USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 796 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 Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 5 SER OG : rot 170:sc= 0.678 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 14 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.0089) USER MOD Single : A 15 GLN : amide:sc= -1.15 K(o=-1.2,f=-1.9) USER MOD Single : A 32 GLN : amide:sc= -0.0535 X(o=-0.053,f=-0.38) USER MOD Single : A 39 HIS : no HD1:sc= -0.0407 K(o=-0.041,f=-0.68) USER MOD Single : A 40 GLN : amide:sc= 0.609 K(o=0.61,f=0) USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 75:sc= 0.569 USER MOD Single : A 50 GLN : amide:sc= -0.105 X(o=-0.11,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -0.39 K(o=-0.39,f=-1) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 169:sc= 1.21 (180deg=0.896) USER MOD Single : A 91 LYS NZ :NH3+ 171:sc=-0.000876 (180deg=-0.0887) USER MOD Single : A 95 TYR OH : rot 30:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 169:sc= 0.748 (180deg=0.632) USER MOD Single : A 98 GLN : amide:sc= 0.215 X(o=0.21,f=-0.074) USER MOD Single : A 99 ASN : amide:sc= -0.0615 K(o=-0.062,f=-0.81) USER MOD Single : A 101 THR OG1 : rot 57:sc= 0.194 USER MOD Single : A 102 MET CE :methyl -172:sc= 0 (180deg=-0.193) USER MOD Single : A 117 CYS SG : rot 180:sc= 0 USER MOD Single : A 119 ASN : amide:sc= 1.53 K(o=1.5,f=-2.4!) USER MOD Single : A 121 THR OG1 : rot -31:sc= 1.03 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 THR OG1 : rot -56:sc= 0.96 USER MOD ----------------------------------------------------------------- ATOM 34 N HIS A 3 102.771 11.467 -25.793 1.00 21.22 N ATOM 35 CA HIS A 3 102.538 10.083 -25.400 1.00 1.24 C ATOM 36 C HIS A 3 101.661 10.087 -24.149 1.00 34.02 C ATOM 37 O HIS A 3 102.139 9.863 -23.038 1.00 3.40 O ATOM 38 CB HIS A 3 103.880 9.371 -25.185 1.00 42.21 C ATOM 39 CG HIS A 3 104.731 9.342 -26.429 1.00 22.41 C ATOM 40 ND1 HIS A 3 105.935 10.022 -26.527 1.00 61.15 N ATOM 41 CD2 HIS A 3 104.542 8.765 -27.662 1.00 73.44 C ATOM 42 CE1 HIS A 3 106.404 9.827 -27.771 1.00 21.14 C ATOM 43 NE2 HIS A 3 105.594 9.076 -28.520 1.00 34.20 N ATOM 0 HA HIS A 3 102.016 9.530 -26.181 1.00 1.24 H new ATOM 0 HB2 HIS A 3 104.428 9.872 -24.387 1.00 42.21 H new ATOM 0 HB3 HIS A 3 103.695 8.349 -24.853 1.00 42.21 H new ATOM 0 HD2 HIS A 3 103.693 8.153 -27.929 1.00 73.44 H new ATOM 0 HE1 HIS A 3 107.338 10.235 -28.127 1.00 21.14 H new ATOM 0 HE2 HIS A 3 105.717 8.795 -29.493 1.00 34.20 H new ATOM 51 N ASN A 4 100.370 10.375 -24.345 1.00 61.21 N ATOM 52 CA ASN A 4 99.406 10.535 -23.266 1.00 73.03 C ATOM 53 C ASN A 4 99.152 9.193 -22.578 1.00 3.12 C ATOM 54 O ASN A 4 99.012 8.167 -23.243 1.00 72.50 O ATOM 55 CB ASN A 4 98.100 11.124 -23.816 1.00 21.52 C ATOM 56 CG ASN A 4 98.308 12.469 -24.516 1.00 51.01 C ATOM 57 OD1 ASN A 4 99.215 13.225 -24.175 1.00 71.24 O ATOM 58 ND2 ASN A 4 97.469 12.768 -25.509 1.00 14.51 N ATOM 0 H ASN A 4 99.966 10.504 -25.273 1.00 61.21 H new ATOM 0 HA ASN A 4 99.811 11.224 -22.525 1.00 73.03 H new ATOM 0 HB2 ASN A 4 97.655 10.419 -24.518 1.00 21.52 H new ATOM 0 HB3 ASN A 4 97.390 11.250 -22.998 1.00 21.52 H new ATOM 0 HD21 ASN A 4 97.569 13.649 -26.013 1.00 14.51 H new ATOM 0 HD22 ASN A 4 96.728 12.116 -25.764 1.00 14.51 H new ATOM 65 N SER A 5 99.104 9.205 -21.241 1.00 2.40 N ATOM 66 CA SER A 5 98.928 8.010 -20.430 1.00 45.12 C ATOM 67 C SER A 5 97.444 7.650 -20.335 1.00 54.01 C ATOM 68 O SER A 5 96.781 7.981 -19.353 1.00 43.41 O ATOM 69 CB SER A 5 99.567 8.233 -19.054 1.00 11.42 C ATOM 70 OG SER A 5 99.446 7.073 -18.256 1.00 20.42 O ATOM 0 H SER A 5 99.188 10.060 -20.691 1.00 2.40 H new ATOM 0 HA SER A 5 99.429 7.162 -20.896 1.00 45.12 H new ATOM 0 HB2 SER A 5 100.619 8.491 -19.173 1.00 11.42 H new ATOM 0 HB3 SER A 5 99.087 9.075 -18.556 1.00 11.42 H new ATOM 0 HG SER A 5 99.994 7.172 -17.449 1.00 20.42 H new ATOM 76 N ILE A 6 96.938 6.941 -21.350 1.00 74.42 N ATOM 77 CA ILE A 6 95.626 6.310 -21.305 1.00 20.21 C ATOM 78 C ILE A 6 95.753 5.083 -20.398 1.00 52.12 C ATOM 79 O ILE A 6 96.678 4.288 -20.565 1.00 14.14 O ATOM 80 CB ILE A 6 95.153 5.946 -22.729 1.00 75.34 C ATOM 81 CG1 ILE A 6 94.652 7.178 -23.510 1.00 34.41 C ATOM 82 CG2 ILE A 6 93.997 4.932 -22.689 1.00 42.11 C ATOM 83 CD1 ILE A 6 95.731 8.219 -23.819 1.00 30.14 C ATOM 0 H ILE A 6 97.435 6.791 -22.228 1.00 74.42 H new ATOM 0 HA ILE A 6 94.870 6.984 -20.902 1.00 20.21 H new ATOM 0 HB ILE A 6 96.024 5.522 -23.229 1.00 75.34 H new ATOM 0 HG12 ILE A 6 94.211 6.842 -24.448 1.00 34.41 H new ATOM 0 HG13 ILE A 6 93.858 7.656 -22.937 1.00 34.41 H new ATOM 0 HG21 ILE A 6 93.685 4.695 -23.706 1.00 42.11 H new ATOM 0 HG22 ILE A 6 94.329 4.022 -22.190 1.00 42.11 H new ATOM 0 HG23 ILE A 6 93.157 5.360 -22.143 1.00 42.11 H new ATOM 0 HD11 ILE A 6 95.289 9.049 -24.370 1.00 30.14 H new ATOM 0 HD12 ILE A 6 96.158 8.589 -22.887 1.00 30.14 H new ATOM 0 HD13 ILE A 6 96.516 7.762 -24.421 1.00 30.14 H new ATOM 95 N ARG A 7 94.842 4.950 -19.426 1.00 12.43 N ATOM 96 CA ARG A 7 94.832 3.870 -18.448 1.00 43.53 C ATOM 97 C ARG A 7 93.403 3.353 -18.280 1.00 40.41 C ATOM 98 O ARG A 7 92.442 4.090 -18.494 1.00 64.02 O ATOM 99 CB ARG A 7 95.397 4.363 -17.109 1.00 73.13 C ATOM 100 CG ARG A 7 96.850 4.842 -17.242 1.00 34.20 C ATOM 101 CD ARG A 7 97.458 5.191 -15.878 1.00 20.41 C ATOM 102 NE ARG A 7 96.683 6.222 -15.175 1.00 0.20 N ATOM 103 CZ ARG A 7 96.702 7.540 -15.441 1.00 64.05 C ATOM 104 NH1 ARG A 7 97.490 8.046 -16.399 1.00 2.42 N ATOM 105 NH2 ARG A 7 95.917 8.363 -14.734 1.00 30.31 N ATOM 0 H ARG A 7 94.075 5.610 -19.300 1.00 12.43 H new ATOM 0 HA ARG A 7 95.463 3.053 -18.799 1.00 43.53 H new ATOM 0 HB2 ARG A 7 94.779 5.178 -16.732 1.00 73.13 H new ATOM 0 HB3 ARG A 7 95.346 3.559 -16.375 1.00 73.13 H new ATOM 0 HG2 ARG A 7 97.447 4.065 -17.719 1.00 34.20 H new ATOM 0 HG3 ARG A 7 96.887 5.716 -17.892 1.00 34.20 H new ATOM 0 HD2 ARG A 7 97.507 4.293 -15.263 1.00 20.41 H new ATOM 0 HD3 ARG A 7 98.482 5.539 -16.016 1.00 20.41 H new ATOM 0 HE ARG A 7 96.076 5.910 -14.417 1.00 0.20 H new ATOM 0 HH11 ARG A 7 98.092 7.428 -16.944 1.00 2.42 H new ATOM 0 HH12 ARG A 7 97.488 9.049 -16.584 1.00 2.42 H new ATOM 0 HH21 ARG A 7 95.313 7.988 -14.002 1.00 30.31 H new ATOM 0 HH22 ARG A 7 95.923 9.365 -14.927 1.00 30.31 H new ATOM 119 N SER A 8 93.273 2.073 -17.913 1.00 32.22 N ATOM 120 CA SER A 8 91.997 1.377 -17.830 1.00 1.42 C ATOM 121 C SER A 8 91.136 1.912 -16.685 1.00 32.42 C ATOM 122 O SER A 8 91.637 2.162 -15.588 1.00 52.34 O ATOM 123 CB SER A 8 92.252 -0.121 -17.644 1.00 63.00 C ATOM 124 OG SER A 8 93.064 -0.606 -18.694 1.00 61.31 O ATOM 0 H SER A 8 94.069 1.487 -17.662 1.00 32.22 H new ATOM 0 HA SER A 8 91.450 1.549 -18.757 1.00 1.42 H new ATOM 0 HB2 SER A 8 92.738 -0.299 -16.685 1.00 63.00 H new ATOM 0 HB3 SER A 8 91.305 -0.660 -17.627 1.00 63.00 H new ATOM 0 HG SER A 8 93.224 -1.564 -18.568 1.00 61.31 H new ATOM 130 N GLY A 9 89.829 2.047 -16.939 1.00 72.13 N ATOM 131 CA GLY A 9 88.840 2.355 -15.917 1.00 3.54 C ATOM 132 C GLY A 9 88.530 1.118 -15.074 1.00 0.03 C ATOM 133 O GLY A 9 89.033 0.027 -15.345 1.00 13.04 O ATOM 0 H GLY A 9 89.431 1.943 -17.872 1.00 72.13 H new ATOM 0 HA2 GLY A 9 89.210 3.155 -15.276 1.00 3.54 H new ATOM 0 HA3 GLY A 9 87.926 2.720 -16.386 1.00 3.54 H new ATOM 137 N HIS A 10 87.697 1.294 -14.042 1.00 53.32 N ATOM 138 CA HIS A 10 87.323 0.240 -13.109 1.00 24.12 C ATOM 139 C HIS A 10 86.079 0.663 -12.327 1.00 63.44 C ATOM 140 O HIS A 10 85.804 1.855 -12.191 1.00 70.32 O ATOM 141 CB HIS A 10 88.494 -0.070 -12.164 1.00 33.24 C ATOM 142 CG HIS A 10 89.043 1.148 -11.464 1.00 14.21 C ATOM 143 ND1 HIS A 10 90.079 1.904 -11.992 1.00 65.12 N ATOM 144 CD2 HIS A 10 88.697 1.774 -10.291 1.00 42.44 C ATOM 145 CE1 HIS A 10 90.306 2.917 -11.139 1.00 44.45 C ATOM 146 NE2 HIS A 10 89.495 2.894 -10.080 1.00 13.31 N ATOM 0 H HIS A 10 87.259 2.191 -13.833 1.00 53.32 H new ATOM 0 HA HIS A 10 87.089 -0.669 -13.662 1.00 24.12 H new ATOM 0 HB2 HIS A 10 88.165 -0.791 -11.416 1.00 33.24 H new ATOM 0 HB3 HIS A 10 89.294 -0.543 -12.733 1.00 33.24 H new ATOM 0 HD2 HIS A 10 87.914 1.443 -9.625 1.00 42.44 H new ATOM 0 HE1 HIS A 10 91.065 3.670 -11.294 1.00 44.45 H new ATOM 0 HE2 HIS A 10 89.467 3.547 -9.297 1.00 13.31 H new ATOM 154 N GLY A 11 85.330 -0.320 -11.820 1.00 42.33 N ATOM 155 CA GLY A 11 84.107 -0.101 -11.062 1.00 64.44 C ATOM 156 C GLY A 11 83.412 -1.433 -10.786 1.00 63.51 C ATOM 157 O GLY A 11 83.976 -2.496 -11.041 1.00 51.42 O ATOM 0 H GLY A 11 85.566 -1.306 -11.930 1.00 42.33 H new ATOM 0 HA2 GLY A 11 84.338 0.399 -10.121 1.00 64.44 H new ATOM 0 HA3 GLY A 11 83.439 0.558 -11.617 1.00 64.44 H new ATOM 161 N GLY A 12 82.179 -1.372 -10.269 1.00 63.24 N ATOM 162 CA GLY A 12 81.378 -2.549 -9.971 1.00 14.41 C ATOM 163 C GLY A 12 79.957 -2.146 -9.584 1.00 52.03 C ATOM 164 O GLY A 12 79.731 -1.029 -9.121 1.00 60.23 O ATOM 0 H GLY A 12 81.712 -0.493 -10.046 1.00 63.24 H new ATOM 0 HA2 GLY A 12 81.352 -3.207 -10.839 1.00 14.41 H new ATOM 0 HA3 GLY A 12 81.837 -3.112 -9.158 1.00 14.41 H new ATOM 168 N LEU A 13 79.003 -3.063 -9.783 1.00 42.11 N ATOM 169 CA LEU A 13 77.595 -2.856 -9.473 1.00 42.21 C ATOM 170 C LEU A 13 77.324 -3.270 -8.026 1.00 30.11 C ATOM 171 O LEU A 13 77.822 -4.300 -7.574 1.00 50.12 O ATOM 172 CB LEU A 13 76.721 -3.669 -10.440 1.00 3.31 C ATOM 173 CG LEU A 13 76.941 -3.323 -11.924 1.00 3.24 C ATOM 174 CD1 LEU A 13 76.059 -4.233 -12.786 1.00 73.03 C ATOM 175 CD2 LEU A 13 76.609 -1.858 -12.233 1.00 12.21 C ATOM 0 H LEU A 13 79.198 -3.986 -10.172 1.00 42.11 H new ATOM 0 HA LEU A 13 77.348 -1.801 -9.589 1.00 42.21 H new ATOM 0 HB2 LEU A 13 76.922 -4.730 -10.291 1.00 3.31 H new ATOM 0 HB3 LEU A 13 75.673 -3.505 -10.191 1.00 3.31 H new ATOM 0 HG LEU A 13 77.996 -3.477 -12.150 1.00 3.24 H new ATOM 0 HD11 LEU A 13 76.209 -3.994 -13.839 1.00 73.03 H new ATOM 0 HD12 LEU A 13 76.328 -5.274 -12.608 1.00 73.03 H new ATOM 0 HD13 LEU A 13 75.012 -4.079 -12.525 1.00 73.03 H new ATOM 0 HD21 LEU A 13 76.780 -1.662 -13.292 1.00 12.21 H new ATOM 0 HD22 LEU A 13 75.564 -1.663 -11.992 1.00 12.21 H new ATOM 0 HD23 LEU A 13 77.247 -1.207 -11.636 1.00 12.21 H new ATOM 187 N ASN A 14 76.530 -2.465 -7.309 1.00 21.13 N ATOM 188 CA ASN A 14 76.143 -2.709 -5.927 1.00 31.45 C ATOM 189 C ASN A 14 74.827 -3.488 -5.902 1.00 25.12 C ATOM 190 O ASN A 14 73.772 -2.923 -6.187 1.00 64.43 O ATOM 191 CB ASN A 14 76.015 -1.367 -5.193 1.00 71.42 C ATOM 192 CG ASN A 14 75.597 -1.547 -3.733 1.00 64.11 C ATOM 193 OD1 ASN A 14 76.441 -1.561 -2.841 1.00 21.23 O ATOM 194 ND2 ASN A 14 74.293 -1.676 -3.485 1.00 14.33 N ATOM 0 H ASN A 14 76.133 -1.606 -7.690 1.00 21.13 H new ATOM 0 HA ASN A 14 76.901 -3.305 -5.418 1.00 31.45 H new ATOM 0 HB2 ASN A 14 76.968 -0.839 -5.234 1.00 71.42 H new ATOM 0 HB3 ASN A 14 75.283 -0.743 -5.705 1.00 71.42 H new ATOM 0 HD21 ASN A 14 73.965 -1.791 -2.526 1.00 14.33 H new ATOM 0 HD22 ASN A 14 73.623 -1.659 -4.254 1.00 14.33 H new ATOM 201 N GLN A 15 74.886 -4.772 -5.534 1.00 63.52 N ATOM 202 CA GLN A 15 73.703 -5.604 -5.356 1.00 34.35 C ATOM 203 C GLN A 15 72.946 -5.137 -4.111 1.00 24.41 C ATOM 204 O GLN A 15 73.562 -4.746 -3.120 1.00 54.33 O ATOM 205 CB GLN A 15 74.084 -7.085 -5.233 1.00 20.12 C ATOM 206 CG GLN A 15 74.654 -7.686 -6.528 1.00 42.32 C ATOM 207 CD GLN A 15 76.006 -7.088 -6.912 1.00 4.24 C ATOM 208 OE1 GLN A 15 76.915 -7.029 -6.089 1.00 55.52 O ATOM 209 NE2 GLN A 15 76.135 -6.609 -8.150 1.00 54.24 N ATOM 0 H GLN A 15 75.762 -5.261 -5.352 1.00 63.52 H new ATOM 0 HA GLN A 15 73.062 -5.503 -6.231 1.00 34.35 H new ATOM 0 HB2 GLN A 15 74.820 -7.197 -4.436 1.00 20.12 H new ATOM 0 HB3 GLN A 15 73.203 -7.654 -4.936 1.00 20.12 H new ATOM 0 HG2 GLN A 15 74.760 -8.764 -6.407 1.00 42.32 H new ATOM 0 HG3 GLN A 15 73.946 -7.524 -7.341 1.00 42.32 H new ATOM 0 HE21 GLN A 15 75.357 -6.676 -8.806 1.00 54.24 H new ATOM 0 HE22 GLN A 15 77.011 -6.176 -8.440 1.00 54.24 H new ATOM 218 N LEU A 16 71.611 -5.161 -4.175 1.00 14.22 N ATOM 219 CA LEU A 16 70.742 -4.658 -3.120 1.00 64.42 C ATOM 220 C LEU A 16 69.427 -5.440 -3.175 1.00 22.33 C ATOM 221 O LEU A 16 68.590 -5.192 -4.043 1.00 65.43 O ATOM 222 CB LEU A 16 70.557 -3.141 -3.300 1.00 1.01 C ATOM 223 CG LEU A 16 70.229 -2.389 -1.999 1.00 45.52 C ATOM 224 CD1 LEU A 16 70.124 -0.890 -2.305 1.00 54.55 C ATOM 225 CD2 LEU A 16 68.930 -2.868 -1.346 1.00 61.02 C ATOM 0 H LEU A 16 71.102 -5.537 -4.975 1.00 14.22 H new ATOM 0 HA LEU A 16 71.174 -4.804 -2.130 1.00 64.42 H new ATOM 0 HB2 LEU A 16 71.468 -2.723 -3.729 1.00 1.01 H new ATOM 0 HB3 LEU A 16 69.757 -2.966 -4.019 1.00 1.01 H new ATOM 0 HG LEU A 16 71.034 -2.590 -1.292 1.00 45.52 H new ATOM 0 HD11 LEU A 16 69.892 -0.347 -1.389 1.00 54.55 H new ATOM 0 HD12 LEU A 16 71.072 -0.534 -2.707 1.00 54.55 H new ATOM 0 HD13 LEU A 16 69.333 -0.722 -3.037 1.00 54.55 H new ATOM 0 HD21 LEU A 16 68.751 -2.301 -0.432 1.00 61.02 H new ATOM 0 HD22 LEU A 16 68.099 -2.717 -2.035 1.00 61.02 H new ATOM 0 HD23 LEU A 16 69.013 -3.928 -1.105 1.00 61.02 H new ATOM 375 N PRO A 27 51.606 -8.729 5.092 1.00 1.23 N ATOM 376 CA PRO A 27 50.173 -8.928 5.280 1.00 43.42 C ATOM 377 C PRO A 27 49.717 -10.229 4.596 1.00 21.34 C ATOM 378 O PRO A 27 50.539 -11.101 4.317 1.00 44.14 O ATOM 379 CB PRO A 27 49.530 -7.662 4.693 1.00 34.12 C ATOM 380 CG PRO A 27 50.485 -7.282 3.566 1.00 74.25 C ATOM 381 CD PRO A 27 51.849 -7.641 4.154 1.00 11.02 C ATOM 0 HA PRO A 27 49.881 -9.053 6.323 1.00 43.42 H new ATOM 0 HB2 PRO A 27 48.524 -7.856 4.321 1.00 34.12 H new ATOM 0 HB3 PRO A 27 49.448 -6.869 5.437 1.00 34.12 H new ATOM 0 HG2 PRO A 27 50.277 -7.839 2.653 1.00 74.25 H new ATOM 0 HG3 PRO A 27 50.417 -6.223 3.316 1.00 74.25 H new ATOM 0 HD2 PRO A 27 52.543 -7.948 3.372 1.00 11.02 H new ATOM 0 HD3 PRO A 27 52.295 -6.783 4.658 1.00 11.02 H new ATOM 389 N GLU A 28 48.411 -10.360 4.324 1.00 4.03 N ATOM 390 CA GLU A 28 47.775 -11.537 3.730 1.00 45.02 C ATOM 391 C GLU A 28 48.496 -12.083 2.490 1.00 3.21 C ATOM 392 O GLU A 28 48.382 -13.271 2.197 1.00 34.31 O ATOM 393 CB GLU A 28 46.315 -11.236 3.382 1.00 3.30 C ATOM 394 CG GLU A 28 45.522 -10.777 4.610 1.00 33.13 C ATOM 395 CD GLU A 28 45.443 -9.257 4.696 1.00 3.22 C ATOM 396 OE1 GLU A 28 44.541 -8.695 4.037 1.00 14.42 O ATOM 397 OE2 GLU A 28 46.304 -8.684 5.399 1.00 63.12 O ATOM 0 H GLU A 28 47.743 -9.615 4.522 1.00 4.03 H new ATOM 0 HA GLU A 28 47.835 -12.316 4.490 1.00 45.02 H new ATOM 0 HB2 GLU A 28 46.276 -10.463 2.614 1.00 3.30 H new ATOM 0 HB3 GLU A 28 45.850 -12.128 2.961 1.00 3.30 H new ATOM 0 HG2 GLU A 28 44.515 -11.192 4.568 1.00 33.13 H new ATOM 0 HG3 GLU A 28 45.991 -11.168 5.513 1.00 33.13 H new ATOM 404 N VAL A 29 49.222 -11.227 1.757 1.00 15.14 N ATOM 405 CA VAL A 29 50.048 -11.594 0.607 1.00 43.10 C ATOM 406 C VAL A 29 50.999 -12.764 0.905 1.00 52.10 C ATOM 407 O VAL A 29 51.365 -13.496 -0.012 1.00 33.02 O ATOM 408 CB VAL A 29 50.810 -10.352 0.107 1.00 20.41 C ATOM 409 CG1 VAL A 29 51.930 -9.928 1.067 1.00 64.42 C ATOM 410 CG2 VAL A 29 51.396 -10.577 -1.293 1.00 1.04 C ATOM 0 H VAL A 29 49.249 -10.227 1.958 1.00 15.14 H new ATOM 0 HA VAL A 29 49.387 -11.950 -0.183 1.00 43.10 H new ATOM 0 HB VAL A 29 50.076 -9.547 0.062 1.00 20.41 H new ATOM 0 HG11 VAL A 29 52.436 -9.049 0.669 1.00 64.42 H new ATOM 0 HG12 VAL A 29 51.504 -9.691 2.042 1.00 64.42 H new ATOM 0 HG13 VAL A 29 52.647 -10.743 1.173 1.00 64.42 H new ATOM 0 HG21 VAL A 29 51.927 -9.680 -1.614 1.00 1.04 H new ATOM 0 HG22 VAL A 29 52.088 -11.418 -1.267 1.00 1.04 H new ATOM 0 HG23 VAL A 29 50.590 -10.792 -1.995 1.00 1.04 H new ATOM 420 N VAL A 30 51.380 -12.954 2.176 1.00 41.32 N ATOM 421 CA VAL A 30 52.229 -14.048 2.632 1.00 1.42 C ATOM 422 C VAL A 30 51.705 -15.414 2.179 1.00 74.30 C ATOM 423 O VAL A 30 52.512 -16.304 1.929 1.00 53.12 O ATOM 424 CB VAL A 30 52.421 -13.959 4.157 1.00 74.05 C ATOM 425 CG1 VAL A 30 51.146 -14.321 4.931 1.00 22.33 C ATOM 426 CG2 VAL A 30 53.582 -14.845 4.626 1.00 52.40 C ATOM 0 H VAL A 30 51.095 -12.330 2.931 1.00 41.32 H new ATOM 0 HA VAL A 30 53.208 -13.946 2.164 1.00 1.42 H new ATOM 0 HB VAL A 30 52.658 -12.917 4.373 1.00 74.05 H new ATOM 0 HG11 VAL A 30 51.336 -14.242 6.002 1.00 22.33 H new ATOM 0 HG12 VAL A 30 50.345 -13.636 4.653 1.00 22.33 H new ATOM 0 HG13 VAL A 30 50.851 -15.342 4.689 1.00 22.33 H new ATOM 0 HG21 VAL A 30 53.691 -14.760 5.707 1.00 52.40 H new ATOM 0 HG22 VAL A 30 53.377 -15.883 4.363 1.00 52.40 H new ATOM 0 HG23 VAL A 30 54.504 -14.523 4.142 1.00 52.40 H new ATOM 436 N ARG A 31 50.381 -15.567 2.019 1.00 4.30 N ATOM 437 CA ARG A 31 49.762 -16.760 1.451 1.00 23.45 C ATOM 438 C ARG A 31 50.471 -17.231 0.177 1.00 14.22 C ATOM 439 O ARG A 31 50.699 -18.424 0.006 1.00 34.25 O ATOM 440 CB ARG A 31 48.268 -16.522 1.200 1.00 62.41 C ATOM 441 CG ARG A 31 47.950 -15.612 0.008 1.00 70.33 C ATOM 442 CD ARG A 31 46.451 -15.317 -0.038 1.00 11.32 C ATOM 443 NE ARG A 31 46.118 -14.439 -1.168 1.00 24.32 N ATOM 444 CZ ARG A 31 46.200 -13.098 -1.159 1.00 64.42 C ATOM 445 NH1 ARG A 31 46.623 -12.441 -0.071 1.00 60.32 N ATOM 446 NH2 ARG A 31 45.854 -12.410 -2.255 1.00 13.35 N ATOM 0 H ARG A 31 49.706 -14.851 2.287 1.00 4.30 H new ATOM 0 HA ARG A 31 49.867 -17.562 2.181 1.00 23.45 H new ATOM 0 HB2 ARG A 31 47.783 -17.485 1.042 1.00 62.41 H new ATOM 0 HB3 ARG A 31 47.829 -16.087 2.098 1.00 62.41 H new ATOM 0 HG2 ARG A 31 48.510 -14.681 0.091 1.00 70.33 H new ATOM 0 HG3 ARG A 31 48.264 -16.091 -0.920 1.00 70.33 H new ATOM 0 HD2 ARG A 31 45.896 -16.251 -0.124 1.00 11.32 H new ATOM 0 HD3 ARG A 31 46.141 -14.847 0.895 1.00 11.32 H new ATOM 0 HE ARG A 31 45.799 -14.883 -2.029 1.00 24.32 H new ATOM 0 HH11 ARG A 31 46.888 -12.959 0.767 1.00 60.32 H new ATOM 0 HH12 ARG A 31 46.680 -11.423 -0.080 1.00 60.32 H new ATOM 0 HH21 ARG A 31 45.532 -12.904 -3.087 1.00 13.35 H new ATOM 0 HH22 ARG A 31 45.913 -11.392 -2.258 1.00 13.35 H new ATOM 460 N GLN A 32 50.843 -16.291 -0.701 1.00 2.10 N ATOM 461 CA GLN A 32 51.540 -16.567 -1.947 1.00 62.04 C ATOM 462 C GLN A 32 52.889 -17.236 -1.673 1.00 34.11 C ATOM 463 O GLN A 32 53.271 -18.146 -2.403 1.00 11.13 O ATOM 464 CB GLN A 32 51.737 -15.278 -2.760 1.00 41.51 C ATOM 465 CG GLN A 32 50.437 -14.537 -3.120 1.00 22.45 C ATOM 466 CD GLN A 32 49.411 -15.397 -3.840 1.00 53.22 C ATOM 467 OE1 GLN A 32 48.247 -15.441 -3.448 1.00 2.12 O ATOM 468 NE2 GLN A 32 49.830 -16.079 -4.900 1.00 4.15 N ATOM 0 H GLN A 32 50.660 -15.298 -0.554 1.00 2.10 H new ATOM 0 HA GLN A 32 50.927 -17.251 -2.533 1.00 62.04 H new ATOM 0 HB2 GLN A 32 52.379 -14.603 -2.194 1.00 41.51 H new ATOM 0 HB3 GLN A 32 52.266 -15.523 -3.681 1.00 41.51 H new ATOM 0 HG2 GLN A 32 49.990 -14.145 -2.206 1.00 22.45 H new ATOM 0 HG3 GLN A 32 50.682 -13.680 -3.748 1.00 22.45 H new ATOM 0 HE21 GLN A 32 50.805 -16.016 -5.194 1.00 4.15 H new ATOM 0 HE22 GLN A 32 49.177 -16.665 -5.420 1.00 4.15 H new ATOM 477 N ARG A 33 53.600 -16.803 -0.624 1.00 3.42 N ATOM 478 CA ARG A 33 54.864 -17.400 -0.215 1.00 12.24 C ATOM 479 C ARG A 33 54.653 -18.799 0.368 1.00 4.04 C ATOM 480 O ARG A 33 55.443 -19.695 0.080 1.00 44.22 O ATOM 481 CB ARG A 33 55.611 -16.497 0.774 1.00 60.22 C ATOM 482 CG ARG A 33 55.993 -15.161 0.122 1.00 32.52 C ATOM 483 CD ARG A 33 56.886 -14.313 1.038 1.00 74.51 C ATOM 484 NE ARG A 33 58.109 -15.021 1.445 1.00 10.33 N ATOM 485 CZ ARG A 33 59.175 -15.275 0.667 1.00 31.40 C ATOM 486 NH1 ARG A 33 59.209 -14.870 -0.612 1.00 44.40 N ATOM 487 NH2 ARG A 33 60.218 -15.940 1.177 1.00 71.13 N ATOM 0 H ARG A 33 53.307 -16.023 -0.036 1.00 3.42 H new ATOM 0 HA ARG A 33 55.484 -17.501 -1.106 1.00 12.24 H new ATOM 0 HB2 ARG A 33 54.985 -16.313 1.647 1.00 60.22 H new ATOM 0 HB3 ARG A 33 56.510 -17.003 1.126 1.00 60.22 H new ATOM 0 HG2 ARG A 33 56.512 -15.351 -0.817 1.00 32.52 H new ATOM 0 HG3 ARG A 33 55.088 -14.604 -0.121 1.00 32.52 H new ATOM 0 HD2 ARG A 33 57.158 -13.391 0.523 1.00 74.51 H new ATOM 0 HD3 ARG A 33 56.323 -14.028 1.926 1.00 74.51 H new ATOM 0 HE ARG A 33 58.152 -15.351 2.409 1.00 10.33 H new ATOM 0 HH11 ARG A 33 58.418 -14.361 -1.007 1.00 44.40 H new ATOM 0 HH12 ARG A 33 60.026 -15.071 -1.189 1.00 44.40 H new ATOM 0 HH21 ARG A 33 60.200 -16.250 2.149 1.00 71.13 H new ATOM 0 HH22 ARG A 33 61.031 -16.137 0.594 1.00 71.13 H new ATOM 501 N ILE A 34 53.596 -18.999 1.172 1.00 63.14 N ATOM 502 CA ILE A 34 53.268 -20.320 1.707 1.00 31.02 C ATOM 503 C ILE A 34 53.028 -21.295 0.550 1.00 35.34 C ATOM 504 O ILE A 34 53.631 -22.367 0.512 1.00 60.44 O ATOM 505 CB ILE A 34 52.052 -20.272 2.660 1.00 31.22 C ATOM 506 CG1 ILE A 34 52.145 -19.195 3.758 1.00 53.40 C ATOM 507 CG2 ILE A 34 51.827 -21.648 3.306 1.00 3.13 C ATOM 508 CD1 ILE A 34 53.486 -19.133 4.491 1.00 53.23 C ATOM 0 H ILE A 34 52.957 -18.259 1.463 1.00 63.14 H new ATOM 0 HA ILE A 34 54.113 -20.670 2.300 1.00 31.02 H new ATOM 0 HB ILE A 34 51.203 -19.996 2.034 1.00 31.22 H new ATOM 0 HG12 ILE A 34 51.948 -18.222 3.309 1.00 53.40 H new ATOM 0 HG13 ILE A 34 51.356 -19.374 4.489 1.00 53.40 H new ATOM 0 HG21 ILE A 34 50.968 -21.600 3.975 1.00 3.13 H new ATOM 0 HG22 ILE A 34 51.641 -22.389 2.529 1.00 3.13 H new ATOM 0 HG23 ILE A 34 52.713 -21.933 3.874 1.00 3.13 H new ATOM 0 HD11 ILE A 34 53.453 -18.345 5.244 1.00 53.23 H new ATOM 0 HD12 ILE A 34 53.680 -20.090 4.976 1.00 53.23 H new ATOM 0 HD13 ILE A 34 54.281 -18.920 3.777 1.00 53.23 H new ATOM 520 N VAL A 35 52.167 -20.903 -0.396 1.00 15.14 N ATOM 521 CA VAL A 35 51.833 -21.668 -1.588 1.00 24.43 C ATOM 522 C VAL A 35 53.105 -21.980 -2.382 1.00 62.54 C ATOM 523 O VAL A 35 53.387 -23.147 -2.637 1.00 42.23 O ATOM 524 CB VAL A 35 50.789 -20.892 -2.416 1.00 1.20 C ATOM 525 CG1 VAL A 35 50.582 -21.496 -3.810 1.00 41.34 C ATOM 526 CG2 VAL A 35 49.435 -20.879 -1.690 1.00 11.45 C ATOM 0 H VAL A 35 51.670 -20.014 -0.345 1.00 15.14 H new ATOM 0 HA VAL A 35 51.389 -22.625 -1.314 1.00 24.43 H new ATOM 0 HB VAL A 35 51.176 -19.879 -2.530 1.00 1.20 H new ATOM 0 HG11 VAL A 35 49.838 -20.913 -4.352 1.00 41.34 H new ATOM 0 HG12 VAL A 35 51.525 -21.480 -4.357 1.00 41.34 H new ATOM 0 HG13 VAL A 35 50.236 -22.525 -3.713 1.00 41.34 H new ATOM 0 HG21 VAL A 35 48.708 -20.328 -2.286 1.00 11.45 H new ATOM 0 HG22 VAL A 35 49.088 -21.903 -1.549 1.00 11.45 H new ATOM 0 HG23 VAL A 35 49.548 -20.397 -0.719 1.00 11.45 H new ATOM 536 N ASP A 36 53.865 -20.944 -2.754 1.00 45.21 N ATOM 537 CA ASP A 36 55.093 -21.046 -3.535 1.00 63.03 C ATOM 538 C ASP A 36 56.061 -22.059 -2.926 1.00 33.10 C ATOM 539 O ASP A 36 56.490 -22.993 -3.601 1.00 21.44 O ATOM 540 CB ASP A 36 55.741 -19.659 -3.627 1.00 22.32 C ATOM 541 CG ASP A 36 57.091 -19.702 -4.334 1.00 3.04 C ATOM 542 OD1 ASP A 36 57.079 -19.773 -5.581 1.00 11.20 O ATOM 543 OD2 ASP A 36 58.112 -19.662 -3.612 1.00 13.03 O ATOM 0 H ASP A 36 53.631 -19.982 -2.509 1.00 45.21 H new ATOM 0 HA ASP A 36 54.848 -21.402 -4.535 1.00 63.03 H new ATOM 0 HB2 ASP A 36 55.074 -18.983 -4.161 1.00 22.32 H new ATOM 0 HB3 ASP A 36 55.870 -19.253 -2.624 1.00 22.32 H new ATOM 548 N LEU A 37 56.401 -21.872 -1.647 1.00 12.12 N ATOM 549 CA LEU A 37 57.346 -22.723 -0.943 1.00 64.41 C ATOM 550 C LEU A 37 56.835 -24.162 -0.894 1.00 21.31 C ATOM 551 O LEU A 37 57.572 -25.078 -1.249 1.00 62.42 O ATOM 552 CB LEU A 37 57.606 -22.151 0.460 1.00 40.44 C ATOM 553 CG LEU A 37 58.772 -22.826 1.204 1.00 31.52 C ATOM 554 CD1 LEU A 37 60.131 -22.457 0.595 1.00 34.13 C ATOM 555 CD2 LEU A 37 58.762 -22.357 2.663 1.00 51.13 C ATOM 0 H LEU A 37 56.022 -21.119 -1.073 1.00 12.12 H new ATOM 0 HA LEU A 37 58.295 -22.741 -1.479 1.00 64.41 H new ATOM 0 HB2 LEU A 37 57.812 -21.084 0.374 1.00 40.44 H new ATOM 0 HB3 LEU A 37 56.700 -22.253 1.057 1.00 40.44 H new ATOM 0 HG LEU A 37 58.639 -23.905 1.126 1.00 31.52 H new ATOM 0 HD11 LEU A 37 60.926 -22.955 1.150 1.00 34.13 H new ATOM 0 HD12 LEU A 37 60.162 -22.776 -0.447 1.00 34.13 H new ATOM 0 HD13 LEU A 37 60.272 -21.378 0.648 1.00 34.13 H new ATOM 0 HD21 LEU A 37 59.584 -22.828 3.202 1.00 51.13 H new ATOM 0 HD22 LEU A 37 58.879 -21.274 2.698 1.00 51.13 H new ATOM 0 HD23 LEU A 37 57.816 -22.635 3.128 1.00 51.13 H new ATOM 567 N ALA A 38 55.572 -24.356 -0.491 1.00 53.13 N ATOM 568 CA ALA A 38 54.929 -25.666 -0.459 1.00 21.31 C ATOM 569 C ALA A 38 54.974 -26.370 -1.822 1.00 74.01 C ATOM 570 O ALA A 38 55.149 -27.587 -1.872 1.00 62.24 O ATOM 571 CB ALA A 38 53.485 -25.524 0.028 1.00 21.31 C ATOM 0 H ALA A 38 54.967 -23.598 -0.176 1.00 53.13 H new ATOM 0 HA ALA A 38 55.487 -26.292 0.238 1.00 21.31 H new ATOM 0 HB1 ALA A 38 53.010 -26.505 0.050 1.00 21.31 H new ATOM 0 HB2 ALA A 38 53.480 -25.096 1.030 1.00 21.31 H new ATOM 0 HB3 ALA A 38 52.935 -24.870 -0.649 1.00 21.31 H new ATOM 577 N HIS A 39 54.818 -25.608 -2.915 1.00 55.43 N ATOM 578 CA HIS A 39 54.718 -26.119 -4.278 1.00 23.33 C ATOM 579 C HIS A 39 55.954 -26.915 -4.703 1.00 31.43 C ATOM 580 O HIS A 39 55.831 -27.808 -5.539 1.00 71.14 O ATOM 581 CB HIS A 39 54.441 -24.968 -5.257 1.00 74.41 C ATOM 582 CG HIS A 39 53.867 -25.409 -6.580 1.00 22.35 C ATOM 583 ND1 HIS A 39 54.601 -26.107 -7.527 1.00 65.50 N ATOM 584 CD2 HIS A 39 52.619 -25.253 -7.135 1.00 42.50 C ATOM 585 CE1 HIS A 39 53.789 -26.340 -8.572 1.00 1.22 C ATOM 586 NE2 HIS A 39 52.564 -25.840 -8.395 1.00 13.15 N ATOM 0 H HIS A 39 54.757 -24.591 -2.867 1.00 55.43 H new ATOM 0 HA HIS A 39 53.880 -26.816 -4.301 1.00 23.33 H new ATOM 0 HB2 HIS A 39 53.750 -24.266 -4.790 1.00 74.41 H new ATOM 0 HB3 HIS A 39 55.370 -24.428 -5.438 1.00 74.41 H new ATOM 0 HD2 HIS A 39 51.794 -24.744 -6.658 1.00 42.50 H new ATOM 0 HE1 HIS A 39 54.095 -26.874 -9.459 1.00 1.22 H new ATOM 0 HE2 HIS A 39 51.771 -25.879 -9.035 1.00 13.15 H new ATOM 594 N GLN A 40 57.136 -26.625 -4.134 1.00 2.41 N ATOM 595 CA GLN A 40 58.339 -27.401 -4.421 1.00 34.21 C ATOM 596 C GLN A 40 58.156 -28.889 -4.083 1.00 45.40 C ATOM 597 O GLN A 40 58.849 -29.733 -4.647 1.00 21.10 O ATOM 598 CB GLN A 40 59.558 -26.797 -3.701 1.00 0.31 C ATOM 599 CG GLN A 40 59.716 -27.317 -2.268 1.00 51.43 C ATOM 600 CD GLN A 40 60.802 -26.568 -1.501 1.00 65.54 C ATOM 601 OE1 GLN A 40 61.918 -27.061 -1.351 1.00 34.04 O ATOM 602 NE2 GLN A 40 60.474 -25.379 -1.000 1.00 52.51 N ATOM 0 H GLN A 40 57.277 -25.859 -3.475 1.00 2.41 H new ATOM 0 HA GLN A 40 58.522 -27.347 -5.494 1.00 34.21 H new ATOM 0 HB2 GLN A 40 60.460 -27.027 -4.268 1.00 0.31 H new ATOM 0 HB3 GLN A 40 59.462 -25.711 -3.681 1.00 0.31 H new ATOM 0 HG2 GLN A 40 58.767 -27.219 -1.741 1.00 51.43 H new ATOM 0 HG3 GLN A 40 59.958 -28.379 -2.293 1.00 51.43 H new ATOM 0 HE21 GLN A 40 59.537 -25.005 -1.147 1.00 52.51 H new ATOM 0 HE22 GLN A 40 61.160 -24.842 -0.469 1.00 52.51 H new ATOM 611 N GLY A 41 57.241 -29.201 -3.152 1.00 44.13 N ATOM 612 CA GLY A 41 56.970 -30.543 -2.666 1.00 44.44 C ATOM 613 C GLY A 41 57.684 -30.748 -1.335 1.00 14.32 C ATOM 614 O GLY A 41 58.576 -31.591 -1.233 1.00 2.04 O ATOM 0 H GLY A 41 56.655 -28.494 -2.708 1.00 44.13 H new ATOM 0 HA2 GLY A 41 55.897 -30.688 -2.543 1.00 44.44 H new ATOM 0 HA3 GLY A 41 57.310 -31.281 -3.392 1.00 44.44 H new ATOM 618 N VAL A 42 57.294 -29.962 -0.322 1.00 10.30 N ATOM 619 CA VAL A 42 57.949 -29.928 0.979 1.00 23.32 C ATOM 620 C VAL A 42 56.904 -29.810 2.097 1.00 41.13 C ATOM 621 O VAL A 42 55.765 -29.412 1.852 1.00 50.51 O ATOM 622 CB VAL A 42 58.993 -28.796 0.975 1.00 61.22 C ATOM 623 CG1 VAL A 42 58.343 -27.418 1.133 1.00 63.23 C ATOM 624 CG2 VAL A 42 60.088 -29.008 2.023 1.00 61.23 C ATOM 0 H VAL A 42 56.501 -29.324 -0.392 1.00 10.30 H new ATOM 0 HA VAL A 42 58.482 -30.858 1.176 1.00 23.32 H new ATOM 0 HB VAL A 42 59.472 -28.828 -0.004 1.00 61.22 H new ATOM 0 HG11 VAL A 42 59.115 -26.649 1.125 1.00 63.23 H new ATOM 0 HG12 VAL A 42 57.650 -27.246 0.309 1.00 63.23 H new ATOM 0 HG13 VAL A 42 57.800 -27.378 2.077 1.00 63.23 H new ATOM 0 HG21 VAL A 42 60.799 -28.183 1.979 1.00 61.23 H new ATOM 0 HG22 VAL A 42 59.639 -29.048 3.015 1.00 61.23 H new ATOM 0 HG23 VAL A 42 60.607 -29.945 1.822 1.00 61.23 H new ATOM 634 N ARG A 43 57.301 -30.184 3.318 1.00 31.04 N ATOM 635 CA ARG A 43 56.484 -30.259 4.524 1.00 53.31 C ATOM 636 C ARG A 43 57.260 -29.591 5.668 1.00 3.34 C ATOM 637 O ARG A 43 58.485 -29.558 5.602 1.00 11.04 O ATOM 638 CB ARG A 43 56.191 -31.743 4.800 1.00 21.42 C ATOM 639 CG ARG A 43 57.471 -32.574 5.004 1.00 4.41 C ATOM 640 CD ARG A 43 57.351 -33.984 4.413 1.00 53.52 C ATOM 641 NE ARG A 43 57.145 -33.953 2.955 1.00 52.22 N ATOM 642 CZ ARG A 43 58.055 -33.592 2.031 1.00 71.31 C ATOM 643 NH1 ARG A 43 59.321 -33.310 2.374 1.00 5.41 N ATOM 644 NH2 ARG A 43 57.684 -33.504 0.748 1.00 4.24 N ATOM 0 H ARG A 43 58.267 -30.460 3.497 1.00 31.04 H new ATOM 0 HA ARG A 43 55.532 -29.738 4.418 1.00 53.31 H new ATOM 0 HB2 ARG A 43 55.564 -31.826 5.687 1.00 21.42 H new ATOM 0 HB3 ARG A 43 55.622 -32.158 3.968 1.00 21.42 H new ATOM 0 HG2 ARG A 43 58.313 -32.059 4.541 1.00 4.41 H new ATOM 0 HG3 ARG A 43 57.688 -32.647 6.070 1.00 4.41 H new ATOM 0 HD2 ARG A 43 58.254 -34.551 4.640 1.00 53.52 H new ATOM 0 HD3 ARG A 43 56.519 -34.506 4.886 1.00 53.52 H new ATOM 0 HE ARG A 43 56.225 -34.232 2.613 1.00 52.22 H new ATOM 0 HH11 ARG A 43 59.610 -33.367 3.351 1.00 5.41 H new ATOM 0 HH12 ARG A 43 59.995 -33.038 1.658 1.00 5.41 H new ATOM 0 HH21 ARG A 43 56.721 -33.709 0.480 1.00 4.24 H new ATOM 0 HH22 ARG A 43 58.364 -33.232 0.038 1.00 4.24 H new ATOM 658 N PRO A 44 56.600 -29.037 6.700 1.00 23.00 N ATOM 659 CA PRO A 44 57.237 -28.199 7.715 1.00 62.41 C ATOM 660 C PRO A 44 58.439 -28.842 8.415 1.00 4.32 C ATOM 661 O PRO A 44 59.415 -28.151 8.706 1.00 33.14 O ATOM 662 CB PRO A 44 56.131 -27.789 8.690 1.00 63.51 C ATOM 663 CG PRO A 44 55.000 -28.778 8.418 1.00 3.32 C ATOM 664 CD PRO A 44 55.167 -29.089 6.932 1.00 24.53 C ATOM 0 HA PRO A 44 57.686 -27.329 7.235 1.00 62.41 H new ATOM 0 HB2 PRO A 44 56.471 -27.848 9.724 1.00 63.51 H new ATOM 0 HB3 PRO A 44 55.810 -26.761 8.518 1.00 63.51 H new ATOM 0 HG2 PRO A 44 55.092 -29.675 9.031 1.00 3.32 H new ATOM 0 HG3 PRO A 44 54.024 -28.344 8.632 1.00 3.32 H new ATOM 0 HD2 PRO A 44 54.762 -30.070 6.685 1.00 24.53 H new ATOM 0 HD3 PRO A 44 54.640 -28.362 6.314 1.00 24.53 H new ATOM 672 N CYS A 45 58.390 -30.157 8.659 1.00 55.14 N ATOM 673 CA CYS A 45 59.516 -30.904 9.207 1.00 73.54 C ATOM 674 C CYS A 45 60.751 -30.798 8.305 1.00 61.33 C ATOM 675 O CYS A 45 61.867 -30.639 8.795 1.00 44.43 O ATOM 676 CB CYS A 45 59.102 -32.360 9.430 1.00 23.32 C ATOM 677 SG CYS A 45 60.368 -33.229 10.395 1.00 2.32 S ATOM 0 H CYS A 45 57.565 -30.729 8.480 1.00 55.14 H new ATOM 0 HA CYS A 45 59.794 -30.470 10.167 1.00 73.54 H new ATOM 0 HB2 CYS A 45 58.146 -32.398 9.952 1.00 23.32 H new ATOM 0 HB3 CYS A 45 58.961 -32.857 8.470 1.00 23.32 H new ATOM 0 HG CYS A 45 60.003 -34.463 10.579 1.00 2.32 H new ATOM 683 N ASP A 46 60.543 -30.876 6.987 1.00 3.42 N ATOM 684 CA ASP A 46 61.593 -30.801 5.981 1.00 13.02 C ATOM 685 C ASP A 46 62.059 -29.353 5.787 1.00 0.20 C ATOM 686 O ASP A 46 63.263 -29.114 5.784 1.00 54.42 O ATOM 687 CB ASP A 46 61.092 -31.452 4.683 1.00 44.35 C ATOM 688 CG ASP A 46 62.186 -31.648 3.636 1.00 63.11 C ATOM 689 OD1 ASP A 46 62.819 -30.638 3.257 1.00 13.42 O ATOM 690 OD2 ASP A 46 62.345 -32.810 3.205 1.00 44.03 O ATOM 0 H ASP A 46 59.613 -30.996 6.585 1.00 3.42 H new ATOM 0 HA ASP A 46 62.471 -31.355 6.313 1.00 13.02 H new ATOM 0 HB2 ASP A 46 60.649 -32.420 4.919 1.00 44.35 H new ATOM 0 HB3 ASP A 46 60.301 -30.834 4.258 1.00 44.35 H new ATOM 695 N ILE A 47 61.128 -28.391 5.667 1.00 4.13 N ATOM 696 CA ILE A 47 61.412 -26.957 5.529 1.00 33.05 C ATOM 697 C ILE A 47 62.454 -26.501 6.552 1.00 64.40 C ATOM 698 O ILE A 47 63.332 -25.701 6.230 1.00 61.30 O ATOM 699 CB ILE A 47 60.116 -26.127 5.663 1.00 11.01 C ATOM 700 CG1 ILE A 47 59.190 -26.385 4.461 1.00 71.25 C ATOM 701 CG2 ILE A 47 60.413 -24.622 5.762 1.00 51.22 C ATOM 702 CD1 ILE A 47 57.851 -25.650 4.555 1.00 3.34 C ATOM 0 H ILE A 47 60.129 -28.598 5.664 1.00 4.13 H new ATOM 0 HA ILE A 47 61.824 -26.791 4.533 1.00 33.05 H new ATOM 0 HB ILE A 47 59.623 -26.441 6.583 1.00 11.01 H new ATOM 0 HG12 ILE A 47 59.700 -26.080 3.547 1.00 71.25 H new ATOM 0 HG13 ILE A 47 59.003 -27.456 4.379 1.00 71.25 H new ATOM 0 HG21 ILE A 47 59.477 -24.072 5.855 1.00 51.22 H new ATOM 0 HG22 ILE A 47 61.035 -24.431 6.637 1.00 51.22 H new ATOM 0 HG23 ILE A 47 60.938 -24.295 4.865 1.00 51.22 H new ATOM 0 HD11 ILE A 47 57.249 -25.877 3.675 1.00 3.34 H new ATOM 0 HD12 ILE A 47 57.321 -25.973 5.451 1.00 3.34 H new ATOM 0 HD13 ILE A 47 58.028 -24.576 4.606 1.00 3.34 H new ATOM 714 N SER A 48 62.350 -27.018 7.779 1.00 13.03 N ATOM 715 CA SER A 48 63.241 -26.707 8.886 1.00 32.33 C ATOM 716 C SER A 48 64.731 -26.874 8.570 1.00 23.14 C ATOM 717 O SER A 48 65.538 -26.275 9.272 1.00 32.52 O ATOM 718 CB SER A 48 62.861 -27.564 10.089 1.00 51.31 C ATOM 719 OG SER A 48 61.528 -27.299 10.471 1.00 71.21 O ATOM 0 H SER A 48 61.620 -27.684 8.031 1.00 13.03 H new ATOM 0 HA SER A 48 63.108 -25.646 9.100 1.00 32.33 H new ATOM 0 HB2 SER A 48 62.974 -28.620 9.844 1.00 51.31 H new ATOM 0 HB3 SER A 48 63.534 -27.356 10.921 1.00 51.31 H new ATOM 0 HG SER A 48 60.915 -27.721 9.834 1.00 71.21 H new ATOM 725 N ARG A 49 65.117 -27.654 7.548 1.00 3.31 N ATOM 726 CA ARG A 49 66.514 -27.740 7.126 1.00 13.13 C ATOM 727 C ARG A 49 66.952 -26.452 6.419 1.00 0.04 C ATOM 728 O ARG A 49 68.039 -25.945 6.691 1.00 54.44 O ATOM 729 CB ARG A 49 66.774 -29.017 6.308 1.00 53.52 C ATOM 730 CG ARG A 49 66.227 -29.019 4.871 1.00 51.45 C ATOM 731 CD ARG A 49 67.262 -28.589 3.823 1.00 44.04 C ATOM 732 NE ARG A 49 68.333 -29.584 3.677 1.00 10.23 N ATOM 733 CZ ARG A 49 69.355 -29.486 2.811 1.00 43.14 C ATOM 734 NH1 ARG A 49 69.470 -28.418 2.007 1.00 71.20 N ATOM 735 NH2 ARG A 49 70.266 -30.466 2.749 1.00 62.25 N ATOM 0 H ARG A 49 64.478 -28.232 7.002 1.00 3.31 H new ATOM 0 HA ARG A 49 67.144 -27.827 8.011 1.00 13.13 H new ATOM 0 HB2 ARG A 49 67.850 -29.185 6.266 1.00 53.52 H new ATOM 0 HB3 ARG A 49 66.340 -29.862 6.842 1.00 53.52 H new ATOM 0 HG2 ARG A 49 65.869 -30.020 4.628 1.00 51.45 H new ATOM 0 HG3 ARG A 49 65.367 -28.351 4.817 1.00 51.45 H new ATOM 0 HD2 ARG A 49 66.768 -28.442 2.862 1.00 44.04 H new ATOM 0 HD3 ARG A 49 67.693 -27.630 4.109 1.00 44.04 H new ATOM 0 HE ARG A 49 68.298 -30.409 4.276 1.00 10.23 H new ATOM 0 HH11 ARG A 49 68.777 -27.670 2.050 1.00 71.20 H new ATOM 0 HH12 ARG A 49 70.250 -28.354 1.353 1.00 71.20 H new ATOM 0 HH21 ARG A 49 70.181 -31.280 3.357 1.00 62.25 H new ATOM 0 HH22 ARG A 49 71.045 -30.398 2.094 1.00 62.25 H new ATOM 749 N GLN A 50 66.108 -25.910 5.528 1.00 15.22 N ATOM 750 CA GLN A 50 66.366 -24.676 4.802 1.00 12.31 C ATOM 751 C GLN A 50 66.352 -23.475 5.749 1.00 4.33 C ATOM 752 O GLN A 50 67.210 -22.600 5.652 1.00 31.42 O ATOM 753 CB GLN A 50 65.297 -24.495 3.716 1.00 33.31 C ATOM 754 CG GLN A 50 65.271 -25.655 2.717 1.00 73.45 C ATOM 755 CD GLN A 50 64.113 -25.495 1.737 1.00 22.43 C ATOM 756 OE1 GLN A 50 64.212 -24.753 0.764 1.00 73.12 O ATOM 757 NE2 GLN A 50 63.003 -26.186 2.005 1.00 43.00 N ATOM 0 H GLN A 50 65.210 -26.333 5.293 1.00 15.22 H new ATOM 0 HA GLN A 50 67.353 -24.737 4.343 1.00 12.31 H new ATOM 0 HB2 GLN A 50 64.318 -24.403 4.187 1.00 33.31 H new ATOM 0 HB3 GLN A 50 65.482 -23.564 3.181 1.00 33.31 H new ATOM 0 HG2 GLN A 50 66.214 -25.693 2.171 1.00 73.45 H new ATOM 0 HG3 GLN A 50 65.174 -26.600 3.251 1.00 73.45 H new ATOM 0 HE21 GLN A 50 62.965 -26.791 2.825 1.00 43.00 H new ATOM 0 HE22 GLN A 50 62.193 -26.109 1.390 1.00 43.00 H new ATOM 766 N LEU A 51 65.367 -23.435 6.654 1.00 64.34 N ATOM 767 CA LEU A 51 65.164 -22.342 7.596 1.00 31.54 C ATOM 768 C LEU A 51 66.099 -22.490 8.800 1.00 11.22 C ATOM 769 O LEU A 51 66.378 -21.502 9.478 1.00 60.43 O ATOM 770 CB LEU A 51 63.691 -22.311 8.037 1.00 33.11 C ATOM 771 CG LEU A 51 62.734 -21.591 7.066 1.00 52.34 C ATOM 772 CD1 LEU A 51 62.886 -20.067 7.149 1.00 15.32 C ATOM 773 CD2 LEU A 51 62.880 -22.045 5.611 1.00 73.23 C ATOM 0 H LEU A 51 64.677 -24.180 6.749 1.00 64.34 H new ATOM 0 HA LEU A 51 65.402 -21.397 7.108 1.00 31.54 H new ATOM 0 HB2 LEU A 51 63.346 -23.336 8.170 1.00 33.11 H new ATOM 0 HB3 LEU A 51 63.629 -21.825 9.011 1.00 33.11 H new ATOM 0 HG LEU A 51 61.733 -21.873 7.393 1.00 52.34 H new ATOM 0 HD11 LEU A 51 62.196 -19.594 6.451 1.00 15.32 H new ATOM 0 HD12 LEU A 51 62.662 -19.734 8.162 1.00 15.32 H new ATOM 0 HD13 LEU A 51 63.908 -19.789 6.893 1.00 15.32 H new ATOM 0 HD21 LEU A 51 62.176 -21.496 4.986 1.00 73.23 H new ATOM 0 HD22 LEU A 51 63.897 -21.850 5.269 1.00 73.23 H new ATOM 0 HD23 LEU A 51 62.672 -23.113 5.540 1.00 73.23 H new ATOM 785 N ARG A 52 66.578 -23.713 9.058 1.00 42.34 N ATOM 786 CA ARG A 52 67.474 -24.073 10.145 1.00 52.35 C ATOM 787 C ARG A 52 66.796 -23.850 11.501 1.00 54.42 C ATOM 788 O ARG A 52 67.234 -23.007 12.282 1.00 13.04 O ATOM 789 CB ARG A 52 68.830 -23.359 10.017 1.00 32.35 C ATOM 790 CG ARG A 52 69.502 -23.673 8.672 1.00 51.14 C ATOM 791 CD ARG A 52 70.845 -22.952 8.530 1.00 3.42 C ATOM 792 NE ARG A 52 71.819 -23.412 9.529 1.00 24.13 N ATOM 793 CZ ARG A 52 73.057 -22.912 9.680 1.00 32.22 C ATOM 794 NH1 ARG A 52 73.502 -21.938 8.875 1.00 52.01 N ATOM 795 NH2 ARG A 52 73.852 -23.394 10.645 1.00 24.12 N ATOM 0 H ARG A 52 66.333 -24.516 8.478 1.00 42.34 H new ATOM 0 HA ARG A 52 67.694 -25.138 10.078 1.00 52.35 H new ATOM 0 HB2 ARG A 52 68.687 -22.283 10.112 1.00 32.35 H new ATOM 0 HB3 ARG A 52 69.484 -23.667 10.833 1.00 32.35 H new ATOM 0 HG2 ARG A 52 69.655 -24.749 8.584 1.00 51.14 H new ATOM 0 HG3 ARG A 52 68.842 -23.377 7.857 1.00 51.14 H new ATOM 0 HD2 ARG A 52 71.244 -23.120 7.529 1.00 3.42 H new ATOM 0 HD3 ARG A 52 70.694 -21.878 8.637 1.00 3.42 H new ATOM 0 HE ARG A 52 71.535 -24.166 10.154 1.00 24.13 H new ATOM 0 HH11 ARG A 52 72.899 -21.569 8.139 1.00 52.01 H new ATOM 0 HH12 ARG A 52 74.443 -21.565 8.998 1.00 52.01 H new ATOM 0 HH21 ARG A 52 73.516 -24.136 11.259 1.00 24.12 H new ATOM 0 HH22 ARG A 52 74.793 -23.019 10.765 1.00 24.12 H new ATOM 809 N VAL A 53 65.721 -24.608 11.767 1.00 62.01 N ATOM 810 CA VAL A 53 64.921 -24.500 12.985 1.00 44.01 C ATOM 811 C VAL A 53 64.740 -25.891 13.610 1.00 44.25 C ATOM 812 O VAL A 53 65.657 -26.372 14.274 1.00 1.13 O ATOM 813 CB VAL A 53 63.611 -23.732 12.701 1.00 4.44 C ATOM 814 CG1 VAL A 53 62.786 -23.512 13.978 1.00 43.44 C ATOM 815 CG2 VAL A 53 63.899 -22.349 12.100 1.00 61.05 C ATOM 0 H VAL A 53 65.382 -25.325 11.126 1.00 62.01 H new ATOM 0 HA VAL A 53 65.437 -23.905 13.738 1.00 44.01 H new ATOM 0 HB VAL A 53 63.050 -24.348 11.999 1.00 4.44 H new ATOM 0 HG11 VAL A 53 61.874 -22.968 13.733 1.00 43.44 H new ATOM 0 HG12 VAL A 53 62.527 -24.477 14.415 1.00 43.44 H new ATOM 0 HG13 VAL A 53 63.371 -22.935 14.694 1.00 43.44 H new ATOM 0 HG21 VAL A 53 62.959 -21.832 11.911 1.00 61.05 H new ATOM 0 HG22 VAL A 53 64.499 -21.766 12.799 1.00 61.05 H new ATOM 0 HG23 VAL A 53 64.444 -22.466 11.163 1.00 61.05 H new ATOM 825 N SER A 54 63.578 -26.530 13.426 1.00 52.41 N ATOM 826 CA SER A 54 63.253 -27.815 14.037 1.00 53.41 C ATOM 827 C SER A 54 62.103 -28.493 13.282 1.00 1.31 C ATOM 828 O SER A 54 62.360 -29.367 12.457 1.00 64.22 O ATOM 829 CB SER A 54 62.949 -27.625 15.532 1.00 14.52 C ATOM 830 OG SER A 54 62.544 -28.845 16.116 1.00 74.20 O ATOM 0 H SER A 54 62.830 -26.160 12.840 1.00 52.41 H new ATOM 0 HA SER A 54 64.113 -28.481 13.964 1.00 53.41 H new ATOM 0 HB2 SER A 54 63.834 -27.247 16.043 1.00 14.52 H new ATOM 0 HB3 SER A 54 62.165 -26.878 15.657 1.00 14.52 H new ATOM 0 HG SER A 54 62.356 -28.706 17.068 1.00 74.20 H new ATOM 836 N HIS A 55 60.851 -28.104 13.570 1.00 73.44 N ATOM 837 CA HIS A 55 59.643 -28.654 12.958 1.00 15.34 C ATOM 838 C HIS A 55 58.415 -27.902 13.474 1.00 45.10 C ATOM 839 O HIS A 55 57.670 -27.327 12.683 1.00 64.44 O ATOM 840 CB HIS A 55 59.512 -30.163 13.242 1.00 63.54 C ATOM 841 CG HIS A 55 58.221 -30.790 12.769 1.00 10.14 C ATOM 842 ND1 HIS A 55 57.372 -30.194 11.844 1.00 2.25 N ATOM 843 CD2 HIS A 55 57.616 -31.980 13.095 1.00 33.31 C ATOM 844 CE1 HIS A 55 56.315 -31.009 11.689 1.00 40.40 C ATOM 845 NE2 HIS A 55 56.408 -32.121 12.418 1.00 43.53 N ATOM 0 H HIS A 55 60.651 -27.376 14.256 1.00 73.44 H new ATOM 0 HA HIS A 55 59.713 -28.526 11.878 1.00 15.34 H new ATOM 0 HB2 HIS A 55 60.346 -30.681 12.768 1.00 63.54 H new ATOM 0 HB3 HIS A 55 59.606 -30.325 14.316 1.00 63.54 H new ATOM 0 HD2 HIS A 55 58.022 -32.707 13.783 1.00 33.31 H new ATOM 0 HE1 HIS A 55 55.479 -30.787 11.042 1.00 40.40 H new ATOM 0 HE2 HIS A 55 55.747 -32.896 12.468 1.00 43.53 H new ATOM 853 N GLY A 56 58.175 -27.956 14.790 1.00 24.11 N ATOM 854 CA GLY A 56 56.947 -27.475 15.409 1.00 4.32 C ATOM 855 C GLY A 56 56.722 -25.984 15.164 1.00 14.22 C ATOM 856 O GLY A 56 55.643 -25.579 14.737 1.00 75.30 O ATOM 0 H GLY A 56 58.842 -28.342 15.459 1.00 24.11 H new ATOM 0 HA2 GLY A 56 56.100 -28.038 15.017 1.00 4.32 H new ATOM 0 HA3 GLY A 56 56.985 -27.663 16.482 1.00 4.32 H new ATOM 860 N CYS A 57 57.752 -25.172 15.428 1.00 43.43 N ATOM 861 CA CYS A 57 57.723 -23.734 15.216 1.00 21.20 C ATOM 862 C CYS A 57 57.443 -23.423 13.744 1.00 60.32 C ATOM 863 O CYS A 57 56.593 -22.591 13.432 1.00 70.21 O ATOM 864 CB CYS A 57 59.058 -23.140 15.677 1.00 41.15 C ATOM 865 SG CYS A 57 58.981 -21.334 15.619 1.00 4.01 S ATOM 0 H CYS A 57 58.640 -25.508 15.801 1.00 43.43 H new ATOM 0 HA CYS A 57 56.921 -23.283 15.800 1.00 21.20 H new ATOM 0 HB2 CYS A 57 59.282 -23.471 16.691 1.00 41.15 H new ATOM 0 HB3 CYS A 57 59.865 -23.499 15.039 1.00 41.15 H new ATOM 0 HG CYS A 57 60.116 -20.838 16.013 1.00 4.01 H new ATOM 871 N VAL A 58 58.146 -24.119 12.844 1.00 3.24 N ATOM 872 CA VAL A 58 58.010 -23.955 11.407 1.00 65.31 C ATOM 873 C VAL A 58 56.580 -24.266 10.961 1.00 23.44 C ATOM 874 O VAL A 58 56.020 -23.509 10.177 1.00 14.52 O ATOM 875 CB VAL A 58 59.074 -24.804 10.691 1.00 73.33 C ATOM 876 CG1 VAL A 58 58.929 -24.750 9.166 1.00 4.44 C ATOM 877 CG2 VAL A 58 60.465 -24.279 11.067 1.00 74.51 C ATOM 0 H VAL A 58 58.836 -24.823 13.107 1.00 3.24 H new ATOM 0 HA VAL A 58 58.189 -22.916 11.129 1.00 65.31 H new ATOM 0 HB VAL A 58 58.940 -25.838 11.007 1.00 73.33 H new ATOM 0 HG11 VAL A 58 59.702 -25.365 8.705 1.00 4.44 H new ATOM 0 HG12 VAL A 58 57.947 -25.127 8.880 1.00 4.44 H new ATOM 0 HG13 VAL A 58 59.034 -23.720 8.827 1.00 4.44 H new ATOM 0 HG21 VAL A 58 61.227 -24.875 10.564 1.00 74.51 H new ATOM 0 HG22 VAL A 58 60.556 -23.238 10.759 1.00 74.51 H new ATOM 0 HG23 VAL A 58 60.602 -24.351 12.146 1.00 74.51 H new ATOM 887 N SER A 59 55.970 -25.341 11.476 1.00 62.52 N ATOM 888 CA SER A 59 54.589 -25.699 11.169 1.00 11.04 C ATOM 889 C SER A 59 53.631 -24.546 11.489 1.00 13.23 C ATOM 890 O SER A 59 52.817 -24.164 10.649 1.00 23.12 O ATOM 891 CB SER A 59 54.212 -26.984 11.918 1.00 45.01 C ATOM 892 OG SER A 59 52.946 -27.440 11.494 1.00 65.33 O ATOM 0 H SER A 59 56.427 -25.987 12.120 1.00 62.52 H new ATOM 0 HA SER A 59 54.500 -25.888 10.099 1.00 11.04 H new ATOM 0 HB2 SER A 59 54.963 -27.753 11.737 1.00 45.01 H new ATOM 0 HB3 SER A 59 54.199 -26.797 12.992 1.00 45.01 H new ATOM 0 HG SER A 59 52.716 -28.261 11.977 1.00 65.33 H new ATOM 898 N LYS A 60 53.754 -23.975 12.694 1.00 32.15 N ATOM 899 CA LYS A 60 52.934 -22.856 13.146 1.00 25.33 C ATOM 900 C LYS A 60 53.118 -21.635 12.236 1.00 13.23 C ATOM 901 O LYS A 60 52.130 -21.014 11.845 1.00 65.02 O ATOM 902 CB LYS A 60 53.268 -22.525 14.607 1.00 22.51 C ATOM 903 CG LYS A 60 52.875 -23.673 15.545 1.00 2.42 C ATOM 904 CD LYS A 60 53.393 -23.412 16.965 1.00 32.53 C ATOM 905 CE LYS A 60 53.074 -24.601 17.878 1.00 63.03 C ATOM 906 NZ LYS A 60 53.637 -24.417 19.227 1.00 2.41 N ATOM 0 H LYS A 60 54.435 -24.285 13.387 1.00 32.15 H new ATOM 0 HA LYS A 60 51.884 -23.142 13.089 1.00 25.33 H new ATOM 0 HB2 LYS A 60 54.335 -22.325 14.701 1.00 22.51 H new ATOM 0 HB3 LYS A 60 52.746 -21.615 14.904 1.00 22.51 H new ATOM 0 HG2 LYS A 60 51.790 -23.781 15.562 1.00 2.42 H new ATOM 0 HG3 LYS A 60 53.283 -24.612 15.170 1.00 2.42 H new ATOM 0 HD2 LYS A 60 54.470 -23.243 16.941 1.00 32.53 H new ATOM 0 HD3 LYS A 60 52.937 -22.506 17.364 1.00 32.53 H new ATOM 0 HE2 LYS A 60 51.994 -24.726 17.948 1.00 63.03 H new ATOM 0 HE3 LYS A 60 53.473 -25.515 17.438 1.00 63.03 H new ATOM 0 HZ1 LYS A 60 53.401 -25.241 19.817 1.00 2.41 H new ATOM 0 HZ2 LYS A 60 54.671 -24.322 19.162 1.00 2.41 H new ATOM 0 HZ3 LYS A 60 53.237 -23.558 19.656 1.00 2.41 H new ATOM 920 N ILE A 61 54.370 -21.300 11.896 1.00 32.32 N ATOM 921 CA ILE A 61 54.705 -20.173 11.027 1.00 43.44 C ATOM 922 C ILE A 61 54.084 -20.358 9.638 1.00 3.41 C ATOM 923 O ILE A 61 53.410 -19.452 9.151 1.00 63.50 O ATOM 924 CB ILE A 61 56.235 -19.985 10.966 1.00 12.13 C ATOM 925 CG1 ILE A 61 56.744 -19.459 12.322 1.00 25.12 C ATOM 926 CG2 ILE A 61 56.630 -19.005 9.848 1.00 34.24 C ATOM 927 CD1 ILE A 61 58.263 -19.592 12.483 1.00 63.30 C ATOM 0 H ILE A 61 55.188 -21.814 12.224 1.00 32.32 H new ATOM 0 HA ILE A 61 54.281 -19.260 11.444 1.00 43.44 H new ATOM 0 HB ILE A 61 56.691 -20.951 10.749 1.00 12.13 H new ATOM 0 HG12 ILE A 61 56.463 -18.411 12.428 1.00 25.12 H new ATOM 0 HG13 ILE A 61 56.250 -20.004 13.126 1.00 25.12 H new ATOM 0 HG21 ILE A 61 57.714 -18.892 9.829 1.00 34.24 H new ATOM 0 HG22 ILE A 61 56.289 -19.392 8.888 1.00 34.24 H new ATOM 0 HG23 ILE A 61 56.168 -18.036 10.034 1.00 34.24 H new ATOM 0 HD11 ILE A 61 58.561 -19.205 13.457 1.00 63.30 H new ATOM 0 HD12 ILE A 61 58.546 -20.642 12.408 1.00 63.30 H new ATOM 0 HD13 ILE A 61 58.763 -19.024 11.699 1.00 63.30 H new ATOM 939 N LEU A 62 54.319 -21.516 9.007 1.00 62.23 N ATOM 940 CA LEU A 62 53.783 -21.868 7.696 1.00 61.22 C ATOM 941 C LEU A 62 52.270 -21.660 7.666 1.00 53.11 C ATOM 942 O LEU A 62 51.770 -20.939 6.806 1.00 52.33 O ATOM 943 CB LEU A 62 54.148 -23.322 7.339 1.00 20.02 C ATOM 944 CG LEU A 62 55.389 -23.483 6.441 1.00 53.12 C ATOM 945 CD1 LEU A 62 55.076 -23.120 4.985 1.00 44.22 C ATOM 946 CD2 LEU A 62 56.611 -22.687 6.915 1.00 1.50 C ATOM 0 H LEU A 62 54.903 -22.249 9.409 1.00 62.23 H new ATOM 0 HA LEU A 62 54.230 -21.213 6.948 1.00 61.22 H new ATOM 0 HB2 LEU A 62 54.313 -23.876 8.263 1.00 20.02 H new ATOM 0 HB3 LEU A 62 53.295 -23.782 6.840 1.00 20.02 H new ATOM 0 HG LEU A 62 55.650 -24.539 6.512 1.00 53.12 H new ATOM 0 HD11 LEU A 62 55.973 -23.244 4.378 1.00 44.22 H new ATOM 0 HD12 LEU A 62 54.289 -23.774 4.608 1.00 44.22 H new ATOM 0 HD13 LEU A 62 54.743 -22.083 4.932 1.00 44.22 H new ATOM 0 HD21 LEU A 62 57.442 -22.854 6.230 1.00 1.50 H new ATOM 0 HD22 LEU A 62 56.367 -21.625 6.938 1.00 1.50 H new ATOM 0 HD23 LEU A 62 56.894 -23.016 7.915 1.00 1.50 H new ATOM 958 N GLY A 63 51.547 -22.266 8.613 1.00 74.20 N ATOM 959 CA GLY A 63 50.117 -22.055 8.724 1.00 0.34 C ATOM 960 C GLY A 63 49.500 -23.003 9.742 1.00 52.33 C ATOM 961 O GLY A 63 49.820 -24.190 9.766 1.00 73.40 O ATOM 0 H GLY A 63 51.936 -22.903 9.308 1.00 74.20 H new ATOM 0 HA2 GLY A 63 49.920 -21.024 9.017 1.00 0.34 H new ATOM 0 HA3 GLY A 63 49.648 -22.205 7.752 1.00 0.34 H new ATOM 1314 N LYS A 87 -0.733 2.093 3.521 1.00 23.22 N ATOM 1315 CA LYS A 87 -1.153 1.451 2.283 1.00 23.02 C ATOM 1316 C LYS A 87 -1.599 -0.004 2.506 1.00 41.34 C ATOM 1317 O LYS A 87 -2.363 -0.532 1.702 1.00 44.52 O ATOM 1318 CB LYS A 87 -0.030 1.557 1.243 1.00 43.12 C ATOM 1319 CG LYS A 87 -0.580 1.377 -0.177 1.00 34.04 C ATOM 1320 CD LYS A 87 0.508 1.615 -1.229 1.00 25.40 C ATOM 1321 CE LYS A 87 -0.022 1.389 -2.653 1.00 3.32 C ATOM 1322 NZ LYS A 87 -1.149 2.281 -2.983 1.00 23.52 N ATOM 0 HA LYS A 87 -2.030 1.975 1.902 1.00 23.02 H new ATOM 0 HB2 LYS A 87 0.459 2.528 1.328 1.00 43.12 H new ATOM 0 HB3 LYS A 87 0.728 0.800 1.442 1.00 43.12 H new ATOM 0 HG2 LYS A 87 -0.983 0.370 -0.288 1.00 34.04 H new ATOM 0 HG3 LYS A 87 -1.405 2.070 -0.340 1.00 34.04 H new ATOM 0 HD2 LYS A 87 0.886 2.633 -1.138 1.00 25.40 H new ATOM 0 HD3 LYS A 87 1.348 0.946 -1.042 1.00 25.40 H new ATOM 0 HE2 LYS A 87 0.785 1.549 -3.368 1.00 3.32 H new ATOM 0 HE3 LYS A 87 -0.340 0.352 -2.759 1.00 3.32 H new ATOM 0 HZ1 LYS A 87 -1.349 2.225 -4.002 1.00 23.52 H new ATOM 0 HZ2 LYS A 87 -1.991 1.989 -2.448 1.00 23.52 H new ATOM 0 HZ3 LYS A 87 -0.902 3.260 -2.732 1.00 23.52 H new ATOM 1336 N VAL A 88 -1.166 -0.641 3.605 1.00 41.34 N ATOM 1337 CA VAL A 88 -1.685 -1.933 4.044 1.00 43.01 C ATOM 1338 C VAL A 88 -3.218 -1.924 4.084 1.00 52.22 C ATOM 1339 O VAL A 88 -3.833 -2.895 3.650 1.00 61.15 O ATOM 1340 CB VAL A 88 -1.082 -2.318 5.409 1.00 65.52 C ATOM 1341 CG1 VAL A 88 -1.767 -3.558 6.005 1.00 11.41 C ATOM 1342 CG2 VAL A 88 0.414 -2.628 5.270 1.00 52.31 C ATOM 0 H VAL A 88 -0.440 -0.265 4.215 1.00 41.34 H new ATOM 0 HA VAL A 88 -1.386 -2.692 3.321 1.00 43.01 H new ATOM 0 HB VAL A 88 -1.237 -1.465 6.070 1.00 65.52 H new ATOM 0 HG11 VAL A 88 -1.314 -3.797 6.967 1.00 11.41 H new ATOM 0 HG12 VAL A 88 -2.829 -3.355 6.145 1.00 11.41 H new ATOM 0 HG13 VAL A 88 -1.645 -4.402 5.327 1.00 11.41 H new ATOM 0 HG21 VAL A 88 0.822 -2.898 6.244 1.00 52.31 H new ATOM 0 HG22 VAL A 88 0.551 -3.458 4.577 1.00 52.31 H new ATOM 0 HG23 VAL A 88 0.934 -1.749 4.890 1.00 52.31 H new ATOM 1352 N VAL A 89 -3.832 -0.837 4.579 1.00 4.54 N ATOM 1353 CA VAL A 89 -5.281 -0.689 4.708 1.00 34.55 C ATOM 1354 C VAL A 89 -5.997 -0.976 3.381 1.00 71.14 C ATOM 1355 O VAL A 89 -7.044 -1.625 3.372 1.00 0.53 O ATOM 1356 CB VAL A 89 -5.630 0.709 5.259 1.00 65.20 C ATOM 1357 CG1 VAL A 89 -7.147 0.911 5.381 1.00 0.32 C ATOM 1358 CG2 VAL A 89 -5.018 0.918 6.654 1.00 33.22 C ATOM 0 H VAL A 89 -3.317 -0.020 4.907 1.00 4.54 H new ATOM 0 HA VAL A 89 -5.639 -1.430 5.422 1.00 34.55 H new ATOM 0 HB VAL A 89 -5.220 1.428 4.550 1.00 65.20 H new ATOM 0 HG11 VAL A 89 -7.351 1.908 5.773 1.00 0.32 H new ATOM 0 HG12 VAL A 89 -7.608 0.805 4.399 1.00 0.32 H new ATOM 0 HG13 VAL A 89 -7.560 0.164 6.058 1.00 0.32 H new ATOM 0 HG21 VAL A 89 -5.278 1.911 7.021 1.00 33.22 H new ATOM 0 HG22 VAL A 89 -5.408 0.165 7.339 1.00 33.22 H new ATOM 0 HG23 VAL A 89 -3.934 0.827 6.593 1.00 33.22 H new ATOM 1368 N GLU A 90 -5.422 -0.514 2.261 1.00 63.21 N ATOM 1369 CA GLU A 90 -5.974 -0.712 0.927 1.00 51.24 C ATOM 1370 C GLU A 90 -6.136 -2.196 0.588 1.00 60.01 C ATOM 1371 O GLU A 90 -7.063 -2.552 -0.131 1.00 20.42 O ATOM 1372 CB GLU A 90 -5.085 -0.043 -0.127 1.00 60.43 C ATOM 1373 CG GLU A 90 -4.980 1.473 0.083 1.00 1.10 C ATOM 1374 CD GLU A 90 -4.023 2.133 -0.907 1.00 51.01 C ATOM 1375 OE1 GLU A 90 -3.543 1.426 -1.822 1.00 2.32 O ATOM 1376 OE2 GLU A 90 -3.759 3.340 -0.725 1.00 54.43 O ATOM 0 H GLU A 90 -4.549 0.014 2.264 1.00 63.21 H new ATOM 0 HA GLU A 90 -6.962 -0.252 0.920 1.00 51.24 H new ATOM 0 HB2 GLU A 90 -4.088 -0.483 -0.092 1.00 60.43 H new ATOM 0 HB3 GLU A 90 -5.487 -0.244 -1.120 1.00 60.43 H new ATOM 0 HG2 GLU A 90 -5.969 1.920 -0.018 1.00 1.10 H new ATOM 0 HG3 GLU A 90 -4.642 1.674 1.100 1.00 1.10 H new ATOM 1383 N LYS A 91 -5.245 -3.056 1.098 1.00 4.33 N ATOM 1384 CA LYS A 91 -5.236 -4.482 0.795 1.00 32.05 C ATOM 1385 C LYS A 91 -6.466 -5.178 1.379 1.00 60.12 C ATOM 1386 O LYS A 91 -7.038 -6.055 0.730 1.00 13.14 O ATOM 1387 CB LYS A 91 -3.935 -5.131 1.287 1.00 74.03 C ATOM 1388 CG LYS A 91 -2.663 -4.377 0.866 1.00 74.00 C ATOM 1389 CD LYS A 91 -2.548 -4.216 -0.658 1.00 44.02 C ATOM 1390 CE LYS A 91 -1.279 -3.456 -1.056 1.00 2.23 C ATOM 1391 NZ LYS A 91 -0.050 -4.185 -0.692 1.00 24.01 N ATOM 0 H LYS A 91 -4.504 -2.772 1.739 1.00 4.33 H new ATOM 0 HA LYS A 91 -5.280 -4.601 -0.288 1.00 32.05 H new ATOM 0 HB2 LYS A 91 -3.963 -5.197 2.375 1.00 74.03 H new ATOM 0 HB3 LYS A 91 -3.883 -6.151 0.907 1.00 74.03 H new ATOM 0 HG2 LYS A 91 -2.658 -3.392 1.333 1.00 74.00 H new ATOM 0 HG3 LYS A 91 -1.789 -4.911 1.238 1.00 74.00 H new ATOM 0 HD2 LYS A 91 -2.545 -5.199 -1.128 1.00 44.02 H new ATOM 0 HD3 LYS A 91 -3.423 -3.685 -1.034 1.00 44.02 H new ATOM 0 HE2 LYS A 91 -1.288 -3.278 -2.131 1.00 2.23 H new ATOM 0 HE3 LYS A 91 -1.276 -2.480 -0.571 1.00 2.23 H new ATOM 0 HZ1 LYS A 91 0.773 -3.710 -1.113 1.00 24.01 H new ATOM 0 HZ2 LYS A 91 0.051 -4.200 0.343 1.00 24.01 H new ATOM 0 HZ3 LYS A 91 -0.106 -5.160 -1.048 1.00 24.01 H new ATOM 1405 N ILE A 92 -6.909 -4.767 2.576 1.00 14.10 N ATOM 1406 CA ILE A 92 -8.168 -5.238 3.129 1.00 44.51 C ATOM 1407 C ILE A 92 -9.312 -4.751 2.233 1.00 73.01 C ATOM 1408 O ILE A 92 -10.270 -5.484 1.999 1.00 23.10 O ATOM 1409 CB ILE A 92 -8.339 -4.778 4.588 1.00 13.45 C ATOM 1410 CG1 ILE A 92 -7.182 -5.241 5.496 1.00 31.21 C ATOM 1411 CG2 ILE A 92 -9.654 -5.343 5.138 1.00 22.21 C ATOM 1412 CD1 ILE A 92 -6.197 -4.112 5.784 1.00 62.34 C ATOM 0 H ILE A 92 -6.407 -4.109 3.173 1.00 14.10 H new ATOM 0 HA ILE A 92 -8.178 -6.328 3.149 1.00 44.51 H new ATOM 0 HB ILE A 92 -8.343 -3.688 4.588 1.00 13.45 H new ATOM 0 HG12 ILE A 92 -7.586 -5.618 6.435 1.00 31.21 H new ATOM 0 HG13 ILE A 92 -6.656 -6.069 5.020 1.00 31.21 H new ATOM 0 HG21 ILE A 92 -9.784 -5.022 6.172 1.00 22.21 H new ATOM 0 HG22 ILE A 92 -10.487 -4.977 4.537 1.00 22.21 H new ATOM 0 HG23 ILE A 92 -9.628 -6.432 5.097 1.00 22.21 H new ATOM 0 HD11 ILE A 92 -5.398 -4.481 6.427 1.00 62.34 H new ATOM 0 HD12 ILE A 92 -5.772 -3.752 4.847 1.00 62.34 H new ATOM 0 HD13 ILE A 92 -6.717 -3.295 6.284 1.00 62.34 H new ATOM 1424 N GLY A 93 -9.202 -3.525 1.707 1.00 2.52 N ATOM 1425 CA GLY A 93 -10.104 -2.987 0.700 1.00 13.44 C ATOM 1426 C GLY A 93 -10.191 -3.886 -0.538 1.00 64.03 C ATOM 1427 O GLY A 93 -11.285 -4.164 -1.027 1.00 53.11 O ATOM 0 H GLY A 93 -8.467 -2.872 1.979 1.00 2.52 H new ATOM 0 HA2 GLY A 93 -11.098 -2.868 1.131 1.00 13.44 H new ATOM 0 HA3 GLY A 93 -9.764 -1.995 0.403 1.00 13.44 H new ATOM 1431 N ASP A 94 -9.037 -4.328 -1.047 1.00 54.11 N ATOM 1432 CA ASP A 94 -8.921 -5.046 -2.305 1.00 60.54 C ATOM 1433 C ASP A 94 -9.552 -6.433 -2.256 1.00 2.40 C ATOM 1434 O ASP A 94 -10.189 -6.827 -3.226 1.00 32.13 O ATOM 1435 CB ASP A 94 -7.449 -5.146 -2.718 1.00 2.13 C ATOM 1436 CG ASP A 94 -6.853 -3.795 -3.108 1.00 2.41 C ATOM 1437 OD1 ASP A 94 -7.564 -3.035 -3.803 1.00 24.33 O ATOM 1438 OD2 ASP A 94 -5.689 -3.553 -2.721 1.00 20.33 O ATOM 0 H ASP A 94 -8.141 -4.190 -0.580 1.00 54.11 H new ATOM 0 HA ASP A 94 -9.475 -4.475 -3.050 1.00 60.54 H new ATOM 0 HB2 ASP A 94 -6.873 -5.569 -1.895 1.00 2.13 H new ATOM 0 HB3 ASP A 94 -7.358 -5.835 -3.558 1.00 2.13 H new ATOM 1443 N TYR A 95 -9.343 -7.196 -1.177 1.00 12.33 N ATOM 1444 CA TYR A 95 -9.668 -8.613 -1.163 1.00 73.35 C ATOM 1445 C TYR A 95 -11.132 -8.927 -1.508 1.00 62.12 C ATOM 1446 O TYR A 95 -11.364 -9.919 -2.194 1.00 32.33 O ATOM 1447 CB TYR A 95 -9.242 -9.234 0.167 1.00 74.10 C ATOM 1448 CG TYR A 95 -7.754 -9.317 0.476 1.00 65.14 C ATOM 1449 CD1 TYR A 95 -6.766 -8.908 -0.446 1.00 21.35 C ATOM 1450 CD2 TYR A 95 -7.359 -9.953 1.667 1.00 72.21 C ATOM 1451 CE1 TYR A 95 -5.407 -9.143 -0.177 1.00 2.35 C ATOM 1452 CE2 TYR A 95 -6.006 -10.244 1.904 1.00 61.13 C ATOM 1453 CZ TYR A 95 -5.027 -9.827 0.989 1.00 31.30 C ATOM 1454 OH TYR A 95 -3.711 -10.090 1.231 1.00 2.42 O ATOM 0 H TYR A 95 -8.949 -6.847 -0.303 1.00 12.33 H new ATOM 0 HA TYR A 95 -9.097 -9.074 -1.969 1.00 73.35 H new ATOM 0 HB2 TYR A 95 -9.717 -8.667 0.967 1.00 74.10 H new ATOM 0 HB3 TYR A 95 -9.648 -10.245 0.208 1.00 74.10 H new ATOM 0 HD1 TYR A 95 -7.056 -8.413 -1.361 1.00 21.35 H new ATOM 0 HD2 TYR A 95 -8.102 -10.219 2.404 1.00 72.21 H new ATOM 0 HE1 TYR A 95 -4.653 -8.797 -0.869 1.00 2.35 H new ATOM 0 HE2 TYR A 95 -5.719 -10.789 2.791 1.00 61.13 H new ATOM 0 HH TYR A 95 -3.158 -9.390 0.826 1.00 2.42 H new ATOM 1464 N LYS A 96 -12.120 -8.113 -1.100 1.00 44.30 N ATOM 1465 CA LYS A 96 -13.497 -8.317 -1.505 1.00 43.21 C ATOM 1466 C LYS A 96 -13.711 -7.999 -2.988 1.00 14.34 C ATOM 1467 O LYS A 96 -14.543 -8.639 -3.627 1.00 61.33 O ATOM 1468 CB LYS A 96 -14.468 -7.534 -0.618 1.00 54.21 C ATOM 1469 CG LYS A 96 -14.160 -6.063 -0.318 1.00 22.32 C ATOM 1470 CD LYS A 96 -13.532 -5.902 1.069 1.00 64.34 C ATOM 1471 CE LYS A 96 -13.593 -4.442 1.520 1.00 71.31 C ATOM 1472 NZ LYS A 96 -12.824 -4.238 2.759 1.00 21.31 N ATOM 0 H LYS A 96 -11.977 -7.309 -0.489 1.00 44.30 H new ATOM 0 HA LYS A 96 -13.714 -9.377 -1.370 1.00 43.21 H new ATOM 0 HB2 LYS A 96 -15.452 -7.578 -1.084 1.00 54.21 H new ATOM 0 HB3 LYS A 96 -14.543 -8.058 0.335 1.00 54.21 H new ATOM 0 HG2 LYS A 96 -13.482 -5.669 -1.075 1.00 22.32 H new ATOM 0 HG3 LYS A 96 -15.078 -5.477 -0.375 1.00 22.32 H new ATOM 0 HD2 LYS A 96 -14.056 -6.533 1.787 1.00 64.34 H new ATOM 0 HD3 LYS A 96 -12.495 -6.239 1.046 1.00 64.34 H new ATOM 0 HE2 LYS A 96 -13.199 -3.798 0.734 1.00 71.31 H new ATOM 0 HE3 LYS A 96 -14.631 -4.151 1.680 1.00 71.31 H new ATOM 0 HZ1 LYS A 96 -12.725 -3.219 2.942 1.00 21.31 H new ATOM 0 HZ2 LYS A 96 -13.322 -4.686 3.555 1.00 21.31 H new ATOM 0 HZ3 LYS A 96 -11.881 -4.665 2.657 1.00 21.31 H new ATOM 1486 N ARG A 97 -12.968 -7.033 -3.544 1.00 45.12 N ATOM 1487 CA ARG A 97 -13.010 -6.733 -4.969 1.00 1.43 C ATOM 1488 C ARG A 97 -12.457 -7.913 -5.777 1.00 54.55 C ATOM 1489 O ARG A 97 -12.969 -8.198 -6.858 1.00 22.32 O ATOM 1490 CB ARG A 97 -12.247 -5.436 -5.285 1.00 14.14 C ATOM 1491 CG ARG A 97 -12.830 -4.209 -4.567 1.00 61.33 C ATOM 1492 CD ARG A 97 -11.917 -2.985 -4.723 1.00 43.11 C ATOM 1493 NE ARG A 97 -11.625 -2.701 -6.138 1.00 64.22 N ATOM 1494 CZ ARG A 97 -10.419 -2.701 -6.736 1.00 51.13 C ATOM 1495 NH1 ARG A 97 -9.278 -2.903 -6.058 1.00 72.13 N ATOM 1496 NH2 ARG A 97 -10.354 -2.491 -8.057 1.00 41.52 N ATOM 0 H ARG A 97 -12.325 -6.443 -3.015 1.00 45.12 H new ATOM 0 HA ARG A 97 -14.050 -6.578 -5.257 1.00 1.43 H new ATOM 0 HB2 ARG A 97 -11.202 -5.556 -4.998 1.00 14.14 H new ATOM 0 HB3 ARG A 97 -12.264 -5.263 -6.361 1.00 14.14 H new ATOM 0 HG2 ARG A 97 -13.817 -3.983 -4.971 1.00 61.33 H new ATOM 0 HG3 ARG A 97 -12.963 -4.434 -3.509 1.00 61.33 H new ATOM 0 HD2 ARG A 97 -12.392 -2.116 -4.268 1.00 43.11 H new ATOM 0 HD3 ARG A 97 -10.984 -3.156 -4.186 1.00 43.11 H new ATOM 0 HE ARG A 97 -12.425 -2.480 -6.731 1.00 64.22 H new ATOM 0 HH11 ARG A 97 -9.305 -3.064 -5.051 1.00 72.13 H new ATOM 0 HH12 ARG A 97 -8.384 -2.895 -6.550 1.00 72.13 H new ATOM 0 HH21 ARG A 97 -11.209 -2.335 -8.591 1.00 41.52 H new ATOM 0 HH22 ARG A 97 -9.450 -2.487 -8.529 1.00 41.52 H new ATOM 1510 N GLN A 98 -11.427 -8.602 -5.261 1.00 62.23 N ATOM 1511 CA GLN A 98 -10.847 -9.766 -5.926 1.00 21.11 C ATOM 1512 C GLN A 98 -11.788 -10.970 -5.820 1.00 0.22 C ATOM 1513 O GLN A 98 -12.104 -11.603 -6.826 1.00 13.42 O ATOM 1514 CB GLN A 98 -9.464 -10.124 -5.352 1.00 10.41 C ATOM 1515 CG GLN A 98 -8.484 -8.954 -5.192 1.00 51.10 C ATOM 1516 CD GLN A 98 -8.547 -7.935 -6.322 1.00 4.05 C ATOM 1517 OE1 GLN A 98 -8.258 -8.252 -7.472 1.00 3.03 O ATOM 1518 NE2 GLN A 98 -8.910 -6.698 -5.987 1.00 61.23 N ATOM 0 H GLN A 98 -10.979 -8.365 -4.376 1.00 62.23 H new ATOM 0 HA GLN A 98 -10.715 -9.507 -6.976 1.00 21.11 H new ATOM 0 HB2 GLN A 98 -9.606 -10.590 -4.377 1.00 10.41 H new ATOM 0 HB3 GLN A 98 -9.005 -10.872 -5.999 1.00 10.41 H new ATOM 0 HG2 GLN A 98 -8.689 -8.448 -4.248 1.00 51.10 H new ATOM 0 HG3 GLN A 98 -7.470 -9.349 -5.128 1.00 51.10 H new ATOM 0 HE21 GLN A 98 -9.142 -6.479 -5.018 1.00 61.23 H new ATOM 0 HE22 GLN A 98 -8.956 -5.969 -6.699 1.00 61.23 H new ATOM 1527 N ASN A 99 -12.214 -11.293 -4.593 1.00 75.22 N ATOM 1528 CA ASN A 99 -13.037 -12.448 -4.278 1.00 74.11 C ATOM 1529 C ASN A 99 -14.441 -12.280 -4.874 1.00 72.50 C ATOM 1530 O ASN A 99 -14.900 -11.151 -5.037 1.00 20.35 O ATOM 1531 CB ASN A 99 -13.102 -12.592 -2.751 1.00 13.44 C ATOM 1532 CG ASN A 99 -11.759 -12.965 -2.117 1.00 63.31 C ATOM 1533 OD1 ASN A 99 -10.780 -13.240 -2.807 1.00 10.52 O ATOM 1534 ND2 ASN A 99 -11.712 -12.981 -0.785 1.00 43.05 N ATOM 0 H ASN A 99 -11.983 -10.734 -3.771 1.00 75.22 H new ATOM 0 HA ASN A 99 -12.603 -13.349 -4.711 1.00 74.11 H new ATOM 0 HB2 ASN A 99 -13.451 -11.654 -2.320 1.00 13.44 H new ATOM 0 HB3 ASN A 99 -13.839 -13.353 -2.496 1.00 13.44 H new ATOM 0 HD21 ASN A 99 -10.844 -13.227 -0.308 1.00 43.05 H new ATOM 0 HD22 ASN A 99 -12.544 -12.747 -0.243 1.00 43.05 H new ATOM 1541 N PRO A 100 -15.132 -13.381 -5.217 1.00 44.04 N ATOM 1542 CA PRO A 100 -16.414 -13.324 -5.902 1.00 65.35 C ATOM 1543 C PRO A 100 -17.509 -12.725 -5.015 1.00 31.15 C ATOM 1544 O PRO A 100 -18.095 -11.708 -5.382 1.00 11.44 O ATOM 1545 CB PRO A 100 -16.715 -14.762 -6.346 1.00 62.20 C ATOM 1546 CG PRO A 100 -15.893 -15.630 -5.393 1.00 2.51 C ATOM 1547 CD PRO A 100 -14.676 -14.756 -5.089 1.00 45.33 C ATOM 0 HA PRO A 100 -16.380 -12.660 -6.766 1.00 65.35 H new ATOM 0 HB2 PRO A 100 -17.779 -14.987 -6.272 1.00 62.20 H new ATOM 0 HB3 PRO A 100 -16.426 -14.927 -7.384 1.00 62.20 H new ATOM 0 HG2 PRO A 100 -16.450 -15.874 -4.488 1.00 2.51 H new ATOM 0 HG3 PRO A 100 -15.606 -16.575 -5.855 1.00 2.51 H new ATOM 0 HD2 PRO A 100 -14.296 -14.950 -4.086 1.00 45.33 H new ATOM 0 HD3 PRO A 100 -13.862 -14.964 -5.784 1.00 45.33 H new ATOM 1555 N THR A 101 -17.798 -13.353 -3.868 1.00 14.11 N ATOM 1556 CA THR A 101 -18.883 -12.964 -2.977 1.00 1.30 C ATOM 1557 C THR A 101 -18.397 -12.959 -1.526 1.00 55.32 C ATOM 1558 O THR A 101 -18.909 -13.707 -0.694 1.00 25.42 O ATOM 1559 CB THR A 101 -20.076 -13.911 -3.186 1.00 32.25 C ATOM 1560 OG1 THR A 101 -19.696 -15.249 -2.942 1.00 43.44 O ATOM 1561 CG2 THR A 101 -20.646 -13.802 -4.604 1.00 71.52 C ATOM 0 H THR A 101 -17.271 -14.159 -3.533 1.00 14.11 H new ATOM 0 HA THR A 101 -19.213 -11.951 -3.208 1.00 1.30 H new ATOM 0 HB THR A 101 -20.849 -13.612 -2.478 1.00 32.25 H new ATOM 0 HG1 THR A 101 -19.331 -15.325 -2.036 1.00 43.44 H new ATOM 0 HG21 THR A 101 -21.487 -14.487 -4.712 1.00 71.52 H new ATOM 0 HG22 THR A 101 -20.984 -12.781 -4.783 1.00 71.52 H new ATOM 0 HG23 THR A 101 -19.873 -14.060 -5.328 1.00 71.52 H new ATOM 1569 N MET A 102 -17.421 -12.094 -1.223 1.00 24.20 N ATOM 1570 CA MET A 102 -16.999 -11.770 0.130 1.00 62.05 C ATOM 1571 C MET A 102 -17.023 -10.255 0.300 1.00 12.24 C ATOM 1572 O MET A 102 -16.994 -9.507 -0.675 1.00 23.11 O ATOM 1573 CB MET A 102 -15.607 -12.339 0.409 1.00 3.41 C ATOM 1574 CG MET A 102 -15.697 -13.833 0.726 1.00 1.15 C ATOM 1575 SD MET A 102 -14.115 -14.655 1.059 1.00 73.35 S ATOM 1576 CE MET A 102 -13.910 -14.276 2.820 1.00 55.41 C ATOM 0 H MET A 102 -16.894 -11.591 -1.937 1.00 24.20 H new ATOM 0 HA MET A 102 -17.682 -12.221 0.850 1.00 62.05 H new ATOM 0 HB2 MET A 102 -14.963 -12.182 -0.456 1.00 3.41 H new ATOM 0 HB3 MET A 102 -15.151 -11.810 1.246 1.00 3.41 H new ATOM 0 HG2 MET A 102 -16.345 -13.965 1.593 1.00 1.15 H new ATOM 0 HG3 MET A 102 -16.179 -14.336 -0.112 1.00 1.15 H new ATOM 0 HE1 MET A 102 -12.918 -14.588 3.146 1.00 55.41 H new ATOM 0 HE2 MET A 102 -14.023 -13.203 2.977 1.00 55.41 H new ATOM 0 HE3 MET A 102 -14.666 -14.809 3.397 1.00 55.41 H new ATOM 1586 N PHE A 103 -17.119 -9.830 1.562 1.00 4.24 N ATOM 1587 CA PHE A 103 -17.414 -8.461 1.970 1.00 24.02 C ATOM 1588 C PHE A 103 -16.563 -8.100 3.188 1.00 55.40 C ATOM 1589 O PHE A 103 -15.879 -8.963 3.728 1.00 64.32 O ATOM 1590 CB PHE A 103 -18.912 -8.348 2.286 1.00 0.01 C ATOM 1591 CG PHE A 103 -19.806 -8.978 1.234 1.00 12.35 C ATOM 1592 CD1 PHE A 103 -19.944 -8.363 -0.024 1.00 43.10 C ATOM 1593 CD2 PHE A 103 -20.291 -10.287 1.425 1.00 63.12 C ATOM 1594 CE1 PHE A 103 -20.553 -9.054 -1.086 1.00 30.03 C ATOM 1595 CE2 PHE A 103 -20.893 -10.981 0.361 1.00 24.33 C ATOM 1596 CZ PHE A 103 -21.021 -10.366 -0.896 1.00 74.42 C ATOM 0 H PHE A 103 -16.988 -10.457 2.356 1.00 4.24 H new ATOM 0 HA PHE A 103 -17.173 -7.763 1.168 1.00 24.02 H new ATOM 0 HB2 PHE A 103 -19.108 -8.822 3.248 1.00 0.01 H new ATOM 0 HB3 PHE A 103 -19.174 -7.295 2.390 1.00 0.01 H new ATOM 0 HD1 PHE A 103 -19.581 -7.357 -0.174 1.00 43.10 H new ATOM 0 HD2 PHE A 103 -20.200 -10.759 2.392 1.00 63.12 H new ATOM 0 HE1 PHE A 103 -20.661 -8.577 -2.049 1.00 30.03 H new ATOM 0 HE2 PHE A 103 -21.257 -11.987 0.510 1.00 24.33 H new ATOM 0 HZ PHE A 103 -21.478 -10.901 -1.715 1.00 74.42 H new ATOM 1606 N ALA A 104 -16.602 -6.831 3.615 1.00 34.10 N ATOM 1607 CA ALA A 104 -15.770 -6.283 4.686 1.00 73.53 C ATOM 1608 C ALA A 104 -15.659 -7.209 5.906 1.00 50.40 C ATOM 1609 O ALA A 104 -14.556 -7.473 6.379 1.00 1.12 O ATOM 1610 CB ALA A 104 -16.311 -4.908 5.090 1.00 32.20 C ATOM 0 H ALA A 104 -17.233 -6.139 3.210 1.00 34.10 H new ATOM 0 HA ALA A 104 -14.756 -6.188 4.297 1.00 73.53 H new ATOM 0 HB1 ALA A 104 -15.695 -4.495 5.888 1.00 32.20 H new ATOM 0 HB2 ALA A 104 -16.286 -4.240 4.229 1.00 32.20 H new ATOM 0 HB3 ALA A 104 -17.338 -5.010 5.440 1.00 32.20 H new ATOM 1616 N TRP A 105 -16.801 -7.710 6.391 1.00 22.42 N ATOM 1617 CA TRP A 105 -16.884 -8.627 7.521 1.00 75.34 C ATOM 1618 C TRP A 105 -16.143 -9.939 7.239 1.00 42.15 C ATOM 1619 O TRP A 105 -15.373 -10.405 8.076 1.00 14.31 O ATOM 1620 CB TRP A 105 -18.358 -8.898 7.846 1.00 25.21 C ATOM 1621 CG TRP A 105 -19.259 -7.701 7.803 1.00 11.42 C ATOM 1622 CD1 TRP A 105 -19.284 -6.706 8.712 1.00 72.23 C ATOM 1623 CD2 TRP A 105 -20.211 -7.318 6.767 1.00 43.31 C ATOM 1624 NE1 TRP A 105 -20.182 -5.734 8.325 1.00 42.21 N ATOM 1625 CE2 TRP A 105 -20.778 -6.058 7.122 1.00 72.14 C ATOM 1626 CE3 TRP A 105 -20.646 -7.900 5.558 1.00 63.52 C ATOM 1627 CZ2 TRP A 105 -21.726 -5.410 6.316 1.00 13.25 C ATOM 1628 CZ3 TRP A 105 -21.593 -7.255 4.738 1.00 63.33 C ATOM 1629 CH2 TRP A 105 -22.131 -6.012 5.115 1.00 61.21 C ATOM 0 H TRP A 105 -17.712 -7.480 5.995 1.00 22.42 H new ATOM 0 HA TRP A 105 -16.400 -8.163 8.380 1.00 75.34 H new ATOM 0 HB2 TRP A 105 -18.736 -9.641 7.144 1.00 25.21 H new ATOM 0 HB3 TRP A 105 -18.417 -9.340 8.841 1.00 25.21 H new ATOM 0 HD1 TRP A 105 -18.688 -6.675 9.612 1.00 72.23 H new ATOM 0 HE1 TRP A 105 -20.380 -4.887 8.857 1.00 42.21 H new ATOM 0 HE3 TRP A 105 -20.246 -8.857 5.256 1.00 63.52 H new ATOM 0 HZ2 TRP A 105 -22.139 -4.459 6.617 1.00 13.25 H new ATOM 0 HZ3 TRP A 105 -21.907 -7.718 3.814 1.00 63.33 H new ATOM 0 HH2 TRP A 105 -22.855 -5.521 4.481 1.00 61.21 H new ATOM 1640 N GLU A 106 -16.382 -10.529 6.062 1.00 14.10 N ATOM 1641 CA GLU A 106 -15.848 -11.825 5.662 1.00 22.41 C ATOM 1642 C GLU A 106 -14.325 -11.755 5.506 1.00 30.22 C ATOM 1643 O GLU A 106 -13.598 -12.619 5.993 1.00 11.11 O ATOM 1644 CB GLU A 106 -16.498 -12.283 4.344 1.00 13.53 C ATOM 1645 CG GLU A 106 -18.012 -12.041 4.241 1.00 34.25 C ATOM 1646 CD GLU A 106 -18.784 -12.625 5.419 1.00 60.13 C ATOM 1647 OE1 GLU A 106 -18.554 -13.815 5.719 1.00 53.44 O ATOM 1648 OE2 GLU A 106 -19.594 -11.865 5.994 1.00 3.21 O ATOM 0 H GLU A 106 -16.969 -10.102 5.346 1.00 14.10 H new ATOM 0 HA GLU A 106 -16.082 -12.551 6.441 1.00 22.41 H new ATOM 0 HB2 GLU A 106 -16.007 -11.769 3.518 1.00 13.53 H new ATOM 0 HB3 GLU A 106 -16.307 -13.348 4.215 1.00 13.53 H new ATOM 0 HG2 GLU A 106 -18.201 -10.969 4.184 1.00 34.25 H new ATOM 0 HG3 GLU A 106 -18.384 -12.480 3.315 1.00 34.25 H new ATOM 1655 N ILE A 107 -13.857 -10.712 4.810 1.00 31.53 N ATOM 1656 CA ILE A 107 -12.465 -10.460 4.477 1.00 53.10 C ATOM 1657 C ILE A 107 -11.561 -10.349 5.710 1.00 3.33 C ATOM 1658 O ILE A 107 -10.358 -10.576 5.584 1.00 22.14 O ATOM 1659 CB ILE A 107 -12.390 -9.219 3.567 1.00 41.22 C ATOM 1660 CG1 ILE A 107 -12.983 -9.479 2.170 1.00 4.03 C ATOM 1661 CG2 ILE A 107 -10.964 -8.679 3.423 1.00 50.33 C ATOM 1662 CD1 ILE A 107 -12.422 -10.699 1.437 1.00 3.44 C ATOM 0 H ILE A 107 -14.478 -9.988 4.449 1.00 31.53 H new ATOM 0 HA ILE A 107 -12.074 -11.322 3.935 1.00 53.10 H new ATOM 0 HB ILE A 107 -12.995 -8.462 4.067 1.00 41.22 H new ATOM 0 HG12 ILE A 107 -14.062 -9.599 2.268 1.00 4.03 H new ATOM 0 HG13 ILE A 107 -12.816 -8.596 1.553 1.00 4.03 H new ATOM 0 HG21 ILE A 107 -10.970 -7.805 2.772 1.00 50.33 H new ATOM 0 HG22 ILE A 107 -10.581 -8.398 4.404 1.00 50.33 H new ATOM 0 HG23 ILE A 107 -10.325 -9.449 2.991 1.00 50.33 H new ATOM 0 HD11 ILE A 107 -12.905 -10.793 0.464 1.00 3.44 H new ATOM 0 HD12 ILE A 107 -11.348 -10.578 1.298 1.00 3.44 H new ATOM 0 HD13 ILE A 107 -12.613 -11.597 2.025 1.00 3.44 H new ATOM 1674 N ARG A 108 -12.115 -10.057 6.895 1.00 51.40 N ATOM 1675 CA ARG A 108 -11.385 -10.186 8.152 1.00 60.54 C ATOM 1676 C ARG A 108 -10.615 -11.510 8.172 1.00 63.42 C ATOM 1677 O ARG A 108 -9.405 -11.524 8.388 1.00 24.05 O ATOM 1678 CB ARG A 108 -12.367 -10.114 9.331 1.00 54.13 C ATOM 1679 CG ARG A 108 -11.638 -10.275 10.671 1.00 73.32 C ATOM 1680 CD ARG A 108 -12.617 -10.367 11.843 1.00 63.01 C ATOM 1681 NE ARG A 108 -11.910 -10.770 13.066 1.00 21.54 N ATOM 1682 CZ ARG A 108 -11.554 -12.029 13.380 1.00 65.33 C ATOM 1683 NH1 ARG A 108 -11.927 -13.069 12.618 1.00 63.12 N ATOM 1684 NH2 ARG A 108 -10.802 -12.243 14.466 1.00 41.41 N ATOM 0 H ARG A 108 -13.074 -9.728 7.003 1.00 51.40 H new ATOM 0 HA ARG A 108 -10.670 -9.368 8.243 1.00 60.54 H new ATOM 0 HB2 ARG A 108 -12.892 -9.159 9.312 1.00 54.13 H new ATOM 0 HB3 ARG A 108 -13.121 -10.895 9.228 1.00 54.13 H new ATOM 0 HG2 ARG A 108 -11.020 -11.172 10.643 1.00 73.32 H new ATOM 0 HG3 ARG A 108 -10.967 -9.430 10.824 1.00 73.32 H new ATOM 0 HD2 ARG A 108 -13.103 -9.404 11.996 1.00 63.01 H new ATOM 0 HD3 ARG A 108 -13.402 -11.088 11.614 1.00 63.01 H new ATOM 0 HE ARG A 108 -11.669 -10.035 13.731 1.00 21.54 H new ATOM 0 HH11 ARG A 108 -12.491 -12.913 11.783 1.00 63.12 H new ATOM 0 HH12 ARG A 108 -11.646 -14.016 12.874 1.00 63.12 H new ATOM 0 HH21 ARG A 108 -10.506 -11.457 15.044 1.00 41.41 H new ATOM 0 HH22 ARG A 108 -10.525 -13.192 14.716 1.00 41.41 H new ATOM 1698 N ASP A 109 -11.329 -12.611 7.921 1.00 70.22 N ATOM 1699 CA ASP A 109 -10.812 -13.967 7.999 1.00 22.54 C ATOM 1700 C ASP A 109 -10.071 -14.393 6.725 1.00 4.43 C ATOM 1701 O ASP A 109 -9.301 -15.350 6.778 1.00 12.14 O ATOM 1702 CB ASP A 109 -11.946 -14.919 8.386 1.00 0.22 C ATOM 1703 CG ASP A 109 -12.424 -14.653 9.816 1.00 71.32 C ATOM 1704 OD1 ASP A 109 -13.063 -13.597 10.032 1.00 41.23 O ATOM 1705 OD2 ASP A 109 -12.118 -15.494 10.687 1.00 24.34 O ATOM 0 H ASP A 109 -12.312 -12.575 7.650 1.00 70.22 H new ATOM 0 HA ASP A 109 -10.053 -14.008 8.780 1.00 22.54 H new ATOM 0 HB2 ASP A 109 -12.778 -14.799 7.693 1.00 0.22 H new ATOM 0 HB3 ASP A 109 -11.605 -15.951 8.299 1.00 0.22 H new ATOM 1710 N ARG A 110 -10.236 -13.671 5.604 1.00 2.32 N ATOM 1711 CA ARG A 110 -9.370 -13.841 4.438 1.00 21.33 C ATOM 1712 C ARG A 110 -7.923 -13.571 4.846 1.00 5.33 C ATOM 1713 O ARG A 110 -7.056 -14.398 4.587 1.00 11.05 O ATOM 1714 CB ARG A 110 -9.810 -12.948 3.270 1.00 1.14 C ATOM 1715 CG ARG A 110 -8.918 -13.037 2.020 1.00 71.05 C ATOM 1716 CD ARG A 110 -8.878 -14.406 1.329 1.00 73.21 C ATOM 1717 NE ARG A 110 -7.880 -15.301 1.935 1.00 43.33 N ATOM 1718 CZ ARG A 110 -7.248 -16.309 1.308 1.00 20.51 C ATOM 1719 NH1 ARG A 110 -7.532 -16.621 0.036 1.00 13.01 N ATOM 1720 NH2 ARG A 110 -6.318 -17.011 1.966 1.00 20.00 N ATOM 0 H ARG A 110 -10.963 -12.965 5.486 1.00 2.32 H new ATOM 0 HA ARG A 110 -9.450 -14.868 4.082 1.00 21.33 H new ATOM 0 HB2 ARG A 110 -10.830 -13.214 2.991 1.00 1.14 H new ATOM 0 HB3 ARG A 110 -9.832 -11.913 3.611 1.00 1.14 H new ATOM 0 HG2 ARG A 110 -9.260 -12.296 1.298 1.00 71.05 H new ATOM 0 HG3 ARG A 110 -7.901 -12.762 2.301 1.00 71.05 H new ATOM 0 HD2 ARG A 110 -9.863 -14.870 1.386 1.00 73.21 H new ATOM 0 HD3 ARG A 110 -8.650 -14.272 0.272 1.00 73.21 H new ATOM 0 HE ARG A 110 -7.647 -15.143 2.916 1.00 43.33 H new ATOM 0 HH11 ARG A 110 -8.238 -16.090 -0.474 1.00 13.01 H new ATOM 0 HH12 ARG A 110 -7.042 -17.389 -0.422 1.00 13.01 H new ATOM 0 HH21 ARG A 110 -6.094 -16.780 2.934 1.00 20.00 H new ATOM 0 HH22 ARG A 110 -5.833 -17.777 1.500 1.00 20.00 H new ATOM 1734 N LEU A 111 -7.671 -12.434 5.504 1.00 21.12 N ATOM 1735 CA LEU A 111 -6.340 -12.032 5.949 1.00 52.43 C ATOM 1736 C LEU A 111 -5.731 -13.066 6.899 1.00 71.31 C ATOM 1737 O LEU A 111 -4.539 -13.356 6.801 1.00 20.42 O ATOM 1738 CB LEU A 111 -6.416 -10.664 6.634 1.00 53.55 C ATOM 1739 CG LEU A 111 -6.838 -9.562 5.649 1.00 5.41 C ATOM 1740 CD1 LEU A 111 -7.692 -8.522 6.370 1.00 21.15 C ATOM 1741 CD2 LEU A 111 -5.609 -8.889 5.028 1.00 11.15 C ATOM 0 H LEU A 111 -8.399 -11.761 5.744 1.00 21.12 H new ATOM 0 HA LEU A 111 -5.694 -11.966 5.074 1.00 52.43 H new ATOM 0 HB2 LEU A 111 -7.128 -10.708 7.459 1.00 53.55 H new ATOM 0 HB3 LEU A 111 -5.445 -10.417 7.064 1.00 53.55 H new ATOM 0 HG LEU A 111 -7.422 -10.018 4.849 1.00 5.41 H new ATOM 0 HD11 LEU A 111 -7.988 -7.744 5.667 1.00 21.15 H new ATOM 0 HD12 LEU A 111 -8.582 -9.001 6.777 1.00 21.15 H new ATOM 0 HD13 LEU A 111 -7.116 -8.078 7.182 1.00 21.15 H new ATOM 0 HD21 LEU A 111 -5.931 -8.112 4.334 1.00 11.15 H new ATOM 0 HD22 LEU A 111 -5.002 -8.443 5.816 1.00 11.15 H new ATOM 0 HD23 LEU A 111 -5.019 -9.632 4.492 1.00 11.15 H new ATOM 1753 N LEU A 112 -6.544 -13.627 7.803 1.00 71.23 N ATOM 1754 CA LEU A 112 -6.098 -14.661 8.727 1.00 12.34 C ATOM 1755 C LEU A 112 -5.676 -15.910 7.951 1.00 63.44 C ATOM 1756 O LEU A 112 -4.559 -16.394 8.123 1.00 2.12 O ATOM 1757 CB LEU A 112 -7.190 -14.990 9.758 1.00 11.25 C ATOM 1758 CG LEU A 112 -7.726 -13.776 10.535 1.00 70.21 C ATOM 1759 CD1 LEU A 112 -8.682 -14.256 11.634 1.00 11.20 C ATOM 1760 CD2 LEU A 112 -6.617 -12.919 11.147 1.00 0.31 C ATOM 0 H LEU A 112 -7.526 -13.373 7.909 1.00 71.23 H new ATOM 0 HA LEU A 112 -5.234 -14.287 9.276 1.00 12.34 H new ATOM 0 HB2 LEU A 112 -8.022 -15.472 9.245 1.00 11.25 H new ATOM 0 HB3 LEU A 112 -6.793 -15.713 10.470 1.00 11.25 H new ATOM 0 HG LEU A 112 -8.252 -13.143 9.821 1.00 70.21 H new ATOM 0 HD11 LEU A 112 -9.063 -13.397 12.186 1.00 11.20 H new ATOM 0 HD12 LEU A 112 -9.515 -14.795 11.182 1.00 11.20 H new ATOM 0 HD13 LEU A 112 -8.149 -14.918 12.316 1.00 11.20 H new ATOM 0 HD21 LEU A 112 -7.060 -12.079 11.682 1.00 0.31 H new ATOM 0 HD22 LEU A 112 -6.032 -13.523 11.841 1.00 0.31 H new ATOM 0 HD23 LEU A 112 -5.968 -12.544 10.355 1.00 0.31 H new ATOM 1772 N ALA A 113 -6.560 -16.411 7.077 1.00 10.33 N ATOM 1773 CA ALA A 113 -6.313 -17.582 6.246 1.00 21.43 C ATOM 1774 C ALA A 113 -5.099 -17.395 5.331 1.00 33.11 C ATOM 1775 O ALA A 113 -4.370 -18.351 5.075 1.00 32.25 O ATOM 1776 CB ALA A 113 -7.567 -17.892 5.422 1.00 14.15 C ATOM 0 H ALA A 113 -7.482 -16.001 6.930 1.00 10.33 H new ATOM 0 HA ALA A 113 -6.086 -18.422 6.902 1.00 21.43 H new ATOM 0 HB1 ALA A 113 -7.386 -18.768 4.799 1.00 14.15 H new ATOM 0 HB2 ALA A 113 -8.403 -18.091 6.093 1.00 14.15 H new ATOM 0 HB3 ALA A 113 -7.806 -17.038 4.787 1.00 14.15 H new ATOM 1782 N GLU A 114 -4.891 -16.171 4.831 1.00 75.34 N ATOM 1783 CA GLU A 114 -3.796 -15.829 3.938 1.00 75.34 C ATOM 1784 C GLU A 114 -2.469 -15.776 4.706 1.00 43.21 C ATOM 1785 O GLU A 114 -1.413 -16.033 4.129 1.00 74.24 O ATOM 1786 CB GLU A 114 -4.128 -14.490 3.255 1.00 25.42 C ATOM 1787 CG GLU A 114 -3.346 -14.249 1.960 1.00 2.24 C ATOM 1788 CD GLU A 114 -3.895 -15.102 0.818 1.00 62.14 C ATOM 1789 OE1 GLU A 114 -4.857 -14.632 0.172 1.00 3.34 O ATOM 1790 OE2 GLU A 114 -3.370 -16.220 0.626 1.00 13.35 O ATOM 0 H GLU A 114 -5.497 -15.379 5.045 1.00 75.34 H new ATOM 0 HA GLU A 114 -3.677 -16.594 3.171 1.00 75.34 H new ATOM 0 HB2 GLU A 114 -5.195 -14.459 3.036 1.00 25.42 H new ATOM 0 HB3 GLU A 114 -3.922 -13.676 3.950 1.00 25.42 H new ATOM 0 HG2 GLU A 114 -3.401 -13.195 1.689 1.00 2.24 H new ATOM 0 HG3 GLU A 114 -2.293 -14.483 2.119 1.00 2.24 H new ATOM 1797 N GLY A 115 -2.526 -15.455 6.006 1.00 41.52 N ATOM 1798 CA GLY A 115 -1.364 -15.329 6.872 1.00 40.52 C ATOM 1799 C GLY A 115 -0.772 -13.925 6.769 1.00 21.03 C ATOM 1800 O GLY A 115 0.446 -13.767 6.716 1.00 73.52 O ATOM 0 H GLY A 115 -3.406 -15.273 6.488 1.00 41.52 H new ATOM 0 HA2 GLY A 115 -1.648 -15.536 7.904 1.00 40.52 H new ATOM 0 HA3 GLY A 115 -0.613 -16.068 6.593 1.00 40.52 H new ATOM 1804 N VAL A 116 -1.649 -12.915 6.730 1.00 31.23 N ATOM 1805 CA VAL A 116 -1.307 -11.509 6.574 1.00 24.52 C ATOM 1806 C VAL A 116 -1.499 -10.799 7.914 1.00 20.24 C ATOM 1807 O VAL A 116 -0.591 -10.116 8.382 1.00 61.41 O ATOM 1808 CB VAL A 116 -2.168 -10.902 5.452 1.00 11.10 C ATOM 1809 CG1 VAL A 116 -1.948 -9.390 5.323 1.00 62.44 C ATOM 1810 CG2 VAL A 116 -1.826 -11.561 4.110 1.00 32.30 C ATOM 0 H VAL A 116 -2.654 -13.068 6.810 1.00 31.23 H new ATOM 0 HA VAL A 116 -0.263 -11.387 6.285 1.00 24.52 H new ATOM 0 HB VAL A 116 -3.211 -11.084 5.711 1.00 11.10 H new ATOM 0 HG11 VAL A 116 -2.573 -8.999 4.521 1.00 62.44 H new ATOM 0 HG12 VAL A 116 -2.214 -8.902 6.261 1.00 62.44 H new ATOM 0 HG13 VAL A 116 -0.900 -9.193 5.096 1.00 62.44 H new ATOM 0 HG21 VAL A 116 -2.441 -11.124 3.323 1.00 32.30 H new ATOM 0 HG22 VAL A 116 -0.773 -11.396 3.882 1.00 32.30 H new ATOM 0 HG23 VAL A 116 -2.021 -12.632 4.170 1.00 32.30 H new ATOM 1820 N CYS A 117 -2.677 -10.975 8.526 1.00 22.34 N ATOM 1821 CA CYS A 117 -3.000 -10.470 9.854 1.00 22.43 C ATOM 1822 C CYS A 117 -3.152 -11.634 10.829 1.00 64.33 C ATOM 1823 O CYS A 117 -3.410 -12.765 10.421 1.00 52.13 O ATOM 1824 CB CYS A 117 -4.306 -9.667 9.807 1.00 3.12 C ATOM 1825 SG CYS A 117 -4.073 -8.136 8.872 1.00 33.24 S ATOM 0 H CYS A 117 -3.447 -11.486 8.095 1.00 22.34 H new ATOM 0 HA CYS A 117 -2.192 -9.821 10.190 1.00 22.43 H new ATOM 0 HB2 CYS A 117 -5.092 -10.266 9.346 1.00 3.12 H new ATOM 0 HB3 CYS A 117 -4.634 -9.435 10.820 1.00 3.12 H new ATOM 0 HG CYS A 117 -5.190 -7.472 8.842 1.00 33.24 H new ATOM 1831 N ASP A 118 -3.031 -11.322 12.124 1.00 32.24 N ATOM 1832 CA ASP A 118 -3.424 -12.184 13.229 1.00 52.51 C ATOM 1833 C ASP A 118 -4.816 -11.769 13.712 1.00 2.51 C ATOM 1834 O ASP A 118 -5.277 -10.667 13.411 1.00 4.14 O ATOM 1835 CB ASP A 118 -2.404 -12.092 14.372 1.00 62.45 C ATOM 1836 CG ASP A 118 -0.986 -12.400 13.903 1.00 34.04 C ATOM 1837 OD1 ASP A 118 -0.721 -13.593 13.637 1.00 52.41 O ATOM 1838 OD2 ASP A 118 -0.194 -11.437 13.816 1.00 64.13 O ATOM 0 H ASP A 118 -2.643 -10.431 12.435 1.00 32.24 H new ATOM 0 HA ASP A 118 -3.452 -13.220 12.891 1.00 52.51 H new ATOM 0 HB2 ASP A 118 -2.433 -11.091 14.803 1.00 62.45 H new ATOM 0 HB3 ASP A 118 -2.683 -12.788 15.163 1.00 62.45 H new ATOM 1843 N ASN A 119 -5.469 -12.675 14.455 1.00 65.42 N ATOM 1844 CA ASN A 119 -6.861 -12.609 14.892 1.00 74.15 C ATOM 1845 C ASN A 119 -7.303 -11.222 15.367 1.00 2.53 C ATOM 1846 O ASN A 119 -8.383 -10.767 14.996 1.00 61.04 O ATOM 1847 CB ASN A 119 -7.084 -13.655 15.991 1.00 53.42 C ATOM 1848 CG ASN A 119 -8.537 -13.687 16.463 1.00 3.23 C ATOM 1849 OD1 ASN A 119 -9.377 -14.328 15.837 1.00 22.43 O ATOM 1850 ND2 ASN A 119 -8.843 -12.993 17.561 1.00 40.20 N ATOM 0 H ASN A 119 -5.006 -13.522 14.784 1.00 65.42 H new ATOM 0 HA ASN A 119 -7.482 -12.822 14.022 1.00 74.15 H new ATOM 0 HB2 ASN A 119 -6.802 -14.639 15.617 1.00 53.42 H new ATOM 0 HB3 ASN A 119 -6.432 -13.437 16.837 1.00 53.42 H new ATOM 0 HD21 ASN A 119 -9.802 -12.983 17.907 1.00 40.20 H new ATOM 0 HD22 ASN A 119 -8.117 -12.473 18.054 1.00 40.20 H new ATOM 1857 N ASP A 120 -6.489 -10.576 16.208 1.00 72.14 N ATOM 1858 CA ASP A 120 -6.806 -9.299 16.834 1.00 4.44 C ATOM 1859 C ASP A 120 -6.195 -8.129 16.062 1.00 63.24 C ATOM 1860 O ASP A 120 -6.814 -7.071 15.967 1.00 65.40 O ATOM 1861 CB ASP A 120 -6.326 -9.315 18.287 1.00 4.31 C ATOM 1862 CG ASP A 120 -7.137 -10.304 19.120 1.00 52.33 C ATOM 1863 OD1 ASP A 120 -6.850 -11.516 19.007 1.00 75.10 O ATOM 1864 OD2 ASP A 120 -8.045 -9.834 19.838 1.00 12.22 O ATOM 0 H ASP A 120 -5.574 -10.938 16.475 1.00 72.14 H new ATOM 0 HA ASP A 120 -7.887 -9.158 16.817 1.00 4.44 H new ATOM 0 HB2 ASP A 120 -5.270 -9.584 18.322 1.00 4.31 H new ATOM 0 HB3 ASP A 120 -6.414 -8.316 18.714 1.00 4.31 H new ATOM 1869 N THR A 121 -4.980 -8.311 15.529 1.00 34.33 N ATOM 1870 CA THR A 121 -4.225 -7.260 14.853 1.00 62.22 C ATOM 1871 C THR A 121 -4.983 -6.685 13.651 1.00 42.34 C ATOM 1872 O THR A 121 -4.907 -5.481 13.406 1.00 11.40 O ATOM 1873 CB THR A 121 -2.847 -7.775 14.414 1.00 23.24 C ATOM 1874 OG1 THR A 121 -2.985 -8.789 13.442 1.00 40.42 O ATOM 1875 CG2 THR A 121 -2.013 -8.284 15.594 1.00 73.35 C ATOM 0 H THR A 121 -4.491 -9.206 15.558 1.00 34.33 H new ATOM 0 HA THR A 121 -4.090 -6.453 15.573 1.00 62.22 H new ATOM 0 HB THR A 121 -2.314 -6.929 13.980 1.00 23.24 H new ATOM 0 HG1 THR A 121 -3.814 -9.286 13.603 1.00 40.42 H new ATOM 0 HG21 THR A 121 -1.048 -8.637 15.232 1.00 73.35 H new ATOM 0 HG22 THR A 121 -1.859 -7.474 16.307 1.00 73.35 H new ATOM 0 HG23 THR A 121 -2.539 -9.103 16.084 1.00 73.35 H new ATOM 1883 N VAL A 122 -5.698 -7.548 12.915 1.00 65.43 N ATOM 1884 CA VAL A 122 -6.568 -7.205 11.796 1.00 1.21 C ATOM 1885 C VAL A 122 -7.378 -5.927 12.094 1.00 4.25 C ATOM 1886 O VAL A 122 -7.993 -5.837 13.157 1.00 13.02 O ATOM 1887 CB VAL A 122 -7.460 -8.423 11.480 1.00 13.43 C ATOM 1888 CG1 VAL A 122 -8.516 -8.698 12.558 1.00 14.31 C ATOM 1889 CG2 VAL A 122 -8.132 -8.290 10.112 1.00 5.04 C ATOM 0 H VAL A 122 -5.680 -8.551 13.098 1.00 65.43 H new ATOM 0 HA VAL A 122 -5.974 -6.975 10.911 1.00 1.21 H new ATOM 0 HB VAL A 122 -6.786 -9.279 11.463 1.00 13.43 H new ATOM 0 HG11 VAL A 122 -9.109 -9.567 12.273 1.00 14.31 H new ATOM 0 HG12 VAL A 122 -8.022 -8.892 13.510 1.00 14.31 H new ATOM 0 HG13 VAL A 122 -9.169 -7.831 12.658 1.00 14.31 H new ATOM 0 HG21 VAL A 122 -8.752 -9.167 9.924 1.00 5.04 H new ATOM 0 HG22 VAL A 122 -8.755 -7.395 10.098 1.00 5.04 H new ATOM 0 HG23 VAL A 122 -7.369 -8.213 9.338 1.00 5.04 H new ATOM 1899 N PRO A 123 -7.349 -4.909 11.215 1.00 22.42 N ATOM 1900 CA PRO A 123 -7.886 -3.587 11.518 1.00 45.32 C ATOM 1901 C PRO A 123 -9.416 -3.567 11.553 1.00 53.24 C ATOM 1902 O PRO A 123 -10.078 -4.472 11.045 1.00 70.42 O ATOM 1903 CB PRO A 123 -7.335 -2.659 10.432 1.00 24.12 C ATOM 1904 CG PRO A 123 -7.108 -3.599 9.251 1.00 61.34 C ATOM 1905 CD PRO A 123 -6.673 -4.897 9.928 1.00 23.41 C ATOM 0 HA PRO A 123 -7.583 -3.267 12.515 1.00 45.32 H new ATOM 0 HB2 PRO A 123 -8.040 -1.865 10.185 1.00 24.12 H new ATOM 0 HB3 PRO A 123 -6.409 -2.177 10.746 1.00 24.12 H new ATOM 0 HG2 PRO A 123 -8.015 -3.735 8.662 1.00 61.34 H new ATOM 0 HG3 PRO A 123 -6.342 -3.220 8.574 1.00 61.34 H new ATOM 0 HD2 PRO A 123 -6.952 -5.764 9.330 1.00 23.41 H new ATOM 0 HD3 PRO A 123 -5.591 -4.931 10.053 1.00 23.41 H new ATOM 1913 N SER A 124 -9.962 -2.513 12.172 1.00 15.23 N ATOM 1914 CA SER A 124 -11.387 -2.325 12.399 1.00 61.40 C ATOM 1915 C SER A 124 -12.176 -2.305 11.090 1.00 34.23 C ATOM 1916 O SER A 124 -11.794 -1.618 10.143 1.00 15.40 O ATOM 1917 CB SER A 124 -11.608 -1.008 13.150 1.00 72.23 C ATOM 1918 OG SER A 124 -10.943 -1.043 14.394 1.00 43.22 O ATOM 0 H SER A 124 -9.399 -1.746 12.538 1.00 15.23 H new ATOM 0 HA SER A 124 -11.748 -3.167 12.990 1.00 61.40 H new ATOM 0 HB2 SER A 124 -11.238 -0.174 12.554 1.00 72.23 H new ATOM 0 HB3 SER A 124 -12.674 -0.842 13.303 1.00 72.23 H new ATOM 0 HG SER A 124 -11.088 -0.197 14.866 1.00 43.22 H new ATOM 1924 N VAL A 125 -13.308 -3.021 11.069 1.00 53.22 N ATOM 1925 CA VAL A 125 -14.239 -3.033 9.949 1.00 14.42 C ATOM 1926 C VAL A 125 -14.763 -1.621 9.649 1.00 32.33 C ATOM 1927 O VAL A 125 -14.974 -1.270 8.490 1.00 55.15 O ATOM 1928 CB VAL A 125 -15.352 -4.066 10.198 1.00 65.25 C ATOM 1929 CG1 VAL A 125 -16.314 -3.654 11.319 1.00 12.22 C ATOM 1930 CG2 VAL A 125 -16.140 -4.354 8.914 1.00 35.20 C ATOM 0 H VAL A 125 -13.601 -3.615 11.845 1.00 53.22 H new ATOM 0 HA VAL A 125 -13.717 -3.348 9.046 1.00 14.42 H new ATOM 0 HB VAL A 125 -14.847 -4.976 10.522 1.00 65.25 H new ATOM 0 HG11 VAL A 125 -17.076 -4.423 11.446 1.00 12.22 H new ATOM 0 HG12 VAL A 125 -15.759 -3.536 12.250 1.00 12.22 H new ATOM 0 HG13 VAL A 125 -16.792 -2.710 11.059 1.00 12.22 H new ATOM 0 HG21 VAL A 125 -16.919 -5.087 9.122 1.00 35.20 H new ATOM 0 HG22 VAL A 125 -16.596 -3.432 8.553 1.00 35.20 H new ATOM 0 HG23 VAL A 125 -15.465 -4.747 8.154 1.00 35.20 H new ATOM 1940 N SER A 126 -14.931 -0.794 10.691 1.00 32.32 N ATOM 1941 CA SER A 126 -15.341 0.596 10.559 1.00 33.33 C ATOM 1942 C SER A 126 -14.306 1.429 9.797 1.00 74.13 C ATOM 1943 O SER A 126 -14.687 2.345 9.072 1.00 53.00 O ATOM 1944 CB SER A 126 -15.607 1.193 11.946 1.00 52.23 C ATOM 1945 OG SER A 126 -14.419 1.239 12.711 1.00 24.13 O ATOM 0 H SER A 126 -14.782 -1.083 11.658 1.00 32.32 H new ATOM 0 HA SER A 126 -16.261 0.622 9.975 1.00 33.33 H new ATOM 0 HB2 SER A 126 -16.016 2.198 11.842 1.00 52.23 H new ATOM 0 HB3 SER A 126 -16.356 0.596 12.466 1.00 52.23 H new ATOM 0 HG SER A 126 -14.611 1.625 13.591 1.00 24.13 H new ATOM 1951 N SER A 127 -13.008 1.132 9.968 1.00 11.24 N ATOM 1952 CA SER A 127 -11.932 1.886 9.339 1.00 22.33 C ATOM 1953 C SER A 127 -11.968 1.669 7.832 1.00 23.32 C ATOM 1954 O SER A 127 -12.211 2.611 7.079 1.00 23.20 O ATOM 1955 CB SER A 127 -10.576 1.512 9.950 1.00 55.22 C ATOM 1956 OG SER A 127 -9.568 2.369 9.457 1.00 55.11 O ATOM 0 H SER A 127 -12.683 0.359 10.549 1.00 11.24 H new ATOM 0 HA SER A 127 -12.075 2.950 9.527 1.00 22.33 H new ATOM 0 HB2 SER A 127 -10.626 1.584 11.036 1.00 55.22 H new ATOM 0 HB3 SER A 127 -10.333 0.477 9.710 1.00 55.22 H new ATOM 0 HG SER A 127 -8.707 2.123 9.854 1.00 55.11 H new ATOM 1962 N ILE A 128 -11.762 0.422 7.401 1.00 65.10 N ATOM 1963 CA ILE A 128 -11.810 0.037 5.996 1.00 13.21 C ATOM 1964 C ILE A 128 -13.095 0.544 5.335 1.00 14.22 C ATOM 1965 O ILE A 128 -13.038 1.075 4.228 1.00 44.31 O ATOM 1966 CB ILE A 128 -11.609 -1.483 5.842 1.00 53.42 C ATOM 1967 CG1 ILE A 128 -12.660 -2.285 6.630 1.00 51.53 C ATOM 1968 CG2 ILE A 128 -10.176 -1.836 6.266 1.00 63.12 C ATOM 1969 CD1 ILE A 128 -12.488 -3.800 6.547 1.00 14.41 C ATOM 0 H ILE A 128 -11.555 -0.355 8.029 1.00 65.10 H new ATOM 0 HA ILE A 128 -10.985 0.515 5.468 1.00 13.21 H new ATOM 0 HB ILE A 128 -11.750 -1.760 4.797 1.00 53.42 H new ATOM 0 HG12 ILE A 128 -12.620 -1.984 7.677 1.00 51.53 H new ATOM 0 HG13 ILE A 128 -13.651 -2.023 6.261 1.00 51.53 H new ATOM 0 HG21 ILE A 128 -10.020 -2.910 6.162 1.00 63.12 H new ATOM 0 HG22 ILE A 128 -9.467 -1.303 5.632 1.00 63.12 H new ATOM 0 HG23 ILE A 128 -10.022 -1.546 7.305 1.00 63.12 H new ATOM 0 HD11 ILE A 128 -13.270 -4.287 7.130 1.00 14.41 H new ATOM 0 HD12 ILE A 128 -12.560 -4.118 5.507 1.00 14.41 H new ATOM 0 HD13 ILE A 128 -11.512 -4.078 6.945 1.00 14.41 H new ATOM 1981 N ASN A 129 -14.233 0.443 6.035 1.00 10.44 N ATOM 1982 CA ASN A 129 -15.502 0.973 5.564 1.00 15.23 C ATOM 1983 C ASN A 129 -15.410 2.476 5.288 1.00 21.22 C ATOM 1984 O ASN A 129 -15.635 2.881 4.153 1.00 62.32 O ATOM 1985 CB ASN A 129 -16.626 0.652 6.553 1.00 40.12 C ATOM 1986 CG ASN A 129 -17.957 1.235 6.082 1.00 12.24 C ATOM 1987 OD1 ASN A 129 -18.396 2.269 6.578 1.00 51.21 O ATOM 1988 ND2 ASN A 129 -18.596 0.577 5.112 1.00 44.13 N ATOM 0 H ASN A 129 -14.290 -0.012 6.946 1.00 10.44 H new ATOM 0 HA ASN A 129 -15.740 0.485 4.619 1.00 15.23 H new ATOM 0 HB2 ASN A 129 -16.718 -0.428 6.665 1.00 40.12 H new ATOM 0 HB3 ASN A 129 -16.376 1.054 7.535 1.00 40.12 H new ATOM 0 HD21 ASN A 129 -19.484 0.930 4.756 1.00 44.13 H new ATOM 0 HD22 ASN A 129 -18.196 -0.279 4.727 1.00 44.13 H new ATOM 1995 N ARG A 130 -15.097 3.305 6.294 1.00 65.41 N ATOM 1996 CA ARG A 130 -15.122 4.755 6.113 1.00 72.11 C ATOM 1997 C ARG A 130 -14.104 5.227 5.068 1.00 71.04 C ATOM 1998 O ARG A 130 -14.404 6.146 4.308 1.00 10.01 O ATOM 1999 CB ARG A 130 -15.055 5.516 7.447 1.00 71.51 C ATOM 2000 CG ARG A 130 -13.705 5.457 8.167 1.00 4.44 C ATOM 2001 CD ARG A 130 -13.753 6.268 9.466 1.00 52.54 C ATOM 2002 NE ARG A 130 -12.575 6.010 10.307 1.00 73.21 N ATOM 2003 CZ ARG A 130 -12.470 5.036 11.230 1.00 3.24 C ATOM 2004 NH1 ARG A 130 -13.470 4.167 11.436 1.00 45.30 N ATOM 2005 NH2 ARG A 130 -11.342 4.928 11.945 1.00 22.31 N ATOM 0 H ARG A 130 -14.827 2.997 7.228 1.00 65.41 H new ATOM 0 HA ARG A 130 -16.096 5.010 5.696 1.00 72.11 H new ATOM 0 HB2 ARG A 130 -15.305 6.561 7.263 1.00 71.51 H new ATOM 0 HB3 ARG A 130 -15.821 5.118 8.113 1.00 71.51 H new ATOM 0 HG2 ARG A 130 -13.449 4.421 8.388 1.00 4.44 H new ATOM 0 HG3 ARG A 130 -12.922 5.847 7.517 1.00 4.44 H new ATOM 0 HD2 ARG A 130 -13.807 7.331 9.231 1.00 52.54 H new ATOM 0 HD3 ARG A 130 -14.658 6.017 10.019 1.00 52.54 H new ATOM 0 HE ARG A 130 -11.768 6.621 10.180 1.00 73.21 H new ATOM 0 HH11 ARG A 130 -14.328 4.238 10.889 1.00 45.30 H new ATOM 0 HH12 ARG A 130 -13.373 3.435 12.140 1.00 45.30 H new ATOM 0 HH21 ARG A 130 -10.574 5.580 11.787 1.00 22.31 H new ATOM 0 HH22 ARG A 130 -11.252 4.194 12.647 1.00 22.31 H new ATOM 2019 N ILE A 131 -12.938 4.568 4.973 1.00 60.31 N ATOM 2020 CA ILE A 131 -11.999 4.761 3.878 1.00 61.25 C ATOM 2021 C ILE A 131 -12.700 4.523 2.530 1.00 51.33 C ATOM 2022 O ILE A 131 -12.635 5.387 1.661 1.00 13.23 O ATOM 2023 CB ILE A 131 -10.749 3.876 4.099 1.00 24.33 C ATOM 2024 CG1 ILE A 131 -9.697 4.590 4.972 1.00 32.10 C ATOM 2025 CG2 ILE A 131 -10.050 3.511 2.780 1.00 55.33 C ATOM 2026 CD1 ILE A 131 -10.076 4.842 6.432 1.00 63.13 C ATOM 0 H ILE A 131 -12.627 3.884 5.663 1.00 60.31 H new ATOM 0 HA ILE A 131 -11.647 5.792 3.856 1.00 61.25 H new ATOM 0 HB ILE A 131 -11.120 2.976 4.590 1.00 24.33 H new ATOM 0 HG12 ILE A 131 -8.782 3.998 4.955 1.00 32.10 H new ATOM 0 HG13 ILE A 131 -9.465 5.549 4.510 1.00 32.10 H new ATOM 0 HG21 ILE A 131 -9.179 2.890 2.989 1.00 55.33 H new ATOM 0 HG22 ILE A 131 -10.742 2.962 2.141 1.00 55.33 H new ATOM 0 HG23 ILE A 131 -9.732 4.422 2.273 1.00 55.33 H new ATOM 0 HD11 ILE A 131 -9.255 5.349 6.939 1.00 63.13 H new ATOM 0 HD12 ILE A 131 -10.969 5.466 6.474 1.00 63.13 H new ATOM 0 HD13 ILE A 131 -10.275 3.891 6.926 1.00 63.13 H new ATOM 2038 N ILE A 132 -13.375 3.378 2.353 1.00 51.24 N ATOM 2039 CA ILE A 132 -14.072 3.022 1.116 1.00 24.41 C ATOM 2040 C ILE A 132 -15.186 4.020 0.778 1.00 24.33 C ATOM 2041 O ILE A 132 -15.338 4.376 -0.388 1.00 12.35 O ATOM 2042 CB ILE A 132 -14.590 1.568 1.184 1.00 70.11 C ATOM 2043 CG1 ILE A 132 -13.407 0.586 1.121 1.00 13.21 C ATOM 2044 CG2 ILE A 132 -15.551 1.263 0.022 1.00 62.23 C ATOM 2045 CD1 ILE A 132 -13.778 -0.809 1.636 1.00 44.34 C ATOM 0 H ILE A 132 -13.451 2.665 3.078 1.00 51.24 H new ATOM 0 HA ILE A 132 -13.355 3.080 0.297 1.00 24.41 H new ATOM 0 HB ILE A 132 -15.127 1.451 2.125 1.00 70.11 H new ATOM 0 HG12 ILE A 132 -13.057 0.509 0.092 1.00 13.21 H new ATOM 0 HG13 ILE A 132 -12.579 0.980 1.711 1.00 13.21 H new ATOM 0 HG21 ILE A 132 -15.898 0.233 0.098 1.00 62.23 H new ATOM 0 HG22 ILE A 132 -16.405 1.938 0.070 1.00 62.23 H new ATOM 0 HG23 ILE A 132 -15.031 1.402 -0.926 1.00 62.23 H new ATOM 0 HD11 ILE A 132 -12.909 -1.464 1.570 1.00 44.34 H new ATOM 0 HD12 ILE A 132 -14.102 -0.739 2.674 1.00 44.34 H new ATOM 0 HD13 ILE A 132 -14.587 -1.217 1.030 1.00 44.34 H new ATOM 2057 N ARG A 133 -15.972 4.459 1.772 1.00 0.42 N ATOM 2058 CA ARG A 133 -17.108 5.352 1.579 1.00 33.01 C ATOM 2059 C ARG A 133 -16.725 6.614 0.799 1.00 0.05 C ATOM 2060 O ARG A 133 -17.491 7.048 -0.057 1.00 34.45 O ATOM 2061 CB ARG A 133 -17.740 5.713 2.934 1.00 34.41 C ATOM 2062 CG ARG A 133 -18.386 4.528 3.674 1.00 12.23 C ATOM 2063 CD ARG A 133 -19.865 4.285 3.351 1.00 70.52 C ATOM 2064 NE ARG A 133 -20.057 3.647 2.040 1.00 64.03 N ATOM 2065 CZ ARG A 133 -21.203 3.092 1.614 1.00 62.43 C ATOM 2066 NH1 ARG A 133 -22.301 3.100 2.385 1.00 44.31 N ATOM 2067 NH2 ARG A 133 -21.249 2.525 0.403 1.00 75.24 N ATOM 0 H ARG A 133 -15.828 4.195 2.747 1.00 0.42 H new ATOM 0 HA ARG A 133 -17.845 4.820 0.978 1.00 33.01 H new ATOM 0 HB2 ARG A 133 -16.973 6.149 3.574 1.00 34.41 H new ATOM 0 HB3 ARG A 133 -18.497 6.481 2.774 1.00 34.41 H new ATOM 0 HG2 ARG A 133 -17.826 3.624 3.438 1.00 12.23 H new ATOM 0 HG3 ARG A 133 -18.287 4.693 4.747 1.00 12.23 H new ATOM 0 HD2 ARG A 133 -20.304 3.656 4.125 1.00 70.52 H new ATOM 0 HD3 ARG A 133 -20.399 5.235 3.371 1.00 70.52 H new ATOM 0 HE ARG A 133 -19.258 3.624 1.406 1.00 64.03 H new ATOM 0 HH11 ARG A 133 -22.272 3.532 3.309 1.00 44.31 H new ATOM 0 HH12 ARG A 133 -23.164 2.674 2.047 1.00 44.31 H new ATOM 0 HH21 ARG A 133 -20.418 2.517 -0.188 1.00 75.24 H new ATOM 0 HH22 ARG A 133 -22.115 2.101 0.071 1.00 75.24 H new ATOM 2081 N THR A 134 -15.541 7.187 1.053 1.00 1.33 N ATOM 2082 CA THR A 134 -15.089 8.380 0.340 1.00 14.23 C ATOM 2083 C THR A 134 -14.970 8.148 -1.175 1.00 73.34 C ATOM 2084 O THR A 134 -15.069 9.106 -1.939 1.00 1.21 O ATOM 2085 CB THR A 134 -13.778 8.927 0.929 1.00 51.43 C ATOM 2086 OG1 THR A 134 -12.715 8.009 0.763 1.00 5.10 O ATOM 2087 CG2 THR A 134 -13.938 9.290 2.410 1.00 12.12 C ATOM 0 H THR A 134 -14.881 6.840 1.749 1.00 1.33 H new ATOM 0 HA THR A 134 -15.859 9.138 0.482 1.00 14.23 H new ATOM 0 HB THR A 134 -13.535 9.836 0.378 1.00 51.43 H new ATOM 0 HG1 THR A 134 -12.959 7.150 1.166 1.00 5.10 H new ATOM 0 HG21 THR A 134 -12.993 9.673 2.795 1.00 12.12 H new ATOM 0 HG22 THR A 134 -14.709 10.053 2.516 1.00 12.12 H new ATOM 0 HG23 THR A 134 -14.226 8.402 2.973 1.00 12.12 H new