOM 2099 N LEU A 129 9.559 10.279 9.173 1.00 11.11 N ATOM 2100 CA LEU A 129 9.433 11.744 9.112 1.00 23.11 C ATOM 2101 C LEU A 129 10.732 12.357 8.581 1.00 60.43 C ATOM 2102 O LEU A 129 11.825 11.894 8.924 1.00 31.31 O ATOM 2103 CB LEU A 129 9.134 12.301 10.538 1.00 74.42 C ATOM 2104 CG LEU A 129 7.750 11.910 11.147 1.00 52.12 C ATOM 2105 CD1 LEU A 129 7.654 12.289 12.646 1.00 74.21 C ATOM 2106 CD2 LEU A 129 6.606 12.554 10.341 1.00 13.14 C ATOM 0 H LEU A 129 10.062 9.956 9.999 1.00 11.11 H new ATOM 0 HA LEU A 129 8.615 12.006 8.441 1.00 23.11 H new ATOM 0 HB2 LEU A 129 9.917 11.956 11.213 1.00 74.42 H new ATOM 0 HB3 LEU A 129 9.200 13.388 10.503 1.00 74.42 H new ATOM 0 HG LEU A 129 7.653 10.826 11.082 1.00 52.12 H new ATOM 0 HD11 LEU A 129 6.676 12.001 13.032 1.00 74.21 H new ATOM 0 HD12 LEU A 129 8.433 11.768 13.204 1.00 74.21 H new ATOM 0 HD13 LEU A 129 7.785 13.365 12.758 1.00 74.21 H new ATOM 0 HD21 LEU A 129 5.649 12.271 10.779 1.00 13.14 H new ATOM 0 HD22 LEU A 129 6.710 13.639 10.365 1.00 13.14 H new ATOM 0 HD23 LEU A 129 6.649 12.208 9.308 1.00 13.14 H new ATOM 2118 N GLU A 130 10.608 13.395 7.747 1.00 72.20 N ATOM 2119 CA GLU A 130 11.750 14.216 7.311 1.00 52.02 C ATOM 2120 C GLU A 130 11.651 15.613 7.955 1.00 61.43 C ATOM 2121 O GLU A 130 10.547 16.121 8.205 1.00 35.11 O ATOM 2122 CB GLU A 130 11.784 14.356 5.766 1.00 2.43 C ATOM 2123 CG GLU A 130 13.087 15.010 5.227 1.00 73.50 C ATOM 2124 CD GLU A 130 12.934 15.664 3.849 1.00 53.13 C ATOM 2125 OE1 GLU A 130 12.416 16.791 3.785 1.00 32.11 O ATOM 2126 OE2 GLU A 130 13.362 15.074 2.841 1.00 73.33 O ATOM 0 H GLU A 130 9.715 13.692 7.354 1.00 72.20 H new ATOM 0 HA GLU A 130 12.669 13.723 7.628 1.00 52.02 H new ATOM 0 HB2 GLU A 130 11.671 13.369 5.318 1.00 2.43 H new ATOM 0 HB3 GLU A 130 10.929 14.951 5.445 1.00 2.43 H new ATOM 0 HG2 GLU A 130 13.425 15.763 5.939 1.00 73.50 H new ATOM 0 HG3 GLU A 130 13.867 14.250 5.172 1.00 73.50 H new ATOM 2133 N HIS A 131 12.817 16.221 8.209 1.00 22.34 N ATOM 2134 CA HIS A 131 12.937 17.568 8.803 1.00 0.13 C ATOM 2135 C HIS A 131 13.897 18.456 7.988 1.00 62.43 C ATOM 2136 O HIS A 131 14.199 19.585 8.399 1.00 71.44 O ATOM 2137 CB HIS A 131 13.404 17.428 10.276 1.00 74.22 C ATOM 2138 CG HIS A 131 14.661 16.608 10.456 1.00 71.43 C ATOM 2139 ND1 HIS A 131 14.602 15.244 10.603 1.00 42.55 N ATOM 2140 CD2 HIS A 131 15.960 16.996 10.506 1.00 74.02 C ATOM 2141 CE1 HIS A 131 15.851 14.837 10.738 1.00 11.24 C ATOM 2142 NE2 HIS A 131 16.711 15.863 10.688 1.00 3.12 N ATOM 0 H HIS A 131 13.719 15.789 8.007 1.00 22.34 H new ATOM 0 HA HIS A 131 11.964 18.060 8.782 1.00 0.13 H new ATOM 0 HB2 HIS A 131 13.572 18.423 10.688 1.00 74.22 H new ATOM 0 HB3 HIS A 131 12.602 16.974 10.857 1.00 74.22 H new ATOM 0 HD2 HIS A 131 16.332 18.006 10.419 1.00 74.02 H new ATOM 0 HE1 HIS A 131 16.143 13.806 10.872 1.00 11.24 H new ATOM 0 HE2 HIS A 131 17.726 15.812 10.769 1.00 3.12 H new ATOM 2150 N HIS A 132 14.352 17.958 6.822 1.00 55.14 N ATOM 2151 CA HIS A 132 15.385 18.634 6.019 1.00 31.31 C ATOM 2152 C HIS A 132 14.768 19.787 5.215 1.00 64.12 C ATOM 2153 O HIS A 132 15.136 20.952 5.398 1.00 50.15 O ATOM 2154 CB HIS A 132 16.110 17.629 5.084 1.00 10.12 C ATOM 2155 CG HIS A 132 17.347 18.194 4.406 1.00 65.14 C ATOM 2156 ND1 HIS A 132 18.562 18.232 5.058 1.00 33.02 N ATOM 2157 CD2 HIS A 132 17.497 18.761 3.182 1.00 30.42 C ATOM 2158 CE1 HIS A 132 19.405 18.828 4.225 1.00 24.41 C ATOM 2159 NE2 HIS A 132 18.802 19.164 3.080 1.00 33.30 N ATOM 0 H HIS A 132 14.017 17.085 6.415 1.00 55.14 H new ATOM 0 HA HIS A 132 16.129 19.050 6.698 1.00 31.31 H new ATOM 0 HB2 HIS A 132 16.395 16.751 5.663 1.00 10.12 H new ATOM 0 HB3 HIS A 132 15.411 17.292 4.318 1.00 10.12 H new ATOM 0 HD2 HIS A 132 16.731 18.873 2.429 1.00 30.42 H new ATOM 0 HE1 HIS A 132 20.445 19.018 4.444 1.00 24.41 H new ATOM 0 HE2 HIS A 132 19.232 19.632 2.282 1.00 33.30 H new ATOM 2167 N HIS A 133 13.809 19.454 4.329 1.00 32.03 N ATOM 2168 CA HIS A 133 13.129 20.436 3.465 1.00 61.44 C ATOM 2169 C HIS A 133 11.928 21.028 4.226 1.00 23.55 C ATOM 2170 O HIS A 133 10.761 20.790 3.884 1.00 44.52 O ATOM 2171 CB HIS A 133 12.698 19.777 2.129 1.00 74.20 C ATOM 2172 CG HIS A 133 13.806 19.040 1.414 1.00 1.22 C ATOM 2173 ND1 HIS A 133 13.889 17.667 1.362 1.00 63.20 N ATOM 2174 CD2 HIS A 133 14.880 19.494 0.724 1.00 35.34 C ATOM 2175 CE1 HIS A 133 14.957 17.307 0.684 1.00 74.41 C ATOM 2176 NE2 HIS A 133 15.577 18.394 0.287 1.00 14.23 N ATOM 0 H HIS A 133 13.485 18.497 4.193 1.00 32.03 H new ATOM 0 HA HIS A 133 13.813 21.247 3.214 1.00 61.44 H new ATOM 0 HB2 HIS A 133 11.883 19.081 2.327 1.00 74.20 H new ATOM 0 HB3 HIS A 133 12.304 20.548 1.467 1.00 74.20 H new ATOM 0 HD2 HIS A 133 15.140 20.528 0.550 1.00 35.34 H new ATOM 0 HE1 HIS A 133 15.270 16.292 0.488 1.00 74.41 H new ATOM 0 HE2 HIS A 133 16.438 18.418 -0.259 1.00 14.23 H new ATOM 2185 N HIS A 134 12.244 21.774 5.297 1.00 61.54 N ATOM 2186 CA HIS A 134 11.246 22.402 6.189 1.00 53.04 C ATOM 2187 C HIS A 134 10.601 23.628 5.509 1.00 75.12 C ATOM 2188 O HIS A 134 9.503 24.049 5.872 1.00 22.13 O ATOM 2189 CB HIS A 134 11.935 22.776 7.528 1.00 43.05 C ATOM 2190 CG HIS A 134 11.047 23.443 8.552 1.00 64.24 C ATOM 2191 ND1 HIS A 134 11.314 24.690 9.087 1.00 33.11 N ATOM 2192 CD2 HIS A 134 9.903 23.024 9.150 1.00 31.53 C ATOM 2193 CE1 HIS A 134 10.372 25.009 9.951 1.00 50.24 C ATOM 2194 NE2 HIS A 134 9.504 24.023 10.008 1.00 72.42 N ATOM 0 H HIS A 134 13.208 21.962 5.574 1.00 61.54 H new ATOM 0 HA HIS A 134 10.439 21.699 6.397 1.00 53.04 H new ATOM 0 HB2 HIS A 134 12.350 21.870 7.968 1.00 43.05 H new ATOM 0 HB3 HIS A 134 12.773 23.439 7.313 1.00 43.05 H new ATOM 0 HD2 HIS A 134 9.400 22.083 8.984 1.00 31.53 H new ATOM 0 HE1 HIS A 134 10.321 25.927 10.518 1.00 50.24 H new ATOM 0 HE2 HIS A 134 8.669 24.002 10.594 1.00 72.42 H new ATOM 2203 N HIS A 135 11.308 24.196 4.522 1.00 2.22 N ATOM 2204 CA HIS A 135 10.800 25.272 3.660 1.00 14.52 C ATOM 2205 C HIS A 135 10.865 24.805 2.193 1.00 31.31 C ATOM 2206 O HIS A 135 9.843 24.755 1.504 1.00 63.30 O ATOM 2207 CB HIS A 135 11.615 26.586 3.857 1.00 42.52 C ATOM 2208 CG HIS A 135 11.401 27.267 5.187 1.00 1.10 C ATOM 2209 ND1 HIS A 135 10.760 28.483 5.322 1.00 45.21 N ATOM 2210 CD2 HIS A 135 11.771 26.913 6.445 1.00 15.43 C ATOM 2211 CE1 HIS A 135 10.750 28.841 6.590 1.00 64.45 C ATOM 2212 NE2 HIS A 135 11.356 27.906 7.293 1.00 2.42 N ATOM 0 H HIS A 135 12.263 23.917 4.297 1.00 2.22 H new ATOM 0 HA HIS A 135 9.767 25.490 3.931 1.00 14.52 H new ATOM 0 HB2 HIS A 135 12.676 26.360 3.746 1.00 42.52 H new ATOM 0 HB3 HIS A 135 11.353 27.283 3.061 1.00 42.52 H new ATOM 0 HD2 HIS A 135 12.297 26.012 6.726 1.00 15.43 H new ATOM 0 HE1 HIS A 135 10.318 29.748 6.986 1.00 64.45 H new ATOM 0 HE2 HIS A 135 11.494 27.919 8.304 1.00 2.42 H new ATOM 2221 N HIS A 136 12.078 24.439 1.733 1.00 34.41 N ATOM 2222 CA HIS A 136 12.323 23.985 0.341 1.00 23.24 C ATOM 2223 C HIS A 136 13.625 23.154 0.269 1.00 41.33 C ATOM 2224 O HIS A 136 14.613 23.520 0.954 1.00 45.30 O ATOM 2225 CB HIS A 136 12.412 25.198 -0.632 1.00 61.21 C ATOM 2226 CG HIS A 136 12.512 24.824 -2.099 1.00 70.00 C ATOM 2227 ND1 HIS A 136 13.689 24.869 -2.832 1.00 32.02 N ATOM 2228 CD2 HIS A 136 11.565 24.399 -2.973 1.00 63.52 C ATOM 2229 CE1 HIS A 136 13.454 24.483 -4.074 1.00 0.24 C ATOM 2230 NE2 HIS A 136 12.177 24.194 -4.182 1.00 23.22 N ATOM 2231 OXT HIS A 136 13.670 22.178 -0.508 1.00 37.32 O ATOM 0 H HIS A 136 12.918 24.448 2.312 1.00 34.41 H new ATOM 0 HA HIS A 136 11.484 23.360 0.036 1.00 23.24 H new ATOM 0 HB2 HIS A 136 11.533 25.826 -0.490 1.00 61.21 H new ATOM 0 HB3 HIS A 136 13.281 25.799 -0.364 1.00 61.21 H new ATOM 0 HD2 HIS A 136 10.518 24.249 -2.755 1.00 63.52 H new ATOM 0 HE1 HIS A 136 14.186 24.417 -4.865 1.00 0.24 H new ATOM 0 HE2 HIS A 136 11.714 23.869 -5.031 1.00 23.22 H new TER 2240 HIS A 136