USER MOD reduce.3.24.130724 H: found=0, std=0, add=1147, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1147 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 98 GLN : amide:sc= 0.505 K(o=-0.37,f=-1.9) USER MOD Set 1.2: A 101 LYS NZ :NH3+ 169:sc= -0.873 (180deg=-1.83) USER MOD Set 2.1: A 96 TYR OH : rot 167:sc= 0.695 USER MOD Set 2.2: A 100 LYS NZ :NH3+ -147:sc= 0.794 (180deg=-0.0142) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= 1.02 (180deg=0.885) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 64:sc= 0.345 USER MOD Single : A 24 LYS NZ :NH3+ 170:sc= -0.0154 (180deg=-0.162) USER MOD Single : A 25 SER OG : rot -82:sc= 0.0122 USER MOD Single : A 28 ASN : amide:sc= 0.284 X(o=0.28,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -162:sc= 0.974 (180deg=0.718) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 110:sc= 0.27 USER MOD Single : A 37 LYS NZ :NH3+ 169:sc= 0.854 (180deg=0.779) USER MOD Single : A 39 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0218) USER MOD Single : A 41 LYS NZ :NH3+ -121:sc= 0.379 (180deg=0.162) USER MOD Single : A 46 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0236) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0511 X(o=-0.051,f=-0.095) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.052 USER MOD Single : A 72 TYR OH : rot 30:sc= -0.0578 USER MOD Single : A 74 GLN : amide:sc= -0.303 K(o=-0.3,f=-1.7) USER MOD Single : A 75 LYS NZ :NH3+ 135:sc= -0.5 (180deg=-2.58!) USER MOD Single : A 84 MET CE :methyl -124:sc= 0 (180deg=-0.728) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 89 GLN : amide:sc= -1.92! C(o=-1.9!,f=-3.6!) USER MOD Single : A 109 THR OG1 : rot 180:sc=-0.00682 USER MOD Single : A 111 ASN : amide:sc= 0.522 K(o=0.52,f=-5.2!) USER MOD Single : A 116 LYS NZ :NH3+ -175:sc= 0.61 (180deg=0.592) USER MOD Single : A 117 LYS NZ :NH3+ -174:sc= 0.753 (180deg=0.73) USER MOD Single : A 120 LYS NZ :NH3+ -120:sc= 0.102 (180deg=-0.0329) USER MOD Single : A 125 LYS NZ :NH3+ 140:sc= 0.75 (180deg=-0.866) USER MOD Single : A 129 HIS : no HD1:sc= -0.784 X(o=-0.78,f=-0.9) USER MOD Single : A 130 HIS : no HE2:sc= 0.235 K(o=0.23,f=-1.7) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=-0.00051) USER MOD Single : A 132 HIS : no HD1:sc= -0.071 X(o=-0.071,f=-0.13) USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.112 15.849 -3.891 1.00 33.31 N ATOM 2 CA MET A 1 0.356 15.455 -2.487 1.00 3.33 C ATOM 3 C MET A 1 0.954 14.040 -2.435 1.00 34.14 C ATOM 4 O MET A 1 0.442 13.125 -3.095 1.00 1.43 O ATOM 5 CB MET A 1 -0.969 15.520 -1.666 1.00 71.34 C ATOM 6 CG MET A 1 -0.835 15.149 -0.177 1.00 14.02 C ATOM 7 SD MET A 1 -2.417 15.195 0.699 1.00 20.32 S ATOM 8 CE MET A 1 -1.926 14.702 2.355 1.00 21.33 C ATOM 0 H1 MET A 1 -0.080 16.870 -3.937 1.00 33.31 H new ATOM 0 H2 MET A 1 0.951 15.629 -4.464 1.00 33.31 H new ATOM 0 H3 MET A 1 -0.707 15.326 -4.261 1.00 33.31 H new ATOM 0 HA MET A 1 1.067 16.152 -2.044 1.00 3.33 H new ATOM 0 HB2 MET A 1 -1.373 16.530 -1.738 1.00 71.34 H new ATOM 0 HB3 MET A 1 -1.697 14.852 -2.127 1.00 71.34 H new ATOM 0 HG2 MET A 1 -0.407 14.150 -0.093 1.00 14.02 H new ATOM 0 HG3 MET A 1 -0.138 15.836 0.303 1.00 14.02 H new ATOM 0 HE1 MET A 1 -2.801 14.686 3.005 1.00 21.33 H new ATOM 0 HE2 MET A 1 -1.481 13.707 2.322 1.00 21.33 H new ATOM 0 HE3 MET A 1 -1.197 15.413 2.745 1.00 21.33 H new ATOM 20 N GLY A 2 2.041 13.884 -1.657 1.00 31.21 N ATOM 21 CA GLY A 2 2.627 12.578 -1.361 1.00 11.30 C ATOM 22 C GLY A 2 1.720 11.763 -0.438 1.00 13.40 C ATOM 23 O GLY A 2 1.409 12.201 0.673 1.00 54.41 O ATOM 0 H GLY A 2 2.532 14.664 -1.220 1.00 31.21 H new ATOM 0 HA2 GLY A 2 2.792 12.031 -2.289 1.00 11.30 H new ATOM 0 HA3 GLY A 2 3.602 12.711 -0.892 1.00 11.30 H new ATOM 27 N THR A 3 1.258 10.609 -0.922 1.00 0.53 N ATOM 28 CA THR A 3 0.359 9.702 -0.189 1.00 24.23 C ATOM 29 C THR A 3 0.845 8.258 -0.419 1.00 14.14 C ATOM 30 O THR A 3 0.868 7.793 -1.560 1.00 1.22 O ATOM 31 CB THR A 3 -1.116 9.881 -0.691 1.00 55.44 C ATOM 32 OG1 THR A 3 -1.512 11.259 -0.545 1.00 54.24 O ATOM 33 CG2 THR A 3 -2.110 8.985 0.062 1.00 63.24 C ATOM 0 H THR A 3 1.500 10.268 -1.852 1.00 0.53 H new ATOM 0 HA THR A 3 0.375 9.930 0.877 1.00 24.23 H new ATOM 0 HB THR A 3 -1.137 9.584 -1.739 1.00 55.44 H new ATOM 0 HG1 THR A 3 -2.433 11.370 -0.861 1.00 54.24 H new ATOM 0 HG21 THR A 3 -3.115 9.150 -0.326 1.00 63.24 H new ATOM 0 HG22 THR A 3 -1.835 7.940 -0.077 1.00 63.24 H new ATOM 0 HG23 THR A 3 -2.087 9.229 1.124 1.00 63.24 H new ATOM 41 N VAL A 4 1.250 7.576 0.667 1.00 33.30 N ATOM 42 CA VAL A 4 1.871 6.241 0.600 1.00 22.33 C ATOM 43 C VAL A 4 0.813 5.156 0.859 1.00 12.32 C ATOM 44 O VAL A 4 0.265 5.060 1.950 1.00 43.01 O ATOM 45 CB VAL A 4 3.051 6.110 1.636 1.00 35.30 C ATOM 46 CG1 VAL A 4 3.712 4.716 1.581 1.00 33.33 C ATOM 47 CG2 VAL A 4 4.102 7.213 1.412 1.00 53.12 C ATOM 0 H VAL A 4 1.156 7.935 1.617 1.00 33.30 H new ATOM 0 HA VAL A 4 2.285 6.107 -0.400 1.00 22.33 H new ATOM 0 HB VAL A 4 2.622 6.233 2.630 1.00 35.30 H new ATOM 0 HG11 VAL A 4 4.520 4.668 2.311 1.00 33.33 H new ATOM 0 HG12 VAL A 4 2.969 3.952 1.811 1.00 33.33 H new ATOM 0 HG13 VAL A 4 4.114 4.543 0.583 1.00 33.33 H new ATOM 0 HG21 VAL A 4 4.907 7.102 2.139 1.00 53.12 H new ATOM 0 HG22 VAL A 4 4.509 7.128 0.404 1.00 53.12 H new ATOM 0 HG23 VAL A 4 3.635 8.190 1.534 1.00 53.12 H new ATOM 57 N VAL A 5 0.516 4.367 -0.174 1.00 61.42 N ATOM 58 CA VAL A 5 -0.387 3.215 -0.089 1.00 53.44 C ATOM 59 C VAL A 5 0.467 1.935 -0.136 1.00 53.14 C ATOM 60 O VAL A 5 1.174 1.708 -1.110 1.00 74.41 O ATOM 61 CB VAL A 5 -1.440 3.231 -1.264 1.00 52.14 C ATOM 62 CG1 VAL A 5 -2.374 2.002 -1.213 1.00 54.32 C ATOM 63 CG2 VAL A 5 -2.252 4.554 -1.268 1.00 50.25 C ATOM 0 H VAL A 5 0.901 4.511 -1.108 1.00 61.42 H new ATOM 0 HA VAL A 5 -0.950 3.255 0.843 1.00 53.44 H new ATOM 0 HB VAL A 5 -0.884 3.175 -2.200 1.00 52.14 H new ATOM 0 HG11 VAL A 5 -3.084 2.050 -2.038 1.00 54.32 H new ATOM 0 HG12 VAL A 5 -1.781 1.091 -1.297 1.00 54.32 H new ATOM 0 HG13 VAL A 5 -2.916 1.996 -0.268 1.00 54.32 H new ATOM 0 HG21 VAL A 5 -2.970 4.538 -2.088 1.00 50.25 H new ATOM 0 HG22 VAL A 5 -2.784 4.657 -0.322 1.00 50.25 H new ATOM 0 HG23 VAL A 5 -1.573 5.397 -1.397 1.00 50.25 H new ATOM 73 N ILE A 6 0.448 1.141 0.947 1.00 21.42 N ATOM 74 CA ILE A 6 1.210 -0.118 1.049 1.00 25.51 C ATOM 75 C ILE A 6 0.255 -1.304 0.855 1.00 0.22 C ATOM 76 O ILE A 6 -0.581 -1.578 1.710 1.00 74.01 O ATOM 77 CB ILE A 6 1.947 -0.226 2.441 1.00 65.43 C ATOM 78 CG1 ILE A 6 2.915 0.977 2.647 1.00 33.22 C ATOM 79 CG2 ILE A 6 2.696 -1.573 2.602 1.00 25.13 C ATOM 80 CD1 ILE A 6 3.960 1.137 1.554 1.00 61.14 C ATOM 0 H ILE A 6 -0.099 1.354 1.781 1.00 21.42 H new ATOM 0 HA ILE A 6 1.973 -0.132 0.270 1.00 25.51 H new ATOM 0 HB ILE A 6 1.181 -0.192 3.216 1.00 65.43 H new ATOM 0 HG12 ILE A 6 2.328 1.893 2.709 1.00 33.22 H new ATOM 0 HG13 ILE A 6 3.423 0.859 3.604 1.00 33.22 H new ATOM 0 HG21 ILE A 6 3.188 -1.602 3.574 1.00 25.13 H new ATOM 0 HG22 ILE A 6 1.985 -2.396 2.531 1.00 25.13 H new ATOM 0 HG23 ILE A 6 3.443 -1.670 1.814 1.00 25.13 H new ATOM 0 HD11 ILE A 6 4.591 1.998 1.777 1.00 61.14 H new ATOM 0 HD12 ILE A 6 4.576 0.239 1.505 1.00 61.14 H new ATOM 0 HD13 ILE A 6 3.464 1.289 0.596 1.00 61.14 H new ATOM 92 N VAL A 7 0.364 -1.979 -0.293 1.00 65.02 N ATOM 93 CA VAL A 7 -0.451 -3.158 -0.617 1.00 13.15 C ATOM 94 C VAL A 7 0.447 -4.400 -0.551 1.00 42.42 C ATOM 95 O VAL A 7 1.450 -4.476 -1.259 1.00 72.52 O ATOM 96 CB VAL A 7 -1.110 -3.030 -2.038 1.00 14.22 C ATOM 97 CG1 VAL A 7 -2.002 -4.244 -2.356 1.00 51.11 C ATOM 98 CG2 VAL A 7 -1.901 -1.708 -2.164 1.00 62.13 C ATOM 0 H VAL A 7 1.023 -1.723 -1.029 1.00 65.02 H new ATOM 0 HA VAL A 7 -1.263 -3.242 0.105 1.00 13.15 H new ATOM 0 HB VAL A 7 -0.307 -3.012 -2.775 1.00 14.22 H new ATOM 0 HG11 VAL A 7 -2.442 -4.123 -3.346 1.00 51.11 H new ATOM 0 HG12 VAL A 7 -1.401 -5.153 -2.335 1.00 51.11 H new ATOM 0 HG13 VAL A 7 -2.796 -4.317 -1.613 1.00 51.11 H new ATOM 0 HG21 VAL A 7 -2.347 -1.644 -3.157 1.00 62.13 H new ATOM 0 HG22 VAL A 7 -2.688 -1.682 -1.410 1.00 62.13 H new ATOM 0 HG23 VAL A 7 -1.227 -0.865 -2.014 1.00 62.13 H new ATOM 108 N VAL A 8 0.095 -5.346 0.336 1.00 11.11 N ATOM 109 CA VAL A 8 0.844 -6.595 0.543 1.00 70.44 C ATOM 110 C VAL A 8 -0.057 -7.791 0.157 1.00 54.45 C ATOM 111 O VAL A 8 -1.134 -7.969 0.728 1.00 34.20 O ATOM 112 CB VAL A 8 1.315 -6.732 2.046 1.00 32.44 C ATOM 113 CG1 VAL A 8 2.077 -8.055 2.288 1.00 61.31 C ATOM 114 CG2 VAL A 8 2.169 -5.512 2.490 1.00 15.10 C ATOM 0 H VAL A 8 -0.726 -5.263 0.935 1.00 11.11 H new ATOM 0 HA VAL A 8 1.734 -6.583 -0.085 1.00 70.44 H new ATOM 0 HB VAL A 8 0.415 -6.751 2.661 1.00 32.44 H new ATOM 0 HG11 VAL A 8 2.384 -8.112 3.332 1.00 61.31 H new ATOM 0 HG12 VAL A 8 1.426 -8.898 2.055 1.00 61.31 H new ATOM 0 HG13 VAL A 8 2.959 -8.089 1.648 1.00 61.31 H new ATOM 0 HG21 VAL A 8 2.475 -5.641 3.528 1.00 15.10 H new ATOM 0 HG22 VAL A 8 3.054 -5.438 1.857 1.00 15.10 H new ATOM 0 HG23 VAL A 8 1.578 -4.601 2.396 1.00 15.10 H new ATOM 124 N SER A 9 0.385 -8.580 -0.831 1.00 63.14 N ATOM 125 CA SER A 9 -0.273 -9.836 -1.245 1.00 44.54 C ATOM 126 C SER A 9 0.817 -10.853 -1.598 1.00 11.22 C ATOM 127 O SER A 9 1.982 -10.490 -1.712 1.00 62.34 O ATOM 128 CB SER A 9 -1.218 -9.591 -2.450 1.00 11.11 C ATOM 129 OG SER A 9 -1.884 -10.784 -2.863 1.00 63.01 O ATOM 0 H SER A 9 1.220 -8.365 -1.375 1.00 63.14 H new ATOM 0 HA SER A 9 -0.886 -10.222 -0.431 1.00 44.54 H new ATOM 0 HB2 SER A 9 -1.959 -8.838 -2.182 1.00 11.11 H new ATOM 0 HB3 SER A 9 -0.643 -9.190 -3.285 1.00 11.11 H new ATOM 0 HG SER A 9 -2.475 -11.094 -2.145 1.00 63.01 H new ATOM 135 N ARG A 10 0.441 -12.125 -1.748 1.00 34.14 N ATOM 136 CA ARG A 10 1.388 -13.208 -2.094 1.00 43.12 C ATOM 137 C ARG A 10 1.162 -13.683 -3.544 1.00 33.12 C ATOM 138 O ARG A 10 2.086 -14.180 -4.198 1.00 54.03 O ATOM 139 CB ARG A 10 1.226 -14.364 -1.073 1.00 63.12 C ATOM 140 CG ARG A 10 2.242 -15.526 -1.205 1.00 52.51 C ATOM 141 CD ARG A 10 2.080 -16.575 -0.083 1.00 32.20 C ATOM 142 NE ARG A 10 2.261 -15.975 1.253 1.00 65.34 N ATOM 143 CZ ARG A 10 1.426 -16.131 2.295 1.00 11.22 C ATOM 144 NH1 ARG A 10 0.334 -16.882 2.200 1.00 4.14 N ATOM 145 NH2 ARG A 10 1.689 -15.505 3.427 1.00 11.51 N ATOM 0 H ARG A 10 -0.522 -12.441 -1.635 1.00 34.14 H new ATOM 0 HA ARG A 10 2.412 -12.839 -2.039 1.00 43.12 H new ATOM 0 HB2 ARG A 10 1.305 -13.950 -0.068 1.00 63.12 H new ATOM 0 HB3 ARG A 10 0.220 -14.773 -1.172 1.00 63.12 H new ATOM 0 HG2 ARG A 10 2.114 -16.010 -2.173 1.00 52.51 H new ATOM 0 HG3 ARG A 10 3.255 -15.125 -1.181 1.00 52.51 H new ATOM 0 HD2 ARG A 10 1.091 -17.028 -0.148 1.00 32.20 H new ATOM 0 HD3 ARG A 10 2.807 -17.375 -0.225 1.00 32.20 H new ATOM 0 HE ARG A 10 3.087 -15.394 1.398 1.00 65.34 H new ATOM 0 HH11 ARG A 10 0.115 -17.355 1.323 1.00 4.14 H new ATOM 0 HH12 ARG A 10 -0.285 -16.986 3.004 1.00 4.14 H new ATOM 0 HH21 ARG A 10 2.516 -14.913 3.502 1.00 11.51 H new ATOM 0 HH22 ARG A 10 1.065 -15.613 4.227 1.00 11.51 H new ATOM 159 N ASP A 11 -0.067 -13.497 -4.042 1.00 32.34 N ATOM 160 CA ASP A 11 -0.458 -13.883 -5.410 1.00 21.42 C ATOM 161 C ASP A 11 -0.224 -12.718 -6.375 1.00 11.23 C ATOM 162 O ASP A 11 -0.602 -11.575 -6.076 1.00 21.42 O ATOM 163 CB ASP A 11 -1.953 -14.280 -5.454 1.00 45.42 C ATOM 164 CG ASP A 11 -2.274 -15.498 -4.579 1.00 34.24 C ATOM 165 OD1 ASP A 11 -2.470 -15.321 -3.361 1.00 20.23 O ATOM 166 OD2 ASP A 11 -2.346 -16.633 -5.102 1.00 72.12 O ATOM 0 H ASP A 11 -0.824 -13.072 -3.507 1.00 32.34 H new ATOM 0 HA ASP A 11 0.152 -14.736 -5.709 1.00 21.42 H new ATOM 0 HB2 ASP A 11 -2.558 -13.434 -5.127 1.00 45.42 H new ATOM 0 HB3 ASP A 11 -2.236 -14.495 -6.484 1.00 45.42 H new ATOM 171 N GLU A 12 0.368 -13.034 -7.539 1.00 63.32 N ATOM 172 CA GLU A 12 0.582 -12.068 -8.638 1.00 63.25 C ATOM 173 C GLU A 12 -0.773 -11.641 -9.224 1.00 33.35 C ATOM 174 O GLU A 12 -0.986 -10.467 -9.534 1.00 52.13 O ATOM 175 CB GLU A 12 1.465 -12.666 -9.780 1.00 30.14 C ATOM 176 CG GLU A 12 2.855 -13.197 -9.353 1.00 24.42 C ATOM 177 CD GLU A 12 2.808 -14.572 -8.659 1.00 31.50 C ATOM 178 OE1 GLU A 12 3.317 -14.703 -7.524 1.00 43.34 O ATOM 179 OE2 GLU A 12 2.232 -15.515 -9.246 1.00 51.00 O ATOM 0 H GLU A 12 0.714 -13.970 -7.748 1.00 63.32 H new ATOM 0 HA GLU A 12 1.105 -11.208 -8.220 1.00 63.25 H new ATOM 0 HB2 GLU A 12 0.915 -13.481 -10.249 1.00 30.14 H new ATOM 0 HB3 GLU A 12 1.609 -11.899 -10.541 1.00 30.14 H new ATOM 0 HG2 GLU A 12 3.494 -13.266 -10.234 1.00 24.42 H new ATOM 0 HG3 GLU A 12 3.318 -12.476 -8.679 1.00 24.42 H new ATOM 186 N ARG A 13 -1.693 -12.622 -9.329 1.00 65.02 N ATOM 187 CA ARG A 13 -3.005 -12.441 -9.974 1.00 12.04 C ATOM 188 C ARG A 13 -3.873 -11.394 -9.246 1.00 63.33 C ATOM 189 O ARG A 13 -4.641 -10.681 -9.890 1.00 21.00 O ATOM 190 CB ARG A 13 -3.743 -13.801 -10.110 1.00 44.13 C ATOM 191 CG ARG A 13 -2.979 -14.844 -10.968 1.00 40.50 C ATOM 192 CD ARG A 13 -2.677 -14.357 -12.403 1.00 71.23 C ATOM 193 NE ARG A 13 -1.819 -15.312 -13.135 1.00 24.41 N ATOM 194 CZ ARG A 13 -0.708 -14.996 -13.835 1.00 12.41 C ATOM 195 NH1 ARG A 13 -0.277 -13.739 -13.923 1.00 31.43 N ATOM 196 NH2 ARG A 13 -0.037 -15.955 -14.455 1.00 40.41 N ATOM 0 H ARG A 13 -1.544 -13.564 -8.967 1.00 65.02 H new ATOM 0 HA ARG A 13 -2.826 -12.051 -10.976 1.00 12.04 H new ATOM 0 HB2 ARG A 13 -3.910 -14.214 -9.115 1.00 44.13 H new ATOM 0 HB3 ARG A 13 -4.724 -13.629 -10.552 1.00 44.13 H new ATOM 0 HG2 ARG A 13 -2.041 -15.094 -10.472 1.00 40.50 H new ATOM 0 HG3 ARG A 13 -3.566 -15.761 -11.020 1.00 40.50 H new ATOM 0 HD2 ARG A 13 -3.613 -14.219 -12.945 1.00 71.23 H new ATOM 0 HD3 ARG A 13 -2.186 -13.385 -12.362 1.00 71.23 H new ATOM 0 HE ARG A 13 -2.089 -16.295 -13.109 1.00 24.41 H new ATOM 0 HH11 ARG A 13 -0.789 -12.990 -13.456 1.00 31.43 H new ATOM 0 HH12 ARG A 13 0.565 -13.525 -14.458 1.00 31.43 H new ATOM 0 HH21 ARG A 13 -0.361 -16.921 -14.401 1.00 40.41 H new ATOM 0 HH22 ARG A 13 0.803 -15.728 -14.987 1.00 40.41 H new ATOM 210 N ILE A 14 -3.722 -11.286 -7.915 1.00 45.32 N ATOM 211 CA ILE A 14 -4.415 -10.251 -7.128 1.00 42.13 C ATOM 212 C ILE A 14 -3.736 -8.872 -7.368 1.00 54.34 C ATOM 213 O ILE A 14 -4.413 -7.902 -7.704 1.00 54.25 O ATOM 214 CB ILE A 14 -4.452 -10.594 -5.587 1.00 70.34 C ATOM 215 CG1 ILE A 14 -5.051 -12.023 -5.347 1.00 45.43 C ATOM 216 CG2 ILE A 14 -5.259 -9.525 -4.804 1.00 14.44 C ATOM 217 CD1 ILE A 14 -5.088 -12.469 -3.889 1.00 41.51 C ATOM 0 H ILE A 14 -3.127 -11.902 -7.362 1.00 45.32 H new ATOM 0 HA ILE A 14 -5.451 -10.212 -7.465 1.00 42.13 H new ATOM 0 HB ILE A 14 -3.427 -10.588 -5.216 1.00 70.34 H new ATOM 0 HG12 ILE A 14 -6.066 -12.047 -5.745 1.00 45.43 H new ATOM 0 HG13 ILE A 14 -4.468 -12.746 -5.918 1.00 45.43 H new ATOM 0 HG21 ILE A 14 -5.271 -9.782 -3.745 1.00 14.44 H new ATOM 0 HG22 ILE A 14 -4.793 -8.549 -4.935 1.00 14.44 H new ATOM 0 HG23 ILE A 14 -6.281 -9.492 -5.181 1.00 14.44 H new ATOM 0 HD11 ILE A 14 -5.518 -13.468 -3.825 1.00 41.51 H new ATOM 0 HD12 ILE A 14 -4.075 -12.484 -3.487 1.00 41.51 H new ATOM 0 HD13 ILE A 14 -5.697 -11.774 -3.311 1.00 41.51 H new ATOM 229 N LEU A 15 -2.382 -8.839 -7.253 1.00 73.53 N ATOM 230 CA LEU A 15 -1.562 -7.596 -7.374 1.00 61.55 C ATOM 231 C LEU A 15 -1.771 -6.859 -8.723 1.00 24.31 C ATOM 232 O LEU A 15 -1.822 -5.624 -8.755 1.00 60.45 O ATOM 233 CB LEU A 15 -0.048 -7.928 -7.185 1.00 2.33 C ATOM 234 CG LEU A 15 0.406 -8.320 -5.742 1.00 21.54 C ATOM 235 CD1 LEU A 15 1.888 -8.753 -5.725 1.00 13.24 C ATOM 236 CD2 LEU A 15 0.153 -7.162 -4.748 1.00 12.53 C ATOM 0 H LEU A 15 -1.824 -9.674 -7.073 1.00 73.53 H new ATOM 0 HA LEU A 15 -1.900 -6.923 -6.586 1.00 61.55 H new ATOM 0 HB2 LEU A 15 0.208 -8.747 -7.857 1.00 2.33 H new ATOM 0 HB3 LEU A 15 0.533 -7.062 -7.502 1.00 2.33 H new ATOM 0 HG LEU A 15 -0.193 -9.172 -5.422 1.00 21.54 H new ATOM 0 HD11 LEU A 15 2.177 -9.020 -4.709 1.00 13.24 H new ATOM 0 HD12 LEU A 15 2.023 -9.614 -6.379 1.00 13.24 H new ATOM 0 HD13 LEU A 15 2.511 -7.930 -6.075 1.00 13.24 H new ATOM 0 HD21 LEU A 15 0.478 -7.461 -3.751 1.00 12.53 H new ATOM 0 HD22 LEU A 15 0.714 -6.282 -5.064 1.00 12.53 H new ATOM 0 HD23 LEU A 15 -0.911 -6.926 -4.728 1.00 12.53 H new ATOM 248 N GLU A 16 -1.885 -7.632 -9.817 1.00 53.45 N ATOM 249 CA GLU A 16 -2.039 -7.081 -11.184 1.00 24.34 C ATOM 250 C GLU A 16 -3.451 -6.502 -11.393 1.00 43.03 C ATOM 251 O GLU A 16 -3.614 -5.516 -12.118 1.00 23.55 O ATOM 252 CB GLU A 16 -1.719 -8.168 -12.244 1.00 52.12 C ATOM 253 CG GLU A 16 -2.667 -9.378 -12.226 1.00 72.10 C ATOM 254 CD GLU A 16 -2.237 -10.501 -13.176 1.00 0.15 C ATOM 255 OE1 GLU A 16 -2.809 -10.631 -14.274 1.00 64.05 O ATOM 256 OE2 GLU A 16 -1.322 -11.261 -12.818 1.00 21.14 O ATOM 0 H GLU A 16 -1.874 -8.651 -9.784 1.00 53.45 H new ATOM 0 HA GLU A 16 -1.328 -6.264 -11.306 1.00 24.34 H new ATOM 0 HB2 GLU A 16 -1.751 -7.712 -13.234 1.00 52.12 H new ATOM 0 HB3 GLU A 16 -0.699 -8.520 -12.088 1.00 52.12 H new ATOM 0 HG2 GLU A 16 -2.723 -9.772 -11.211 1.00 72.10 H new ATOM 0 HG3 GLU A 16 -3.670 -9.048 -12.495 1.00 72.10 H new ATOM 263 N GLU A 17 -4.457 -7.118 -10.741 1.00 15.21 N ATOM 264 CA GLU A 17 -5.842 -6.616 -10.744 1.00 32.25 C ATOM 265 C GLU A 17 -5.920 -5.268 -10.001 1.00 74.03 C ATOM 266 O GLU A 17 -6.605 -4.346 -10.447 1.00 13.12 O ATOM 267 CB GLU A 17 -6.790 -7.647 -10.083 1.00 74.12 C ATOM 268 CG GLU A 17 -7.056 -8.922 -10.905 1.00 52.42 C ATOM 269 CD GLU A 17 -7.839 -8.665 -12.205 1.00 4.31 C ATOM 270 OE1 GLU A 17 -7.268 -8.789 -13.312 1.00 11.34 O ATOM 271 OE2 GLU A 17 -9.037 -8.320 -12.121 1.00 53.35 O ATOM 0 H GLU A 17 -4.331 -7.974 -10.200 1.00 15.21 H new ATOM 0 HA GLU A 17 -6.157 -6.467 -11.777 1.00 32.25 H new ATOM 0 HB2 GLU A 17 -6.369 -7.937 -9.120 1.00 74.12 H new ATOM 0 HB3 GLU A 17 -7.744 -7.160 -9.880 1.00 74.12 H new ATOM 0 HG2 GLU A 17 -6.103 -9.391 -11.151 1.00 52.42 H new ATOM 0 HG3 GLU A 17 -7.611 -9.631 -10.291 1.00 52.42 H new ATOM 278 N LEU A 18 -5.183 -5.184 -8.874 1.00 40.14 N ATOM 279 CA LEU A 18 -5.082 -3.971 -8.038 1.00 1.32 C ATOM 280 C LEU A 18 -4.314 -2.855 -8.769 1.00 44.21 C ATOM 281 O LEU A 18 -4.627 -1.669 -8.610 1.00 64.30 O ATOM 282 CB LEU A 18 -4.373 -4.327 -6.702 1.00 22.32 C ATOM 283 CG LEU A 18 -5.080 -5.414 -5.837 1.00 74.13 C ATOM 284 CD1 LEU A 18 -4.243 -5.804 -4.604 1.00 33.44 C ATOM 285 CD2 LEU A 18 -6.483 -4.955 -5.432 1.00 31.21 C ATOM 0 H LEU A 18 -4.635 -5.966 -8.515 1.00 40.14 H new ATOM 0 HA LEU A 18 -6.087 -3.602 -7.833 1.00 1.32 H new ATOM 0 HB2 LEU A 18 -3.362 -4.667 -6.927 1.00 22.32 H new ATOM 0 HB3 LEU A 18 -4.279 -3.418 -6.107 1.00 22.32 H new ATOM 0 HG LEU A 18 -5.177 -6.309 -6.451 1.00 74.13 H new ATOM 0 HD11 LEU A 18 -4.773 -6.564 -4.030 1.00 33.44 H new ATOM 0 HD12 LEU A 18 -3.281 -6.200 -4.928 1.00 33.44 H new ATOM 0 HD13 LEU A 18 -4.082 -4.925 -3.980 1.00 33.44 H new ATOM 0 HD21 LEU A 18 -6.959 -5.728 -4.829 1.00 31.21 H new ATOM 0 HD22 LEU A 18 -6.412 -4.035 -4.852 1.00 31.21 H new ATOM 0 HD23 LEU A 18 -7.079 -4.774 -6.327 1.00 31.21 H new ATOM 297 N LEU A 19 -3.310 -3.271 -9.573 1.00 75.32 N ATOM 298 CA LEU A 19 -2.504 -2.368 -10.414 1.00 52.42 C ATOM 299 C LEU A 19 -3.404 -1.653 -11.425 1.00 14.23 C ATOM 300 O LEU A 19 -3.320 -0.429 -11.579 1.00 44.24 O ATOM 301 CB LEU A 19 -1.379 -3.165 -11.141 1.00 11.21 C ATOM 302 CG LEU A 19 -0.447 -2.345 -12.094 1.00 14.13 C ATOM 303 CD1 LEU A 19 0.247 -1.199 -11.342 1.00 70.50 C ATOM 304 CD2 LEU A 19 0.587 -3.255 -12.795 1.00 73.23 C ATOM 0 H LEU A 19 -3.037 -4.250 -9.655 1.00 75.32 H new ATOM 0 HA LEU A 19 -2.032 -1.618 -9.779 1.00 52.42 H new ATOM 0 HB2 LEU A 19 -0.757 -3.644 -10.385 1.00 11.21 H new ATOM 0 HB3 LEU A 19 -1.845 -3.961 -11.722 1.00 11.21 H new ATOM 0 HG LEU A 19 -1.077 -1.905 -12.867 1.00 14.13 H new ATOM 0 HD11 LEU A 19 0.888 -0.648 -12.030 1.00 70.50 H new ATOM 0 HD12 LEU A 19 -0.505 -0.527 -10.929 1.00 70.50 H new ATOM 0 HD13 LEU A 19 0.852 -1.608 -10.533 1.00 70.50 H new ATOM 0 HD21 LEU A 19 1.218 -2.653 -13.449 1.00 73.23 H new ATOM 0 HD22 LEU A 19 1.207 -3.746 -12.045 1.00 73.23 H new ATOM 0 HD23 LEU A 19 0.067 -4.009 -13.386 1.00 73.23 H new ATOM 316 N GLU A 20 -4.287 -2.439 -12.066 1.00 11.24 N ATOM 317 CA GLU A 20 -5.260 -1.935 -13.042 1.00 10.02 C ATOM 318 C GLU A 20 -6.176 -0.862 -12.417 1.00 63.31 C ATOM 319 O GLU A 20 -6.400 0.169 -13.030 1.00 43.33 O ATOM 320 CB GLU A 20 -6.110 -3.100 -13.605 1.00 74.23 C ATOM 321 CG GLU A 20 -5.330 -4.153 -14.417 1.00 11.20 C ATOM 322 CD GLU A 20 -4.865 -3.658 -15.800 1.00 41.24 C ATOM 323 OE1 GLU A 20 -5.549 -3.953 -16.802 1.00 4.02 O ATOM 324 OE2 GLU A 20 -3.820 -2.976 -15.897 1.00 34.25 O ATOM 0 H GLU A 20 -4.343 -3.447 -11.918 1.00 11.24 H new ATOM 0 HA GLU A 20 -4.706 -1.472 -13.858 1.00 10.02 H new ATOM 0 HB2 GLU A 20 -6.606 -3.601 -12.774 1.00 74.23 H new ATOM 0 HB3 GLU A 20 -6.893 -2.683 -14.239 1.00 74.23 H new ATOM 0 HG2 GLU A 20 -4.458 -4.467 -13.843 1.00 11.20 H new ATOM 0 HG3 GLU A 20 -5.959 -5.033 -14.550 1.00 11.20 H new ATOM 331 N VAL A 21 -6.651 -1.111 -11.173 1.00 35.34 N ATOM 332 CA VAL A 21 -7.576 -0.197 -10.451 1.00 31.35 C ATOM 333 C VAL A 21 -6.957 1.209 -10.267 1.00 14.22 C ATOM 334 O VAL A 21 -7.650 2.225 -10.442 1.00 33.23 O ATOM 335 CB VAL A 21 -7.982 -0.787 -9.048 1.00 35.34 C ATOM 336 CG1 VAL A 21 -8.923 0.155 -8.254 1.00 54.12 C ATOM 337 CG2 VAL A 21 -8.625 -2.177 -9.206 1.00 31.15 C ATOM 0 H VAL A 21 -6.407 -1.947 -10.642 1.00 35.34 H new ATOM 0 HA VAL A 21 -8.472 -0.103 -11.065 1.00 31.35 H new ATOM 0 HB VAL A 21 -7.062 -0.882 -8.471 1.00 35.34 H new ATOM 0 HG11 VAL A 21 -9.171 -0.301 -7.296 1.00 54.12 H new ATOM 0 HG12 VAL A 21 -8.424 1.109 -8.084 1.00 54.12 H new ATOM 0 HG13 VAL A 21 -9.837 0.321 -8.824 1.00 54.12 H new ATOM 0 HG21 VAL A 21 -8.898 -2.565 -8.225 1.00 31.15 H new ATOM 0 HG22 VAL A 21 -9.518 -2.096 -9.825 1.00 31.15 H new ATOM 0 HG23 VAL A 21 -7.915 -2.855 -9.680 1.00 31.15 H new ATOM 347 N VAL A 22 -5.647 1.247 -9.936 1.00 62.12 N ATOM 348 CA VAL A 22 -4.897 2.514 -9.795 1.00 13.33 C ATOM 349 C VAL A 22 -4.801 3.221 -11.166 1.00 64.20 C ATOM 350 O VAL A 22 -5.020 4.420 -11.267 1.00 52.42 O ATOM 351 CB VAL A 22 -3.447 2.304 -9.211 1.00 63.12 C ATOM 352 CG1 VAL A 22 -2.773 3.662 -8.888 1.00 51.03 C ATOM 353 CG2 VAL A 22 -3.463 1.387 -7.971 1.00 23.14 C ATOM 0 H VAL A 22 -5.087 0.413 -9.761 1.00 62.12 H new ATOM 0 HA VAL A 22 -5.447 3.131 -9.085 1.00 13.33 H new ATOM 0 HB VAL A 22 -2.855 1.808 -9.980 1.00 63.12 H new ATOM 0 HG11 VAL A 22 -1.775 3.486 -8.487 1.00 51.03 H new ATOM 0 HG12 VAL A 22 -2.699 4.257 -9.798 1.00 51.03 H new ATOM 0 HG13 VAL A 22 -3.371 4.199 -8.151 1.00 51.03 H new ATOM 0 HG21 VAL A 22 -2.447 1.265 -7.596 1.00 23.14 H new ATOM 0 HG22 VAL A 22 -4.085 1.834 -7.196 1.00 23.14 H new ATOM 0 HG23 VAL A 22 -3.868 0.413 -8.244 1.00 23.14 H new ATOM 363 N LEU A 23 -4.521 2.428 -12.218 1.00 52.14 N ATOM 364 CA LEU A 23 -4.393 2.928 -13.605 1.00 23.41 C ATOM 365 C LEU A 23 -5.749 3.433 -14.160 1.00 14.34 C ATOM 366 O LEU A 23 -5.775 4.319 -15.024 1.00 71.42 O ATOM 367 CB LEU A 23 -3.807 1.817 -14.521 1.00 14.53 C ATOM 368 CG LEU A 23 -2.380 1.303 -14.148 1.00 31.13 C ATOM 369 CD1 LEU A 23 -1.955 0.130 -15.057 1.00 75.31 C ATOM 370 CD2 LEU A 23 -1.340 2.446 -14.176 1.00 10.04 C ATOM 0 H LEU A 23 -4.377 1.422 -12.133 1.00 52.14 H new ATOM 0 HA LEU A 23 -3.710 3.777 -13.593 1.00 23.41 H new ATOM 0 HB2 LEU A 23 -4.491 0.968 -14.512 1.00 14.53 H new ATOM 0 HB3 LEU A 23 -3.780 2.194 -15.543 1.00 14.53 H new ATOM 0 HG LEU A 23 -2.422 0.930 -13.125 1.00 31.13 H new ATOM 0 HD11 LEU A 23 -0.958 -0.207 -14.774 1.00 75.31 H new ATOM 0 HD12 LEU A 23 -2.661 -0.692 -14.944 1.00 75.31 H new ATOM 0 HD13 LEU A 23 -1.945 0.460 -16.096 1.00 75.31 H new ATOM 0 HD21 LEU A 23 -0.359 2.052 -13.911 1.00 10.04 H new ATOM 0 HD22 LEU A 23 -1.300 2.877 -15.176 1.00 10.04 H new ATOM 0 HD23 LEU A 23 -1.627 3.216 -13.460 1.00 10.04 H new ATOM 382 N LYS A 24 -6.867 2.865 -13.655 1.00 62.54 N ATOM 383 CA LYS A 24 -8.233 3.286 -14.042 1.00 52.23 C ATOM 384 C LYS A 24 -8.573 4.636 -13.400 1.00 60.01 C ATOM 385 O LYS A 24 -9.149 5.513 -14.055 1.00 44.42 O ATOM 386 CB LYS A 24 -9.304 2.229 -13.627 1.00 53.20 C ATOM 387 CG LYS A 24 -9.152 0.843 -14.287 1.00 71.43 C ATOM 388 CD LYS A 24 -9.089 0.881 -15.834 1.00 31.33 C ATOM 389 CE LYS A 24 -8.920 -0.528 -16.439 1.00 5.53 C ATOM 390 NZ LYS A 24 -10.039 -1.438 -16.064 1.00 14.00 N ATOM 0 H LYS A 24 -6.849 2.107 -12.973 1.00 62.54 H new ATOM 0 HA LYS A 24 -8.250 3.379 -15.128 1.00 52.23 H new ATOM 0 HB2 LYS A 24 -9.267 2.104 -12.545 1.00 53.20 H new ATOM 0 HB3 LYS A 24 -10.291 2.622 -13.869 1.00 53.20 H new ATOM 0 HG2 LYS A 24 -8.246 0.370 -13.909 1.00 71.43 H new ATOM 0 HG3 LYS A 24 -9.989 0.215 -13.984 1.00 71.43 H new ATOM 0 HD2 LYS A 24 -10.000 1.336 -16.223 1.00 31.33 H new ATOM 0 HD3 LYS A 24 -8.258 1.513 -16.148 1.00 31.33 H new ATOM 0 HE2 LYS A 24 -8.864 -0.451 -17.525 1.00 5.53 H new ATOM 0 HE3 LYS A 24 -7.976 -0.956 -16.101 1.00 5.53 H new ATOM 0 HZ1 LYS A 24 -9.977 -2.313 -16.623 1.00 14.00 H new ATOM 0 HZ2 LYS A 24 -9.975 -1.668 -15.052 1.00 14.00 H new ATOM 0 HZ3 LYS A 24 -10.947 -0.969 -16.256 1.00 14.00 H new ATOM 404 N SER A 25 -8.221 4.783 -12.109 1.00 25.34 N ATOM 405 CA SER A 25 -8.513 5.998 -11.342 1.00 11.41 C ATOM 406 C SER A 25 -7.553 7.132 -11.758 1.00 20.12 C ATOM 407 O SER A 25 -7.974 8.091 -12.416 1.00 75.00 O ATOM 408 CB SER A 25 -8.439 5.694 -9.821 1.00 30.15 C ATOM 409 OG SER A 25 -7.214 5.072 -9.477 1.00 61.33 O ATOM 0 H SER A 25 -7.730 4.066 -11.576 1.00 25.34 H new ATOM 0 HA SER A 25 -9.526 6.336 -11.560 1.00 11.41 H new ATOM 0 HB2 SER A 25 -8.549 6.621 -9.258 1.00 30.15 H new ATOM 0 HB3 SER A 25 -9.269 5.048 -9.537 1.00 30.15 H new ATOM 0 HG SER A 25 -7.268 4.113 -9.671 1.00 61.33 H new ATOM 415 N ASP A 26 -6.252 6.992 -11.439 1.00 40.35 N ATOM 416 CA ASP A 26 -5.264 8.054 -11.703 1.00 75.12 C ATOM 417 C ASP A 26 -3.851 7.482 -12.022 1.00 54.12 C ATOM 418 O ASP A 26 -3.323 6.674 -11.251 1.00 13.54 O ATOM 419 CB ASP A 26 -5.209 9.005 -10.488 1.00 1.31 C ATOM 420 CG ASP A 26 -4.335 10.228 -10.767 1.00 1.11 C ATOM 421 OD1 ASP A 26 -3.184 10.263 -10.326 1.00 64.02 O ATOM 422 OD2 ASP A 26 -4.795 11.151 -11.469 1.00 5.31 O ATOM 0 H ASP A 26 -5.863 6.158 -11.000 1.00 40.35 H new ATOM 0 HA ASP A 26 -5.582 8.603 -12.589 1.00 75.12 H new ATOM 0 HB2 ASP A 26 -6.218 9.329 -10.233 1.00 1.31 H new ATOM 0 HB3 ASP A 26 -4.819 8.468 -9.623 1.00 1.31 H new ATOM 427 N PRO A 27 -3.214 7.913 -13.163 1.00 23.52 N ATOM 428 CA PRO A 27 -1.863 7.456 -13.573 1.00 13.04 C ATOM 429 C PRO A 27 -0.715 8.375 -13.093 1.00 51.12 C ATOM 430 O PRO A 27 0.451 8.128 -13.423 1.00 11.24 O ATOM 431 CB PRO A 27 -2.002 7.480 -15.108 1.00 24.41 C ATOM 432 CG PRO A 27 -2.842 8.699 -15.385 1.00 33.40 C ATOM 433 CD PRO A 27 -3.776 8.853 -14.187 1.00 73.21 C ATOM 0 HA PRO A 27 -1.591 6.492 -13.143 1.00 13.04 H new ATOM 0 HB2 PRO A 27 -1.029 7.548 -15.595 1.00 24.41 H new ATOM 0 HB3 PRO A 27 -2.481 6.574 -15.479 1.00 24.41 H new ATOM 0 HG2 PRO A 27 -2.217 9.583 -15.507 1.00 33.40 H new ATOM 0 HG3 PRO A 27 -3.409 8.580 -16.308 1.00 33.40 H new ATOM 0 HD2 PRO A 27 -3.789 9.880 -13.821 1.00 73.21 H new ATOM 0 HD3 PRO A 27 -4.803 8.593 -14.446 1.00 73.21 H new ATOM 441 N ASN A 28 -1.047 9.448 -12.345 1.00 44.13 N ATOM 442 CA ASN A 28 -0.033 10.336 -11.727 1.00 55.31 C ATOM 443 C ASN A 28 0.426 9.737 -10.391 1.00 61.34 C ATOM 444 O ASN A 28 1.516 10.040 -9.900 1.00 63.34 O ATOM 445 CB ASN A 28 -0.584 11.771 -11.511 1.00 2.02 C ATOM 446 CG ASN A 28 -1.150 12.384 -12.793 1.00 50.30 C ATOM 447 OD1 ASN A 28 -0.421 12.971 -13.593 1.00 73.02 O ATOM 448 ND2 ASN A 28 -2.454 12.278 -12.983 1.00 44.13 N ATOM 0 H ASN A 28 -2.010 9.723 -12.153 1.00 44.13 H new ATOM 0 HA ASN A 28 0.815 10.410 -12.407 1.00 55.31 H new ATOM 0 HB2 ASN A 28 -1.364 11.746 -10.750 1.00 2.02 H new ATOM 0 HB3 ASN A 28 0.213 12.409 -11.129 1.00 2.02 H new ATOM 0 HD21 ASN A 28 -2.884 12.689 -13.812 1.00 44.13 H new ATOM 0 HD22 ASN A 28 -3.030 11.785 -12.301 1.00 44.13 H new ATOM 455 N VAL A 29 -0.438 8.892 -9.808 1.00 20.22 N ATOM 456 CA VAL A 29 -0.077 8.032 -8.685 1.00 70.31 C ATOM 457 C VAL A 29 0.963 7.004 -9.174 1.00 54.14 C ATOM 458 O VAL A 29 0.650 6.167 -10.032 1.00 10.12 O ATOM 459 CB VAL A 29 -1.334 7.281 -8.097 1.00 42.23 C ATOM 460 CG1 VAL A 29 -0.947 6.410 -6.882 1.00 21.42 C ATOM 461 CG2 VAL A 29 -2.466 8.268 -7.723 1.00 2.45 C ATOM 0 H VAL A 29 -1.408 8.790 -10.107 1.00 20.22 H new ATOM 0 HA VAL A 29 0.336 8.650 -7.888 1.00 70.31 H new ATOM 0 HB VAL A 29 -1.711 6.624 -8.881 1.00 42.23 H new ATOM 0 HG11 VAL A 29 -1.834 5.905 -6.499 1.00 21.42 H new ATOM 0 HG12 VAL A 29 -0.210 5.667 -7.187 1.00 21.42 H new ATOM 0 HG13 VAL A 29 -0.524 7.042 -6.101 1.00 21.42 H new ATOM 0 HG21 VAL A 29 -3.314 7.714 -7.322 1.00 2.45 H new ATOM 0 HG22 VAL A 29 -2.103 8.970 -6.972 1.00 2.45 H new ATOM 0 HG23 VAL A 29 -2.779 8.817 -8.611 1.00 2.45 H new ATOM 471 N LYS A 30 2.206 7.127 -8.673 1.00 11.52 N ATOM 472 CA LYS A 30 3.296 6.208 -9.016 1.00 50.03 C ATOM 473 C LYS A 30 2.955 4.784 -8.545 1.00 45.21 C ATOM 474 O LYS A 30 2.564 4.588 -7.409 1.00 30.01 O ATOM 475 CB LYS A 30 4.636 6.680 -8.389 1.00 74.15 C ATOM 476 CG LYS A 30 5.839 5.759 -8.698 1.00 51.12 C ATOM 477 CD LYS A 30 6.083 5.605 -10.217 1.00 42.14 C ATOM 478 CE LYS A 30 7.118 4.525 -10.541 1.00 62.22 C ATOM 479 NZ LYS A 30 8.459 4.849 -10.014 1.00 65.14 N ATOM 0 H LYS A 30 2.478 7.864 -8.022 1.00 11.52 H new ATOM 0 HA LYS A 30 3.413 6.202 -10.100 1.00 50.03 H new ATOM 0 HB2 LYS A 30 4.859 7.684 -8.750 1.00 74.15 H new ATOM 0 HB3 LYS A 30 4.514 6.749 -7.308 1.00 74.15 H new ATOM 0 HG2 LYS A 30 6.735 6.164 -8.227 1.00 51.12 H new ATOM 0 HG3 LYS A 30 5.665 4.777 -8.259 1.00 51.12 H new ATOM 0 HD2 LYS A 30 5.142 5.360 -10.709 1.00 42.14 H new ATOM 0 HD3 LYS A 30 6.418 6.558 -10.626 1.00 42.14 H new ATOM 0 HE2 LYS A 30 6.788 3.573 -10.124 1.00 62.22 H new ATOM 0 HE3 LYS A 30 7.177 4.396 -11.622 1.00 62.22 H new ATOM 0 HZ1 LYS A 30 9.173 4.270 -10.501 1.00 65.14 H new ATOM 0 HZ2 LYS A 30 8.661 5.856 -10.175 1.00 65.14 H new ATOM 0 HZ3 LYS A 30 8.489 4.649 -8.994 1.00 65.14 H new ATOM 493 N THR A 31 3.097 3.803 -9.435 1.00 34.34 N ATOM 494 CA THR A 31 2.864 2.395 -9.112 1.00 60.40 C ATOM 495 C THR A 31 4.197 1.652 -9.186 1.00 25.11 C ATOM 496 O THR A 31 4.970 1.837 -10.136 1.00 53.54 O ATOM 497 CB THR A 31 1.826 1.758 -10.084 1.00 70.31 C ATOM 498 OG1 THR A 31 2.260 1.903 -11.450 1.00 14.41 O ATOM 499 CG2 THR A 31 0.429 2.386 -9.929 1.00 2.31 C ATOM 0 H THR A 31 3.377 3.962 -10.403 1.00 34.34 H new ATOM 0 HA THR A 31 2.452 2.319 -8.106 1.00 60.40 H new ATOM 0 HB THR A 31 1.757 0.701 -9.826 1.00 70.31 H new ATOM 0 HG1 THR A 31 1.599 1.497 -12.048 1.00 14.41 H new ATOM 0 HG21 THR A 31 -0.262 1.912 -10.626 1.00 2.31 H new ATOM 0 HG22 THR A 31 0.075 2.238 -8.909 1.00 2.31 H new ATOM 0 HG23 THR A 31 0.484 3.453 -10.143 1.00 2.31 H new ATOM 507 N VAL A 32 4.461 0.830 -8.161 1.00 21.45 N ATOM 508 CA VAL A 32 5.732 0.109 -7.983 1.00 63.24 C ATOM 509 C VAL A 32 5.421 -1.350 -7.642 1.00 72.23 C ATOM 510 O VAL A 32 4.865 -1.625 -6.587 1.00 40.44 O ATOM 511 CB VAL A 32 6.597 0.755 -6.824 1.00 74.02 C ATOM 512 CG1 VAL A 32 7.907 -0.036 -6.564 1.00 71.42 C ATOM 513 CG2 VAL A 32 6.890 2.249 -7.112 1.00 2.34 C ATOM 0 H VAL A 32 3.787 0.643 -7.419 1.00 21.45 H new ATOM 0 HA VAL A 32 6.308 0.171 -8.906 1.00 63.24 H new ATOM 0 HB VAL A 32 6.004 0.698 -5.911 1.00 74.02 H new ATOM 0 HG11 VAL A 32 8.468 0.443 -5.762 1.00 71.42 H new ATOM 0 HG12 VAL A 32 7.663 -1.059 -6.276 1.00 71.42 H new ATOM 0 HG13 VAL A 32 8.511 -0.049 -7.471 1.00 71.42 H new ATOM 0 HG21 VAL A 32 7.485 2.666 -6.300 1.00 2.34 H new ATOM 0 HG22 VAL A 32 7.441 2.338 -8.048 1.00 2.34 H new ATOM 0 HG23 VAL A 32 5.950 2.795 -7.191 1.00 2.34 H new ATOM 523 N ARG A 33 5.763 -2.276 -8.544 1.00 52.11 N ATOM 524 CA ARG A 33 5.604 -3.714 -8.313 1.00 1.31 C ATOM 525 C ARG A 33 7.003 -4.280 -8.001 1.00 54.43 C ATOM 526 O ARG A 33 7.795 -4.545 -8.912 1.00 65.11 O ATOM 527 CB ARG A 33 4.970 -4.403 -9.557 1.00 24.24 C ATOM 528 CG ARG A 33 4.638 -5.899 -9.347 1.00 33.13 C ATOM 529 CD ARG A 33 4.200 -6.619 -10.635 1.00 1.34 C ATOM 530 NE ARG A 33 3.873 -8.036 -10.391 1.00 14.12 N ATOM 531 CZ ARG A 33 4.692 -9.087 -10.593 1.00 12.24 C ATOM 532 NH1 ARG A 33 5.931 -8.926 -11.047 1.00 14.54 N ATOM 533 NH2 ARG A 33 4.239 -10.314 -10.364 1.00 71.42 N ATOM 0 H ARG A 33 6.158 -2.048 -9.456 1.00 52.11 H new ATOM 0 HA ARG A 33 4.930 -3.904 -7.478 1.00 1.31 H new ATOM 0 HB2 ARG A 33 4.056 -3.873 -9.827 1.00 24.24 H new ATOM 0 HB3 ARG A 33 5.654 -4.308 -10.400 1.00 24.24 H new ATOM 0 HG2 ARG A 33 5.514 -6.403 -8.939 1.00 33.13 H new ATOM 0 HG3 ARG A 33 3.845 -5.986 -8.604 1.00 33.13 H new ATOM 0 HD2 ARG A 33 3.331 -6.113 -11.055 1.00 1.34 H new ATOM 0 HD3 ARG A 33 4.997 -6.553 -11.376 1.00 1.34 H new ATOM 0 HE ARG A 33 2.939 -8.240 -10.036 1.00 14.12 H new ATOM 0 HH11 ARG A 33 6.282 -7.990 -11.251 1.00 14.54 H new ATOM 0 HH12 ARG A 33 6.531 -9.738 -11.191 1.00 14.54 H new ATOM 0 HH21 ARG A 33 3.282 -10.452 -10.039 1.00 71.42 H new ATOM 0 HH22 ARG A 33 4.848 -11.119 -10.513 1.00 71.42 H new ATOM 547 N THR A 34 7.322 -4.372 -6.704 1.00 64.30 N ATOM 548 CA THR A 34 8.649 -4.793 -6.221 1.00 5.12 C ATOM 549 C THR A 34 8.539 -6.049 -5.336 1.00 4.12 C ATOM 550 O THR A 34 7.436 -6.498 -4.987 1.00 74.34 O ATOM 551 CB THR A 34 9.349 -3.614 -5.453 1.00 75.44 C ATOM 552 OG1 THR A 34 10.710 -3.956 -5.134 1.00 72.44 O ATOM 553 CG2 THR A 34 8.599 -3.218 -4.164 1.00 52.55 C ATOM 0 H THR A 34 6.665 -4.156 -5.954 1.00 64.30 H new ATOM 0 HA THR A 34 9.265 -5.051 -7.082 1.00 5.12 H new ATOM 0 HB THR A 34 9.332 -2.754 -6.122 1.00 75.44 H new ATOM 0 HG1 THR A 34 11.319 -3.417 -5.680 1.00 72.44 H new ATOM 0 HG21 THR A 34 9.126 -2.399 -3.673 1.00 52.55 H new ATOM 0 HG22 THR A 34 7.587 -2.900 -4.415 1.00 52.55 H new ATOM 0 HG23 THR A 34 8.554 -4.075 -3.492 1.00 52.55 H new ATOM 561 N ASP A 35 9.703 -6.614 -5.013 1.00 62.44 N ATOM 562 CA ASP A 35 9.858 -7.719 -4.053 1.00 3.21 C ATOM 563 C ASP A 35 10.853 -7.303 -2.949 1.00 55.22 C ATOM 564 O ASP A 35 11.195 -8.111 -2.080 1.00 64.34 O ATOM 565 CB ASP A 35 10.375 -8.992 -4.775 1.00 0.51 C ATOM 566 CG ASP A 35 9.366 -9.601 -5.760 1.00 45.41 C ATOM 567 OD1 ASP A 35 8.491 -10.376 -5.317 1.00 40.02 O ATOM 568 OD2 ASP A 35 9.454 -9.332 -6.983 1.00 20.31 O ATOM 0 H ASP A 35 10.589 -6.312 -5.419 1.00 62.44 H new ATOM 0 HA ASP A 35 8.889 -7.941 -3.606 1.00 3.21 H new ATOM 0 HB2 ASP A 35 11.290 -8.746 -5.313 1.00 0.51 H new ATOM 0 HB3 ASP A 35 10.636 -9.741 -4.028 1.00 0.51 H new ATOM 573 N ASP A 36 11.291 -6.027 -3.000 1.00 31.35 N ATOM 574 CA ASP A 36 12.377 -5.480 -2.168 1.00 11.53 C ATOM 575 C ASP A 36 11.834 -4.303 -1.338 1.00 71.25 C ATOM 576 O ASP A 36 11.384 -3.302 -1.907 1.00 22.32 O ATOM 577 CB ASP A 36 13.543 -4.983 -3.075 1.00 74.13 C ATOM 578 CG ASP A 36 14.038 -6.054 -4.060 1.00 63.43 C ATOM 579 OD1 ASP A 36 15.039 -6.739 -3.769 1.00 11.22 O ATOM 580 OD2 ASP A 36 13.424 -6.217 -5.140 1.00 72.13 O ATOM 0 H ASP A 36 10.890 -5.337 -3.635 1.00 31.35 H new ATOM 0 HA ASP A 36 12.751 -6.259 -1.504 1.00 11.53 H new ATOM 0 HB2 ASP A 36 13.213 -4.108 -3.635 1.00 74.13 H new ATOM 0 HB3 ASP A 36 14.374 -4.664 -2.446 1.00 74.13 H new ATOM 585 N LYS A 37 11.874 -4.432 0.002 1.00 53.13 N ATOM 586 CA LYS A 37 11.458 -3.361 0.939 1.00 15.51 C ATOM 587 C LYS A 37 12.389 -2.135 0.874 1.00 0.25 C ATOM 588 O LYS A 37 11.985 -1.011 1.215 1.00 61.23 O ATOM 589 CB LYS A 37 11.368 -3.916 2.387 1.00 13.20 C ATOM 590 CG LYS A 37 12.613 -4.681 2.893 1.00 44.44 C ATOM 591 CD LYS A 37 12.464 -5.124 4.364 1.00 33.31 C ATOM 592 CE LYS A 37 13.575 -6.084 4.813 1.00 24.44 C ATOM 593 NZ LYS A 37 14.923 -5.466 4.745 1.00 64.41 N ATOM 0 H LYS A 37 12.195 -5.280 0.469 1.00 53.13 H new ATOM 0 HA LYS A 37 10.469 -3.021 0.630 1.00 15.51 H new ATOM 0 HB2 LYS A 37 11.177 -3.083 3.064 1.00 13.20 H new ATOM 0 HB3 LYS A 37 10.507 -4.581 2.448 1.00 13.20 H new ATOM 0 HG2 LYS A 37 12.779 -5.557 2.266 1.00 44.44 H new ATOM 0 HG3 LYS A 37 13.493 -4.046 2.793 1.00 44.44 H new ATOM 0 HD2 LYS A 37 12.470 -4.243 5.006 1.00 33.31 H new ATOM 0 HD3 LYS A 37 11.497 -5.608 4.496 1.00 33.31 H new ATOM 0 HE2 LYS A 37 13.379 -6.409 5.835 1.00 24.44 H new ATOM 0 HE3 LYS A 37 13.556 -6.975 4.186 1.00 24.44 H new ATOM 0 HZ1 LYS A 37 15.611 -6.079 5.228 1.00 64.41 H new ATOM 0 HZ2 LYS A 37 15.202 -5.350 3.750 1.00 64.41 H new ATOM 0 HZ3 LYS A 37 14.902 -4.536 5.209 1.00 64.41 H new ATOM 607 N GLU A 38 13.627 -2.368 0.408 1.00 5.24 N ATOM 608 CA GLU A 38 14.635 -1.318 0.224 1.00 14.44 C ATOM 609 C GLU A 38 14.225 -0.416 -0.956 1.00 21.31 C ATOM 610 O GLU A 38 14.362 0.811 -0.890 1.00 13.23 O ATOM 611 CB GLU A 38 16.048 -1.921 -0.035 1.00 63.41 C ATOM 612 CG GLU A 38 16.572 -2.915 1.041 1.00 5.32 C ATOM 613 CD GLU A 38 15.956 -4.333 0.996 1.00 1.12 C ATOM 614 OE1 GLU A 38 15.939 -5.015 2.042 1.00 22.24 O ATOM 615 OE2 GLU A 38 15.488 -4.776 -0.076 1.00 51.15 O ATOM 0 H GLU A 38 13.956 -3.298 0.147 1.00 5.24 H new ATOM 0 HA GLU A 38 14.687 -0.730 1.140 1.00 14.44 H new ATOM 0 HB2 GLU A 38 16.032 -2.433 -0.997 1.00 63.41 H new ATOM 0 HB3 GLU A 38 16.761 -1.101 -0.122 1.00 63.41 H new ATOM 0 HG2 GLU A 38 17.653 -3.004 0.932 1.00 5.32 H new ATOM 0 HG3 GLU A 38 16.385 -2.488 2.026 1.00 5.32 H new ATOM 622 N LYS A 39 13.699 -1.058 -2.027 1.00 4.13 N ATOM 623 CA LYS A 39 13.248 -0.365 -3.251 1.00 62.52 C ATOM 624 C LYS A 39 12.054 0.558 -2.951 1.00 65.42 C ATOM 625 O LYS A 39 11.951 1.646 -3.522 1.00 21.34 O ATOM 626 CB LYS A 39 12.879 -1.385 -4.368 1.00 33.43 C ATOM 627 CG LYS A 39 12.480 -0.753 -5.726 1.00 21.21 C ATOM 628 CD LYS A 39 13.622 0.080 -6.354 1.00 5.24 C ATOM 629 CE LYS A 39 13.206 0.753 -7.671 1.00 64.52 C ATOM 630 NZ LYS A 39 12.817 -0.227 -8.723 1.00 13.43 N ATOM 0 H LYS A 39 13.577 -2.070 -2.063 1.00 4.13 H new ATOM 0 HA LYS A 39 14.075 0.248 -3.609 1.00 62.52 H new ATOM 0 HB2 LYS A 39 13.729 -2.048 -4.529 1.00 33.43 H new ATOM 0 HB3 LYS A 39 12.054 -2.004 -4.016 1.00 33.43 H new ATOM 0 HG2 LYS A 39 12.189 -1.543 -6.418 1.00 21.21 H new ATOM 0 HG3 LYS A 39 11.607 -0.116 -5.583 1.00 21.21 H new ATOM 0 HD2 LYS A 39 13.942 0.844 -5.645 1.00 5.24 H new ATOM 0 HD3 LYS A 39 14.481 -0.566 -6.536 1.00 5.24 H new ATOM 0 HE2 LYS A 39 12.370 1.426 -7.481 1.00 64.52 H new ATOM 0 HE3 LYS A 39 14.031 1.364 -8.038 1.00 64.52 H new ATOM 0 HZ1 LYS A 39 12.611 0.278 -9.609 1.00 13.43 H new ATOM 0 HZ2 LYS A 39 13.597 -0.897 -8.879 1.00 13.43 H new ATOM 0 HZ3 LYS A 39 11.970 -0.747 -8.417 1.00 13.43 H new ATOM 644 N VAL A 40 11.177 0.106 -2.038 1.00 55.02 N ATOM 645 CA VAL A 40 10.000 0.871 -1.600 1.00 31.53 C ATOM 646 C VAL A 40 10.415 2.252 -1.036 1.00 55.44 C ATOM 647 O VAL A 40 9.864 3.270 -1.438 1.00 12.12 O ATOM 648 CB VAL A 40 9.180 0.082 -0.517 1.00 30.15 C ATOM 649 CG1 VAL A 40 7.912 0.854 -0.114 1.00 73.44 C ATOM 650 CG2 VAL A 40 8.827 -1.348 -0.995 1.00 75.55 C ATOM 0 H VAL A 40 11.266 -0.802 -1.583 1.00 55.02 H new ATOM 0 HA VAL A 40 9.368 1.022 -2.475 1.00 31.53 H new ATOM 0 HB VAL A 40 9.815 -0.015 0.364 1.00 30.15 H new ATOM 0 HG11 VAL A 40 7.363 0.285 0.637 1.00 73.44 H new ATOM 0 HG12 VAL A 40 8.192 1.824 0.298 1.00 73.44 H new ATOM 0 HG13 VAL A 40 7.281 1.001 -0.991 1.00 73.44 H new ATOM 0 HG21 VAL A 40 8.260 -1.862 -0.219 1.00 75.55 H new ATOM 0 HG22 VAL A 40 8.228 -1.290 -1.904 1.00 75.55 H new ATOM 0 HG23 VAL A 40 9.744 -1.900 -1.200 1.00 75.55 H new ATOM 660 N LYS A 41 11.424 2.247 -0.142 1.00 20.51 N ATOM 661 CA LYS A 41 11.942 3.469 0.521 1.00 22.32 C ATOM 662 C LYS A 41 12.523 4.469 -0.485 1.00 24.12 C ATOM 663 O LYS A 41 12.329 5.683 -0.336 1.00 52.40 O ATOM 664 CB LYS A 41 13.020 3.098 1.552 1.00 24.24 C ATOM 665 CG LYS A 41 12.497 2.284 2.742 1.00 22.33 C ATOM 666 CD LYS A 41 13.641 1.871 3.683 1.00 35.13 C ATOM 667 CE LYS A 41 13.145 1.219 4.968 1.00 73.12 C ATOM 668 NZ LYS A 41 14.273 0.647 5.741 1.00 23.14 N ATOM 0 H LYS A 41 11.906 1.395 0.144 1.00 20.51 H new ATOM 0 HA LYS A 41 11.098 3.945 1.020 1.00 22.32 H new ATOM 0 HB2 LYS A 41 13.804 2.528 1.053 1.00 24.24 H new ATOM 0 HB3 LYS A 41 13.480 4.013 1.926 1.00 24.24 H new ATOM 0 HG2 LYS A 41 11.764 2.873 3.294 1.00 22.33 H new ATOM 0 HG3 LYS A 41 11.983 1.394 2.379 1.00 22.33 H new ATOM 0 HD2 LYS A 41 14.302 1.178 3.162 1.00 35.13 H new ATOM 0 HD3 LYS A 41 14.234 2.750 3.933 1.00 35.13 H new ATOM 0 HE2 LYS A 41 12.620 1.956 5.575 1.00 73.12 H new ATOM 0 HE3 LYS A 41 12.428 0.434 4.729 1.00 73.12 H new ATOM 0 HZ1 LYS A 41 14.122 -0.374 5.871 1.00 23.14 H new ATOM 0 HZ2 LYS A 41 15.162 0.803 5.224 1.00 23.14 H new ATOM 0 HZ3 LYS A 41 14.327 1.110 6.671 1.00 23.14 H new ATOM 682 N GLU A 42 13.242 3.937 -1.495 1.00 63.31 N ATOM 683 CA GLU A 42 13.753 4.734 -2.629 1.00 31.15 C ATOM 684 C GLU A 42 12.595 5.506 -3.278 1.00 35.42 C ATOM 685 O GLU A 42 12.648 6.730 -3.446 1.00 45.43 O ATOM 686 CB GLU A 42 14.404 3.809 -3.698 1.00 63.43 C ATOM 687 CG GLU A 42 15.587 2.960 -3.205 1.00 52.41 C ATOM 688 CD GLU A 42 16.819 3.790 -2.806 1.00 54.11 C ATOM 689 OE1 GLU A 42 17.487 4.342 -3.711 1.00 35.41 O ATOM 690 OE2 GLU A 42 17.136 3.882 -1.600 1.00 24.11 O ATOM 0 H GLU A 42 13.484 2.947 -1.547 1.00 63.31 H new ATOM 0 HA GLU A 42 14.504 5.429 -2.253 1.00 31.15 H new ATOM 0 HB2 GLU A 42 13.638 3.140 -4.090 1.00 63.43 H new ATOM 0 HB3 GLU A 42 14.744 4.427 -4.529 1.00 63.43 H new ATOM 0 HG2 GLU A 42 15.266 2.368 -2.348 1.00 52.41 H new ATOM 0 HG3 GLU A 42 15.871 2.258 -3.989 1.00 52.41 H new ATOM 697 N GLU A 43 11.533 4.746 -3.562 1.00 11.41 N ATOM 698 CA GLU A 43 10.339 5.215 -4.257 1.00 34.31 C ATOM 699 C GLU A 43 9.474 6.183 -3.406 1.00 15.40 C ATOM 700 O GLU A 43 8.797 7.052 -3.978 1.00 42.15 O ATOM 701 CB GLU A 43 9.518 3.978 -4.702 1.00 12.22 C ATOM 702 CG GLU A 43 10.200 3.109 -5.785 1.00 12.43 C ATOM 703 CD GLU A 43 10.440 3.842 -7.116 1.00 73.20 C ATOM 704 OE1 GLU A 43 11.455 3.576 -7.791 1.00 41.12 O ATOM 705 OE2 GLU A 43 9.598 4.671 -7.511 1.00 3.20 O ATOM 0 H GLU A 43 11.483 3.760 -3.306 1.00 11.41 H new ATOM 0 HA GLU A 43 10.654 5.797 -5.123 1.00 34.31 H new ATOM 0 HB2 GLU A 43 9.319 3.357 -3.829 1.00 12.22 H new ATOM 0 HB3 GLU A 43 8.553 4.315 -5.080 1.00 12.22 H new ATOM 0 HG2 GLU A 43 11.156 2.752 -5.401 1.00 12.43 H new ATOM 0 HG3 GLU A 43 9.583 2.230 -5.972 1.00 12.43 H new ATOM 712 N ILE A 44 9.492 6.037 -2.059 1.00 53.23 N ATOM 713 CA ILE A 44 8.739 6.935 -1.147 1.00 72.43 C ATOM 714 C ILE A 44 9.304 8.374 -1.247 1.00 33.12 C ATOM 715 O ILE A 44 8.542 9.336 -1.363 1.00 21.22 O ATOM 716 CB ILE A 44 8.767 6.428 0.357 1.00 40.52 C ATOM 717 CG1 ILE A 44 8.067 5.034 0.490 1.00 60.23 C ATOM 718 CG2 ILE A 44 8.115 7.456 1.317 1.00 61.51 C ATOM 719 CD1 ILE A 44 8.064 4.429 1.893 1.00 62.35 C ATOM 0 H ILE A 44 10.019 5.307 -1.580 1.00 53.23 H new ATOM 0 HA ILE A 44 7.696 6.929 -1.462 1.00 72.43 H new ATOM 0 HB ILE A 44 9.813 6.319 0.644 1.00 40.52 H new ATOM 0 HG12 ILE A 44 7.035 5.132 0.154 1.00 60.23 H new ATOM 0 HG13 ILE A 44 8.558 4.335 -0.187 1.00 60.23 H new ATOM 0 HG21 ILE A 44 8.152 7.075 2.338 1.00 61.51 H new ATOM 0 HG22 ILE A 44 8.657 8.400 1.262 1.00 61.51 H new ATOM 0 HG23 ILE A 44 7.077 7.617 1.027 1.00 61.51 H new ATOM 0 HD11 ILE A 44 7.555 3.465 1.873 1.00 62.35 H new ATOM 0 HD12 ILE A 44 9.091 4.290 2.231 1.00 62.35 H new ATOM 0 HD13 ILE A 44 7.544 5.100 2.577 1.00 62.35 H new ATOM 731 N GLU A 45 10.654 8.472 -1.257 1.00 63.34 N ATOM 732 CA GLU A 45 11.390 9.758 -1.375 1.00 54.35 C ATOM 733 C GLU A 45 11.094 10.458 -2.713 1.00 64.53 C ATOM 734 O GLU A 45 10.853 11.674 -2.750 1.00 52.21 O ATOM 735 CB GLU A 45 12.915 9.519 -1.269 1.00 55.33 C ATOM 736 CG GLU A 45 13.370 8.834 0.022 1.00 63.22 C ATOM 737 CD GLU A 45 14.881 8.559 0.040 1.00 73.25 C ATOM 738 OE1 GLU A 45 15.650 9.409 0.539 1.00 52.01 O ATOM 739 OE2 GLU A 45 15.312 7.500 -0.469 1.00 1.34 O ATOM 0 H GLU A 45 11.267 7.660 -1.183 1.00 63.34 H new ATOM 0 HA GLU A 45 11.053 10.397 -0.559 1.00 54.35 H new ATOM 0 HB2 GLU A 45 13.233 8.912 -2.117 1.00 55.33 H new ATOM 0 HB3 GLU A 45 13.426 10.478 -1.354 1.00 55.33 H new ATOM 0 HG2 GLU A 45 13.108 9.461 0.874 1.00 63.22 H new ATOM 0 HG3 GLU A 45 12.831 7.894 0.140 1.00 63.22 H new ATOM 746 N LYS A 46 11.138 9.650 -3.799 1.00 21.31 N ATOM 747 CA LYS A 46 10.883 10.104 -5.176 1.00 64.01 C ATOM 748 C LYS A 46 9.479 10.736 -5.280 1.00 75.13 C ATOM 749 O LYS A 46 9.359 11.942 -5.509 1.00 53.13 O ATOM 750 CB LYS A 46 11.026 8.912 -6.168 1.00 14.35 C ATOM 751 CG LYS A 46 12.433 8.267 -6.213 1.00 21.33 C ATOM 752 CD LYS A 46 12.462 6.945 -7.016 1.00 73.05 C ATOM 753 CE LYS A 46 12.133 7.125 -8.505 1.00 53.15 C ATOM 754 NZ LYS A 46 13.181 7.914 -9.205 1.00 45.52 N ATOM 0 H LYS A 46 11.354 8.655 -3.737 1.00 21.31 H new ATOM 0 HA LYS A 46 11.620 10.863 -5.440 1.00 64.01 H new ATOM 0 HB2 LYS A 46 10.299 8.145 -5.899 1.00 14.35 H new ATOM 0 HB3 LYS A 46 10.769 9.258 -7.169 1.00 14.35 H new ATOM 0 HG2 LYS A 46 13.136 8.972 -6.657 1.00 21.33 H new ATOM 0 HG3 LYS A 46 12.773 8.076 -5.195 1.00 21.33 H new ATOM 0 HD2 LYS A 46 13.450 6.494 -6.922 1.00 73.05 H new ATOM 0 HD3 LYS A 46 11.750 6.247 -6.577 1.00 73.05 H new ATOM 0 HE2 LYS A 46 12.036 6.148 -8.978 1.00 53.15 H new ATOM 0 HE3 LYS A 46 11.170 7.626 -8.608 1.00 53.15 H new ATOM 0 HZ1 LYS A 46 12.971 7.944 -10.223 1.00 45.52 H new ATOM 0 HZ2 LYS A 46 13.198 8.882 -8.826 1.00 45.52 H new ATOM 0 HZ3 LYS A 46 14.109 7.468 -9.056 1.00 45.52 H new ATOM 768 N ALA A 47 8.439 9.914 -5.008 1.00 41.23 N ATOM 769 CA ALA A 47 7.024 10.313 -5.141 1.00 41.54 C ATOM 770 C ALA A 47 6.672 11.529 -4.259 1.00 40.45 C ATOM 771 O ALA A 47 5.975 12.447 -4.712 1.00 12.30 O ATOM 772 CB ALA A 47 6.102 9.129 -4.813 1.00 70.13 C ATOM 0 H ALA A 47 8.561 8.953 -4.689 1.00 41.23 H new ATOM 0 HA ALA A 47 6.870 10.613 -6.178 1.00 41.54 H new ATOM 0 HB1 ALA A 47 5.062 9.439 -4.915 1.00 70.13 H new ATOM 0 HB2 ALA A 47 6.306 8.308 -5.500 1.00 70.13 H new ATOM 0 HB3 ALA A 47 6.283 8.799 -3.790 1.00 70.13 H new ATOM 778 N ARG A 48 7.205 11.526 -3.021 1.00 15.44 N ATOM 779 CA ARG A 48 6.979 12.594 -2.022 1.00 71.44 C ATOM 780 C ARG A 48 7.374 13.977 -2.576 1.00 23.13 C ATOM 781 O ARG A 48 6.567 14.916 -2.576 1.00 22.54 O ATOM 782 CB ARG A 48 7.804 12.298 -0.737 1.00 42.41 C ATOM 783 CG ARG A 48 7.669 13.359 0.378 1.00 24.34 C ATOM 784 CD ARG A 48 8.589 13.098 1.583 1.00 3.04 C ATOM 785 NE ARG A 48 8.432 14.135 2.621 1.00 2.24 N ATOM 786 CZ ARG A 48 9.291 14.365 3.635 1.00 70.13 C ATOM 787 NH1 ARG A 48 10.402 13.637 3.782 1.00 43.10 N ATOM 788 NH2 ARG A 48 9.014 15.320 4.514 1.00 10.35 N ATOM 0 H ARG A 48 7.809 10.777 -2.682 1.00 15.44 H new ATOM 0 HA ARG A 48 5.915 12.611 -1.786 1.00 71.44 H new ATOM 0 HB2 ARG A 48 7.496 11.331 -0.339 1.00 42.41 H new ATOM 0 HB3 ARG A 48 8.856 12.210 -1.010 1.00 42.41 H new ATOM 0 HG2 ARG A 48 7.895 14.342 -0.036 1.00 24.34 H new ATOM 0 HG3 ARG A 48 6.634 13.387 0.719 1.00 24.34 H new ATOM 0 HD2 ARG A 48 8.364 12.120 2.008 1.00 3.04 H new ATOM 0 HD3 ARG A 48 9.627 13.070 1.250 1.00 3.04 H new ATOM 0 HE ARG A 48 7.604 14.728 2.567 1.00 2.24 H new ATOM 0 HH11 ARG A 48 10.614 12.891 3.120 1.00 43.10 H new ATOM 0 HH12 ARG A 48 11.038 13.828 4.556 1.00 43.10 H new ATOM 0 HH21 ARG A 48 8.160 15.870 4.418 1.00 10.35 H new ATOM 0 HH22 ARG A 48 9.655 15.504 5.286 1.00 10.35 H new ATOM 802 N LYS A 49 8.617 14.064 -3.072 1.00 12.41 N ATOM 803 CA LYS A 49 9.218 15.333 -3.513 1.00 71.21 C ATOM 804 C LYS A 49 8.802 15.696 -4.953 1.00 65.23 C ATOM 805 O LYS A 49 8.936 16.850 -5.363 1.00 4.41 O ATOM 806 CB LYS A 49 10.756 15.284 -3.355 1.00 10.04 C ATOM 807 CG LYS A 49 11.240 15.005 -1.904 1.00 35.15 C ATOM 808 CD LYS A 49 12.731 15.364 -1.692 1.00 64.24 C ATOM 809 CE LYS A 49 12.998 16.880 -1.827 1.00 3.02 C ATOM 810 NZ LYS A 49 14.436 17.225 -1.644 1.00 74.31 N ATOM 0 H LYS A 49 9.234 13.259 -3.179 1.00 12.41 H new ATOM 0 HA LYS A 49 8.837 16.127 -2.871 1.00 71.21 H new ATOM 0 HB2 LYS A 49 11.153 14.511 -4.013 1.00 10.04 H new ATOM 0 HB3 LYS A 49 11.175 16.233 -3.689 1.00 10.04 H new ATOM 0 HG2 LYS A 49 10.630 15.578 -1.205 1.00 35.15 H new ATOM 0 HG3 LYS A 49 11.088 13.951 -1.671 1.00 35.15 H new ATOM 0 HD2 LYS A 49 13.045 15.029 -0.703 1.00 64.24 H new ATOM 0 HD3 LYS A 49 13.338 14.825 -2.419 1.00 64.24 H new ATOM 0 HE2 LYS A 49 12.669 17.217 -2.810 1.00 3.02 H new ATOM 0 HE3 LYS A 49 12.402 17.418 -1.090 1.00 3.02 H new ATOM 0 HZ1 LYS A 49 14.562 18.252 -1.744 1.00 74.31 H new ATOM 0 HZ2 LYS A 49 14.746 16.929 -0.697 1.00 74.31 H new ATOM 0 HZ3 LYS A 49 15.005 16.735 -2.364 1.00 74.31 H new ATOM 824 N GLN A 50 8.312 14.704 -5.718 1.00 74.10 N ATOM 825 CA GLN A 50 7.659 14.947 -7.027 1.00 12.01 C ATOM 826 C GLN A 50 6.218 15.464 -6.815 1.00 74.32 C ATOM 827 O GLN A 50 5.585 15.949 -7.755 1.00 75.24 O ATOM 828 CB GLN A 50 7.659 13.652 -7.890 1.00 65.50 C ATOM 829 CG GLN A 50 9.058 13.189 -8.352 1.00 31.12 C ATOM 830 CD GLN A 50 9.750 14.192 -9.279 1.00 33.53 C ATOM 831 OE1 GLN A 50 10.468 15.088 -8.836 1.00 12.42 O ATOM 832 NE2 GLN A 50 9.561 14.033 -10.576 1.00 54.11 N ATOM 0 H GLN A 50 8.354 13.720 -5.454 1.00 74.10 H new ATOM 0 HA GLN A 50 8.225 15.709 -7.563 1.00 12.01 H new ATOM 0 HB2 GLN A 50 7.196 12.849 -7.317 1.00 65.50 H new ATOM 0 HB3 GLN A 50 7.036 13.817 -8.769 1.00 65.50 H new ATOM 0 HG2 GLN A 50 9.685 13.021 -7.477 1.00 31.12 H new ATOM 0 HG3 GLN A 50 8.965 12.233 -8.867 1.00 31.12 H new ATOM 0 HE21 GLN A 50 8.961 13.282 -10.916 1.00 54.11 H new ATOM 0 HE22 GLN A 50 10.015 14.662 -11.238 1.00 54.11 H new ATOM 841 N GLY A 51 5.716 15.346 -5.567 1.00 50.31 N ATOM 842 CA GLY A 51 4.381 15.824 -5.194 1.00 42.32 C ATOM 843 C GLY A 51 3.270 14.941 -5.725 1.00 24.22 C ATOM 844 O GLY A 51 2.125 15.380 -5.855 1.00 10.45 O ATOM 0 H GLY A 51 6.229 14.917 -4.797 1.00 50.31 H new ATOM 0 HA2 GLY A 51 4.309 15.876 -4.108 1.00 42.32 H new ATOM 0 HA3 GLY A 51 4.245 16.838 -5.571 1.00 42.32 H new ATOM 848 N ARG A 52 3.621 13.684 -6.034 1.00 42.42 N ATOM 849 CA ARG A 52 2.679 12.670 -6.520 1.00 54.41 C ATOM 850 C ARG A 52 2.461 11.606 -5.423 1.00 61.12 C ATOM 851 O ARG A 52 3.327 11.411 -4.560 1.00 3.22 O ATOM 852 CB ARG A 52 3.196 12.004 -7.833 1.00 42.22 C ATOM 853 CG ARG A 52 4.572 11.302 -7.735 1.00 20.10 C ATOM 854 CD ARG A 52 4.903 10.458 -8.983 1.00 42.53 C ATOM 855 NE ARG A 52 4.860 11.249 -10.222 1.00 33.51 N ATOM 856 CZ ARG A 52 4.370 10.827 -11.402 1.00 20.02 C ATOM 857 NH1 ARG A 52 3.860 9.604 -11.533 1.00 21.40 N ATOM 858 NH2 ARG A 52 4.384 11.651 -12.443 1.00 3.41 N ATOM 0 H ARG A 52 4.578 13.341 -5.952 1.00 42.42 H new ATOM 0 HA ARG A 52 1.730 13.155 -6.749 1.00 54.41 H new ATOM 0 HB2 ARG A 52 2.458 11.272 -8.162 1.00 42.22 H new ATOM 0 HB3 ARG A 52 3.254 12.769 -8.608 1.00 42.22 H new ATOM 0 HG2 ARG A 52 5.349 12.053 -7.594 1.00 20.10 H new ATOM 0 HG3 ARG A 52 4.585 10.660 -6.854 1.00 20.10 H new ATOM 0 HD2 ARG A 52 5.894 10.020 -8.869 1.00 42.53 H new ATOM 0 HD3 ARG A 52 4.196 9.632 -9.058 1.00 42.53 H new ATOM 0 HE ARG A 52 5.233 12.198 -10.184 1.00 33.51 H new ATOM 0 HH11 ARG A 52 3.837 8.973 -10.732 1.00 21.40 H new ATOM 0 HH12 ARG A 52 3.492 9.299 -12.434 1.00 21.40 H new ATOM 0 HH21 ARG A 52 4.763 12.593 -12.343 1.00 3.41 H new ATOM 0 HH22 ARG A 52 4.015 11.342 -13.343 1.00 3.41 H new ATOM 872 N PRO A 53 1.282 10.930 -5.407 1.00 55.14 N ATOM 873 CA PRO A 53 1.045 9.760 -4.539 1.00 53.50 C ATOM 874 C PRO A 53 1.768 8.512 -5.063 1.00 14.01 C ATOM 875 O PRO A 53 2.440 8.555 -6.109 1.00 54.13 O ATOM 876 CB PRO A 53 -0.500 9.585 -4.564 1.00 51.13 C ATOM 877 CG PRO A 53 -1.024 10.821 -5.248 1.00 61.03 C ATOM 878 CD PRO A 53 0.068 11.263 -6.184 1.00 25.33 C ATOM 0 HA PRO A 53 1.431 9.902 -3.530 1.00 53.50 H new ATOM 0 HB2 PRO A 53 -0.786 8.683 -5.106 1.00 51.13 H new ATOM 0 HB3 PRO A 53 -0.903 9.492 -3.555 1.00 51.13 H new ATOM 0 HG2 PRO A 53 -1.944 10.607 -5.793 1.00 61.03 H new ATOM 0 HG3 PRO A 53 -1.257 11.601 -4.523 1.00 61.03 H new ATOM 0 HD2 PRO A 53 0.032 10.731 -7.135 1.00 25.33 H new ATOM 0 HD3 PRO A 53 0.007 12.327 -6.411 1.00 25.33 H new ATOM 886 N ILE A 54 1.611 7.393 -4.344 1.00 2.12 N ATOM 887 CA ILE A 54 2.289 6.146 -4.685 1.00 15.44 C ATOM 888 C ILE A 54 1.539 4.940 -4.086 1.00 62.41 C ATOM 889 O ILE A 54 1.070 4.992 -2.953 1.00 32.31 O ATOM 890 CB ILE A 54 3.802 6.197 -4.231 1.00 13.42 C ATOM 891 CG1 ILE A 54 4.595 4.967 -4.751 1.00 12.30 C ATOM 892 CG2 ILE A 54 3.951 6.363 -2.696 1.00 11.52 C ATOM 893 CD1 ILE A 54 6.101 5.097 -4.612 1.00 24.31 C ATOM 0 H ILE A 54 1.015 7.331 -3.518 1.00 2.12 H new ATOM 0 HA ILE A 54 2.282 6.022 -5.768 1.00 15.44 H new ATOM 0 HB ILE A 54 4.237 7.086 -4.687 1.00 13.42 H new ATOM 0 HG12 ILE A 54 4.266 4.080 -4.209 1.00 12.30 H new ATOM 0 HG13 ILE A 54 4.350 4.808 -5.801 1.00 12.30 H new ATOM 0 HG21 ILE A 54 5.009 6.393 -2.434 1.00 11.52 H new ATOM 0 HG22 ILE A 54 3.473 7.291 -2.382 1.00 11.52 H new ATOM 0 HG23 ILE A 54 3.476 5.522 -2.191 1.00 11.52 H new ATOM 0 HD11 ILE A 54 6.581 4.198 -4.998 1.00 24.31 H new ATOM 0 HD12 ILE A 54 6.445 5.963 -5.178 1.00 24.31 H new ATOM 0 HD13 ILE A 54 6.360 5.224 -3.561 1.00 24.31 H new ATOM 905 N VAL A 55 1.376 3.885 -4.904 1.00 75.24 N ATOM 906 CA VAL A 55 0.844 2.588 -4.484 1.00 62.21 C ATOM 907 C VAL A 55 1.943 1.539 -4.710 1.00 52.22 C ATOM 908 O VAL A 55 2.409 1.335 -5.845 1.00 42.33 O ATOM 909 CB VAL A 55 -0.463 2.179 -5.268 1.00 43.10 C ATOM 910 CG1 VAL A 55 -0.999 0.811 -4.789 1.00 73.42 C ATOM 911 CG2 VAL A 55 -1.558 3.260 -5.140 1.00 75.42 C ATOM 0 H VAL A 55 1.617 3.917 -5.895 1.00 75.24 H new ATOM 0 HA VAL A 55 0.561 2.651 -3.433 1.00 62.21 H new ATOM 0 HB VAL A 55 -0.194 2.091 -6.321 1.00 43.10 H new ATOM 0 HG11 VAL A 55 -1.900 0.557 -5.348 1.00 73.42 H new ATOM 0 HG12 VAL A 55 -0.241 0.045 -4.955 1.00 73.42 H new ATOM 0 HG13 VAL A 55 -1.235 0.864 -3.726 1.00 73.42 H new ATOM 0 HG21 VAL A 55 -2.445 2.947 -5.691 1.00 75.42 H new ATOM 0 HG22 VAL A 55 -1.814 3.396 -4.089 1.00 75.42 H new ATOM 0 HG23 VAL A 55 -1.190 4.201 -5.549 1.00 75.42 H new ATOM 921 N ILE A 56 2.363 0.908 -3.617 1.00 1.20 N ATOM 922 CA ILE A 56 3.401 -0.117 -3.602 1.00 44.21 C ATOM 923 C ILE A 56 2.728 -1.498 -3.595 1.00 65.44 C ATOM 924 O ILE A 56 1.738 -1.701 -2.893 1.00 22.42 O ATOM 925 CB ILE A 56 4.304 0.036 -2.324 1.00 12.44 C ATOM 926 CG1 ILE A 56 4.937 1.462 -2.242 1.00 34.02 C ATOM 927 CG2 ILE A 56 5.403 -1.052 -2.272 1.00 33.03 C ATOM 928 CD1 ILE A 56 5.986 1.760 -3.300 1.00 12.13 C ATOM 0 H ILE A 56 1.980 1.101 -2.692 1.00 1.20 H new ATOM 0 HA ILE A 56 4.031 -0.009 -4.485 1.00 44.21 H new ATOM 0 HB ILE A 56 3.658 -0.098 -1.456 1.00 12.44 H new ATOM 0 HG12 ILE A 56 4.141 2.202 -2.323 1.00 34.02 H new ATOM 0 HG13 ILE A 56 5.389 1.586 -1.258 1.00 34.02 H new ATOM 0 HG21 ILE A 56 6.008 -0.915 -1.376 1.00 33.03 H new ATOM 0 HG22 ILE A 56 4.938 -2.038 -2.250 1.00 33.03 H new ATOM 0 HG23 ILE A 56 6.038 -0.970 -3.154 1.00 33.03 H new ATOM 0 HD11 ILE A 56 6.366 2.772 -3.161 1.00 12.13 H new ATOM 0 HD12 ILE A 56 6.807 1.048 -3.209 1.00 12.13 H new ATOM 0 HD13 ILE A 56 5.539 1.674 -4.290 1.00 12.13 H new ATOM 940 N PHE A 57 3.275 -2.428 -4.378 1.00 42.55 N ATOM 941 CA PHE A 57 2.821 -3.816 -4.441 1.00 20.13 C ATOM 942 C PHE A 57 3.982 -4.705 -3.984 1.00 43.04 C ATOM 943 O PHE A 57 4.969 -4.881 -4.708 1.00 40.21 O ATOM 944 CB PHE A 57 2.358 -4.174 -5.882 1.00 12.32 C ATOM 945 CG PHE A 57 1.214 -3.294 -6.389 1.00 73.21 C ATOM 946 CD1 PHE A 57 -0.099 -3.524 -5.975 1.00 32.24 C ATOM 947 CD2 PHE A 57 1.449 -2.222 -7.260 1.00 51.05 C ATOM 948 CE1 PHE A 57 -1.131 -2.719 -6.412 1.00 35.20 C ATOM 949 CE2 PHE A 57 0.409 -1.423 -7.697 1.00 51.43 C ATOM 950 CZ PHE A 57 -0.879 -1.672 -7.272 1.00 61.54 C ATOM 0 H PHE A 57 4.061 -2.233 -4.998 1.00 42.55 H new ATOM 0 HA PHE A 57 1.962 -3.971 -3.789 1.00 20.13 H new ATOM 0 HB2 PHE A 57 3.206 -4.082 -6.561 1.00 12.32 H new ATOM 0 HB3 PHE A 57 2.042 -5.217 -5.906 1.00 12.32 H new ATOM 0 HD1 PHE A 57 -0.310 -4.343 -5.304 1.00 32.24 H new ATOM 0 HD2 PHE A 57 2.455 -2.017 -7.594 1.00 51.05 H new ATOM 0 HE1 PHE A 57 -2.140 -2.910 -6.079 1.00 35.20 H new ATOM 0 HE2 PHE A 57 0.605 -0.603 -8.372 1.00 51.43 H new ATOM 0 HZ PHE A 57 -1.691 -1.046 -7.613 1.00 61.54 H new ATOM 960 N ILE A 58 3.870 -5.196 -2.746 1.00 52.03 N ATOM 961 CA ILE A 58 4.860 -6.071 -2.110 1.00 31.51 C ATOM 962 C ILE A 58 4.338 -7.502 -2.188 1.00 71.21 C ATOM 963 O ILE A 58 3.262 -7.802 -1.650 1.00 62.11 O ATOM 964 CB ILE A 58 5.088 -5.689 -0.600 1.00 55.22 C ATOM 965 CG1 ILE A 58 5.433 -4.178 -0.467 1.00 22.23 C ATOM 966 CG2 ILE A 58 6.193 -6.573 0.043 1.00 35.22 C ATOM 967 CD1 ILE A 58 5.420 -3.647 0.955 1.00 71.52 C ATOM 0 H ILE A 58 3.071 -4.992 -2.145 1.00 52.03 H new ATOM 0 HA ILE A 58 5.813 -5.963 -2.628 1.00 31.51 H new ATOM 0 HB ILE A 58 4.161 -5.877 -0.059 1.00 55.22 H new ATOM 0 HG12 ILE A 58 6.420 -4.006 -0.896 1.00 22.23 H new ATOM 0 HG13 ILE A 58 4.723 -3.603 -1.061 1.00 22.23 H new ATOM 0 HG21 ILE A 58 6.328 -6.286 1.086 1.00 35.22 H new ATOM 0 HG22 ILE A 58 5.897 -7.621 -0.009 1.00 35.22 H new ATOM 0 HG23 ILE A 58 7.130 -6.433 -0.496 1.00 35.22 H new ATOM 0 HD11 ILE A 58 5.672 -2.586 0.950 1.00 71.52 H new ATOM 0 HD12 ILE A 58 4.427 -3.782 1.385 1.00 71.52 H new ATOM 0 HD13 ILE A 58 6.151 -4.191 1.553 1.00 71.52 H new ATOM 979 N ARG A 59 5.076 -8.364 -2.882 1.00 4.13 N ATOM 980 CA ARG A 59 4.744 -9.780 -2.983 1.00 52.51 C ATOM 981 C ARG A 59 5.541 -10.558 -1.925 1.00 63.43 C ATOM 982 O ARG A 59 6.763 -10.682 -2.037 1.00 52.13 O ATOM 983 CB ARG A 59 5.024 -10.280 -4.415 1.00 61.52 C ATOM 984 CG ARG A 59 4.673 -11.758 -4.650 1.00 52.04 C ATOM 985 CD ARG A 59 4.884 -12.187 -6.109 1.00 2.23 C ATOM 986 NE ARG A 59 6.206 -11.808 -6.630 1.00 63.03 N ATOM 987 CZ ARG A 59 6.748 -12.250 -7.770 1.00 22.21 C ATOM 988 NH1 ARG A 59 6.098 -13.121 -8.549 1.00 2.10 N ATOM 989 NH2 ARG A 59 7.935 -11.784 -8.136 1.00 34.20 N ATOM 0 H ARG A 59 5.920 -8.100 -3.390 1.00 4.13 H new ATOM 0 HA ARG A 59 3.684 -9.941 -2.788 1.00 52.51 H new ATOM 0 HB2 ARG A 59 4.458 -9.668 -5.118 1.00 61.52 H new ATOM 0 HB3 ARG A 59 6.080 -10.129 -4.640 1.00 61.52 H new ATOM 0 HG2 ARG A 59 5.286 -12.382 -3.999 1.00 52.04 H new ATOM 0 HG3 ARG A 59 3.634 -11.930 -4.371 1.00 52.04 H new ATOM 0 HD2 ARG A 59 4.765 -13.268 -6.186 1.00 2.23 H new ATOM 0 HD3 ARG A 59 4.111 -11.736 -6.731 1.00 2.23 H new ATOM 0 HE ARG A 59 6.756 -11.153 -6.075 1.00 63.03 H new ATOM 0 HH11 ARG A 59 5.175 -13.458 -8.277 1.00 2.10 H new ATOM 0 HH12 ARG A 59 6.526 -13.448 -9.415 1.00 2.10 H new ATOM 0 HH21 ARG A 59 8.417 -11.101 -7.551 1.00 34.20 H new ATOM 0 HH22 ARG A 59 8.365 -12.109 -9.002 1.00 34.20 H new ATOM 1003 N GLY A 60 4.835 -11.040 -0.882 1.00 54.43 N ATOM 1004 CA GLY A 60 5.451 -11.816 0.198 1.00 71.22 C ATOM 1005 C GLY A 60 6.203 -10.936 1.201 1.00 5.13 C ATOM 1006 O GLY A 60 7.355 -10.562 0.956 1.00 54.44 O ATOM 0 H GLY A 60 3.831 -10.901 -0.771 1.00 54.43 H new ATOM 0 HA2 GLY A 60 4.679 -12.379 0.722 1.00 71.22 H new ATOM 0 HA3 GLY A 60 6.141 -12.543 -0.230 1.00 71.22 H new ATOM 1010 N ALA A 61 5.545 -10.599 2.325 1.00 72.01 N ATOM 1011 CA ALA A 61 6.129 -9.761 3.390 1.00 72.11 C ATOM 1012 C ALA A 61 5.824 -10.360 4.771 1.00 24.00 C ATOM 1013 O ALA A 61 5.128 -11.373 4.881 1.00 40.34 O ATOM 1014 CB ALA A 61 5.580 -8.322 3.290 1.00 32.22 C ATOM 0 H ALA A 61 4.591 -10.901 2.522 1.00 72.01 H new ATOM 0 HA ALA A 61 7.211 -9.732 3.262 1.00 72.11 H new ATOM 0 HB1 ALA A 61 6.016 -7.710 4.080 1.00 32.22 H new ATOM 0 HB2 ALA A 61 5.840 -7.900 2.319 1.00 32.22 H new ATOM 0 HB3 ALA A 61 4.496 -8.338 3.400 1.00 32.22 H new ATOM 1020 N THR A 62 6.352 -9.709 5.808 1.00 41.33 N ATOM 1021 CA THR A 62 6.102 -10.066 7.207 1.00 61.15 C ATOM 1022 C THR A 62 6.157 -8.780 8.063 1.00 11.21 C ATOM 1023 O THR A 62 6.359 -7.694 7.497 1.00 41.33 O ATOM 1024 CB THR A 62 7.116 -11.162 7.692 1.00 23.13 C ATOM 1025 OG1 THR A 62 6.674 -11.716 8.942 1.00 33.22 O ATOM 1026 CG2 THR A 62 8.559 -10.622 7.829 1.00 13.01 C ATOM 0 H THR A 62 6.974 -8.908 5.700 1.00 41.33 H new ATOM 0 HA THR A 62 5.110 -10.505 7.314 1.00 61.15 H new ATOM 0 HB THR A 62 7.140 -11.940 6.929 1.00 23.13 H new ATOM 0 HG1 THR A 62 7.309 -12.400 9.239 1.00 33.22 H new ATOM 0 HG21 THR A 62 9.217 -11.423 8.167 1.00 13.01 H new ATOM 0 HG22 THR A 62 8.903 -10.254 6.862 1.00 13.01 H new ATOM 0 HG23 THR A 62 8.576 -9.808 8.554 1.00 13.01 H new ATOM 1034 N GLU A 63 5.987 -8.901 9.409 1.00 71.20 N ATOM 1035 CA GLU A 63 5.894 -7.734 10.320 1.00 43.35 C ATOM 1036 C GLU A 63 7.100 -6.808 10.168 1.00 22.13 C ATOM 1037 O GLU A 63 6.935 -5.597 10.093 1.00 52.20 O ATOM 1038 CB GLU A 63 5.753 -8.151 11.813 1.00 11.33 C ATOM 1039 CG GLU A 63 4.478 -8.932 12.174 1.00 3.15 C ATOM 1040 CD GLU A 63 4.278 -9.049 13.693 1.00 12.33 C ATOM 1041 OE1 GLU A 63 4.758 -10.028 14.300 1.00 71.22 O ATOM 1042 OE2 GLU A 63 3.657 -8.149 14.297 1.00 63.00 O ATOM 0 H GLU A 63 5.912 -9.800 9.884 1.00 71.20 H new ATOM 0 HA GLU A 63 4.989 -7.201 10.028 1.00 43.35 H new ATOM 0 HB2 GLU A 63 6.617 -8.758 12.084 1.00 11.33 H new ATOM 0 HB3 GLU A 63 5.791 -7.251 12.427 1.00 11.33 H new ATOM 0 HG2 GLU A 63 3.613 -8.436 11.733 1.00 3.15 H new ATOM 0 HG3 GLU A 63 4.530 -9.930 11.738 1.00 3.15 H new ATOM 1049 N GLU A 64 8.301 -7.410 10.084 1.00 41.40 N ATOM 1050 CA GLU A 64 9.568 -6.664 10.015 1.00 51.42 C ATOM 1051 C GLU A 64 9.715 -5.896 8.691 1.00 41.42 C ATOM 1052 O GLU A 64 10.311 -4.827 8.675 1.00 45.45 O ATOM 1053 CB GLU A 64 10.782 -7.602 10.243 1.00 14.43 C ATOM 1054 CG GLU A 64 10.700 -8.428 11.545 1.00 31.12 C ATOM 1055 CD GLU A 64 10.380 -7.589 12.799 1.00 42.42 C ATOM 1056 OE1 GLU A 64 9.192 -7.525 13.203 1.00 2.41 O ATOM 1057 OE2 GLU A 64 11.309 -7.008 13.393 1.00 3.35 O ATOM 0 H GLU A 64 8.419 -8.423 10.062 1.00 41.40 H new ATOM 0 HA GLU A 64 9.547 -5.927 10.818 1.00 51.42 H new ATOM 0 HB2 GLU A 64 10.866 -8.284 9.397 1.00 14.43 H new ATOM 0 HB3 GLU A 64 11.693 -7.003 10.261 1.00 14.43 H new ATOM 0 HG2 GLU A 64 9.935 -9.196 11.429 1.00 31.12 H new ATOM 0 HG3 GLU A 64 11.648 -8.943 11.697 1.00 31.12 H new ATOM 1064 N VAL A 65 9.174 -6.457 7.588 1.00 14.30 N ATOM 1065 CA VAL A 65 9.146 -5.788 6.271 1.00 62.33 C ATOM 1066 C VAL A 65 8.222 -4.554 6.319 1.00 62.44 C ATOM 1067 O VAL A 65 8.657 -3.413 6.082 1.00 43.21 O ATOM 1068 CB VAL A 65 8.643 -6.771 5.142 1.00 53.43 C ATOM 1069 CG1 VAL A 65 8.580 -6.087 3.754 1.00 13.55 C ATOM 1070 CG2 VAL A 65 9.508 -8.052 5.084 1.00 50.43 C ATOM 0 H VAL A 65 8.746 -7.383 7.586 1.00 14.30 H new ATOM 0 HA VAL A 65 10.164 -5.476 6.036 1.00 62.33 H new ATOM 0 HB VAL A 65 7.626 -7.058 5.408 1.00 53.43 H new ATOM 0 HG11 VAL A 65 8.229 -6.803 3.011 1.00 13.55 H new ATOM 0 HG12 VAL A 65 7.894 -5.241 3.796 1.00 13.55 H new ATOM 0 HG13 VAL A 65 9.573 -5.734 3.477 1.00 13.55 H new ATOM 0 HG21 VAL A 65 9.135 -8.707 4.297 1.00 50.43 H new ATOM 0 HG22 VAL A 65 10.543 -7.783 4.873 1.00 50.43 H new ATOM 0 HG23 VAL A 65 9.456 -8.570 6.042 1.00 50.43 H new ATOM 1080 N VAL A 66 6.955 -4.814 6.689 1.00 51.24 N ATOM 1081 CA VAL A 66 5.876 -3.827 6.601 1.00 20.25 C ATOM 1082 C VAL A 66 6.133 -2.652 7.567 1.00 35.34 C ATOM 1083 O VAL A 66 6.096 -1.500 7.144 1.00 11.23 O ATOM 1084 CB VAL A 66 4.465 -4.476 6.877 1.00 13.32 C ATOM 1085 CG1 VAL A 66 3.330 -3.443 6.667 1.00 63.33 C ATOM 1086 CG2 VAL A 66 4.234 -5.733 5.997 1.00 54.00 C ATOM 0 H VAL A 66 6.655 -5.717 7.057 1.00 51.24 H new ATOM 0 HA VAL A 66 5.866 -3.444 5.581 1.00 20.25 H new ATOM 0 HB VAL A 66 4.450 -4.795 7.919 1.00 13.32 H new ATOM 0 HG11 VAL A 66 2.367 -3.915 6.863 1.00 63.33 H new ATOM 0 HG12 VAL A 66 3.469 -2.605 7.350 1.00 63.33 H new ATOM 0 HG13 VAL A 66 3.353 -3.081 5.639 1.00 63.33 H new ATOM 0 HG21 VAL A 66 3.252 -6.154 6.214 1.00 54.00 H new ATOM 0 HG22 VAL A 66 4.285 -5.455 4.944 1.00 54.00 H new ATOM 0 HG23 VAL A 66 5.002 -6.475 6.214 1.00 54.00 H new ATOM 1096 N ARG A 67 6.461 -2.967 8.848 1.00 0.10 N ATOM 1097 CA ARG A 67 6.700 -1.938 9.893 1.00 3.13 C ATOM 1098 C ARG A 67 7.876 -1.011 9.499 1.00 13.32 C ATOM 1099 O ARG A 67 7.822 0.192 9.730 1.00 42.45 O ATOM 1100 CB ARG A 67 6.963 -2.585 11.300 1.00 33.12 C ATOM 1101 CG ARG A 67 8.379 -3.194 11.504 1.00 30.14 C ATOM 1102 CD ARG A 67 8.615 -3.739 12.925 1.00 72.43 C ATOM 1103 NE ARG A 67 7.795 -4.928 13.232 1.00 75.34 N ATOM 1104 CZ ARG A 67 7.001 -5.074 14.305 1.00 12.32 C ATOM 1105 NH1 ARG A 67 6.881 -4.106 15.208 1.00 41.53 N ATOM 1106 NH2 ARG A 67 6.355 -6.214 14.487 1.00 74.21 N ATOM 0 H ARG A 67 6.566 -3.925 9.181 1.00 0.10 H new ATOM 0 HA ARG A 67 5.792 -1.339 9.966 1.00 3.13 H new ATOM 0 HB2 ARG A 67 6.799 -1.826 12.065 1.00 33.12 H new ATOM 0 HB3 ARG A 67 6.223 -3.368 11.464 1.00 33.12 H new ATOM 0 HG2 ARG A 67 8.526 -4.000 10.785 1.00 30.14 H new ATOM 0 HG3 ARG A 67 9.128 -2.433 11.287 1.00 30.14 H new ATOM 0 HD2 ARG A 67 9.669 -3.992 13.040 1.00 72.43 H new ATOM 0 HD3 ARG A 67 8.394 -2.955 13.650 1.00 72.43 H new ATOM 0 HE ARG A 67 7.835 -5.705 12.572 1.00 75.34 H new ATOM 0 HH11 ARG A 67 7.397 -3.234 15.092 1.00 41.53 H new ATOM 0 HH12 ARG A 67 6.273 -4.235 16.017 1.00 41.53 H new ATOM 0 HH21 ARG A 67 6.462 -6.974 13.815 1.00 74.21 H new ATOM 0 HH22 ARG A 67 5.750 -6.333 15.299 1.00 74.21 H new ATOM 1120 N ASP A 68 8.901 -1.613 8.864 1.00 41.20 N ATOM 1121 CA ASP A 68 10.143 -0.939 8.439 1.00 15.41 C ATOM 1122 C ASP A 68 9.863 0.117 7.348 1.00 61.41 C ATOM 1123 O ASP A 68 10.468 1.204 7.326 1.00 5.21 O ATOM 1124 CB ASP A 68 11.124 -2.026 7.933 1.00 23.04 C ATOM 1125 CG ASP A 68 12.444 -1.498 7.380 1.00 22.14 C ATOM 1126 OD1 ASP A 68 12.824 -1.860 6.242 1.00 54.32 O ATOM 1127 OD2 ASP A 68 13.136 -0.745 8.093 1.00 33.32 O ATOM 0 H ASP A 68 8.887 -2.605 8.627 1.00 41.20 H new ATOM 0 HA ASP A 68 10.583 -0.403 9.280 1.00 15.41 H new ATOM 0 HB2 ASP A 68 11.339 -2.710 8.754 1.00 23.04 H new ATOM 0 HB3 ASP A 68 10.628 -2.607 7.155 1.00 23.04 H new ATOM 1132 N ILE A 69 8.946 -0.238 6.445 1.00 40.22 N ATOM 1133 CA ILE A 69 8.465 0.643 5.373 1.00 45.43 C ATOM 1134 C ILE A 69 7.492 1.732 5.903 1.00 62.34 C ATOM 1135 O ILE A 69 7.592 2.911 5.524 1.00 33.31 O ATOM 1136 CB ILE A 69 7.749 -0.220 4.279 1.00 62.14 C ATOM 1137 CG1 ILE A 69 8.755 -1.216 3.619 1.00 10.24 C ATOM 1138 CG2 ILE A 69 7.057 0.668 3.226 1.00 1.23 C ATOM 1139 CD1 ILE A 69 8.118 -2.209 2.672 1.00 2.40 C ATOM 0 H ILE A 69 8.509 -1.159 6.436 1.00 40.22 H new ATOM 0 HA ILE A 69 9.327 1.156 4.948 1.00 45.43 H new ATOM 0 HB ILE A 69 6.969 -0.805 4.766 1.00 62.14 H new ATOM 0 HG12 ILE A 69 9.509 -0.646 3.076 1.00 10.24 H new ATOM 0 HG13 ILE A 69 9.275 -1.764 4.405 1.00 10.24 H new ATOM 0 HG21 ILE A 69 6.570 0.038 2.482 1.00 1.23 H new ATOM 0 HG22 ILE A 69 6.311 1.296 3.713 1.00 1.23 H new ATOM 0 HG23 ILE A 69 7.800 1.299 2.737 1.00 1.23 H new ATOM 0 HD11 ILE A 69 8.887 -2.862 2.258 1.00 2.40 H new ATOM 0 HD12 ILE A 69 7.385 -2.808 3.212 1.00 2.40 H new ATOM 0 HD13 ILE A 69 7.623 -1.673 1.862 1.00 2.40 H new ATOM 1151 N VAL A 70 6.559 1.322 6.778 1.00 62.32 N ATOM 1152 CA VAL A 70 5.473 2.193 7.254 1.00 30.40 C ATOM 1153 C VAL A 70 6.036 3.328 8.136 1.00 41.34 C ATOM 1154 O VAL A 70 5.679 4.491 7.935 1.00 3.35 O ATOM 1155 CB VAL A 70 4.354 1.364 8.001 1.00 1.54 C ATOM 1156 CG1 VAL A 70 3.325 2.277 8.696 1.00 33.23 C ATOM 1157 CG2 VAL A 70 3.630 0.407 7.015 1.00 42.13 C ATOM 0 H VAL A 70 6.536 0.382 7.173 1.00 62.32 H new ATOM 0 HA VAL A 70 4.998 2.652 6.387 1.00 30.40 H new ATOM 0 HB VAL A 70 4.853 0.776 8.771 1.00 1.54 H new ATOM 0 HG11 VAL A 70 2.575 1.665 9.196 1.00 33.23 H new ATOM 0 HG12 VAL A 70 3.832 2.903 9.431 1.00 33.23 H new ATOM 0 HG13 VAL A 70 2.840 2.910 7.953 1.00 33.23 H new ATOM 0 HG21 VAL A 70 2.864 -0.154 7.549 1.00 42.13 H new ATOM 0 HG22 VAL A 70 3.165 0.988 6.219 1.00 42.13 H new ATOM 0 HG23 VAL A 70 4.353 -0.286 6.584 1.00 42.13 H new ATOM 1167 N GLU A 71 6.972 2.982 9.052 1.00 33.42 N ATOM 1168 CA GLU A 71 7.650 3.967 9.930 1.00 33.52 C ATOM 1169 C GLU A 71 8.414 5.011 9.099 1.00 3.21 C ATOM 1170 O GLU A 71 8.515 6.175 9.496 1.00 15.25 O ATOM 1171 CB GLU A 71 8.636 3.269 10.900 1.00 32.44 C ATOM 1172 CG GLU A 71 9.823 2.567 10.215 1.00 30.35 C ATOM 1173 CD GLU A 71 10.779 1.884 11.192 1.00 63.12 C ATOM 1174 OE1 GLU A 71 10.487 0.753 11.630 1.00 31.11 O ATOM 1175 OE2 GLU A 71 11.826 2.471 11.528 1.00 63.44 O ATOM 0 H GLU A 71 7.277 2.020 9.203 1.00 33.42 H new ATOM 0 HA GLU A 71 6.874 4.466 10.511 1.00 33.52 H new ATOM 0 HB2 GLU A 71 9.024 4.011 11.598 1.00 32.44 H new ATOM 0 HB3 GLU A 71 8.087 2.534 11.488 1.00 32.44 H new ATOM 0 HG2 GLU A 71 9.440 1.824 9.516 1.00 30.35 H new ATOM 0 HG3 GLU A 71 10.378 3.300 9.629 1.00 30.35 H new ATOM 1182 N TYR A 72 8.939 4.562 7.939 1.00 44.11 N ATOM 1183 CA TYR A 72 9.668 5.412 6.999 1.00 73.40 C ATOM 1184 C TYR A 72 8.721 6.483 6.444 1.00 50.21 C ATOM 1185 O TYR A 72 9.033 7.670 6.481 1.00 34.02 O ATOM 1186 CB TYR A 72 10.269 4.546 5.858 1.00 5.32 C ATOM 1187 CG TYR A 72 11.280 5.286 4.977 1.00 74.34 C ATOM 1188 CD1 TYR A 72 12.631 5.281 5.300 1.00 62.22 C ATOM 1189 CD2 TYR A 72 10.887 5.991 3.832 1.00 4.50 C ATOM 1190 CE1 TYR A 72 13.550 5.953 4.536 1.00 30.41 C ATOM 1191 CE2 TYR A 72 11.809 6.663 3.059 1.00 50.44 C ATOM 1192 CZ TYR A 72 13.141 6.637 3.419 1.00 23.11 C ATOM 1193 OH TYR A 72 14.070 7.321 2.681 1.00 22.21 O ATOM 0 H TYR A 72 8.863 3.591 7.635 1.00 44.11 H new ATOM 0 HA TYR A 72 10.492 5.910 7.511 1.00 73.40 H new ATOM 0 HB2 TYR A 72 10.755 3.674 6.296 1.00 5.32 H new ATOM 0 HB3 TYR A 72 9.458 4.177 5.230 1.00 5.32 H new ATOM 0 HD1 TYR A 72 12.964 4.736 6.171 1.00 62.22 H new ATOM 0 HD2 TYR A 72 9.844 6.008 3.550 1.00 4.50 H new ATOM 0 HE1 TYR A 72 14.594 5.944 4.813 1.00 30.41 H new ATOM 0 HE2 TYR A 72 11.492 7.205 2.180 1.00 50.44 H new ATOM 0 HH TYR A 72 14.939 6.874 2.754 1.00 22.21 H new ATOM 1203 N ALA A 73 7.545 6.027 5.979 1.00 75.44 N ATOM 1204 CA ALA A 73 6.478 6.893 5.447 1.00 23.33 C ATOM 1205 C ALA A 73 5.893 7.831 6.530 1.00 14.02 C ATOM 1206 O ALA A 73 5.390 8.918 6.215 1.00 43.01 O ATOM 1207 CB ALA A 73 5.377 6.022 4.834 1.00 3.34 C ATOM 0 H ALA A 73 7.306 5.036 5.962 1.00 75.44 H new ATOM 0 HA ALA A 73 6.911 7.533 4.678 1.00 23.33 H new ATOM 0 HB1 ALA A 73 4.586 6.660 4.439 1.00 3.34 H new ATOM 0 HB2 ALA A 73 5.796 5.421 4.026 1.00 3.34 H new ATOM 0 HB3 ALA A 73 4.965 5.364 5.599 1.00 3.34 H new ATOM 1213 N GLN A 74 5.961 7.390 7.804 1.00 75.20 N ATOM 1214 CA GLN A 74 5.526 8.190 8.966 1.00 11.30 C ATOM 1215 C GLN A 74 6.573 9.280 9.317 1.00 75.44 C ATOM 1216 O GLN A 74 6.207 10.328 9.866 1.00 55.15 O ATOM 1217 CB GLN A 74 5.230 7.270 10.189 1.00 75.12 C ATOM 1218 CG GLN A 74 4.059 6.272 9.962 1.00 42.42 C ATOM 1219 CD GLN A 74 3.774 5.369 11.170 1.00 74.22 C ATOM 1220 OE1 GLN A 74 4.366 4.299 11.317 1.00 74.43 O ATOM 1221 NE2 GLN A 74 2.839 5.767 12.023 1.00 73.22 N ATOM 0 H GLN A 74 6.319 6.469 8.055 1.00 75.20 H new ATOM 0 HA GLN A 74 4.600 8.700 8.700 1.00 11.30 H new ATOM 0 HB2 GLN A 74 6.131 6.707 10.434 1.00 75.12 H new ATOM 0 HB3 GLN A 74 5.000 7.894 11.053 1.00 75.12 H new ATOM 0 HG2 GLN A 74 3.157 6.833 9.719 1.00 42.42 H new ATOM 0 HG3 GLN A 74 4.288 5.647 9.099 1.00 42.42 H new ATOM 0 HE21 GLN A 74 2.363 6.658 11.879 1.00 73.22 H new ATOM 0 HE22 GLN A 74 2.596 5.182 12.823 1.00 73.22 H new ATOM 1230 N LYS A 75 7.874 9.034 8.991 1.00 41.20 N ATOM 1231 CA LYS A 75 8.933 10.077 9.088 1.00 53.35 C ATOM 1232 C LYS A 75 8.681 11.160 8.030 1.00 63.24 C ATOM 1233 O LYS A 75 8.872 12.352 8.287 1.00 62.01 O ATOM 1234 CB LYS A 75 10.368 9.519 8.845 1.00 32.10 C ATOM 1235 CG LYS A 75 10.856 8.423 9.811 1.00 14.21 C ATOM 1236 CD LYS A 75 12.363 8.083 9.633 1.00 23.22 C ATOM 1237 CE LYS A 75 12.739 7.539 8.233 1.00 43.41 C ATOM 1238 NZ LYS A 75 12.738 8.565 7.143 1.00 23.33 N ATOM 0 H LYS A 75 8.211 8.129 8.661 1.00 41.20 H new ATOM 0 HA LYS A 75 8.882 10.470 10.103 1.00 53.35 H new ATOM 0 HB2 LYS A 75 10.412 9.123 7.831 1.00 32.10 H new ATOM 0 HB3 LYS A 75 11.070 10.352 8.893 1.00 32.10 H new ATOM 0 HG2 LYS A 75 10.681 8.747 10.837 1.00 14.21 H new ATOM 0 HG3 LYS A 75 10.265 7.520 9.656 1.00 14.21 H new ATOM 0 HD2 LYS A 75 12.950 8.980 9.830 1.00 23.22 H new ATOM 0 HD3 LYS A 75 12.647 7.345 10.383 1.00 23.22 H new ATOM 0 HE2 LYS A 75 13.730 7.087 8.288 1.00 43.41 H new ATOM 0 HE3 LYS A 75 12.041 6.745 7.967 1.00 43.41 H new ATOM 0 HZ1 LYS A 75 13.591 8.452 6.559 1.00 23.33 H new ATOM 0 HZ2 LYS A 75 11.893 8.440 6.549 1.00 23.33 H new ATOM 0 HZ3 LYS A 75 12.729 9.517 7.562 1.00 23.33 H new ATOM 1252 N GLU A 76 8.277 10.707 6.822 1.00 62.45 N ATOM 1253 CA GLU A 76 7.944 11.596 5.699 1.00 20.24 C ATOM 1254 C GLU A 76 6.662 12.395 6.023 1.00 4.21 C ATOM 1255 O GLU A 76 6.437 13.484 5.477 1.00 73.23 O ATOM 1256 CB GLU A 76 7.748 10.783 4.387 1.00 4.33 C ATOM 1257 CG GLU A 76 8.805 9.694 4.092 1.00 74.50 C ATOM 1258 CD GLU A 76 10.274 10.141 4.222 1.00 44.30 C ATOM 1259 OE1 GLU A 76 10.784 10.819 3.306 1.00 61.43 O ATOM 1260 OE2 GLU A 76 10.933 9.797 5.236 1.00 22.25 O ATOM 0 H GLU A 76 8.175 9.716 6.604 1.00 62.45 H new ATOM 0 HA GLU A 76 8.772 12.289 5.551 1.00 20.24 H new ATOM 0 HB2 GLU A 76 6.768 10.308 4.422 1.00 4.33 H new ATOM 0 HB3 GLU A 76 7.734 11.482 3.550 1.00 4.33 H new ATOM 0 HG2 GLU A 76 8.637 8.857 4.770 1.00 74.50 H new ATOM 0 HG3 GLU A 76 8.645 9.322 3.080 1.00 74.50 H new ATOM 1267 N GLY A 77 5.840 11.823 6.931 1.00 51.23 N ATOM 1268 CA GLY A 77 4.617 12.455 7.416 1.00 72.05 C ATOM 1269 C GLY A 77 3.498 12.429 6.389 1.00 33.23 C ATOM 1270 O GLY A 77 2.648 13.327 6.359 1.00 73.00 O ATOM 0 H GLY A 77 6.017 10.907 7.343 1.00 51.23 H new ATOM 0 HA2 GLY A 77 4.285 11.948 8.322 1.00 72.05 H new ATOM 0 HA3 GLY A 77 4.830 13.488 7.689 1.00 72.05 H new ATOM 1274 N LEU A 78 3.514 11.391 5.542 1.00 32.12 N ATOM 1275 CA LEU A 78 2.528 11.211 4.463 1.00 23.53 C ATOM 1276 C LEU A 78 1.350 10.357 4.963 1.00 74.33 C ATOM 1277 O LEU A 78 1.474 9.650 5.973 1.00 71.11 O ATOM 1278 CB LEU A 78 3.213 10.562 3.220 1.00 20.21 C ATOM 1279 CG LEU A 78 4.472 11.314 2.677 1.00 14.55 C ATOM 1280 CD1 LEU A 78 5.044 10.648 1.409 1.00 64.35 C ATOM 1281 CD2 LEU A 78 4.173 12.801 2.429 1.00 21.23 C ATOM 0 H LEU A 78 4.213 10.649 5.584 1.00 32.12 H new ATOM 0 HA LEU A 78 2.135 12.183 4.164 1.00 23.53 H new ATOM 0 HB2 LEU A 78 3.503 9.543 3.477 1.00 20.21 H new ATOM 0 HB3 LEU A 78 2.479 10.492 2.417 1.00 20.21 H new ATOM 0 HG LEU A 78 5.237 11.247 3.451 1.00 14.55 H new ATOM 0 HD11 LEU A 78 5.917 11.204 1.068 1.00 64.35 H new ATOM 0 HD12 LEU A 78 5.334 9.622 1.636 1.00 64.35 H new ATOM 0 HD13 LEU A 78 4.286 10.646 0.626 1.00 64.35 H new ATOM 0 HD21 LEU A 78 5.069 13.294 2.052 1.00 21.23 H new ATOM 0 HD22 LEU A 78 3.372 12.894 1.696 1.00 21.23 H new ATOM 0 HD23 LEU A 78 3.866 13.271 3.363 1.00 21.23 H new ATOM 1293 N ARG A 79 0.202 10.457 4.270 1.00 14.24 N ATOM 1294 CA ARG A 79 -0.987 9.651 4.573 1.00 24.01 C ATOM 1295 C ARG A 79 -0.724 8.182 4.169 1.00 2.10 C ATOM 1296 O ARG A 79 -0.560 7.889 2.980 1.00 42.14 O ATOM 1297 CB ARG A 79 -2.222 10.228 3.824 1.00 23.01 C ATOM 1298 CG ARG A 79 -3.548 9.475 4.072 1.00 32.44 C ATOM 1299 CD ARG A 79 -4.019 9.539 5.536 1.00 20.53 C ATOM 1300 NE ARG A 79 -4.375 10.911 5.948 1.00 23.35 N ATOM 1301 CZ ARG A 79 -5.607 11.318 6.314 1.00 13.41 C ATOM 1302 NH1 ARG A 79 -6.634 10.468 6.326 1.00 3.55 N ATOM 1303 NH2 ARG A 79 -5.801 12.586 6.663 1.00 40.14 N ATOM 0 H ARG A 79 0.076 11.098 3.487 1.00 14.24 H new ATOM 0 HA ARG A 79 -1.196 9.685 5.642 1.00 24.01 H new ATOM 0 HB2 ARG A 79 -2.353 11.269 4.119 1.00 23.01 H new ATOM 0 HB3 ARG A 79 -2.014 10.223 2.754 1.00 23.01 H new ATOM 0 HG2 ARG A 79 -4.322 9.895 3.430 1.00 32.44 H new ATOM 0 HG3 ARG A 79 -3.425 8.431 3.782 1.00 32.44 H new ATOM 0 HD2 ARG A 79 -4.882 8.887 5.667 1.00 20.53 H new ATOM 0 HD3 ARG A 79 -3.231 9.159 6.186 1.00 20.53 H new ATOM 0 HE ARG A 79 -3.629 11.607 5.956 1.00 23.35 H new ATOM 0 HH11 ARG A 79 -6.493 9.495 6.056 1.00 3.55 H new ATOM 0 HH12 ARG A 79 -7.560 10.791 6.605 1.00 3.55 H new ATOM 0 HH21 ARG A 79 -5.021 13.243 6.653 1.00 40.14 H new ATOM 0 HH22 ARG A 79 -6.730 12.902 6.941 1.00 40.14 H new ATOM 1317 N VAL A 80 -0.660 7.275 5.173 1.00 23.24 N ATOM 1318 CA VAL A 80 -0.309 5.851 4.964 1.00 2.45 C ATOM 1319 C VAL A 80 -1.588 4.981 5.000 1.00 23.44 C ATOM 1320 O VAL A 80 -2.254 4.892 6.039 1.00 11.15 O ATOM 1321 CB VAL A 80 0.731 5.326 6.040 1.00 2.44 C ATOM 1322 CG1 VAL A 80 1.278 3.929 5.653 1.00 22.12 C ATOM 1323 CG2 VAL A 80 1.889 6.333 6.251 1.00 34.40 C ATOM 0 H VAL A 80 -0.850 7.510 6.147 1.00 23.24 H new ATOM 0 HA VAL A 80 0.164 5.772 3.985 1.00 2.45 H new ATOM 0 HB VAL A 80 0.199 5.231 6.987 1.00 2.44 H new ATOM 0 HG11 VAL A 80 1.989 3.594 6.409 1.00 22.12 H new ATOM 0 HG12 VAL A 80 0.453 3.219 5.591 1.00 22.12 H new ATOM 0 HG13 VAL A 80 1.778 3.989 4.686 1.00 22.12 H new ATOM 0 HG21 VAL A 80 2.582 5.940 6.995 1.00 34.40 H new ATOM 0 HG22 VAL A 80 2.416 6.485 5.309 1.00 34.40 H new ATOM 0 HG23 VAL A 80 1.485 7.284 6.598 1.00 34.40 H new ATOM 1333 N LEU A 81 -1.929 4.371 3.845 1.00 10.55 N ATOM 1334 CA LEU A 81 -3.087 3.465 3.691 1.00 44.03 C ATOM 1335 C LEU A 81 -2.550 2.064 3.363 1.00 50.32 C ATOM 1336 O LEU A 81 -2.003 1.855 2.281 1.00 4.52 O ATOM 1337 CB LEU A 81 -4.031 3.911 2.526 1.00 71.53 C ATOM 1338 CG LEU A 81 -4.634 5.355 2.544 1.00 34.51 C ATOM 1339 CD1 LEU A 81 -5.301 5.686 3.887 1.00 23.22 C ATOM 1340 CD2 LEU A 81 -3.596 6.412 2.131 1.00 12.21 C ATOM 0 H LEU A 81 -1.400 4.496 2.982 1.00 10.55 H new ATOM 0 HA LEU A 81 -3.661 3.480 4.617 1.00 44.03 H new ATOM 0 HB2 LEU A 81 -3.478 3.798 1.594 1.00 71.53 H new ATOM 0 HB3 LEU A 81 -4.863 3.208 2.490 1.00 71.53 H new ATOM 0 HG LEU A 81 -5.424 5.380 1.794 1.00 34.51 H new ATOM 0 HD11 LEU A 81 -5.705 6.698 3.853 1.00 23.22 H new ATOM 0 HD12 LEU A 81 -6.109 4.979 4.076 1.00 23.22 H new ATOM 0 HD13 LEU A 81 -4.563 5.617 4.686 1.00 23.22 H new ATOM 0 HD21 LEU A 81 -4.054 7.401 2.156 1.00 12.21 H new ATOM 0 HD22 LEU A 81 -2.754 6.384 2.822 1.00 12.21 H new ATOM 0 HD23 LEU A 81 -3.244 6.201 1.121 1.00 12.21 H new ATOM 1352 N VAL A 82 -2.708 1.106 4.277 1.00 72.44 N ATOM 1353 CA VAL A 82 -2.148 -0.247 4.119 1.00 41.01 C ATOM 1354 C VAL A 82 -3.277 -1.265 3.884 1.00 63.11 C ATOM 1355 O VAL A 82 -4.120 -1.486 4.759 1.00 3.51 O ATOM 1356 CB VAL A 82 -1.273 -0.672 5.362 1.00 43.52 C ATOM 1357 CG1 VAL A 82 -0.659 -2.089 5.183 1.00 41.31 C ATOM 1358 CG2 VAL A 82 -0.179 0.382 5.648 1.00 12.54 C ATOM 0 H VAL A 82 -3.225 1.240 5.146 1.00 72.44 H new ATOM 0 HA VAL A 82 -1.492 -0.232 3.249 1.00 41.01 H new ATOM 0 HB VAL A 82 -1.934 -0.720 6.227 1.00 43.52 H new ATOM 0 HG11 VAL A 82 -0.065 -2.342 6.061 1.00 41.31 H new ATOM 0 HG12 VAL A 82 -1.459 -2.820 5.064 1.00 41.31 H new ATOM 0 HG13 VAL A 82 -0.022 -2.101 4.298 1.00 41.31 H new ATOM 0 HG21 VAL A 82 0.412 0.069 6.509 1.00 12.54 H new ATOM 0 HG22 VAL A 82 0.470 0.478 4.778 1.00 12.54 H new ATOM 0 HG23 VAL A 82 -0.647 1.344 5.860 1.00 12.54 H new ATOM 1368 N ILE A 83 -3.303 -1.854 2.673 1.00 43.10 N ATOM 1369 CA ILE A 83 -4.180 -2.986 2.341 1.00 42.25 C ATOM 1370 C ILE A 83 -3.335 -4.263 2.342 1.00 74.51 C ATOM 1371 O ILE A 83 -2.197 -4.258 1.875 1.00 21.33 O ATOM 1372 CB ILE A 83 -4.881 -2.827 0.939 1.00 15.32 C ATOM 1373 CG1 ILE A 83 -5.646 -1.478 0.875 1.00 45.14 C ATOM 1374 CG2 ILE A 83 -5.834 -4.022 0.649 1.00 43.02 C ATOM 1375 CD1 ILE A 83 -6.538 -1.310 -0.331 1.00 23.43 C ATOM 0 H ILE A 83 -2.713 -1.555 1.897 1.00 43.10 H new ATOM 0 HA ILE A 83 -4.972 -3.028 3.088 1.00 42.25 H new ATOM 0 HB ILE A 83 -4.111 -2.827 0.167 1.00 15.32 H new ATOM 0 HG12 ILE A 83 -6.253 -1.378 1.775 1.00 45.14 H new ATOM 0 HG13 ILE A 83 -4.921 -0.665 0.888 1.00 45.14 H new ATOM 0 HG21 ILE A 83 -6.304 -3.885 -0.325 1.00 43.02 H new ATOM 0 HG22 ILE A 83 -5.263 -4.951 0.649 1.00 43.02 H new ATOM 0 HG23 ILE A 83 -6.604 -4.069 1.419 1.00 43.02 H new ATOM 0 HD11 ILE A 83 -7.030 -0.338 -0.287 1.00 23.43 H new ATOM 0 HD12 ILE A 83 -5.938 -1.373 -1.239 1.00 23.43 H new ATOM 0 HD13 ILE A 83 -7.291 -2.098 -0.339 1.00 23.43 H new ATOM 1387 N MET A 84 -3.884 -5.345 2.889 1.00 34.31 N ATOM 1388 CA MET A 84 -3.248 -6.665 2.900 1.00 33.31 C ATOM 1389 C MET A 84 -4.285 -7.690 2.436 1.00 30.10 C ATOM 1390 O MET A 84 -5.340 -7.836 3.064 1.00 53.23 O ATOM 1391 CB MET A 84 -2.715 -6.968 4.325 1.00 4.43 C ATOM 1392 CG MET A 84 -1.513 -6.106 4.742 1.00 10.33 C ATOM 1393 SD MET A 84 -1.180 -6.177 6.510 1.00 64.44 S ATOM 1394 CE MET A 84 -2.500 -5.165 7.194 1.00 1.21 C ATOM 0 H MET A 84 -4.797 -5.332 3.344 1.00 34.31 H new ATOM 0 HA MET A 84 -2.394 -6.705 2.224 1.00 33.31 H new ATOM 0 HB2 MET A 84 -3.522 -6.819 5.042 1.00 4.43 H new ATOM 0 HB3 MET A 84 -2.431 -8.019 4.379 1.00 4.43 H new ATOM 0 HG2 MET A 84 -0.629 -6.437 4.197 1.00 10.33 H new ATOM 0 HG3 MET A 84 -1.697 -5.071 4.453 1.00 10.33 H new ATOM 0 HE1 MET A 84 -2.070 -4.365 7.796 1.00 1.21 H new ATOM 0 HE2 MET A 84 -3.086 -4.734 6.382 1.00 1.21 H new ATOM 0 HE3 MET A 84 -3.145 -5.782 7.819 1.00 1.21 H new ATOM 1404 N VAL A 85 -4.010 -8.356 1.296 1.00 50.12 N ATOM 1405 CA VAL A 85 -4.929 -9.328 0.684 1.00 34.50 C ATOM 1406 C VAL A 85 -4.208 -10.678 0.527 1.00 51.02 C ATOM 1407 O VAL A 85 -3.272 -10.781 -0.266 1.00 51.11 O ATOM 1408 CB VAL A 85 -5.449 -8.842 -0.722 1.00 21.41 C ATOM 1409 CG1 VAL A 85 -6.544 -9.787 -1.271 1.00 65.01 C ATOM 1410 CG2 VAL A 85 -5.943 -7.379 -0.667 1.00 33.33 C ATOM 0 H VAL A 85 -3.142 -8.232 0.775 1.00 50.12 H new ATOM 0 HA VAL A 85 -5.794 -9.432 1.339 1.00 34.50 H new ATOM 0 HB VAL A 85 -4.607 -8.875 -1.414 1.00 21.41 H new ATOM 0 HG11 VAL A 85 -6.883 -9.426 -2.242 1.00 65.01 H new ATOM 0 HG12 VAL A 85 -6.136 -10.792 -1.380 1.00 65.01 H new ATOM 0 HG13 VAL A 85 -7.385 -9.810 -0.578 1.00 65.01 H new ATOM 0 HG21 VAL A 85 -6.294 -7.076 -1.653 1.00 33.33 H new ATOM 0 HG22 VAL A 85 -6.760 -7.298 0.050 1.00 33.33 H new ATOM 0 HG23 VAL A 85 -5.124 -6.730 -0.359 1.00 33.33 H new ATOM 1420 N ASP A 86 -4.678 -11.695 1.268 1.00 73.12 N ATOM 1421 CA ASP A 86 -4.093 -13.053 1.288 1.00 14.41 C ATOM 1422 C ASP A 86 -4.917 -13.943 2.240 1.00 30.32 C ATOM 1423 O ASP A 86 -5.452 -13.448 3.233 1.00 2.24 O ATOM 1424 CB ASP A 86 -2.597 -13.015 1.724 1.00 11.23 C ATOM 1425 CG ASP A 86 -1.926 -14.394 1.701 1.00 54.54 C ATOM 1426 OD1 ASP A 86 -1.610 -14.893 0.599 1.00 44.22 O ATOM 1427 OD2 ASP A 86 -1.736 -14.996 2.773 1.00 33.51 O ATOM 0 H ASP A 86 -5.488 -11.599 1.881 1.00 73.12 H new ATOM 0 HA ASP A 86 -4.127 -13.469 0.281 1.00 14.41 H new ATOM 0 HB2 ASP A 86 -2.050 -12.341 1.065 1.00 11.23 H new ATOM 0 HB3 ASP A 86 -2.529 -12.602 2.730 1.00 11.23 H new ATOM 1432 N GLN A 87 -5.018 -15.251 1.926 1.00 24.25 N ATOM 1433 CA GLN A 87 -5.881 -16.205 2.660 1.00 42.11 C ATOM 1434 C GLN A 87 -5.416 -16.421 4.118 1.00 2.42 C ATOM 1435 O GLN A 87 -6.240 -16.728 4.995 1.00 32.41 O ATOM 1436 CB GLN A 87 -5.948 -17.552 1.900 1.00 13.41 C ATOM 1437 CG GLN A 87 -6.546 -17.459 0.479 1.00 61.14 C ATOM 1438 CD GLN A 87 -6.597 -18.809 -0.252 1.00 11.20 C ATOM 1439 OE1 GLN A 87 -6.743 -19.862 0.369 1.00 63.41 O ATOM 1440 NE2 GLN A 87 -6.484 -18.796 -1.572 1.00 24.12 N ATOM 0 H GLN A 87 -4.504 -15.678 1.156 1.00 24.25 H new ATOM 0 HA GLN A 87 -6.879 -15.770 2.711 1.00 42.11 H new ATOM 0 HB2 GLN A 87 -4.942 -17.965 1.830 1.00 13.41 H new ATOM 0 HB3 GLN A 87 -6.542 -18.255 2.485 1.00 13.41 H new ATOM 0 HG2 GLN A 87 -7.555 -17.051 0.544 1.00 61.14 H new ATOM 0 HG3 GLN A 87 -5.956 -16.757 -0.110 1.00 61.14 H new ATOM 0 HE21 GLN A 87 -6.364 -17.911 -2.065 1.00 24.12 H new ATOM 0 HE22 GLN A 87 -6.517 -19.671 -2.095 1.00 24.12 H new ATOM 1449 N ASP A 88 -4.103 -16.254 4.363 1.00 44.42 N ATOM 1450 CA ASP A 88 -3.513 -16.346 5.714 1.00 70.25 C ATOM 1451 C ASP A 88 -3.801 -15.067 6.511 1.00 13.31 C ATOM 1452 O ASP A 88 -2.951 -14.188 6.650 1.00 0.32 O ATOM 1453 CB ASP A 88 -1.989 -16.631 5.647 1.00 61.12 C ATOM 1454 CG ASP A 88 -1.671 -18.063 5.205 1.00 44.35 C ATOM 1455 OD1 ASP A 88 -1.472 -18.301 3.996 1.00 10.32 O ATOM 1456 OD2 ASP A 88 -1.614 -18.965 6.070 1.00 23.00 O ATOM 0 H ASP A 88 -3.421 -16.052 3.632 1.00 44.42 H new ATOM 0 HA ASP A 88 -3.978 -17.185 6.231 1.00 70.25 H new ATOM 0 HB2 ASP A 88 -1.523 -15.930 4.954 1.00 61.12 H new ATOM 0 HB3 ASP A 88 -1.547 -16.452 6.627 1.00 61.12 H new ATOM 1461 N GLN A 89 -5.028 -14.980 7.019 1.00 22.43 N ATOM 1462 CA GLN A 89 -5.505 -13.829 7.794 1.00 62.34 C ATOM 1463 C GLN A 89 -4.886 -13.775 9.200 1.00 33.32 C ATOM 1464 O GLN A 89 -4.925 -12.735 9.835 1.00 24.12 O ATOM 1465 CB GLN A 89 -7.049 -13.838 7.856 1.00 23.44 C ATOM 1466 CG GLN A 89 -7.710 -13.531 6.498 1.00 14.00 C ATOM 1467 CD GLN A 89 -7.374 -12.133 5.964 1.00 31.25 C ATOM 1468 OE1 GLN A 89 -7.167 -11.184 6.723 1.00 44.13 O ATOM 1469 NE2 GLN A 89 -7.323 -11.989 4.664 1.00 3.14 N ATOM 0 H GLN A 89 -5.729 -15.712 6.905 1.00 22.43 H new ATOM 0 HA GLN A 89 -5.179 -12.923 7.282 1.00 62.34 H new ATOM 0 HB2 GLN A 89 -7.387 -14.813 8.206 1.00 23.44 H new ATOM 0 HB3 GLN A 89 -7.382 -13.104 8.590 1.00 23.44 H new ATOM 0 HG2 GLN A 89 -7.392 -14.277 5.770 1.00 14.00 H new ATOM 0 HG3 GLN A 89 -8.791 -13.624 6.598 1.00 14.00 H new ATOM 0 HE21 GLN A 89 -7.498 -12.788 4.055 1.00 3.14 H new ATOM 0 HE22 GLN A 89 -7.108 -11.077 4.260 1.00 3.14 H new ATOM 1478 N GLU A 90 -4.304 -14.896 9.671 1.00 64.41 N ATOM 1479 CA GLU A 90 -3.568 -14.930 10.953 1.00 35.01 C ATOM 1480 C GLU A 90 -2.429 -13.896 10.959 1.00 20.33 C ATOM 1481 O GLU A 90 -2.343 -13.053 11.859 1.00 20.23 O ATOM 1482 CB GLU A 90 -2.991 -16.340 11.229 1.00 51.33 C ATOM 1483 CG GLU A 90 -4.049 -17.433 11.417 1.00 12.14 C ATOM 1484 CD GLU A 90 -3.424 -18.791 11.752 1.00 2.31 C ATOM 1485 OE1 GLU A 90 -2.947 -19.478 10.830 1.00 13.20 O ATOM 1486 OE2 GLU A 90 -3.381 -19.173 12.942 1.00 11.25 O ATOM 0 H GLU A 90 -4.329 -15.791 9.183 1.00 64.41 H new ATOM 0 HA GLU A 90 -4.277 -14.682 11.742 1.00 35.01 H new ATOM 0 HB2 GLU A 90 -2.340 -16.621 10.401 1.00 51.33 H new ATOM 0 HB3 GLU A 90 -2.369 -16.296 12.123 1.00 51.33 H new ATOM 0 HG2 GLU A 90 -4.732 -17.142 12.215 1.00 12.14 H new ATOM 0 HG3 GLU A 90 -4.642 -17.522 10.507 1.00 12.14 H new ATOM 1493 N GLU A 91 -1.578 -13.968 9.918 1.00 4.31 N ATOM 1494 CA GLU A 91 -0.422 -13.078 9.768 1.00 54.11 C ATOM 1495 C GLU A 91 -0.857 -11.665 9.322 1.00 50.33 C ATOM 1496 O GLU A 91 -0.278 -10.690 9.776 1.00 3.41 O ATOM 1497 CB GLU A 91 0.632 -13.675 8.794 1.00 62.54 C ATOM 1498 CG GLU A 91 0.158 -13.886 7.347 1.00 54.05 C ATOM 1499 CD GLU A 91 1.257 -14.458 6.439 1.00 13.34 C ATOM 1500 OE1 GLU A 91 2.033 -13.673 5.856 1.00 41.42 O ATOM 1501 OE2 GLU A 91 1.360 -15.699 6.311 1.00 13.34 O ATOM 0 H GLU A 91 -1.676 -14.645 9.161 1.00 4.31 H new ATOM 0 HA GLU A 91 0.049 -12.987 10.747 1.00 54.11 H new ATOM 0 HB2 GLU A 91 1.501 -13.017 8.780 1.00 62.54 H new ATOM 0 HB3 GLU A 91 0.965 -14.634 9.191 1.00 62.54 H new ATOM 0 HG2 GLU A 91 -0.697 -14.562 7.344 1.00 54.05 H new ATOM 0 HG3 GLU A 91 -0.185 -12.935 6.940 1.00 54.05 H new ATOM 1508 N LEU A 92 -1.898 -11.574 8.463 1.00 52.40 N ATOM 1509 CA LEU A 92 -2.428 -10.275 7.959 1.00 64.31 C ATOM 1510 C LEU A 92 -3.009 -9.405 9.099 1.00 32.52 C ATOM 1511 O LEU A 92 -2.739 -8.202 9.173 1.00 75.13 O ATOM 1512 CB LEU A 92 -3.506 -10.508 6.851 1.00 64.24 C ATOM 1513 CG LEU A 92 -2.998 -10.534 5.372 1.00 34.32 C ATOM 1514 CD1 LEU A 92 -1.899 -11.582 5.124 1.00 72.30 C ATOM 1515 CD2 LEU A 92 -4.181 -10.721 4.412 1.00 21.11 C ATOM 0 H LEU A 92 -2.394 -12.388 8.099 1.00 52.40 H new ATOM 0 HA LEU A 92 -1.588 -9.733 7.525 1.00 64.31 H new ATOM 0 HB2 LEU A 92 -4.006 -11.455 7.056 1.00 64.24 H new ATOM 0 HB3 LEU A 92 -4.259 -9.725 6.939 1.00 64.24 H new ATOM 0 HG LEU A 92 -2.530 -9.569 5.177 1.00 34.32 H new ATOM 0 HD11 LEU A 92 -1.592 -11.547 4.079 1.00 72.30 H new ATOM 0 HD12 LEU A 92 -1.041 -11.368 5.762 1.00 72.30 H new ATOM 0 HD13 LEU A 92 -2.284 -12.575 5.356 1.00 72.30 H new ATOM 0 HD21 LEU A 92 -3.817 -10.738 3.385 1.00 21.11 H new ATOM 0 HD22 LEU A 92 -4.684 -11.662 4.634 1.00 21.11 H new ATOM 0 HD23 LEU A 92 -4.883 -9.896 4.535 1.00 21.11 H new ATOM 1527 N GLU A 93 -3.816 -10.035 9.966 1.00 1.23 N ATOM 1528 CA GLU A 93 -4.434 -9.377 11.140 1.00 22.24 C ATOM 1529 C GLU A 93 -3.389 -9.134 12.250 1.00 14.34 C ATOM 1530 O GLU A 93 -3.597 -8.279 13.118 1.00 53.23 O ATOM 1531 CB GLU A 93 -5.650 -10.209 11.636 1.00 55.21 C ATOM 1532 CG GLU A 93 -6.767 -10.357 10.573 1.00 62.22 C ATOM 1533 CD GLU A 93 -7.915 -11.278 11.013 1.00 15.33 C ATOM 1534 OE1 GLU A 93 -9.025 -10.780 11.305 1.00 73.55 O ATOM 1535 OE2 GLU A 93 -7.718 -12.511 11.065 1.00 53.53 O ATOM 0 H GLU A 93 -4.063 -11.021 9.877 1.00 1.23 H new ATOM 0 HA GLU A 93 -4.807 -8.395 10.847 1.00 22.24 H new ATOM 0 HB2 GLU A 93 -5.306 -11.200 11.932 1.00 55.21 H new ATOM 0 HB3 GLU A 93 -6.066 -9.737 12.526 1.00 55.21 H new ATOM 0 HG2 GLU A 93 -7.171 -9.371 10.343 1.00 62.22 H new ATOM 0 HG3 GLU A 93 -6.332 -10.746 9.653 1.00 62.22 H new ATOM 1542 N ARG A 94 -2.274 -9.897 12.208 1.00 13.12 N ATOM 1543 CA ARG A 94 -1.108 -9.673 13.085 1.00 52.22 C ATOM 1544 C ARG A 94 -0.356 -8.383 12.673 1.00 14.33 C ATOM 1545 O ARG A 94 0.067 -7.602 13.539 1.00 55.31 O ATOM 1546 CB ARG A 94 -0.161 -10.909 13.056 1.00 1.52 C ATOM 1547 CG ARG A 94 1.121 -10.766 13.904 1.00 53.22 C ATOM 1548 CD ARG A 94 0.840 -10.578 15.410 1.00 32.41 C ATOM 1549 NE ARG A 94 2.045 -10.137 16.131 1.00 13.40 N ATOM 1550 CZ ARG A 94 2.246 -10.240 17.454 1.00 1.53 C ATOM 1551 NH1 ARG A 94 1.331 -10.783 18.256 1.00 23.12 N ATOM 1552 NH2 ARG A 94 3.375 -9.781 17.968 1.00 3.55 N ATOM 0 H ARG A 94 -2.159 -10.682 11.567 1.00 13.12 H new ATOM 0 HA ARG A 94 -1.461 -9.542 14.108 1.00 52.22 H new ATOM 0 HB2 ARG A 94 -0.715 -11.781 13.405 1.00 1.52 H new ATOM 0 HB3 ARG A 94 0.125 -11.105 12.023 1.00 1.52 H new ATOM 0 HG2 ARG A 94 1.741 -11.652 13.765 1.00 53.22 H new ATOM 0 HG3 ARG A 94 1.696 -9.915 13.540 1.00 53.22 H new ATOM 0 HD2 ARG A 94 0.045 -9.844 15.544 1.00 32.41 H new ATOM 0 HD3 ARG A 94 0.483 -11.516 15.835 1.00 32.41 H new ATOM 0 HE ARG A 94 2.792 -9.717 15.577 1.00 13.40 H new ATOM 0 HH11 ARG A 94 0.455 -11.132 17.867 1.00 23.12 H new ATOM 0 HH12 ARG A 94 1.507 -10.850 19.258 1.00 23.12 H new ATOM 0 HH21 ARG A 94 4.076 -9.357 17.361 1.00 3.55 H new ATOM 0 HH22 ARG A 94 3.544 -9.851 18.971 1.00 3.55 H new ATOM 1566 N ILE A 95 -0.198 -8.170 11.337 1.00 3.03 N ATOM 1567 CA ILE A 95 0.362 -6.913 10.789 1.00 45.13 C ATOM 1568 C ILE A 95 -0.568 -5.746 11.177 1.00 63.20 C ATOM 1569 O ILE A 95 -0.123 -4.705 11.663 1.00 30.44 O ATOM 1570 CB ILE A 95 0.490 -6.924 9.215 1.00 61.04 C ATOM 1571 CG1 ILE A 95 1.213 -8.190 8.661 1.00 1.20 C ATOM 1572 CG2 ILE A 95 1.186 -5.638 8.707 1.00 70.31 C ATOM 1573 CD1 ILE A 95 2.658 -8.344 9.045 1.00 3.41 C ATOM 0 H ILE A 95 -0.452 -8.855 10.625 1.00 3.03 H new ATOM 0 HA ILE A 95 1.363 -6.803 11.206 1.00 45.13 H new ATOM 0 HB ILE A 95 -0.530 -6.956 8.831 1.00 61.04 H new ATOM 0 HG12 ILE A 95 0.671 -9.072 9.002 1.00 1.20 H new ATOM 0 HG13 ILE A 95 1.146 -8.175 7.573 1.00 1.20 H new ATOM 0 HG21 ILE A 95 1.262 -5.670 7.620 1.00 70.31 H new ATOM 0 HG22 ILE A 95 0.602 -4.767 9.004 1.00 70.31 H new ATOM 0 HG23 ILE A 95 2.185 -5.570 9.138 1.00 70.31 H new ATOM 0 HD11 ILE A 95 3.056 -9.258 8.604 1.00 3.41 H new ATOM 0 HD12 ILE A 95 3.225 -7.488 8.680 1.00 3.41 H new ATOM 0 HD13 ILE A 95 2.742 -8.398 10.130 1.00 3.41 H new ATOM 1585 N TYR A 96 -1.881 -5.982 10.949 1.00 14.12 N ATOM 1586 CA TYR A 96 -2.968 -5.039 11.256 1.00 20.30 C ATOM 1587 C TYR A 96 -2.908 -4.589 12.729 1.00 3.54 C ATOM 1588 O TYR A 96 -3.126 -3.419 13.008 1.00 73.24 O ATOM 1589 CB TYR A 96 -4.339 -5.725 10.929 1.00 42.02 C ATOM 1590 CG TYR A 96 -5.628 -4.924 11.241 1.00 0.44 C ATOM 1591 CD1 TYR A 96 -6.358 -4.293 10.230 1.00 13.31 C ATOM 1592 CD2 TYR A 96 -6.120 -4.813 12.549 1.00 4.24 C ATOM 1593 CE1 TYR A 96 -7.506 -3.570 10.515 1.00 35.34 C ATOM 1594 CE2 TYR A 96 -7.267 -4.095 12.834 1.00 51.45 C ATOM 1595 CZ TYR A 96 -7.957 -3.476 11.816 1.00 74.43 C ATOM 1596 OH TYR A 96 -9.086 -2.730 12.106 1.00 75.53 O ATOM 0 H TYR A 96 -2.215 -6.853 10.538 1.00 14.12 H new ATOM 0 HA TYR A 96 -2.858 -4.144 10.643 1.00 20.30 H new ATOM 0 HB2 TYR A 96 -4.346 -5.975 9.868 1.00 42.02 H new ATOM 0 HB3 TYR A 96 -4.385 -6.665 11.479 1.00 42.02 H new ATOM 0 HD1 TYR A 96 -6.021 -4.370 9.207 1.00 13.31 H new ATOM 0 HD2 TYR A 96 -5.590 -5.300 13.354 1.00 4.24 H new ATOM 0 HE1 TYR A 96 -8.047 -3.080 9.719 1.00 35.34 H new ATOM 0 HE2 TYR A 96 -7.620 -4.020 13.852 1.00 51.45 H new ATOM 0 HH TYR A 96 -9.390 -2.937 13.014 1.00 75.53 H new ATOM 1606 N GLU A 97 -2.614 -5.538 13.645 1.00 1.11 N ATOM 1607 CA GLU A 97 -2.528 -5.278 15.100 1.00 55.25 C ATOM 1608 C GLU A 97 -1.421 -4.257 15.418 1.00 40.11 C ATOM 1609 O GLU A 97 -1.663 -3.254 16.105 1.00 11.32 O ATOM 1610 CB GLU A 97 -2.259 -6.599 15.867 1.00 0.21 C ATOM 1611 CG GLU A 97 -2.165 -6.439 17.394 1.00 64.42 C ATOM 1612 CD GLU A 97 -1.865 -7.754 18.113 1.00 13.15 C ATOM 1613 OE1 GLU A 97 -2.803 -8.388 18.640 1.00 21.53 O ATOM 1614 OE2 GLU A 97 -0.686 -8.173 18.150 1.00 42.40 O ATOM 0 H GLU A 97 -2.429 -6.510 13.395 1.00 1.11 H new ATOM 0 HA GLU A 97 -3.483 -4.862 15.422 1.00 55.25 H new ATOM 0 HB2 GLU A 97 -3.055 -7.307 15.636 1.00 0.21 H new ATOM 0 HB3 GLU A 97 -1.329 -7.034 15.501 1.00 0.21 H new ATOM 0 HG2 GLU A 97 -1.385 -5.715 17.631 1.00 64.42 H new ATOM 0 HG3 GLU A 97 -3.103 -6.031 17.770 1.00 64.42 H new ATOM 1621 N GLN A 98 -0.211 -4.532 14.895 1.00 70.43 N ATOM 1622 CA GLN A 98 0.971 -3.680 15.107 1.00 33.15 C ATOM 1623 C GLN A 98 0.741 -2.272 14.525 1.00 34.05 C ATOM 1624 O GLN A 98 0.996 -1.269 15.189 1.00 45.34 O ATOM 1625 CB GLN A 98 2.242 -4.338 14.493 1.00 31.30 C ATOM 1626 CG GLN A 98 3.524 -3.475 14.609 1.00 54.33 C ATOM 1627 CD GLN A 98 3.891 -3.082 16.050 1.00 21.32 C ATOM 1628 OE1 GLN A 98 3.674 -3.832 17.000 1.00 4.25 O ATOM 1629 NE2 GLN A 98 4.395 -1.878 16.228 1.00 71.32 N ATOM 0 H GLN A 98 -0.027 -5.350 14.315 1.00 70.43 H new ATOM 0 HA GLN A 98 1.130 -3.578 16.180 1.00 33.15 H new ATOM 0 HB2 GLN A 98 2.416 -5.295 14.985 1.00 31.30 H new ATOM 0 HB3 GLN A 98 2.055 -4.551 13.440 1.00 31.30 H new ATOM 0 HG2 GLN A 98 4.358 -4.023 14.170 1.00 54.33 H new ATOM 0 HG3 GLN A 98 3.392 -2.568 14.019 1.00 54.33 H new ATOM 0 HE21 GLN A 98 4.567 -1.273 15.425 1.00 71.32 H new ATOM 0 HE22 GLN A 98 4.614 -1.551 17.169 1.00 71.32 H new ATOM 1638 N LEU A 99 0.204 -2.220 13.303 1.00 25.15 N ATOM 1639 CA LEU A 99 -0.007 -0.965 12.564 1.00 74.51 C ATOM 1640 C LEU A 99 -1.221 -0.178 13.115 1.00 4.44 C ATOM 1641 O LEU A 99 -1.264 1.047 12.998 1.00 31.21 O ATOM 1642 CB LEU A 99 -0.151 -1.261 11.046 1.00 53.43 C ATOM 1643 CG LEU A 99 1.182 -1.409 10.225 1.00 23.43 C ATOM 1644 CD1 LEU A 99 2.122 -2.500 10.775 1.00 41.33 C ATOM 1645 CD2 LEU A 99 0.880 -1.646 8.731 1.00 5.05 C ATOM 0 H LEU A 99 -0.099 -3.050 12.793 1.00 25.15 H new ATOM 0 HA LEU A 99 0.866 -0.328 12.706 1.00 74.51 H new ATOM 0 HB2 LEU A 99 -0.725 -2.181 10.932 1.00 53.43 H new ATOM 0 HB3 LEU A 99 -0.739 -0.460 10.598 1.00 53.43 H new ATOM 0 HG LEU A 99 1.716 -0.465 10.335 1.00 23.43 H new ATOM 0 HD11 LEU A 99 3.022 -2.548 10.162 1.00 41.33 H new ATOM 0 HD12 LEU A 99 2.396 -2.260 11.802 1.00 41.33 H new ATOM 0 HD13 LEU A 99 1.614 -3.464 10.750 1.00 41.33 H new ATOM 0 HD21 LEU A 99 1.816 -1.745 8.182 1.00 5.05 H new ATOM 0 HD22 LEU A 99 0.295 -2.559 8.618 1.00 5.05 H new ATOM 0 HD23 LEU A 99 0.315 -0.802 8.336 1.00 5.05 H new ATOM 1657 N LYS A 100 -2.186 -0.890 13.735 1.00 31.31 N ATOM 1658 CA LYS A 100 -3.329 -0.256 14.442 1.00 24.31 C ATOM 1659 C LYS A 100 -2.791 0.499 15.676 1.00 12.30 C ATOM 1660 O LYS A 100 -3.291 1.568 16.030 1.00 31.41 O ATOM 1661 CB LYS A 100 -4.409 -1.321 14.885 1.00 15.43 C ATOM 1662 CG LYS A 100 -5.830 -1.122 14.307 1.00 43.50 C ATOM 1663 CD LYS A 100 -6.410 0.280 14.597 1.00 5.30 C ATOM 1664 CE LYS A 100 -7.913 0.379 14.271 1.00 32.30 C ATOM 1665 NZ LYS A 100 -8.242 -0.122 12.912 1.00 50.34 N ATOM 0 H LYS A 100 -2.199 -1.910 13.762 1.00 31.31 H new ATOM 0 HA LYS A 100 -3.821 0.436 13.758 1.00 24.31 H new ATOM 0 HB2 LYS A 100 -4.055 -2.311 14.596 1.00 15.43 H new ATOM 0 HB3 LYS A 100 -4.476 -1.312 15.973 1.00 15.43 H new ATOM 0 HG2 LYS A 100 -5.803 -1.282 13.229 1.00 43.50 H new ATOM 0 HG3 LYS A 100 -6.495 -1.878 14.725 1.00 43.50 H new ATOM 0 HD2 LYS A 100 -6.253 0.524 15.648 1.00 5.30 H new ATOM 0 HD3 LYS A 100 -5.866 1.022 14.013 1.00 5.30 H new ATOM 0 HE2 LYS A 100 -8.478 -0.189 15.009 1.00 32.30 H new ATOM 0 HE3 LYS A 100 -8.231 1.418 14.357 1.00 32.30 H new ATOM 0 HZ1 LYS A 100 -9.037 0.425 12.523 1.00 50.34 H new ATOM 0 HZ2 LYS A 100 -7.413 -0.016 12.293 1.00 50.34 H new ATOM 0 HZ3 LYS A 100 -8.507 -1.126 12.967 1.00 50.34 H new ATOM 1679 N LYS A 101 -1.764 -0.102 16.307 1.00 51.14 N ATOM 1680 CA LYS A 101 -1.060 0.470 17.465 1.00 43.21 C ATOM 1681 C LYS A 101 -0.293 1.749 17.048 1.00 72.12 C ATOM 1682 O LYS A 101 -0.281 2.741 17.783 1.00 60.13 O ATOM 1683 CB LYS A 101 -0.091 -0.600 18.052 1.00 12.43 C ATOM 1684 CG LYS A 101 0.576 -0.234 19.400 1.00 44.15 C ATOM 1685 CD LYS A 101 1.738 -1.187 19.810 1.00 54.11 C ATOM 1686 CE LYS A 101 1.354 -2.685 19.945 1.00 63.12 C ATOM 1687 NZ LYS A 101 1.268 -3.399 18.635 1.00 74.44 N ATOM 0 H LYS A 101 -1.397 -1.010 16.021 1.00 51.14 H new ATOM 0 HA LYS A 101 -1.781 0.752 18.233 1.00 43.21 H new ATOM 0 HB2 LYS A 101 -0.643 -1.531 18.182 1.00 12.43 H new ATOM 0 HB3 LYS A 101 0.693 -0.794 17.320 1.00 12.43 H new ATOM 0 HG2 LYS A 101 0.959 0.785 19.340 1.00 44.15 H new ATOM 0 HG3 LYS A 101 -0.182 -0.244 20.183 1.00 44.15 H new ATOM 0 HD2 LYS A 101 2.535 -1.099 19.072 1.00 54.11 H new ATOM 0 HD3 LYS A 101 2.146 -0.847 20.762 1.00 54.11 H new ATOM 0 HE2 LYS A 101 2.090 -3.185 20.575 1.00 63.12 H new ATOM 0 HE3 LYS A 101 0.394 -2.761 20.455 1.00 63.12 H new ATOM 0 HZ1 LYS A 101 1.194 -4.423 18.802 1.00 74.44 H new ATOM 0 HZ2 LYS A 101 0.429 -3.071 18.115 1.00 74.44 H new ATOM 0 HZ3 LYS A 101 2.122 -3.201 18.075 1.00 74.44 H new ATOM 1701 N ASP A 102 0.311 1.709 15.838 1.00 51.20 N ATOM 1702 CA ASP A 102 1.033 2.860 15.236 1.00 44.30 C ATOM 1703 C ASP A 102 0.069 3.941 14.695 1.00 71.22 C ATOM 1704 O ASP A 102 0.532 4.995 14.240 1.00 10.22 O ATOM 1705 CB ASP A 102 1.978 2.375 14.095 1.00 55.12 C ATOM 1706 CG ASP A 102 3.203 1.600 14.605 1.00 1.12 C ATOM 1707 OD1 ASP A 102 3.250 0.360 14.476 1.00 30.30 O ATOM 1708 OD2 ASP A 102 4.126 2.238 15.155 1.00 55.53 O ATOM 0 H ASP A 102 0.313 0.877 15.248 1.00 51.20 H new ATOM 0 HA ASP A 102 1.624 3.314 16.031 1.00 44.30 H new ATOM 0 HB2 ASP A 102 1.414 1.740 13.412 1.00 55.12 H new ATOM 0 HB3 ASP A 102 2.316 3.238 13.522 1.00 55.12 H new ATOM 1713 N GLY A 103 -1.257 3.661 14.722 1.00 40.43 N ATOM 1714 CA GLY A 103 -2.284 4.632 14.301 1.00 42.02 C ATOM 1715 C GLY A 103 -2.401 4.770 12.788 1.00 3.14 C ATOM 1716 O GLY A 103 -2.863 5.797 12.277 1.00 11.51 O ATOM 0 H GLY A 103 -1.636 2.767 15.033 1.00 40.43 H new ATOM 0 HA2 GLY A 103 -3.249 4.328 14.707 1.00 42.02 H new ATOM 0 HA3 GLY A 103 -2.050 5.606 14.730 1.00 42.02 H new ATOM 1720 N VAL A 104 -1.964 3.723 12.089 1.00 50.24 N ATOM 1721 CA VAL A 104 -1.941 3.642 10.622 1.00 50.04 C ATOM 1722 C VAL A 104 -3.256 3.033 10.105 1.00 30.13 C ATOM 1723 O VAL A 104 -3.832 2.159 10.770 1.00 2.54 O ATOM 1724 CB VAL A 104 -0.714 2.770 10.160 1.00 21.24 C ATOM 1725 CG1 VAL A 104 -0.626 2.640 8.622 1.00 75.22 C ATOM 1726 CG2 VAL A 104 0.596 3.337 10.750 1.00 74.14 C ATOM 0 H VAL A 104 -1.605 2.881 12.538 1.00 50.24 H new ATOM 0 HA VAL A 104 -1.839 4.645 10.208 1.00 50.04 H new ATOM 0 HB VAL A 104 -0.866 1.762 10.545 1.00 21.24 H new ATOM 0 HG11 VAL A 104 0.237 2.029 8.357 1.00 75.22 H new ATOM 0 HG12 VAL A 104 -1.533 2.169 8.244 1.00 75.22 H new ATOM 0 HG13 VAL A 104 -0.520 3.630 8.179 1.00 75.22 H new ATOM 0 HG21 VAL A 104 1.437 2.725 10.423 1.00 74.14 H new ATOM 0 HG22 VAL A 104 0.737 4.361 10.405 1.00 74.14 H new ATOM 0 HG23 VAL A 104 0.540 3.325 11.838 1.00 74.14 H new ATOM 1736 N ASP A 105 -3.724 3.506 8.925 1.00 45.13 N ATOM 1737 CA ASP A 105 -4.899 2.937 8.257 1.00 14.45 C ATOM 1738 C ASP A 105 -4.532 1.535 7.754 1.00 63.21 C ATOM 1739 O ASP A 105 -3.602 1.385 6.968 1.00 75.43 O ATOM 1740 CB ASP A 105 -5.359 3.819 7.065 1.00 20.11 C ATOM 1741 CG ASP A 105 -6.678 3.329 6.411 1.00 42.32 C ATOM 1742 OD1 ASP A 105 -6.635 2.478 5.492 1.00 42.12 O ATOM 1743 OD2 ASP A 105 -7.766 3.789 6.823 1.00 32.20 O ATOM 0 H ASP A 105 -3.297 4.284 8.422 1.00 45.13 H new ATOM 0 HA ASP A 105 -5.725 2.890 8.967 1.00 14.45 H new ATOM 0 HB2 ASP A 105 -5.492 4.844 7.411 1.00 20.11 H new ATOM 0 HB3 ASP A 105 -4.572 3.837 6.311 1.00 20.11 H new ATOM 1748 N VAL A 106 -5.228 0.525 8.269 1.00 64.53 N ATOM 1749 CA VAL A 106 -5.032 -0.878 7.888 1.00 13.45 C ATOM 1750 C VAL A 106 -6.379 -1.541 7.637 1.00 25.14 C ATOM 1751 O VAL A 106 -7.373 -1.237 8.309 1.00 41.45 O ATOM 1752 CB VAL A 106 -4.193 -1.693 8.958 1.00 52.15 C ATOM 1753 CG1 VAL A 106 -2.688 -1.550 8.699 1.00 74.41 C ATOM 1754 CG2 VAL A 106 -4.540 -1.267 10.409 1.00 64.41 C ATOM 0 H VAL A 106 -5.955 0.656 8.973 1.00 64.53 H new ATOM 0 HA VAL A 106 -4.447 -0.886 6.968 1.00 13.45 H new ATOM 0 HB VAL A 106 -4.465 -2.743 8.849 1.00 52.15 H new ATOM 0 HG11 VAL A 106 -2.135 -2.118 9.447 1.00 74.41 H new ATOM 0 HG12 VAL A 106 -2.452 -1.931 7.705 1.00 74.41 H new ATOM 0 HG13 VAL A 106 -2.406 -0.499 8.761 1.00 74.41 H new ATOM 0 HG21 VAL A 106 -3.944 -1.849 11.112 1.00 64.41 H new ATOM 0 HG22 VAL A 106 -4.322 -0.207 10.539 1.00 64.41 H new ATOM 0 HG23 VAL A 106 -5.599 -1.445 10.597 1.00 64.41 H new ATOM 1764 N ARG A 107 -6.386 -2.428 6.639 1.00 13.11 N ATOM 1765 CA ARG A 107 -7.573 -3.145 6.184 1.00 12.22 C ATOM 1766 C ARG A 107 -7.140 -4.456 5.502 1.00 34.41 C ATOM 1767 O ARG A 107 -6.228 -4.461 4.664 1.00 53.12 O ATOM 1768 CB ARG A 107 -8.398 -2.226 5.237 1.00 64.32 C ATOM 1769 CG ARG A 107 -7.648 -1.719 3.981 1.00 74.41 C ATOM 1770 CD ARG A 107 -8.453 -0.675 3.182 1.00 61.21 C ATOM 1771 NE ARG A 107 -8.598 0.592 3.914 1.00 23.34 N ATOM 1772 CZ ARG A 107 -9.512 1.533 3.645 1.00 41.23 C ATOM 1773 NH1 ARG A 107 -10.386 1.374 2.646 1.00 24.11 N ATOM 1774 NH2 ARG A 107 -9.519 2.658 4.357 1.00 51.21 N ATOM 0 H ARG A 107 -5.546 -2.671 6.115 1.00 13.11 H new ATOM 0 HA ARG A 107 -8.215 -3.407 7.025 1.00 12.22 H new ATOM 0 HB2 ARG A 107 -9.286 -2.770 4.914 1.00 64.32 H new ATOM 0 HB3 ARG A 107 -8.743 -1.363 5.806 1.00 64.32 H new ATOM 0 HG2 ARG A 107 -6.696 -1.282 4.284 1.00 74.41 H new ATOM 0 HG3 ARG A 107 -7.419 -2.566 3.334 1.00 74.41 H new ATOM 0 HD2 ARG A 107 -7.958 -0.488 2.229 1.00 61.21 H new ATOM 0 HD3 ARG A 107 -9.440 -1.076 2.954 1.00 61.21 H new ATOM 0 HE ARG A 107 -7.954 0.767 4.685 1.00 23.34 H new ATOM 0 HH11 ARG A 107 -10.362 0.528 2.077 1.00 24.11 H new ATOM 0 HH12 ARG A 107 -11.077 2.099 2.452 1.00 24.11 H new ATOM 0 HH21 ARG A 107 -8.833 2.796 5.099 1.00 51.21 H new ATOM 0 HH22 ARG A 107 -10.211 3.382 4.161 1.00 51.21 H new ATOM 1788 N VAL A 108 -7.788 -5.571 5.883 1.00 24.25 N ATOM 1789 CA VAL A 108 -7.423 -6.927 5.427 1.00 62.14 C ATOM 1790 C VAL A 108 -8.634 -7.627 4.772 1.00 13.12 C ATOM 1791 O VAL A 108 -9.781 -7.402 5.175 1.00 14.11 O ATOM 1792 CB VAL A 108 -6.859 -7.808 6.618 1.00 21.44 C ATOM 1793 CG1 VAL A 108 -5.540 -7.229 7.173 1.00 45.34 C ATOM 1794 CG2 VAL A 108 -7.895 -7.976 7.756 1.00 24.22 C ATOM 0 H VAL A 108 -8.585 -5.558 6.520 1.00 24.25 H new ATOM 0 HA VAL A 108 -6.633 -6.821 4.683 1.00 62.14 H new ATOM 0 HB VAL A 108 -6.654 -8.796 6.206 1.00 21.44 H new ATOM 0 HG11 VAL A 108 -5.181 -7.857 7.988 1.00 45.34 H new ATOM 0 HG12 VAL A 108 -4.793 -7.201 6.380 1.00 45.34 H new ATOM 0 HG13 VAL A 108 -5.713 -6.219 7.543 1.00 45.34 H new ATOM 0 HG21 VAL A 108 -7.466 -8.586 8.551 1.00 24.22 H new ATOM 0 HG22 VAL A 108 -8.161 -6.997 8.154 1.00 24.22 H new ATOM 0 HG23 VAL A 108 -8.788 -8.464 7.366 1.00 24.22 H new ATOM 1804 N THR A 109 -8.356 -8.439 3.739 1.00 3.42 N ATOM 1805 CA THR A 109 -9.356 -9.280 3.045 1.00 71.03 C ATOM 1806 C THR A 109 -8.621 -10.412 2.308 1.00 2.31 C ATOM 1807 O THR A 109 -7.391 -10.405 2.243 1.00 43.01 O ATOM 1808 CB THR A 109 -10.245 -8.434 2.048 1.00 45.35 C ATOM 1809 OG1 THR A 109 -11.300 -9.236 1.495 1.00 11.35 O ATOM 1810 CG2 THR A 109 -9.429 -7.817 0.896 1.00 71.13 C ATOM 0 H THR A 109 -7.416 -8.534 3.353 1.00 3.42 H new ATOM 0 HA THR A 109 -10.037 -9.703 3.783 1.00 71.03 H new ATOM 0 HB THR A 109 -10.665 -7.619 2.638 1.00 45.35 H new ATOM 0 HG1 THR A 109 -11.838 -8.692 0.883 1.00 11.35 H new ATOM 0 HG21 THR A 109 -10.092 -7.248 0.244 1.00 71.13 H new ATOM 0 HG22 THR A 109 -8.666 -7.155 1.305 1.00 71.13 H new ATOM 0 HG23 THR A 109 -8.951 -8.611 0.323 1.00 71.13 H new ATOM 1818 N ASP A 110 -9.361 -11.405 1.798 1.00 44.54 N ATOM 1819 CA ASP A 110 -8.790 -12.479 0.970 1.00 73.24 C ATOM 1820 C ASP A 110 -9.747 -12.807 -0.184 1.00 60.23 C ATOM 1821 O ASP A 110 -10.640 -13.648 -0.061 1.00 50.51 O ATOM 1822 CB ASP A 110 -8.448 -13.744 1.816 1.00 64.30 C ATOM 1823 CG ASP A 110 -9.607 -14.278 2.682 1.00 12.52 C ATOM 1824 OD1 ASP A 110 -9.864 -13.705 3.753 1.00 31.13 O ATOM 1825 OD2 ASP A 110 -10.262 -15.277 2.304 1.00 45.03 O ATOM 0 H ASP A 110 -10.367 -11.488 1.946 1.00 44.54 H new ATOM 0 HA ASP A 110 -7.847 -12.128 0.550 1.00 73.24 H new ATOM 0 HB2 ASP A 110 -8.122 -14.537 1.142 1.00 64.30 H new ATOM 0 HB3 ASP A 110 -7.605 -13.511 2.466 1.00 64.30 H new ATOM 1830 N ASN A 111 -9.550 -12.062 -1.281 1.00 12.21 N ATOM 1831 CA ASN A 111 -10.195 -12.252 -2.596 1.00 14.33 C ATOM 1832 C ASN A 111 -9.903 -10.992 -3.415 1.00 2.14 C ATOM 1833 O ASN A 111 -9.798 -9.896 -2.843 1.00 74.24 O ATOM 1834 CB ASN A 111 -11.737 -12.506 -2.541 1.00 43.52 C ATOM 1835 CG ASN A 111 -12.556 -11.318 -2.042 1.00 63.53 C ATOM 1836 OD1 ASN A 111 -13.038 -10.526 -2.829 1.00 65.02 O ATOM 1837 ND2 ASN A 111 -12.693 -11.175 -0.732 1.00 50.11 N ATOM 0 H ASN A 111 -8.906 -11.271 -1.279 1.00 12.21 H new ATOM 0 HA ASN A 111 -9.784 -13.157 -3.044 1.00 14.33 H new ATOM 0 HB2 ASN A 111 -12.084 -12.777 -3.538 1.00 43.52 H new ATOM 0 HB3 ASN A 111 -11.929 -13.361 -1.893 1.00 43.52 H new ATOM 0 HD21 ASN A 111 -13.215 -10.383 -0.357 1.00 50.11 H new ATOM 0 HD22 ASN A 111 -12.276 -11.857 -0.098 1.00 50.11 H new ATOM 1844 N GLU A 112 -9.767 -11.154 -4.732 1.00 54.41 N ATOM 1845 CA GLU A 112 -9.455 -10.051 -5.662 1.00 73.55 C ATOM 1846 C GLU A 112 -10.566 -8.974 -5.711 1.00 2.32 C ATOM 1847 O GLU A 112 -10.261 -7.792 -5.807 1.00 61.11 O ATOM 1848 CB GLU A 112 -9.220 -10.620 -7.080 1.00 73.33 C ATOM 1849 CG GLU A 112 -10.404 -11.449 -7.623 1.00 1.31 C ATOM 1850 CD GLU A 112 -10.190 -11.953 -9.047 1.00 32.45 C ATOM 1851 OE1 GLU A 112 -9.268 -12.753 -9.252 1.00 11.14 O ATOM 1852 OE2 GLU A 112 -10.945 -11.564 -9.967 1.00 4.42 O ATOM 0 H GLU A 112 -9.870 -12.058 -5.193 1.00 54.41 H new ATOM 0 HA GLU A 112 -8.553 -9.564 -5.292 1.00 73.55 H new ATOM 0 HB2 GLU A 112 -9.022 -9.795 -7.764 1.00 73.33 H new ATOM 0 HB3 GLU A 112 -8.327 -11.245 -7.067 1.00 73.33 H new ATOM 0 HG2 GLU A 112 -10.572 -12.302 -6.965 1.00 1.31 H new ATOM 0 HG3 GLU A 112 -11.308 -10.840 -7.593 1.00 1.31 H new ATOM 1859 N ASP A 113 -11.839 -9.404 -5.600 1.00 54.03 N ATOM 1860 CA ASP A 113 -13.019 -8.539 -5.840 1.00 75.24 C ATOM 1861 C ASP A 113 -13.069 -7.379 -4.832 1.00 24.22 C ATOM 1862 O ASP A 113 -12.918 -6.214 -5.208 1.00 32.21 O ATOM 1863 CB ASP A 113 -14.327 -9.377 -5.751 1.00 54.13 C ATOM 1864 CG ASP A 113 -14.369 -10.543 -6.747 1.00 2.11 C ATOM 1865 OD1 ASP A 113 -13.866 -11.637 -6.419 1.00 34.02 O ATOM 1866 OD2 ASP A 113 -14.887 -10.366 -7.874 1.00 43.12 O ATOM 0 H ASP A 113 -12.081 -10.360 -5.342 1.00 54.03 H new ATOM 0 HA ASP A 113 -12.931 -8.118 -6.842 1.00 75.24 H new ATOM 0 HB2 ASP A 113 -14.431 -9.769 -4.739 1.00 54.13 H new ATOM 0 HB3 ASP A 113 -15.181 -8.724 -5.930 1.00 54.13 H new ATOM 1871 N GLU A 114 -13.239 -7.741 -3.551 1.00 0.21 N ATOM 1872 CA GLU A 114 -13.270 -6.797 -2.426 1.00 42.04 C ATOM 1873 C GLU A 114 -11.939 -6.053 -2.289 1.00 33.25 C ATOM 1874 O GLU A 114 -11.937 -4.892 -1.902 1.00 24.40 O ATOM 1875 CB GLU A 114 -13.649 -7.527 -1.104 1.00 13.40 C ATOM 1876 CG GLU A 114 -15.167 -7.783 -0.929 1.00 72.23 C ATOM 1877 CD GLU A 114 -15.821 -8.606 -2.059 1.00 1.24 C ATOM 1878 OE1 GLU A 114 -15.811 -9.848 -1.981 1.00 74.24 O ATOM 1879 OE2 GLU A 114 -16.367 -8.010 -3.021 1.00 15.12 O ATOM 0 H GLU A 114 -13.360 -8.712 -3.265 1.00 0.21 H new ATOM 0 HA GLU A 114 -14.040 -6.053 -2.631 1.00 42.04 H new ATOM 0 HB2 GLU A 114 -13.125 -8.482 -1.067 1.00 13.40 H new ATOM 0 HB3 GLU A 114 -13.293 -6.935 -0.261 1.00 13.40 H new ATOM 0 HG2 GLU A 114 -15.327 -8.300 0.017 1.00 72.23 H new ATOM 0 HG3 GLU A 114 -15.677 -6.822 -0.857 1.00 72.23 H new ATOM 1886 N ALA A 115 -10.825 -6.726 -2.641 1.00 13.41 N ATOM 1887 CA ALA A 115 -9.484 -6.111 -2.654 1.00 22.20 C ATOM 1888 C ALA A 115 -9.461 -4.846 -3.532 1.00 1.53 C ATOM 1889 O ALA A 115 -8.994 -3.797 -3.093 1.00 31.12 O ATOM 1890 CB ALA A 115 -8.446 -7.115 -3.161 1.00 1.21 C ATOM 0 H ALA A 115 -10.830 -7.706 -2.923 1.00 13.41 H new ATOM 0 HA ALA A 115 -9.237 -5.823 -1.632 1.00 22.20 H new ATOM 0 HB1 ALA A 115 -7.461 -6.649 -3.166 1.00 1.21 H new ATOM 0 HB2 ALA A 115 -8.432 -7.986 -2.506 1.00 1.21 H new ATOM 0 HB3 ALA A 115 -8.705 -7.426 -4.173 1.00 1.21 H new ATOM 1896 N LYS A 116 -10.017 -4.984 -4.751 1.00 23.14 N ATOM 1897 CA LYS A 116 -10.056 -3.923 -5.779 1.00 41.34 C ATOM 1898 C LYS A 116 -10.988 -2.759 -5.379 1.00 3.21 C ATOM 1899 O LYS A 116 -10.753 -1.607 -5.754 1.00 11.25 O ATOM 1900 CB LYS A 116 -10.518 -4.542 -7.124 1.00 52.13 C ATOM 1901 CG LYS A 116 -9.523 -5.562 -7.736 1.00 24.21 C ATOM 1902 CD LYS A 116 -10.117 -6.327 -8.945 1.00 15.12 C ATOM 1903 CE LYS A 116 -10.464 -5.407 -10.124 1.00 43.11 C ATOM 1904 NZ LYS A 116 -10.975 -6.163 -11.300 1.00 72.41 N ATOM 0 H LYS A 116 -10.460 -5.851 -5.056 1.00 23.14 H new ATOM 0 HA LYS A 116 -9.053 -3.507 -5.879 1.00 41.34 H new ATOM 0 HB2 LYS A 116 -11.478 -5.036 -6.972 1.00 52.13 H new ATOM 0 HB3 LYS A 116 -10.683 -3.739 -7.842 1.00 52.13 H new ATOM 0 HG2 LYS A 116 -8.620 -5.038 -8.051 1.00 24.21 H new ATOM 0 HG3 LYS A 116 -9.225 -6.278 -6.969 1.00 24.21 H new ATOM 0 HD2 LYS A 116 -9.403 -7.081 -9.277 1.00 15.12 H new ATOM 0 HD3 LYS A 116 -11.015 -6.856 -8.627 1.00 15.12 H new ATOM 0 HE2 LYS A 116 -11.214 -4.682 -9.808 1.00 43.11 H new ATOM 0 HE3 LYS A 116 -9.578 -4.843 -10.415 1.00 43.11 H new ATOM 0 HZ1 LYS A 116 -11.115 -5.511 -12.098 1.00 72.41 H new ATOM 0 HZ2 LYS A 116 -10.286 -6.895 -11.568 1.00 72.41 H new ATOM 0 HZ3 LYS A 116 -11.881 -6.612 -11.057 1.00 72.41 H new ATOM 1918 N LYS A 117 -12.036 -3.087 -4.609 1.00 42.14 N ATOM 1919 CA LYS A 117 -13.049 -2.117 -4.156 1.00 14.32 C ATOM 1920 C LYS A 117 -12.493 -1.278 -2.984 1.00 63.40 C ATOM 1921 O LYS A 117 -12.652 -0.055 -2.962 1.00 33.03 O ATOM 1922 CB LYS A 117 -14.340 -2.887 -3.761 1.00 24.45 C ATOM 1923 CG LYS A 117 -14.932 -3.708 -4.935 1.00 75.22 C ATOM 1924 CD LYS A 117 -16.060 -4.681 -4.511 1.00 14.33 C ATOM 1925 CE LYS A 117 -16.552 -5.551 -5.685 1.00 52.24 C ATOM 1926 NZ LYS A 117 -17.594 -6.534 -5.267 1.00 4.33 N ATOM 0 H LYS A 117 -12.207 -4.037 -4.280 1.00 42.14 H new ATOM 0 HA LYS A 117 -13.295 -1.422 -4.959 1.00 14.32 H new ATOM 0 HB2 LYS A 117 -14.118 -3.557 -2.930 1.00 24.45 H new ATOM 0 HB3 LYS A 117 -15.087 -2.177 -3.407 1.00 24.45 H new ATOM 0 HG2 LYS A 117 -15.321 -3.021 -5.687 1.00 75.22 H new ATOM 0 HG3 LYS A 117 -14.132 -4.278 -5.407 1.00 75.22 H new ATOM 0 HD2 LYS A 117 -15.699 -5.326 -3.710 1.00 14.33 H new ATOM 0 HD3 LYS A 117 -16.897 -4.111 -4.108 1.00 14.33 H new ATOM 0 HE2 LYS A 117 -16.956 -4.907 -6.466 1.00 52.24 H new ATOM 0 HE3 LYS A 117 -15.706 -6.085 -6.118 1.00 52.24 H new ATOM 0 HZ1 LYS A 117 -17.819 -7.162 -6.065 1.00 4.33 H new ATOM 0 HZ2 LYS A 117 -17.238 -7.100 -4.471 1.00 4.33 H new ATOM 0 HZ3 LYS A 117 -18.453 -6.026 -4.973 1.00 4.33 H new ATOM 1940 N ARG A 118 -11.792 -1.958 -2.045 1.00 42.34 N ATOM 1941 CA ARG A 118 -11.090 -1.307 -0.911 1.00 73.34 C ATOM 1942 C ARG A 118 -9.910 -0.460 -1.432 1.00 42.21 C ATOM 1943 O ARG A 118 -9.563 0.574 -0.844 1.00 51.44 O ATOM 1944 CB ARG A 118 -10.569 -2.377 0.100 1.00 3.52 C ATOM 1945 CG ARG A 118 -11.661 -3.295 0.695 1.00 1.14 C ATOM 1946 CD ARG A 118 -12.642 -2.573 1.626 1.00 2.34 C ATOM 1947 NE ARG A 118 -12.042 -2.292 2.944 1.00 11.43 N ATOM 1948 CZ ARG A 118 -12.288 -1.214 3.702 1.00 12.10 C ATOM 1949 NH1 ARG A 118 -13.113 -0.254 3.288 1.00 65.22 N ATOM 1950 NH2 ARG A 118 -11.738 -1.130 4.905 1.00 70.32 N ATOM 0 H ARG A 118 -11.697 -2.974 -2.052 1.00 42.34 H new ATOM 0 HA ARG A 118 -11.798 -0.656 -0.397 1.00 73.34 H new ATOM 0 HB2 ARG A 118 -9.826 -2.998 -0.401 1.00 3.52 H new ATOM 0 HB3 ARG A 118 -10.059 -1.866 0.917 1.00 3.52 H new ATOM 0 HG2 ARG A 118 -12.220 -3.753 -0.121 1.00 1.14 H new ATOM 0 HG3 ARG A 118 -11.181 -4.104 1.246 1.00 1.14 H new ATOM 0 HD2 ARG A 118 -12.959 -1.638 1.165 1.00 2.34 H new ATOM 0 HD3 ARG A 118 -13.535 -3.184 1.756 1.00 2.34 H new ATOM 0 HE ARG A 118 -11.382 -2.978 3.311 1.00 11.43 H new ATOM 0 HH11 ARG A 118 -13.570 -0.331 2.380 1.00 65.22 H new ATOM 0 HH12 ARG A 118 -13.287 0.559 3.879 1.00 65.22 H new ATOM 0 HH21 ARG A 118 -11.136 -1.880 5.244 1.00 70.32 H new ATOM 0 HH22 ARG A 118 -11.917 -0.315 5.492 1.00 70.32 H new ATOM 1964 N LEU A 119 -9.303 -0.948 -2.541 1.00 61.22 N ATOM 1965 CA LEU A 119 -8.191 -0.287 -3.254 1.00 32.30 C ATOM 1966 C LEU A 119 -8.690 1.047 -3.834 1.00 12.20 C ATOM 1967 O LEU A 119 -8.070 2.094 -3.628 1.00 22.21 O ATOM 1968 CB LEU A 119 -7.651 -1.250 -4.378 1.00 31.31 C ATOM 1969 CG LEU A 119 -6.172 -1.073 -4.885 1.00 51.23 C ATOM 1970 CD1 LEU A 119 -5.957 0.237 -5.647 1.00 13.23 C ATOM 1971 CD2 LEU A 119 -5.161 -1.216 -3.731 1.00 2.55 C ATOM 0 H LEU A 119 -9.581 -1.830 -2.971 1.00 61.22 H new ATOM 0 HA LEU A 119 -7.368 -0.073 -2.573 1.00 32.30 H new ATOM 0 HB2 LEU A 119 -7.754 -2.272 -4.014 1.00 31.31 H new ATOM 0 HB3 LEU A 119 -8.309 -1.151 -5.241 1.00 31.31 H new ATOM 0 HG LEU A 119 -5.994 -1.880 -5.596 1.00 51.23 H new ATOM 0 HD11 LEU A 119 -4.919 0.303 -5.972 1.00 13.23 H new ATOM 0 HD12 LEU A 119 -6.612 0.263 -6.518 1.00 13.23 H new ATOM 0 HD13 LEU A 119 -6.187 1.079 -4.995 1.00 13.23 H new ATOM 0 HD21 LEU A 119 -4.149 -1.088 -4.116 1.00 2.55 H new ATOM 0 HD22 LEU A 119 -5.361 -0.456 -2.976 1.00 2.55 H new ATOM 0 HD23 LEU A 119 -5.257 -2.205 -3.284 1.00 2.55 H new ATOM 1983 N LYS A 120 -9.853 0.987 -4.511 1.00 34.01 N ATOM 1984 CA LYS A 120 -10.448 2.140 -5.198 1.00 55.54 C ATOM 1985 C LYS A 120 -10.871 3.222 -4.182 1.00 31.14 C ATOM 1986 O LYS A 120 -10.689 4.410 -4.445 1.00 43.13 O ATOM 1987 CB LYS A 120 -11.655 1.685 -6.066 1.00 63.30 C ATOM 1988 CG LYS A 120 -12.193 2.773 -7.030 1.00 62.53 C ATOM 1989 CD LYS A 120 -13.305 2.258 -7.978 1.00 63.12 C ATOM 1990 CE LYS A 120 -14.600 1.860 -7.247 1.00 75.11 C ATOM 1991 NZ LYS A 120 -15.251 3.019 -6.577 1.00 72.10 N ATOM 0 H LYS A 120 -10.405 0.133 -4.595 1.00 34.01 H new ATOM 0 HA LYS A 120 -9.699 2.578 -5.858 1.00 55.54 H new ATOM 0 HB2 LYS A 120 -11.360 0.813 -6.649 1.00 63.30 H new ATOM 0 HB3 LYS A 120 -12.463 1.369 -5.407 1.00 63.30 H new ATOM 0 HG2 LYS A 120 -12.582 3.607 -6.445 1.00 62.53 H new ATOM 0 HG3 LYS A 120 -11.367 3.160 -7.627 1.00 62.53 H new ATOM 0 HD2 LYS A 120 -13.534 3.032 -8.711 1.00 63.12 H new ATOM 0 HD3 LYS A 120 -12.930 1.397 -8.531 1.00 63.12 H new ATOM 0 HE2 LYS A 120 -15.296 1.418 -7.960 1.00 75.11 H new ATOM 0 HE3 LYS A 120 -14.375 1.094 -6.505 1.00 75.11 H new ATOM 0 HZ1 LYS A 120 -15.314 2.838 -5.555 1.00 72.10 H new ATOM 0 HZ2 LYS A 120 -14.687 3.877 -6.743 1.00 72.10 H new ATOM 0 HZ3 LYS A 120 -16.207 3.152 -6.965 1.00 72.10 H new ATOM 2005 N GLU A 121 -11.378 2.769 -2.999 1.00 25.34 N ATOM 2006 CA GLU A 121 -11.764 3.655 -1.869 1.00 0.20 C ATOM 2007 C GLU A 121 -10.627 4.614 -1.474 1.00 41.54 C ATOM 2008 O GLU A 121 -10.882 5.767 -1.115 1.00 11.20 O ATOM 2009 CB GLU A 121 -12.196 2.829 -0.622 1.00 70.41 C ATOM 2010 CG GLU A 121 -13.565 2.133 -0.755 1.00 60.33 C ATOM 2011 CD GLU A 121 -13.957 1.307 0.478 1.00 44.21 C ATOM 2012 OE1 GLU A 121 -14.113 1.889 1.564 1.00 31.13 O ATOM 2013 OE2 GLU A 121 -14.123 0.076 0.372 1.00 13.21 O ATOM 0 H GLU A 121 -11.529 1.779 -2.806 1.00 25.34 H new ATOM 0 HA GLU A 121 -12.611 4.246 -2.219 1.00 0.20 H new ATOM 0 HB2 GLU A 121 -11.437 2.073 -0.423 1.00 70.41 H new ATOM 0 HB3 GLU A 121 -12.222 3.490 0.244 1.00 70.41 H new ATOM 0 HG2 GLU A 121 -14.331 2.888 -0.935 1.00 60.33 H new ATOM 0 HG3 GLU A 121 -13.548 1.481 -1.628 1.00 60.33 H new ATOM 2020 N LEU A 122 -9.382 4.117 -1.551 1.00 21.44 N ATOM 2021 CA LEU A 122 -8.189 4.901 -1.216 1.00 32.25 C ATOM 2022 C LEU A 122 -7.974 5.989 -2.264 1.00 62.32 C ATOM 2023 O LEU A 122 -7.908 7.160 -1.922 1.00 23.14 O ATOM 2024 CB LEU A 122 -6.943 3.991 -1.121 1.00 25.32 C ATOM 2025 CG LEU A 122 -7.058 2.800 -0.129 1.00 33.13 C ATOM 2026 CD1 LEU A 122 -5.722 2.063 -0.034 1.00 54.22 C ATOM 2027 CD2 LEU A 122 -7.566 3.247 1.258 1.00 24.43 C ATOM 0 H LEU A 122 -9.178 3.162 -1.847 1.00 21.44 H new ATOM 0 HA LEU A 122 -8.341 5.369 -0.243 1.00 32.25 H new ATOM 0 HB2 LEU A 122 -6.727 3.595 -2.113 1.00 25.32 H new ATOM 0 HB3 LEU A 122 -6.089 4.603 -0.830 1.00 25.32 H new ATOM 0 HG LEU A 122 -7.804 2.108 -0.518 1.00 33.13 H new ATOM 0 HD11 LEU A 122 -5.814 1.231 0.664 1.00 54.22 H new ATOM 0 HD12 LEU A 122 -5.445 1.683 -1.017 1.00 54.22 H new ATOM 0 HD13 LEU A 122 -4.952 2.749 0.320 1.00 54.22 H new ATOM 0 HD21 LEU A 122 -7.631 2.382 1.918 1.00 24.43 H new ATOM 0 HD22 LEU A 122 -6.875 3.976 1.681 1.00 24.43 H new ATOM 0 HD23 LEU A 122 -8.552 3.700 1.156 1.00 24.43 H new ATOM 2039 N LEU A 123 -7.936 5.574 -3.550 1.00 70.21 N ATOM 2040 CA LEU A 123 -7.653 6.472 -4.694 1.00 35.32 C ATOM 2041 C LEU A 123 -8.660 7.644 -4.779 1.00 64.53 C ATOM 2042 O LEU A 123 -8.291 8.743 -5.184 1.00 62.12 O ATOM 2043 CB LEU A 123 -7.616 5.675 -6.037 1.00 64.01 C ATOM 2044 CG LEU A 123 -6.279 4.914 -6.361 1.00 64.01 C ATOM 2045 CD1 LEU A 123 -5.085 5.890 -6.474 1.00 63.13 C ATOM 2046 CD2 LEU A 123 -5.987 3.791 -5.344 1.00 23.00 C ATOM 0 H LEU A 123 -8.101 4.606 -3.825 1.00 70.21 H new ATOM 0 HA LEU A 123 -6.667 6.905 -4.522 1.00 35.32 H new ATOM 0 HB2 LEU A 123 -8.429 4.949 -6.026 1.00 64.01 H new ATOM 0 HB3 LEU A 123 -7.820 6.369 -6.852 1.00 64.01 H new ATOM 0 HG LEU A 123 -6.415 4.439 -7.333 1.00 64.01 H new ATOM 0 HD11 LEU A 123 -4.177 5.330 -6.699 1.00 63.13 H new ATOM 0 HD12 LEU A 123 -5.276 6.607 -7.272 1.00 63.13 H new ATOM 0 HD13 LEU A 123 -4.959 6.422 -5.531 1.00 63.13 H new ATOM 0 HD21 LEU A 123 -5.054 3.294 -5.609 1.00 23.00 H new ATOM 0 HD22 LEU A 123 -5.900 4.218 -4.345 1.00 23.00 H new ATOM 0 HD23 LEU A 123 -6.801 3.066 -5.359 1.00 23.00 H new ATOM 2058 N GLU A 124 -9.909 7.386 -4.361 1.00 63.15 N ATOM 2059 CA GLU A 124 -10.974 8.408 -4.279 1.00 73.21 C ATOM 2060 C GLU A 124 -10.633 9.468 -3.202 1.00 72.31 C ATOM 2061 O GLU A 124 -10.790 10.671 -3.430 1.00 33.42 O ATOM 2062 CB GLU A 124 -12.333 7.707 -3.988 1.00 11.21 C ATOM 2063 CG GLU A 124 -12.762 6.704 -5.091 1.00 4.54 C ATOM 2064 CD GLU A 124 -14.009 5.868 -4.745 1.00 50.25 C ATOM 2065 OE1 GLU A 124 -14.047 5.283 -3.648 1.00 41.52 O ATOM 2066 OE2 GLU A 124 -14.939 5.759 -5.580 1.00 74.44 O ATOM 0 H GLU A 124 -10.214 6.458 -4.068 1.00 63.15 H new ATOM 0 HA GLU A 124 -11.052 8.934 -5.230 1.00 73.21 H new ATOM 0 HB2 GLU A 124 -12.264 7.180 -3.036 1.00 11.21 H new ATOM 0 HB3 GLU A 124 -13.108 8.466 -3.877 1.00 11.21 H new ATOM 0 HG2 GLU A 124 -12.954 7.256 -6.011 1.00 4.54 H new ATOM 0 HG3 GLU A 124 -11.931 6.028 -5.292 1.00 4.54 H new ATOM 2073 N LYS A 125 -10.121 8.990 -2.048 1.00 45.31 N ATOM 2074 CA LYS A 125 -9.645 9.849 -0.926 1.00 12.44 C ATOM 2075 C LYS A 125 -8.307 10.539 -1.259 1.00 61.21 C ATOM 2076 O LYS A 125 -7.972 11.560 -0.665 1.00 73.12 O ATOM 2077 CB LYS A 125 -9.458 8.996 0.356 1.00 44.23 C ATOM 2078 CG LYS A 125 -10.737 8.301 0.859 1.00 25.24 C ATOM 2079 CD LYS A 125 -10.450 7.298 2.000 1.00 5.42 C ATOM 2080 CE LYS A 125 -11.719 6.581 2.476 1.00 23.34 C ATOM 2081 NZ LYS A 125 -12.422 5.905 1.354 1.00 1.43 N ATOM 0 H LYS A 125 -10.023 7.992 -1.861 1.00 45.31 H new ATOM 0 HA LYS A 125 -10.402 10.617 -0.765 1.00 12.44 H new ATOM 0 HB2 LYS A 125 -8.700 8.237 0.163 1.00 44.23 H new ATOM 0 HB3 LYS A 125 -9.073 9.637 1.149 1.00 44.23 H new ATOM 0 HG2 LYS A 125 -11.443 9.054 1.209 1.00 25.24 H new ATOM 0 HG3 LYS A 125 -11.214 7.778 0.030 1.00 25.24 H new ATOM 0 HD2 LYS A 125 -9.725 6.560 1.658 1.00 5.42 H new ATOM 0 HD3 LYS A 125 -9.997 7.825 2.839 1.00 5.42 H new ATOM 0 HE2 LYS A 125 -11.458 5.846 3.237 1.00 23.34 H new ATOM 0 HE3 LYS A 125 -12.390 7.301 2.945 1.00 23.34 H new ATOM 0 HZ1 LYS A 125 -12.779 4.982 1.674 1.00 1.43 H new ATOM 0 HZ2 LYS A 125 -13.219 6.494 1.039 1.00 1.43 H new ATOM 0 HZ3 LYS A 125 -11.761 5.766 0.564 1.00 1.43 H new ATOM 2095 N VAL A 126 -7.534 9.935 -2.173 1.00 55.14 N ATOM 2096 CA VAL A 126 -6.234 10.469 -2.607 1.00 35.03 C ATOM 2097 C VAL A 126 -6.449 11.652 -3.578 1.00 70.13 C ATOM 2098 O VAL A 126 -5.703 12.637 -3.542 1.00 3.41 O ATOM 2099 CB VAL A 126 -5.355 9.336 -3.274 1.00 71.15 C ATOM 2100 CG1 VAL A 126 -4.077 9.897 -3.912 1.00 51.55 C ATOM 2101 CG2 VAL A 126 -4.996 8.229 -2.251 1.00 54.23 C ATOM 0 H VAL A 126 -7.792 9.062 -2.633 1.00 55.14 H new ATOM 0 HA VAL A 126 -5.693 10.832 -1.733 1.00 35.03 H new ATOM 0 HB VAL A 126 -5.961 8.898 -4.067 1.00 71.15 H new ATOM 0 HG11 VAL A 126 -3.505 9.083 -4.357 1.00 51.55 H new ATOM 0 HG12 VAL A 126 -4.343 10.619 -4.684 1.00 51.55 H new ATOM 0 HG13 VAL A 126 -3.474 10.388 -3.148 1.00 51.55 H new ATOM 0 HG21 VAL A 126 -4.392 7.465 -2.739 1.00 54.23 H new ATOM 0 HG22 VAL A 126 -4.433 8.665 -1.426 1.00 54.23 H new ATOM 0 HG23 VAL A 126 -5.911 7.778 -1.867 1.00 54.23 H new ATOM 2111 N LEU A 127 -7.483 11.542 -4.432 1.00 12.34 N ATOM 2112 CA LEU A 127 -7.868 12.603 -5.387 1.00 14.24 C ATOM 2113 C LEU A 127 -8.635 13.734 -4.670 1.00 10.52 C ATOM 2114 O LEU A 127 -8.528 14.904 -5.054 1.00 14.43 O ATOM 2115 CB LEU A 127 -8.722 11.999 -6.542 1.00 43.42 C ATOM 2116 CG LEU A 127 -8.004 10.925 -7.423 1.00 53.03 C ATOM 2117 CD1 LEU A 127 -8.956 10.316 -8.479 1.00 73.44 C ATOM 2118 CD2 LEU A 127 -6.735 11.502 -8.076 1.00 44.24 C ATOM 0 H LEU A 127 -8.077 10.715 -4.481 1.00 12.34 H new ATOM 0 HA LEU A 127 -6.962 13.033 -5.814 1.00 14.24 H new ATOM 0 HB2 LEU A 127 -9.617 11.550 -6.111 1.00 43.42 H new ATOM 0 HB3 LEU A 127 -9.052 12.812 -7.189 1.00 43.42 H new ATOM 0 HG LEU A 127 -7.700 10.113 -6.762 1.00 53.03 H new ATOM 0 HD11 LEU A 127 -8.418 9.575 -9.070 1.00 73.44 H new ATOM 0 HD12 LEU A 127 -9.798 9.839 -7.978 1.00 73.44 H new ATOM 0 HD13 LEU A 127 -9.324 11.105 -9.135 1.00 73.44 H new ATOM 0 HD21 LEU A 127 -6.256 10.733 -8.683 1.00 44.24 H new ATOM 0 HD22 LEU A 127 -7.004 12.348 -8.708 1.00 44.24 H new ATOM 0 HD23 LEU A 127 -6.045 11.834 -7.300 1.00 44.24 H new ATOM 2130 N GLU A 128 -9.393 13.362 -3.622 1.00 25.52 N ATOM 2131 CA GLU A 128 -10.201 14.305 -2.828 1.00 52.34 C ATOM 2132 C GLU A 128 -9.274 15.036 -1.812 1.00 71.13 C ATOM 2133 O GLU A 128 -9.047 16.243 -1.932 1.00 43.32 O ATOM 2134 CB GLU A 128 -11.361 13.512 -2.131 1.00 24.13 C ATOM 2135 CG GLU A 128 -12.627 14.325 -1.777 1.00 1.43 C ATOM 2136 CD GLU A 128 -12.390 15.449 -0.763 1.00 1.03 C ATOM 2137 OE1 GLU A 128 -12.554 16.640 -1.105 1.00 73.22 O ATOM 2138 OE2 GLU A 128 -12.021 15.140 0.381 1.00 71.15 O ATOM 0 H GLU A 128 -9.462 12.396 -3.301 1.00 25.52 H new ATOM 0 HA GLU A 128 -10.657 15.069 -3.458 1.00 52.34 H new ATOM 0 HB2 GLU A 128 -11.654 12.689 -2.783 1.00 24.13 H new ATOM 0 HB3 GLU A 128 -10.971 13.069 -1.215 1.00 24.13 H new ATOM 0 HG2 GLU A 128 -13.035 14.756 -2.691 1.00 1.43 H new ATOM 0 HG3 GLU A 128 -13.382 13.646 -1.380 1.00 1.43 H new ATOM 2145 N HIS A 129 -8.719 14.252 -0.866 1.00 71.42 N ATOM 2146 CA HIS A 129 -7.784 14.687 0.209 1.00 23.45 C ATOM 2147 C HIS A 129 -8.178 16.022 0.900 1.00 22.41 C ATOM 2148 O HIS A 129 -7.465 17.029 0.850 1.00 31.21 O ATOM 2149 CB HIS A 129 -6.281 14.643 -0.243 1.00 63.22 C ATOM 2150 CG HIS A 129 -5.871 15.642 -1.303 1.00 23.42 C ATOM 2151 ND1 HIS A 129 -5.375 16.889 -0.999 1.00 3.41 N ATOM 2152 CD2 HIS A 129 -5.877 15.568 -2.654 1.00 21.32 C ATOM 2153 CE1 HIS A 129 -5.101 17.531 -2.114 1.00 43.22 C ATOM 2154 NE2 HIS A 129 -5.397 16.754 -3.127 1.00 61.45 N ATOM 0 H HIS A 129 -8.915 13.252 -0.822 1.00 71.42 H new ATOM 0 HA HIS A 129 -7.890 13.938 0.994 1.00 23.45 H new ATOM 0 HB2 HIS A 129 -5.655 14.799 0.635 1.00 63.22 H new ATOM 0 HB3 HIS A 129 -6.064 13.641 -0.615 1.00 63.22 H new ATOM 0 HD2 HIS A 129 -6.202 14.726 -3.248 1.00 21.32 H new ATOM 0 HE1 HIS A 129 -4.699 18.531 -2.183 1.00 43.22 H new ATOM 0 HE2 HIS A 129 -5.286 16.997 -4.111 1.00 61.45 H new ATOM 2163 N HIS A 130 -9.367 16.014 1.505 1.00 63.43 N ATOM 2164 CA HIS A 130 -9.839 17.080 2.410 1.00 43.03 C ATOM 2165 C HIS A 130 -10.510 16.430 3.613 1.00 62.53 C ATOM 2166 O HIS A 130 -11.159 15.385 3.472 1.00 14.21 O ATOM 2167 CB HIS A 130 -10.850 18.029 1.708 1.00 21.45 C ATOM 2168 CG HIS A 130 -10.272 18.873 0.604 1.00 22.32 C ATOM 2169 ND1 HIS A 130 -10.310 18.506 -0.720 1.00 64.04 N ATOM 2170 CD2 HIS A 130 -9.682 20.090 0.635 1.00 32.43 C ATOM 2171 CE1 HIS A 130 -9.752 19.446 -1.450 1.00 0.42 C ATOM 2172 NE2 HIS A 130 -9.366 20.421 -0.655 1.00 50.21 N ATOM 0 H HIS A 130 -10.043 15.260 1.383 1.00 63.43 H new ATOM 0 HA HIS A 130 -8.981 17.679 2.716 1.00 43.03 H new ATOM 0 HB2 HIS A 130 -11.663 17.430 1.298 1.00 21.45 H new ATOM 0 HB3 HIS A 130 -11.287 18.689 2.458 1.00 21.45 H new ATOM 0 HD1 HIS A 130 -10.709 17.639 -1.080 1.00 64.04 H new ATOM 0 HD2 HIS A 130 -9.495 20.689 1.514 1.00 32.43 H new ATOM 0 HE1 HIS A 130 -9.631 19.422 -2.523 1.00 0.42 H new ATOM 2181 N HIS A 131 -10.346 17.050 4.791 1.00 71.12 N ATOM 2182 CA HIS A 131 -10.986 16.589 6.026 1.00 20.10 C ATOM 2183 C HIS A 131 -12.495 16.901 5.988 1.00 51.03 C ATOM 2184 O HIS A 131 -12.917 18.004 6.334 1.00 2.13 O ATOM 2185 CB HIS A 131 -10.304 17.226 7.277 1.00 11.11 C ATOM 2186 CG HIS A 131 -8.988 16.598 7.656 1.00 31.41 C ATOM 2187 ND1 HIS A 131 -8.788 15.927 8.844 1.00 74.41 N ATOM 2188 CD2 HIS A 131 -7.798 16.563 7.010 1.00 62.22 C ATOM 2189 CE1 HIS A 131 -7.542 15.513 8.912 1.00 64.13 C ATOM 2190 NE2 HIS A 131 -6.916 15.886 7.816 1.00 24.12 N ATOM 0 H HIS A 131 -9.768 17.882 4.911 1.00 71.12 H new ATOM 0 HA HIS A 131 -10.863 15.509 6.103 1.00 20.10 H new ATOM 0 HB2 HIS A 131 -10.145 18.288 7.088 1.00 11.11 H new ATOM 0 HB3 HIS A 131 -10.986 17.152 8.124 1.00 11.11 H new ATOM 0 HD2 HIS A 131 -7.583 16.989 6.041 1.00 62.22 H new ATOM 0 HE1 HIS A 131 -7.105 14.960 9.730 1.00 64.13 H new ATOM 0 HE2 HIS A 131 -5.936 15.702 7.601 1.00 24.12 H new ATOM 2199 N HIS A 132 -13.283 15.931 5.486 1.00 64.32 N ATOM 2200 CA HIS A 132 -14.759 15.945 5.584 1.00 13.01 C ATOM 2201 C HIS A 132 -15.170 15.240 6.879 1.00 61.34 C ATOM 2202 O HIS A 132 -14.433 14.393 7.389 1.00 74.25 O ATOM 2203 CB HIS A 132 -15.413 15.246 4.357 1.00 74.15 C ATOM 2204 CG HIS A 132 -15.264 16.001 3.060 1.00 41.15 C ATOM 2205 ND1 HIS A 132 -16.335 16.421 2.295 1.00 53.24 N ATOM 2206 CD2 HIS A 132 -14.161 16.404 2.390 1.00 43.42 C ATOM 2207 CE1 HIS A 132 -15.891 17.040 1.221 1.00 34.43 C ATOM 2208 NE2 HIS A 132 -14.577 17.041 1.252 1.00 25.04 N ATOM 0 H HIS A 132 -12.915 15.113 5.000 1.00 64.32 H new ATOM 0 HA HIS A 132 -15.106 16.978 5.594 1.00 13.01 H new ATOM 0 HB2 HIS A 132 -14.972 14.256 4.240 1.00 74.15 H new ATOM 0 HB3 HIS A 132 -16.474 15.101 4.559 1.00 74.15 H new ATOM 0 HD2 HIS A 132 -13.137 16.251 2.697 1.00 43.42 H new ATOM 0 HE1 HIS A 132 -16.504 17.474 0.445 1.00 34.43 H new ATOM 0 HE2 HIS A 132 -13.967 17.450 0.544 1.00 25.04 H new ATOM 2217 N HIS A 133 -16.343 15.598 7.410 1.00 41.21 N ATOM 2218 CA HIS A 133 -16.905 14.953 8.615 1.00 52.54 C ATOM 2219 C HIS A 133 -17.549 13.586 8.279 1.00 13.02 C ATOM 2220 O HIS A 133 -17.961 12.848 9.180 1.00 52.04 O ATOM 2221 CB HIS A 133 -17.899 15.913 9.313 1.00 71.12 C ATOM 2222 CG HIS A 133 -17.234 17.139 9.881 1.00 71.45 C ATOM 2223 ND1 HIS A 133 -17.634 18.428 9.597 1.00 32.02 N ATOM 2224 CD2 HIS A 133 -16.189 17.259 10.739 1.00 62.44 C ATOM 2225 CE1 HIS A 133 -16.866 19.280 10.247 1.00 32.34 C ATOM 2226 NE2 HIS A 133 -15.987 18.597 10.945 1.00 4.14 N ATOM 0 H HIS A 133 -16.931 16.337 7.025 1.00 41.21 H new ATOM 0 HA HIS A 133 -16.093 14.745 9.312 1.00 52.54 H new ATOM 0 HB2 HIS A 133 -18.663 16.219 8.598 1.00 71.12 H new ATOM 0 HB3 HIS A 133 -18.409 15.379 10.115 1.00 71.12 H new ATOM 0 HD2 HIS A 133 -15.623 16.450 11.177 1.00 62.44 H new ATOM 0 HE1 HIS A 133 -16.946 20.356 10.212 1.00 32.34 H new ATOM 0 HE2 HIS A 133 -15.268 19.000 11.545 1.00 4.14 H new ATOM 2235 N HIS A 134 -17.630 13.265 6.974 1.00 21.31 N ATOM 2236 CA HIS A 134 -17.952 11.918 6.476 1.00 33.22 C ATOM 2237 C HIS A 134 -16.686 11.345 5.794 1.00 42.23 C ATOM 2238 O HIS A 134 -16.014 10.479 6.387 1.00 73.42 O ATOM 2239 CB HIS A 134 -19.149 11.976 5.490 1.00 62.51 C ATOM 2240 CG HIS A 134 -19.475 10.657 4.832 1.00 22.25 C ATOM 2241 ND1 HIS A 134 -20.174 9.657 5.470 1.00 11.34 N ATOM 2242 CD2 HIS A 134 -19.171 10.165 3.602 1.00 40.23 C ATOM 2243 CE1 HIS A 134 -20.278 8.619 4.671 1.00 44.42 C ATOM 2244 NE2 HIS A 134 -19.685 8.902 3.537 1.00 42.11 N ATOM 2245 OXT HIS A 134 -16.335 11.816 4.692 1.00 37.51 O ATOM 0 H HIS A 134 -17.472 13.943 6.229 1.00 21.31 H new ATOM 0 HA HIS A 134 -18.248 11.268 7.299 1.00 33.22 H new ATOM 0 HB2 HIS A 134 -20.030 12.329 6.026 1.00 62.51 H new ATOM 0 HB3 HIS A 134 -18.932 12.711 4.715 1.00 62.51 H new ATOM 0 HD2 HIS A 134 -18.626 10.677 2.823 1.00 40.23 H new ATOM 0 HE1 HIS A 134 -20.770 7.688 4.909 1.00 44.42 H new ATOM 0 HE2 HIS A 134 -19.618 8.278 2.733 1.00 42.11 H new TER 2254 HIS A 134