USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 969 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 108 THR OG1 : rot 180:sc= -0.0745 USER MOD Set 1.2: A 109 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 9 SER OG : rot 120:sc= 0.0215 USER MOD Set 2.2: A 14 THR OG1 : rot 172:sc= -0.164 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -168:sc= -0.0201 (180deg=-0.144) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -169:sc= -0.0235 (180deg=-0.202) USER MOD Single : A 24 LYS NZ :NH3+ -152:sc= 0.937 (180deg=0.425) USER MOD Single : A 25 ASN :FLIP amide:sc= -0.306 F(o=-0.88,f=-0.31) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 25:sc= 0.379 USER MOD Single : A 34 SER OG : rot 180:sc=-0.00436 USER MOD Single : A 36 GLN : amide:sc= 0.336 X(o=0.34,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -168:sc=-0.00691 (180deg=-0.13) USER MOD Single : A 41 SER OG : rot -39:sc= 1.2 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -127:sc= 1.19 (180deg=0.154) USER MOD Single : A 66 LYS NZ :NH3+ 159:sc= -0.117 (180deg=-0.593) USER MOD Single : A 72 LYS NZ :NH3+ 167:sc= -0.0281 (180deg=-0.213) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 88 ASN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 94 SER OG : rot 85:sc= 0.279 USER MOD Single : A 106 THR OG1 : rot 31:sc= 0.557 USER MOD Single : A 114 LYS NZ :NH3+ 156:sc= 1.19 (180deg=1.02) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 85:sc= 0.97 USER MOD ----------------------------------------------------------------- ATOM 34 N ILE A 3 2.175 2.578 7.048 1.00 53.53 N ATOM 35 CA ILE A 3 1.448 3.014 5.851 1.00 52.25 C ATOM 36 C ILE A 3 1.608 1.970 4.734 1.00 43.33 C ATOM 37 O ILE A 3 2.719 1.705 4.275 1.00 50.22 O ATOM 38 CB ILE A 3 1.937 4.409 5.363 1.00 55.51 C ATOM 39 CG1 ILE A 3 1.293 4.774 4.010 1.00 13.33 C ATOM 40 CG2 ILE A 3 3.464 4.456 5.275 1.00 54.32 C ATOM 41 CD1 ILE A 3 1.693 6.137 3.479 1.00 3.40 C ATOM 0 HA ILE A 3 0.393 3.107 6.110 1.00 52.25 H new ATOM 0 HB ILE A 3 1.623 5.151 6.097 1.00 55.51 H new ATOM 0 HG12 ILE A 3 1.564 4.016 3.275 1.00 13.33 H new ATOM 0 HG13 ILE A 3 0.209 4.742 4.116 1.00 13.33 H new ATOM 0 HG21 ILE A 3 3.778 5.442 4.932 1.00 54.32 H new ATOM 0 HG22 ILE A 3 3.891 4.261 6.259 1.00 54.32 H new ATOM 0 HG23 ILE A 3 3.811 3.699 4.572 1.00 54.32 H new ATOM 0 HD11 ILE A 3 1.197 6.316 2.525 1.00 3.40 H new ATOM 0 HD12 ILE A 3 1.397 6.906 4.192 1.00 3.40 H new ATOM 0 HD13 ILE A 3 2.773 6.170 3.338 1.00 3.40 H new ATOM 53 N VAL A 4 0.499 1.363 4.315 1.00 73.53 N ATOM 54 CA VAL A 4 0.547 0.231 3.384 1.00 74.45 C ATOM 55 C VAL A 4 0.071 0.614 1.976 1.00 1.33 C ATOM 56 O VAL A 4 -1.022 1.155 1.799 1.00 72.21 O ATOM 57 CB VAL A 4 -0.307 -0.952 3.905 1.00 24.53 C ATOM 58 CG1 VAL A 4 -0.208 -2.155 2.968 1.00 3.34 C ATOM 59 CG2 VAL A 4 0.109 -1.334 5.325 1.00 0.04 C ATOM 0 H VAL A 4 -0.442 1.633 4.603 1.00 73.53 H new ATOM 0 HA VAL A 4 1.593 -0.071 3.321 1.00 74.45 H new ATOM 0 HB VAL A 4 -1.348 -0.631 3.929 1.00 24.53 H new ATOM 0 HG11 VAL A 4 -0.817 -2.971 3.358 1.00 3.34 H new ATOM 0 HG12 VAL A 4 -0.567 -1.875 1.978 1.00 3.34 H new ATOM 0 HG13 VAL A 4 0.831 -2.478 2.899 1.00 3.34 H new ATOM 0 HG21 VAL A 4 -0.503 -2.167 5.672 1.00 0.04 H new ATOM 0 HG22 VAL A 4 1.158 -1.628 5.330 1.00 0.04 H new ATOM 0 HG23 VAL A 4 -0.031 -0.480 5.987 1.00 0.04 H new ATOM 69 N ILE A 5 0.902 0.327 0.977 1.00 10.31 N ATOM 70 CA ILE A 5 0.549 0.558 -0.429 1.00 25.54 C ATOM 71 C ILE A 5 0.417 -0.776 -1.185 1.00 62.23 C ATOM 72 O ILE A 5 1.374 -1.537 -1.289 1.00 62.02 O ATOM 73 CB ILE A 5 1.608 1.448 -1.130 1.00 60.42 C ATOM 74 CG1 ILE A 5 1.771 2.778 -0.372 1.00 42.13 C ATOM 75 CG2 ILE A 5 1.223 1.699 -2.592 1.00 34.41 C ATOM 76 CD1 ILE A 5 2.859 3.678 -0.924 1.00 33.01 C ATOM 0 H ILE A 5 1.832 -0.069 1.113 1.00 10.31 H new ATOM 0 HA ILE A 5 -0.411 1.074 -0.446 1.00 25.54 H new ATOM 0 HB ILE A 5 2.564 0.924 -1.119 1.00 60.42 H new ATOM 0 HG12 ILE A 5 0.823 3.316 -0.396 1.00 42.13 H new ATOM 0 HG13 ILE A 5 1.989 2.563 0.674 1.00 42.13 H new ATOM 0 HG21 ILE A 5 1.979 2.325 -3.065 1.00 34.41 H new ATOM 0 HG22 ILE A 5 1.158 0.747 -3.120 1.00 34.41 H new ATOM 0 HG23 ILE A 5 0.257 2.203 -2.633 1.00 34.41 H new ATOM 0 HD11 ILE A 5 2.908 4.593 -0.334 1.00 33.01 H new ATOM 0 HD12 ILE A 5 3.818 3.162 -0.874 1.00 33.01 H new ATOM 0 HD13 ILE A 5 2.634 3.927 -1.961 1.00 33.01 H new ATOM 88 N VAL A 6 -0.774 -1.057 -1.708 1.00 0.13 N ATOM 89 CA VAL A 6 -1.040 -2.319 -2.413 1.00 10.15 C ATOM 90 C VAL A 6 -0.884 -2.158 -3.937 1.00 53.42 C ATOM 91 O VAL A 6 -1.395 -1.207 -4.524 1.00 74.33 O ATOM 92 CB VAL A 6 -2.466 -2.841 -2.096 1.00 14.43 C ATOM 93 CG1 VAL A 6 -2.725 -4.184 -2.779 1.00 51.42 C ATOM 94 CG2 VAL A 6 -2.676 -2.948 -0.586 1.00 12.34 C ATOM 0 H VAL A 6 -1.576 -0.429 -1.659 1.00 0.13 H new ATOM 0 HA VAL A 6 -0.305 -3.042 -2.061 1.00 10.15 H new ATOM 0 HB VAL A 6 -3.185 -2.123 -2.491 1.00 14.43 H new ATOM 0 HG11 VAL A 6 -3.732 -4.526 -2.539 1.00 51.42 H new ATOM 0 HG12 VAL A 6 -2.629 -4.068 -3.858 1.00 51.42 H new ATOM 0 HG13 VAL A 6 -1.999 -4.917 -2.427 1.00 51.42 H new ATOM 0 HG21 VAL A 6 -3.682 -3.316 -0.384 1.00 12.34 H new ATOM 0 HG22 VAL A 6 -1.946 -3.639 -0.165 1.00 12.34 H new ATOM 0 HG23 VAL A 6 -2.550 -1.966 -0.131 1.00 12.34 H new ATOM 104 N VAL A 7 -0.177 -3.095 -4.572 1.00 50.44 N ATOM 105 CA VAL A 7 0.050 -3.052 -6.026 1.00 1.32 C ATOM 106 C VAL A 7 -0.578 -4.261 -6.745 1.00 41.11 C ATOM 107 O VAL A 7 -0.094 -5.389 -6.621 1.00 14.04 O ATOM 108 CB VAL A 7 1.567 -3.009 -6.361 1.00 42.45 C ATOM 109 CG1 VAL A 7 1.794 -2.948 -7.874 1.00 65.01 C ATOM 110 CG2 VAL A 7 2.242 -1.830 -5.666 1.00 2.00 C ATOM 0 H VAL A 7 0.250 -3.895 -4.106 1.00 50.44 H new ATOM 0 HA VAL A 7 -0.430 -2.140 -6.380 1.00 1.32 H new ATOM 0 HB VAL A 7 2.019 -3.929 -5.989 1.00 42.45 H new ATOM 0 HG11 VAL A 7 2.864 -2.919 -8.081 1.00 65.01 H new ATOM 0 HG12 VAL A 7 1.358 -3.830 -8.343 1.00 65.01 H new ATOM 0 HG13 VAL A 7 1.322 -2.052 -8.277 1.00 65.01 H new ATOM 0 HG21 VAL A 7 3.303 -1.820 -5.915 1.00 2.00 H new ATOM 0 HG22 VAL A 7 1.782 -0.900 -5.999 1.00 2.00 H new ATOM 0 HG23 VAL A 7 2.123 -1.927 -4.587 1.00 2.00 H new ATOM 120 N PHE A 8 -1.653 -4.023 -7.500 1.00 64.34 N ATOM 121 CA PHE A 8 -2.248 -5.064 -8.352 1.00 25.33 C ATOM 122 C PHE A 8 -1.534 -5.139 -9.712 1.00 70.23 C ATOM 123 O PHE A 8 -2.138 -4.930 -10.767 1.00 52.34 O ATOM 124 CB PHE A 8 -3.755 -4.816 -8.549 1.00 32.42 C ATOM 125 CG PHE A 8 -4.593 -5.123 -7.330 1.00 73.25 C ATOM 126 CD1 PHE A 8 -4.723 -4.199 -6.304 1.00 44.13 C ATOM 127 CD2 PHE A 8 -5.254 -6.340 -7.215 1.00 52.15 C ATOM 128 CE1 PHE A 8 -5.492 -4.483 -5.191 1.00 35.31 C ATOM 129 CE2 PHE A 8 -6.022 -6.626 -6.105 1.00 43.54 C ATOM 130 CZ PHE A 8 -6.142 -5.696 -5.091 1.00 60.32 C ATOM 0 H PHE A 8 -2.131 -3.123 -7.541 1.00 64.34 H new ATOM 0 HA PHE A 8 -2.120 -6.021 -7.847 1.00 25.33 H new ATOM 0 HB2 PHE A 8 -3.908 -3.774 -8.829 1.00 32.42 H new ATOM 0 HB3 PHE A 8 -4.107 -5.425 -9.382 1.00 32.42 H new ATOM 0 HD1 PHE A 8 -4.218 -3.247 -6.375 1.00 44.13 H new ATOM 0 HD2 PHE A 8 -5.165 -7.071 -8.005 1.00 52.15 H new ATOM 0 HE1 PHE A 8 -5.584 -3.755 -4.399 1.00 35.31 H new ATOM 0 HE2 PHE A 8 -6.529 -7.577 -6.029 1.00 43.54 H new ATOM 0 HZ PHE A 8 -6.743 -5.918 -4.222 1.00 60.32 H new ATOM 140 N SER A 9 -0.238 -5.430 -9.672 1.00 61.51 N ATOM 141 CA SER A 9 0.570 -5.602 -10.887 1.00 5.43 C ATOM 142 C SER A 9 1.745 -6.548 -10.615 1.00 11.21 C ATOM 143 O SER A 9 2.629 -6.246 -9.816 1.00 20.34 O ATOM 144 CB SER A 9 1.089 -4.252 -11.408 1.00 3.01 C ATOM 145 OG SER A 9 1.834 -4.414 -12.610 1.00 61.42 O ATOM 0 H SER A 9 0.285 -5.554 -8.805 1.00 61.51 H new ATOM 0 HA SER A 9 -0.069 -6.038 -11.655 1.00 5.43 H new ATOM 0 HB2 SER A 9 0.249 -3.581 -11.586 1.00 3.01 H new ATOM 0 HB3 SER A 9 1.716 -3.784 -10.649 1.00 3.01 H new ATOM 0 HG SER A 9 1.408 -3.904 -13.330 1.00 61.42 H new ATOM 151 N THR A 10 1.732 -7.697 -11.281 1.00 52.43 N ATOM 152 CA THR A 10 2.739 -8.750 -11.066 1.00 71.44 C ATOM 153 C THR A 10 4.105 -8.401 -11.680 1.00 20.12 C ATOM 154 O THR A 10 5.101 -9.079 -11.421 1.00 3.30 O ATOM 155 CB THR A 10 2.264 -10.098 -11.660 1.00 15.03 C ATOM 156 OG1 THR A 10 2.114 -9.988 -13.090 1.00 74.43 O ATOM 157 CG2 THR A 10 0.935 -10.524 -11.041 1.00 34.15 C ATOM 0 H THR A 10 1.031 -7.932 -11.983 1.00 52.43 H new ATOM 0 HA THR A 10 2.858 -8.833 -9.986 1.00 71.44 H new ATOM 0 HB THR A 10 3.017 -10.852 -11.432 1.00 15.03 H new ATOM 0 HG1 THR A 10 1.815 -10.847 -13.455 1.00 74.43 H new ATOM 0 HG21 THR A 10 0.620 -11.474 -11.473 1.00 34.15 H new ATOM 0 HG22 THR A 10 1.055 -10.638 -9.964 1.00 34.15 H new ATOM 0 HG23 THR A 10 0.179 -9.765 -11.244 1.00 34.15 H new ATOM 165 N ASP A 11 4.148 -7.349 -12.495 1.00 13.25 N ATOM 166 CA ASP A 11 5.387 -6.935 -13.164 1.00 11.20 C ATOM 167 C ASP A 11 6.371 -6.250 -12.201 1.00 23.42 C ATOM 168 O ASP A 11 6.062 -5.210 -11.610 1.00 33.23 O ATOM 169 CB ASP A 11 5.069 -5.995 -14.331 1.00 22.23 C ATOM 170 CG ASP A 11 4.425 -6.725 -15.491 1.00 15.21 C ATOM 171 OD1 ASP A 11 3.195 -6.930 -15.465 1.00 4.31 O ATOM 172 OD2 ASP A 11 5.152 -7.110 -16.426 1.00 3.44 O ATOM 0 H ASP A 11 3.340 -6.765 -12.710 1.00 13.25 H new ATOM 0 HA ASP A 11 5.867 -7.840 -13.537 1.00 11.20 H new ATOM 0 HB2 ASP A 11 4.404 -5.203 -13.987 1.00 22.23 H new ATOM 0 HB3 ASP A 11 5.987 -5.515 -14.670 1.00 22.23 H new ATOM 177 N GLU A 12 7.567 -6.829 -12.071 1.00 23.44 N ATOM 178 CA GLU A 12 8.629 -6.239 -11.249 1.00 12.44 C ATOM 179 C GLU A 12 8.982 -4.823 -11.741 1.00 40.20 C ATOM 180 O GLU A 12 9.305 -3.936 -10.947 1.00 20.45 O ATOM 181 CB GLU A 12 9.881 -7.134 -11.266 1.00 44.14 C ATOM 182 CG GLU A 12 10.490 -7.333 -12.654 1.00 43.30 C ATOM 183 CD GLU A 12 11.790 -8.126 -12.618 1.00 41.45 C ATOM 184 OE1 GLU A 12 12.793 -7.607 -12.081 1.00 71.02 O ATOM 185 OE2 GLU A 12 11.817 -9.270 -13.118 1.00 12.54 O ATOM 0 H GLU A 12 7.825 -7.706 -12.524 1.00 23.44 H new ATOM 0 HA GLU A 12 8.263 -6.165 -10.225 1.00 12.44 H new ATOM 0 HB2 GLU A 12 10.634 -6.698 -10.610 1.00 44.14 H new ATOM 0 HB3 GLU A 12 9.623 -8.109 -10.852 1.00 44.14 H new ATOM 0 HG2 GLU A 12 9.772 -7.850 -13.291 1.00 43.30 H new ATOM 0 HG3 GLU A 12 10.676 -6.359 -13.108 1.00 43.30 H new ATOM 192 N GLU A 13 8.904 -4.623 -13.059 1.00 1.24 N ATOM 193 CA GLU A 13 9.142 -3.310 -13.666 1.00 51.21 C ATOM 194 C GLU A 13 8.151 -2.270 -13.126 1.00 22.14 C ATOM 195 O GLU A 13 8.549 -1.196 -12.677 1.00 72.40 O ATOM 196 CB GLU A 13 9.030 -3.398 -15.197 1.00 3.24 C ATOM 197 CG GLU A 13 10.040 -4.345 -15.840 1.00 10.52 C ATOM 198 CD GLU A 13 11.484 -3.887 -15.663 1.00 74.04 C ATOM 199 OE1 GLU A 13 11.985 -3.132 -16.523 1.00 14.15 O ATOM 200 OE2 GLU A 13 12.126 -4.286 -14.669 1.00 32.14 O ATOM 0 H GLU A 13 8.677 -5.357 -13.730 1.00 1.24 H new ATOM 0 HA GLU A 13 10.152 -2.995 -13.403 1.00 51.21 H new ATOM 0 HB2 GLU A 13 8.024 -3.724 -15.459 1.00 3.24 H new ATOM 0 HB3 GLU A 13 9.162 -2.402 -15.619 1.00 3.24 H new ATOM 0 HG2 GLU A 13 9.924 -5.339 -15.407 1.00 10.52 H new ATOM 0 HG3 GLU A 13 9.821 -4.433 -16.904 1.00 10.52 H new ATOM 207 N THR A 14 6.860 -2.605 -13.158 1.00 72.21 N ATOM 208 CA THR A 14 5.809 -1.717 -12.639 1.00 50.41 C ATOM 209 C THR A 14 6.107 -1.291 -11.194 1.00 31.32 C ATOM 210 O THR A 14 6.048 -0.107 -10.855 1.00 64.32 O ATOM 211 CB THR A 14 4.417 -2.397 -12.685 1.00 2.41 C ATOM 212 OG1 THR A 14 4.103 -2.797 -14.028 1.00 64.31 O ATOM 213 CG2 THR A 14 3.327 -1.463 -12.170 1.00 64.21 C ATOM 0 H THR A 14 6.513 -3.486 -13.538 1.00 72.21 H new ATOM 0 HA THR A 14 5.797 -0.837 -13.281 1.00 50.41 H new ATOM 0 HB THR A 14 4.457 -3.275 -12.040 1.00 2.41 H new ATOM 0 HG1 THR A 14 3.285 -3.337 -14.026 1.00 64.31 H new ATOM 0 HG21 THR A 14 2.363 -1.969 -12.215 1.00 64.21 H new ATOM 0 HG22 THR A 14 3.543 -1.185 -11.138 1.00 64.21 H new ATOM 0 HG23 THR A 14 3.295 -0.566 -12.788 1.00 64.21 H new ATOM 221 N LEU A 15 6.446 -2.269 -10.356 1.00 63.15 N ATOM 222 CA LEU A 15 6.812 -2.010 -8.960 1.00 13.53 C ATOM 223 C LEU A 15 8.005 -1.042 -8.864 1.00 71.13 C ATOM 224 O LEU A 15 8.010 -0.122 -8.038 1.00 23.01 O ATOM 225 CB LEU A 15 7.149 -3.331 -8.259 1.00 42.31 C ATOM 226 CG LEU A 15 7.583 -3.209 -6.788 1.00 64.22 C ATOM 227 CD1 LEU A 15 6.488 -2.557 -5.942 1.00 42.55 C ATOM 228 CD2 LEU A 15 7.955 -4.579 -6.227 1.00 51.20 C ATOM 0 H LEU A 15 6.476 -3.254 -10.619 1.00 63.15 H new ATOM 0 HA LEU A 15 5.961 -1.542 -8.466 1.00 13.53 H new ATOM 0 HB2 LEU A 15 6.276 -3.982 -8.309 1.00 42.31 H new ATOM 0 HB3 LEU A 15 7.946 -3.824 -8.815 1.00 42.31 H new ATOM 0 HG LEU A 15 8.463 -2.567 -6.747 1.00 64.22 H new ATOM 0 HD11 LEU A 15 6.823 -2.484 -4.907 1.00 42.55 H new ATOM 0 HD12 LEU A 15 6.277 -1.559 -6.326 1.00 42.55 H new ATOM 0 HD13 LEU A 15 5.583 -3.163 -5.989 1.00 42.55 H new ATOM 0 HD21 LEU A 15 8.260 -4.475 -5.186 1.00 51.20 H new ATOM 0 HD22 LEU A 15 7.093 -5.244 -6.288 1.00 51.20 H new ATOM 0 HD23 LEU A 15 8.778 -4.998 -6.806 1.00 51.20 H new ATOM 240 N ARG A 16 9.010 -1.248 -9.716 1.00 51.10 N ATOM 241 CA ARG A 16 10.196 -0.384 -9.744 1.00 33.33 C ATOM 242 C ARG A 16 9.824 1.082 -10.040 1.00 1.43 C ATOM 243 O ARG A 16 10.360 2.008 -9.425 1.00 0.13 O ATOM 244 CB ARG A 16 11.210 -0.897 -10.779 1.00 11.13 C ATOM 245 CG ARG A 16 12.450 -0.019 -10.908 1.00 20.21 C ATOM 246 CD ARG A 16 13.461 -0.580 -11.905 1.00 43.34 C ATOM 247 NE ARG A 16 14.586 0.333 -12.088 1.00 15.30 N ATOM 248 CZ ARG A 16 15.768 -0.019 -12.510 1.00 65.30 C ATOM 249 NH1 ARG A 16 16.025 -1.249 -12.823 1.00 31.12 N ATOM 250 NH2 ARG A 16 16.691 0.873 -12.624 1.00 44.32 N ATOM 0 H ARG A 16 9.028 -2.006 -10.398 1.00 51.10 H new ATOM 0 HA ARG A 16 10.652 -0.418 -8.754 1.00 33.33 H new ATOM 0 HB2 ARG A 16 11.517 -1.906 -10.505 1.00 11.13 H new ATOM 0 HB3 ARG A 16 10.721 -0.965 -11.751 1.00 11.13 H new ATOM 0 HG2 ARG A 16 12.152 0.982 -11.221 1.00 20.21 H new ATOM 0 HG3 ARG A 16 12.924 0.081 -9.932 1.00 20.21 H new ATOM 0 HD2 ARG A 16 13.826 -1.545 -11.553 1.00 43.34 H new ATOM 0 HD3 ARG A 16 12.972 -0.755 -12.863 1.00 43.34 H new ATOM 0 HE ARG A 16 14.436 1.318 -11.870 1.00 15.30 H new ATOM 0 HH11 ARG A 16 15.297 -1.959 -12.741 1.00 31.12 H new ATOM 0 HH12 ARG A 16 16.955 -1.508 -13.152 1.00 31.12 H new ATOM 0 HH21 ARG A 16 16.493 1.845 -12.385 1.00 44.32 H new ATOM 0 HH22 ARG A 16 17.619 0.607 -12.953 1.00 44.32 H new ATOM 264 N LYS A 17 8.893 1.289 -10.969 1.00 54.14 N ATOM 265 CA LYS A 17 8.443 2.642 -11.329 1.00 55.34 C ATOM 266 C LYS A 17 7.671 3.319 -10.179 1.00 32.24 C ATOM 267 O LYS A 17 7.602 4.547 -10.110 1.00 42.55 O ATOM 268 CB LYS A 17 7.577 2.608 -12.606 1.00 70.25 C ATOM 269 CG LYS A 17 8.375 2.553 -13.915 1.00 53.44 C ATOM 270 CD LYS A 17 9.310 1.350 -13.974 1.00 12.44 C ATOM 271 CE LYS A 17 10.076 1.279 -15.291 1.00 14.33 C ATOM 272 NZ LYS A 17 9.169 1.100 -16.456 1.00 35.34 N ATOM 0 H LYS A 17 8.433 0.541 -11.488 1.00 54.14 H new ATOM 0 HA LYS A 17 9.336 3.236 -11.522 1.00 55.34 H new ATOM 0 HB2 LYS A 17 6.918 1.741 -12.560 1.00 70.25 H new ATOM 0 HB3 LYS A 17 6.939 3.492 -12.621 1.00 70.25 H new ATOM 0 HG2 LYS A 17 7.684 2.515 -14.757 1.00 53.44 H new ATOM 0 HG3 LYS A 17 8.957 3.468 -14.021 1.00 53.44 H new ATOM 0 HD2 LYS A 17 10.018 1.401 -13.147 1.00 12.44 H new ATOM 0 HD3 LYS A 17 8.731 0.436 -13.843 1.00 12.44 H new ATOM 0 HE2 LYS A 17 10.657 2.192 -15.422 1.00 14.33 H new ATOM 0 HE3 LYS A 17 10.785 0.452 -15.254 1.00 14.33 H new ATOM 0 HZ1 LYS A 17 9.729 0.854 -17.297 1.00 35.34 H new ATOM 0 HZ2 LYS A 17 8.493 0.336 -16.255 1.00 35.34 H new ATOM 0 HZ3 LYS A 17 8.650 1.984 -16.631 1.00 35.34 H new ATOM 286 N PHE A 18 7.091 2.520 -9.281 1.00 35.42 N ATOM 287 CA PHE A 18 6.386 3.066 -8.111 1.00 22.35 C ATOM 288 C PHE A 18 7.349 3.392 -6.961 1.00 72.51 C ATOM 289 O PHE A 18 7.260 4.460 -6.351 1.00 32.50 O ATOM 290 CB PHE A 18 5.295 2.102 -7.625 1.00 3.15 C ATOM 291 CG PHE A 18 4.078 2.076 -8.518 1.00 72.33 C ATOM 292 CD1 PHE A 18 3.423 3.256 -8.846 1.00 44.43 C ATOM 293 CD2 PHE A 18 3.591 0.882 -9.030 1.00 52.22 C ATOM 294 CE1 PHE A 18 2.310 3.246 -9.663 1.00 43.34 C ATOM 295 CE2 PHE A 18 2.478 0.868 -9.847 1.00 71.52 C ATOM 296 CZ PHE A 18 1.837 2.051 -10.164 1.00 45.22 C ATOM 0 H PHE A 18 7.093 1.502 -9.337 1.00 35.42 H new ATOM 0 HA PHE A 18 5.918 3.997 -8.431 1.00 22.35 H new ATOM 0 HB2 PHE A 18 5.711 1.097 -7.561 1.00 3.15 H new ATOM 0 HB3 PHE A 18 4.991 2.386 -6.618 1.00 3.15 H new ATOM 0 HD1 PHE A 18 3.789 4.194 -8.457 1.00 44.43 H new ATOM 0 HD2 PHE A 18 4.087 -0.046 -8.787 1.00 52.22 H new ATOM 0 HE1 PHE A 18 1.811 4.172 -9.909 1.00 43.34 H new ATOM 0 HE2 PHE A 18 2.108 -0.068 -10.239 1.00 71.52 H new ATOM 0 HZ PHE A 18 0.967 2.040 -10.803 1.00 45.22 H new ATOM 306 N LYS A 19 8.271 2.475 -6.661 1.00 34.44 N ATOM 307 CA LYS A 19 9.249 2.712 -5.592 1.00 61.33 C ATOM 308 C LYS A 19 10.134 3.927 -5.917 1.00 45.43 C ATOM 309 O LYS A 19 10.632 4.603 -5.015 1.00 34.34 O ATOM 310 CB LYS A 19 10.118 1.468 -5.336 1.00 34.10 C ATOM 311 CG LYS A 19 11.009 1.062 -6.505 1.00 35.41 C ATOM 312 CD LYS A 19 12.030 -0.007 -6.105 1.00 33.13 C ATOM 313 CE LYS A 19 11.373 -1.266 -5.543 1.00 21.01 C ATOM 314 NZ LYS A 19 12.382 -2.267 -5.099 1.00 63.35 N ATOM 0 H LYS A 19 8.363 1.575 -7.133 1.00 34.44 H new ATOM 0 HA LYS A 19 8.690 2.924 -4.680 1.00 61.33 H new ATOM 0 HB2 LYS A 19 10.747 1.654 -4.465 1.00 34.10 H new ATOM 0 HB3 LYS A 19 9.466 0.631 -5.086 1.00 34.10 H new ATOM 0 HG2 LYS A 19 10.390 0.685 -7.319 1.00 35.41 H new ATOM 0 HG3 LYS A 19 11.533 1.940 -6.883 1.00 35.41 H new ATOM 0 HD2 LYS A 19 12.632 -0.273 -6.974 1.00 33.13 H new ATOM 0 HD3 LYS A 19 12.711 0.406 -5.361 1.00 33.13 H new ATOM 0 HE2 LYS A 19 10.733 -0.997 -4.702 1.00 21.01 H new ATOM 0 HE3 LYS A 19 10.730 -1.711 -6.303 1.00 21.01 H new ATOM 0 HZ1 LYS A 19 11.896 -3.107 -4.724 1.00 63.35 H new ATOM 0 HZ2 LYS A 19 12.976 -2.543 -5.907 1.00 63.35 H new ATOM 0 HZ3 LYS A 19 12.979 -1.852 -4.356 1.00 63.35 H new ATOM 328 N ASP A 20 10.312 4.201 -7.214 1.00 63.24 N ATOM 329 CA ASP A 20 11.046 5.388 -7.664 1.00 10.05 C ATOM 330 C ASP A 20 10.403 6.673 -7.121 1.00 23.14 C ATOM 331 O ASP A 20 11.097 7.600 -6.710 1.00 14.22 O ATOM 332 CB ASP A 20 11.105 5.434 -9.198 1.00 50.14 C ATOM 333 CG ASP A 20 11.913 6.616 -9.716 1.00 33.43 C ATOM 334 OD1 ASP A 20 13.126 6.678 -9.426 1.00 53.12 O ATOM 335 OD2 ASP A 20 11.342 7.490 -10.404 1.00 51.10 O ATOM 0 H ASP A 20 9.957 3.616 -7.971 1.00 63.24 H new ATOM 0 HA ASP A 20 12.062 5.322 -7.274 1.00 10.05 H new ATOM 0 HB2 ASP A 20 11.544 4.508 -9.569 1.00 50.14 H new ATOM 0 HB3 ASP A 20 10.092 5.489 -9.596 1.00 50.14 H new ATOM 340 N ILE A 21 9.073 6.713 -7.115 1.00 64.15 N ATOM 341 CA ILE A 21 8.329 7.860 -6.584 1.00 24.40 C ATOM 342 C ILE A 21 8.559 8.023 -5.069 1.00 44.12 C ATOM 343 O ILE A 21 8.923 9.101 -4.596 1.00 13.52 O ATOM 344 CB ILE A 21 6.810 7.711 -6.864 1.00 71.54 C ATOM 345 CG1 ILE A 21 6.557 7.556 -8.375 1.00 33.43 C ATOM 346 CG2 ILE A 21 6.038 8.906 -6.302 1.00 12.32 C ATOM 347 CD1 ILE A 21 5.107 7.301 -8.733 1.00 63.22 C ATOM 0 H ILE A 21 8.483 5.962 -7.473 1.00 64.15 H new ATOM 0 HA ILE A 21 8.701 8.750 -7.092 1.00 24.40 H new ATOM 0 HB ILE A 21 6.451 6.812 -6.362 1.00 71.54 H new ATOM 0 HG12 ILE A 21 6.893 8.459 -8.884 1.00 33.43 H new ATOM 0 HG13 ILE A 21 7.164 6.733 -8.752 1.00 33.43 H new ATOM 0 HG21 ILE A 21 4.975 8.782 -6.509 1.00 12.32 H new ATOM 0 HG22 ILE A 21 6.194 8.966 -5.225 1.00 12.32 H new ATOM 0 HG23 ILE A 21 6.395 9.823 -6.771 1.00 12.32 H new ATOM 0 HD11 ILE A 21 5.011 7.203 -9.814 1.00 63.22 H new ATOM 0 HD12 ILE A 21 4.770 6.381 -8.254 1.00 63.22 H new ATOM 0 HD13 ILE A 21 4.495 8.135 -8.388 1.00 63.22 H new ATOM 359 N ILE A 22 8.371 6.931 -4.325 1.00 21.24 N ATOM 360 CA ILE A 22 8.521 6.938 -2.861 1.00 4.40 C ATOM 361 C ILE A 22 9.925 7.407 -2.431 1.00 51.45 C ATOM 362 O ILE A 22 10.065 8.311 -1.600 1.00 40.54 O ATOM 363 CB ILE A 22 8.249 5.535 -2.266 1.00 50.13 C ATOM 364 CG1 ILE A 22 6.850 5.044 -2.674 1.00 40.35 C ATOM 365 CG2 ILE A 22 8.393 5.556 -0.743 1.00 2.51 C ATOM 366 CD1 ILE A 22 6.514 3.656 -2.171 1.00 4.22 C ATOM 0 H ILE A 22 8.113 6.023 -4.712 1.00 21.24 H new ATOM 0 HA ILE A 22 7.785 7.643 -2.476 1.00 4.40 H new ATOM 0 HB ILE A 22 8.988 4.841 -2.666 1.00 50.13 H new ATOM 0 HG12 ILE A 22 6.106 5.746 -2.298 1.00 40.35 H new ATOM 0 HG13 ILE A 22 6.776 5.053 -3.761 1.00 40.35 H new ATOM 0 HG21 ILE A 22 8.198 4.560 -0.345 1.00 2.51 H new ATOM 0 HG22 ILE A 22 9.405 5.861 -0.477 1.00 2.51 H new ATOM 0 HG23 ILE A 22 7.679 6.262 -0.320 1.00 2.51 H new ATOM 0 HD11 ILE A 22 5.512 3.382 -2.500 1.00 4.22 H new ATOM 0 HD12 ILE A 22 7.234 2.941 -2.568 1.00 4.22 H new ATOM 0 HD13 ILE A 22 6.554 3.644 -1.082 1.00 4.22 H new ATOM 378 N LYS A 23 10.966 6.796 -3.001 1.00 3.41 N ATOM 379 CA LYS A 23 12.349 7.185 -2.690 1.00 51.34 C ATOM 380 C LYS A 23 12.624 8.631 -3.140 1.00 43.33 C ATOM 381 O LYS A 23 13.373 9.369 -2.494 1.00 41.12 O ATOM 382 CB LYS A 23 13.351 6.227 -3.354 1.00 52.52 C ATOM 383 CG LYS A 23 13.339 6.265 -4.881 1.00 1.22 C ATOM 384 CD LYS A 23 14.347 5.294 -5.495 1.00 51.34 C ATOM 385 CE LYS A 23 15.786 5.647 -5.123 1.00 62.41 C ATOM 386 NZ LYS A 23 16.153 7.029 -5.536 1.00 60.51 N ATOM 0 H LYS A 23 10.882 6.035 -3.676 1.00 3.41 H new ATOM 0 HA LYS A 23 12.476 7.125 -1.609 1.00 51.34 H new ATOM 0 HB2 LYS A 23 14.354 6.469 -3.004 1.00 52.52 H new ATOM 0 HB3 LYS A 23 13.136 5.210 -3.026 1.00 52.52 H new ATOM 0 HG2 LYS A 23 12.339 6.022 -5.240 1.00 1.22 H new ATOM 0 HG3 LYS A 23 13.561 7.277 -5.218 1.00 1.22 H new ATOM 0 HD2 LYS A 23 14.124 4.281 -5.159 1.00 51.34 H new ATOM 0 HD3 LYS A 23 14.242 5.301 -6.580 1.00 51.34 H new ATOM 0 HE2 LYS A 23 15.916 5.546 -4.046 1.00 62.41 H new ATOM 0 HE3 LYS A 23 16.465 4.937 -5.594 1.00 62.41 H new ATOM 0 HZ1 LYS A 23 17.180 7.160 -5.435 1.00 60.51 H new ATOM 0 HZ2 LYS A 23 15.881 7.179 -6.529 1.00 60.51 H new ATOM 0 HZ3 LYS A 23 15.655 7.715 -4.933 1.00 60.51 H new ATOM 400 N LYS A 24 12.003 9.025 -4.248 1.00 74.12 N ATOM 401 CA LYS A 24 12.111 10.392 -4.776 1.00 12.20 C ATOM 402 C LYS A 24 11.482 11.411 -3.810 1.00 42.22 C ATOM 403 O LYS A 24 11.924 12.559 -3.724 1.00 71.03 O ATOM 404 CB LYS A 24 11.431 10.457 -6.149 1.00 50.23 C ATOM 405 CG LYS A 24 11.679 11.741 -6.934 1.00 43.14 C ATOM 406 CD LYS A 24 11.077 11.651 -8.337 1.00 41.43 C ATOM 407 CE LYS A 24 11.599 10.428 -9.094 1.00 64.22 C ATOM 408 NZ LYS A 24 10.995 10.296 -10.444 1.00 40.02 N ATOM 0 H LYS A 24 11.411 8.412 -4.808 1.00 74.12 H new ATOM 0 HA LYS A 24 13.165 10.649 -4.881 1.00 12.20 H new ATOM 0 HB2 LYS A 24 11.773 9.612 -6.747 1.00 50.23 H new ATOM 0 HB3 LYS A 24 10.357 10.336 -6.011 1.00 50.23 H new ATOM 0 HG2 LYS A 24 11.244 12.587 -6.401 1.00 43.14 H new ATOM 0 HG3 LYS A 24 12.751 11.926 -7.006 1.00 43.14 H new ATOM 0 HD2 LYS A 24 9.991 11.599 -8.265 1.00 41.43 H new ATOM 0 HD3 LYS A 24 11.317 12.556 -8.896 1.00 41.43 H new ATOM 0 HE2 LYS A 24 12.683 10.499 -9.189 1.00 64.22 H new ATOM 0 HE3 LYS A 24 11.388 9.529 -8.515 1.00 64.22 H new ATOM 0 HZ1 LYS A 24 10.979 9.294 -10.721 1.00 40.02 H new ATOM 0 HZ2 LYS A 24 10.023 10.666 -10.427 1.00 40.02 H new ATOM 0 HZ3 LYS A 24 11.559 10.836 -11.131 1.00 40.02 H new ATOM 422 N ASN A 25 10.447 10.982 -3.085 1.00 12.30 N ATOM 423 CA ASN A 25 9.836 11.807 -2.035 1.00 33.51 C ATOM 424 C ASN A 25 10.719 11.847 -0.775 1.00 70.22 C ATOM 425 O ASN A 25 10.564 12.720 0.079 1.00 0.34 O ATOM 426 CB ASN A 25 8.441 11.276 -1.678 1.00 23.24 C ATOM 427 CG ASN A 25 7.476 11.297 -2.854 1.00 20.03 C ATOM 428 OD1 ASN A 25 7.631 12.254 -3.752 1.00 74.13 O flip ATOM 429 ND2 ASN A 25 6.587 10.463 -2.953 1.00 75.32 N flip ATOM 0 H ASN A 25 10.012 10.067 -3.204 1.00 12.30 H new ATOM 0 HA ASN A 25 9.743 12.822 -2.422 1.00 33.51 H new ATOM 0 HB2 ASN A 25 8.531 10.255 -1.308 1.00 23.24 H new ATOM 0 HB3 ASN A 25 8.028 11.874 -0.866 1.00 23.24 H new ATOM 0 HD21 ASN A 25 6.490 9.735 -2.245 1.00 75.32 H new ATOM 0 HD22 ASN A 25 5.943 10.496 -3.743 1.00 75.32 H new ATOM 436 N GLY A 26 11.639 10.887 -0.661 1.00 14.24 N ATOM 437 CA GLY A 26 12.588 10.874 0.451 1.00 31.21 C ATOM 438 C GLY A 26 12.331 9.769 1.474 1.00 50.21 C ATOM 439 O GLY A 26 12.907 9.785 2.565 1.00 20.34 O ATOM 0 H GLY A 26 11.746 10.115 -1.319 1.00 14.24 H new ATOM 0 HA2 GLY A 26 13.596 10.760 0.053 1.00 31.21 H new ATOM 0 HA3 GLY A 26 12.552 11.839 0.957 1.00 31.21 H new ATOM 443 N PHE A 27 11.482 8.804 1.129 1.00 5.52 N ATOM 444 CA PHE A 27 11.146 7.698 2.039 1.00 24.51 C ATOM 445 C PHE A 27 11.808 6.380 1.601 1.00 4.42 C ATOM 446 O PHE A 27 12.261 6.248 0.463 1.00 44.12 O ATOM 447 CB PHE A 27 9.624 7.522 2.101 1.00 2.23 C ATOM 448 CG PHE A 27 8.896 8.725 2.645 1.00 22.41 C ATOM 449 CD1 PHE A 27 8.590 9.798 1.820 1.00 33.22 C ATOM 450 CD2 PHE A 27 8.520 8.785 3.980 1.00 1.11 C ATOM 451 CE1 PHE A 27 7.927 10.903 2.315 1.00 62.54 C ATOM 452 CE2 PHE A 27 7.855 9.889 4.478 1.00 71.10 C ATOM 453 CZ PHE A 27 7.557 10.948 3.644 1.00 23.33 C ATOM 0 H PHE A 27 11.010 8.761 0.226 1.00 5.52 H new ATOM 0 HA PHE A 27 11.529 7.950 3.028 1.00 24.51 H new ATOM 0 HB2 PHE A 27 9.251 7.305 1.100 1.00 2.23 H new ATOM 0 HB3 PHE A 27 9.392 6.657 2.722 1.00 2.23 H new ATOM 0 HD1 PHE A 27 8.874 9.768 0.778 1.00 33.22 H new ATOM 0 HD2 PHE A 27 8.750 7.959 4.637 1.00 1.11 H new ATOM 0 HE1 PHE A 27 7.698 11.732 1.662 1.00 62.54 H new ATOM 0 HE2 PHE A 27 7.569 9.923 5.519 1.00 71.10 H new ATOM 0 HZ PHE A 27 7.035 11.811 4.031 1.00 23.33 H new ATOM 463 N LYS A 28 11.867 5.408 2.514 1.00 34.04 N ATOM 464 CA LYS A 28 12.443 4.087 2.212 1.00 41.12 C ATOM 465 C LYS A 28 11.360 3.134 1.678 1.00 1.45 C ATOM 466 O LYS A 28 10.198 3.216 2.075 1.00 3.44 O ATOM 467 CB LYS A 28 13.101 3.460 3.457 1.00 42.43 C ATOM 468 CG LYS A 28 14.241 4.274 4.078 1.00 40.01 C ATOM 469 CD LYS A 28 13.727 5.471 4.879 1.00 31.33 C ATOM 470 CE LYS A 28 14.827 6.119 5.711 1.00 23.11 C ATOM 471 NZ LYS A 28 15.902 6.698 4.868 1.00 12.04 N ATOM 0 H LYS A 28 11.524 5.507 3.470 1.00 34.04 H new ATOM 0 HA LYS A 28 13.208 4.235 1.450 1.00 41.12 H new ATOM 0 HB2 LYS A 28 12.333 3.306 4.215 1.00 42.43 H new ATOM 0 HB3 LYS A 28 13.485 2.476 3.188 1.00 42.43 H new ATOM 0 HG2 LYS A 28 14.832 3.630 4.729 1.00 40.01 H new ATOM 0 HG3 LYS A 28 14.906 4.626 3.289 1.00 40.01 H new ATOM 0 HD2 LYS A 28 13.306 6.210 4.197 1.00 31.33 H new ATOM 0 HD3 LYS A 28 12.919 5.147 5.536 1.00 31.33 H new ATOM 0 HE2 LYS A 28 14.395 6.902 6.334 1.00 23.11 H new ATOM 0 HE3 LYS A 28 15.256 5.377 6.384 1.00 23.11 H new ATOM 0 HZ1 LYS A 28 16.627 7.127 5.477 1.00 12.04 H new ATOM 0 HZ2 LYS A 28 16.334 5.947 4.292 1.00 12.04 H new ATOM 0 HZ3 LYS A 28 15.499 7.426 4.243 1.00 12.04 H new ATOM 485 N VAL A 29 11.751 2.216 0.796 1.00 73.15 N ATOM 486 CA VAL A 29 10.802 1.284 0.173 1.00 50.42 C ATOM 487 C VAL A 29 10.947 -0.147 0.727 1.00 23.11 C ATOM 488 O VAL A 29 12.048 -0.699 0.783 1.00 73.21 O ATOM 489 CB VAL A 29 10.986 1.256 -1.364 1.00 22.22 C ATOM 490 CG1 VAL A 29 9.955 0.342 -2.025 1.00 44.23 C ATOM 491 CG2 VAL A 29 10.909 2.671 -1.940 1.00 64.30 C ATOM 0 H VAL A 29 12.718 2.095 0.494 1.00 73.15 H new ATOM 0 HA VAL A 29 9.803 1.647 0.416 1.00 50.42 H new ATOM 0 HB VAL A 29 11.975 0.852 -1.579 1.00 22.22 H new ATOM 0 HG11 VAL A 29 10.108 0.342 -3.104 1.00 44.23 H new ATOM 0 HG12 VAL A 29 10.069 -0.672 -1.642 1.00 44.23 H new ATOM 0 HG13 VAL A 29 8.951 0.704 -1.801 1.00 44.23 H new ATOM 0 HG21 VAL A 29 11.041 2.631 -3.021 1.00 64.30 H new ATOM 0 HG22 VAL A 29 9.937 3.106 -1.708 1.00 64.30 H new ATOM 0 HG23 VAL A 29 11.695 3.286 -1.501 1.00 64.30 H new ATOM 501 N ARG A 30 9.828 -0.736 1.144 1.00 44.53 N ATOM 502 CA ARG A 30 9.797 -2.135 1.598 1.00 22.25 C ATOM 503 C ARG A 30 8.771 -2.946 0.791 1.00 65.53 C ATOM 504 O ARG A 30 7.569 -2.780 0.968 1.00 30.21 O ATOM 505 CB ARG A 30 9.453 -2.199 3.095 1.00 13.43 C ATOM 506 CG ARG A 30 9.390 -3.617 3.661 1.00 71.01 C ATOM 507 CD ARG A 30 10.708 -4.371 3.486 1.00 2.31 C ATOM 508 NE ARG A 30 11.829 -3.673 4.113 1.00 61.33 N ATOM 509 CZ ARG A 30 12.659 -4.221 4.958 1.00 0.41 C ATOM 510 NH1 ARG A 30 12.510 -5.454 5.325 1.00 24.44 N ATOM 511 NH2 ARG A 30 13.641 -3.529 5.434 1.00 25.54 N ATOM 0 H ARG A 30 8.923 -0.267 1.179 1.00 44.53 H new ATOM 0 HA ARG A 30 10.785 -2.568 1.439 1.00 22.25 H new ATOM 0 HB2 ARG A 30 10.197 -1.630 3.652 1.00 13.43 H new ATOM 0 HB3 ARG A 30 8.492 -1.712 3.257 1.00 13.43 H new ATOM 0 HG2 ARG A 30 9.138 -3.572 4.720 1.00 71.01 H new ATOM 0 HG3 ARG A 30 8.590 -4.168 3.166 1.00 71.01 H new ATOM 0 HD2 ARG A 30 10.615 -5.368 3.918 1.00 2.31 H new ATOM 0 HD3 ARG A 30 10.912 -4.502 2.423 1.00 2.31 H new ATOM 0 HE ARG A 30 11.972 -2.692 3.874 1.00 61.33 H new ATOM 0 HH11 ARG A 30 11.738 -6.007 4.953 1.00 24.44 H new ATOM 0 HH12 ARG A 30 13.165 -5.872 5.986 1.00 24.44 H new ATOM 0 HH21 ARG A 30 13.766 -2.558 5.149 1.00 25.54 H new ATOM 0 HH22 ARG A 30 14.292 -3.954 6.095 1.00 25.54 H new ATOM 525 N THR A 31 9.243 -3.833 -0.082 1.00 2.20 N ATOM 526 CA THR A 31 8.347 -4.588 -0.974 1.00 2.03 C ATOM 527 C THR A 31 7.974 -5.965 -0.403 1.00 70.13 C ATOM 528 O THR A 31 8.839 -6.812 -0.175 1.00 15.51 O ATOM 529 CB THR A 31 8.979 -4.778 -2.373 1.00 22.23 C ATOM 530 OG1 THR A 31 10.212 -5.509 -2.273 1.00 62.43 O ATOM 531 CG2 THR A 31 9.239 -3.428 -3.035 1.00 52.54 C ATOM 0 H THR A 31 10.233 -4.050 -0.196 1.00 2.20 H new ATOM 0 HA THR A 31 7.438 -3.993 -1.060 1.00 2.03 H new ATOM 0 HB THR A 31 8.276 -5.343 -2.985 1.00 22.23 H new ATOM 0 HG1 THR A 31 10.200 -6.062 -1.464 1.00 62.43 H new ATOM 0 HG21 THR A 31 9.684 -3.584 -4.018 1.00 52.54 H new ATOM 0 HG22 THR A 31 8.298 -2.889 -3.144 1.00 52.54 H new ATOM 0 HG23 THR A 31 9.921 -2.845 -2.417 1.00 52.54 H new ATOM 539 N VAL A 32 6.678 -6.180 -0.184 1.00 35.23 N ATOM 540 CA VAL A 32 6.163 -7.459 0.321 1.00 71.25 C ATOM 541 C VAL A 32 5.699 -8.368 -0.831 1.00 52.32 C ATOM 542 O VAL A 32 4.990 -7.925 -1.736 1.00 63.10 O ATOM 543 CB VAL A 32 4.980 -7.228 1.297 1.00 43.45 C ATOM 544 CG1 VAL A 32 4.375 -8.552 1.765 1.00 13.51 C ATOM 545 CG2 VAL A 32 5.429 -6.386 2.487 1.00 14.45 C ATOM 0 H VAL A 32 5.956 -5.479 -0.349 1.00 35.23 H new ATOM 0 HA VAL A 32 6.979 -7.950 0.851 1.00 71.25 H new ATOM 0 HB VAL A 32 4.203 -6.684 0.760 1.00 43.45 H new ATOM 0 HG11 VAL A 32 3.549 -8.353 2.448 1.00 13.51 H new ATOM 0 HG12 VAL A 32 4.008 -9.109 0.903 1.00 13.51 H new ATOM 0 HG13 VAL A 32 5.137 -9.139 2.278 1.00 13.51 H new ATOM 0 HG21 VAL A 32 4.587 -6.233 3.163 1.00 14.45 H new ATOM 0 HG22 VAL A 32 6.230 -6.902 3.016 1.00 14.45 H new ATOM 0 HG23 VAL A 32 5.791 -5.420 2.134 1.00 14.45 H new ATOM 555 N ARG A 33 6.094 -9.641 -0.784 1.00 53.14 N ATOM 556 CA ARG A 33 5.729 -10.610 -1.829 1.00 71.30 C ATOM 557 C ARG A 33 5.040 -11.863 -1.254 1.00 60.13 C ATOM 558 O ARG A 33 4.461 -12.656 -1.997 1.00 52.14 O ATOM 559 CB ARG A 33 6.981 -11.027 -2.614 1.00 5.45 C ATOM 560 CG ARG A 33 8.101 -11.585 -1.736 1.00 65.34 C ATOM 561 CD ARG A 33 9.219 -12.204 -2.566 1.00 74.22 C ATOM 562 NE ARG A 33 8.764 -13.380 -3.307 1.00 13.21 N ATOM 563 CZ ARG A 33 9.477 -14.015 -4.198 1.00 44.35 C ATOM 564 NH1 ARG A 33 10.664 -13.605 -4.512 1.00 50.14 N ATOM 565 NH2 ARG A 33 8.999 -15.063 -4.786 1.00 22.33 N ATOM 0 H ARG A 33 6.667 -10.029 -0.035 1.00 53.14 H new ATOM 0 HA ARG A 33 5.016 -10.118 -2.491 1.00 71.30 H new ATOM 0 HB2 ARG A 33 6.702 -11.779 -3.353 1.00 5.45 H new ATOM 0 HB3 ARG A 33 7.358 -10.165 -3.164 1.00 5.45 H new ATOM 0 HG2 ARG A 33 8.509 -10.786 -1.116 1.00 65.34 H new ATOM 0 HG3 ARG A 33 7.692 -12.336 -1.060 1.00 65.34 H new ATOM 0 HD2 ARG A 33 9.605 -11.462 -3.265 1.00 74.22 H new ATOM 0 HD3 ARG A 33 10.044 -12.485 -1.911 1.00 74.22 H new ATOM 0 HE ARG A 33 7.825 -13.728 -3.115 1.00 13.21 H new ATOM 0 HH11 ARG A 33 11.053 -12.777 -4.062 1.00 50.14 H new ATOM 0 HH12 ARG A 33 11.210 -14.110 -5.210 1.00 50.14 H new ATOM 0 HH21 ARG A 33 8.063 -15.395 -4.554 1.00 22.33 H new ATOM 0 HH22 ARG A 33 9.558 -15.557 -5.482 1.00 22.33 H new ATOM 579 N SER A 34 5.107 -12.042 0.064 1.00 12.42 N ATOM 580 CA SER A 34 4.569 -13.250 0.718 1.00 51.31 C ATOM 581 C SER A 34 4.135 -12.947 2.163 1.00 70.13 C ATOM 582 O SER A 34 4.566 -11.948 2.740 1.00 3.42 O ATOM 583 CB SER A 34 5.626 -14.372 0.712 1.00 4.14 C ATOM 584 OG SER A 34 5.999 -14.724 -0.612 1.00 41.11 O ATOM 0 H SER A 34 5.527 -11.370 0.706 1.00 12.42 H new ATOM 0 HA SER A 34 3.693 -13.578 0.158 1.00 51.31 H new ATOM 0 HB2 SER A 34 6.507 -14.047 1.266 1.00 4.14 H new ATOM 0 HB3 SER A 34 5.232 -15.249 1.226 1.00 4.14 H new ATOM 0 HG SER A 34 6.671 -15.436 -0.584 1.00 41.11 H new ATOM 590 N PRO A 35 3.281 -13.804 2.776 1.00 74.23 N ATOM 591 CA PRO A 35 2.771 -13.586 4.148 1.00 30.30 C ATOM 592 C PRO A 35 3.872 -13.222 5.166 1.00 52.35 C ATOM 593 O PRO A 35 3.770 -12.212 5.866 1.00 54.04 O ATOM 594 CB PRO A 35 2.105 -14.932 4.516 1.00 55.41 C ATOM 595 CG PRO A 35 2.480 -15.883 3.420 1.00 44.22 C ATOM 596 CD PRO A 35 2.725 -15.039 2.200 1.00 71.24 C ATOM 0 HA PRO A 35 2.089 -12.736 4.180 1.00 30.30 H new ATOM 0 HB2 PRO A 35 2.456 -15.291 5.483 1.00 55.41 H new ATOM 0 HB3 PRO A 35 1.023 -14.826 4.589 1.00 55.41 H new ATOM 0 HG2 PRO A 35 3.371 -16.452 3.686 1.00 44.22 H new ATOM 0 HG3 PRO A 35 1.683 -16.605 3.241 1.00 44.22 H new ATOM 0 HD2 PRO A 35 3.422 -15.515 1.510 1.00 71.24 H new ATOM 0 HD3 PRO A 35 1.806 -14.851 1.645 1.00 71.24 H new ATOM 604 N GLN A 36 4.932 -14.035 5.230 1.00 11.53 N ATOM 605 CA GLN A 36 6.042 -13.782 6.160 1.00 42.43 C ATOM 606 C GLN A 36 6.727 -12.434 5.892 1.00 70.41 C ATOM 607 O GLN A 36 7.235 -11.808 6.809 1.00 4.50 O ATOM 608 CB GLN A 36 7.092 -14.904 6.094 1.00 22.11 C ATOM 609 CG GLN A 36 7.658 -15.158 4.698 1.00 11.10 C ATOM 610 CD GLN A 36 8.997 -15.879 4.738 1.00 41.52 C ATOM 611 OE1 GLN A 36 9.058 -17.103 4.797 1.00 52.13 O ATOM 612 NE2 GLN A 36 10.081 -15.127 4.671 1.00 22.55 N ATOM 0 H GLN A 36 5.046 -14.869 4.654 1.00 11.53 H new ATOM 0 HA GLN A 36 5.604 -13.754 7.158 1.00 42.43 H new ATOM 0 HB2 GLN A 36 7.913 -14.656 6.766 1.00 22.11 H new ATOM 0 HB3 GLN A 36 6.644 -15.826 6.464 1.00 22.11 H new ATOM 0 HG2 GLN A 36 6.946 -15.750 4.123 1.00 11.10 H new ATOM 0 HG3 GLN A 36 7.776 -14.207 4.178 1.00 11.10 H new ATOM 0 HE21 GLN A 36 9.995 -14.112 4.623 1.00 22.55 H new ATOM 0 HE22 GLN A 36 11.004 -15.562 4.667 1.00 22.55 H new ATOM 621 N GLU A 37 6.727 -11.993 4.635 1.00 1.23 N ATOM 622 CA GLU A 37 7.414 -10.752 4.247 1.00 65.52 C ATOM 623 C GLU A 37 6.799 -9.518 4.936 1.00 65.10 C ATOM 624 O GLU A 37 7.516 -8.640 5.421 1.00 15.44 O ATOM 625 CB GLU A 37 7.363 -10.581 2.722 1.00 54.21 C ATOM 626 CG GLU A 37 7.897 -11.780 1.942 1.00 34.12 C ATOM 627 CD GLU A 37 9.388 -12.009 2.134 1.00 22.11 C ATOM 628 OE1 GLU A 37 10.180 -11.448 1.350 1.00 12.11 O ATOM 629 OE2 GLU A 37 9.772 -12.759 3.060 1.00 14.12 O ATOM 0 H GLU A 37 6.261 -12.473 3.865 1.00 1.23 H new ATOM 0 HA GLU A 37 8.451 -10.831 4.573 1.00 65.52 H new ATOM 0 HB2 GLU A 37 6.331 -10.396 2.422 1.00 54.21 H new ATOM 0 HB3 GLU A 37 7.938 -9.697 2.447 1.00 54.21 H new ATOM 0 HG2 GLU A 37 7.357 -12.675 2.251 1.00 34.12 H new ATOM 0 HG3 GLU A 37 7.693 -11.634 0.881 1.00 34.12 H new ATOM 636 N LEU A 38 5.466 -9.455 4.972 1.00 54.10 N ATOM 637 CA LEU A 38 4.767 -8.349 5.642 1.00 71.23 C ATOM 638 C LEU A 38 5.044 -8.365 7.153 1.00 4.12 C ATOM 639 O LEU A 38 5.422 -7.350 7.740 1.00 53.14 O ATOM 640 CB LEU A 38 3.257 -8.433 5.380 1.00 13.55 C ATOM 641 CG LEU A 38 2.414 -7.316 6.024 1.00 51.04 C ATOM 642 CD1 LEU A 38 2.802 -5.947 5.469 1.00 51.55 C ATOM 643 CD2 LEU A 38 0.924 -7.580 5.824 1.00 43.31 C ATOM 0 H LEU A 38 4.850 -10.150 4.549 1.00 54.10 H new ATOM 0 HA LEU A 38 5.143 -7.411 5.233 1.00 71.23 H new ATOM 0 HB2 LEU A 38 3.090 -8.416 4.303 1.00 13.55 H new ATOM 0 HB3 LEU A 38 2.895 -9.395 5.744 1.00 13.55 H new ATOM 0 HG LEU A 38 2.619 -7.314 7.095 1.00 51.04 H new ATOM 0 HD11 LEU A 38 2.192 -5.177 5.941 1.00 51.55 H new ATOM 0 HD12 LEU A 38 3.854 -5.755 5.678 1.00 51.55 H new ATOM 0 HD13 LEU A 38 2.637 -5.931 4.392 1.00 51.55 H new ATOM 0 HD21 LEU A 38 0.347 -6.779 6.287 1.00 43.31 H new ATOM 0 HD22 LEU A 38 0.701 -7.618 4.758 1.00 43.31 H new ATOM 0 HD23 LEU A 38 0.658 -8.531 6.285 1.00 43.31 H new ATOM 655 N LYS A 39 4.861 -9.528 7.770 1.00 33.20 N ATOM 656 CA LYS A 39 5.165 -9.716 9.192 1.00 33.30 C ATOM 657 C LYS A 39 6.621 -9.328 9.502 1.00 63.41 C ATOM 658 O LYS A 39 6.889 -8.524 10.394 1.00 13.30 O ATOM 659 CB LYS A 39 4.906 -11.182 9.576 1.00 30.11 C ATOM 660 CG LYS A 39 5.307 -11.546 11.004 1.00 32.40 C ATOM 661 CD LYS A 39 4.978 -13.003 11.324 1.00 45.30 C ATOM 662 CE LYS A 39 5.498 -13.417 12.696 1.00 64.41 C ATOM 663 NZ LYS A 39 6.984 -13.451 12.745 1.00 75.34 N ATOM 0 H LYS A 39 4.501 -10.363 7.307 1.00 33.20 H new ATOM 0 HA LYS A 39 4.518 -9.066 9.780 1.00 33.30 H new ATOM 0 HB2 LYS A 39 3.845 -11.396 9.445 1.00 30.11 H new ATOM 0 HB3 LYS A 39 5.449 -11.826 8.885 1.00 30.11 H new ATOM 0 HG2 LYS A 39 6.375 -11.375 11.138 1.00 32.40 H new ATOM 0 HG3 LYS A 39 4.789 -10.892 11.706 1.00 32.40 H new ATOM 0 HD2 LYS A 39 3.898 -13.148 11.287 1.00 45.30 H new ATOM 0 HD3 LYS A 39 5.413 -13.649 10.561 1.00 45.30 H new ATOM 0 HE2 LYS A 39 5.127 -12.721 13.449 1.00 64.41 H new ATOM 0 HE3 LYS A 39 5.105 -14.401 12.950 1.00 64.41 H new ATOM 0 HZ1 LYS A 39 7.292 -13.927 13.617 1.00 75.34 H new ATOM 0 HZ2 LYS A 39 7.347 -13.971 11.921 1.00 75.34 H new ATOM 0 HZ3 LYS A 39 7.354 -12.479 12.732 1.00 75.34 H new ATOM 677 N ASP A 40 7.542 -9.885 8.720 1.00 42.30 N ATOM 678 CA ASP A 40 8.982 -9.663 8.885 1.00 33.34 C ATOM 679 C ASP A 40 9.348 -8.169 8.834 1.00 64.02 C ATOM 680 O ASP A 40 10.143 -7.683 9.647 1.00 3.15 O ATOM 681 CB ASP A 40 9.731 -10.428 7.788 1.00 25.43 C ATOM 682 CG ASP A 40 11.234 -10.292 7.900 1.00 41.42 C ATOM 683 OD1 ASP A 40 11.824 -10.932 8.792 1.00 12.42 O ATOM 684 OD2 ASP A 40 11.831 -9.542 7.102 1.00 24.23 O ATOM 0 H ASP A 40 7.311 -10.509 7.947 1.00 42.30 H new ATOM 0 HA ASP A 40 9.274 -10.029 9.869 1.00 33.34 H new ATOM 0 HB2 ASP A 40 9.461 -11.483 7.838 1.00 25.43 H new ATOM 0 HB3 ASP A 40 9.409 -10.063 6.813 1.00 25.43 H new ATOM 689 N SER A 41 8.766 -7.449 7.876 1.00 63.54 N ATOM 690 CA SER A 41 9.032 -6.011 7.715 1.00 20.14 C ATOM 691 C SER A 41 8.590 -5.224 8.957 1.00 43.01 C ATOM 692 O SER A 41 9.337 -4.397 9.481 1.00 63.54 O ATOM 693 CB SER A 41 8.317 -5.459 6.473 1.00 14.24 C ATOM 694 OG SER A 41 6.914 -5.382 6.666 1.00 31.53 O ATOM 0 H SER A 41 8.107 -7.833 7.198 1.00 63.54 H new ATOM 0 HA SER A 41 10.108 -5.890 7.589 1.00 20.14 H new ATOM 0 HB2 SER A 41 8.707 -4.468 6.239 1.00 14.24 H new ATOM 0 HB3 SER A 41 8.532 -6.097 5.616 1.00 14.24 H new ATOM 0 HG SER A 41 6.610 -6.166 7.169 1.00 31.53 H new ATOM 863 N ALA A 51 10.934 6.853 8.290 1.00 72.21 N ATOM 864 CA ALA A 51 10.448 7.080 6.914 1.00 34.34 C ATOM 865 C ALA A 51 10.344 5.806 6.046 1.00 62.20 C ATOM 866 O ALA A 51 10.292 5.896 4.821 1.00 24.44 O ATOM 867 CB ALA A 51 11.347 8.106 6.232 1.00 61.14 C ATOM 0 HA ALA A 51 9.426 7.447 7.007 1.00 34.34 H new ATOM 0 HB1 ALA A 51 10.995 8.279 5.215 1.00 61.14 H new ATOM 0 HB2 ALA A 51 11.320 9.042 6.790 1.00 61.14 H new ATOM 0 HB3 ALA A 51 12.370 7.731 6.203 1.00 61.14 H new ATOM 873 N THR A 52 10.295 4.631 6.661 1.00 52.34 N ATOM 874 CA THR A 52 10.151 3.378 5.905 1.00 45.10 C ATOM 875 C THR A 52 8.678 3.094 5.560 1.00 54.44 C ATOM 876 O THR A 52 7.832 2.988 6.454 1.00 73.33 O ATOM 877 CB THR A 52 10.726 2.176 6.694 1.00 42.14 C ATOM 878 OG1 THR A 52 12.072 2.463 7.105 1.00 0.21 O ATOM 879 CG2 THR A 52 10.712 0.897 5.855 1.00 53.12 C ATOM 0 H THR A 52 10.352 4.512 7.672 1.00 52.34 H new ATOM 0 HA THR A 52 10.715 3.504 4.981 1.00 45.10 H new ATOM 0 HB THR A 52 10.095 2.017 7.569 1.00 42.14 H new ATOM 0 HG1 THR A 52 12.431 1.701 7.605 1.00 0.21 H new ATOM 0 HG21 THR A 52 11.122 0.074 6.440 1.00 53.12 H new ATOM 0 HG22 THR A 52 9.687 0.662 5.567 1.00 53.12 H new ATOM 0 HG23 THR A 52 11.316 1.043 4.960 1.00 53.12 H new ATOM 887 N ILE A 53 8.380 2.982 4.262 1.00 21.45 N ATOM 888 CA ILE A 53 7.020 2.687 3.778 1.00 62.11 C ATOM 889 C ILE A 53 6.924 1.251 3.225 1.00 33.41 C ATOM 890 O ILE A 53 7.828 0.778 2.530 1.00 31.21 O ATOM 891 CB ILE A 53 6.584 3.691 2.674 1.00 50.11 C ATOM 892 CG1 ILE A 53 6.582 5.128 3.229 1.00 43.44 C ATOM 893 CG2 ILE A 53 5.208 3.323 2.109 1.00 61.12 C ATOM 894 CD1 ILE A 53 6.113 6.171 2.236 1.00 64.12 C ATOM 0 H ILE A 53 9.068 3.092 3.517 1.00 21.45 H new ATOM 0 HA ILE A 53 6.350 2.786 4.632 1.00 62.11 H new ATOM 0 HB ILE A 53 7.304 3.636 1.858 1.00 50.11 H new ATOM 0 HG12 ILE A 53 5.941 5.165 4.110 1.00 43.44 H new ATOM 0 HG13 ILE A 53 7.590 5.381 3.557 1.00 43.44 H new ATOM 0 HG21 ILE A 53 4.927 4.041 1.339 1.00 61.12 H new ATOM 0 HG22 ILE A 53 5.248 2.324 1.676 1.00 61.12 H new ATOM 0 HG23 ILE A 53 4.469 3.342 2.910 1.00 61.12 H new ATOM 0 HD11 ILE A 53 6.140 7.156 2.702 1.00 64.12 H new ATOM 0 HD12 ILE A 53 6.768 6.164 1.364 1.00 64.12 H new ATOM 0 HD13 ILE A 53 5.093 5.945 1.925 1.00 64.12 H new ATOM 906 N VAL A 54 5.822 0.561 3.533 1.00 4.54 N ATOM 907 CA VAL A 54 5.638 -0.834 3.116 1.00 31.10 C ATOM 908 C VAL A 54 4.654 -0.964 1.933 1.00 72.21 C ATOM 909 O VAL A 54 3.495 -0.549 2.003 1.00 35.12 O ATOM 910 CB VAL A 54 5.170 -1.716 4.305 1.00 4.43 C ATOM 911 CG1 VAL A 54 3.902 -1.157 4.946 1.00 11.42 C ATOM 912 CG2 VAL A 54 4.965 -3.165 3.860 1.00 64.41 C ATOM 0 H VAL A 54 5.044 0.945 4.069 1.00 4.54 H new ATOM 0 HA VAL A 54 6.610 -1.191 2.777 1.00 31.10 H new ATOM 0 HB VAL A 54 5.956 -1.700 5.060 1.00 4.43 H new ATOM 0 HG11 VAL A 54 3.601 -1.797 5.775 1.00 11.42 H new ATOM 0 HG12 VAL A 54 4.095 -0.150 5.317 1.00 11.42 H new ATOM 0 HG13 VAL A 54 3.104 -1.124 4.205 1.00 11.42 H new ATOM 0 HG21 VAL A 54 4.637 -3.764 4.710 1.00 64.41 H new ATOM 0 HG22 VAL A 54 4.208 -3.201 3.077 1.00 64.41 H new ATOM 0 HG23 VAL A 54 5.904 -3.564 3.476 1.00 64.41 H new ATOM 922 N VAL A 55 5.143 -1.545 0.840 1.00 51.42 N ATOM 923 CA VAL A 55 4.354 -1.752 -0.380 1.00 44.42 C ATOM 924 C VAL A 55 4.127 -3.254 -0.647 1.00 60.32 C ATOM 925 O VAL A 55 5.076 -4.002 -0.882 1.00 14.01 O ATOM 926 CB VAL A 55 5.062 -1.116 -1.605 1.00 71.20 C ATOM 927 CG1 VAL A 55 4.232 -1.290 -2.876 1.00 73.10 C ATOM 928 CG2 VAL A 55 5.369 0.360 -1.349 1.00 1.14 C ATOM 0 H VAL A 55 6.101 -1.888 0.772 1.00 51.42 H new ATOM 0 HA VAL A 55 3.388 -1.270 -0.230 1.00 44.42 H new ATOM 0 HB VAL A 55 6.007 -1.638 -1.753 1.00 71.20 H new ATOM 0 HG11 VAL A 55 4.754 -0.834 -3.717 1.00 73.10 H new ATOM 0 HG12 VAL A 55 4.086 -2.352 -3.072 1.00 73.10 H new ATOM 0 HG13 VAL A 55 3.263 -0.808 -2.747 1.00 73.10 H new ATOM 0 HG21 VAL A 55 5.865 0.785 -2.221 1.00 1.14 H new ATOM 0 HG22 VAL A 55 4.440 0.898 -1.162 1.00 1.14 H new ATOM 0 HG23 VAL A 55 6.021 0.451 -0.480 1.00 1.14 H new ATOM 938 N VAL A 56 2.868 -3.685 -0.620 1.00 54.13 N ATOM 939 CA VAL A 56 2.521 -5.102 -0.801 1.00 3.15 C ATOM 940 C VAL A 56 2.104 -5.409 -2.252 1.00 23.32 C ATOM 941 O VAL A 56 1.083 -4.914 -2.735 1.00 34.13 O ATOM 942 CB VAL A 56 1.375 -5.520 0.157 1.00 71.02 C ATOM 943 CG1 VAL A 56 1.064 -7.011 0.022 1.00 41.14 C ATOM 944 CG2 VAL A 56 1.721 -5.165 1.604 1.00 40.34 C ATOM 0 H VAL A 56 2.064 -3.074 -0.474 1.00 54.13 H new ATOM 0 HA VAL A 56 3.418 -5.676 -0.568 1.00 3.15 H new ATOM 0 HB VAL A 56 0.481 -4.964 -0.125 1.00 71.02 H new ATOM 0 HG11 VAL A 56 0.257 -7.278 0.705 1.00 41.14 H new ATOM 0 HG12 VAL A 56 0.760 -7.228 -1.002 1.00 41.14 H new ATOM 0 HG13 VAL A 56 1.953 -7.592 0.267 1.00 41.14 H new ATOM 0 HG21 VAL A 56 0.903 -5.467 2.258 1.00 40.34 H new ATOM 0 HG22 VAL A 56 2.632 -5.685 1.898 1.00 40.34 H new ATOM 0 HG23 VAL A 56 1.874 -4.089 1.688 1.00 40.34 H new ATOM 954 N VAL A 57 2.900 -6.228 -2.939 1.00 33.21 N ATOM 955 CA VAL A 57 2.574 -6.667 -4.303 1.00 41.21 C ATOM 956 C VAL A 57 1.688 -7.919 -4.266 1.00 60.53 C ATOM 957 O VAL A 57 2.056 -8.936 -3.669 1.00 12.31 O ATOM 958 CB VAL A 57 3.855 -6.967 -5.121 1.00 44.14 C ATOM 959 CG1 VAL A 57 3.510 -7.338 -6.565 1.00 23.34 C ATOM 960 CG2 VAL A 57 4.810 -5.776 -5.070 1.00 2.33 C ATOM 0 H VAL A 57 3.776 -6.603 -2.576 1.00 33.21 H new ATOM 0 HA VAL A 57 2.035 -5.854 -4.788 1.00 41.21 H new ATOM 0 HB VAL A 57 4.356 -7.825 -4.672 1.00 44.14 H new ATOM 0 HG11 VAL A 57 4.427 -7.544 -7.117 1.00 23.34 H new ATOM 0 HG12 VAL A 57 2.876 -8.225 -6.571 1.00 23.34 H new ATOM 0 HG13 VAL A 57 2.981 -6.510 -7.037 1.00 23.34 H new ATOM 0 HG21 VAL A 57 5.705 -6.002 -5.649 1.00 2.33 H new ATOM 0 HG22 VAL A 57 4.319 -4.898 -5.489 1.00 2.33 H new ATOM 0 HG23 VAL A 57 5.088 -5.577 -4.035 1.00 2.33 H new ATOM 970 N VAL A 58 0.524 -7.852 -4.911 1.00 31.22 N ATOM 971 CA VAL A 58 -0.471 -8.923 -4.796 1.00 23.05 C ATOM 972 C VAL A 58 -0.835 -9.566 -6.146 1.00 40.44 C ATOM 973 O VAL A 58 -0.878 -8.901 -7.181 1.00 54.44 O ATOM 974 CB VAL A 58 -1.765 -8.404 -4.113 1.00 13.23 C ATOM 975 CG1 VAL A 58 -1.469 -7.896 -2.700 1.00 43.25 C ATOM 976 CG2 VAL A 58 -2.425 -7.311 -4.951 1.00 41.21 C ATOM 0 H VAL A 58 0.246 -7.077 -5.513 1.00 31.22 H new ATOM 0 HA VAL A 58 -0.005 -9.693 -4.182 1.00 23.05 H new ATOM 0 HB VAL A 58 -2.461 -9.239 -4.036 1.00 13.23 H new ATOM 0 HG11 VAL A 58 -2.391 -7.538 -2.242 1.00 43.25 H new ATOM 0 HG12 VAL A 58 -1.057 -8.708 -2.100 1.00 43.25 H new ATOM 0 HG13 VAL A 58 -0.748 -7.080 -2.750 1.00 43.25 H new ATOM 0 HG21 VAL A 58 -3.329 -6.965 -4.450 1.00 41.21 H new ATOM 0 HG22 VAL A 58 -1.734 -6.477 -5.070 1.00 41.21 H new ATOM 0 HG23 VAL A 58 -2.684 -7.711 -5.932 1.00 41.21 H new ATOM 986 N ASP A 59 -1.077 -10.880 -6.117 1.00 33.22 N ATOM 987 CA ASP A 59 -1.609 -11.601 -7.280 1.00 20.21 C ATOM 988 C ASP A 59 -3.142 -11.705 -7.186 1.00 54.35 C ATOM 989 O ASP A 59 -3.867 -11.161 -8.017 1.00 31.12 O ATOM 990 CB ASP A 59 -0.999 -13.009 -7.371 1.00 4.00 C ATOM 991 CG ASP A 59 0.516 -12.990 -7.460 1.00 41.41 C ATOM 992 OD1 ASP A 59 1.044 -12.610 -8.523 1.00 53.33 O ATOM 993 OD2 ASP A 59 1.186 -13.362 -6.472 1.00 31.13 O ATOM 0 H ASP A 59 -0.913 -11.468 -5.300 1.00 33.22 H new ATOM 0 HA ASP A 59 -1.341 -11.044 -8.178 1.00 20.21 H new ATOM 0 HB2 ASP A 59 -1.300 -13.587 -6.497 1.00 4.00 H new ATOM 0 HB3 ASP A 59 -1.403 -13.519 -8.245 1.00 4.00 H new ATOM 998 N ASP A 60 -3.620 -12.417 -6.163 1.00 15.44 N ATOM 999 CA ASP A 60 -5.058 -12.568 -5.911 1.00 64.45 C ATOM 1000 C ASP A 60 -5.565 -11.515 -4.913 1.00 40.02 C ATOM 1001 O ASP A 60 -4.826 -11.081 -4.023 1.00 13.02 O ATOM 1002 CB ASP A 60 -5.351 -13.968 -5.358 1.00 50.52 C ATOM 1003 CG ASP A 60 -4.949 -15.067 -6.320 1.00 12.41 C ATOM 1004 OD1 ASP A 60 -3.770 -15.472 -6.307 1.00 2.43 O ATOM 1005 OD2 ASP A 60 -5.811 -15.533 -7.091 1.00 52.41 O ATOM 0 H ASP A 60 -3.028 -12.903 -5.489 1.00 15.44 H new ATOM 0 HA ASP A 60 -5.577 -12.427 -6.859 1.00 64.45 H new ATOM 0 HB2 ASP A 60 -4.819 -14.102 -4.416 1.00 50.52 H new ATOM 0 HB3 ASP A 60 -6.415 -14.053 -5.138 1.00 50.52 H new ATOM 1010 N LYS A 61 -6.833 -11.125 -5.048 1.00 61.55 N ATOM 1011 CA LYS A 61 -7.447 -10.159 -4.125 1.00 5.12 C ATOM 1012 C LYS A 61 -7.410 -10.663 -2.672 1.00 72.24 C ATOM 1013 O LYS A 61 -7.219 -9.880 -1.742 1.00 41.14 O ATOM 1014 CB LYS A 61 -8.901 -9.860 -4.528 1.00 32.10 C ATOM 1015 CG LYS A 61 -9.051 -9.224 -5.908 1.00 63.45 C ATOM 1016 CD LYS A 61 -10.503 -8.831 -6.195 1.00 63.12 C ATOM 1017 CE LYS A 61 -11.446 -10.028 -6.109 1.00 51.44 C ATOM 1018 NZ LYS A 61 -12.860 -9.648 -6.362 1.00 15.21 N ATOM 0 H LYS A 61 -7.456 -11.459 -5.783 1.00 61.55 H new ATOM 0 HA LYS A 61 -6.862 -9.241 -4.189 1.00 5.12 H new ATOM 0 HB2 LYS A 61 -9.471 -10.789 -4.505 1.00 32.10 H new ATOM 0 HB3 LYS A 61 -9.343 -9.196 -3.785 1.00 32.10 H new ATOM 0 HG2 LYS A 61 -8.415 -8.341 -5.973 1.00 63.45 H new ATOM 0 HG3 LYS A 61 -8.705 -9.922 -6.670 1.00 63.45 H new ATOM 0 HD2 LYS A 61 -10.820 -8.068 -5.484 1.00 63.12 H new ATOM 0 HD3 LYS A 61 -10.569 -8.388 -7.189 1.00 63.12 H new ATOM 0 HE2 LYS A 61 -11.139 -10.783 -6.833 1.00 51.44 H new ATOM 0 HE3 LYS A 61 -11.365 -10.482 -5.121 1.00 51.44 H new ATOM 0 HZ1 LYS A 61 -13.456 -9.986 -5.579 1.00 15.21 H new ATOM 0 HZ2 LYS A 61 -12.934 -8.613 -6.431 1.00 15.21 H new ATOM 0 HZ3 LYS A 61 -13.181 -10.079 -7.253 1.00 15.21 H new ATOM 1032 N GLU A 62 -7.590 -11.973 -2.480 1.00 22.33 N ATOM 1033 CA GLU A 62 -7.550 -12.573 -1.136 1.00 44.33 C ATOM 1034 C GLU A 62 -6.179 -12.400 -0.462 1.00 52.20 C ATOM 1035 O GLU A 62 -6.083 -12.379 0.763 1.00 43.21 O ATOM 1036 CB GLU A 62 -7.921 -14.061 -1.186 1.00 25.24 C ATOM 1037 CG GLU A 62 -9.381 -14.322 -1.539 1.00 62.14 C ATOM 1038 CD GLU A 62 -9.744 -15.795 -1.447 1.00 52.55 C ATOM 1039 OE1 GLU A 62 -9.569 -16.519 -2.450 1.00 42.35 O ATOM 1040 OE2 GLU A 62 -10.200 -16.235 -0.369 1.00 4.11 O ATOM 0 H GLU A 62 -7.764 -12.639 -3.233 1.00 22.33 H new ATOM 0 HA GLU A 62 -8.287 -12.040 -0.536 1.00 44.33 H new ATOM 0 HB2 GLU A 62 -7.286 -14.559 -1.918 1.00 25.24 H new ATOM 0 HB3 GLU A 62 -7.705 -14.512 -0.217 1.00 25.24 H new ATOM 0 HG2 GLU A 62 -10.022 -13.750 -0.868 1.00 62.14 H new ATOM 0 HG3 GLU A 62 -9.577 -13.964 -2.550 1.00 62.14 H new ATOM 1047 N TRP A 63 -5.118 -12.284 -1.258 1.00 51.25 N ATOM 1048 CA TRP A 63 -3.786 -11.988 -0.718 1.00 1.42 C ATOM 1049 C TRP A 63 -3.724 -10.528 -0.234 1.00 42.32 C ATOM 1050 O TRP A 63 -3.180 -10.238 0.832 1.00 70.35 O ATOM 1051 CB TRP A 63 -2.705 -12.299 -1.771 1.00 30.21 C ATOM 1052 CG TRP A 63 -1.321 -11.789 -1.442 1.00 1.04 C ATOM 1053 CD1 TRP A 63 -0.439 -11.250 -2.329 1.00 34.43 C ATOM 1054 CD2 TRP A 63 -0.660 -11.764 -0.161 1.00 45.20 C ATOM 1055 NE1 TRP A 63 0.713 -10.872 -1.691 1.00 44.24 N ATOM 1056 CE2 TRP A 63 0.606 -11.176 -0.361 1.00 44.55 C ATOM 1057 CE3 TRP A 63 -1.013 -12.167 1.133 1.00 13.14 C ATOM 1058 CZ2 TRP A 63 1.512 -10.986 0.676 1.00 2.01 C ATOM 1059 CZ3 TRP A 63 -0.111 -11.977 2.161 1.00 3.34 C ATOM 1060 CH2 TRP A 63 1.139 -11.389 1.927 1.00 64.51 C ATOM 0 H TRP A 63 -5.150 -12.389 -2.272 1.00 51.25 H new ATOM 0 HA TRP A 63 -3.592 -12.626 0.144 1.00 1.42 H new ATOM 0 HB2 TRP A 63 -2.654 -13.379 -1.908 1.00 30.21 H new ATOM 0 HB3 TRP A 63 -3.015 -11.871 -2.724 1.00 30.21 H new ATOM 0 HD1 TRP A 63 -0.622 -11.136 -3.387 1.00 34.43 H new ATOM 0 HE1 TRP A 63 1.520 -10.435 -2.136 1.00 44.24 H new ATOM 0 HE3 TRP A 63 -1.975 -12.619 1.324 1.00 13.14 H new ATOM 0 HZ2 TRP A 63 2.477 -10.535 0.499 1.00 2.01 H new ATOM 0 HZ3 TRP A 63 -0.373 -12.287 3.162 1.00 3.34 H new ATOM 0 HH2 TRP A 63 1.822 -11.251 2.752 1.00 64.51 H new ATOM 1071 N ALA A 64 -4.312 -9.614 -1.003 1.00 41.33 N ATOM 1072 CA ALA A 64 -4.458 -8.224 -0.558 1.00 41.32 C ATOM 1073 C ALA A 64 -5.285 -8.157 0.738 1.00 43.41 C ATOM 1074 O ALA A 64 -4.982 -7.385 1.650 1.00 21.21 O ATOM 1075 CB ALA A 64 -5.106 -7.384 -1.653 1.00 73.03 C ATOM 0 H ALA A 64 -4.693 -9.805 -1.930 1.00 41.33 H new ATOM 0 HA ALA A 64 -3.467 -7.819 -0.352 1.00 41.32 H new ATOM 0 HB1 ALA A 64 -5.208 -6.355 -1.309 1.00 73.03 H new ATOM 0 HB2 ALA A 64 -4.483 -7.408 -2.547 1.00 73.03 H new ATOM 0 HB3 ALA A 64 -6.091 -7.788 -1.887 1.00 73.03 H new ATOM 1081 N GLU A 65 -6.332 -8.980 0.802 1.00 63.14 N ATOM 1082 CA GLU A 65 -7.167 -9.108 2.002 1.00 53.34 C ATOM 1083 C GLU A 65 -6.332 -9.630 3.182 1.00 73.22 C ATOM 1084 O GLU A 65 -6.372 -9.080 4.281 1.00 22.51 O ATOM 1085 CB GLU A 65 -8.342 -10.066 1.712 1.00 51.22 C ATOM 1086 CG GLU A 65 -9.498 -10.021 2.721 1.00 10.40 C ATOM 1087 CD GLU A 65 -9.141 -10.545 4.109 1.00 3.22 C ATOM 1088 OE1 GLU A 65 -8.792 -11.735 4.237 1.00 13.44 O ATOM 1089 OE2 GLU A 65 -9.244 -9.773 5.085 1.00 34.23 O ATOM 0 H GLU A 65 -6.626 -9.576 0.028 1.00 63.14 H new ATOM 0 HA GLU A 65 -7.561 -8.128 2.269 1.00 53.34 H new ATOM 0 HB2 GLU A 65 -8.738 -9.838 0.722 1.00 51.22 H new ATOM 0 HB3 GLU A 65 -7.956 -11.085 1.674 1.00 51.22 H new ATOM 0 HG2 GLU A 65 -9.845 -8.992 2.812 1.00 10.40 H new ATOM 0 HG3 GLU A 65 -10.331 -10.605 2.328 1.00 10.40 H new ATOM 1096 N LYS A 66 -5.567 -10.691 2.928 1.00 34.45 N ATOM 1097 CA LYS A 66 -4.730 -11.325 3.953 1.00 14.22 C ATOM 1098 C LYS A 66 -3.719 -10.327 4.544 1.00 43.13 C ATOM 1099 O LYS A 66 -3.419 -10.362 5.740 1.00 51.15 O ATOM 1100 CB LYS A 66 -4.004 -12.535 3.350 1.00 20.35 C ATOM 1101 CG LYS A 66 -3.385 -13.471 4.382 1.00 1.50 C ATOM 1102 CD LYS A 66 -2.741 -14.691 3.723 1.00 2.54 C ATOM 1103 CE LYS A 66 -2.361 -15.754 4.745 1.00 74.13 C ATOM 1104 NZ LYS A 66 -3.545 -16.241 5.505 1.00 20.50 N ATOM 0 H LYS A 66 -5.508 -11.135 2.012 1.00 34.45 H new ATOM 0 HA LYS A 66 -5.373 -11.661 4.766 1.00 14.22 H new ATOM 0 HB2 LYS A 66 -4.709 -13.100 2.740 1.00 20.35 H new ATOM 0 HB3 LYS A 66 -3.219 -12.178 2.683 1.00 20.35 H new ATOM 0 HG2 LYS A 66 -2.635 -12.931 4.960 1.00 1.50 H new ATOM 0 HG3 LYS A 66 -4.153 -13.799 5.083 1.00 1.50 H new ATOM 0 HD2 LYS A 66 -3.432 -15.117 2.995 1.00 2.54 H new ATOM 0 HD3 LYS A 66 -1.852 -14.380 3.175 1.00 2.54 H new ATOM 0 HE2 LYS A 66 -1.886 -16.593 4.237 1.00 74.13 H new ATOM 0 HE3 LYS A 66 -1.627 -15.344 5.439 1.00 74.13 H new ATOM 0 HZ1 LYS A 66 -3.335 -17.173 5.916 1.00 20.50 H new ATOM 0 HZ2 LYS A 66 -3.769 -15.570 6.267 1.00 20.50 H new ATOM 0 HZ3 LYS A 66 -4.360 -16.321 4.864 1.00 20.50 H new ATOM 1118 N ALA A 67 -3.202 -9.437 3.697 1.00 4.33 N ATOM 1119 CA ALA A 67 -2.323 -8.354 4.152 1.00 0.33 C ATOM 1120 C ALA A 67 -3.046 -7.455 5.168 1.00 35.02 C ATOM 1121 O ALA A 67 -2.549 -7.210 6.271 1.00 35.22 O ATOM 1122 CB ALA A 67 -1.834 -7.536 2.961 1.00 24.40 C ATOM 0 H ALA A 67 -3.375 -9.443 2.692 1.00 4.33 H new ATOM 0 HA ALA A 67 -1.459 -8.796 4.648 1.00 0.33 H new ATOM 0 HB1 ALA A 67 -1.183 -6.736 3.312 1.00 24.40 H new ATOM 0 HB2 ALA A 67 -1.280 -8.181 2.279 1.00 24.40 H new ATOM 0 HB3 ALA A 67 -2.689 -7.106 2.440 1.00 24.40 H new ATOM 1128 N ILE A 68 -4.236 -6.982 4.793 1.00 71.02 N ATOM 1129 CA ILE A 68 -5.067 -6.164 5.687 1.00 0.32 C ATOM 1130 C ILE A 68 -5.478 -6.961 6.939 1.00 53.41 C ATOM 1131 O ILE A 68 -5.614 -6.406 8.035 1.00 34.11 O ATOM 1132 CB ILE A 68 -6.340 -5.654 4.958 1.00 72.41 C ATOM 1133 CG1 ILE A 68 -5.963 -4.916 3.660 1.00 25.33 C ATOM 1134 CG2 ILE A 68 -7.168 -4.749 5.872 1.00 61.15 C ATOM 1135 CD1 ILE A 68 -5.070 -3.709 3.870 1.00 23.24 C ATOM 0 H ILE A 68 -4.649 -7.150 3.876 1.00 71.02 H new ATOM 0 HA ILE A 68 -4.468 -5.306 5.992 1.00 0.32 H new ATOM 0 HB ILE A 68 -6.950 -6.519 4.697 1.00 72.41 H new ATOM 0 HG12 ILE A 68 -5.460 -5.614 2.991 1.00 25.33 H new ATOM 0 HG13 ILE A 68 -6.876 -4.596 3.159 1.00 25.33 H new ATOM 0 HG21 ILE A 68 -8.054 -4.405 5.338 1.00 61.15 H new ATOM 0 HG22 ILE A 68 -7.472 -5.307 6.758 1.00 61.15 H new ATOM 0 HG23 ILE A 68 -6.569 -3.889 6.172 1.00 61.15 H new ATOM 0 HD11 ILE A 68 -4.851 -3.246 2.908 1.00 23.24 H new ATOM 0 HD12 ILE A 68 -5.577 -2.989 4.512 1.00 23.24 H new ATOM 0 HD13 ILE A 68 -4.139 -4.023 4.342 1.00 23.24 H new ATOM 1147 N ARG A 69 -5.653 -8.271 6.765 1.00 62.24 N ATOM 1148 CA ARG A 69 -6.026 -9.173 7.861 1.00 13.13 C ATOM 1149 C ARG A 69 -4.956 -9.171 8.972 1.00 62.25 C ATOM 1150 O ARG A 69 -5.252 -9.439 10.136 1.00 10.54 O ATOM 1151 CB ARG A 69 -6.237 -10.595 7.310 1.00 54.22 C ATOM 1152 CG ARG A 69 -6.825 -11.587 8.311 1.00 4.51 C ATOM 1153 CD ARG A 69 -8.225 -11.178 8.764 1.00 54.51 C ATOM 1154 NE ARG A 69 -9.153 -11.022 7.642 1.00 42.40 N ATOM 1155 CZ ARG A 69 -10.454 -10.947 7.764 1.00 43.45 C ATOM 1156 NH1 ARG A 69 -11.020 -11.048 8.922 1.00 13.54 N ATOM 1157 NH2 ARG A 69 -11.186 -10.771 6.713 1.00 54.33 N ATOM 0 H ARG A 69 -5.541 -8.738 5.865 1.00 62.24 H new ATOM 0 HA ARG A 69 -6.958 -8.819 8.303 1.00 13.13 H new ATOM 0 HB2 ARG A 69 -6.896 -10.540 6.444 1.00 54.22 H new ATOM 0 HB3 ARG A 69 -5.280 -10.979 6.958 1.00 54.22 H new ATOM 0 HG2 ARG A 69 -6.865 -12.578 7.859 1.00 4.51 H new ATOM 0 HG3 ARG A 69 -6.169 -11.659 9.179 1.00 4.51 H new ATOM 0 HD2 ARG A 69 -8.615 -11.928 9.452 1.00 54.51 H new ATOM 0 HD3 ARG A 69 -8.166 -10.240 9.316 1.00 54.51 H new ATOM 0 HE ARG A 69 -8.759 -10.968 6.703 1.00 42.40 H new ATOM 0 HH11 ARG A 69 -10.451 -11.188 9.757 1.00 13.54 H new ATOM 0 HH12 ARG A 69 -12.035 -10.987 9.000 1.00 13.54 H new ATOM 0 HH21 ARG A 69 -10.749 -10.691 5.795 1.00 54.33 H new ATOM 0 HH22 ARG A 69 -12.200 -10.712 6.802 1.00 54.33 H new ATOM 1171 N PHE A 70 -3.710 -8.877 8.601 1.00 32.34 N ATOM 1172 CA PHE A 70 -2.625 -8.712 9.578 1.00 34.12 C ATOM 1173 C PHE A 70 -2.602 -7.271 10.125 1.00 2.24 C ATOM 1174 O PHE A 70 -2.456 -7.047 11.331 1.00 35.21 O ATOM 1175 CB PHE A 70 -1.274 -9.059 8.927 1.00 53.32 C ATOM 1176 CG PHE A 70 -0.121 -9.140 9.903 1.00 45.43 C ATOM 1177 CD1 PHE A 70 0.178 -10.334 10.547 1.00 24.33 C ATOM 1178 CD2 PHE A 70 0.663 -8.027 10.175 1.00 31.23 C ATOM 1179 CE1 PHE A 70 1.230 -10.414 11.440 1.00 23.42 C ATOM 1180 CE2 PHE A 70 1.717 -8.103 11.067 1.00 30.35 C ATOM 1181 CZ PHE A 70 2.001 -9.296 11.701 1.00 15.22 C ATOM 0 H PHE A 70 -3.423 -8.747 7.631 1.00 32.34 H new ATOM 0 HA PHE A 70 -2.800 -9.391 10.412 1.00 34.12 H new ATOM 0 HB2 PHE A 70 -1.367 -10.014 8.410 1.00 53.32 H new ATOM 0 HB3 PHE A 70 -1.044 -8.309 8.171 1.00 53.32 H new ATOM 0 HD1 PHE A 70 -0.419 -11.211 10.347 1.00 24.33 H new ATOM 0 HD2 PHE A 70 0.447 -7.090 9.684 1.00 31.23 H new ATOM 0 HE1 PHE A 70 1.450 -11.349 11.934 1.00 23.42 H new ATOM 0 HE2 PHE A 70 2.318 -7.229 11.268 1.00 30.35 H new ATOM 0 HZ PHE A 70 2.823 -9.356 12.399 1.00 15.22 H new ATOM 1191 N VAL A 71 -2.766 -6.299 9.223 1.00 33.24 N ATOM 1192 CA VAL A 71 -2.743 -4.867 9.573 1.00 12.21 C ATOM 1193 C VAL A 71 -3.799 -4.499 10.636 1.00 73.54 C ATOM 1194 O VAL A 71 -3.593 -3.585 11.438 1.00 53.21 O ATOM 1195 CB VAL A 71 -2.962 -3.992 8.306 1.00 33.25 C ATOM 1196 CG1 VAL A 71 -3.015 -2.503 8.652 1.00 54.10 C ATOM 1197 CG2 VAL A 71 -1.870 -4.264 7.270 1.00 43.35 C ATOM 0 H VAL A 71 -2.918 -6.477 8.230 1.00 33.24 H new ATOM 0 HA VAL A 71 -1.759 -4.668 9.998 1.00 12.21 H new ATOM 0 HB VAL A 71 -3.926 -4.266 7.878 1.00 33.25 H new ATOM 0 HG11 VAL A 71 -3.169 -1.923 7.742 1.00 54.10 H new ATOM 0 HG12 VAL A 71 -3.838 -2.319 9.343 1.00 54.10 H new ATOM 0 HG13 VAL A 71 -2.076 -2.204 9.118 1.00 54.10 H new ATOM 0 HG21 VAL A 71 -2.040 -3.643 6.391 1.00 43.35 H new ATOM 0 HG22 VAL A 71 -0.896 -4.028 7.698 1.00 43.35 H new ATOM 0 HG23 VAL A 71 -1.895 -5.315 6.982 1.00 43.35 H new ATOM 1207 N LYS A 72 -4.918 -5.224 10.652 1.00 34.13 N ATOM 1208 CA LYS A 72 -6.023 -4.942 11.588 1.00 62.13 C ATOM 1209 C LYS A 72 -5.573 -4.978 13.064 1.00 2.24 C ATOM 1210 O LYS A 72 -6.259 -4.457 13.944 1.00 63.42 O ATOM 1211 CB LYS A 72 -7.170 -5.941 11.382 1.00 12.50 C ATOM 1212 CG LYS A 72 -6.825 -7.366 11.799 1.00 4.01 C ATOM 1213 CD LYS A 72 -8.013 -8.313 11.639 1.00 31.43 C ATOM 1214 CE LYS A 72 -7.683 -9.723 12.118 1.00 74.34 C ATOM 1215 NZ LYS A 72 -7.350 -9.766 13.568 1.00 65.22 N ATOM 0 H LYS A 72 -5.090 -6.013 10.029 1.00 34.13 H new ATOM 0 HA LYS A 72 -6.366 -3.931 11.369 1.00 62.13 H new ATOM 0 HB2 LYS A 72 -8.038 -5.606 11.950 1.00 12.50 H new ATOM 0 HB3 LYS A 72 -7.457 -5.939 10.330 1.00 12.50 H new ATOM 0 HG2 LYS A 72 -5.990 -7.727 11.199 1.00 4.01 H new ATOM 0 HG3 LYS A 72 -6.496 -7.370 12.838 1.00 4.01 H new ATOM 0 HD2 LYS A 72 -8.863 -7.928 12.202 1.00 31.43 H new ATOM 0 HD3 LYS A 72 -8.313 -8.346 10.592 1.00 31.43 H new ATOM 0 HE2 LYS A 72 -8.532 -10.378 11.923 1.00 74.34 H new ATOM 0 HE3 LYS A 72 -6.842 -10.112 11.543 1.00 74.34 H new ATOM 0 HZ1 LYS A 72 -7.350 -10.753 13.895 1.00 65.22 H new ATOM 0 HZ2 LYS A 72 -6.409 -9.350 13.721 1.00 65.22 H new ATOM 0 HZ3 LYS A 72 -8.059 -9.224 14.103 1.00 65.22 H new ATOM 1229 N SER A 73 -4.427 -5.603 13.332 1.00 50.42 N ATOM 1230 CA SER A 73 -3.919 -5.739 14.708 1.00 21.21 C ATOM 1231 C SER A 73 -3.244 -4.453 15.211 1.00 53.53 C ATOM 1232 O SER A 73 -3.115 -4.249 16.416 1.00 65.34 O ATOM 1233 CB SER A 73 -2.922 -6.901 14.795 1.00 61.44 C ATOM 1234 OG SER A 73 -2.496 -7.121 16.135 1.00 41.53 O ATOM 0 H SER A 73 -3.830 -6.024 12.620 1.00 50.42 H new ATOM 0 HA SER A 73 -4.781 -5.937 15.345 1.00 21.21 H new ATOM 0 HB2 SER A 73 -3.383 -7.808 14.405 1.00 61.44 H new ATOM 0 HB3 SER A 73 -2.057 -6.688 14.167 1.00 61.44 H new ATOM 0 HG SER A 73 -1.863 -7.868 16.158 1.00 41.53 H new ATOM 1240 N LEU A 74 -2.824 -3.588 14.287 1.00 55.24 N ATOM 1241 CA LEU A 74 -2.084 -2.363 14.640 1.00 75.20 C ATOM 1242 C LEU A 74 -2.899 -1.428 15.554 1.00 61.44 C ATOM 1243 O LEU A 74 -2.353 -0.823 16.480 1.00 24.15 O ATOM 1244 CB LEU A 74 -1.665 -1.612 13.365 1.00 61.21 C ATOM 1245 CG LEU A 74 -0.723 -2.386 12.426 1.00 32.04 C ATOM 1246 CD1 LEU A 74 -0.408 -1.565 11.176 1.00 64.04 C ATOM 1247 CD2 LEU A 74 0.561 -2.781 13.154 1.00 34.14 C ATOM 0 H LEU A 74 -2.981 -3.708 13.286 1.00 55.24 H new ATOM 0 HA LEU A 74 -1.198 -2.671 15.195 1.00 75.20 H new ATOM 0 HB2 LEU A 74 -2.564 -1.342 12.810 1.00 61.21 H new ATOM 0 HB3 LEU A 74 -1.178 -0.681 13.655 1.00 61.21 H new ATOM 0 HG LEU A 74 -1.230 -3.298 12.112 1.00 32.04 H new ATOM 0 HD11 LEU A 74 0.259 -2.132 10.527 1.00 64.04 H new ATOM 0 HD12 LEU A 74 -1.333 -1.345 10.643 1.00 64.04 H new ATOM 0 HD13 LEU A 74 0.074 -0.632 11.466 1.00 64.04 H new ATOM 0 HD21 LEU A 74 1.213 -3.327 12.472 1.00 34.14 H new ATOM 0 HD22 LEU A 74 1.072 -1.884 13.504 1.00 34.14 H new ATOM 0 HD23 LEU A 74 0.316 -3.414 14.007 1.00 34.14 H new ATOM 1259 N GLY A 75 -4.200 -1.307 15.278 1.00 4.01 N ATOM 1260 CA GLY A 75 -5.076 -0.456 16.086 1.00 24.52 C ATOM 1261 C GLY A 75 -4.589 0.989 16.208 1.00 32.23 C ATOM 1262 O GLY A 75 -4.316 1.473 17.311 1.00 0.40 O ATOM 0 H GLY A 75 -4.667 -1.784 14.507 1.00 4.01 H new ATOM 0 HA2 GLY A 75 -6.074 -0.458 15.648 1.00 24.52 H new ATOM 0 HA3 GLY A 75 -5.165 -0.885 17.084 1.00 24.52 H new ATOM 1266 N ALA A 76 -4.483 1.682 15.077 1.00 21.10 N ATOM 1267 CA ALA A 76 -3.997 3.065 15.060 1.00 44.42 C ATOM 1268 C ALA A 76 -4.338 3.768 13.743 1.00 33.22 C ATOM 1269 O ALA A 76 -4.771 3.130 12.782 1.00 71.22 O ATOM 1270 CB ALA A 76 -2.489 3.094 15.290 1.00 3.00 C ATOM 0 H ALA A 76 -4.726 1.311 14.159 1.00 21.10 H new ATOM 0 HA ALA A 76 -4.498 3.602 15.865 1.00 44.42 H new ATOM 0 HB1 ALA A 76 -2.139 4.126 15.275 1.00 3.00 H new ATOM 0 HB2 ALA A 76 -2.260 2.647 16.257 1.00 3.00 H new ATOM 0 HB3 ALA A 76 -1.990 2.530 14.502 1.00 3.00 H new ATOM 1276 N GLN A 77 -4.134 5.085 13.700 1.00 52.42 N ATOM 1277 CA GLN A 77 -4.367 5.862 12.479 1.00 4.01 C ATOM 1278 C GLN A 77 -3.332 5.505 11.402 1.00 61.34 C ATOM 1279 O GLN A 77 -2.159 5.878 11.502 1.00 35.02 O ATOM 1280 CB GLN A 77 -4.311 7.370 12.775 1.00 51.44 C ATOM 1281 CG GLN A 77 -5.319 7.838 13.820 1.00 2.53 C ATOM 1282 CD GLN A 77 -5.295 9.345 14.022 1.00 10.31 C ATOM 1283 OE1 GLN A 77 -6.025 10.087 13.368 1.00 64.15 O ATOM 1284 NE2 GLN A 77 -4.451 9.811 14.919 1.00 11.04 N ATOM 0 H GLN A 77 -3.809 5.636 14.494 1.00 52.42 H new ATOM 0 HA GLN A 77 -5.361 5.613 12.108 1.00 4.01 H new ATOM 0 HB2 GLN A 77 -3.307 7.626 13.114 1.00 51.44 H new ATOM 0 HB3 GLN A 77 -4.484 7.918 11.849 1.00 51.44 H new ATOM 0 HG2 GLN A 77 -6.320 7.532 13.516 1.00 2.53 H new ATOM 0 HG3 GLN A 77 -5.109 7.345 14.769 1.00 2.53 H new ATOM 0 HE21 GLN A 77 -3.859 9.168 15.445 1.00 11.04 H new ATOM 0 HE22 GLN A 77 -4.389 10.815 15.088 1.00 11.04 H new ATOM 1293 N VAL A 78 -3.760 4.754 10.393 1.00 54.50 N ATOM 1294 CA VAL A 78 -2.876 4.359 9.293 1.00 35.42 C ATOM 1295 C VAL A 78 -3.535 4.611 7.927 1.00 54.44 C ATOM 1296 O VAL A 78 -4.723 4.341 7.736 1.00 12.35 O ATOM 1297 CB VAL A 78 -2.455 2.866 9.405 1.00 23.12 C ATOM 1298 CG1 VAL A 78 -1.706 2.609 10.712 1.00 75.51 C ATOM 1299 CG2 VAL A 78 -3.660 1.937 9.286 1.00 43.25 C ATOM 0 H VAL A 78 -4.715 4.404 10.311 1.00 54.50 H new ATOM 0 HA VAL A 78 -1.982 4.978 9.370 1.00 35.42 H new ATOM 0 HB VAL A 78 -1.783 2.650 8.574 1.00 23.12 H new ATOM 0 HG11 VAL A 78 -1.422 1.558 10.768 1.00 75.51 H new ATOM 0 HG12 VAL A 78 -0.810 3.229 10.746 1.00 75.51 H new ATOM 0 HG13 VAL A 78 -2.351 2.856 11.555 1.00 75.51 H new ATOM 0 HG21 VAL A 78 -3.330 0.901 9.368 1.00 43.25 H new ATOM 0 HG22 VAL A 78 -4.369 2.157 10.084 1.00 43.25 H new ATOM 0 HG23 VAL A 78 -4.142 2.088 8.320 1.00 43.25 H new ATOM 1309 N LEU A 79 -2.762 5.153 6.989 1.00 23.34 N ATOM 1310 CA LEU A 79 -3.252 5.416 5.632 1.00 22.11 C ATOM 1311 C LEU A 79 -2.863 4.275 4.683 1.00 34.51 C ATOM 1312 O LEU A 79 -1.704 3.859 4.633 1.00 62.45 O ATOM 1313 CB LEU A 79 -2.703 6.756 5.098 1.00 13.05 C ATOM 1314 CG LEU A 79 -3.274 8.033 5.754 1.00 2.21 C ATOM 1315 CD1 LEU A 79 -4.794 8.083 5.620 1.00 64.30 C ATOM 1316 CD2 LEU A 79 -2.854 8.144 7.220 1.00 41.02 C ATOM 0 H LEU A 79 -1.790 5.421 7.142 1.00 23.34 H new ATOM 0 HA LEU A 79 -4.339 5.479 5.677 1.00 22.11 H new ATOM 0 HB2 LEU A 79 -1.621 6.759 5.226 1.00 13.05 H new ATOM 0 HB3 LEU A 79 -2.897 6.804 4.027 1.00 13.05 H new ATOM 0 HG LEU A 79 -2.857 8.889 5.224 1.00 2.21 H new ATOM 0 HD11 LEU A 79 -5.171 8.991 6.090 1.00 64.30 H new ATOM 0 HD12 LEU A 79 -5.066 8.080 4.565 1.00 64.30 H new ATOM 0 HD13 LEU A 79 -5.231 7.213 6.110 1.00 64.30 H new ATOM 0 HD21 LEU A 79 -3.273 9.054 7.651 1.00 41.02 H new ATOM 0 HD22 LEU A 79 -3.223 7.279 7.771 1.00 41.02 H new ATOM 0 HD23 LEU A 79 -1.767 8.179 7.285 1.00 41.02 H new ATOM 1328 N ILE A 80 -3.838 3.759 3.945 1.00 61.44 N ATOM 1329 CA ILE A 80 -3.595 2.682 2.983 1.00 65.34 C ATOM 1330 C ILE A 80 -3.866 3.162 1.550 1.00 60.34 C ATOM 1331 O ILE A 80 -4.924 3.716 1.264 1.00 10.35 O ATOM 1332 CB ILE A 80 -4.476 1.445 3.299 1.00 72.54 C ATOM 1333 CG1 ILE A 80 -4.187 0.938 4.725 1.00 52.14 C ATOM 1334 CG2 ILE A 80 -4.246 0.334 2.272 1.00 12.42 C ATOM 1335 CD1 ILE A 80 -5.052 -0.231 5.158 1.00 25.31 C ATOM 0 H ILE A 80 -4.809 4.068 3.992 1.00 61.44 H new ATOM 0 HA ILE A 80 -2.547 2.394 3.067 1.00 65.34 H new ATOM 0 HB ILE A 80 -5.523 1.743 3.240 1.00 72.54 H new ATOM 0 HG12 ILE A 80 -3.140 0.643 4.788 1.00 52.14 H new ATOM 0 HG13 ILE A 80 -4.330 1.760 5.426 1.00 52.14 H new ATOM 0 HG21 ILE A 80 -4.875 -0.522 2.515 1.00 12.42 H new ATOM 0 HG22 ILE A 80 -4.500 0.700 1.277 1.00 12.42 H new ATOM 0 HG23 ILE A 80 -3.199 0.032 2.291 1.00 12.42 H new ATOM 0 HD11 ILE A 80 -4.784 -0.526 6.173 1.00 25.31 H new ATOM 0 HD12 ILE A 80 -6.101 0.063 5.130 1.00 25.31 H new ATOM 0 HD13 ILE A 80 -4.893 -1.071 4.482 1.00 25.31 H new ATOM 1347 N ILE A 81 -2.901 2.966 0.657 1.00 21.14 N ATOM 1348 CA ILE A 81 -3.054 3.361 -0.747 1.00 53.31 C ATOM 1349 C ILE A 81 -3.104 2.126 -1.658 1.00 75.04 C ATOM 1350 O ILE A 81 -2.150 1.353 -1.720 1.00 70.21 O ATOM 1351 CB ILE A 81 -1.898 4.287 -1.205 1.00 52.13 C ATOM 1352 CG1 ILE A 81 -1.810 5.529 -0.299 1.00 72.14 C ATOM 1353 CG2 ILE A 81 -2.087 4.700 -2.666 1.00 24.55 C ATOM 1354 CD1 ILE A 81 -0.688 6.479 -0.668 1.00 11.21 C ATOM 0 H ILE A 81 -2.003 2.536 0.877 1.00 21.14 H new ATOM 0 HA ILE A 81 -3.993 3.908 -0.826 1.00 53.31 H new ATOM 0 HB ILE A 81 -0.962 3.735 -1.123 1.00 52.13 H new ATOM 0 HG12 ILE A 81 -2.757 6.066 -0.343 1.00 72.14 H new ATOM 0 HG13 ILE A 81 -1.674 5.205 0.733 1.00 72.14 H new ATOM 0 HG21 ILE A 81 -1.266 5.350 -2.970 1.00 24.55 H new ATOM 0 HG22 ILE A 81 -2.099 3.811 -3.297 1.00 24.55 H new ATOM 0 HG23 ILE A 81 -3.031 5.234 -2.774 1.00 24.55 H new ATOM 0 HD11 ILE A 81 -0.691 7.328 0.015 1.00 11.21 H new ATOM 0 HD12 ILE A 81 0.267 5.959 -0.596 1.00 11.21 H new ATOM 0 HD13 ILE A 81 -0.832 6.834 -1.689 1.00 11.21 H new ATOM 1366 N ILE A 82 -4.219 1.939 -2.357 1.00 20.35 N ATOM 1367 CA ILE A 82 -4.393 0.772 -3.230 1.00 71.30 C ATOM 1368 C ILE A 82 -4.312 1.158 -4.716 1.00 1.42 C ATOM 1369 O ILE A 82 -5.030 2.045 -5.182 1.00 54.23 O ATOM 1370 CB ILE A 82 -5.743 0.062 -2.955 1.00 14.41 C ATOM 1371 CG1 ILE A 82 -5.832 -0.363 -1.479 1.00 71.35 C ATOM 1372 CG2 ILE A 82 -5.910 -1.153 -3.873 1.00 63.33 C ATOM 1373 CD1 ILE A 82 -7.140 -1.033 -1.114 1.00 33.45 C ATOM 0 H ILE A 82 -5.016 2.575 -2.340 1.00 20.35 H new ATOM 0 HA ILE A 82 -3.577 0.086 -3.003 1.00 71.30 H new ATOM 0 HB ILE A 82 -6.551 0.763 -3.165 1.00 14.41 H new ATOM 0 HG12 ILE A 82 -5.011 -1.045 -1.257 1.00 71.35 H new ATOM 0 HG13 ILE A 82 -5.696 0.516 -0.849 1.00 71.35 H new ATOM 0 HG21 ILE A 82 -6.864 -1.638 -3.665 1.00 63.33 H new ATOM 0 HG22 ILE A 82 -5.887 -0.829 -4.913 1.00 63.33 H new ATOM 0 HG23 ILE A 82 -5.098 -1.858 -3.695 1.00 63.33 H new ATOM 0 HD11 ILE A 82 -7.128 -1.304 -0.058 1.00 33.45 H new ATOM 0 HD12 ILE A 82 -7.966 -0.347 -1.303 1.00 33.45 H new ATOM 0 HD13 ILE A 82 -7.269 -1.931 -1.717 1.00 33.45 H new ATOM 1385 N TYR A 83 -3.422 0.489 -5.448 1.00 32.40 N ATOM 1386 CA TYR A 83 -3.285 0.684 -6.895 1.00 73.33 C ATOM 1387 C TYR A 83 -3.849 -0.510 -7.678 1.00 13.11 C ATOM 1388 O TYR A 83 -3.369 -1.639 -7.544 1.00 25.35 O ATOM 1389 CB TYR A 83 -1.808 0.891 -7.278 1.00 14.14 C ATOM 1390 CG TYR A 83 -1.548 0.763 -8.774 1.00 70.41 C ATOM 1391 CD1 TYR A 83 -1.950 1.756 -9.662 1.00 61.23 C ATOM 1392 CD2 TYR A 83 -0.921 -0.368 -9.299 1.00 72.41 C ATOM 1393 CE1 TYR A 83 -1.731 1.629 -11.021 1.00 23.11 C ATOM 1394 CE2 TYR A 83 -0.702 -0.500 -10.658 1.00 52.12 C ATOM 1395 CZ TYR A 83 -1.109 0.501 -11.515 1.00 21.23 C ATOM 1396 OH TYR A 83 -0.897 0.374 -12.871 1.00 1.13 O ATOM 0 H TYR A 83 -2.778 -0.200 -5.060 1.00 32.40 H new ATOM 0 HA TYR A 83 -3.857 1.574 -7.156 1.00 73.33 H new ATOM 0 HB2 TYR A 83 -1.489 1.878 -6.944 1.00 14.14 H new ATOM 0 HB3 TYR A 83 -1.197 0.162 -6.747 1.00 14.14 H new ATOM 0 HD1 TYR A 83 -2.441 2.640 -9.283 1.00 61.23 H new ATOM 0 HD2 TYR A 83 -0.601 -1.155 -8.632 1.00 72.41 H new ATOM 0 HE1 TYR A 83 -2.046 2.412 -11.695 1.00 23.11 H new ATOM 0 HE2 TYR A 83 -0.215 -1.382 -11.046 1.00 52.12 H new ATOM 0 HH TYR A 83 -0.447 -0.477 -13.053 1.00 1.13 H new ATOM 1406 N ASP A 84 -4.856 -0.246 -8.501 1.00 60.02 N ATOM 1407 CA ASP A 84 -5.407 -1.254 -9.411 1.00 34.51 C ATOM 1408 C ASP A 84 -5.505 -0.696 -10.839 1.00 1.03 C ATOM 1409 O ASP A 84 -5.540 0.518 -11.049 1.00 3.12 O ATOM 1410 CB ASP A 84 -6.777 -1.732 -8.914 1.00 25.41 C ATOM 1411 CG ASP A 84 -7.443 -2.705 -9.874 1.00 64.40 C ATOM 1412 OD1 ASP A 84 -6.866 -3.784 -10.134 1.00 73.00 O ATOM 1413 OD2 ASP A 84 -8.525 -2.382 -10.399 1.00 20.15 O ATOM 0 H ASP A 84 -5.314 0.664 -8.560 1.00 60.02 H new ATOM 0 HA ASP A 84 -4.734 -2.111 -9.429 1.00 34.51 H new ATOM 0 HB2 ASP A 84 -6.659 -2.210 -7.942 1.00 25.41 H new ATOM 0 HB3 ASP A 84 -7.427 -0.869 -8.768 1.00 25.41 H new ATOM 1418 N GLN A 85 -5.550 -1.591 -11.815 1.00 0.44 N ATOM 1419 CA GLN A 85 -5.550 -1.206 -13.229 1.00 52.23 C ATOM 1420 C GLN A 85 -6.965 -0.880 -13.744 1.00 12.41 C ATOM 1421 O GLN A 85 -7.153 -0.579 -14.924 1.00 55.22 O ATOM 1422 CB GLN A 85 -4.907 -2.329 -14.049 1.00 13.42 C ATOM 1423 CG GLN A 85 -3.456 -2.598 -13.649 1.00 21.24 C ATOM 1424 CD GLN A 85 -2.868 -3.823 -14.323 1.00 21.23 C ATOM 1425 OE1 GLN A 85 -2.293 -3.737 -15.401 1.00 23.35 O ATOM 1426 NE2 GLN A 85 -3.000 -4.971 -13.688 1.00 75.53 N ATOM 0 H GLN A 85 -5.587 -2.598 -11.657 1.00 0.44 H new ATOM 0 HA GLN A 85 -4.968 -0.291 -13.340 1.00 52.23 H new ATOM 0 HB2 GLN A 85 -5.489 -3.242 -13.925 1.00 13.42 H new ATOM 0 HB3 GLN A 85 -4.945 -2.068 -15.107 1.00 13.42 H new ATOM 0 HG2 GLN A 85 -2.850 -1.727 -13.899 1.00 21.24 H new ATOM 0 HG3 GLN A 85 -3.401 -2.725 -12.568 1.00 21.24 H new ATOM 0 HE21 GLN A 85 -3.485 -5.005 -12.791 1.00 75.53 H new ATOM 0 HE22 GLN A 85 -2.617 -5.825 -14.093 1.00 75.53 H new ATOM 1435 N ASP A 86 -7.953 -0.935 -12.850 1.00 44.15 N ATOM 1436 CA ASP A 86 -9.330 -0.533 -13.169 1.00 65.12 C ATOM 1437 C ASP A 86 -9.835 0.522 -12.166 1.00 74.34 C ATOM 1438 O ASP A 86 -9.077 1.013 -11.330 1.00 54.21 O ATOM 1439 CB ASP A 86 -10.261 -1.754 -13.150 1.00 42.15 C ATOM 1440 CG ASP A 86 -9.876 -2.798 -14.182 1.00 15.22 C ATOM 1441 OD1 ASP A 86 -10.282 -2.658 -15.355 1.00 42.14 O ATOM 1442 OD2 ASP A 86 -9.180 -3.772 -13.828 1.00 12.23 O ATOM 0 H ASP A 86 -7.827 -1.256 -11.890 1.00 44.15 H new ATOM 0 HA ASP A 86 -9.333 -0.097 -14.168 1.00 65.12 H new ATOM 0 HB2 ASP A 86 -10.242 -2.205 -12.158 1.00 42.15 H new ATOM 0 HB3 ASP A 86 -11.285 -1.428 -13.333 1.00 42.15 H new ATOM 1447 N GLN A 87 -11.110 0.891 -12.275 1.00 30.54 N ATOM 1448 CA GLN A 87 -11.744 1.799 -11.309 1.00 60.54 C ATOM 1449 C GLN A 87 -12.707 1.033 -10.390 1.00 31.32 C ATOM 1450 O GLN A 87 -12.595 1.093 -9.164 1.00 44.32 O ATOM 1451 CB GLN A 87 -12.498 2.922 -12.037 1.00 10.24 C ATOM 1452 CG GLN A 87 -11.603 3.839 -12.866 1.00 75.24 C ATOM 1453 CD GLN A 87 -12.375 4.977 -13.512 1.00 25.43 C ATOM 1454 OE1 GLN A 87 -13.551 4.843 -13.832 1.00 73.33 O ATOM 1455 NE2 GLN A 87 -11.728 6.107 -13.702 1.00 64.24 N ATOM 0 H GLN A 87 -11.729 0.577 -13.022 1.00 30.54 H new ATOM 0 HA GLN A 87 -10.957 2.241 -10.698 1.00 60.54 H new ATOM 0 HB2 GLN A 87 -13.248 2.477 -12.691 1.00 10.24 H new ATOM 0 HB3 GLN A 87 -13.032 3.522 -11.301 1.00 10.24 H new ATOM 0 HG2 GLN A 87 -10.821 4.251 -12.229 1.00 75.24 H new ATOM 0 HG3 GLN A 87 -11.108 3.254 -13.641 1.00 75.24 H new ATOM 0 HE21 GLN A 87 -10.750 6.187 -13.425 1.00 64.24 H new ATOM 0 HE22 GLN A 87 -12.205 6.903 -14.126 1.00 64.24 H new ATOM 1464 N ASN A 88 -13.647 0.301 -10.994 1.00 14.43 N ATOM 1465 CA ASN A 88 -14.629 -0.488 -10.237 1.00 64.42 C ATOM 1466 C ASN A 88 -13.935 -1.534 -9.348 1.00 75.14 C ATOM 1467 O ASN A 88 -14.188 -1.607 -8.146 1.00 62.22 O ATOM 1468 CB ASN A 88 -15.604 -1.176 -11.201 1.00 34.31 C ATOM 1469 CG ASN A 88 -16.709 -1.940 -10.487 1.00 4.32 C ATOM 1470 OD1 ASN A 88 -17.197 -1.408 -9.385 1.00 72.01 O flip ATOM 1471 ND2 ASN A 88 -17.139 -2.995 -10.942 1.00 12.33 N flip ATOM 0 H ASN A 88 -13.751 0.237 -12.007 1.00 14.43 H new ATOM 0 HA ASN A 88 -15.184 0.190 -9.589 1.00 64.42 H new ATOM 0 HB2 ASN A 88 -16.052 -0.426 -11.853 1.00 34.31 H new ATOM 0 HB3 ASN A 88 -15.050 -1.863 -11.840 1.00 34.31 H new ATOM 0 HD21 ASN A 88 -16.740 -3.382 -11.798 1.00 12.33 H new ATOM 0 HD22 ASN A 88 -17.895 -3.486 -10.465 1.00 12.33 H new ATOM 1478 N ARG A 89 -13.063 -2.338 -9.958 1.00 71.31 N ATOM 1479 CA ARG A 89 -12.258 -3.334 -9.230 1.00 43.14 C ATOM 1480 C ARG A 89 -11.508 -2.690 -8.051 1.00 0.25 C ATOM 1481 O ARG A 89 -11.567 -3.168 -6.915 1.00 52.41 O ATOM 1482 CB ARG A 89 -11.255 -3.969 -10.202 1.00 24.11 C ATOM 1483 CG ARG A 89 -11.892 -4.843 -11.280 1.00 64.32 C ATOM 1484 CD ARG A 89 -12.018 -6.292 -10.826 1.00 51.13 C ATOM 1485 NE ARG A 89 -10.702 -6.887 -10.589 1.00 53.33 N ATOM 1486 CZ ARG A 89 -10.493 -8.158 -10.386 1.00 61.21 C ATOM 1487 NH1 ARG A 89 -11.474 -9.000 -10.356 1.00 53.43 N ATOM 1488 NH2 ARG A 89 -9.288 -8.587 -10.213 1.00 10.10 N ATOM 0 H ARG A 89 -12.892 -2.322 -10.963 1.00 71.31 H new ATOM 0 HA ARG A 89 -12.924 -4.096 -8.825 1.00 43.14 H new ATOM 0 HB2 ARG A 89 -10.683 -3.177 -10.684 1.00 24.11 H new ATOM 0 HB3 ARG A 89 -10.547 -4.572 -9.633 1.00 24.11 H new ATOM 0 HG2 ARG A 89 -12.878 -4.452 -11.530 1.00 64.32 H new ATOM 0 HG3 ARG A 89 -11.291 -4.797 -12.188 1.00 64.32 H new ATOM 0 HD2 ARG A 89 -12.612 -6.340 -9.913 1.00 51.13 H new ATOM 0 HD3 ARG A 89 -12.550 -6.868 -11.583 1.00 51.13 H new ATOM 0 HE ARG A 89 -9.893 -6.265 -10.582 1.00 53.33 H new ATOM 0 HH11 ARG A 89 -12.431 -8.674 -10.492 1.00 53.43 H new ATOM 0 HH12 ARG A 89 -11.291 -9.991 -10.196 1.00 53.43 H new ATOM 0 HH21 ARG A 89 -8.506 -7.933 -10.235 1.00 10.10 H new ATOM 0 HH22 ARG A 89 -9.118 -9.580 -10.054 1.00 10.10 H new ATOM 1502 N LEU A 90 -10.806 -1.600 -8.345 1.00 43.32 N ATOM 1503 CA LEU A 90 -10.085 -0.819 -7.337 1.00 1.32 C ATOM 1504 C LEU A 90 -10.975 -0.465 -6.131 1.00 54.24 C ATOM 1505 O LEU A 90 -10.644 -0.780 -4.984 1.00 73.20 O ATOM 1506 CB LEU A 90 -9.544 0.458 -7.998 1.00 14.32 C ATOM 1507 CG LEU A 90 -8.779 1.422 -7.082 1.00 30.34 C ATOM 1508 CD1 LEU A 90 -7.609 0.720 -6.401 1.00 71.53 C ATOM 1509 CD2 LEU A 90 -8.296 2.633 -7.878 1.00 24.22 C ATOM 0 H LEU A 90 -10.719 -1.230 -9.291 1.00 43.32 H new ATOM 0 HA LEU A 90 -9.263 -1.423 -6.953 1.00 1.32 H new ATOM 0 HB2 LEU A 90 -8.885 0.168 -8.817 1.00 14.32 H new ATOM 0 HB3 LEU A 90 -10.382 0.997 -8.439 1.00 14.32 H new ATOM 0 HG LEU A 90 -9.458 1.766 -6.302 1.00 30.34 H new ATOM 0 HD11 LEU A 90 -7.085 1.427 -5.758 1.00 71.53 H new ATOM 0 HD12 LEU A 90 -7.982 -0.109 -5.800 1.00 71.53 H new ATOM 0 HD13 LEU A 90 -6.923 0.340 -7.158 1.00 71.53 H new ATOM 0 HD21 LEU A 90 -7.754 3.310 -7.217 1.00 24.22 H new ATOM 0 HD22 LEU A 90 -7.635 2.302 -8.679 1.00 24.22 H new ATOM 0 HD23 LEU A 90 -9.153 3.152 -8.306 1.00 24.22 H new ATOM 1521 N GLU A 91 -12.108 0.180 -6.391 1.00 55.13 N ATOM 1522 CA GLU A 91 -13.009 0.615 -5.317 1.00 5.43 C ATOM 1523 C GLU A 91 -13.806 -0.554 -4.711 1.00 52.04 C ATOM 1524 O GLU A 91 -14.360 -0.433 -3.616 1.00 50.32 O ATOM 1525 CB GLU A 91 -13.959 1.710 -5.824 1.00 43.13 C ATOM 1526 CG GLU A 91 -13.233 2.963 -6.315 1.00 4.21 C ATOM 1527 CD GLU A 91 -14.169 4.135 -6.567 1.00 43.24 C ATOM 1528 OE1 GLU A 91 -14.414 4.921 -5.622 1.00 20.14 O ATOM 1529 OE2 GLU A 91 -14.656 4.286 -7.710 1.00 72.12 O ATOM 0 H GLU A 91 -12.428 0.415 -7.331 1.00 55.13 H new ATOM 0 HA GLU A 91 -12.386 1.023 -4.521 1.00 5.43 H new ATOM 0 HB2 GLU A 91 -14.565 1.308 -6.636 1.00 43.13 H new ATOM 0 HB3 GLU A 91 -14.644 1.986 -5.022 1.00 43.13 H new ATOM 0 HG2 GLU A 91 -12.485 3.255 -5.577 1.00 4.21 H new ATOM 0 HG3 GLU A 91 -12.698 2.729 -7.235 1.00 4.21 H new ATOM 1536 N GLU A 92 -13.855 -1.683 -5.419 1.00 52.53 N ATOM 1537 CA GLU A 92 -14.508 -2.897 -4.905 1.00 51.20 C ATOM 1538 C GLU A 92 -13.847 -3.361 -3.597 1.00 31.35 C ATOM 1539 O GLU A 92 -14.503 -3.494 -2.558 1.00 41.25 O ATOM 1540 CB GLU A 92 -14.429 -4.020 -5.951 1.00 50.31 C ATOM 1541 CG GLU A 92 -15.074 -5.332 -5.508 1.00 23.34 C ATOM 1542 CD GLU A 92 -14.752 -6.491 -6.441 1.00 42.23 C ATOM 1543 OE1 GLU A 92 -15.466 -6.676 -7.450 1.00 72.51 O ATOM 1544 OE2 GLU A 92 -13.782 -7.224 -6.170 1.00 3.12 O ATOM 0 H GLU A 92 -13.452 -1.786 -6.350 1.00 52.53 H new ATOM 0 HA GLU A 92 -15.553 -2.663 -4.703 1.00 51.20 H new ATOM 0 HB2 GLU A 92 -14.911 -3.682 -6.868 1.00 50.31 H new ATOM 0 HB3 GLU A 92 -13.382 -4.205 -6.191 1.00 50.31 H new ATOM 0 HG2 GLU A 92 -14.735 -5.577 -4.501 1.00 23.34 H new ATOM 0 HG3 GLU A 92 -16.155 -5.201 -5.457 1.00 23.34 H new ATOM 1551 N PHE A 93 -12.537 -3.595 -3.657 1.00 41.45 N ATOM 1552 CA PHE A 93 -11.766 -4.024 -2.486 1.00 60.32 C ATOM 1553 C PHE A 93 -11.579 -2.870 -1.482 1.00 21.12 C ATOM 1554 O PHE A 93 -11.652 -3.069 -0.267 1.00 31.11 O ATOM 1555 CB PHE A 93 -10.401 -4.575 -2.926 1.00 23.42 C ATOM 1556 CG PHE A 93 -9.543 -5.057 -1.779 1.00 12.24 C ATOM 1557 CD1 PHE A 93 -9.923 -6.161 -1.028 1.00 71.32 C ATOM 1558 CD2 PHE A 93 -8.363 -4.403 -1.451 1.00 64.32 C ATOM 1559 CE1 PHE A 93 -9.145 -6.599 0.026 1.00 3.13 C ATOM 1560 CE2 PHE A 93 -7.582 -4.840 -0.399 1.00 24.14 C ATOM 1561 CZ PHE A 93 -7.974 -5.939 0.341 1.00 13.10 C ATOM 0 H PHE A 93 -11.983 -3.495 -4.508 1.00 41.45 H new ATOM 0 HA PHE A 93 -12.326 -4.814 -1.985 1.00 60.32 H new ATOM 0 HB2 PHE A 93 -10.559 -5.399 -3.622 1.00 23.42 H new ATOM 0 HB3 PHE A 93 -9.863 -3.798 -3.469 1.00 23.42 H new ATOM 0 HD1 PHE A 93 -10.837 -6.683 -1.270 1.00 71.32 H new ATOM 0 HD2 PHE A 93 -8.052 -3.543 -2.025 1.00 64.32 H new ATOM 0 HE1 PHE A 93 -9.453 -7.458 0.604 1.00 3.13 H new ATOM 0 HE2 PHE A 93 -6.666 -4.323 -0.155 1.00 24.14 H new ATOM 0 HZ PHE A 93 -7.365 -6.281 1.165 1.00 13.10 H new ATOM 1571 N SER A 94 -11.345 -1.664 -2.002 1.00 3.14 N ATOM 1572 CA SER A 94 -11.150 -0.473 -1.155 1.00 25.55 C ATOM 1573 C SER A 94 -12.357 -0.223 -0.239 1.00 13.23 C ATOM 1574 O SER A 94 -12.196 0.209 0.903 1.00 4.40 O ATOM 1575 CB SER A 94 -10.880 0.766 -2.019 1.00 61.42 C ATOM 1576 OG SER A 94 -9.677 0.623 -2.762 1.00 72.24 O ATOM 0 H SER A 94 -11.285 -1.480 -3.004 1.00 3.14 H new ATOM 0 HA SER A 94 -10.283 -0.663 -0.523 1.00 25.55 H new ATOM 0 HB2 SER A 94 -11.715 0.926 -2.701 1.00 61.42 H new ATOM 0 HB3 SER A 94 -10.815 1.649 -1.383 1.00 61.42 H new ATOM 0 HG SER A 94 -9.861 0.135 -3.592 1.00 72.24 H new ATOM 1582 N ARG A 95 -13.564 -0.502 -0.738 1.00 25.41 N ATOM 1583 CA ARG A 95 -14.783 -0.398 0.081 1.00 25.23 C ATOM 1584 C ARG A 95 -14.650 -1.240 1.361 1.00 52.43 C ATOM 1585 O ARG A 95 -14.951 -0.772 2.461 1.00 43.01 O ATOM 1586 CB ARG A 95 -16.016 -0.833 -0.743 1.00 55.15 C ATOM 1587 CG ARG A 95 -17.366 -0.722 -0.012 1.00 33.42 C ATOM 1588 CD ARG A 95 -17.692 -1.970 0.811 1.00 35.33 C ATOM 1589 NE ARG A 95 -18.996 -1.884 1.477 1.00 2.32 N ATOM 1590 CZ ARG A 95 -19.596 -2.900 2.049 1.00 75.31 C ATOM 1591 NH1 ARG A 95 -19.068 -4.079 2.023 1.00 14.23 N ATOM 1592 NH2 ARG A 95 -20.731 -2.728 2.639 1.00 24.22 N ATOM 0 H ARG A 95 -13.727 -0.800 -1.700 1.00 25.41 H new ATOM 0 HA ARG A 95 -14.918 0.642 0.378 1.00 25.23 H new ATOM 0 HB2 ARG A 95 -16.060 -0.227 -1.648 1.00 55.15 H new ATOM 0 HB3 ARG A 95 -15.876 -1.867 -1.058 1.00 55.15 H new ATOM 0 HG2 ARG A 95 -17.349 0.148 0.645 1.00 33.42 H new ATOM 0 HG3 ARG A 95 -18.158 -0.555 -0.742 1.00 33.42 H new ATOM 0 HD2 ARG A 95 -17.678 -2.844 0.159 1.00 35.33 H new ATOM 0 HD3 ARG A 95 -16.915 -2.119 1.561 1.00 35.33 H new ATOM 0 HE ARG A 95 -19.465 -0.978 1.496 1.00 2.32 H new ATOM 0 HH11 ARG A 95 -18.175 -4.227 1.554 1.00 14.23 H new ATOM 0 HH12 ARG A 95 -19.545 -4.861 2.472 1.00 14.23 H new ATOM 0 HH21 ARG A 95 -21.160 -1.803 2.660 1.00 24.22 H new ATOM 0 HH22 ARG A 95 -21.199 -3.517 3.084 1.00 24.22 H new ATOM 1606 N GLU A 96 -14.178 -2.478 1.210 1.00 51.41 N ATOM 1607 CA GLU A 96 -13.980 -3.378 2.352 1.00 61.31 C ATOM 1608 C GLU A 96 -12.977 -2.791 3.355 1.00 24.22 C ATOM 1609 O GLU A 96 -13.253 -2.712 4.553 1.00 53.24 O ATOM 1610 CB GLU A 96 -13.497 -4.756 1.873 1.00 32.30 C ATOM 1611 CG GLU A 96 -14.494 -5.487 0.979 1.00 64.52 C ATOM 1612 CD GLU A 96 -15.860 -5.648 1.631 1.00 71.35 C ATOM 1613 OE1 GLU A 96 -15.926 -6.151 2.774 1.00 22.40 O ATOM 1614 OE2 GLU A 96 -16.873 -5.256 1.015 1.00 20.21 O ATOM 0 H GLU A 96 -13.925 -2.883 0.309 1.00 51.41 H new ATOM 0 HA GLU A 96 -14.940 -3.492 2.855 1.00 61.31 H new ATOM 0 HB2 GLU A 96 -12.560 -4.632 1.330 1.00 32.30 H new ATOM 0 HB3 GLU A 96 -13.282 -5.377 2.743 1.00 32.30 H new ATOM 0 HG2 GLU A 96 -14.605 -4.940 0.043 1.00 64.52 H new ATOM 0 HG3 GLU A 96 -14.097 -6.471 0.728 1.00 64.52 H new ATOM 1621 N VAL A 97 -11.819 -2.365 2.853 1.00 74.43 N ATOM 1622 CA VAL A 97 -10.785 -1.755 3.696 1.00 15.11 C ATOM 1623 C VAL A 97 -11.337 -0.541 4.467 1.00 2.40 C ATOM 1624 O VAL A 97 -11.145 -0.417 5.680 1.00 21.01 O ATOM 1625 CB VAL A 97 -9.558 -1.317 2.853 1.00 34.03 C ATOM 1626 CG1 VAL A 97 -8.468 -0.716 3.738 1.00 10.31 C ATOM 1627 CG2 VAL A 97 -9.013 -2.495 2.047 1.00 5.11 C ATOM 0 H VAL A 97 -11.571 -2.430 1.866 1.00 74.43 H new ATOM 0 HA VAL A 97 -10.469 -2.514 4.412 1.00 15.11 H new ATOM 0 HB VAL A 97 -9.885 -0.545 2.157 1.00 34.03 H new ATOM 0 HG11 VAL A 97 -7.621 -0.418 3.120 1.00 10.31 H new ATOM 0 HG12 VAL A 97 -8.862 0.157 4.259 1.00 10.31 H new ATOM 0 HG13 VAL A 97 -8.142 -1.457 4.468 1.00 10.31 H new ATOM 0 HG21 VAL A 97 -8.153 -2.169 1.462 1.00 5.11 H new ATOM 0 HG22 VAL A 97 -8.709 -3.291 2.727 1.00 5.11 H new ATOM 0 HG23 VAL A 97 -9.788 -2.867 1.376 1.00 5.11 H new ATOM 1637 N ARG A 98 -12.044 0.337 3.758 1.00 72.24 N ATOM 1638 CA ARG A 98 -12.644 1.526 4.369 1.00 32.02 C ATOM 1639 C ARG A 98 -13.669 1.149 5.454 1.00 24.55 C ATOM 1640 O ARG A 98 -13.727 1.774 6.514 1.00 14.35 O ATOM 1641 CB ARG A 98 -13.317 2.398 3.297 1.00 24.13 C ATOM 1642 CG ARG A 98 -13.868 3.717 3.838 1.00 72.43 C ATOM 1643 CD ARG A 98 -12.753 4.655 4.301 1.00 14.24 C ATOM 1644 NE ARG A 98 -13.257 5.733 5.155 1.00 42.10 N ATOM 1645 CZ ARG A 98 -12.836 6.968 5.124 1.00 25.45 C ATOM 1646 NH1 ARG A 98 -12.013 7.369 4.210 1.00 64.01 N ATOM 1647 NH2 ARG A 98 -13.273 7.816 5.996 1.00 4.12 N ATOM 0 H ARG A 98 -12.217 0.249 2.757 1.00 72.24 H new ATOM 0 HA ARG A 98 -11.841 2.091 4.843 1.00 32.02 H new ATOM 0 HB2 ARG A 98 -12.595 2.612 2.509 1.00 24.13 H new ATOM 0 HB3 ARG A 98 -14.130 1.834 2.840 1.00 24.13 H new ATOM 0 HG2 ARG A 98 -14.458 4.209 3.064 1.00 72.43 H new ATOM 0 HG3 ARG A 98 -14.541 3.515 4.671 1.00 72.43 H new ATOM 0 HD2 ARG A 98 -12.002 4.083 4.846 1.00 14.24 H new ATOM 0 HD3 ARG A 98 -12.257 5.085 3.431 1.00 14.24 H new ATOM 0 HE ARG A 98 -13.992 5.501 5.824 1.00 42.10 H new ATOM 0 HH11 ARG A 98 -11.683 6.716 3.499 1.00 64.01 H new ATOM 0 HH12 ARG A 98 -11.694 8.338 4.200 1.00 64.01 H new ATOM 0 HH21 ARG A 98 -13.944 7.519 6.704 1.00 4.12 H new ATOM 0 HH22 ARG A 98 -12.947 8.782 5.976 1.00 4.12 H new ATOM 1661 N ARG A 99 -14.468 0.115 5.187 1.00 14.41 N ATOM 1662 CA ARG A 99 -15.500 -0.333 6.133 1.00 74.53 C ATOM 1663 C ARG A 99 -14.903 -1.055 7.355 1.00 51.44 C ATOM 1664 O ARG A 99 -15.619 -1.374 8.309 1.00 63.24 O ATOM 1665 CB ARG A 99 -16.514 -1.239 5.419 1.00 73.31 C ATOM 1666 CG ARG A 99 -17.365 -0.523 4.364 1.00 65.12 C ATOM 1667 CD ARG A 99 -18.390 0.430 4.986 1.00 21.24 C ATOM 1668 NE ARG A 99 -17.771 1.561 5.683 1.00 22.35 N ATOM 1669 CZ ARG A 99 -18.238 2.089 6.785 1.00 33.43 C ATOM 1670 NH1 ARG A 99 -19.307 1.613 7.343 1.00 31.53 N ATOM 1671 NH2 ARG A 99 -17.628 3.088 7.335 1.00 32.12 N ATOM 0 H ARG A 99 -14.423 -0.430 4.326 1.00 14.41 H new ATOM 0 HA ARG A 99 -16.007 0.557 6.505 1.00 74.53 H new ATOM 0 HB2 ARG A 99 -15.978 -2.059 4.941 1.00 73.31 H new ATOM 0 HB3 ARG A 99 -17.176 -1.682 6.164 1.00 73.31 H new ATOM 0 HG2 ARG A 99 -16.712 0.037 3.694 1.00 65.12 H new ATOM 0 HG3 ARG A 99 -17.884 -1.264 3.757 1.00 65.12 H new ATOM 0 HD2 ARG A 99 -19.048 0.808 4.203 1.00 21.24 H new ATOM 0 HD3 ARG A 99 -19.014 -0.124 5.687 1.00 21.24 H new ATOM 0 HE ARG A 99 -16.922 1.962 5.284 1.00 22.35 H new ATOM 0 HH11 ARG A 99 -19.792 0.820 6.923 1.00 31.53 H new ATOM 0 HH12 ARG A 99 -19.663 2.032 8.202 1.00 31.53 H new ATOM 0 HH21 ARG A 99 -16.781 3.465 6.910 1.00 32.12 H new ATOM 0 HH22 ARG A 99 -17.994 3.498 8.194 1.00 32.12 H new ATOM 1685 N ARG A 100 -13.598 -1.319 7.321 1.00 52.52 N ATOM 1686 CA ARG A 100 -12.887 -1.871 8.482 1.00 23.11 C ATOM 1687 C ARG A 100 -12.306 -0.747 9.358 1.00 74.33 C ATOM 1688 O ARG A 100 -11.568 -1.005 10.307 1.00 31.13 O ATOM 1689 CB ARG A 100 -11.763 -2.813 8.026 1.00 63.43 C ATOM 1690 CG ARG A 100 -12.257 -4.026 7.242 1.00 13.14 C ATOM 1691 CD ARG A 100 -11.113 -4.952 6.836 1.00 41.12 C ATOM 1692 NE ARG A 100 -11.572 -6.039 5.975 1.00 2.12 N ATOM 1693 CZ ARG A 100 -10.874 -7.104 5.688 1.00 23.23 C ATOM 1694 NH1 ARG A 100 -9.704 -7.300 6.209 1.00 63.34 N ATOM 1695 NH2 ARG A 100 -11.357 -7.986 4.880 1.00 11.14 N ATOM 0 H ARG A 100 -13.008 -1.161 6.504 1.00 52.52 H new ATOM 0 HA ARG A 100 -13.605 -2.436 9.076 1.00 23.11 H new ATOM 0 HB2 ARG A 100 -11.061 -2.254 7.408 1.00 63.43 H new ATOM 0 HB3 ARG A 100 -11.212 -3.157 8.901 1.00 63.43 H new ATOM 0 HG2 ARG A 100 -12.974 -4.581 7.847 1.00 13.14 H new ATOM 0 HG3 ARG A 100 -12.785 -3.690 6.350 1.00 13.14 H new ATOM 0 HD2 ARG A 100 -10.347 -4.376 6.317 1.00 41.12 H new ATOM 0 HD3 ARG A 100 -10.648 -5.368 7.730 1.00 41.12 H new ATOM 0 HE ARG A 100 -12.504 -5.960 5.569 1.00 2.12 H new ATOM 0 HH11 ARG A 100 -9.313 -6.616 6.856 1.00 63.34 H new ATOM 0 HH12 ARG A 100 -9.174 -8.139 5.972 1.00 63.34 H new ATOM 0 HH21 ARG A 100 -12.280 -7.849 4.469 1.00 11.14 H new ATOM 0 HH22 ARG A 100 -10.816 -8.820 4.652 1.00 11.14 H new ATOM 1709 N GLY A 101 -12.638 0.503 9.022 1.00 54.21 N ATOM 1710 CA GLY A 101 -12.180 1.648 9.808 1.00 25.40 C ATOM 1711 C GLY A 101 -10.909 2.296 9.260 1.00 71.44 C ATOM 1712 O GLY A 101 -10.492 3.358 9.732 1.00 30.42 O ATOM 0 H GLY A 101 -13.217 0.745 8.218 1.00 54.21 H new ATOM 0 HA2 GLY A 101 -12.973 2.395 9.843 1.00 25.40 H new ATOM 0 HA3 GLY A 101 -12.001 1.326 10.834 1.00 25.40 H new ATOM 1716 N PHE A 102 -10.298 1.664 8.261 1.00 45.12 N ATOM 1717 CA PHE A 102 -9.043 2.156 7.681 1.00 44.45 C ATOM 1718 C PHE A 102 -9.295 3.116 6.511 1.00 71.21 C ATOM 1719 O PHE A 102 -9.882 2.740 5.494 1.00 4.33 O ATOM 1720 CB PHE A 102 -8.176 0.977 7.223 1.00 33.34 C ATOM 1721 CG PHE A 102 -7.754 0.072 8.354 1.00 53.40 C ATOM 1722 CD1 PHE A 102 -6.846 0.516 9.303 1.00 61.05 C ATOM 1723 CD2 PHE A 102 -8.270 -1.211 8.474 1.00 52.51 C ATOM 1724 CE1 PHE A 102 -6.457 -0.299 10.349 1.00 11.32 C ATOM 1725 CE2 PHE A 102 -7.884 -2.033 9.518 1.00 61.51 C ATOM 1726 CZ PHE A 102 -6.976 -1.575 10.456 1.00 60.02 C ATOM 0 H PHE A 102 -10.650 0.808 7.833 1.00 45.12 H new ATOM 0 HA PHE A 102 -8.515 2.712 8.455 1.00 44.45 H new ATOM 0 HB2 PHE A 102 -8.728 0.393 6.487 1.00 33.34 H new ATOM 0 HB3 PHE A 102 -7.287 1.361 6.723 1.00 33.34 H new ATOM 0 HD1 PHE A 102 -6.437 1.512 9.224 1.00 61.05 H new ATOM 0 HD2 PHE A 102 -8.980 -1.572 7.745 1.00 52.51 H new ATOM 0 HE1 PHE A 102 -5.749 0.061 11.081 1.00 11.32 H new ATOM 0 HE2 PHE A 102 -8.291 -3.030 9.600 1.00 61.51 H new ATOM 0 HZ PHE A 102 -6.673 -2.215 11.272 1.00 60.02 H new ATOM 1736 N GLU A 103 -8.845 4.358 6.662 1.00 32.40 N ATOM 1737 CA GLU A 103 -9.020 5.376 5.626 1.00 42.13 C ATOM 1738 C GLU A 103 -8.102 5.106 4.420 1.00 23.33 C ATOM 1739 O GLU A 103 -6.929 5.480 4.409 1.00 21.04 O ATOM 1740 CB GLU A 103 -8.775 6.775 6.213 1.00 42.13 C ATOM 1741 CG GLU A 103 -9.748 7.125 7.340 1.00 55.34 C ATOM 1742 CD GLU A 103 -9.530 8.513 7.923 1.00 41.43 C ATOM 1743 OE1 GLU A 103 -9.999 9.497 7.316 1.00 53.11 O ATOM 1744 OE2 GLU A 103 -8.915 8.622 9.007 1.00 62.31 O ATOM 0 H GLU A 103 -8.355 4.686 7.494 1.00 32.40 H new ATOM 0 HA GLU A 103 -10.048 5.330 5.266 1.00 42.13 H new ATOM 0 HB2 GLU A 103 -7.754 6.832 6.590 1.00 42.13 H new ATOM 0 HB3 GLU A 103 -8.863 7.517 5.420 1.00 42.13 H new ATOM 0 HG2 GLU A 103 -10.768 7.054 6.963 1.00 55.34 H new ATOM 0 HG3 GLU A 103 -9.650 6.386 8.136 1.00 55.34 H new ATOM 1751 N VAL A 104 -8.658 4.429 3.418 1.00 24.42 N ATOM 1752 CA VAL A 104 -7.911 4.032 2.219 1.00 63.24 C ATOM 1753 C VAL A 104 -8.099 5.032 1.061 1.00 1.22 C ATOM 1754 O VAL A 104 -9.161 5.638 0.911 1.00 52.33 O ATOM 1755 CB VAL A 104 -8.347 2.615 1.752 1.00 24.12 C ATOM 1756 CG1 VAL A 104 -9.847 2.571 1.457 1.00 44.23 C ATOM 1757 CG2 VAL A 104 -7.540 2.161 0.533 1.00 34.14 C ATOM 0 H VAL A 104 -9.636 4.139 3.411 1.00 24.42 H new ATOM 0 HA VAL A 104 -6.855 4.023 2.491 1.00 63.24 H new ATOM 0 HB VAL A 104 -8.142 1.921 2.567 1.00 24.12 H new ATOM 0 HG11 VAL A 104 -10.125 1.568 1.132 1.00 44.23 H new ATOM 0 HG12 VAL A 104 -10.403 2.827 2.359 1.00 44.23 H new ATOM 0 HG13 VAL A 104 -10.084 3.286 0.669 1.00 44.23 H new ATOM 0 HG21 VAL A 104 -7.867 1.167 0.230 1.00 34.14 H new ATOM 0 HG22 VAL A 104 -7.696 2.861 -0.288 1.00 34.14 H new ATOM 0 HG23 VAL A 104 -6.481 2.132 0.788 1.00 34.14 H new ATOM 1767 N ARG A 105 -7.050 5.209 0.258 1.00 42.33 N ATOM 1768 CA ARG A 105 -7.120 6.030 -0.955 1.00 5.52 C ATOM 1769 C ARG A 105 -6.986 5.170 -2.222 1.00 23.42 C ATOM 1770 O ARG A 105 -6.119 4.298 -2.311 1.00 51.41 O ATOM 1771 CB ARG A 105 -6.036 7.124 -0.945 1.00 40.31 C ATOM 1772 CG ARG A 105 -6.476 8.430 -0.288 1.00 14.32 C ATOM 1773 CD ARG A 105 -7.759 8.970 -0.919 1.00 64.42 C ATOM 1774 NE ARG A 105 -7.721 8.923 -2.382 1.00 62.54 N ATOM 1775 CZ ARG A 105 -8.782 8.865 -3.142 1.00 43.32 C ATOM 1776 NH1 ARG A 105 -9.968 8.935 -2.632 1.00 42.00 N ATOM 1777 NH2 ARG A 105 -8.654 8.755 -4.420 1.00 3.10 N ATOM 0 H ARG A 105 -6.134 4.792 0.426 1.00 42.33 H new ATOM 0 HA ARG A 105 -8.100 6.508 -0.966 1.00 5.52 H new ATOM 0 HB2 ARG A 105 -5.157 6.745 -0.423 1.00 40.31 H new ATOM 0 HB3 ARG A 105 -5.733 7.330 -1.972 1.00 40.31 H new ATOM 0 HG2 ARG A 105 -6.634 8.267 0.778 1.00 14.32 H new ATOM 0 HG3 ARG A 105 -5.683 9.171 -0.383 1.00 14.32 H new ATOM 0 HD2 ARG A 105 -8.609 8.390 -0.561 1.00 64.42 H new ATOM 0 HD3 ARG A 105 -7.916 9.999 -0.595 1.00 64.42 H new ATOM 0 HE ARG A 105 -6.808 8.936 -2.837 1.00 62.54 H new ATOM 0 HH11 ARG A 105 -10.084 9.037 -1.624 1.00 42.00 H new ATOM 0 HH12 ARG A 105 -10.787 8.888 -3.238 1.00 42.00 H new ATOM 0 HH21 ARG A 105 -7.724 8.713 -4.838 1.00 3.10 H new ATOM 0 HH22 ARG A 105 -9.482 8.710 -5.013 1.00 3.10 H new ATOM 1791 N THR A 106 -7.847 5.438 -3.199 1.00 32.40 N ATOM 1792 CA THR A 106 -7.849 4.705 -4.469 1.00 55.35 C ATOM 1793 C THR A 106 -7.071 5.463 -5.554 1.00 70.52 C ATOM 1794 O THR A 106 -7.413 6.597 -5.897 1.00 51.01 O ATOM 1795 CB THR A 106 -9.295 4.472 -4.973 1.00 11.52 C ATOM 1796 OG1 THR A 106 -9.959 5.730 -5.182 1.00 33.14 O ATOM 1797 CG2 THR A 106 -10.095 3.635 -3.980 1.00 41.33 C ATOM 0 H THR A 106 -8.561 6.164 -3.138 1.00 32.40 H new ATOM 0 HA THR A 106 -7.365 3.747 -4.280 1.00 55.35 H new ATOM 0 HB THR A 106 -9.235 3.930 -5.917 1.00 11.52 H new ATOM 0 HG1 THR A 106 -9.302 6.406 -5.451 1.00 33.14 H new ATOM 0 HG21 THR A 106 -11.106 3.487 -4.360 1.00 41.33 H new ATOM 0 HG22 THR A 106 -9.612 2.667 -3.848 1.00 41.33 H new ATOM 0 HG23 THR A 106 -10.140 4.152 -3.021 1.00 41.33 H new ATOM 1805 N VAL A 107 -6.026 4.835 -6.096 1.00 12.50 N ATOM 1806 CA VAL A 107 -5.217 5.451 -7.159 1.00 63.53 C ATOM 1807 C VAL A 107 -5.229 4.605 -8.445 1.00 2.41 C ATOM 1808 O VAL A 107 -5.098 3.381 -8.404 1.00 11.12 O ATOM 1809 CB VAL A 107 -3.755 5.688 -6.701 1.00 62.22 C ATOM 1810 CG1 VAL A 107 -3.710 6.693 -5.550 1.00 42.53 C ATOM 1811 CG2 VAL A 107 -3.082 4.375 -6.299 1.00 61.23 C ATOM 0 H VAL A 107 -5.718 3.903 -5.820 1.00 12.50 H new ATOM 0 HA VAL A 107 -5.673 6.417 -7.375 1.00 63.53 H new ATOM 0 HB VAL A 107 -3.201 6.102 -7.544 1.00 62.22 H new ATOM 0 HG11 VAL A 107 -2.676 6.847 -5.242 1.00 42.53 H new ATOM 0 HG12 VAL A 107 -4.136 7.641 -5.878 1.00 42.53 H new ATOM 0 HG13 VAL A 107 -4.286 6.308 -4.708 1.00 42.53 H new ATOM 0 HG21 VAL A 107 -2.058 4.573 -5.983 1.00 61.23 H new ATOM 0 HG22 VAL A 107 -3.634 3.920 -5.477 1.00 61.23 H new ATOM 0 HG23 VAL A 107 -3.073 3.695 -7.151 1.00 61.23 H new ATOM 1821 N THR A 108 -5.390 5.274 -9.584 1.00 20.42 N ATOM 1822 CA THR A 108 -5.526 4.598 -10.886 1.00 51.25 C ATOM 1823 C THR A 108 -4.213 4.567 -11.684 1.00 63.21 C ATOM 1824 O THR A 108 -3.811 3.524 -12.207 1.00 23.34 O ATOM 1825 CB THR A 108 -6.596 5.299 -11.752 1.00 44.33 C ATOM 1826 OG1 THR A 108 -6.253 6.684 -11.901 1.00 62.52 O ATOM 1827 CG2 THR A 108 -7.985 5.180 -11.128 1.00 72.43 C ATOM 0 H THR A 108 -5.431 6.292 -9.639 1.00 20.42 H new ATOM 0 HA THR A 108 -5.818 3.572 -10.661 1.00 51.25 H new ATOM 0 HB THR A 108 -6.621 4.811 -12.726 1.00 44.33 H new ATOM 0 HG1 THR A 108 -6.929 7.131 -12.452 1.00 62.52 H new ATOM 0 HG21 THR A 108 -8.714 5.684 -11.763 1.00 72.43 H new ATOM 0 HG22 THR A 108 -8.253 4.128 -11.034 1.00 72.43 H new ATOM 0 HG23 THR A 108 -7.982 5.643 -10.141 1.00 72.43 H new ATOM 1835 N SER A 109 -3.560 5.719 -11.813 1.00 23.10 N ATOM 1836 CA SER A 109 -2.316 5.821 -12.592 1.00 22.40 C ATOM 1837 C SER A 109 -1.140 6.299 -11.723 1.00 3.23 C ATOM 1838 O SER A 109 -1.348 6.919 -10.677 1.00 65.23 O ATOM 1839 CB SER A 109 -2.513 6.778 -13.776 1.00 61.15 C ATOM 1840 OG SER A 109 -3.571 6.349 -14.621 1.00 1.04 O ATOM 0 H SER A 109 -3.866 6.596 -11.392 1.00 23.10 H new ATOM 0 HA SER A 109 -2.075 4.825 -12.964 1.00 22.40 H new ATOM 0 HB2 SER A 109 -2.727 7.780 -13.404 1.00 61.15 H new ATOM 0 HB3 SER A 109 -1.589 6.842 -14.351 1.00 61.15 H new ATOM 0 HG SER A 109 -3.672 6.980 -15.364 1.00 1.04 H new ATOM 1846 N PRO A 110 0.115 6.016 -12.144 1.00 74.50 N ATOM 1847 CA PRO A 110 1.327 6.452 -11.418 1.00 41.24 C ATOM 1848 C PRO A 110 1.302 7.936 -11.011 1.00 51.41 C ATOM 1849 O PRO A 110 1.696 8.284 -9.900 1.00 11.21 O ATOM 1850 CB PRO A 110 2.449 6.192 -12.430 1.00 12.13 C ATOM 1851 CG PRO A 110 1.953 5.044 -13.243 1.00 72.35 C ATOM 1852 CD PRO A 110 0.459 5.225 -13.347 1.00 62.30 C ATOM 0 HA PRO A 110 1.438 5.920 -10.473 1.00 41.24 H new ATOM 0 HB2 PRO A 110 2.635 7.068 -13.051 1.00 12.13 H new ATOM 0 HB3 PRO A 110 3.387 5.950 -11.930 1.00 12.13 H new ATOM 0 HG2 PRO A 110 2.415 5.036 -14.230 1.00 72.35 H new ATOM 0 HG3 PRO A 110 2.199 4.094 -12.768 1.00 72.35 H new ATOM 0 HD2 PRO A 110 0.182 5.748 -14.262 1.00 62.30 H new ATOM 0 HD3 PRO A 110 -0.060 4.267 -13.358 1.00 62.30 H new ATOM 1860 N ASP A 111 0.842 8.804 -11.911 1.00 72.21 N ATOM 1861 CA ASP A 111 0.748 10.239 -11.618 1.00 21.34 C ATOM 1862 C ASP A 111 -0.283 10.538 -10.515 1.00 3.50 C ATOM 1863 O ASP A 111 -0.030 11.353 -9.627 1.00 35.03 O ATOM 1864 CB ASP A 111 0.411 11.016 -12.888 1.00 75.05 C ATOM 1865 CG ASP A 111 1.525 10.918 -13.912 1.00 51.31 C ATOM 1866 OD1 ASP A 111 2.509 11.679 -13.796 1.00 11.52 O ATOM 1867 OD2 ASP A 111 1.437 10.064 -14.815 1.00 71.24 O ATOM 0 H ASP A 111 0.529 8.543 -12.846 1.00 72.21 H new ATOM 0 HA ASP A 111 1.721 10.562 -11.247 1.00 21.34 H new ATOM 0 HB2 ASP A 111 -0.514 10.630 -13.317 1.00 75.05 H new ATOM 0 HB3 ASP A 111 0.235 12.063 -12.639 1.00 75.05 H new ATOM 1872 N ASP A 112 -1.440 9.879 -10.577 1.00 30.42 N ATOM 1873 CA ASP A 112 -2.461 10.009 -9.534 1.00 22.35 C ATOM 1874 C ASP A 112 -1.899 9.574 -8.170 1.00 75.33 C ATOM 1875 O ASP A 112 -2.005 10.300 -7.182 1.00 45.31 O ATOM 1876 CB ASP A 112 -3.693 9.172 -9.896 1.00 34.32 C ATOM 1877 CG ASP A 112 -4.309 9.609 -11.212 1.00 52.42 C ATOM 1878 OD1 ASP A 112 -3.893 9.100 -12.267 1.00 14.41 O ATOM 1879 OD2 ASP A 112 -5.208 10.476 -11.199 1.00 63.22 O ATOM 0 H ASP A 112 -1.695 9.249 -11.338 1.00 30.42 H new ATOM 0 HA ASP A 112 -2.756 11.056 -9.464 1.00 22.35 H new ATOM 0 HB2 ASP A 112 -3.412 8.121 -9.959 1.00 34.32 H new ATOM 0 HB3 ASP A 112 -4.435 9.257 -9.102 1.00 34.32 H new ATOM 1884 N PHE A 113 -1.290 8.390 -8.142 1.00 34.13 N ATOM 1885 CA PHE A 113 -0.608 7.876 -6.945 1.00 72.42 C ATOM 1886 C PHE A 113 0.445 8.871 -6.429 1.00 64.12 C ATOM 1887 O PHE A 113 0.459 9.228 -5.252 1.00 42.31 O ATOM 1888 CB PHE A 113 0.055 6.528 -7.275 1.00 1.41 C ATOM 1889 CG PHE A 113 1.009 6.027 -6.219 1.00 5.43 C ATOM 1890 CD1 PHE A 113 0.537 5.526 -5.016 1.00 50.54 C ATOM 1891 CD2 PHE A 113 2.383 6.055 -6.434 1.00 44.53 C ATOM 1892 CE1 PHE A 113 1.410 5.067 -4.050 1.00 42.10 C ATOM 1893 CE2 PHE A 113 3.260 5.597 -5.469 1.00 72.30 C ATOM 1894 CZ PHE A 113 2.772 5.103 -4.277 1.00 11.44 C ATOM 0 H PHE A 113 -1.253 7.759 -8.942 1.00 34.13 H new ATOM 0 HA PHE A 113 -1.349 7.739 -6.157 1.00 72.42 H new ATOM 0 HB2 PHE A 113 -0.724 5.781 -7.427 1.00 1.41 H new ATOM 0 HB3 PHE A 113 0.593 6.623 -8.218 1.00 1.41 H new ATOM 0 HD1 PHE A 113 -0.527 5.494 -4.832 1.00 50.54 H new ATOM 0 HD2 PHE A 113 2.769 6.439 -7.366 1.00 44.53 H new ATOM 0 HE1 PHE A 113 1.028 4.680 -3.117 1.00 42.10 H new ATOM 0 HE2 PHE A 113 4.325 5.626 -5.648 1.00 72.30 H new ATOM 0 HZ PHE A 113 3.455 4.744 -3.521 1.00 11.44 H new ATOM 1904 N LYS A 114 1.306 9.315 -7.335 1.00 40.31 N ATOM 1905 CA LYS A 114 2.389 10.258 -7.027 1.00 34.41 C ATOM 1906 C LYS A 114 1.869 11.552 -6.371 1.00 2.03 C ATOM 1907 O LYS A 114 2.230 11.876 -5.237 1.00 54.11 O ATOM 1908 CB LYS A 114 3.130 10.569 -8.333 1.00 52.30 C ATOM 1909 CG LYS A 114 4.206 11.647 -8.240 1.00 11.42 C ATOM 1910 CD LYS A 114 4.950 11.788 -9.570 1.00 74.34 C ATOM 1911 CE LYS A 114 3.991 12.029 -10.737 1.00 75.21 C ATOM 1912 NZ LYS A 114 4.680 11.975 -12.051 1.00 11.44 N ATOM 0 H LYS A 114 1.278 9.032 -8.315 1.00 40.31 H new ATOM 0 HA LYS A 114 3.063 9.802 -6.302 1.00 34.41 H new ATOM 0 HB2 LYS A 114 3.592 9.650 -8.695 1.00 52.30 H new ATOM 0 HB3 LYS A 114 2.398 10.875 -9.081 1.00 52.30 H new ATOM 0 HG2 LYS A 114 3.750 12.600 -7.970 1.00 11.42 H new ATOM 0 HG3 LYS A 114 4.912 11.396 -7.448 1.00 11.42 H new ATOM 0 HD2 LYS A 114 5.657 12.615 -9.505 1.00 74.34 H new ATOM 0 HD3 LYS A 114 5.531 10.885 -9.758 1.00 74.34 H new ATOM 0 HE2 LYS A 114 3.198 11.281 -10.714 1.00 75.21 H new ATOM 0 HE3 LYS A 114 3.515 13.002 -10.618 1.00 75.21 H new ATOM 0 HZ1 LYS A 114 3.992 11.737 -12.794 1.00 11.44 H new ATOM 0 HZ2 LYS A 114 5.106 12.901 -12.258 1.00 11.44 H new ATOM 0 HZ3 LYS A 114 5.425 11.250 -12.023 1.00 11.44 H new ATOM 1926 N LYS A 115 1.006 12.274 -7.084 1.00 40.21 N ATOM 1927 CA LYS A 115 0.469 13.552 -6.593 1.00 23.25 C ATOM 1928 C LYS A 115 -0.382 13.372 -5.324 1.00 22.44 C ATOM 1929 O LYS A 115 -0.368 14.223 -4.434 1.00 72.03 O ATOM 1930 CB LYS A 115 -0.353 14.235 -7.689 1.00 52.23 C ATOM 1931 CG LYS A 115 0.469 14.617 -8.915 1.00 75.41 C ATOM 1932 CD LYS A 115 -0.385 15.306 -9.973 1.00 52.04 C ATOM 1933 CE LYS A 115 -1.467 14.383 -10.523 1.00 21.04 C ATOM 1934 NZ LYS A 115 -2.321 15.071 -11.524 1.00 74.52 N ATOM 0 H LYS A 115 0.661 12.000 -8.004 1.00 40.21 H new ATOM 0 HA LYS A 115 1.317 14.184 -6.330 1.00 23.25 H new ATOM 0 HB2 LYS A 115 -1.160 13.569 -7.995 1.00 52.23 H new ATOM 0 HB3 LYS A 115 -0.817 15.132 -7.279 1.00 52.23 H new ATOM 0 HG2 LYS A 115 1.282 15.278 -8.616 1.00 75.41 H new ATOM 0 HG3 LYS A 115 0.925 13.723 -9.341 1.00 75.41 H new ATOM 0 HD2 LYS A 115 -0.850 16.193 -9.543 1.00 52.04 H new ATOM 0 HD3 LYS A 115 0.253 15.644 -10.790 1.00 52.04 H new ATOM 0 HE2 LYS A 115 -1.002 13.510 -10.981 1.00 21.04 H new ATOM 0 HE3 LYS A 115 -2.087 14.021 -9.703 1.00 21.04 H new ATOM 0 HZ1 LYS A 115 -3.045 14.412 -11.875 1.00 74.52 H new ATOM 0 HZ2 LYS A 115 -2.785 15.890 -11.081 1.00 74.52 H new ATOM 0 HZ3 LYS A 115 -1.733 15.394 -12.318 1.00 74.52 H new ATOM 1948 N SER A 116 -1.125 12.271 -5.244 1.00 12.11 N ATOM 1949 CA SER A 116 -1.917 11.970 -4.043 1.00 62.14 C ATOM 1950 C SER A 116 -1.005 11.734 -2.834 1.00 23.22 C ATOM 1951 O SER A 116 -1.205 12.321 -1.772 1.00 64.42 O ATOM 1952 CB SER A 116 -2.810 10.740 -4.263 1.00 10.01 C ATOM 1953 OG SER A 116 -3.811 10.987 -5.244 1.00 13.32 O ATOM 0 H SER A 116 -1.199 11.575 -5.986 1.00 12.11 H new ATOM 0 HA SER A 116 -2.553 12.833 -3.846 1.00 62.14 H new ATOM 0 HB2 SER A 116 -2.196 9.895 -4.574 1.00 10.01 H new ATOM 0 HB3 SER A 116 -3.283 10.461 -3.322 1.00 10.01 H new ATOM 0 HG SER A 116 -3.444 10.817 -6.136 1.00 13.32 H new ATOM 1959 N LEU A 117 0.004 10.883 -3.014 1.00 23.23 N ATOM 1960 CA LEU A 117 0.945 10.540 -1.940 1.00 53.14 C ATOM 1961 C LEU A 117 1.606 11.792 -1.349 1.00 3.33 C ATOM 1962 O LEU A 117 1.552 12.019 -0.139 1.00 60.01 O ATOM 1963 CB LEU A 117 2.023 9.575 -2.466 1.00 4.35 C ATOM 1964 CG LEU A 117 3.096 9.151 -1.442 1.00 5.21 C ATOM 1965 CD1 LEU A 117 2.464 8.428 -0.255 1.00 34.11 C ATOM 1966 CD2 LEU A 117 4.157 8.274 -2.103 1.00 31.42 C ATOM 0 H LEU A 117 0.194 10.413 -3.899 1.00 23.23 H new ATOM 0 HA LEU A 117 0.379 10.052 -1.146 1.00 53.14 H new ATOM 0 HB2 LEU A 117 1.530 8.678 -2.841 1.00 4.35 H new ATOM 0 HB3 LEU A 117 2.521 10.043 -3.315 1.00 4.35 H new ATOM 0 HG LEU A 117 3.580 10.054 -1.069 1.00 5.21 H new ATOM 0 HD11 LEU A 117 3.242 8.140 0.452 1.00 34.11 H new ATOM 0 HD12 LEU A 117 1.753 9.091 0.238 1.00 34.11 H new ATOM 0 HD13 LEU A 117 1.945 7.536 -0.606 1.00 34.11 H new ATOM 0 HD21 LEU A 117 4.904 7.986 -1.363 1.00 31.42 H new ATOM 0 HD22 LEU A 117 3.687 7.379 -2.511 1.00 31.42 H new ATOM 0 HD23 LEU A 117 4.639 8.830 -2.908 1.00 31.42 H new ATOM 1978 N GLU A 118 2.211 12.612 -2.211 1.00 51.34 N ATOM 1979 CA GLU A 118 2.904 13.832 -1.772 1.00 10.40 C ATOM 1980 C GLU A 118 1.986 14.753 -0.941 1.00 73.15 C ATOM 1981 O GLU A 118 2.438 15.431 -0.017 1.00 50.35 O ATOM 1982 CB GLU A 118 3.468 14.592 -2.984 1.00 73.43 C ATOM 1983 CG GLU A 118 4.470 13.783 -3.807 1.00 12.00 C ATOM 1984 CD GLU A 118 5.179 14.614 -4.869 1.00 53.53 C ATOM 1985 OE1 GLU A 118 6.238 15.208 -4.556 1.00 4.13 O ATOM 1986 OE2 GLU A 118 4.687 14.683 -6.016 1.00 21.24 O ATOM 0 H GLU A 118 2.237 12.456 -3.219 1.00 51.34 H new ATOM 0 HA GLU A 118 3.727 13.525 -1.127 1.00 10.40 H new ATOM 0 HB2 GLU A 118 2.642 14.894 -3.628 1.00 73.43 H new ATOM 0 HB3 GLU A 118 3.951 15.505 -2.636 1.00 73.43 H new ATOM 0 HG2 GLU A 118 5.213 13.348 -3.139 1.00 12.00 H new ATOM 0 HG3 GLU A 118 3.951 12.955 -4.289 1.00 12.00 H new ATOM 1993 N ARG A 119 0.695 14.768 -1.267 1.00 44.14 N ATOM 1994 CA ARG A 119 -0.287 15.543 -0.497 1.00 10.12 C ATOM 1995 C ARG A 119 -0.706 14.814 0.794 1.00 53.34 C ATOM 1996 O ARG A 119 -0.953 15.450 1.821 1.00 11.23 O ATOM 1997 CB ARG A 119 -1.518 15.858 -1.357 1.00 24.55 C ATOM 1998 CG ARG A 119 -1.260 16.914 -2.427 1.00 32.34 C ATOM 1999 CD ARG A 119 -2.492 17.158 -3.291 1.00 34.22 C ATOM 2000 NE ARG A 119 -2.802 16.009 -4.143 1.00 64.15 N ATOM 2001 CZ ARG A 119 -3.969 15.423 -4.193 1.00 13.02 C ATOM 2002 NH1 ARG A 119 -4.919 15.766 -3.378 1.00 52.44 N ATOM 2003 NH2 ARG A 119 -4.181 14.475 -5.045 1.00 55.45 N ATOM 0 H ARG A 119 0.301 14.255 -2.056 1.00 44.14 H new ATOM 0 HA ARG A 119 0.190 16.479 -0.207 1.00 10.12 H new ATOM 0 HB2 ARG A 119 -1.859 14.941 -1.838 1.00 24.55 H new ATOM 0 HB3 ARG A 119 -2.326 16.198 -0.709 1.00 24.55 H new ATOM 0 HG2 ARG A 119 -0.959 17.847 -1.951 1.00 32.34 H new ATOM 0 HG3 ARG A 119 -0.430 16.596 -3.059 1.00 32.34 H new ATOM 0 HD2 ARG A 119 -3.347 17.375 -2.650 1.00 34.22 H new ATOM 0 HD3 ARG A 119 -2.329 18.038 -3.914 1.00 34.22 H new ATOM 0 HE ARG A 119 -2.058 15.642 -4.737 1.00 64.15 H new ATOM 0 HH11 ARG A 119 -4.759 16.500 -2.689 1.00 52.44 H new ATOM 0 HH12 ARG A 119 -5.826 15.301 -3.427 1.00 52.44 H new ATOM 0 HH21 ARG A 119 -3.437 14.184 -5.679 1.00 55.45 H new ATOM 0 HH22 ARG A 119 -5.092 14.018 -5.083 1.00 55.45 H new ATOM 2017 N LEU A 120 -0.781 13.484 0.742 1.00 13.10 N ATOM 2018 CA LEU A 120 -1.124 12.682 1.926 1.00 40.32 C ATOM 2019 C LEU A 120 -0.033 12.785 3.002 1.00 4.24 C ATOM 2020 O LEU A 120 -0.316 12.696 4.199 1.00 71.31 O ATOM 2021 CB LEU A 120 -1.357 11.211 1.542 1.00 12.11 C ATOM 2022 CG LEU A 120 -2.590 10.952 0.658 1.00 23.30 C ATOM 2023 CD1 LEU A 120 -2.710 9.467 0.314 1.00 64.21 C ATOM 2024 CD2 LEU A 120 -3.861 11.456 1.341 1.00 33.54 C ATOM 0 H LEU A 120 -0.610 12.937 -0.102 1.00 13.10 H new ATOM 0 HA LEU A 120 -2.049 13.084 2.340 1.00 40.32 H new ATOM 0 HB2 LEU A 120 -0.473 10.844 1.021 1.00 12.11 H new ATOM 0 HB3 LEU A 120 -1.455 10.625 2.456 1.00 12.11 H new ATOM 0 HG LEU A 120 -2.463 11.505 -0.273 1.00 23.30 H new ATOM 0 HD11 LEU A 120 -3.589 9.308 -0.311 1.00 64.21 H new ATOM 0 HD12 LEU A 120 -1.819 9.145 -0.224 1.00 64.21 H new ATOM 0 HD13 LEU A 120 -2.809 8.888 1.232 1.00 64.21 H new ATOM 0 HD21 LEU A 120 -4.720 11.263 0.699 1.00 33.54 H new ATOM 0 HD22 LEU A 120 -3.994 10.938 2.291 1.00 33.54 H new ATOM 0 HD23 LEU A 120 -3.777 12.528 1.522 1.00 33.54 H new ATOM 2036 N ILE A 121 1.212 12.980 2.566 1.00 61.23 N ATOM 2037 CA ILE A 121 2.337 13.205 3.485 1.00 54.43 C ATOM 2038 C ILE A 121 2.054 14.391 4.425 1.00 74.11 C ATOM 2039 O ILE A 121 2.364 14.342 5.616 1.00 20.52 O ATOM 2040 CB ILE A 121 3.654 13.465 2.704 1.00 74.24 C ATOM 2041 CG1 ILE A 121 3.985 12.265 1.799 1.00 12.11 C ATOM 2042 CG2 ILE A 121 4.812 13.746 3.667 1.00 62.23 C ATOM 2043 CD1 ILE A 121 5.178 12.488 0.890 1.00 55.32 C ATOM 0 H ILE A 121 1.471 12.987 1.579 1.00 61.23 H new ATOM 0 HA ILE A 121 2.454 12.300 4.082 1.00 54.43 H new ATOM 0 HB ILE A 121 3.512 14.346 2.077 1.00 74.24 H new ATOM 0 HG12 ILE A 121 4.176 11.393 2.425 1.00 12.11 H new ATOM 0 HG13 ILE A 121 3.113 12.033 1.187 1.00 12.11 H new ATOM 0 HG21 ILE A 121 5.724 13.925 3.097 1.00 62.23 H new ATOM 0 HG22 ILE A 121 4.581 14.626 4.267 1.00 62.23 H new ATOM 0 HG23 ILE A 121 4.957 12.887 4.323 1.00 62.23 H new ATOM 0 HD11 ILE A 121 5.346 11.597 0.285 1.00 55.32 H new ATOM 0 HD12 ILE A 121 4.984 13.339 0.237 1.00 55.32 H new ATOM 0 HD13 ILE A 121 6.063 12.689 1.494 1.00 55.32 H new ATOM 2055 N ARG A 122 1.449 15.448 3.878 1.00 51.31 N ATOM 2056 CA ARG A 122 1.045 16.617 4.676 1.00 13.30 C ATOM 2057 C ARG A 122 0.015 16.250 5.758 1.00 24.31 C ATOM 2058 O ARG A 122 -0.069 16.907 6.793 1.00 53.12 O ATOM 2059 CB ARG A 122 0.452 17.711 3.773 1.00 70.53 C ATOM 2060 CG ARG A 122 1.473 18.482 2.940 1.00 60.01 C ATOM 2061 CD ARG A 122 2.463 19.251 3.818 1.00 53.24 C ATOM 2062 NE ARG A 122 2.944 20.475 3.174 1.00 24.53 N ATOM 2063 CZ ARG A 122 4.195 20.842 3.115 1.00 31.11 C ATOM 2064 NH1 ARG A 122 5.136 20.055 3.526 1.00 23.43 N ATOM 2065 NH2 ARG A 122 4.502 21.996 2.618 1.00 61.34 N ATOM 0 H ARG A 122 1.226 15.522 2.885 1.00 51.31 H new ATOM 0 HA ARG A 122 1.945 16.987 5.167 1.00 13.30 H new ATOM 0 HB2 ARG A 122 -0.272 17.253 3.100 1.00 70.53 H new ATOM 0 HB3 ARG A 122 -0.095 18.418 4.396 1.00 70.53 H new ATOM 0 HG2 ARG A 122 2.018 17.788 2.301 1.00 60.01 H new ATOM 0 HG3 ARG A 122 0.953 19.179 2.283 1.00 60.01 H new ATOM 0 HD2 ARG A 122 1.985 19.505 4.764 1.00 53.24 H new ATOM 0 HD3 ARG A 122 3.312 18.609 4.052 1.00 53.24 H new ATOM 0 HE ARG A 122 2.251 21.085 2.740 1.00 24.53 H new ATOM 0 HH11 ARG A 122 4.904 19.135 3.902 1.00 23.43 H new ATOM 0 HH12 ARG A 122 6.110 20.354 3.474 1.00 23.43 H new ATOM 0 HH21 ARG A 122 3.768 22.615 2.274 1.00 61.34 H new ATOM 0 HH22 ARG A 122 5.478 22.287 2.570 1.00 61.34 H new ATOM 2079 N GLU A 123 -0.777 15.211 5.507 1.00 41.23 N ATOM 2080 CA GLU A 123 -1.819 14.787 6.450 1.00 43.42 C ATOM 2081 C GLU A 123 -1.251 13.894 7.563 1.00 63.30 C ATOM 2082 O GLU A 123 -1.393 14.198 8.752 1.00 34.24 O ATOM 2083 CB GLU A 123 -2.940 14.048 5.706 1.00 41.45 C ATOM 2084 CG GLU A 123 -3.608 14.876 4.612 1.00 53.23 C ATOM 2085 CD GLU A 123 -4.115 16.219 5.115 1.00 1.44 C ATOM 2086 OE1 GLU A 123 -5.155 16.250 5.803 1.00 45.45 O ATOM 2087 OE2 GLU A 123 -3.474 17.253 4.828 1.00 21.54 O ATOM 0 H GLU A 123 -0.721 14.645 4.660 1.00 41.23 H new ATOM 0 HA GLU A 123 -2.224 15.685 6.917 1.00 43.42 H new ATOM 0 HB2 GLU A 123 -2.531 13.140 5.262 1.00 41.45 H new ATOM 0 HB3 GLU A 123 -3.697 13.737 6.426 1.00 41.45 H new ATOM 0 HG2 GLU A 123 -2.897 15.041 3.803 1.00 53.23 H new ATOM 0 HG3 GLU A 123 -4.442 14.312 4.194 1.00 53.23 H new