USER MOD reduce.3.24.130724 H: found=0, std=0, add=1101, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1101 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 82 ASN : amide:sc= -0.501 K(o=-6.4,f=-3.3) USER MOD Set 1.2: A 83 ASN : amide:sc= -5.94! K(o=-6.4!,f=-1.2) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 161:sc= 1.17 (180deg=0.914) USER MOD Single : A 11 ASN : amide:sc= -2.93! C(o=-2.9!,f=-5.9!) USER MOD Single : A 13 GLN : amide:sc= -3.7! C(o=-3.7!,f=-3.6!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -160:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 32 GLN : amide:sc= -1.2! C(o=-1.2!,f=-14!) USER MOD Single : A 36 MET CE :methyl -160:sc= -0.294 (180deg=-0.974) USER MOD Single : A 37 ASN : amide:sc= 0.295 K(o=0.3,f=-2.6) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -0.653 K(o=-0.65,f=-1.4) USER MOD Single : A 55 THR OG1 : rot 24:sc= -0.68 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -30:sc= 1.14 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -2.44! K(o=-2.4!,f=-0.28) USER MOD Single : A 84 ASN : amide:sc= -0.452 K(o=-0.45,f=-3.5!) USER MOD Single : A 94 GLN : amide:sc= -3.69! K(o=-3.7!,f=-1) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0199 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 79:sc= 0.805 USER MOD Single : A 119 HIS : no HD1:sc= -0.218 X(o=-0.22,f=0.042) USER MOD Single : A 122 MET CE :methyl -148:sc= -0.718 (180deg=-2.34!) USER MOD Single : A 125 HIS : no HD1:sc= -0.0816 X(o=-0.082,f=-0.026) USER MOD Single : A 128 SER OG : rot 76:sc= 1.04 USER MOD Single : A 130 ASN : amide:sc= -0.376 K(o=-0.38,f=-3.3!) USER MOD Single : A 131 TYR OH : rot 180:sc= -0.171 USER MOD Single : A 136 SER OG : rot 78:sc= 0.903 USER MOD Single : A 143 GLN : amide:sc= -0.231 K(o=-0.23,f=-4.5!) USER MOD Single : A 144 GLN : amide:sc= -0.814 K(o=-0.81,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL A 3 5.659 -3.140 18.125 1.00 60.11 N ATOM 45 CA VAL A 3 6.717 -3.269 17.115 1.00 0.34 C ATOM 46 C VAL A 3 6.647 -4.593 16.331 1.00 51.52 C ATOM 47 O VAL A 3 6.787 -5.681 16.896 1.00 61.11 O ATOM 48 CB VAL A 3 8.118 -3.130 17.762 1.00 3.14 C ATOM 49 CG1 VAL A 3 9.224 -3.269 16.716 1.00 22.00 C ATOM 50 CG2 VAL A 3 8.239 -1.799 18.506 1.00 41.34 C ATOM 0 HA VAL A 3 6.553 -2.458 16.406 1.00 0.34 H new ATOM 0 HB VAL A 3 8.237 -3.938 18.483 1.00 3.14 H new ATOM 0 HG11 VAL A 3 10.196 -3.167 17.199 1.00 22.00 H new ATOM 0 HG12 VAL A 3 9.155 -4.248 16.242 1.00 22.00 H new ATOM 0 HG13 VAL A 3 9.111 -2.491 15.961 1.00 22.00 H new ATOM 0 HG21 VAL A 3 9.230 -1.721 18.953 1.00 41.34 H new ATOM 0 HG22 VAL A 3 8.091 -0.976 17.806 1.00 41.34 H new ATOM 0 HG23 VAL A 3 7.483 -1.750 19.289 1.00 41.34 H new ATOM 60 N TYR A 4 6.434 -4.479 15.020 1.00 62.53 N ATOM 61 CA TYR A 4 6.452 -5.631 14.109 1.00 62.03 C ATOM 62 C TYR A 4 7.691 -5.611 13.199 1.00 33.12 C ATOM 63 O TYR A 4 8.246 -4.550 12.900 1.00 2.42 O ATOM 64 CB TYR A 4 5.186 -5.650 13.233 1.00 2.11 C ATOM 65 CG TYR A 4 3.962 -6.233 13.913 1.00 73.21 C ATOM 66 CD1 TYR A 4 3.697 -7.596 13.839 1.00 2.11 C ATOM 67 CD2 TYR A 4 3.075 -5.431 14.622 1.00 15.44 C ATOM 68 CE1 TYR A 4 2.586 -8.141 14.447 1.00 35.21 C ATOM 69 CE2 TYR A 4 1.961 -5.973 15.233 1.00 60.04 C ATOM 70 CZ TYR A 4 1.722 -7.329 15.144 1.00 40.43 C ATOM 71 OH TYR A 4 0.616 -7.874 15.756 1.00 52.55 O ATOM 0 H TYR A 4 6.244 -3.590 14.558 1.00 62.53 H new ATOM 0 HA TYR A 4 6.485 -6.528 14.727 1.00 62.03 H new ATOM 0 HB2 TYR A 4 4.961 -4.631 12.919 1.00 2.11 H new ATOM 0 HB3 TYR A 4 5.393 -6.224 12.330 1.00 2.11 H new ATOM 0 HD1 TYR A 4 4.373 -8.239 13.296 1.00 2.11 H new ATOM 0 HD2 TYR A 4 3.259 -4.369 14.696 1.00 15.44 H new ATOM 0 HE1 TYR A 4 2.395 -9.202 14.376 1.00 35.21 H new ATOM 0 HE2 TYR A 4 1.279 -5.337 15.779 1.00 60.04 H new ATOM 0 HH TYR A 4 0.110 -7.166 16.207 1.00 52.55 H new ATOM 81 N LYS A 5 8.121 -6.793 12.766 1.00 41.35 N ATOM 82 CA LYS A 5 9.204 -6.917 11.780 1.00 33.13 C ATOM 83 C LYS A 5 8.657 -7.461 10.452 1.00 14.41 C ATOM 84 O LYS A 5 7.624 -8.128 10.434 1.00 20.12 O ATOM 85 CB LYS A 5 10.297 -7.868 12.285 1.00 14.30 C ATOM 86 CG LYS A 5 10.960 -7.456 13.593 1.00 73.33 C ATOM 87 CD LYS A 5 12.160 -8.351 13.900 1.00 42.23 C ATOM 88 CE LYS A 5 11.772 -9.830 13.946 1.00 42.40 C ATOM 89 NZ LYS A 5 12.960 -10.721 13.924 1.00 31.45 N ATOM 0 H LYS A 5 7.738 -7.685 13.080 1.00 41.35 H new ATOM 0 HA LYS A 5 9.629 -5.924 11.629 1.00 33.13 H new ATOM 0 HB2 LYS A 5 9.863 -8.860 12.413 1.00 14.30 H new ATOM 0 HB3 LYS A 5 11.066 -7.953 11.517 1.00 14.30 H new ATOM 0 HG2 LYS A 5 11.283 -6.417 13.531 1.00 73.33 H new ATOM 0 HG3 LYS A 5 10.238 -7.517 14.407 1.00 73.33 H new ATOM 0 HD2 LYS A 5 12.928 -8.201 13.142 1.00 42.23 H new ATOM 0 HD3 LYS A 5 12.595 -8.060 14.856 1.00 42.23 H new ATOM 0 HE2 LYS A 5 11.191 -10.024 14.848 1.00 42.40 H new ATOM 0 HE3 LYS A 5 11.130 -10.062 13.097 1.00 42.40 H new ATOM 0 HZ1 LYS A 5 12.694 -11.664 14.273 1.00 31.45 H new ATOM 0 HZ2 LYS A 5 13.316 -10.801 12.950 1.00 31.45 H new ATOM 0 HZ3 LYS A 5 13.703 -10.323 14.533 1.00 31.45 H new ATOM 103 N PRO A 6 9.358 -7.228 9.322 1.00 61.52 N ATOM 104 CA PRO A 6 8.937 -7.771 8.018 1.00 14.34 C ATOM 105 C PRO A 6 8.941 -9.308 8.025 1.00 42.44 C ATOM 106 O PRO A 6 8.204 -9.955 7.287 1.00 42.02 O ATOM 107 CB PRO A 6 9.990 -7.218 7.040 1.00 13.31 C ATOM 108 CG PRO A 6 11.168 -6.878 7.893 1.00 14.11 C ATOM 109 CD PRO A 6 10.606 -6.442 9.217 1.00 44.24 C ATOM 0 HA PRO A 6 7.919 -7.486 7.752 1.00 14.34 H new ATOM 0 HB2 PRO A 6 10.251 -7.957 6.282 1.00 13.31 H new ATOM 0 HB3 PRO A 6 9.617 -6.339 6.514 1.00 13.31 H new ATOM 0 HG2 PRO A 6 11.825 -7.739 8.012 1.00 14.11 H new ATOM 0 HG3 PRO A 6 11.762 -6.084 7.440 1.00 14.11 H new ATOM 0 HD2 PRO A 6 11.290 -6.659 10.037 1.00 44.24 H new ATOM 0 HD3 PRO A 6 10.411 -5.370 9.240 1.00 44.24 H new ATOM 117 N GLU A 7 9.778 -9.877 8.892 1.00 62.43 N ATOM 118 CA GLU A 7 9.879 -11.332 9.066 1.00 53.32 C ATOM 119 C GLU A 7 8.732 -11.865 9.940 1.00 63.22 C ATOM 120 O GLU A 7 8.410 -13.051 9.911 1.00 2.52 O ATOM 121 CB GLU A 7 11.221 -11.668 9.730 1.00 52.51 C ATOM 122 CG GLU A 7 12.402 -10.890 9.158 1.00 31.25 C ATOM 123 CD GLU A 7 13.664 -11.042 9.992 1.00 20.21 C ATOM 124 OE1 GLU A 7 13.638 -10.672 11.187 1.00 55.50 O ATOM 125 OE2 GLU A 7 14.684 -11.523 9.460 1.00 53.01 O ATOM 0 H GLU A 7 10.406 -9.346 9.495 1.00 62.43 H new ATOM 0 HA GLU A 7 9.813 -11.804 8.086 1.00 53.32 H new ATOM 0 HB2 GLU A 7 11.148 -11.466 10.799 1.00 52.51 H new ATOM 0 HB3 GLU A 7 11.413 -12.735 9.620 1.00 52.51 H new ATOM 0 HG2 GLU A 7 12.599 -11.232 8.142 1.00 31.25 H new ATOM 0 HG3 GLU A 7 12.139 -9.834 9.093 1.00 31.25 H new ATOM 132 N ASP A 8 8.124 -10.966 10.712 1.00 10.11 N ATOM 133 CA ASP A 8 7.091 -11.330 11.690 1.00 60.11 C ATOM 134 C ASP A 8 5.672 -11.196 11.092 1.00 4.44 C ATOM 135 O ASP A 8 4.727 -11.851 11.540 1.00 32.42 O ATOM 136 CB ASP A 8 7.252 -10.431 12.926 1.00 54.03 C ATOM 137 CG ASP A 8 6.375 -10.846 14.091 1.00 51.32 C ATOM 138 OD1 ASP A 8 6.638 -11.905 14.696 1.00 1.21 O ATOM 139 OD2 ASP A 8 5.425 -10.109 14.418 1.00 62.32 O ATOM 0 H ASP A 8 8.330 -9.968 10.680 1.00 10.11 H new ATOM 0 HA ASP A 8 7.216 -12.375 11.973 1.00 60.11 H new ATOM 0 HB2 ASP A 8 8.295 -10.445 13.243 1.00 54.03 H new ATOM 0 HB3 ASP A 8 7.016 -9.403 12.651 1.00 54.03 H new ATOM 144 N VAL A 9 5.540 -10.347 10.073 1.00 11.30 N ATOM 145 CA VAL A 9 4.259 -10.131 9.384 1.00 32.24 C ATOM 146 C VAL A 9 3.805 -11.392 8.617 1.00 42.42 C ATOM 147 O VAL A 9 4.597 -12.005 7.897 1.00 43.20 O ATOM 148 CB VAL A 9 4.372 -8.943 8.393 1.00 12.43 C ATOM 149 CG1 VAL A 9 3.068 -8.722 7.630 1.00 21.21 C ATOM 150 CG2 VAL A 9 4.792 -7.671 9.127 1.00 34.42 C ATOM 0 H VAL A 9 6.310 -9.791 9.701 1.00 11.30 H new ATOM 0 HA VAL A 9 3.515 -9.905 10.148 1.00 32.24 H new ATOM 0 HB VAL A 9 5.141 -9.193 7.662 1.00 12.43 H new ATOM 0 HG11 VAL A 9 3.185 -7.882 6.945 1.00 21.21 H new ATOM 0 HG12 VAL A 9 2.821 -9.620 7.064 1.00 21.21 H new ATOM 0 HG13 VAL A 9 2.266 -8.506 8.336 1.00 21.21 H new ATOM 0 HG21 VAL A 9 4.866 -6.848 8.416 1.00 34.42 H new ATOM 0 HG22 VAL A 9 4.050 -7.428 9.887 1.00 34.42 H new ATOM 0 HG23 VAL A 9 5.760 -7.828 9.602 1.00 34.42 H new ATOM 160 N PRO A 10 2.524 -11.803 8.767 1.00 62.21 N ATOM 161 CA PRO A 10 1.978 -12.983 8.064 1.00 24.31 C ATOM 162 C PRO A 10 2.042 -12.856 6.530 1.00 63.23 C ATOM 163 O PRO A 10 1.470 -11.937 5.940 1.00 11.01 O ATOM 164 CB PRO A 10 0.518 -13.052 8.548 1.00 73.41 C ATOM 165 CG PRO A 10 0.218 -11.688 9.074 1.00 52.11 C ATOM 166 CD PRO A 10 1.512 -11.171 9.635 1.00 65.33 C ATOM 0 HA PRO A 10 2.555 -13.881 8.285 1.00 24.31 H new ATOM 0 HB2 PRO A 10 -0.155 -13.317 7.733 1.00 73.41 H new ATOM 0 HB3 PRO A 10 0.395 -13.809 9.322 1.00 73.41 H new ATOM 0 HG2 PRO A 10 -0.153 -11.037 8.283 1.00 52.11 H new ATOM 0 HG3 PRO A 10 -0.554 -11.727 9.843 1.00 52.11 H new ATOM 0 HD2 PRO A 10 1.565 -10.083 9.591 1.00 65.33 H new ATOM 0 HD3 PRO A 10 1.642 -11.455 10.679 1.00 65.33 H new ATOM 174 N ASN A 11 2.735 -13.793 5.887 1.00 20.32 N ATOM 175 CA ASN A 11 2.897 -13.779 4.428 1.00 53.12 C ATOM 176 C ASN A 11 1.582 -14.108 3.684 1.00 44.11 C ATOM 177 O ASN A 11 1.324 -15.255 3.327 1.00 73.33 O ATOM 178 CB ASN A 11 4.016 -14.747 4.007 1.00 71.32 C ATOM 179 CG ASN A 11 3.928 -16.089 4.721 1.00 10.23 C ATOM 180 OD1 ASN A 11 3.220 -16.991 4.303 1.00 5.52 O ATOM 181 ND2 ASN A 11 4.671 -16.238 5.797 1.00 45.51 N ATOM 0 H ASN A 11 3.196 -14.575 6.352 1.00 20.32 H new ATOM 0 HA ASN A 11 3.175 -12.764 4.143 1.00 53.12 H new ATOM 0 HB2 ASN A 11 3.966 -14.908 2.930 1.00 71.32 H new ATOM 0 HB3 ASN A 11 4.984 -14.291 4.216 1.00 71.32 H new ATOM 0 HD21 ASN A 11 4.664 -17.124 6.303 1.00 45.51 H new ATOM 0 HD22 ASN A 11 5.254 -15.468 6.125 1.00 45.51 H new ATOM 188 N VAL A 12 0.754 -13.089 3.449 1.00 70.32 N ATOM 189 CA VAL A 12 -0.521 -13.283 2.737 1.00 50.04 C ATOM 190 C VAL A 12 -0.311 -13.637 1.250 1.00 2.32 C ATOM 191 O VAL A 12 -1.144 -14.302 0.640 1.00 3.21 O ATOM 192 CB VAL A 12 -1.446 -12.046 2.856 1.00 72.32 C ATOM 193 CG1 VAL A 12 -1.841 -11.808 4.313 1.00 22.32 C ATOM 194 CG2 VAL A 12 -0.782 -10.805 2.265 1.00 24.51 C ATOM 0 H VAL A 12 0.936 -12.127 3.736 1.00 70.32 H new ATOM 0 HA VAL A 12 -1.009 -14.128 3.224 1.00 50.04 H new ATOM 0 HB VAL A 12 -2.352 -12.245 2.283 1.00 72.32 H new ATOM 0 HG11 VAL A 12 -2.491 -10.935 4.376 1.00 22.32 H new ATOM 0 HG12 VAL A 12 -2.370 -12.682 4.694 1.00 22.32 H new ATOM 0 HG13 VAL A 12 -0.945 -11.637 4.910 1.00 22.32 H new ATOM 0 HG21 VAL A 12 -1.454 -9.952 2.362 1.00 24.51 H new ATOM 0 HG22 VAL A 12 0.146 -10.599 2.799 1.00 24.51 H new ATOM 0 HG23 VAL A 12 -0.563 -10.976 1.211 1.00 24.51 H new ATOM 204 N GLN A 13 0.814 -13.205 0.673 1.00 55.23 N ATOM 205 CA GLN A 13 1.182 -13.601 -0.701 1.00 54.31 C ATOM 206 C GLN A 13 1.965 -14.927 -0.712 1.00 33.30 C ATOM 207 O GLN A 13 2.818 -15.168 -1.573 1.00 51.22 O ATOM 208 CB GLN A 13 1.982 -12.481 -1.390 1.00 40.44 C ATOM 209 CG GLN A 13 1.107 -11.473 -2.138 1.00 30.43 C ATOM 210 CD GLN A 13 0.017 -10.867 -1.271 1.00 61.34 C ATOM 211 OE1 GLN A 13 0.215 -9.848 -0.625 1.00 71.43 O ATOM 212 NE2 GLN A 13 -1.144 -11.492 -1.254 1.00 71.52 N ATOM 0 H GLN A 13 1.485 -12.585 1.127 1.00 55.23 H new ATOM 0 HA GLN A 13 0.262 -13.760 -1.263 1.00 54.31 H new ATOM 0 HB2 GLN A 13 2.570 -11.952 -0.640 1.00 40.44 H new ATOM 0 HB3 GLN A 13 2.687 -12.928 -2.091 1.00 40.44 H new ATOM 0 HG2 GLN A 13 1.737 -10.674 -2.529 1.00 30.43 H new ATOM 0 HG3 GLN A 13 0.648 -11.966 -2.995 1.00 30.43 H new ATOM 0 HE21 GLN A 13 -1.275 -12.340 -1.805 1.00 71.52 H new ATOM 0 HE22 GLN A 13 -1.911 -11.127 -0.690 1.00 71.52 H new ATOM 221 N LEU A 14 1.648 -15.782 0.254 1.00 22.44 N ATOM 222 CA LEU A 14 2.190 -17.142 0.337 1.00 64.30 C ATOM 223 C LEU A 14 1.085 -18.073 0.863 1.00 1.41 C ATOM 224 O LEU A 14 0.799 -19.117 0.276 1.00 43.11 O ATOM 225 CB LEU A 14 3.427 -17.162 1.256 1.00 4.45 C ATOM 226 CG LEU A 14 4.392 -18.358 1.098 1.00 32.51 C ATOM 227 CD1 LEU A 14 5.664 -18.127 1.912 1.00 61.52 C ATOM 228 CD2 LEU A 14 3.734 -19.675 1.511 1.00 63.42 C ATOM 0 H LEU A 14 1.003 -15.553 1.010 1.00 22.44 H new ATOM 0 HA LEU A 14 2.509 -17.487 -0.647 1.00 64.30 H new ATOM 0 HB2 LEU A 14 3.991 -16.245 1.086 1.00 4.45 H new ATOM 0 HB3 LEU A 14 3.083 -17.137 2.290 1.00 4.45 H new ATOM 0 HG LEU A 14 4.651 -18.433 0.042 1.00 32.51 H new ATOM 0 HD11 LEU A 14 6.334 -18.978 1.790 1.00 61.52 H new ATOM 0 HD12 LEU A 14 6.161 -17.222 1.562 1.00 61.52 H new ATOM 0 HD13 LEU A 14 5.407 -18.016 2.965 1.00 61.52 H new ATOM 0 HD21 LEU A 14 4.445 -20.492 1.385 1.00 63.42 H new ATOM 0 HD22 LEU A 14 3.428 -19.617 2.556 1.00 63.42 H new ATOM 0 HD23 LEU A 14 2.859 -19.856 0.887 1.00 63.42 H new ATOM 240 N ALA A 15 0.470 -17.667 1.976 1.00 0.15 N ATOM 241 CA ALA A 15 -0.728 -18.326 2.504 1.00 1.02 C ATOM 242 C ALA A 15 -1.959 -17.419 2.326 1.00 25.31 C ATOM 243 O ALA A 15 -1.991 -16.301 2.850 1.00 34.14 O ATOM 244 CB ALA A 15 -0.533 -18.676 3.976 1.00 32.13 C ATOM 0 H ALA A 15 0.787 -16.875 2.535 1.00 0.15 H new ATOM 0 HA ALA A 15 -0.894 -19.248 1.947 1.00 1.02 H new ATOM 0 HB1 ALA A 15 -1.430 -19.165 4.356 1.00 32.13 H new ATOM 0 HB2 ALA A 15 0.318 -19.348 4.080 1.00 32.13 H new ATOM 0 HB3 ALA A 15 -0.348 -17.765 4.545 1.00 32.13 H new ATOM 250 N ASP A 16 -2.963 -17.911 1.588 1.00 2.34 N ATOM 251 CA ASP A 16 -4.183 -17.146 1.266 1.00 22.21 C ATOM 252 C ASP A 16 -3.896 -16.016 0.258 1.00 20.13 C ATOM 253 O ASP A 16 -4.347 -14.882 0.430 1.00 40.14 O ATOM 254 CB ASP A 16 -4.843 -16.583 2.537 1.00 41.24 C ATOM 255 CG ASP A 16 -5.365 -17.676 3.452 1.00 40.11 C ATOM 256 OD1 ASP A 16 -4.581 -18.200 4.268 1.00 72.31 O ATOM 257 OD2 ASP A 16 -6.566 -18.013 3.364 1.00 52.50 O ATOM 0 H ASP A 16 -2.956 -18.852 1.195 1.00 2.34 H new ATOM 0 HA ASP A 16 -4.882 -17.840 0.799 1.00 22.21 H new ATOM 0 HB2 ASP A 16 -4.120 -15.974 3.079 1.00 41.24 H new ATOM 0 HB3 ASP A 16 -5.665 -15.926 2.255 1.00 41.24 H new ATOM 262 N SER A 17 -3.193 -16.358 -0.824 1.00 54.22 N ATOM 263 CA SER A 17 -2.799 -15.382 -1.861 1.00 4.14 C ATOM 264 C SER A 17 -4.006 -14.682 -2.518 1.00 43.32 C ATOM 265 O SER A 17 -3.837 -13.709 -3.255 1.00 51.34 O ATOM 266 CB SER A 17 -1.956 -16.067 -2.943 1.00 32.11 C ATOM 267 OG SER A 17 -2.678 -17.116 -3.577 1.00 61.23 O ATOM 0 H SER A 17 -2.879 -17.310 -1.012 1.00 54.22 H new ATOM 0 HA SER A 17 -2.212 -14.615 -1.356 1.00 4.14 H new ATOM 0 HB2 SER A 17 -1.650 -15.332 -3.688 1.00 32.11 H new ATOM 0 HB3 SER A 17 -1.045 -16.468 -2.498 1.00 32.11 H new ATOM 0 HG SER A 17 -2.115 -17.532 -4.263 1.00 61.23 H new ATOM 273 N THR A 18 -5.218 -15.188 -2.276 1.00 54.41 N ATOM 274 CA THR A 18 -6.443 -14.523 -2.757 1.00 53.11 C ATOM 275 C THR A 18 -6.582 -13.113 -2.165 1.00 4.20 C ATOM 276 O THR A 18 -7.079 -12.201 -2.827 1.00 50.15 O ATOM 277 CB THR A 18 -7.727 -15.332 -2.434 1.00 43.34 C ATOM 278 OG1 THR A 18 -8.896 -14.587 -2.825 1.00 20.52 O ATOM 279 CG2 THR A 18 -7.812 -15.678 -0.948 1.00 21.31 C ATOM 0 H THR A 18 -5.382 -16.049 -1.754 1.00 54.41 H new ATOM 0 HA THR A 18 -6.340 -14.459 -3.840 1.00 53.11 H new ATOM 0 HB THR A 18 -7.681 -16.263 -2.999 1.00 43.34 H new ATOM 0 HG1 THR A 18 -9.700 -15.108 -2.618 1.00 20.52 H new ATOM 0 HG21 THR A 18 -8.724 -16.245 -0.758 1.00 21.31 H new ATOM 0 HG22 THR A 18 -6.947 -16.277 -0.664 1.00 21.31 H new ATOM 0 HG23 THR A 18 -7.826 -14.760 -0.361 1.00 21.31 H new ATOM 287 N ARG A 19 -6.141 -12.942 -0.918 1.00 33.44 N ATOM 288 CA ARG A 19 -6.133 -11.622 -0.279 1.00 41.21 C ATOM 289 C ARG A 19 -4.746 -10.981 -0.396 1.00 33.35 C ATOM 290 O ARG A 19 -3.725 -11.620 -0.133 1.00 31.42 O ATOM 291 CB ARG A 19 -6.539 -11.711 1.206 1.00 20.24 C ATOM 292 CG ARG A 19 -5.559 -12.495 2.075 1.00 42.11 C ATOM 293 CD ARG A 19 -5.837 -12.321 3.565 1.00 43.31 C ATOM 294 NE ARG A 19 -7.205 -12.697 3.926 1.00 13.43 N ATOM 295 CZ ARG A 19 -7.510 -13.671 4.741 1.00 63.45 C ATOM 296 NH1 ARG A 19 -6.582 -14.404 5.270 1.00 64.12 N ATOM 297 NH2 ARG A 19 -8.749 -13.910 5.018 1.00 15.02 N ATOM 0 H ARG A 19 -5.786 -13.697 -0.331 1.00 33.44 H new ATOM 0 HA ARG A 19 -6.864 -11.002 -0.797 1.00 41.21 H new ATOM 0 HB2 ARG A 19 -6.635 -10.702 1.606 1.00 20.24 H new ATOM 0 HB3 ARG A 19 -7.522 -12.177 1.275 1.00 20.24 H new ATOM 0 HG2 ARG A 19 -5.616 -13.553 1.818 1.00 42.11 H new ATOM 0 HG3 ARG A 19 -4.542 -12.168 1.857 1.00 42.11 H new ATOM 0 HD2 ARG A 19 -5.134 -12.927 4.136 1.00 43.31 H new ATOM 0 HD3 ARG A 19 -5.663 -11.282 3.845 1.00 43.31 H new ATOM 0 HE ARG A 19 -7.970 -12.163 3.514 1.00 13.43 H new ATOM 0 HH11 ARG A 19 -5.602 -14.223 5.051 1.00 64.12 H new ATOM 0 HH12 ARG A 19 -6.831 -15.162 5.905 1.00 64.12 H new ATOM 0 HH21 ARG A 19 -9.484 -13.339 4.601 1.00 15.02 H new ATOM 0 HH22 ARG A 19 -8.992 -14.670 5.654 1.00 15.02 H new ATOM 311 N LEU A 20 -4.703 -9.723 -0.803 1.00 3.02 N ATOM 312 CA LEU A 20 -3.434 -9.002 -0.916 1.00 52.02 C ATOM 313 C LEU A 20 -3.308 -7.938 0.186 1.00 53.11 C ATOM 314 O LEU A 20 -2.431 -7.082 0.144 1.00 54.40 O ATOM 315 CB LEU A 20 -3.285 -8.380 -2.313 1.00 31.20 C ATOM 316 CG LEU A 20 -3.210 -9.389 -3.481 1.00 23.43 C ATOM 317 CD1 LEU A 20 -4.589 -9.940 -3.837 1.00 61.13 C ATOM 318 CD2 LEU A 20 -2.548 -8.757 -4.702 1.00 62.10 C ATOM 0 H LEU A 20 -5.525 -9.177 -1.061 1.00 3.02 H new ATOM 0 HA LEU A 20 -2.622 -9.716 -0.780 1.00 52.02 H new ATOM 0 HB2 LEU A 20 -4.128 -7.711 -2.486 1.00 31.20 H new ATOM 0 HB3 LEU A 20 -2.384 -7.767 -2.326 1.00 31.20 H new ATOM 0 HG LEU A 20 -2.596 -10.227 -3.152 1.00 23.43 H new ATOM 0 HD11 LEU A 20 -4.497 -10.646 -4.662 1.00 61.13 H new ATOM 0 HD12 LEU A 20 -5.013 -10.448 -2.971 1.00 61.13 H new ATOM 0 HD13 LEU A 20 -5.243 -9.120 -4.133 1.00 61.13 H new ATOM 0 HD21 LEU A 20 -2.506 -9.486 -5.511 1.00 62.10 H new ATOM 0 HD22 LEU A 20 -3.127 -7.891 -5.023 1.00 62.10 H new ATOM 0 HD23 LEU A 20 -1.537 -8.442 -4.445 1.00 62.10 H new ATOM 330 N VAL A 21 -4.193 -8.015 1.181 1.00 12.42 N ATOM 331 CA VAL A 21 -4.181 -7.086 2.319 1.00 20.12 C ATOM 332 C VAL A 21 -3.758 -7.794 3.621 1.00 11.43 C ATOM 333 O VAL A 21 -4.036 -8.978 3.819 1.00 12.23 O ATOM 334 CB VAL A 21 -5.577 -6.437 2.516 1.00 24.43 C ATOM 335 CG1 VAL A 21 -5.594 -5.517 3.737 1.00 22.42 C ATOM 336 CG2 VAL A 21 -5.995 -5.672 1.263 1.00 13.33 C ATOM 0 H VAL A 21 -4.933 -8.715 1.224 1.00 12.42 H new ATOM 0 HA VAL A 21 -3.451 -6.309 2.092 1.00 20.12 H new ATOM 0 HB VAL A 21 -6.296 -7.238 2.690 1.00 24.43 H new ATOM 0 HG11 VAL A 21 -6.585 -5.078 3.848 1.00 22.42 H new ATOM 0 HG12 VAL A 21 -5.350 -6.093 4.630 1.00 22.42 H new ATOM 0 HG13 VAL A 21 -4.858 -4.724 3.605 1.00 22.42 H new ATOM 0 HG21 VAL A 21 -6.976 -5.224 1.421 1.00 13.33 H new ATOM 0 HG22 VAL A 21 -5.267 -4.888 1.056 1.00 13.33 H new ATOM 0 HG23 VAL A 21 -6.041 -6.357 0.417 1.00 13.33 H new ATOM 346 N THR A 22 -3.072 -7.061 4.497 1.00 4.54 N ATOM 347 CA THR A 22 -2.663 -7.578 5.812 1.00 73.14 C ATOM 348 C THR A 22 -3.030 -6.581 6.922 1.00 74.41 C ATOM 349 O THR A 22 -2.623 -5.416 6.883 1.00 22.50 O ATOM 350 CB THR A 22 -1.139 -7.851 5.862 1.00 23.12 C ATOM 351 OG1 THR A 22 -0.766 -8.759 4.814 1.00 30.32 O ATOM 352 CG2 THR A 22 -0.719 -8.431 7.207 1.00 24.25 C ATOM 0 H THR A 22 -2.783 -6.098 4.322 1.00 4.54 H new ATOM 0 HA THR A 22 -3.195 -8.516 5.971 1.00 73.14 H new ATOM 0 HB THR A 22 -0.628 -6.898 5.725 1.00 23.12 H new ATOM 0 HG1 THR A 22 0.097 -9.171 5.030 1.00 30.32 H new ATOM 0 HG21 THR A 22 0.356 -8.610 7.206 1.00 24.25 H new ATOM 0 HG22 THR A 22 -0.969 -7.727 8.001 1.00 24.25 H new ATOM 0 HG23 THR A 22 -1.243 -9.371 7.377 1.00 24.25 H new ATOM 360 N ASP A 23 -3.791 -7.034 7.916 1.00 73.31 N ATOM 361 CA ASP A 23 -4.297 -6.148 8.969 1.00 4.11 C ATOM 362 C ASP A 23 -3.707 -6.481 10.354 1.00 12.20 C ATOM 363 O ASP A 23 -4.282 -7.243 11.129 1.00 2.05 O ATOM 364 CB ASP A 23 -5.834 -6.197 9.000 1.00 52.13 C ATOM 365 CG ASP A 23 -6.373 -7.610 9.156 1.00 61.13 C ATOM 366 OD1 ASP A 23 -6.209 -8.421 8.216 1.00 24.02 O ATOM 367 OD2 ASP A 23 -6.976 -7.911 10.209 1.00 25.03 O ATOM 0 H ASP A 23 -4.072 -8.009 8.017 1.00 73.31 H new ATOM 0 HA ASP A 23 -3.974 -5.135 8.731 1.00 4.11 H new ATOM 0 HB2 ASP A 23 -6.197 -5.581 9.823 1.00 52.13 H new ATOM 0 HB3 ASP A 23 -6.226 -5.762 8.080 1.00 52.13 H new ATOM 372 N GLU A 24 -2.538 -5.917 10.650 1.00 31.32 N ATOM 373 CA GLU A 24 -1.923 -6.046 11.978 1.00 52.30 C ATOM 374 C GLU A 24 -2.194 -4.797 12.826 1.00 11.33 C ATOM 375 O GLU A 24 -2.423 -4.889 14.032 1.00 43.54 O ATOM 376 CB GLU A 24 -0.413 -6.310 11.838 1.00 33.41 C ATOM 377 CG GLU A 24 -0.010 -7.770 12.057 1.00 1.31 C ATOM 378 CD GLU A 24 -1.041 -8.766 11.543 1.00 33.13 C ATOM 379 OE1 GLU A 24 -1.187 -8.900 10.315 1.00 73.02 O ATOM 380 OE2 GLU A 24 -1.710 -9.419 12.377 1.00 70.24 O ATOM 0 H GLU A 24 -1.993 -5.364 9.989 1.00 31.32 H new ATOM 0 HA GLU A 24 -2.372 -6.896 12.492 1.00 52.30 H new ATOM 0 HB2 GLU A 24 -0.092 -6.001 10.843 1.00 33.41 H new ATOM 0 HB3 GLU A 24 0.122 -5.686 12.554 1.00 33.41 H new ATOM 0 HG2 GLU A 24 0.942 -7.955 11.560 1.00 1.31 H new ATOM 0 HG3 GLU A 24 0.149 -7.940 13.122 1.00 1.31 H new ATOM 387 N ALA A 25 -2.157 -3.629 12.191 1.00 20.21 N ATOM 388 CA ALA A 25 -2.593 -2.389 12.840 1.00 44.14 C ATOM 389 C ALA A 25 -4.118 -2.375 13.041 1.00 61.41 C ATOM 390 O ALA A 25 -4.631 -1.721 13.947 1.00 33.22 O ATOM 391 CB ALA A 25 -2.159 -1.181 12.017 1.00 72.35 C ATOM 0 H ALA A 25 -1.832 -3.512 11.231 1.00 20.21 H new ATOM 0 HA ALA A 25 -2.121 -2.338 13.821 1.00 44.14 H new ATOM 0 HB1 ALA A 25 -2.489 -0.267 12.510 1.00 72.35 H new ATOM 0 HB2 ALA A 25 -1.073 -1.173 11.928 1.00 72.35 H new ATOM 0 HB3 ALA A 25 -2.604 -1.238 11.024 1.00 72.35 H new ATOM 397 N GLY A 26 -4.834 -3.106 12.183 1.00 34.32 N ATOM 398 CA GLY A 26 -6.292 -3.181 12.282 1.00 73.04 C ATOM 399 C GLY A 26 -6.990 -1.874 11.906 1.00 65.33 C ATOM 400 O GLY A 26 -8.106 -1.605 12.350 1.00 45.31 O ATOM 0 H GLY A 26 -4.432 -3.649 11.419 1.00 34.32 H new ATOM 0 HA2 GLY A 26 -6.653 -3.978 11.632 1.00 73.04 H new ATOM 0 HA3 GLY A 26 -6.567 -3.452 13.301 1.00 73.04 H new ATOM 404 N LEU A 27 -6.334 -1.066 11.074 1.00 74.40 N ATOM 405 CA LEU A 27 -6.865 0.245 10.668 1.00 41.25 C ATOM 406 C LEU A 27 -7.809 0.133 9.455 1.00 74.33 C ATOM 407 O LEU A 27 -8.193 1.140 8.863 1.00 11.15 O ATOM 408 CB LEU A 27 -5.698 1.190 10.338 1.00 30.42 C ATOM 409 CG LEU A 27 -4.696 1.419 11.483 1.00 55.23 C ATOM 410 CD1 LEU A 27 -3.513 2.257 11.005 1.00 25.23 C ATOM 411 CD2 LEU A 27 -5.382 2.083 12.674 1.00 12.05 C ATOM 0 H LEU A 27 -5.429 -1.294 10.663 1.00 74.40 H new ATOM 0 HA LEU A 27 -7.446 0.645 11.499 1.00 41.25 H new ATOM 0 HB2 LEU A 27 -5.159 0.789 9.480 1.00 30.42 H new ATOM 0 HB3 LEU A 27 -6.107 2.154 10.036 1.00 30.42 H new ATOM 0 HG LEU A 27 -4.318 0.449 11.805 1.00 55.23 H new ATOM 0 HD11 LEU A 27 -2.817 2.407 11.830 1.00 25.23 H new ATOM 0 HD12 LEU A 27 -3.005 1.739 10.191 1.00 25.23 H new ATOM 0 HD13 LEU A 27 -3.871 3.224 10.652 1.00 25.23 H new ATOM 0 HD21 LEU A 27 -4.656 2.236 13.473 1.00 12.05 H new ATOM 0 HD22 LEU A 27 -5.793 3.045 12.367 1.00 12.05 H new ATOM 0 HD23 LEU A 27 -6.187 1.443 13.033 1.00 12.05 H new ATOM 423 N LEU A 28 -8.186 -1.094 9.097 1.00 61.22 N ATOM 424 CA LEU A 28 -9.059 -1.341 7.943 1.00 13.52 C ATOM 425 C LEU A 28 -10.357 -2.051 8.362 1.00 3.12 C ATOM 426 O LEU A 28 -10.325 -3.153 8.909 1.00 10.42 O ATOM 427 CB LEU A 28 -8.319 -2.184 6.891 1.00 45.43 C ATOM 428 CG LEU A 28 -7.063 -1.531 6.289 1.00 14.10 C ATOM 429 CD1 LEU A 28 -6.359 -2.488 5.331 1.00 64.43 C ATOM 430 CD2 LEU A 28 -7.421 -0.228 5.577 1.00 61.00 C ATOM 0 H LEU A 28 -7.900 -1.939 9.591 1.00 61.22 H new ATOM 0 HA LEU A 28 -9.325 -0.375 7.513 1.00 13.52 H new ATOM 0 HB2 LEU A 28 -8.033 -3.132 7.346 1.00 45.43 H new ATOM 0 HB3 LEU A 28 -9.012 -2.415 6.082 1.00 45.43 H new ATOM 0 HG LEU A 28 -6.378 -1.300 7.105 1.00 14.10 H new ATOM 0 HD11 LEU A 28 -5.474 -2.004 4.918 1.00 64.43 H new ATOM 0 HD12 LEU A 28 -6.062 -3.388 5.869 1.00 64.43 H new ATOM 0 HD13 LEU A 28 -7.037 -2.756 4.521 1.00 64.43 H new ATOM 0 HD21 LEU A 28 -6.519 0.218 5.158 1.00 61.00 H new ATOM 0 HD22 LEU A 28 -8.129 -0.435 4.775 1.00 61.00 H new ATOM 0 HD23 LEU A 28 -7.871 0.464 6.289 1.00 61.00 H new ATOM 442 N SER A 29 -11.496 -1.410 8.105 1.00 33.35 N ATOM 443 CA SER A 29 -12.805 -2.008 8.409 1.00 0.10 C ATOM 444 C SER A 29 -13.222 -2.993 7.306 1.00 74.11 C ATOM 445 O SER A 29 -12.727 -2.920 6.180 1.00 34.13 O ATOM 446 CB SER A 29 -13.871 -0.915 8.581 1.00 52.11 C ATOM 447 OG SER A 29 -15.119 -1.460 8.978 1.00 32.02 O ATOM 0 H SER A 29 -11.544 -0.480 7.689 1.00 33.35 H new ATOM 0 HA SER A 29 -12.718 -2.558 9.346 1.00 0.10 H new ATOM 0 HB2 SER A 29 -13.536 -0.193 9.325 1.00 52.11 H new ATOM 0 HB3 SER A 29 -13.992 -0.373 7.643 1.00 52.11 H new ATOM 0 HG SER A 29 -15.774 -0.738 9.080 1.00 32.02 H new ATOM 453 N ASN A 30 -14.141 -3.900 7.631 1.00 53.45 N ATOM 454 CA ASN A 30 -14.524 -4.994 6.720 1.00 25.55 C ATOM 455 C ASN A 30 -14.969 -4.498 5.330 1.00 42.31 C ATOM 456 O ASN A 30 -14.632 -5.107 4.312 1.00 72.15 O ATOM 457 CB ASN A 30 -15.627 -5.839 7.356 1.00 3.22 C ATOM 458 CG ASN A 30 -15.148 -6.531 8.616 1.00 41.34 C ATOM 459 OD1 ASN A 30 -15.251 -5.996 9.715 1.00 24.51 O ATOM 460 ND2 ASN A 30 -14.603 -7.720 8.468 1.00 31.24 N ATOM 0 H ASN A 30 -14.640 -3.905 8.521 1.00 53.45 H new ATOM 0 HA ASN A 30 -13.632 -5.601 6.563 1.00 25.55 H new ATOM 0 HB2 ASN A 30 -16.481 -5.204 7.592 1.00 3.22 H new ATOM 0 HB3 ASN A 30 -15.972 -6.585 6.640 1.00 3.22 H new ATOM 0 HD21 ASN A 30 -14.251 -8.225 9.282 1.00 31.24 H new ATOM 0 HD22 ASN A 30 -14.533 -8.137 7.540 1.00 31.24 H new ATOM 467 N ALA A 31 -15.728 -3.405 5.291 1.00 72.01 N ATOM 468 CA ALA A 31 -16.151 -2.801 4.020 1.00 1.31 C ATOM 469 C ALA A 31 -14.938 -2.394 3.165 1.00 52.13 C ATOM 470 O ALA A 31 -14.891 -2.657 1.960 1.00 62.34 O ATOM 471 CB ALA A 31 -17.051 -1.597 4.283 1.00 75.42 C ATOM 0 H ALA A 31 -16.065 -2.917 6.121 1.00 72.01 H new ATOM 0 HA ALA A 31 -16.716 -3.547 3.461 1.00 1.31 H new ATOM 0 HB1 ALA A 31 -17.358 -1.158 3.334 1.00 75.42 H new ATOM 0 HB2 ALA A 31 -17.933 -1.917 4.837 1.00 75.42 H new ATOM 0 HB3 ALA A 31 -16.505 -0.855 4.866 1.00 75.42 H new ATOM 477 N GLN A 32 -13.948 -1.773 3.806 1.00 11.11 N ATOM 478 CA GLN A 32 -12.717 -1.358 3.127 1.00 52.13 C ATOM 479 C GLN A 32 -11.906 -2.581 2.673 1.00 51.45 C ATOM 480 O GLN A 32 -11.362 -2.597 1.571 1.00 52.15 O ATOM 481 CB GLN A 32 -11.850 -0.453 4.030 1.00 65.23 C ATOM 482 CG GLN A 32 -12.430 0.944 4.291 1.00 71.32 C ATOM 483 CD GLN A 32 -13.494 0.984 5.382 1.00 42.12 C ATOM 484 OE1 GLN A 32 -14.212 0.023 5.617 1.00 71.02 O ATOM 485 NE2 GLN A 32 -13.599 2.103 6.066 1.00 70.23 N ATOM 0 H GLN A 32 -13.974 -1.545 4.800 1.00 11.11 H new ATOM 0 HA GLN A 32 -13.008 -0.782 2.249 1.00 52.13 H new ATOM 0 HB2 GLN A 32 -11.702 -0.954 4.987 1.00 65.23 H new ATOM 0 HB3 GLN A 32 -10.867 -0.343 3.573 1.00 65.23 H new ATOM 0 HG2 GLN A 32 -11.618 1.617 4.566 1.00 71.32 H new ATOM 0 HG3 GLN A 32 -12.860 1.326 3.365 1.00 71.32 H new ATOM 0 HE21 GLN A 32 -12.988 2.891 5.851 1.00 70.23 H new ATOM 0 HE22 GLN A 32 -14.291 2.182 6.811 1.00 70.23 H new ATOM 494 N GLU A 33 -11.837 -3.607 3.525 1.00 52.32 N ATOM 495 CA GLU A 33 -11.164 -4.865 3.172 1.00 50.31 C ATOM 496 C GLU A 33 -11.809 -5.496 1.928 1.00 15.13 C ATOM 497 O GLU A 33 -11.115 -5.958 1.018 1.00 23.23 O ATOM 498 CB GLU A 33 -11.224 -5.865 4.339 1.00 40.23 C ATOM 499 CG GLU A 33 -10.582 -5.366 5.630 1.00 13.34 C ATOM 500 CD GLU A 33 -10.600 -6.419 6.731 1.00 63.24 C ATOM 501 OE1 GLU A 33 -11.656 -6.602 7.375 1.00 72.44 O ATOM 502 OE2 GLU A 33 -9.564 -7.084 6.943 1.00 14.25 O ATOM 0 H GLU A 33 -12.237 -3.594 4.463 1.00 52.32 H new ATOM 0 HA GLU A 33 -10.121 -4.632 2.956 1.00 50.31 H new ATOM 0 HB2 GLU A 33 -12.267 -6.111 4.538 1.00 40.23 H new ATOM 0 HB3 GLU A 33 -10.731 -6.789 4.036 1.00 40.23 H new ATOM 0 HG2 GLU A 33 -9.552 -5.071 5.430 1.00 13.34 H new ATOM 0 HG3 GLU A 33 -11.108 -4.475 5.974 1.00 13.34 H new ATOM 509 N GLU A 34 -13.144 -5.499 1.905 1.00 73.42 N ATOM 510 CA GLU A 34 -13.917 -6.036 0.776 1.00 2.15 C ATOM 511 C GLU A 34 -13.555 -5.332 -0.542 1.00 65.21 C ATOM 512 O GLU A 34 -13.136 -5.970 -1.512 1.00 71.45 O ATOM 513 CB GLU A 34 -15.422 -5.869 1.059 1.00 13.22 C ATOM 514 CG GLU A 34 -16.342 -6.416 -0.031 1.00 41.10 C ATOM 515 CD GLU A 34 -16.285 -7.930 -0.160 1.00 52.13 C ATOM 516 OE1 GLU A 34 -16.858 -8.627 0.704 1.00 32.22 O ATOM 517 OE2 GLU A 34 -15.668 -8.433 -1.123 1.00 13.14 O ATOM 0 H GLU A 34 -13.720 -5.132 2.663 1.00 73.42 H new ATOM 0 HA GLU A 34 -13.672 -7.093 0.669 1.00 2.15 H new ATOM 0 HB2 GLU A 34 -15.658 -6.368 1.999 1.00 13.22 H new ATOM 0 HB3 GLU A 34 -15.636 -4.809 1.198 1.00 13.22 H new ATOM 0 HG2 GLU A 34 -17.367 -6.115 0.183 1.00 41.10 H new ATOM 0 HG3 GLU A 34 -16.070 -5.966 -0.986 1.00 41.10 H new ATOM 524 N VAL A 35 -13.716 -4.012 -0.565 1.00 51.34 N ATOM 525 CA VAL A 35 -13.429 -3.210 -1.761 1.00 63.44 C ATOM 526 C VAL A 35 -11.943 -3.288 -2.158 1.00 21.33 C ATOM 527 O VAL A 35 -11.610 -3.501 -3.328 1.00 74.30 O ATOM 528 CB VAL A 35 -13.815 -1.727 -1.535 1.00 53.43 C ATOM 529 CG1 VAL A 35 -13.541 -0.891 -2.785 1.00 55.14 C ATOM 530 CG2 VAL A 35 -15.281 -1.611 -1.115 1.00 73.45 C ATOM 0 H VAL A 35 -14.045 -3.468 0.233 1.00 51.34 H new ATOM 0 HA VAL A 35 -14.029 -3.626 -2.571 1.00 63.44 H new ATOM 0 HB VAL A 35 -13.195 -1.335 -0.729 1.00 53.43 H new ATOM 0 HG11 VAL A 35 -13.821 0.146 -2.598 1.00 55.14 H new ATOM 0 HG12 VAL A 35 -12.480 -0.941 -3.031 1.00 55.14 H new ATOM 0 HG13 VAL A 35 -14.126 -1.280 -3.618 1.00 55.14 H new ATOM 0 HG21 VAL A 35 -15.533 -0.562 -0.961 1.00 73.45 H new ATOM 0 HG22 VAL A 35 -15.917 -2.026 -1.896 1.00 73.45 H new ATOM 0 HG23 VAL A 35 -15.439 -2.162 -0.188 1.00 73.45 H new ATOM 540 N MET A 36 -11.057 -3.119 -1.180 1.00 32.23 N ATOM 541 CA MET A 36 -9.612 -3.107 -1.433 1.00 21.03 C ATOM 542 C MET A 36 -9.126 -4.446 -2.012 1.00 43.54 C ATOM 543 O MET A 36 -8.467 -4.471 -3.052 1.00 74.05 O ATOM 544 CB MET A 36 -8.851 -2.779 -0.142 1.00 41.45 C ATOM 545 CG MET A 36 -7.346 -2.618 -0.329 1.00 54.42 C ATOM 546 SD MET A 36 -6.510 -2.107 1.185 1.00 25.33 S ATOM 547 CE MET A 36 -7.308 -0.535 1.505 1.00 33.50 C ATOM 0 H MET A 36 -11.312 -2.988 -0.201 1.00 32.23 H new ATOM 0 HA MET A 36 -9.411 -2.334 -2.174 1.00 21.03 H new ATOM 0 HB2 MET A 36 -9.254 -1.859 0.281 1.00 41.45 H new ATOM 0 HB3 MET A 36 -9.033 -3.570 0.585 1.00 41.45 H new ATOM 0 HG2 MET A 36 -6.923 -3.562 -0.672 1.00 54.42 H new ATOM 0 HG3 MET A 36 -7.157 -1.882 -1.110 1.00 54.42 H new ATOM 0 HE1 MET A 36 -6.684 0.061 2.171 1.00 33.50 H new ATOM 0 HE2 MET A 36 -7.449 -0.001 0.566 1.00 33.50 H new ATOM 0 HE3 MET A 36 -8.277 -0.708 1.973 1.00 33.50 H new ATOM 557 N ASN A 37 -9.470 -5.558 -1.353 1.00 2.31 N ATOM 558 CA ASN A 37 -9.070 -6.888 -1.847 1.00 55.04 C ATOM 559 C ASN A 37 -9.728 -7.203 -3.196 1.00 41.32 C ATOM 560 O ASN A 37 -9.119 -7.840 -4.052 1.00 1.13 O ATOM 561 CB ASN A 37 -9.397 -8.002 -0.838 1.00 62.52 C ATOM 562 CG ASN A 37 -8.394 -8.081 0.301 1.00 32.44 C ATOM 563 OD1 ASN A 37 -7.325 -8.666 0.162 1.00 10.30 O ATOM 564 ND2 ASN A 37 -8.735 -7.521 1.442 1.00 63.51 N ATOM 0 H ASN A 37 -10.015 -5.569 -0.491 1.00 2.31 H new ATOM 0 HA ASN A 37 -7.989 -6.856 -1.979 1.00 55.04 H new ATOM 0 HB2 ASN A 37 -10.393 -7.833 -0.428 1.00 62.52 H new ATOM 0 HB3 ASN A 37 -9.425 -8.960 -1.358 1.00 62.52 H new ATOM 0 HD21 ASN A 37 -8.103 -7.567 2.241 1.00 63.51 H new ATOM 0 HD22 ASN A 37 -9.631 -7.041 1.527 1.00 63.51 H new ATOM 571 N GLY A 38 -10.971 -6.754 -3.379 1.00 3.01 N ATOM 572 CA GLY A 38 -11.658 -6.940 -4.655 1.00 3.32 C ATOM 573 C GLY A 38 -10.887 -6.348 -5.830 1.00 4.10 C ATOM 574 O GLY A 38 -10.715 -6.995 -6.869 1.00 52.33 O ATOM 0 H GLY A 38 -11.516 -6.265 -2.669 1.00 3.01 H new ATOM 0 HA2 GLY A 38 -11.814 -8.005 -4.827 1.00 3.32 H new ATOM 0 HA3 GLY A 38 -12.644 -6.478 -4.603 1.00 3.32 H new ATOM 578 N ARG A 39 -10.422 -5.115 -5.662 1.00 2.34 N ATOM 579 CA ARG A 39 -9.601 -4.451 -6.676 1.00 72.21 C ATOM 580 C ARG A 39 -8.231 -5.129 -6.834 1.00 35.43 C ATOM 581 O ARG A 39 -7.823 -5.449 -7.944 1.00 74.43 O ATOM 582 CB ARG A 39 -9.435 -2.966 -6.326 1.00 62.20 C ATOM 583 CG ARG A 39 -10.621 -2.098 -6.758 1.00 4.51 C ATOM 584 CD ARG A 39 -11.077 -1.147 -5.659 1.00 63.21 C ATOM 585 NE ARG A 39 -9.974 -0.380 -5.084 1.00 41.52 N ATOM 586 CZ ARG A 39 -10.134 0.703 -4.377 1.00 53.43 C ATOM 587 NH1 ARG A 39 -11.303 1.252 -4.264 1.00 74.34 N ATOM 588 NH2 ARG A 39 -9.114 1.259 -3.814 1.00 51.51 N ATOM 0 H ARG A 39 -10.599 -4.551 -4.831 1.00 2.34 H new ATOM 0 HA ARG A 39 -10.115 -4.536 -7.634 1.00 72.21 H new ATOM 0 HB2 ARG A 39 -9.297 -2.868 -5.249 1.00 62.20 H new ATOM 0 HB3 ARG A 39 -8.528 -2.589 -6.799 1.00 62.20 H new ATOM 0 HG2 ARG A 39 -10.343 -1.522 -7.641 1.00 4.51 H new ATOM 0 HG3 ARG A 39 -11.452 -2.741 -7.046 1.00 4.51 H new ATOM 0 HD2 ARG A 39 -11.820 -0.460 -6.064 1.00 63.21 H new ATOM 0 HD3 ARG A 39 -11.567 -1.718 -4.870 1.00 63.21 H new ATOM 0 HE ARG A 39 -9.023 -0.712 -5.245 1.00 41.52 H new ATOM 0 HH11 ARG A 39 -12.109 0.836 -4.731 1.00 74.34 H new ATOM 0 HH12 ARG A 39 -11.417 2.100 -3.708 1.00 74.34 H new ATOM 0 HH21 ARG A 39 -8.186 0.851 -3.923 1.00 51.51 H new ATOM 0 HH22 ARG A 39 -9.236 2.107 -3.260 1.00 51.51 H new ATOM 602 N LEU A 40 -7.533 -5.363 -5.721 1.00 12.41 N ATOM 603 CA LEU A 40 -6.214 -6.021 -5.758 1.00 41.21 C ATOM 604 C LEU A 40 -6.289 -7.392 -6.457 1.00 31.42 C ATOM 605 O LEU A 40 -5.410 -7.760 -7.242 1.00 61.53 O ATOM 606 CB LEU A 40 -5.663 -6.182 -4.334 1.00 33.05 C ATOM 607 CG LEU A 40 -5.455 -4.872 -3.558 1.00 72.31 C ATOM 608 CD1 LEU A 40 -4.943 -5.153 -2.149 1.00 22.44 C ATOM 609 CD2 LEU A 40 -4.502 -3.942 -4.304 1.00 45.24 C ATOM 0 H LEU A 40 -7.852 -5.111 -4.786 1.00 12.41 H new ATOM 0 HA LEU A 40 -5.539 -5.388 -6.334 1.00 41.21 H new ATOM 0 HB2 LEU A 40 -6.345 -6.816 -3.768 1.00 33.05 H new ATOM 0 HB3 LEU A 40 -4.710 -6.708 -4.388 1.00 33.05 H new ATOM 0 HG LEU A 40 -6.420 -4.372 -3.476 1.00 72.31 H new ATOM 0 HD11 LEU A 40 -4.803 -4.211 -1.618 1.00 22.44 H new ATOM 0 HD12 LEU A 40 -5.668 -5.767 -1.614 1.00 22.44 H new ATOM 0 HD13 LEU A 40 -3.992 -5.682 -2.206 1.00 22.44 H new ATOM 0 HD21 LEU A 40 -4.371 -3.022 -3.734 1.00 45.24 H new ATOM 0 HD22 LEU A 40 -3.537 -4.433 -4.427 1.00 45.24 H new ATOM 0 HD23 LEU A 40 -4.917 -3.706 -5.284 1.00 45.24 H new ATOM 621 N ARG A 41 -7.351 -8.139 -6.167 1.00 14.03 N ATOM 622 CA ARG A 41 -7.616 -9.419 -6.827 1.00 45.04 C ATOM 623 C ARG A 41 -7.817 -9.212 -8.340 1.00 73.41 C ATOM 624 O ARG A 41 -7.226 -9.926 -9.157 1.00 70.42 O ATOM 625 CB ARG A 41 -8.854 -10.082 -6.194 1.00 43.33 C ATOM 626 CG ARG A 41 -9.236 -11.457 -6.756 1.00 5.53 C ATOM 627 CD ARG A 41 -8.115 -12.489 -6.634 1.00 52.20 C ATOM 628 NE ARG A 41 -7.142 -12.390 -7.724 1.00 20.24 N ATOM 629 CZ ARG A 41 -6.290 -13.325 -8.033 1.00 14.31 C ATOM 630 NH1 ARG A 41 -6.261 -14.433 -7.361 1.00 1.44 N ATOM 631 NH2 ARG A 41 -5.476 -13.159 -9.025 1.00 13.33 N ATOM 0 H ARG A 41 -8.050 -7.878 -5.472 1.00 14.03 H new ATOM 0 HA ARG A 41 -6.758 -10.077 -6.690 1.00 45.04 H new ATOM 0 HB2 ARG A 41 -8.680 -10.184 -5.123 1.00 43.33 H new ATOM 0 HB3 ARG A 41 -9.704 -9.411 -6.317 1.00 43.33 H new ATOM 0 HG2 ARG A 41 -10.118 -11.824 -6.232 1.00 5.53 H new ATOM 0 HG3 ARG A 41 -9.510 -11.350 -7.805 1.00 5.53 H new ATOM 0 HD2 ARG A 41 -7.603 -12.354 -5.681 1.00 52.20 H new ATOM 0 HD3 ARG A 41 -8.546 -13.490 -6.626 1.00 52.20 H new ATOM 0 HE ARG A 41 -7.131 -11.533 -8.277 1.00 20.24 H new ATOM 0 HH11 ARG A 41 -6.908 -14.576 -6.585 1.00 1.44 H new ATOM 0 HH12 ARG A 41 -5.591 -15.162 -7.608 1.00 1.44 H new ATOM 0 HH21 ARG A 41 -5.501 -12.295 -9.566 1.00 13.33 H new ATOM 0 HH22 ARG A 41 -4.809 -13.892 -9.266 1.00 13.33 H new ATOM 645 N ALA A 42 -8.629 -8.214 -8.699 1.00 74.00 N ATOM 646 CA ALA A 42 -8.863 -7.861 -10.106 1.00 14.04 C ATOM 647 C ALA A 42 -7.551 -7.499 -10.820 1.00 63.43 C ATOM 648 O ALA A 42 -7.278 -7.973 -11.923 1.00 31.12 O ATOM 649 CB ALA A 42 -9.851 -6.700 -10.200 1.00 64.42 C ATOM 0 H ALA A 42 -9.138 -7.633 -8.033 1.00 74.00 H new ATOM 0 HA ALA A 42 -9.286 -8.733 -10.604 1.00 14.04 H new ATOM 0 HB1 ALA A 42 -10.017 -6.447 -11.247 1.00 64.42 H new ATOM 0 HB2 ALA A 42 -10.797 -6.989 -9.742 1.00 64.42 H new ATOM 0 HB3 ALA A 42 -9.445 -5.834 -9.677 1.00 64.42 H new ATOM 655 N ILE A 43 -6.733 -6.671 -10.171 1.00 54.24 N ATOM 656 CA ILE A 43 -5.444 -6.251 -10.727 1.00 45.24 C ATOM 657 C ILE A 43 -4.540 -7.458 -11.023 1.00 21.14 C ATOM 658 O ILE A 43 -3.997 -7.586 -12.121 1.00 63.52 O ATOM 659 CB ILE A 43 -4.694 -5.288 -9.769 1.00 43.53 C ATOM 660 CG1 ILE A 43 -5.541 -4.037 -9.482 1.00 22.10 C ATOM 661 CG2 ILE A 43 -3.342 -4.893 -10.359 1.00 53.25 C ATOM 662 CD1 ILE A 43 -4.927 -3.104 -8.456 1.00 21.53 C ATOM 0 H ILE A 43 -6.941 -6.275 -9.254 1.00 54.24 H new ATOM 0 HA ILE A 43 -5.666 -5.729 -11.658 1.00 45.24 H new ATOM 0 HB ILE A 43 -4.522 -5.809 -8.827 1.00 43.53 H new ATOM 0 HG12 ILE A 43 -5.691 -3.490 -10.413 1.00 22.10 H new ATOM 0 HG13 ILE A 43 -6.525 -4.348 -9.133 1.00 22.10 H new ATOM 0 HG21 ILE A 43 -2.830 -4.217 -9.674 1.00 53.25 H new ATOM 0 HG22 ILE A 43 -2.736 -5.786 -10.509 1.00 53.25 H new ATOM 0 HG23 ILE A 43 -3.495 -4.393 -11.315 1.00 53.25 H new ATOM 0 HD11 ILE A 43 -5.582 -2.245 -8.307 1.00 21.53 H new ATOM 0 HD12 ILE A 43 -4.802 -3.633 -7.511 1.00 21.53 H new ATOM 0 HD13 ILE A 43 -3.955 -2.762 -8.811 1.00 21.53 H new ATOM 674 N ARG A 44 -4.392 -8.349 -10.043 1.00 41.30 N ATOM 675 CA ARG A 44 -3.535 -9.530 -10.203 1.00 45.02 C ATOM 676 C ARG A 44 -4.126 -10.536 -11.213 1.00 75.30 C ATOM 677 O ARG A 44 -3.397 -11.321 -11.814 1.00 23.44 O ATOM 678 CB ARG A 44 -3.274 -10.205 -8.844 1.00 62.25 C ATOM 679 CG ARG A 44 -2.138 -11.229 -8.885 1.00 40.02 C ATOM 680 CD ARG A 44 -1.716 -11.694 -7.491 1.00 23.44 C ATOM 681 NE ARG A 44 -2.762 -12.457 -6.807 1.00 54.42 N ATOM 682 CZ ARG A 44 -2.667 -13.732 -6.521 1.00 72.33 C ATOM 683 NH1 ARG A 44 -1.630 -14.416 -6.880 1.00 60.30 N ATOM 684 NH2 ARG A 44 -3.610 -14.325 -5.867 1.00 4.55 N ATOM 0 H ARG A 44 -4.850 -8.279 -9.134 1.00 41.30 H new ATOM 0 HA ARG A 44 -2.582 -9.188 -10.606 1.00 45.02 H new ATOM 0 HB2 ARG A 44 -3.037 -9.439 -8.105 1.00 62.25 H new ATOM 0 HB3 ARG A 44 -4.187 -10.698 -8.510 1.00 62.25 H new ATOM 0 HG2 ARG A 44 -2.452 -12.092 -9.472 1.00 40.02 H new ATOM 0 HG3 ARG A 44 -1.279 -10.793 -9.394 1.00 40.02 H new ATOM 0 HD2 ARG A 44 -0.820 -12.308 -7.574 1.00 23.44 H new ATOM 0 HD3 ARG A 44 -1.452 -10.825 -6.887 1.00 23.44 H new ATOM 0 HE ARG A 44 -3.615 -11.967 -6.537 1.00 54.42 H new ATOM 0 HH11 ARG A 44 -0.873 -13.963 -7.392 1.00 60.30 H new ATOM 0 HH12 ARG A 44 -1.569 -15.408 -6.651 1.00 60.30 H new ATOM 0 HH21 ARG A 44 -4.433 -13.800 -5.571 1.00 4.55 H new ATOM 0 HH22 ARG A 44 -3.531 -15.318 -5.647 1.00 4.55 H new ATOM 698 N SER A 45 -5.448 -10.521 -11.384 1.00 30.30 N ATOM 699 CA SER A 45 -6.113 -11.411 -12.357 1.00 54.51 C ATOM 700 C SER A 45 -6.082 -10.828 -13.784 1.00 32.53 C ATOM 701 O SER A 45 -5.998 -11.562 -14.769 1.00 1.24 O ATOM 702 CB SER A 45 -7.568 -11.670 -11.939 1.00 5.02 C ATOM 703 OG SER A 45 -8.224 -12.540 -12.848 1.00 3.02 O ATOM 0 H SER A 45 -6.082 -9.910 -10.869 1.00 30.30 H new ATOM 0 HA SER A 45 -5.561 -12.351 -12.363 1.00 54.51 H new ATOM 0 HB2 SER A 45 -7.589 -12.104 -10.939 1.00 5.02 H new ATOM 0 HB3 SER A 45 -8.106 -10.724 -11.887 1.00 5.02 H new ATOM 0 HG SER A 45 -9.147 -12.686 -12.553 1.00 3.02 H new ATOM 709 N SER A 46 -6.150 -9.501 -13.887 1.00 73.34 N ATOM 710 CA SER A 46 -6.162 -8.813 -15.193 1.00 2.13 C ATOM 711 C SER A 46 -4.762 -8.315 -15.585 1.00 42.23 C ATOM 712 O SER A 46 -4.153 -8.808 -16.539 1.00 10.23 O ATOM 713 CB SER A 46 -7.135 -7.626 -15.154 1.00 1.20 C ATOM 714 OG SER A 46 -7.233 -6.984 -16.419 1.00 73.44 O ATOM 0 H SER A 46 -6.198 -8.873 -13.084 1.00 73.34 H new ATOM 0 HA SER A 46 -6.488 -9.535 -15.942 1.00 2.13 H new ATOM 0 HB2 SER A 46 -8.121 -7.974 -14.845 1.00 1.20 H new ATOM 0 HB3 SER A 46 -6.802 -6.907 -14.406 1.00 1.20 H new ATOM 0 HG SER A 46 -7.862 -6.235 -16.358 1.00 73.44 H new ATOM 720 N HIS A 47 -4.252 -7.338 -14.835 1.00 63.43 N ATOM 721 CA HIS A 47 -2.929 -6.756 -15.099 1.00 11.10 C ATOM 722 C HIS A 47 -1.800 -7.712 -14.673 1.00 34.30 C ATOM 723 O HIS A 47 -0.645 -7.537 -15.068 1.00 12.24 O ATOM 724 CB HIS A 47 -2.780 -5.423 -14.349 1.00 72.50 C ATOM 725 CG HIS A 47 -3.876 -4.437 -14.635 1.00 43.12 C ATOM 726 ND1 HIS A 47 -3.864 -3.661 -15.766 1.00 74.30 N ATOM 727 CD2 HIS A 47 -4.980 -4.135 -13.906 1.00 1.44 C ATOM 728 CE1 HIS A 47 -4.950 -2.911 -15.704 1.00 41.03 C ATOM 729 NE2 HIS A 47 -5.657 -3.162 -14.595 1.00 54.50 N ATOM 0 H HIS A 47 -4.735 -6.929 -14.035 1.00 63.43 H new ATOM 0 HA HIS A 47 -2.849 -6.586 -16.173 1.00 11.10 H new ATOM 0 HB2 HIS A 47 -2.754 -5.621 -13.278 1.00 72.50 H new ATOM 0 HB3 HIS A 47 -1.823 -4.974 -14.613 1.00 72.50 H new ATOM 0 HD2 HIS A 47 -5.270 -4.576 -12.964 1.00 1.44 H new ATOM 0 HE1 HIS A 47 -5.232 -2.187 -16.454 1.00 41.03 H new ATOM 0 HE2 HIS A 47 -6.531 -2.715 -14.316 1.00 54.50 H new ATOM 737 N ALA A 48 -2.154 -8.709 -13.851 1.00 63.23 N ATOM 738 CA ALA A 48 -1.199 -9.703 -13.330 1.00 23.53 C ATOM 739 C ALA A 48 -0.239 -9.095 -12.295 1.00 43.01 C ATOM 740 O ALA A 48 0.729 -9.734 -11.878 1.00 12.22 O ATOM 741 CB ALA A 48 -0.421 -10.364 -14.464 1.00 54.04 C ATOM 0 H ALA A 48 -3.111 -8.851 -13.527 1.00 63.23 H new ATOM 0 HA ALA A 48 -1.784 -10.469 -12.821 1.00 23.53 H new ATOM 0 HB1 ALA A 48 0.276 -11.093 -14.050 1.00 54.04 H new ATOM 0 HB2 ALA A 48 -1.115 -10.867 -15.137 1.00 54.04 H new ATOM 0 HB3 ALA A 48 0.133 -9.605 -15.016 1.00 54.04 H new ATOM 747 N VAL A 49 -0.525 -7.864 -11.874 1.00 31.41 N ATOM 748 CA VAL A 49 0.318 -7.158 -10.903 1.00 44.35 C ATOM 749 C VAL A 49 0.013 -7.589 -9.461 1.00 64.10 C ATOM 750 O VAL A 49 -1.124 -7.489 -8.996 1.00 2.32 O ATOM 751 CB VAL A 49 0.144 -5.621 -11.019 1.00 73.31 C ATOM 752 CG1 VAL A 49 0.981 -4.895 -9.965 1.00 23.40 C ATOM 753 CG2 VAL A 49 0.502 -5.138 -12.426 1.00 62.52 C ATOM 0 H VAL A 49 -1.336 -7.331 -12.190 1.00 31.41 H new ATOM 0 HA VAL A 49 1.348 -7.424 -11.138 1.00 44.35 H new ATOM 0 HB VAL A 49 -0.905 -5.386 -10.836 1.00 73.31 H new ATOM 0 HG11 VAL A 49 0.841 -3.819 -10.068 1.00 23.40 H new ATOM 0 HG12 VAL A 49 0.665 -5.209 -8.970 1.00 23.40 H new ATOM 0 HG13 VAL A 49 2.034 -5.139 -10.105 1.00 23.40 H new ATOM 0 HG21 VAL A 49 0.372 -4.057 -12.484 1.00 62.52 H new ATOM 0 HG22 VAL A 49 1.539 -5.391 -12.645 1.00 62.52 H new ATOM 0 HG23 VAL A 49 -0.150 -5.621 -13.153 1.00 62.52 H new ATOM 763 N GLU A 50 1.038 -8.077 -8.765 1.00 44.44 N ATOM 764 CA GLU A 50 0.909 -8.439 -7.355 1.00 20.32 C ATOM 765 C GLU A 50 1.039 -7.185 -6.469 1.00 61.21 C ATOM 766 O GLU A 50 2.142 -6.734 -6.161 1.00 41.51 O ATOM 767 CB GLU A 50 1.973 -9.490 -6.985 1.00 41.42 C ATOM 768 CG GLU A 50 1.980 -10.703 -7.918 1.00 64.01 C ATOM 769 CD GLU A 50 2.984 -11.773 -7.505 1.00 73.22 C ATOM 770 OE1 GLU A 50 4.152 -11.716 -7.949 1.00 15.14 O ATOM 771 OE2 GLU A 50 2.598 -12.690 -6.745 1.00 14.13 O ATOM 0 H GLU A 50 1.968 -8.231 -9.155 1.00 44.44 H new ATOM 0 HA GLU A 50 -0.077 -8.872 -7.184 1.00 20.32 H new ATOM 0 HB2 GLU A 50 2.957 -9.022 -7.003 1.00 41.42 H new ATOM 0 HB3 GLU A 50 1.799 -9.828 -5.963 1.00 41.42 H new ATOM 0 HG2 GLU A 50 0.982 -11.140 -7.942 1.00 64.01 H new ATOM 0 HG3 GLU A 50 2.208 -10.372 -8.931 1.00 64.01 H new ATOM 778 N PHE A 51 -0.104 -6.623 -6.086 1.00 43.12 N ATOM 779 CA PHE A 51 -0.157 -5.362 -5.328 1.00 4.54 C ATOM 780 C PHE A 51 -0.667 -5.604 -3.897 1.00 60.34 C ATOM 781 O PHE A 51 -1.856 -5.826 -3.681 1.00 44.44 O ATOM 782 CB PHE A 51 -1.062 -4.368 -6.080 1.00 33.34 C ATOM 783 CG PHE A 51 -1.142 -2.974 -5.494 1.00 62.34 C ATOM 784 CD1 PHE A 51 -0.250 -2.536 -4.519 1.00 43.03 C ATOM 785 CD2 PHE A 51 -2.121 -2.095 -5.937 1.00 12.21 C ATOM 786 CE1 PHE A 51 -0.342 -1.257 -4.003 1.00 73.40 C ATOM 787 CE2 PHE A 51 -2.213 -0.818 -5.424 1.00 61.24 C ATOM 788 CZ PHE A 51 -1.324 -0.398 -4.457 1.00 30.21 C ATOM 0 H PHE A 51 -1.021 -7.022 -6.288 1.00 43.12 H new ATOM 0 HA PHE A 51 0.846 -4.943 -5.245 1.00 4.54 H new ATOM 0 HB2 PHE A 51 -0.708 -4.290 -7.108 1.00 33.34 H new ATOM 0 HB3 PHE A 51 -2.069 -4.783 -6.121 1.00 33.34 H new ATOM 0 HD1 PHE A 51 0.522 -3.202 -4.162 1.00 43.03 H new ATOM 0 HD2 PHE A 51 -2.821 -2.416 -6.694 1.00 12.21 H new ATOM 0 HE1 PHE A 51 0.354 -0.929 -3.245 1.00 73.40 H new ATOM 0 HE2 PHE A 51 -2.981 -0.147 -5.780 1.00 61.24 H new ATOM 0 HZ PHE A 51 -1.395 0.602 -4.055 1.00 30.21 H new ATOM 798 N ALA A 52 0.246 -5.562 -2.930 1.00 24.04 N ATOM 799 CA ALA A 52 -0.086 -5.871 -1.531 1.00 73.13 C ATOM 800 C ALA A 52 -0.213 -4.608 -0.661 1.00 35.20 C ATOM 801 O ALA A 52 0.506 -3.628 -0.858 1.00 31.44 O ATOM 802 CB ALA A 52 0.968 -6.805 -0.944 1.00 12.34 C ATOM 0 H ALA A 52 1.224 -5.317 -3.084 1.00 24.04 H new ATOM 0 HA ALA A 52 -1.060 -6.360 -1.530 1.00 73.13 H new ATOM 0 HB1 ALA A 52 0.717 -7.031 0.092 1.00 12.34 H new ATOM 0 HB2 ALA A 52 0.996 -7.730 -1.520 1.00 12.34 H new ATOM 0 HB3 ALA A 52 1.945 -6.323 -0.984 1.00 12.34 H new ATOM 808 N VAL A 53 -1.131 -4.648 0.307 1.00 63.22 N ATOM 809 CA VAL A 53 -1.330 -3.544 1.256 1.00 62.35 C ATOM 810 C VAL A 53 -1.255 -4.049 2.711 1.00 40.31 C ATOM 811 O VAL A 53 -2.162 -4.728 3.195 1.00 33.11 O ATOM 812 CB VAL A 53 -2.697 -2.841 1.030 1.00 21.11 C ATOM 813 CG1 VAL A 53 -2.878 -1.670 1.998 1.00 32.24 C ATOM 814 CG2 VAL A 53 -2.833 -2.375 -0.420 1.00 72.01 C ATOM 0 H VAL A 53 -1.755 -5.440 0.457 1.00 63.22 H new ATOM 0 HA VAL A 53 -0.530 -2.824 1.081 1.00 62.35 H new ATOM 0 HB VAL A 53 -3.486 -3.566 1.230 1.00 21.11 H new ATOM 0 HG11 VAL A 53 -3.843 -1.195 1.819 1.00 32.24 H new ATOM 0 HG12 VAL A 53 -2.839 -2.037 3.024 1.00 32.24 H new ATOM 0 HG13 VAL A 53 -2.081 -0.943 1.842 1.00 32.24 H new ATOM 0 HG21 VAL A 53 -3.797 -1.886 -0.556 1.00 72.01 H new ATOM 0 HG22 VAL A 53 -2.033 -1.672 -0.653 1.00 72.01 H new ATOM 0 HG23 VAL A 53 -2.765 -3.235 -1.086 1.00 72.01 H new ATOM 824 N VAL A 54 -0.169 -3.713 3.401 1.00 74.01 N ATOM 825 CA VAL A 54 0.050 -4.152 4.787 1.00 42.24 C ATOM 826 C VAL A 54 -0.097 -2.986 5.778 1.00 24.00 C ATOM 827 O VAL A 54 0.425 -1.896 5.551 1.00 73.00 O ATOM 828 CB VAL A 54 1.459 -4.780 4.951 1.00 23.10 C ATOM 829 CG1 VAL A 54 1.677 -5.286 6.379 1.00 53.21 C ATOM 830 CG2 VAL A 54 1.672 -5.901 3.935 1.00 52.42 C ATOM 0 H VAL A 54 0.582 -3.134 3.025 1.00 74.01 H new ATOM 0 HA VAL A 54 -0.711 -4.900 5.008 1.00 42.24 H new ATOM 0 HB VAL A 54 2.198 -4.002 4.760 1.00 23.10 H new ATOM 0 HG11 VAL A 54 2.673 -5.721 6.463 1.00 53.21 H new ATOM 0 HG12 VAL A 54 1.584 -4.455 7.078 1.00 53.21 H new ATOM 0 HG13 VAL A 54 0.930 -6.044 6.615 1.00 53.21 H new ATOM 0 HG21 VAL A 54 2.666 -6.328 4.067 1.00 52.42 H new ATOM 0 HG22 VAL A 54 0.921 -6.677 4.086 1.00 52.42 H new ATOM 0 HG23 VAL A 54 1.581 -5.499 2.926 1.00 52.42 H new ATOM 840 N THR A 55 -0.809 -3.219 6.879 1.00 13.14 N ATOM 841 CA THR A 55 -0.968 -2.200 7.931 1.00 72.33 C ATOM 842 C THR A 55 -0.273 -2.632 9.228 1.00 24.24 C ATOM 843 O THR A 55 -0.585 -3.683 9.790 1.00 11.24 O ATOM 844 CB THR A 55 -2.459 -1.913 8.240 1.00 53.15 C ATOM 845 OG1 THR A 55 -3.108 -3.094 8.738 1.00 23.42 O ATOM 846 CG2 THR A 55 -3.191 -1.420 6.999 1.00 50.51 C ATOM 0 H THR A 55 -1.286 -4.100 7.071 1.00 13.14 H new ATOM 0 HA THR A 55 -0.505 -1.290 7.549 1.00 72.33 H new ATOM 0 HB THR A 55 -2.493 -1.134 9.001 1.00 53.15 H new ATOM 0 HG1 THR A 55 -2.440 -3.691 9.135 1.00 23.42 H new ATOM 0 HG21 THR A 55 -4.235 -1.227 7.245 1.00 50.51 H new ATOM 0 HG22 THR A 55 -2.726 -0.501 6.643 1.00 50.51 H new ATOM 0 HG23 THR A 55 -3.137 -2.179 6.219 1.00 50.51 H new ATOM 854 N LEU A 56 0.658 -1.809 9.710 1.00 14.43 N ATOM 855 CA LEU A 56 1.420 -2.115 10.930 1.00 24.22 C ATOM 856 C LEU A 56 1.415 -0.928 11.913 1.00 13.34 C ATOM 857 O LEU A 56 1.578 0.227 11.511 1.00 31.31 O ATOM 858 CB LEU A 56 2.867 -2.484 10.570 1.00 74.14 C ATOM 859 CG LEU A 56 3.033 -3.709 9.654 1.00 63.35 C ATOM 860 CD1 LEU A 56 4.496 -3.909 9.278 1.00 0.42 C ATOM 861 CD2 LEU A 56 2.479 -4.965 10.322 1.00 5.23 C ATOM 0 H LEU A 56 0.907 -0.920 9.275 1.00 14.43 H new ATOM 0 HA LEU A 56 0.938 -2.961 11.419 1.00 24.22 H new ATOM 0 HB2 LEU A 56 3.332 -1.625 10.086 1.00 74.14 H new ATOM 0 HB3 LEU A 56 3.417 -2.666 11.493 1.00 74.14 H new ATOM 0 HG LEU A 56 2.465 -3.526 8.742 1.00 63.35 H new ATOM 0 HD11 LEU A 56 4.589 -4.781 8.630 1.00 0.42 H new ATOM 0 HD12 LEU A 56 4.861 -3.026 8.753 1.00 0.42 H new ATOM 0 HD13 LEU A 56 5.086 -4.064 10.181 1.00 0.42 H new ATOM 0 HD21 LEU A 56 2.607 -5.818 9.656 1.00 5.23 H new ATOM 0 HD22 LEU A 56 3.015 -5.148 11.253 1.00 5.23 H new ATOM 0 HD23 LEU A 56 1.419 -4.827 10.534 1.00 5.23 H new ATOM 873 N PRO A 57 1.225 -1.199 13.220 1.00 22.41 N ATOM 874 CA PRO A 57 1.188 -0.147 14.252 1.00 53.20 C ATOM 875 C PRO A 57 2.544 0.555 14.454 1.00 41.33 C ATOM 876 O PRO A 57 2.634 1.778 14.377 1.00 21.03 O ATOM 877 CB PRO A 57 0.770 -0.904 15.523 1.00 62.20 C ATOM 878 CG PRO A 57 1.169 -2.320 15.276 1.00 20.22 C ATOM 879 CD PRO A 57 1.019 -2.544 13.795 1.00 33.11 C ATOM 0 HA PRO A 57 0.508 0.658 13.975 1.00 53.20 H new ATOM 0 HB2 PRO A 57 1.269 -0.501 16.405 1.00 62.20 H new ATOM 0 HB3 PRO A 57 -0.303 -0.821 15.698 1.00 62.20 H new ATOM 0 HG2 PRO A 57 2.196 -2.497 15.595 1.00 20.22 H new ATOM 0 HG3 PRO A 57 0.538 -3.007 15.840 1.00 20.22 H new ATOM 0 HD2 PRO A 57 1.753 -3.257 13.421 1.00 33.11 H new ATOM 0 HD3 PRO A 57 0.034 -2.940 13.547 1.00 33.11 H new ATOM 887 N SER A 58 3.599 -0.220 14.709 1.00 43.45 N ATOM 888 CA SER A 58 4.924 0.353 14.990 1.00 73.21 C ATOM 889 C SER A 58 6.046 -0.479 14.357 1.00 43.24 C ATOM 890 O SER A 58 6.030 -1.706 14.418 1.00 3.33 O ATOM 891 CB SER A 58 5.156 0.444 16.509 1.00 63.31 C ATOM 892 OG SER A 58 4.109 1.158 17.152 1.00 1.12 O ATOM 0 H SER A 58 3.567 -1.239 14.728 1.00 43.45 H new ATOM 0 HA SER A 58 4.945 1.351 14.552 1.00 73.21 H new ATOM 0 HB2 SER A 58 5.225 -0.560 16.929 1.00 63.31 H new ATOM 0 HB3 SER A 58 6.108 0.937 16.704 1.00 63.31 H new ATOM 0 HG SER A 58 4.284 1.198 18.115 1.00 1.12 H new ATOM 898 N ILE A 59 7.015 0.197 13.740 1.00 42.21 N ATOM 899 CA ILE A 59 8.211 -0.472 13.206 1.00 52.12 C ATOM 900 C ILE A 59 9.443 -0.173 14.079 1.00 24.43 C ATOM 901 O ILE A 59 10.373 -0.980 14.161 1.00 61.31 O ATOM 902 CB ILE A 59 8.497 -0.062 11.736 1.00 43.22 C ATOM 903 CG1 ILE A 59 8.719 1.455 11.616 1.00 75.03 C ATOM 904 CG2 ILE A 59 7.353 -0.512 10.827 1.00 72.15 C ATOM 905 CD1 ILE A 59 9.035 1.920 10.206 1.00 41.35 C ATOM 0 H ILE A 59 6.999 1.207 13.595 1.00 42.21 H new ATOM 0 HA ILE A 59 8.010 -1.543 13.225 1.00 52.12 H new ATOM 0 HB ILE A 59 9.413 -0.560 11.417 1.00 43.22 H new ATOM 0 HG12 ILE A 59 7.826 1.972 11.967 1.00 75.03 H new ATOM 0 HG13 ILE A 59 9.536 1.746 12.276 1.00 75.03 H new ATOM 0 HG21 ILE A 59 7.567 -0.218 9.800 1.00 72.15 H new ATOM 0 HG22 ILE A 59 7.251 -1.596 10.880 1.00 72.15 H new ATOM 0 HG23 ILE A 59 6.424 -0.044 11.152 1.00 72.15 H new ATOM 0 HD11 ILE A 59 9.178 3.001 10.203 1.00 41.35 H new ATOM 0 HD12 ILE A 59 9.945 1.432 9.857 1.00 41.35 H new ATOM 0 HD13 ILE A 59 8.209 1.662 9.544 1.00 41.35 H new ATOM 917 N GLY A 60 9.437 0.997 14.724 1.00 31.04 N ATOM 918 CA GLY A 60 10.484 1.349 15.678 1.00 12.40 C ATOM 919 C GLY A 60 11.851 1.601 15.044 1.00 10.02 C ATOM 920 O GLY A 60 12.019 2.530 14.253 1.00 10.42 O ATOM 0 H GLY A 60 8.720 1.712 14.601 1.00 31.04 H new ATOM 0 HA2 GLY A 60 10.178 2.243 16.222 1.00 12.40 H new ATOM 0 HA3 GLY A 60 10.578 0.547 16.410 1.00 12.40 H new ATOM 924 N ASP A 61 12.823 0.763 15.399 1.00 72.35 N ATOM 925 CA ASP A 61 14.207 0.909 14.932 1.00 31.43 C ATOM 926 C ASP A 61 14.338 0.695 13.412 1.00 22.44 C ATOM 927 O ASP A 61 15.288 1.175 12.788 1.00 72.04 O ATOM 928 CB ASP A 61 15.101 -0.092 15.671 1.00 63.31 C ATOM 929 CG ASP A 61 15.032 0.073 17.180 1.00 3.42 C ATOM 930 OD1 ASP A 61 14.063 -0.422 17.795 1.00 40.23 O ATOM 931 OD2 ASP A 61 15.943 0.706 17.760 1.00 51.14 O ATOM 0 H ASP A 61 12.678 -0.036 16.017 1.00 72.35 H new ATOM 0 HA ASP A 61 14.521 1.931 15.145 1.00 31.43 H new ATOM 0 HB2 ASP A 61 14.803 -1.106 15.405 1.00 63.31 H new ATOM 0 HB3 ASP A 61 16.132 0.034 15.341 1.00 63.31 H new ATOM 936 N ALA A 62 13.387 -0.027 12.827 1.00 63.44 N ATOM 937 CA ALA A 62 13.432 -0.360 11.399 1.00 41.31 C ATOM 938 C ALA A 62 13.090 0.846 10.504 1.00 51.13 C ATOM 939 O ALA A 62 12.069 1.507 10.704 1.00 65.11 O ATOM 940 CB ALA A 62 12.481 -1.514 11.108 1.00 62.11 C ATOM 0 H ALA A 62 12.572 -0.395 13.318 1.00 63.44 H new ATOM 0 HA ALA A 62 14.455 -0.654 11.164 1.00 41.31 H new ATOM 0 HB1 ALA A 62 12.518 -1.757 10.046 1.00 62.11 H new ATOM 0 HB2 ALA A 62 12.778 -2.386 11.691 1.00 62.11 H new ATOM 0 HB3 ALA A 62 11.465 -1.226 11.379 1.00 62.11 H new ATOM 946 N PRO A 63 13.947 1.161 9.510 1.00 3.32 N ATOM 947 CA PRO A 63 13.662 2.218 8.520 1.00 13.03 C ATOM 948 C PRO A 63 12.590 1.786 7.501 1.00 32.30 C ATOM 949 O PRO A 63 12.629 0.670 6.983 1.00 51.33 O ATOM 950 CB PRO A 63 15.020 2.426 7.832 1.00 15.13 C ATOM 951 CG PRO A 63 15.713 1.111 7.964 1.00 54.43 C ATOM 952 CD PRO A 63 15.265 0.532 9.283 1.00 14.44 C ATOM 0 HA PRO A 63 13.262 3.122 8.980 1.00 13.03 H new ATOM 0 HB2 PRO A 63 14.896 2.706 6.786 1.00 15.13 H new ATOM 0 HB3 PRO A 63 15.589 3.224 8.310 1.00 15.13 H new ATOM 0 HG2 PRO A 63 15.452 0.448 7.139 1.00 54.43 H new ATOM 0 HG3 PRO A 63 16.795 1.237 7.941 1.00 54.43 H new ATOM 0 HD2 PRO A 63 15.188 -0.554 9.238 1.00 14.44 H new ATOM 0 HD3 PRO A 63 15.966 0.769 10.084 1.00 14.44 H new ATOM 960 N LEU A 64 11.647 2.683 7.207 1.00 32.11 N ATOM 961 CA LEU A 64 10.501 2.369 6.336 1.00 73.13 C ATOM 962 C LEU A 64 10.922 1.766 4.982 1.00 41.25 C ATOM 963 O LEU A 64 10.370 0.748 4.547 1.00 72.21 O ATOM 964 CB LEU A 64 9.655 3.633 6.108 1.00 4.54 C ATOM 965 CG LEU A 64 8.459 3.470 5.151 1.00 64.14 C ATOM 966 CD1 LEU A 64 7.528 2.357 5.629 1.00 35.54 C ATOM 967 CD2 LEU A 64 7.703 4.793 5.008 1.00 23.34 C ATOM 0 H LEU A 64 11.651 3.640 7.560 1.00 32.11 H new ATOM 0 HA LEU A 64 9.910 1.610 6.850 1.00 73.13 H new ATOM 0 HB2 LEU A 64 9.281 3.977 7.072 1.00 4.54 H new ATOM 0 HB3 LEU A 64 10.304 4.418 5.719 1.00 4.54 H new ATOM 0 HG LEU A 64 8.841 3.188 4.170 1.00 64.14 H new ATOM 0 HD11 LEU A 64 6.691 2.261 4.937 1.00 35.54 H new ATOM 0 HD12 LEU A 64 8.076 1.416 5.668 1.00 35.54 H new ATOM 0 HD13 LEU A 64 7.151 2.599 6.623 1.00 35.54 H new ATOM 0 HD21 LEU A 64 6.861 4.659 4.328 1.00 23.34 H new ATOM 0 HD22 LEU A 64 7.335 5.109 5.984 1.00 23.34 H new ATOM 0 HD23 LEU A 64 8.374 5.554 4.610 1.00 23.34 H new ATOM 979 N GLU A 65 11.897 2.384 4.315 1.00 44.23 N ATOM 980 CA GLU A 65 12.323 1.926 2.985 1.00 11.15 C ATOM 981 C GLU A 65 12.889 0.495 3.032 1.00 41.43 C ATOM 982 O GLU A 65 12.385 -0.406 2.359 1.00 62.13 O ATOM 983 CB GLU A 65 13.366 2.877 2.385 1.00 44.21 C ATOM 984 CG GLU A 65 13.702 2.556 0.932 1.00 71.11 C ATOM 985 CD GLU A 65 14.779 3.457 0.353 1.00 42.12 C ATOM 986 OE1 GLU A 65 14.464 4.603 -0.027 1.00 44.22 O ATOM 987 OE2 GLU A 65 15.942 3.016 0.263 1.00 0.41 O ATOM 0 H GLU A 65 12.405 3.196 4.666 1.00 44.23 H new ATOM 0 HA GLU A 65 11.438 1.923 2.349 1.00 11.15 H new ATOM 0 HB2 GLU A 65 12.995 3.900 2.449 1.00 44.21 H new ATOM 0 HB3 GLU A 65 14.277 2.830 2.981 1.00 44.21 H new ATOM 0 HG2 GLU A 65 14.029 1.519 0.862 1.00 71.11 H new ATOM 0 HG3 GLU A 65 12.799 2.646 0.329 1.00 71.11 H new ATOM 994 N ASP A 66 13.930 0.288 3.835 1.00 33.10 N ATOM 995 CA ASP A 66 14.535 -1.041 3.992 1.00 1.02 C ATOM 996 C ASP A 66 13.517 -2.065 4.524 1.00 22.44 C ATOM 997 O ASP A 66 13.609 -3.260 4.226 1.00 31.41 O ATOM 998 CB ASP A 66 15.746 -0.964 4.927 1.00 53.11 C ATOM 999 CG ASP A 66 16.859 -0.105 4.354 1.00 61.32 C ATOM 1000 OD1 ASP A 66 16.644 1.112 4.172 1.00 31.22 O ATOM 1001 OD2 ASP A 66 17.950 -0.644 4.066 1.00 12.40 O ATOM 0 H ASP A 66 14.375 1.020 4.389 1.00 33.10 H new ATOM 0 HA ASP A 66 14.863 -1.377 3.008 1.00 1.02 H new ATOM 0 HB2 ASP A 66 15.435 -0.558 5.889 1.00 53.11 H new ATOM 0 HB3 ASP A 66 16.124 -1.969 5.113 1.00 53.11 H new ATOM 1006 N PHE A 67 12.550 -1.585 5.308 1.00 73.33 N ATOM 1007 CA PHE A 67 11.476 -2.434 5.832 1.00 34.31 C ATOM 1008 C PHE A 67 10.646 -3.036 4.683 1.00 3.44 C ATOM 1009 O PHE A 67 10.489 -4.258 4.587 1.00 25.42 O ATOM 1010 CB PHE A 67 10.569 -1.615 6.767 1.00 51.21 C ATOM 1011 CG PHE A 67 9.604 -2.446 7.575 1.00 61.20 C ATOM 1012 CD1 PHE A 67 8.433 -2.938 7.010 1.00 70.42 C ATOM 1013 CD2 PHE A 67 9.868 -2.733 8.906 1.00 52.53 C ATOM 1014 CE1 PHE A 67 7.558 -3.700 7.754 1.00 14.22 C ATOM 1015 CE2 PHE A 67 8.993 -3.494 9.653 1.00 53.40 C ATOM 1016 CZ PHE A 67 7.837 -3.976 9.078 1.00 54.13 C ATOM 0 H PHE A 67 12.488 -0.608 5.596 1.00 73.33 H new ATOM 0 HA PHE A 67 11.925 -3.252 6.395 1.00 34.31 H new ATOM 0 HB2 PHE A 67 11.194 -1.039 7.449 1.00 51.21 H new ATOM 0 HB3 PHE A 67 10.004 -0.899 6.171 1.00 51.21 H new ATOM 0 HD1 PHE A 67 8.206 -2.721 5.977 1.00 70.42 H new ATOM 0 HD2 PHE A 67 10.771 -2.356 9.364 1.00 52.53 H new ATOM 0 HE1 PHE A 67 6.654 -4.081 7.302 1.00 14.22 H new ATOM 0 HE2 PHE A 67 9.214 -3.712 10.688 1.00 53.40 H new ATOM 0 HZ PHE A 67 7.150 -4.569 9.663 1.00 54.13 H new ATOM 1026 N THR A 68 10.118 -2.166 3.814 1.00 50.33 N ATOM 1027 CA THR A 68 9.340 -2.614 2.644 1.00 2.01 C ATOM 1028 C THR A 68 10.159 -3.559 1.759 1.00 14.31 C ATOM 1029 O THR A 68 9.641 -4.555 1.255 1.00 50.43 O ATOM 1030 CB THR A 68 8.834 -1.429 1.775 1.00 44.44 C ATOM 1031 OG1 THR A 68 9.931 -0.617 1.325 1.00 30.21 O ATOM 1032 CG2 THR A 68 7.848 -0.561 2.544 1.00 32.01 C ATOM 0 H THR A 68 10.212 -1.154 3.894 1.00 50.33 H new ATOM 0 HA THR A 68 8.475 -3.141 3.047 1.00 2.01 H new ATOM 0 HB THR A 68 8.327 -1.858 0.911 1.00 44.44 H new ATOM 0 HG1 THR A 68 10.658 -0.656 1.981 1.00 30.21 H new ATOM 0 HG21 THR A 68 7.513 0.259 1.909 1.00 32.01 H new ATOM 0 HG22 THR A 68 6.990 -1.163 2.843 1.00 32.01 H new ATOM 0 HG23 THR A 68 8.335 -0.157 3.432 1.00 32.01 H new ATOM 1040 N LEU A 69 11.443 -3.248 1.590 1.00 32.34 N ATOM 1041 CA LEU A 69 12.352 -4.090 0.804 1.00 24.30 C ATOM 1042 C LEU A 69 12.412 -5.526 1.359 1.00 62.34 C ATOM 1043 O LEU A 69 12.183 -6.491 0.629 1.00 60.13 O ATOM 1044 CB LEU A 69 13.756 -3.471 0.784 1.00 20.51 C ATOM 1045 CG LEU A 69 14.798 -4.222 -0.071 1.00 64.45 C ATOM 1046 CD1 LEU A 69 14.374 -4.278 -1.539 1.00 65.53 C ATOM 1047 CD2 LEU A 69 16.174 -3.577 0.067 1.00 2.10 C ATOM 0 H LEU A 69 11.881 -2.417 1.987 1.00 32.34 H new ATOM 0 HA LEU A 69 11.966 -4.142 -0.214 1.00 24.30 H new ATOM 0 HB2 LEU A 69 13.678 -2.448 0.416 1.00 20.51 H new ATOM 0 HB3 LEU A 69 14.124 -3.414 1.808 1.00 20.51 H new ATOM 0 HG LEU A 69 14.858 -5.246 0.299 1.00 64.45 H new ATOM 0 HD11 LEU A 69 15.128 -4.813 -2.115 1.00 65.53 H new ATOM 0 HD12 LEU A 69 13.419 -4.796 -1.622 1.00 65.53 H new ATOM 0 HD13 LEU A 69 14.272 -3.265 -1.927 1.00 65.53 H new ATOM 0 HD21 LEU A 69 16.894 -4.122 -0.544 1.00 2.10 H new ATOM 0 HD22 LEU A 69 16.125 -2.541 -0.267 1.00 2.10 H new ATOM 0 HD23 LEU A 69 16.487 -3.607 1.111 1.00 2.10 H new ATOM 1059 N LYS A 70 12.711 -5.659 2.654 1.00 31.31 N ATOM 1060 CA LYS A 70 12.753 -6.972 3.316 1.00 41.23 C ATOM 1061 C LYS A 70 11.462 -7.773 3.072 1.00 21.13 C ATOM 1062 O LYS A 70 11.504 -8.921 2.624 1.00 12.05 O ATOM 1063 CB LYS A 70 12.962 -6.794 4.828 1.00 3.10 C ATOM 1064 CG LYS A 70 14.353 -6.307 5.227 1.00 54.52 C ATOM 1065 CD LYS A 70 15.412 -7.394 5.056 1.00 71.35 C ATOM 1066 CE LYS A 70 15.158 -8.592 5.972 1.00 32.55 C ATOM 1067 NZ LYS A 70 16.251 -9.600 5.888 1.00 62.43 N ATOM 0 H LYS A 70 12.928 -4.874 3.268 1.00 31.31 H new ATOM 0 HA LYS A 70 13.587 -7.528 2.888 1.00 41.23 H new ATOM 0 HB2 LYS A 70 12.223 -6.086 5.202 1.00 3.10 H new ATOM 0 HB3 LYS A 70 12.770 -7.746 5.322 1.00 3.10 H new ATOM 0 HG2 LYS A 70 14.621 -5.441 4.621 1.00 54.52 H new ATOM 0 HG3 LYS A 70 14.337 -5.977 6.266 1.00 54.52 H new ATOM 0 HD2 LYS A 70 15.425 -7.728 4.018 1.00 71.35 H new ATOM 0 HD3 LYS A 70 16.397 -6.977 5.269 1.00 71.35 H new ATOM 0 HE2 LYS A 70 15.061 -8.247 7.001 1.00 32.55 H new ATOM 0 HE3 LYS A 70 14.211 -9.060 5.702 1.00 32.55 H new ATOM 0 HZ1 LYS A 70 16.040 -10.395 6.524 1.00 62.43 H new ATOM 0 HZ2 LYS A 70 16.327 -9.949 4.911 1.00 62.43 H new ATOM 0 HZ3 LYS A 70 17.151 -9.161 6.170 1.00 62.43 H new ATOM 1081 N LEU A 71 10.320 -7.151 3.363 1.00 21.24 N ATOM 1082 CA LEU A 71 9.014 -7.806 3.212 1.00 34.11 C ATOM 1083 C LEU A 71 8.737 -8.170 1.740 1.00 31.33 C ATOM 1084 O LEU A 71 8.192 -9.235 1.440 1.00 74.32 O ATOM 1085 CB LEU A 71 7.909 -6.886 3.759 1.00 72.10 C ATOM 1086 CG LEU A 71 6.508 -7.513 3.863 1.00 51.12 C ATOM 1087 CD1 LEU A 71 6.514 -8.694 4.831 1.00 34.55 C ATOM 1088 CD2 LEU A 71 5.478 -6.469 4.296 1.00 54.51 C ATOM 0 H LEU A 71 10.269 -6.192 3.706 1.00 21.24 H new ATOM 0 HA LEU A 71 9.024 -8.735 3.783 1.00 34.11 H new ATOM 0 HB2 LEU A 71 8.207 -6.541 4.749 1.00 72.10 H new ATOM 0 HB3 LEU A 71 7.846 -6.005 3.120 1.00 72.10 H new ATOM 0 HG LEU A 71 6.228 -7.881 2.876 1.00 51.12 H new ATOM 0 HD11 LEU A 71 5.513 -9.122 4.889 1.00 34.55 H new ATOM 0 HD12 LEU A 71 7.213 -9.452 4.476 1.00 34.55 H new ATOM 0 HD13 LEU A 71 6.820 -8.352 5.820 1.00 34.55 H new ATOM 0 HD21 LEU A 71 4.495 -6.934 4.363 1.00 54.51 H new ATOM 0 HD22 LEU A 71 5.756 -6.066 5.270 1.00 54.51 H new ATOM 0 HD23 LEU A 71 5.448 -5.662 3.564 1.00 54.51 H new ATOM 1100 N ALA A 72 9.135 -7.284 0.828 1.00 22.41 N ATOM 1101 CA ALA A 72 8.959 -7.510 -0.611 1.00 22.33 C ATOM 1102 C ALA A 72 9.769 -8.722 -1.102 1.00 10.20 C ATOM 1103 O ALA A 72 9.266 -9.551 -1.868 1.00 71.25 O ATOM 1104 CB ALA A 72 9.346 -6.259 -1.396 1.00 54.34 C ATOM 0 H ALA A 72 9.584 -6.398 1.059 1.00 22.41 H new ATOM 0 HA ALA A 72 7.905 -7.727 -0.784 1.00 22.33 H new ATOM 0 HB1 ALA A 72 9.210 -6.442 -2.462 1.00 54.34 H new ATOM 0 HB2 ALA A 72 8.714 -5.426 -1.087 1.00 54.34 H new ATOM 0 HB3 ALA A 72 10.390 -6.015 -1.200 1.00 54.34 H new ATOM 1110 N ARG A 73 11.024 -8.825 -0.656 1.00 70.30 N ATOM 1111 CA ARG A 73 11.883 -9.954 -1.032 1.00 52.53 C ATOM 1112 C ARG A 73 11.358 -11.267 -0.431 1.00 65.01 C ATOM 1113 O ARG A 73 11.354 -12.304 -1.091 1.00 1.41 O ATOM 1114 CB ARG A 73 13.339 -9.718 -0.595 1.00 11.14 C ATOM 1115 CG ARG A 73 13.923 -8.393 -1.081 1.00 33.00 C ATOM 1116 CD ARG A 73 15.449 -8.389 -1.061 1.00 4.15 C ATOM 1117 NE ARG A 73 16.002 -8.749 0.246 1.00 41.23 N ATOM 1118 CZ ARG A 73 17.120 -8.275 0.725 1.00 63.24 C ATOM 1119 NH1 ARG A 73 17.792 -7.381 0.073 1.00 75.15 N ATOM 1120 NH2 ARG A 73 17.569 -8.705 1.861 1.00 12.33 N ATOM 0 H ARG A 73 11.467 -8.145 -0.038 1.00 70.30 H new ATOM 0 HA ARG A 73 11.860 -10.034 -2.119 1.00 52.53 H new ATOM 0 HB2 ARG A 73 13.391 -9.750 0.493 1.00 11.14 H new ATOM 0 HB3 ARG A 73 13.957 -10.535 -0.968 1.00 11.14 H new ATOM 0 HG2 ARG A 73 13.575 -8.196 -2.095 1.00 33.00 H new ATOM 0 HG3 ARG A 73 13.552 -7.583 -0.453 1.00 33.00 H new ATOM 0 HD2 ARG A 73 15.819 -9.087 -1.811 1.00 4.15 H new ATOM 0 HD3 ARG A 73 15.809 -7.399 -1.342 1.00 4.15 H new ATOM 0 HE ARG A 73 15.480 -9.412 0.819 1.00 41.23 H new ATOM 0 HH11 ARG A 73 17.449 -7.040 -0.825 1.00 75.15 H new ATOM 0 HH12 ARG A 73 18.664 -7.018 0.457 1.00 75.15 H new ATOM 0 HH21 ARG A 73 17.049 -9.413 2.380 1.00 12.33 H new ATOM 0 HH22 ARG A 73 18.442 -8.336 2.237 1.00 12.33 H new ATOM 1134 N GLN A 74 10.902 -11.210 0.820 1.00 2.23 N ATOM 1135 CA GLN A 74 10.325 -12.380 1.494 1.00 73.20 C ATOM 1136 C GLN A 74 9.113 -12.932 0.722 1.00 73.34 C ATOM 1137 O GLN A 74 8.955 -14.145 0.571 1.00 32.05 O ATOM 1138 CB GLN A 74 9.903 -12.008 2.921 1.00 25.25 C ATOM 1139 CG GLN A 74 9.214 -13.140 3.678 1.00 51.11 C ATOM 1140 CD GLN A 74 8.714 -12.721 5.050 1.00 61.41 C ATOM 1141 OE1 GLN A 74 7.700 -13.216 5.531 1.00 21.54 O ATOM 1142 NE2 GLN A 74 9.425 -11.824 5.704 1.00 2.22 N ATOM 0 H GLN A 74 10.920 -10.365 1.391 1.00 2.23 H new ATOM 0 HA GLN A 74 11.089 -13.157 1.528 1.00 73.20 H new ATOM 0 HB2 GLN A 74 10.785 -11.695 3.480 1.00 25.25 H new ATOM 0 HB3 GLN A 74 9.231 -11.151 2.879 1.00 25.25 H new ATOM 0 HG2 GLN A 74 8.374 -13.505 3.088 1.00 51.11 H new ATOM 0 HG3 GLN A 74 9.910 -13.971 3.790 1.00 51.11 H new ATOM 0 HE21 GLN A 74 10.264 -11.430 5.279 1.00 2.22 H new ATOM 0 HE22 GLN A 74 9.136 -11.524 6.635 1.00 2.22 H new ATOM 1151 N TRP A 75 8.262 -12.034 0.231 1.00 23.54 N ATOM 1152 CA TRP A 75 7.052 -12.430 -0.505 1.00 32.11 C ATOM 1153 C TRP A 75 7.319 -12.625 -2.010 1.00 2.13 C ATOM 1154 O TRP A 75 6.388 -12.819 -2.794 1.00 35.43 O ATOM 1155 CB TRP A 75 5.943 -11.386 -0.294 1.00 31.25 C ATOM 1156 CG TRP A 75 5.465 -11.282 1.133 1.00 33.43 C ATOM 1157 CD1 TRP A 75 6.001 -11.892 2.233 1.00 12.41 C ATOM 1158 CD2 TRP A 75 4.351 -10.514 1.607 1.00 63.31 C ATOM 1159 NE1 TRP A 75 5.290 -11.553 3.356 1.00 12.12 N ATOM 1160 CE2 TRP A 75 4.271 -10.711 3.000 1.00 34.43 C ATOM 1161 CE3 TRP A 75 3.412 -9.684 0.990 1.00 65.42 C ATOM 1162 CZ2 TRP A 75 3.294 -10.104 3.784 1.00 40.45 C ATOM 1163 CZ3 TRP A 75 2.441 -9.081 1.771 1.00 13.32 C ATOM 1164 CH2 TRP A 75 2.387 -9.297 3.154 1.00 0.42 C ATOM 0 H TRP A 75 8.383 -11.026 0.327 1.00 23.54 H new ATOM 0 HA TRP A 75 6.730 -13.393 -0.108 1.00 32.11 H new ATOM 0 HB2 TRP A 75 6.309 -10.411 -0.616 1.00 31.25 H new ATOM 0 HB3 TRP A 75 5.096 -11.636 -0.933 1.00 31.25 H new ATOM 0 HD1 TRP A 75 6.860 -12.546 2.220 1.00 12.41 H new ATOM 0 HE1 TRP A 75 5.488 -11.876 4.303 1.00 12.12 H new ATOM 0 HE3 TRP A 75 3.443 -9.516 -0.076 1.00 65.42 H new ATOM 0 HZ2 TRP A 75 3.254 -10.264 4.851 1.00 40.45 H new ATOM 0 HZ3 TRP A 75 1.713 -8.433 1.306 1.00 13.32 H new ATOM 0 HH2 TRP A 75 1.613 -8.817 3.735 1.00 0.42 H new ATOM 1175 N GLY A 76 8.589 -12.567 -2.412 1.00 53.43 N ATOM 1176 CA GLY A 76 8.954 -12.825 -3.806 1.00 11.24 C ATOM 1177 C GLY A 76 8.831 -11.603 -4.715 1.00 51.13 C ATOM 1178 O GLY A 76 9.711 -11.344 -5.540 1.00 74.31 O ATOM 0 H GLY A 76 9.375 -12.346 -1.800 1.00 53.43 H new ATOM 0 HA2 GLY A 76 9.981 -13.190 -3.841 1.00 11.24 H new ATOM 0 HA3 GLY A 76 8.320 -13.621 -4.196 1.00 11.24 H new ATOM 1182 N VAL A 77 7.749 -10.843 -4.552 1.00 41.44 N ATOM 1183 CA VAL A 77 7.451 -9.684 -5.407 1.00 4.30 C ATOM 1184 C VAL A 77 8.616 -8.677 -5.513 1.00 22.21 C ATOM 1185 O VAL A 77 8.644 -7.849 -6.425 1.00 61.43 O ATOM 1186 CB VAL A 77 6.187 -8.947 -4.904 1.00 4.43 C ATOM 1187 CG1 VAL A 77 4.976 -9.878 -4.934 1.00 60.12 C ATOM 1188 CG2 VAL A 77 6.405 -8.380 -3.501 1.00 21.23 C ATOM 0 H VAL A 77 7.052 -11.009 -3.826 1.00 41.44 H new ATOM 0 HA VAL A 77 7.284 -10.090 -6.405 1.00 4.30 H new ATOM 0 HB VAL A 77 5.992 -8.110 -5.575 1.00 4.43 H new ATOM 0 HG11 VAL A 77 4.096 -9.342 -4.577 1.00 60.12 H new ATOM 0 HG12 VAL A 77 4.804 -10.218 -5.955 1.00 60.12 H new ATOM 0 HG13 VAL A 77 5.163 -10.738 -4.291 1.00 60.12 H new ATOM 0 HG21 VAL A 77 5.501 -7.867 -3.171 1.00 21.23 H new ATOM 0 HG22 VAL A 77 6.633 -9.193 -2.811 1.00 21.23 H new ATOM 0 HG23 VAL A 77 7.236 -7.675 -3.519 1.00 21.23 H new ATOM 1256 N ASN A 82 10.980 -7.905 -8.782 1.00 72.31 N ATOM 1257 CA ASN A 82 10.223 -8.810 -9.652 1.00 1.03 C ATOM 1258 C ASN A 82 9.373 -7.985 -10.630 1.00 64.23 C ATOM 1259 O ASN A 82 9.067 -6.831 -10.350 1.00 54.41 O ATOM 1260 CB ASN A 82 9.339 -9.729 -8.793 1.00 43.11 C ATOM 1261 CG ASN A 82 8.588 -10.776 -9.593 1.00 4.41 C ATOM 1262 OD1 ASN A 82 9.016 -11.183 -10.667 1.00 24.51 O ATOM 1263 ND2 ASN A 82 7.468 -11.234 -9.068 1.00 13.03 N ATOM 0 HA ASN A 82 10.907 -9.433 -10.228 1.00 1.03 H new ATOM 0 HB2 ASN A 82 9.963 -10.229 -8.052 1.00 43.11 H new ATOM 0 HB3 ASN A 82 8.621 -9.119 -8.245 1.00 43.11 H new ATOM 0 HD21 ASN A 82 6.930 -11.949 -9.558 1.00 13.03 H new ATOM 0 HD22 ASN A 82 7.140 -10.874 -8.172 1.00 13.03 H new ATOM 1270 N ASN A 83 9.013 -8.559 -11.777 1.00 14.34 N ATOM 1271 CA ASN A 83 8.255 -7.815 -12.798 1.00 32.45 C ATOM 1272 C ASN A 83 6.962 -7.170 -12.234 1.00 21.23 C ATOM 1273 O ASN A 83 6.997 -6.051 -11.717 1.00 3.22 O ATOM 1274 CB ASN A 83 7.950 -8.705 -14.019 1.00 73.01 C ATOM 1275 CG ASN A 83 7.503 -10.118 -13.662 1.00 3.52 C ATOM 1276 OD1 ASN A 83 7.649 -11.041 -14.454 1.00 24.53 O ATOM 1277 ND2 ASN A 83 6.981 -10.312 -12.465 1.00 41.50 N ATOM 0 H ASN A 83 9.228 -9.524 -12.027 1.00 14.34 H new ATOM 0 HA ASN A 83 8.892 -6.993 -13.124 1.00 32.45 H new ATOM 0 HB2 ASN A 83 7.172 -8.229 -14.617 1.00 73.01 H new ATOM 0 HB3 ASN A 83 8.841 -8.764 -14.644 1.00 73.01 H new ATOM 0 HD21 ASN A 83 6.689 -11.247 -12.182 1.00 41.50 H new ATOM 0 HD22 ASN A 83 6.870 -9.527 -11.824 1.00 41.50 H new ATOM 1284 N ASN A 84 5.829 -7.859 -12.326 1.00 34.51 N ATOM 1285 CA ASN A 84 4.567 -7.321 -11.811 1.00 60.32 C ATOM 1286 C ASN A 84 4.463 -7.462 -10.282 1.00 42.13 C ATOM 1287 O ASN A 84 3.742 -8.322 -9.774 1.00 32.13 O ATOM 1288 CB ASN A 84 3.379 -8.015 -12.487 1.00 41.13 C ATOM 1289 CG ASN A 84 3.351 -7.804 -13.989 1.00 44.55 C ATOM 1290 OD1 ASN A 84 4.385 -7.691 -14.636 1.00 0.42 O ATOM 1291 ND2 ASN A 84 2.164 -7.748 -14.556 1.00 12.54 N ATOM 0 H ASN A 84 5.755 -8.784 -12.748 1.00 34.51 H new ATOM 0 HA ASN A 84 4.545 -6.257 -12.046 1.00 60.32 H new ATOM 0 HB2 ASN A 84 3.420 -9.084 -12.276 1.00 41.13 H new ATOM 0 HB3 ASN A 84 2.451 -7.640 -12.055 1.00 41.13 H new ATOM 0 HD21 ASN A 84 2.086 -7.607 -15.563 1.00 12.54 H new ATOM 0 HD22 ASN A 84 1.322 -7.846 -13.988 1.00 12.54 H new ATOM 1298 N GLY A 85 5.196 -6.619 -9.556 1.00 4.10 N ATOM 1299 CA GLY A 85 5.146 -6.638 -8.095 1.00 41.41 C ATOM 1300 C GLY A 85 5.145 -5.241 -7.475 1.00 1.32 C ATOM 1301 O GLY A 85 5.866 -4.349 -7.935 1.00 34.33 O ATOM 0 H GLY A 85 5.826 -5.921 -9.951 1.00 4.10 H new ATOM 0 HA2 GLY A 85 4.251 -7.171 -7.775 1.00 41.41 H new ATOM 0 HA3 GLY A 85 6.002 -7.196 -7.716 1.00 41.41 H new ATOM 1305 N LEU A 86 4.331 -5.051 -6.435 1.00 12.21 N ATOM 1306 CA LEU A 86 4.237 -3.762 -5.735 1.00 13.13 C ATOM 1307 C LEU A 86 3.808 -3.956 -4.272 1.00 2.44 C ATOM 1308 O LEU A 86 2.802 -4.609 -3.989 1.00 34.34 O ATOM 1309 CB LEU A 86 3.236 -2.841 -6.450 1.00 21.41 C ATOM 1310 CG LEU A 86 3.104 -1.422 -5.867 1.00 20.53 C ATOM 1311 CD1 LEU A 86 4.448 -0.704 -5.889 1.00 1.24 C ATOM 1312 CD2 LEU A 86 2.052 -0.619 -6.632 1.00 31.22 C ATOM 0 H LEU A 86 3.723 -5.776 -6.055 1.00 12.21 H new ATOM 0 HA LEU A 86 5.225 -3.302 -5.747 1.00 13.13 H new ATOM 0 HB2 LEU A 86 3.529 -2.759 -7.497 1.00 21.41 H new ATOM 0 HB3 LEU A 86 2.255 -3.315 -6.430 1.00 21.41 H new ATOM 0 HG LEU A 86 2.780 -1.509 -4.830 1.00 20.53 H new ATOM 0 HD11 LEU A 86 4.333 0.297 -5.473 1.00 1.24 H new ATOM 0 HD12 LEU A 86 5.169 -1.264 -5.294 1.00 1.24 H new ATOM 0 HD13 LEU A 86 4.805 -0.631 -6.916 1.00 1.24 H new ATOM 0 HD21 LEU A 86 1.975 0.380 -6.204 1.00 31.22 H new ATOM 0 HD22 LEU A 86 2.343 -0.543 -7.680 1.00 31.22 H new ATOM 0 HD23 LEU A 86 1.087 -1.121 -6.559 1.00 31.22 H new ATOM 1324 N LEU A 87 4.570 -3.383 -3.343 1.00 14.33 N ATOM 1325 CA LEU A 87 4.269 -3.513 -1.911 1.00 42.31 C ATOM 1326 C LEU A 87 3.959 -2.155 -1.261 1.00 43.51 C ATOM 1327 O LEU A 87 4.759 -1.223 -1.331 1.00 10.24 O ATOM 1328 CB LEU A 87 5.446 -4.177 -1.182 1.00 43.51 C ATOM 1329 CG LEU A 87 5.254 -4.380 0.331 1.00 1.53 C ATOM 1330 CD1 LEU A 87 4.083 -5.319 0.614 1.00 20.40 C ATOM 1331 CD2 LEU A 87 6.537 -4.903 0.965 1.00 72.30 C ATOM 0 H LEU A 87 5.398 -2.825 -3.551 1.00 14.33 H new ATOM 0 HA LEU A 87 3.379 -4.137 -1.822 1.00 42.31 H new ATOM 0 HB2 LEU A 87 5.635 -5.148 -1.641 1.00 43.51 H new ATOM 0 HB3 LEU A 87 6.338 -3.571 -1.340 1.00 43.51 H new ATOM 0 HG LEU A 87 5.020 -3.414 0.778 1.00 1.53 H new ATOM 0 HD11 LEU A 87 3.970 -5.445 1.691 1.00 20.40 H new ATOM 0 HD12 LEU A 87 3.168 -4.895 0.200 1.00 20.40 H new ATOM 0 HD13 LEU A 87 4.274 -6.288 0.153 1.00 20.40 H new ATOM 0 HD21 LEU A 87 6.384 -5.041 2.035 1.00 72.30 H new ATOM 0 HD22 LEU A 87 6.805 -5.857 0.511 1.00 72.30 H new ATOM 0 HD23 LEU A 87 7.342 -4.186 0.803 1.00 72.30 H new ATOM 1343 N LEU A 88 2.792 -2.062 -0.628 1.00 61.33 N ATOM 1344 CA LEU A 88 2.392 -0.868 0.131 1.00 34.13 C ATOM 1345 C LEU A 88 2.334 -1.173 1.637 1.00 52.24 C ATOM 1346 O LEU A 88 1.599 -2.056 2.068 1.00 74.52 O ATOM 1347 CB LEU A 88 1.020 -0.369 -0.355 1.00 21.22 C ATOM 1348 CG LEU A 88 0.391 0.767 0.475 1.00 23.11 C ATOM 1349 CD1 LEU A 88 1.302 1.991 0.512 1.00 31.03 C ATOM 1350 CD2 LEU A 88 -0.989 1.131 -0.073 1.00 20.21 C ATOM 0 H LEU A 88 2.095 -2.807 -0.623 1.00 61.33 H new ATOM 0 HA LEU A 88 3.137 -0.090 -0.036 1.00 34.13 H new ATOM 0 HB2 LEU A 88 1.122 -0.028 -1.385 1.00 21.22 H new ATOM 0 HB3 LEU A 88 0.330 -1.212 -0.365 1.00 21.22 H new ATOM 0 HG LEU A 88 0.271 0.412 1.498 1.00 23.11 H new ATOM 0 HD11 LEU A 88 0.832 2.776 1.104 1.00 31.03 H new ATOM 0 HD12 LEU A 88 2.258 1.720 0.961 1.00 31.03 H new ATOM 0 HD13 LEU A 88 1.468 2.352 -0.503 1.00 31.03 H new ATOM 0 HD21 LEU A 88 -1.418 1.935 0.526 1.00 20.21 H new ATOM 0 HD22 LEU A 88 -0.894 1.460 -1.108 1.00 20.21 H new ATOM 0 HD23 LEU A 88 -1.640 0.258 -0.028 1.00 20.21 H new ATOM 1362 N VAL A 89 3.110 -0.441 2.437 1.00 65.44 N ATOM 1363 CA VAL A 89 3.118 -0.636 3.895 1.00 32.52 C ATOM 1364 C VAL A 89 2.771 0.660 4.647 1.00 5.23 C ATOM 1365 O VAL A 89 3.443 1.681 4.489 1.00 54.23 O ATOM 1366 CB VAL A 89 4.491 -1.162 4.393 1.00 12.22 C ATOM 1367 CG1 VAL A 89 4.498 -1.332 5.914 1.00 75.33 C ATOM 1368 CG2 VAL A 89 4.845 -2.480 3.702 1.00 62.12 C ATOM 0 H VAL A 89 3.740 0.290 2.106 1.00 65.44 H new ATOM 0 HA VAL A 89 2.352 -1.382 4.108 1.00 32.52 H new ATOM 0 HB VAL A 89 5.248 -0.422 4.135 1.00 12.22 H new ATOM 0 HG11 VAL A 89 5.472 -1.702 6.234 1.00 75.33 H new ATOM 0 HG12 VAL A 89 4.301 -0.371 6.388 1.00 75.33 H new ATOM 0 HG13 VAL A 89 3.726 -2.045 6.204 1.00 75.33 H new ATOM 0 HG21 VAL A 89 5.811 -2.833 4.064 1.00 62.12 H new ATOM 0 HG22 VAL A 89 4.080 -3.224 3.924 1.00 62.12 H new ATOM 0 HG23 VAL A 89 4.897 -2.323 2.625 1.00 62.12 H new ATOM 1378 N LEU A 90 1.715 0.604 5.459 1.00 64.04 N ATOM 1379 CA LEU A 90 1.298 1.733 6.300 1.00 24.22 C ATOM 1380 C LEU A 90 1.856 1.602 7.727 1.00 1.22 C ATOM 1381 O LEU A 90 1.541 0.645 8.441 1.00 71.14 O ATOM 1382 CB LEU A 90 -0.239 1.817 6.361 1.00 2.15 C ATOM 1383 CG LEU A 90 -0.806 2.824 7.382 1.00 34.31 C ATOM 1384 CD1 LEU A 90 -0.534 4.265 6.963 1.00 62.13 C ATOM 1385 CD2 LEU A 90 -2.300 2.597 7.598 1.00 63.33 C ATOM 0 H LEU A 90 1.124 -0.222 5.554 1.00 64.04 H new ATOM 0 HA LEU A 90 1.697 2.643 5.851 1.00 24.22 H new ATOM 0 HB2 LEU A 90 -0.611 2.081 5.371 1.00 2.15 H new ATOM 0 HB3 LEU A 90 -0.631 0.827 6.596 1.00 2.15 H new ATOM 0 HG LEU A 90 -0.291 2.654 8.328 1.00 34.31 H new ATOM 0 HD11 LEU A 90 -0.949 4.945 7.707 1.00 62.13 H new ATOM 0 HD12 LEU A 90 0.541 4.424 6.885 1.00 62.13 H new ATOM 0 HD13 LEU A 90 -1.000 4.457 5.997 1.00 62.13 H new ATOM 0 HD21 LEU A 90 -2.677 3.319 8.322 1.00 63.33 H new ATOM 0 HD22 LEU A 90 -2.828 2.722 6.652 1.00 63.33 H new ATOM 0 HD23 LEU A 90 -2.464 1.587 7.974 1.00 63.33 H new ATOM 1397 N VAL A 91 2.675 2.566 8.139 1.00 42.22 N ATOM 1398 CA VAL A 91 3.224 2.587 9.499 1.00 75.11 C ATOM 1399 C VAL A 91 2.502 3.626 10.371 1.00 35.00 C ATOM 1400 O VAL A 91 2.792 4.823 10.293 1.00 50.32 O ATOM 1401 CB VAL A 91 4.743 2.893 9.488 1.00 34.52 C ATOM 1402 CG1 VAL A 91 5.310 2.922 10.908 1.00 54.53 C ATOM 1403 CG2 VAL A 91 5.488 1.874 8.627 1.00 10.25 C ATOM 0 H VAL A 91 2.975 3.345 7.553 1.00 42.22 H new ATOM 0 HA VAL A 91 3.067 1.595 9.922 1.00 75.11 H new ATOM 0 HB VAL A 91 4.886 3.882 9.053 1.00 34.52 H new ATOM 0 HG11 VAL A 91 6.377 3.139 10.869 1.00 54.53 H new ATOM 0 HG12 VAL A 91 4.804 3.695 11.486 1.00 54.53 H new ATOM 0 HG13 VAL A 91 5.154 1.953 11.382 1.00 54.53 H new ATOM 0 HG21 VAL A 91 6.553 2.104 8.631 1.00 10.25 H new ATOM 0 HG22 VAL A 91 5.332 0.873 9.030 1.00 10.25 H new ATOM 0 HG23 VAL A 91 5.111 1.916 7.605 1.00 10.25 H new ATOM 1413 N LEU A 92 1.564 3.161 11.199 1.00 43.33 N ATOM 1414 CA LEU A 92 0.794 4.043 12.094 1.00 63.41 C ATOM 1415 C LEU A 92 1.721 4.906 12.969 1.00 25.11 C ATOM 1416 O LEU A 92 1.475 6.095 13.177 1.00 40.34 O ATOM 1417 CB LEU A 92 -0.133 3.200 12.985 1.00 62.02 C ATOM 1418 CG LEU A 92 -0.985 3.986 13.999 1.00 14.40 C ATOM 1419 CD1 LEU A 92 -1.920 4.962 13.288 1.00 73.33 C ATOM 1420 CD2 LEU A 92 -1.776 3.030 14.893 1.00 1.12 C ATOM 0 H LEU A 92 1.315 2.175 11.272 1.00 43.33 H new ATOM 0 HA LEU A 92 0.197 4.713 11.476 1.00 63.41 H new ATOM 0 HB2 LEU A 92 -0.803 2.629 12.342 1.00 62.02 H new ATOM 0 HB3 LEU A 92 0.476 2.480 13.532 1.00 62.02 H new ATOM 0 HG LEU A 92 -0.311 4.566 14.630 1.00 14.40 H new ATOM 0 HD11 LEU A 92 -2.510 5.504 14.027 1.00 73.33 H new ATOM 0 HD12 LEU A 92 -1.332 5.669 12.704 1.00 73.33 H new ATOM 0 HD13 LEU A 92 -2.587 4.410 12.625 1.00 73.33 H new ATOM 0 HD21 LEU A 92 -2.372 3.604 15.603 1.00 1.12 H new ATOM 0 HD22 LEU A 92 -2.435 2.418 14.278 1.00 1.12 H new ATOM 0 HD23 LEU A 92 -1.086 2.385 15.437 1.00 1.12 H new ATOM 1432 N ASP A 93 2.793 4.289 13.454 1.00 33.40 N ATOM 1433 CA ASP A 93 3.809 4.956 14.280 1.00 52.01 C ATOM 1434 C ASP A 93 4.287 6.297 13.678 1.00 13.34 C ATOM 1435 O ASP A 93 4.655 7.220 14.407 1.00 15.43 O ATOM 1436 CB ASP A 93 4.995 3.997 14.456 1.00 53.13 C ATOM 1437 CG ASP A 93 6.169 4.619 15.185 1.00 3.40 C ATOM 1438 OD1 ASP A 93 6.014 4.976 16.369 1.00 53.22 O ATOM 1439 OD2 ASP A 93 7.254 4.738 14.581 1.00 54.12 O ATOM 0 H ASP A 93 2.989 3.302 13.287 1.00 33.40 H new ATOM 0 HA ASP A 93 3.360 5.199 15.243 1.00 52.01 H new ATOM 0 HB2 ASP A 93 4.662 3.116 15.004 1.00 53.13 H new ATOM 0 HB3 ASP A 93 5.325 3.656 13.475 1.00 53.13 H new ATOM 1444 N GLN A 94 4.277 6.398 12.350 1.00 13.50 N ATOM 1445 CA GLN A 94 4.745 7.610 11.659 1.00 75.14 C ATOM 1446 C GLN A 94 3.675 8.164 10.702 1.00 13.11 C ATOM 1447 O GLN A 94 3.903 9.166 10.025 1.00 40.53 O ATOM 1448 CB GLN A 94 6.026 7.291 10.873 1.00 15.43 C ATOM 1449 CG GLN A 94 7.146 6.717 11.736 1.00 65.11 C ATOM 1450 CD GLN A 94 8.360 6.292 10.928 1.00 25.13 C ATOM 1451 OE1 GLN A 94 9.281 7.068 10.707 1.00 51.41 O ATOM 1452 NE2 GLN A 94 8.373 5.054 10.480 1.00 73.42 N ATOM 0 H GLN A 94 3.951 5.659 11.727 1.00 13.50 H new ATOM 0 HA GLN A 94 4.949 8.371 12.412 1.00 75.14 H new ATOM 0 HB2 GLN A 94 5.789 6.581 10.081 1.00 15.43 H new ATOM 0 HB3 GLN A 94 6.381 8.201 10.389 1.00 15.43 H new ATOM 0 HG2 GLN A 94 7.449 7.462 12.471 1.00 65.11 H new ATOM 0 HG3 GLN A 94 6.767 5.858 12.290 1.00 65.11 H new ATOM 0 HE21 GLN A 94 7.591 4.431 10.681 1.00 73.42 H new ATOM 0 HE22 GLN A 94 9.165 4.718 9.932 1.00 73.42 H new ATOM 1461 N ARG A 95 2.513 7.502 10.671 1.00 40.24 N ATOM 1462 CA ARG A 95 1.417 7.794 9.720 1.00 12.41 C ATOM 1463 C ARG A 95 1.925 7.938 8.266 1.00 12.33 C ATOM 1464 O ARG A 95 1.305 8.601 7.437 1.00 42.51 O ATOM 1465 CB ARG A 95 0.606 9.039 10.158 1.00 1.11 C ATOM 1466 CG ARG A 95 1.248 10.389 9.840 1.00 41.53 C ATOM 1467 CD ARG A 95 0.376 11.553 10.305 1.00 2.31 C ATOM 1468 NE ARG A 95 0.343 11.673 11.765 1.00 43.24 N ATOM 1469 CZ ARG A 95 -0.729 11.537 12.502 1.00 73.14 C ATOM 1470 NH1 ARG A 95 -1.865 11.205 11.970 1.00 33.23 N ATOM 1471 NH2 ARG A 95 -0.658 11.721 13.779 1.00 55.02 N ATOM 0 H ARG A 95 2.298 6.737 11.311 1.00 40.24 H new ATOM 0 HA ARG A 95 0.747 6.934 9.738 1.00 12.41 H new ATOM 0 HB2 ARG A 95 -0.373 9.000 9.679 1.00 1.11 H new ATOM 0 HB3 ARG A 95 0.437 8.981 11.233 1.00 1.11 H new ATOM 0 HG2 ARG A 95 2.224 10.450 10.322 1.00 41.53 H new ATOM 0 HG3 ARG A 95 1.417 10.467 8.766 1.00 41.53 H new ATOM 0 HD2 ARG A 95 0.752 12.481 9.875 1.00 2.31 H new ATOM 0 HD3 ARG A 95 -0.639 11.417 9.931 1.00 2.31 H new ATOM 0 HE ARG A 95 1.221 11.878 12.242 1.00 43.24 H new ATOM 0 HH11 ARG A 95 -1.930 11.046 10.965 1.00 33.23 H new ATOM 0 HH12 ARG A 95 -2.693 11.103 12.557 1.00 33.23 H new ATOM 0 HH21 ARG A 95 0.232 11.972 14.209 1.00 55.02 H new ATOM 0 HH22 ARG A 95 -1.492 11.616 14.357 1.00 55.02 H new ATOM 1485 N ARG A 96 3.040 7.274 7.954 1.00 22.14 N ATOM 1486 CA ARG A 96 3.644 7.338 6.613 1.00 42.44 C ATOM 1487 C ARG A 96 3.651 5.964 5.934 1.00 12.41 C ATOM 1488 O ARG A 96 3.647 4.925 6.600 1.00 53.01 O ATOM 1489 CB ARG A 96 5.077 7.886 6.700 1.00 73.43 C ATOM 1490 CG ARG A 96 5.144 9.335 7.168 1.00 4.03 C ATOM 1491 CD ARG A 96 6.576 9.806 7.411 1.00 31.51 C ATOM 1492 NE ARG A 96 6.614 11.174 7.929 1.00 74.22 N ATOM 1493 CZ ARG A 96 7.663 11.949 7.893 1.00 64.14 C ATOM 1494 NH1 ARG A 96 8.787 11.517 7.416 1.00 1.44 N ATOM 1495 NH2 ARG A 96 7.591 13.154 8.356 1.00 11.51 N ATOM 0 H ARG A 96 3.548 6.682 8.612 1.00 22.14 H new ATOM 0 HA ARG A 96 3.036 8.011 6.008 1.00 42.44 H new ATOM 0 HB2 ARG A 96 5.655 7.264 7.384 1.00 73.43 H new ATOM 0 HB3 ARG A 96 5.549 7.806 5.721 1.00 73.43 H new ATOM 0 HG2 ARG A 96 4.676 9.976 6.421 1.00 4.03 H new ATOM 0 HG3 ARG A 96 4.568 9.443 8.087 1.00 4.03 H new ATOM 0 HD2 ARG A 96 7.065 9.135 8.118 1.00 31.51 H new ATOM 0 HD3 ARG A 96 7.140 9.754 6.480 1.00 31.51 H new ATOM 0 HE ARG A 96 5.762 11.547 8.347 1.00 74.22 H new ATOM 0 HH11 ARG A 96 8.858 10.562 7.064 1.00 1.44 H new ATOM 0 HH12 ARG A 96 9.601 12.131 7.393 1.00 1.44 H new ATOM 0 HH21 ARG A 96 6.715 13.498 8.749 1.00 11.51 H new ATOM 0 HH22 ARG A 96 8.410 13.761 8.328 1.00 11.51 H new ATOM 1509 N VAL A 97 3.667 5.973 4.601 1.00 52.02 N ATOM 1510 CA VAL A 97 3.635 4.736 3.804 1.00 61.32 C ATOM 1511 C VAL A 97 4.676 4.773 2.671 1.00 0.34 C ATOM 1512 O VAL A 97 5.299 5.805 2.416 1.00 75.42 O ATOM 1513 CB VAL A 97 2.229 4.491 3.180 1.00 74.02 C ATOM 1514 CG1 VAL A 97 1.127 4.671 4.210 1.00 1.43 C ATOM 1515 CG2 VAL A 97 1.986 5.398 1.974 1.00 34.52 C ATOM 0 H VAL A 97 3.702 6.826 4.043 1.00 52.02 H new ATOM 0 HA VAL A 97 3.870 3.922 4.489 1.00 61.32 H new ATOM 0 HB VAL A 97 2.207 3.457 2.836 1.00 74.02 H new ATOM 0 HG11 VAL A 97 0.159 4.493 3.742 1.00 1.43 H new ATOM 0 HG12 VAL A 97 1.272 3.962 5.025 1.00 1.43 H new ATOM 0 HG13 VAL A 97 1.159 5.687 4.603 1.00 1.43 H new ATOM 0 HG21 VAL A 97 0.996 5.200 1.564 1.00 34.52 H new ATOM 0 HG22 VAL A 97 2.048 6.441 2.285 1.00 34.52 H new ATOM 0 HG23 VAL A 97 2.740 5.201 1.212 1.00 34.52 H new ATOM 1525 N ARG A 98 4.861 3.639 1.999 1.00 12.32 N ATOM 1526 CA ARG A 98 5.720 3.570 0.808 1.00 33.24 C ATOM 1527 C ARG A 98 5.275 2.453 -0.149 1.00 23.30 C ATOM 1528 O ARG A 98 4.823 1.393 0.285 1.00 55.13 O ATOM 1529 CB ARG A 98 7.198 3.355 1.188 1.00 70.21 C ATOM 1530 CG ARG A 98 8.078 3.036 -0.022 1.00 2.43 C ATOM 1531 CD ARG A 98 9.558 2.890 0.321 1.00 43.13 C ATOM 1532 NE ARG A 98 10.317 2.400 -0.832 1.00 31.53 N ATOM 1533 CZ ARG A 98 10.588 3.114 -1.898 1.00 3.23 C ATOM 1534 NH1 ARG A 98 10.305 4.376 -1.946 1.00 41.51 N ATOM 1535 NH2 ARG A 98 11.164 2.568 -2.913 1.00 24.44 N ATOM 0 H ARG A 98 4.429 2.751 2.256 1.00 12.32 H new ATOM 0 HA ARG A 98 5.620 4.529 0.300 1.00 33.24 H new ATOM 0 HB2 ARG A 98 7.576 4.251 1.681 1.00 70.21 H new ATOM 0 HB3 ARG A 98 7.269 2.540 1.909 1.00 70.21 H new ATOM 0 HG2 ARG A 98 7.727 2.112 -0.482 1.00 2.43 H new ATOM 0 HG3 ARG A 98 7.962 3.826 -0.764 1.00 2.43 H new ATOM 0 HD2 ARG A 98 9.957 3.852 0.642 1.00 43.13 H new ATOM 0 HD3 ARG A 98 9.675 2.201 1.158 1.00 43.13 H new ATOM 0 HE ARG A 98 10.658 1.439 -0.804 1.00 31.53 H new ATOM 0 HH11 ARG A 98 9.864 4.831 -1.146 1.00 41.51 H new ATOM 0 HH12 ARG A 98 10.523 4.916 -2.783 1.00 41.51 H new ATOM 0 HH21 ARG A 98 11.410 1.578 -2.888 1.00 24.44 H new ATOM 0 HH22 ARG A 98 11.374 3.125 -3.741 1.00 24.44 H new ATOM 1549 N PHE A 99 5.411 2.710 -1.451 1.00 0.10 N ATOM 1550 CA PHE A 99 5.167 1.699 -2.486 1.00 22.33 C ATOM 1551 C PHE A 99 6.503 1.182 -3.057 1.00 53.13 C ATOM 1552 O PHE A 99 7.174 1.887 -3.809 1.00 12.33 O ATOM 1553 CB PHE A 99 4.330 2.290 -3.631 1.00 60.44 C ATOM 1554 CG PHE A 99 2.976 2.818 -3.223 1.00 43.42 C ATOM 1555 CD1 PHE A 99 2.843 4.095 -2.692 1.00 64.25 C ATOM 1556 CD2 PHE A 99 1.836 2.045 -3.389 1.00 51.43 C ATOM 1557 CE1 PHE A 99 1.601 4.585 -2.332 1.00 45.41 C ATOM 1558 CE2 PHE A 99 0.593 2.532 -3.033 1.00 21.33 C ATOM 1559 CZ PHE A 99 0.475 3.803 -2.505 1.00 55.32 C ATOM 0 H PHE A 99 5.692 3.619 -1.818 1.00 0.10 H new ATOM 0 HA PHE A 99 4.622 0.874 -2.028 1.00 22.33 H new ATOM 0 HB2 PHE A 99 4.895 3.099 -4.094 1.00 60.44 H new ATOM 0 HB3 PHE A 99 4.190 1.523 -4.392 1.00 60.44 H new ATOM 0 HD1 PHE A 99 3.719 4.712 -2.559 1.00 64.25 H new ATOM 0 HD2 PHE A 99 1.921 1.051 -3.801 1.00 51.43 H new ATOM 0 HE1 PHE A 99 1.511 5.578 -1.916 1.00 45.41 H new ATOM 0 HE2 PHE A 99 -0.286 1.919 -3.167 1.00 21.33 H new ATOM 0 HZ PHE A 99 -0.496 4.185 -2.228 1.00 55.32 H new ATOM 1569 N GLU A 100 6.898 -0.033 -2.687 1.00 75.50 N ATOM 1570 CA GLU A 100 8.126 -0.637 -3.227 1.00 62.32 C ATOM 1571 C GLU A 100 7.845 -1.288 -4.594 1.00 73.23 C ATOM 1572 O GLU A 100 7.112 -2.278 -4.679 1.00 61.33 O ATOM 1573 CB GLU A 100 8.693 -1.678 -2.234 1.00 23.14 C ATOM 1574 CG GLU A 100 10.119 -1.389 -1.758 1.00 50.51 C ATOM 1575 CD GLU A 100 11.128 -1.258 -2.892 1.00 71.41 C ATOM 1576 OE1 GLU A 100 11.423 -2.269 -3.561 1.00 51.11 O ATOM 1577 OE2 GLU A 100 11.647 -0.140 -3.108 1.00 42.55 O ATOM 0 H GLU A 100 6.395 -0.620 -2.021 1.00 75.50 H new ATOM 0 HA GLU A 100 8.870 0.147 -3.366 1.00 62.32 H new ATOM 0 HB2 GLU A 100 8.037 -1.728 -1.365 1.00 23.14 H new ATOM 0 HB3 GLU A 100 8.673 -2.660 -2.706 1.00 23.14 H new ATOM 0 HG2 GLU A 100 10.119 -0.468 -1.176 1.00 50.51 H new ATOM 0 HG3 GLU A 100 10.439 -2.188 -1.090 1.00 50.51 H new ATOM 1584 N THR A 101 8.418 -0.725 -5.662 1.00 41.23 N ATOM 1585 CA THR A 101 8.164 -1.212 -7.029 1.00 60.41 C ATOM 1586 C THR A 101 9.126 -2.317 -7.468 1.00 44.54 C ATOM 1587 O THR A 101 10.316 -2.313 -7.136 1.00 61.51 O ATOM 1588 CB THR A 101 8.241 -0.077 -8.086 1.00 54.53 C ATOM 1589 OG1 THR A 101 9.280 0.860 -7.752 1.00 10.51 O ATOM 1590 CG2 THR A 101 6.907 0.644 -8.219 1.00 22.53 C ATOM 0 H THR A 101 9.060 0.066 -5.611 1.00 41.23 H new ATOM 0 HA THR A 101 7.152 -1.615 -6.982 1.00 60.41 H new ATOM 0 HB THR A 101 8.478 -0.535 -9.046 1.00 54.53 H new ATOM 0 HG1 THR A 101 9.314 1.566 -8.430 1.00 10.51 H new ATOM 0 HG21 THR A 101 6.993 1.433 -8.966 1.00 22.53 H new ATOM 0 HG22 THR A 101 6.139 -0.066 -8.527 1.00 22.53 H new ATOM 0 HG23 THR A 101 6.633 1.082 -7.259 1.00 22.53 H new ATOM 1598 N GLY A 102 8.582 -3.264 -8.226 1.00 53.24 N ATOM 1599 CA GLY A 102 9.404 -4.239 -8.915 1.00 1.32 C ATOM 1600 C GLY A 102 9.789 -3.786 -10.316 1.00 71.52 C ATOM 1601 O GLY A 102 9.414 -2.699 -10.762 1.00 21.35 O ATOM 0 H GLY A 102 7.579 -3.373 -8.375 1.00 53.24 H new ATOM 0 HA2 GLY A 102 10.308 -4.424 -8.334 1.00 1.32 H new ATOM 0 HA3 GLY A 102 8.866 -5.185 -8.977 1.00 1.32 H new ATOM 1605 N TYR A 103 10.506 -4.645 -11.022 1.00 65.21 N ATOM 1606 CA TYR A 103 11.046 -4.328 -12.344 1.00 53.41 C ATOM 1607 C TYR A 103 9.943 -4.002 -13.372 1.00 65.52 C ATOM 1608 O TYR A 103 10.177 -3.273 -14.337 1.00 43.54 O ATOM 1609 CB TYR A 103 11.906 -5.511 -12.821 1.00 43.34 C ATOM 1610 CG TYR A 103 12.125 -5.565 -14.319 1.00 52.31 C ATOM 1611 CD1 TYR A 103 13.065 -4.753 -14.938 1.00 23.34 C ATOM 1612 CD2 TYR A 103 11.377 -6.429 -15.109 1.00 74.42 C ATOM 1613 CE1 TYR A 103 13.253 -4.800 -16.307 1.00 33.44 C ATOM 1614 CE2 TYR A 103 11.559 -6.482 -16.477 1.00 11.41 C ATOM 1615 CZ TYR A 103 12.496 -5.666 -17.072 1.00 42.01 C ATOM 1616 OH TYR A 103 12.680 -5.712 -18.437 1.00 71.32 O ATOM 0 H TYR A 103 10.733 -5.585 -10.698 1.00 65.21 H new ATOM 0 HA TYR A 103 11.656 -3.429 -12.260 1.00 53.41 H new ATOM 0 HB2 TYR A 103 12.876 -5.461 -12.326 1.00 43.34 H new ATOM 0 HB3 TYR A 103 11.433 -6.440 -12.502 1.00 43.34 H new ATOM 0 HD1 TYR A 103 13.658 -4.075 -14.342 1.00 23.34 H new ATOM 0 HD2 TYR A 103 10.641 -7.070 -14.646 1.00 74.42 H new ATOM 0 HE1 TYR A 103 13.988 -4.163 -16.776 1.00 33.44 H new ATOM 0 HE2 TYR A 103 10.970 -7.160 -17.077 1.00 11.41 H new ATOM 0 HH TYR A 103 12.071 -6.373 -18.827 1.00 71.32 H new ATOM 1626 N GLY A 104 8.741 -4.514 -13.151 1.00 32.10 N ATOM 1627 CA GLY A 104 7.666 -4.357 -14.131 1.00 55.11 C ATOM 1628 C GLY A 104 6.947 -3.019 -14.031 1.00 74.12 C ATOM 1629 O GLY A 104 6.343 -2.556 -14.997 1.00 34.10 O ATOM 0 H GLY A 104 8.483 -5.036 -12.314 1.00 32.10 H new ATOM 0 HA2 GLY A 104 8.080 -4.464 -15.134 1.00 55.11 H new ATOM 0 HA3 GLY A 104 6.942 -5.161 -13.997 1.00 55.11 H new ATOM 1633 N LEU A 105 7.018 -2.389 -12.863 1.00 74.55 N ATOM 1634 CA LEU A 105 6.272 -1.153 -12.606 1.00 31.31 C ATOM 1635 C LEU A 105 7.184 0.080 -12.531 1.00 10.02 C ATOM 1636 O LEU A 105 6.712 1.179 -12.254 1.00 24.54 O ATOM 1637 CB LEU A 105 5.469 -1.299 -11.307 1.00 44.41 C ATOM 1638 CG LEU A 105 4.408 -2.412 -11.322 1.00 72.04 C ATOM 1639 CD1 LEU A 105 3.689 -2.491 -9.982 1.00 34.12 C ATOM 1640 CD2 LEU A 105 3.408 -2.192 -12.459 1.00 3.11 C ATOM 0 H LEU A 105 7.583 -2.710 -12.077 1.00 74.55 H new ATOM 0 HA LEU A 105 5.596 -0.995 -13.446 1.00 31.31 H new ATOM 0 HB2 LEU A 105 6.163 -1.490 -10.488 1.00 44.41 H new ATOM 0 HB3 LEU A 105 4.976 -0.351 -11.093 1.00 44.41 H new ATOM 0 HG LEU A 105 4.915 -3.362 -11.493 1.00 72.04 H new ATOM 0 HD11 LEU A 105 2.943 -3.285 -10.016 1.00 34.12 H new ATOM 0 HD12 LEU A 105 4.411 -2.704 -9.194 1.00 34.12 H new ATOM 0 HD13 LEU A 105 3.198 -1.540 -9.776 1.00 34.12 H new ATOM 0 HD21 LEU A 105 2.666 -2.991 -12.451 1.00 3.11 H new ATOM 0 HD22 LEU A 105 2.909 -1.232 -12.324 1.00 3.11 H new ATOM 0 HD23 LEU A 105 3.935 -2.196 -13.413 1.00 3.11 H new ATOM 1652 N GLU A 106 8.478 -0.098 -12.798 1.00 14.34 N ATOM 1653 CA GLU A 106 9.437 1.019 -12.762 1.00 3.13 C ATOM 1654 C GLU A 106 9.024 2.161 -13.709 1.00 52.01 C ATOM 1655 O GLU A 106 9.178 3.341 -13.387 1.00 4.21 O ATOM 1656 CB GLU A 106 10.844 0.526 -13.131 1.00 63.41 C ATOM 1657 CG GLU A 106 11.364 -0.576 -12.217 1.00 23.30 C ATOM 1658 CD GLU A 106 12.790 -0.992 -12.542 1.00 62.30 C ATOM 1659 OE1 GLU A 106 13.054 -1.368 -13.703 1.00 53.43 O ATOM 1660 OE2 GLU A 106 13.649 -0.949 -11.638 1.00 12.15 O ATOM 0 H GLU A 106 8.890 -0.999 -13.041 1.00 14.34 H new ATOM 0 HA GLU A 106 9.441 1.410 -11.745 1.00 3.13 H new ATOM 0 HB2 GLU A 106 10.834 0.160 -14.158 1.00 63.41 H new ATOM 0 HB3 GLU A 106 11.535 1.369 -13.100 1.00 63.41 H new ATOM 0 HG2 GLU A 106 11.317 -0.235 -11.183 1.00 23.30 H new ATOM 0 HG3 GLU A 106 10.711 -1.445 -12.296 1.00 23.30 H new ATOM 1667 N GLY A 107 8.500 1.797 -14.878 1.00 42.44 N ATOM 1668 CA GLY A 107 8.067 2.789 -15.857 1.00 10.21 C ATOM 1669 C GLY A 107 6.694 3.389 -15.547 1.00 42.23 C ATOM 1670 O GLY A 107 6.495 4.598 -15.670 1.00 70.14 O ATOM 0 H GLY A 107 8.366 0.828 -15.168 1.00 42.44 H new ATOM 0 HA2 GLY A 107 8.804 3.591 -15.901 1.00 10.21 H new ATOM 0 HA3 GLY A 107 8.039 2.327 -16.844 1.00 10.21 H new ATOM 1674 N TYR A 108 5.747 2.544 -15.144 1.00 62.22 N ATOM 1675 CA TYR A 108 4.375 2.992 -14.852 1.00 54.13 C ATOM 1676 C TYR A 108 4.305 3.803 -13.549 1.00 53.13 C ATOM 1677 O TYR A 108 3.623 4.824 -13.471 1.00 71.21 O ATOM 1678 CB TYR A 108 3.424 1.786 -14.740 1.00 31.15 C ATOM 1679 CG TYR A 108 3.436 0.864 -15.948 1.00 52.34 C ATOM 1680 CD1 TYR A 108 2.662 1.140 -17.072 1.00 70.11 C ATOM 1681 CD2 TYR A 108 4.222 -0.283 -15.958 1.00 32.23 C ATOM 1682 CE1 TYR A 108 2.675 0.299 -18.170 1.00 11.24 C ATOM 1683 CE2 TYR A 108 4.241 -1.126 -17.054 1.00 25.43 C ATOM 1684 CZ TYR A 108 3.465 -0.832 -18.156 1.00 75.52 C ATOM 1685 OH TYR A 108 3.482 -1.671 -19.250 1.00 1.42 O ATOM 0 H TYR A 108 5.899 1.544 -15.010 1.00 62.22 H new ATOM 0 HA TYR A 108 4.068 3.632 -15.679 1.00 54.13 H new ATOM 0 HB2 TYR A 108 3.691 1.209 -13.855 1.00 31.15 H new ATOM 0 HB3 TYR A 108 2.409 2.152 -14.587 1.00 31.15 H new ATOM 0 HD1 TYR A 108 2.042 2.024 -17.087 1.00 70.11 H new ATOM 0 HD2 TYR A 108 4.828 -0.519 -15.096 1.00 32.23 H new ATOM 0 HE1 TYR A 108 2.069 0.527 -19.035 1.00 11.24 H new ATOM 0 HE2 TYR A 108 4.861 -2.011 -17.047 1.00 25.43 H new ATOM 0 HH TYR A 108 4.090 -2.420 -19.078 1.00 1.42 H new ATOM 1695 N LEU A 109 5.027 3.337 -12.533 1.00 31.42 N ATOM 1696 CA LEU A 109 4.916 3.877 -11.173 1.00 42.20 C ATOM 1697 C LEU A 109 6.298 4.180 -10.557 1.00 63.01 C ATOM 1698 O LEU A 109 6.864 3.352 -9.844 1.00 54.43 O ATOM 1699 CB LEU A 109 4.165 2.865 -10.295 1.00 74.40 C ATOM 1700 CG LEU A 109 2.746 2.503 -10.778 1.00 62.53 C ATOM 1701 CD1 LEU A 109 2.281 1.186 -10.165 1.00 55.31 C ATOM 1702 CD2 LEU A 109 1.766 3.628 -10.449 1.00 14.00 C ATOM 0 H LEU A 109 5.703 2.579 -12.624 1.00 31.42 H new ATOM 0 HA LEU A 109 4.369 4.819 -11.223 1.00 42.20 H new ATOM 0 HB2 LEU A 109 4.756 1.951 -10.236 1.00 74.40 H new ATOM 0 HB3 LEU A 109 4.096 3.266 -9.284 1.00 74.40 H new ATOM 0 HG LEU A 109 2.776 2.378 -11.860 1.00 62.53 H new ATOM 0 HD11 LEU A 109 1.278 0.953 -10.521 1.00 55.31 H new ATOM 0 HD12 LEU A 109 2.964 0.388 -10.456 1.00 55.31 H new ATOM 0 HD13 LEU A 109 2.269 1.275 -9.079 1.00 55.31 H new ATOM 0 HD21 LEU A 109 0.770 3.356 -10.797 1.00 14.00 H new ATOM 0 HD22 LEU A 109 1.743 3.787 -9.371 1.00 14.00 H new ATOM 0 HD23 LEU A 109 2.085 4.545 -10.944 1.00 14.00 H new ATOM 1714 N PRO A 110 6.877 5.359 -10.848 1.00 45.31 N ATOM 1715 CA PRO A 110 8.137 5.793 -10.226 1.00 60.44 C ATOM 1716 C PRO A 110 7.927 6.355 -8.805 1.00 3.41 C ATOM 1717 O PRO A 110 6.837 6.832 -8.473 1.00 44.21 O ATOM 1718 CB PRO A 110 8.623 6.887 -11.182 1.00 34.23 C ATOM 1719 CG PRO A 110 7.367 7.480 -11.732 1.00 44.25 C ATOM 1720 CD PRO A 110 6.372 6.347 -11.822 1.00 30.32 C ATOM 0 HA PRO A 110 8.844 4.974 -10.095 1.00 60.44 H new ATOM 0 HB2 PRO A 110 9.221 7.634 -10.660 1.00 34.23 H new ATOM 0 HB3 PRO A 110 9.248 6.475 -11.974 1.00 34.23 H new ATOM 0 HG2 PRO A 110 6.995 8.274 -11.085 1.00 44.25 H new ATOM 0 HG3 PRO A 110 7.542 7.923 -12.712 1.00 44.25 H new ATOM 0 HD2 PRO A 110 5.364 6.678 -11.571 1.00 30.32 H new ATOM 0 HD3 PRO A 110 6.329 5.931 -12.829 1.00 30.32 H new ATOM 1728 N ASP A 111 8.977 6.311 -7.978 1.00 13.53 N ATOM 1729 CA ASP A 111 8.909 6.802 -6.590 1.00 34.31 C ATOM 1730 C ASP A 111 8.265 8.199 -6.489 1.00 4.14 C ATOM 1731 O ASP A 111 7.546 8.487 -5.531 1.00 23.54 O ATOM 1732 CB ASP A 111 10.308 6.826 -5.962 1.00 5.30 C ATOM 1733 CG ASP A 111 10.859 5.432 -5.713 1.00 3.41 C ATOM 1734 OD1 ASP A 111 11.398 4.821 -6.658 1.00 13.44 O ATOM 1735 OD2 ASP A 111 10.761 4.943 -4.570 1.00 74.32 O ATOM 0 H ASP A 111 9.889 5.940 -8.244 1.00 13.53 H new ATOM 0 HA ASP A 111 8.272 6.109 -6.040 1.00 34.31 H new ATOM 0 HB2 ASP A 111 10.988 7.370 -6.618 1.00 5.30 H new ATOM 0 HB3 ASP A 111 10.270 7.372 -5.019 1.00 5.30 H new ATOM 1740 N GLY A 112 8.524 9.060 -7.473 1.00 32.11 N ATOM 1741 CA GLY A 112 7.918 10.391 -7.492 1.00 63.01 C ATOM 1742 C GLY A 112 6.392 10.349 -7.567 1.00 33.22 C ATOM 1743 O GLY A 112 5.703 10.996 -6.776 1.00 74.41 O ATOM 0 H GLY A 112 9.143 8.863 -8.260 1.00 32.11 H new ATOM 0 HA2 GLY A 112 8.218 10.934 -6.596 1.00 63.01 H new ATOM 0 HA3 GLY A 112 8.303 10.948 -8.346 1.00 63.01 H new ATOM 1747 N LEU A 113 5.863 9.575 -8.516 1.00 11.25 N ATOM 1748 CA LEU A 113 4.410 9.399 -8.666 1.00 43.14 C ATOM 1749 C LEU A 113 3.798 8.763 -7.406 1.00 4.34 C ATOM 1750 O LEU A 113 2.738 9.177 -6.930 1.00 45.33 O ATOM 1751 CB LEU A 113 4.116 8.526 -9.898 1.00 51.40 C ATOM 1752 CG LEU A 113 2.637 8.164 -10.131 1.00 31.32 C ATOM 1753 CD1 LEU A 113 1.787 9.418 -10.307 1.00 24.54 C ATOM 1754 CD2 LEU A 113 2.492 7.242 -11.341 1.00 22.24 C ATOM 0 H LEU A 113 6.418 9.056 -9.197 1.00 11.25 H new ATOM 0 HA LEU A 113 3.956 10.380 -8.803 1.00 43.14 H new ATOM 0 HB2 LEU A 113 4.486 9.044 -10.783 1.00 51.40 H new ATOM 0 HB3 LEU A 113 4.686 7.601 -9.808 1.00 51.40 H new ATOM 0 HG LEU A 113 2.278 7.634 -9.249 1.00 31.32 H new ATOM 0 HD11 LEU A 113 0.748 9.133 -10.470 1.00 24.54 H new ATOM 0 HD12 LEU A 113 1.858 10.034 -9.411 1.00 24.54 H new ATOM 0 HD13 LEU A 113 2.147 9.984 -11.166 1.00 24.54 H new ATOM 0 HD21 LEU A 113 1.440 6.998 -11.489 1.00 22.24 H new ATOM 0 HD22 LEU A 113 2.876 7.744 -12.229 1.00 22.24 H new ATOM 0 HD23 LEU A 113 3.056 6.325 -11.170 1.00 22.24 H new ATOM 1766 N LEU A 114 4.488 7.758 -6.875 1.00 54.23 N ATOM 1767 CA LEU A 114 4.058 7.072 -5.652 1.00 34.42 C ATOM 1768 C LEU A 114 4.032 8.037 -4.455 1.00 13.14 C ATOM 1769 O LEU A 114 3.109 8.014 -3.638 1.00 31.21 O ATOM 1770 CB LEU A 114 5.001 5.893 -5.373 1.00 10.50 C ATOM 1771 CG LEU A 114 5.116 4.873 -6.521 1.00 72.31 C ATOM 1772 CD1 LEU A 114 6.201 3.839 -6.230 1.00 54.41 C ATOM 1773 CD2 LEU A 114 3.769 4.193 -6.777 1.00 35.44 C ATOM 0 H LEU A 114 5.354 7.395 -7.273 1.00 54.23 H new ATOM 0 HA LEU A 114 3.044 6.699 -5.796 1.00 34.42 H new ATOM 0 HB2 LEU A 114 5.994 6.284 -5.153 1.00 10.50 H new ATOM 0 HB3 LEU A 114 4.657 5.375 -4.478 1.00 10.50 H new ATOM 0 HG LEU A 114 5.403 5.412 -7.424 1.00 72.31 H new ATOM 0 HD11 LEU A 114 6.260 3.131 -7.057 1.00 54.41 H new ATOM 0 HD12 LEU A 114 7.161 4.342 -6.113 1.00 54.41 H new ATOM 0 HD13 LEU A 114 5.957 3.304 -5.312 1.00 54.41 H new ATOM 0 HD21 LEU A 114 3.872 3.476 -7.592 1.00 35.44 H new ATOM 0 HD22 LEU A 114 3.447 3.673 -5.875 1.00 35.44 H new ATOM 0 HD23 LEU A 114 3.027 4.945 -7.047 1.00 35.44 H new ATOM 1785 N SER A 115 5.045 8.902 -4.374 1.00 64.10 N ATOM 1786 CA SER A 115 5.140 9.894 -3.291 1.00 15.34 C ATOM 1787 C SER A 115 4.089 10.997 -3.449 1.00 22.42 C ATOM 1788 O SER A 115 3.604 11.551 -2.456 1.00 15.14 O ATOM 1789 CB SER A 115 6.543 10.518 -3.235 1.00 40.15 C ATOM 1790 OG SER A 115 7.526 9.546 -2.915 1.00 75.05 O ATOM 0 H SER A 115 5.813 8.939 -5.044 1.00 64.10 H new ATOM 0 HA SER A 115 4.951 9.367 -2.356 1.00 15.34 H new ATOM 0 HB2 SER A 115 6.779 10.975 -4.196 1.00 40.15 H new ATOM 0 HB3 SER A 115 6.560 11.314 -2.491 1.00 40.15 H new ATOM 0 HG SER A 115 7.736 9.018 -3.713 1.00 75.05 H new ATOM 1796 N ARG A 116 3.745 11.325 -4.698 1.00 43.44 N ATOM 1797 CA ARG A 116 2.676 12.291 -4.976 1.00 14.20 C ATOM 1798 C ARG A 116 1.362 11.865 -4.307 1.00 52.24 C ATOM 1799 O ARG A 116 0.790 12.620 -3.525 1.00 34.42 O ATOM 1800 CB ARG A 116 2.463 12.457 -6.491 1.00 11.20 C ATOM 1801 CG ARG A 116 1.149 13.157 -6.846 1.00 52.52 C ATOM 1802 CD ARG A 116 0.974 13.355 -8.349 1.00 34.40 C ATOM 1803 NE ARG A 116 -0.430 13.572 -8.698 1.00 65.23 N ATOM 1804 CZ ARG A 116 -1.012 14.740 -8.775 1.00 34.11 C ATOM 1805 NH1 ARG A 116 -0.352 15.834 -8.564 1.00 5.32 N ATOM 1806 NH2 ARG A 116 -2.265 14.809 -9.079 1.00 11.21 N ATOM 0 H ARG A 116 4.189 10.938 -5.531 1.00 43.44 H new ATOM 0 HA ARG A 116 2.984 13.250 -4.560 1.00 14.20 H new ATOM 0 HB2 ARG A 116 3.294 13.027 -6.907 1.00 11.20 H new ATOM 0 HB3 ARG A 116 2.482 11.475 -6.963 1.00 11.20 H new ATOM 0 HG2 ARG A 116 0.314 12.571 -6.461 1.00 52.52 H new ATOM 0 HG3 ARG A 116 1.113 14.127 -6.349 1.00 52.52 H new ATOM 0 HD2 ARG A 116 1.568 14.208 -8.677 1.00 34.40 H new ATOM 0 HD3 ARG A 116 1.352 12.481 -8.879 1.00 34.40 H new ATOM 0 HE ARG A 116 -0.998 12.749 -8.897 1.00 65.23 H new ATOM 0 HH11 ARG A 116 0.641 15.794 -8.333 1.00 5.32 H new ATOM 0 HH12 ARG A 116 -0.825 16.735 -8.629 1.00 5.32 H new ATOM 0 HH21 ARG A 116 -2.794 13.955 -9.257 1.00 11.21 H new ATOM 0 HH22 ARG A 116 -2.726 15.717 -9.141 1.00 11.21 H new ATOM 1820 N ILE A 117 0.901 10.647 -4.609 1.00 30.33 N ATOM 1821 CA ILE A 117 -0.344 10.113 -4.030 1.00 32.42 C ATOM 1822 C ILE A 117 -0.343 10.249 -2.498 1.00 1.51 C ATOM 1823 O ILE A 117 -1.312 10.729 -1.898 1.00 52.43 O ATOM 1824 CB ILE A 117 -0.544 8.621 -4.409 1.00 51.35 C ATOM 1825 CG1 ILE A 117 -0.538 8.447 -5.938 1.00 41.02 C ATOM 1826 CG2 ILE A 117 -1.844 8.080 -3.806 1.00 42.43 C ATOM 1827 CD1 ILE A 117 -0.684 7.007 -6.394 1.00 43.32 C ATOM 0 H ILE A 117 1.370 10.009 -5.252 1.00 30.33 H new ATOM 0 HA ILE A 117 -1.166 10.698 -4.442 1.00 32.42 H new ATOM 0 HB ILE A 117 0.286 8.047 -3.997 1.00 51.35 H new ATOM 0 HG12 ILE A 117 -1.350 9.037 -6.364 1.00 41.02 H new ATOM 0 HG13 ILE A 117 0.393 8.851 -6.336 1.00 41.02 H new ATOM 0 HG21 ILE A 117 -1.966 7.033 -4.083 1.00 42.43 H new ATOM 0 HG22 ILE A 117 -1.805 8.166 -2.720 1.00 42.43 H new ATOM 0 HG23 ILE A 117 -2.688 8.656 -4.185 1.00 42.43 H new ATOM 0 HD11 ILE A 117 -0.671 6.967 -7.483 1.00 43.32 H new ATOM 0 HD12 ILE A 117 0.142 6.415 -5.999 1.00 43.32 H new ATOM 0 HD13 ILE A 117 -1.628 6.603 -6.028 1.00 43.32 H new ATOM 1839 N ILE A 118 0.770 9.852 -1.881 1.00 44.41 N ATOM 1840 CA ILE A 118 0.943 9.964 -0.430 1.00 41.42 C ATOM 1841 C ILE A 118 0.742 11.411 0.055 1.00 35.14 C ATOM 1842 O ILE A 118 -0.045 11.669 0.966 1.00 2.22 O ATOM 1843 CB ILE A 118 2.351 9.478 0.002 1.00 5.53 C ATOM 1844 CG1 ILE A 118 2.601 8.047 -0.506 1.00 53.55 C ATOM 1845 CG2 ILE A 118 2.509 9.551 1.524 1.00 64.23 C ATOM 1846 CD1 ILE A 118 3.997 7.525 -0.220 1.00 13.13 C ATOM 0 H ILE A 118 1.571 9.447 -2.366 1.00 44.41 H new ATOM 0 HA ILE A 118 0.183 9.330 0.027 1.00 41.42 H new ATOM 0 HB ILE A 118 3.095 10.137 -0.444 1.00 5.53 H new ATOM 0 HG12 ILE A 118 1.873 7.378 -0.048 1.00 53.55 H new ATOM 0 HG13 ILE A 118 2.427 8.019 -1.582 1.00 53.55 H new ATOM 0 HG21 ILE A 118 3.504 9.205 1.803 1.00 64.23 H new ATOM 0 HG22 ILE A 118 2.377 10.581 1.855 1.00 64.23 H new ATOM 0 HG23 ILE A 118 1.759 8.919 1.998 1.00 64.23 H new ATOM 0 HD11 ILE A 118 4.093 6.511 -0.609 1.00 13.13 H new ATOM 0 HD12 ILE A 118 4.732 8.170 -0.701 1.00 13.13 H new ATOM 0 HD13 ILE A 118 4.170 7.518 0.856 1.00 13.13 H new ATOM 1858 N HIS A 119 1.440 12.355 -0.574 1.00 70.35 N ATOM 1859 CA HIS A 119 1.392 13.766 -0.160 1.00 73.13 C ATOM 1860 C HIS A 119 0.159 14.512 -0.709 1.00 23.44 C ATOM 1861 O HIS A 119 -0.130 15.634 -0.289 1.00 54.13 O ATOM 1862 CB HIS A 119 2.672 14.485 -0.603 1.00 44.31 C ATOM 1863 CG HIS A 119 3.882 14.109 0.198 1.00 1.01 C ATOM 1864 ND1 HIS A 119 4.378 14.889 1.219 1.00 51.43 N ATOM 1865 CD2 HIS A 119 4.701 13.032 0.122 1.00 34.32 C ATOM 1866 CE1 HIS A 119 5.445 14.313 1.733 1.00 53.51 C ATOM 1867 NE2 HIS A 119 5.664 13.185 1.087 1.00 31.33 N ATOM 0 H HIS A 119 2.047 12.173 -1.373 1.00 70.35 H new ATOM 0 HA HIS A 119 1.312 13.774 0.927 1.00 73.13 H new ATOM 0 HB2 HIS A 119 2.859 14.262 -1.653 1.00 44.31 H new ATOM 0 HB3 HIS A 119 2.518 15.561 -0.529 1.00 44.31 H new ATOM 0 HD2 HIS A 119 4.612 12.207 -0.569 1.00 34.32 H new ATOM 0 HE1 HIS A 119 6.040 14.700 2.547 1.00 53.51 H new ATOM 0 HE2 HIS A 119 6.425 12.532 1.274 1.00 31.33 H new ATOM 1876 N ASP A 120 -0.558 13.898 -1.646 1.00 4.33 N ATOM 1877 CA ASP A 120 -1.723 14.539 -2.271 1.00 61.25 C ATOM 1878 C ASP A 120 -3.010 14.307 -1.455 1.00 71.34 C ATOM 1879 O ASP A 120 -3.717 15.259 -1.117 1.00 1.21 O ATOM 1880 CB ASP A 120 -1.894 14.026 -3.710 1.00 45.12 C ATOM 1881 CG ASP A 120 -2.931 14.811 -4.499 1.00 54.45 C ATOM 1882 OD1 ASP A 120 -2.605 15.910 -4.999 1.00 0.53 O ATOM 1883 OD2 ASP A 120 -4.078 14.337 -4.627 1.00 70.44 O ATOM 0 H ASP A 120 -0.358 12.960 -1.992 1.00 4.33 H new ATOM 0 HA ASP A 120 -1.544 15.614 -2.293 1.00 61.25 H new ATOM 0 HB2 ASP A 120 -0.935 14.080 -4.226 1.00 45.12 H new ATOM 0 HB3 ASP A 120 -2.183 12.975 -3.684 1.00 45.12 H new ATOM 1888 N ARG A 121 -3.312 13.045 -1.137 1.00 60.53 N ATOM 1889 CA ARG A 121 -4.558 12.708 -0.423 1.00 42.33 C ATOM 1890 C ARG A 121 -4.318 11.889 0.856 1.00 52.51 C ATOM 1891 O ARG A 121 -4.979 12.120 1.874 1.00 2.24 O ATOM 1892 CB ARG A 121 -5.501 11.950 -1.358 1.00 74.43 C ATOM 1893 CG ARG A 121 -5.989 12.794 -2.525 1.00 73.31 C ATOM 1894 CD ARG A 121 -6.881 12.009 -3.477 1.00 14.31 C ATOM 1895 NE ARG A 121 -7.468 12.872 -4.500 1.00 4.32 N ATOM 1896 CZ ARG A 121 -8.395 12.490 -5.333 1.00 52.25 C ATOM 1897 NH1 ARG A 121 -8.792 11.256 -5.355 1.00 43.21 N ATOM 1898 NH2 ARG A 121 -8.911 13.339 -6.161 1.00 20.42 N ATOM 0 H ARG A 121 -2.721 12.243 -1.358 1.00 60.53 H new ATOM 0 HA ARG A 121 -5.010 13.650 -0.112 1.00 42.33 H new ATOM 0 HB2 ARG A 121 -4.989 11.068 -1.744 1.00 74.43 H new ATOM 0 HB3 ARG A 121 -6.361 11.596 -0.789 1.00 74.43 H new ATOM 0 HG2 ARG A 121 -6.539 13.654 -2.143 1.00 73.31 H new ATOM 0 HG3 ARG A 121 -5.130 13.182 -3.073 1.00 73.31 H new ATOM 0 HD2 ARG A 121 -6.299 11.221 -3.955 1.00 14.31 H new ATOM 0 HD3 ARG A 121 -7.675 11.521 -2.913 1.00 14.31 H new ATOM 0 HE ARG A 121 -7.132 13.833 -4.566 1.00 4.32 H new ATOM 0 HH11 ARG A 121 -8.378 10.576 -4.717 1.00 43.21 H new ATOM 0 HH12 ARG A 121 -9.518 10.965 -6.010 1.00 43.21 H new ATOM 0 HH21 ARG A 121 -8.593 14.308 -6.162 1.00 20.42 H new ATOM 0 HH22 ARG A 121 -9.636 13.040 -6.813 1.00 20.42 H new ATOM 1912 N MET A 122 -3.383 10.939 0.811 1.00 50.23 N ATOM 1913 CA MET A 122 -3.090 10.093 1.978 1.00 31.44 C ATOM 1914 C MET A 122 -2.828 10.914 3.256 1.00 71.15 C ATOM 1915 O MET A 122 -3.458 10.672 4.286 1.00 64.23 O ATOM 1916 CB MET A 122 -1.898 9.168 1.702 1.00 23.11 C ATOM 1917 CG MET A 122 -2.224 7.990 0.796 1.00 63.43 C ATOM 1918 SD MET A 122 -0.848 6.833 0.653 1.00 1.33 S ATOM 1919 CE MET A 122 -1.651 5.454 -0.157 1.00 3.22 C ATOM 0 H MET A 122 -2.817 10.734 -0.012 1.00 50.23 H new ATOM 0 HA MET A 122 -3.982 9.491 2.150 1.00 31.44 H new ATOM 0 HB2 MET A 122 -1.097 9.751 1.248 1.00 23.11 H new ATOM 0 HB3 MET A 122 -1.518 8.789 2.651 1.00 23.11 H new ATOM 0 HG2 MET A 122 -3.097 7.466 1.185 1.00 63.43 H new ATOM 0 HG3 MET A 122 -2.489 8.359 -0.195 1.00 63.43 H new ATOM 0 HE1 MET A 122 -1.190 4.522 0.169 1.00 3.22 H new ATOM 0 HE2 MET A 122 -2.710 5.445 0.103 1.00 3.22 H new ATOM 0 HE3 MET A 122 -1.544 5.554 -1.237 1.00 3.22 H new ATOM 1929 N ILE A 123 -1.909 11.882 3.190 1.00 25.13 N ATOM 1930 CA ILE A 123 -1.576 12.702 4.368 1.00 32.31 C ATOM 1931 C ILE A 123 -2.837 13.338 5.008 1.00 53.43 C ATOM 1932 O ILE A 123 -3.093 13.121 6.196 1.00 2.22 O ATOM 1933 CB ILE A 123 -0.527 13.809 4.049 1.00 42.02 C ATOM 1934 CG1 ILE A 123 0.778 13.194 3.512 1.00 21.51 C ATOM 1935 CG2 ILE A 123 -0.249 14.671 5.284 1.00 43.23 C ATOM 1936 CD1 ILE A 123 1.460 12.240 4.472 1.00 23.34 C ATOM 0 H ILE A 123 -1.386 12.118 2.347 1.00 25.13 H new ATOM 0 HA ILE A 123 -1.131 12.015 5.088 1.00 32.31 H new ATOM 0 HB ILE A 123 -0.944 14.450 3.273 1.00 42.02 H new ATOM 0 HG12 ILE A 123 0.561 12.664 2.584 1.00 21.51 H new ATOM 0 HG13 ILE A 123 1.470 13.999 3.265 1.00 21.51 H new ATOM 0 HG21 ILE A 123 0.486 15.436 5.036 1.00 43.23 H new ATOM 0 HG22 ILE A 123 -1.173 15.148 5.610 1.00 43.23 H new ATOM 0 HG23 ILE A 123 0.138 14.043 6.086 1.00 43.23 H new ATOM 0 HD11 ILE A 123 2.371 11.853 4.015 1.00 23.34 H new ATOM 0 HD12 ILE A 123 1.712 12.768 5.392 1.00 23.34 H new ATOM 0 HD13 ILE A 123 0.789 11.412 4.701 1.00 23.34 H new ATOM 1948 N PRO A 124 -3.648 14.126 4.250 1.00 60.23 N ATOM 1949 CA PRO A 124 -4.916 14.685 4.768 1.00 11.13 C ATOM 1950 C PRO A 124 -5.801 13.638 5.477 1.00 10.33 C ATOM 1951 O PRO A 124 -6.306 13.881 6.577 1.00 63.40 O ATOM 1952 CB PRO A 124 -5.608 15.211 3.504 1.00 10.51 C ATOM 1953 CG PRO A 124 -4.486 15.575 2.592 1.00 1.32 C ATOM 1954 CD PRO A 124 -3.397 14.565 2.855 1.00 43.21 C ATOM 0 HA PRO A 124 -4.738 15.445 5.529 1.00 11.13 H new ATOM 0 HB2 PRO A 124 -6.252 14.453 3.059 1.00 10.51 H new ATOM 0 HB3 PRO A 124 -6.237 16.074 3.725 1.00 10.51 H new ATOM 0 HG2 PRO A 124 -4.804 15.545 1.550 1.00 1.32 H new ATOM 0 HG3 PRO A 124 -4.135 16.588 2.789 1.00 1.32 H new ATOM 0 HD2 PRO A 124 -3.450 13.729 2.157 1.00 43.21 H new ATOM 0 HD3 PRO A 124 -2.407 15.008 2.747 1.00 43.21 H new ATOM 1962 N HIS A 125 -5.983 12.472 4.849 1.00 5.32 N ATOM 1963 CA HIS A 125 -6.787 11.393 5.443 1.00 51.40 C ATOM 1964 C HIS A 125 -6.170 10.883 6.755 1.00 73.12 C ATOM 1965 O HIS A 125 -6.857 10.774 7.773 1.00 13.41 O ATOM 1966 CB HIS A 125 -6.954 10.228 4.459 1.00 20.11 C ATOM 1967 CG HIS A 125 -7.851 10.537 3.301 1.00 2.31 C ATOM 1968 ND1 HIS A 125 -9.183 10.820 3.486 1.00 11.00 N ATOM 1969 CD2 HIS A 125 -7.570 10.580 1.976 1.00 15.04 C ATOM 1970 CE1 HIS A 125 -9.678 11.025 2.280 1.00 64.32 C ATOM 1971 NE2 HIS A 125 -8.740 10.892 1.336 1.00 15.44 N ATOM 0 H HIS A 125 -5.588 12.249 3.935 1.00 5.32 H new ATOM 0 HA HIS A 125 -7.768 11.811 5.667 1.00 51.40 H new ATOM 0 HB2 HIS A 125 -5.973 9.942 4.080 1.00 20.11 H new ATOM 0 HB3 HIS A 125 -7.352 9.367 4.995 1.00 20.11 H new ATOM 0 HD2 HIS A 125 -6.610 10.403 1.514 1.00 15.04 H new ATOM 0 HE1 HIS A 125 -10.711 11.269 2.080 1.00 64.32 H new ATOM 0 HE2 HIS A 125 -8.871 11.002 0.330 1.00 15.44 H new ATOM 1979 N PHE A 126 -4.871 10.587 6.728 1.00 14.31 N ATOM 1980 CA PHE A 126 -4.163 10.081 7.910 1.00 44.53 C ATOM 1981 C PHE A 126 -4.274 11.048 9.100 1.00 61.10 C ATOM 1982 O PHE A 126 -4.493 10.625 10.234 1.00 30.12 O ATOM 1983 CB PHE A 126 -2.686 9.813 7.581 1.00 30.10 C ATOM 1984 CG PHE A 126 -2.467 8.739 6.536 1.00 4.22 C ATOM 1985 CD1 PHE A 126 -3.441 7.776 6.281 1.00 51.31 C ATOM 1986 CD2 PHE A 126 -1.286 8.691 5.809 1.00 15.12 C ATOM 1987 CE1 PHE A 126 -3.236 6.796 5.327 1.00 73.52 C ATOM 1988 CE2 PHE A 126 -1.078 7.711 4.857 1.00 11.00 C ATOM 1989 CZ PHE A 126 -2.054 6.763 4.616 1.00 2.31 C ATOM 0 H PHE A 126 -4.284 10.688 5.900 1.00 14.31 H new ATOM 0 HA PHE A 126 -4.640 9.144 8.198 1.00 44.53 H new ATOM 0 HB2 PHE A 126 -2.229 10.740 7.234 1.00 30.10 H new ATOM 0 HB3 PHE A 126 -2.168 9.525 8.496 1.00 30.10 H new ATOM 0 HD1 PHE A 126 -4.368 7.795 6.835 1.00 51.31 H new ATOM 0 HD2 PHE A 126 -0.519 9.430 5.990 1.00 15.12 H new ATOM 0 HE1 PHE A 126 -4.001 6.057 5.139 1.00 73.52 H new ATOM 0 HE2 PHE A 126 -0.152 7.686 4.301 1.00 11.00 H new ATOM 0 HZ PHE A 126 -1.892 5.997 3.872 1.00 2.31 H new ATOM 1999 N ARG A 127 -4.133 12.347 8.836 1.00 5.21 N ATOM 2000 CA ARG A 127 -4.263 13.366 9.890 1.00 22.14 C ATOM 2001 C ARG A 127 -5.703 13.432 10.423 1.00 64.45 C ATOM 2002 O ARG A 127 -5.933 13.752 11.587 1.00 52.42 O ATOM 2003 CB ARG A 127 -3.849 14.748 9.365 1.00 1.12 C ATOM 2004 CG ARG A 127 -2.459 14.780 8.737 1.00 51.44 C ATOM 2005 CD ARG A 127 -2.056 16.193 8.327 1.00 71.43 C ATOM 2006 NE ARG A 127 -1.736 17.030 9.483 1.00 42.24 N ATOM 2007 CZ ARG A 127 -1.784 18.336 9.486 1.00 44.21 C ATOM 2008 NH1 ARG A 127 -2.239 18.985 8.460 1.00 54.54 N ATOM 2009 NH2 ARG A 127 -1.409 18.993 10.537 1.00 43.42 N ATOM 0 H ARG A 127 -3.930 12.722 7.909 1.00 5.21 H new ATOM 0 HA ARG A 127 -3.599 13.079 10.705 1.00 22.14 H new ATOM 0 HB2 ARG A 127 -4.579 15.078 8.626 1.00 1.12 H new ATOM 0 HB3 ARG A 127 -3.882 15.463 10.187 1.00 1.12 H new ATOM 0 HG2 ARG A 127 -1.731 14.385 9.445 1.00 51.44 H new ATOM 0 HG3 ARG A 127 -2.440 14.128 7.863 1.00 51.44 H new ATOM 0 HD2 ARG A 127 -1.192 16.145 7.664 1.00 71.43 H new ATOM 0 HD3 ARG A 127 -2.867 16.651 7.761 1.00 71.43 H new ATOM 0 HE ARG A 127 -1.456 16.563 10.345 1.00 42.24 H new ATOM 0 HH11 ARG A 127 -2.565 18.476 7.638 1.00 54.54 H new ATOM 0 HH12 ARG A 127 -2.271 20.004 8.475 1.00 54.54 H new ATOM 0 HH21 ARG A 127 -1.077 18.491 11.361 1.00 43.42 H new ATOM 0 HH22 ARG A 127 -1.446 20.012 10.541 1.00 43.42 H new ATOM 2023 N SER A 128 -6.668 13.133 9.558 1.00 63.13 N ATOM 2024 CA SER A 128 -8.087 13.118 9.949 1.00 75.12 C ATOM 2025 C SER A 128 -8.445 11.837 10.719 1.00 4.42 C ATOM 2026 O SER A 128 -9.494 11.757 11.358 1.00 21.43 O ATOM 2027 CB SER A 128 -8.984 13.234 8.708 1.00 51.40 C ATOM 2028 OG SER A 128 -8.694 14.410 7.964 1.00 22.31 O ATOM 0 H SER A 128 -6.500 12.897 8.580 1.00 63.13 H new ATOM 0 HA SER A 128 -8.255 13.973 10.604 1.00 75.12 H new ATOM 0 HB2 SER A 128 -8.845 12.358 8.074 1.00 51.40 H new ATOM 0 HB3 SER A 128 -10.030 13.244 9.014 1.00 51.40 H new ATOM 0 HG SER A 128 -7.864 14.281 7.459 1.00 22.31 H new ATOM 2034 N GLY A 129 -7.560 10.842 10.666 1.00 64.33 N ATOM 2035 CA GLY A 129 -7.845 9.541 11.264 1.00 0.55 C ATOM 2036 C GLY A 129 -8.337 8.522 10.238 1.00 20.30 C ATOM 2037 O GLY A 129 -8.482 7.335 10.543 1.00 44.25 O ATOM 0 H GLY A 129 -6.646 10.912 10.218 1.00 64.33 H new ATOM 0 HA2 GLY A 129 -6.944 9.161 11.746 1.00 0.55 H new ATOM 0 HA3 GLY A 129 -8.598 9.660 12.043 1.00 0.55 H new ATOM 2041 N ASN A 130 -8.571 8.990 9.013 1.00 73.35 N ATOM 2042 CA ASN A 130 -9.068 8.140 7.924 1.00 52.25 C ATOM 2043 C ASN A 130 -7.937 7.310 7.292 1.00 40.04 C ATOM 2044 O ASN A 130 -7.695 7.386 6.086 1.00 62.53 O ATOM 2045 CB ASN A 130 -9.741 8.998 6.840 1.00 64.40 C ATOM 2046 CG ASN A 130 -10.926 9.790 7.359 1.00 33.14 C ATOM 2047 OD1 ASN A 130 -10.946 10.230 8.501 1.00 54.42 O ATOM 2048 ND2 ASN A 130 -11.928 9.980 6.523 1.00 4.34 N ATOM 0 H ASN A 130 -8.424 9.963 8.745 1.00 73.35 H new ATOM 0 HA ASN A 130 -9.798 7.454 8.353 1.00 52.25 H new ATOM 0 HB2 ASN A 130 -9.007 9.686 6.422 1.00 64.40 H new ATOM 0 HB3 ASN A 130 -10.071 8.352 6.027 1.00 64.40 H new ATOM 0 HD21 ASN A 130 -12.749 10.506 6.822 1.00 4.34 H new ATOM 0 HD22 ASN A 130 -11.882 9.601 5.577 1.00 4.34 H new ATOM 2055 N TYR A 131 -7.246 6.517 8.110 1.00 70.32 N ATOM 2056 CA TYR A 131 -6.159 5.662 7.617 1.00 40.12 C ATOM 2057 C TYR A 131 -6.674 4.638 6.593 1.00 52.05 C ATOM 2058 O TYR A 131 -6.003 4.341 5.601 1.00 71.24 O ATOM 2059 CB TYR A 131 -5.465 4.948 8.787 1.00 10.21 C ATOM 2060 CG TYR A 131 -4.704 5.891 9.706 1.00 31.03 C ATOM 2061 CD1 TYR A 131 -3.383 6.236 9.438 1.00 1.52 C ATOM 2062 CD2 TYR A 131 -5.308 6.443 10.832 1.00 14.31 C ATOM 2063 CE1 TYR A 131 -2.687 7.096 10.265 1.00 24.15 C ATOM 2064 CE2 TYR A 131 -4.615 7.304 11.664 1.00 12.32 C ATOM 2065 CZ TYR A 131 -3.307 7.630 11.375 1.00 3.11 C ATOM 2066 OH TYR A 131 -2.612 8.489 12.198 1.00 10.42 O ATOM 0 H TYR A 131 -7.416 6.446 9.113 1.00 70.32 H new ATOM 0 HA TYR A 131 -5.433 6.301 7.115 1.00 40.12 H new ATOM 0 HB2 TYR A 131 -6.213 4.410 9.370 1.00 10.21 H new ATOM 0 HB3 TYR A 131 -4.774 4.204 8.390 1.00 10.21 H new ATOM 0 HD1 TYR A 131 -2.893 5.824 8.568 1.00 1.52 H new ATOM 0 HD2 TYR A 131 -6.334 6.195 11.060 1.00 14.31 H new ATOM 0 HE1 TYR A 131 -1.661 7.349 10.043 1.00 24.15 H new ATOM 0 HE2 TYR A 131 -5.097 7.719 12.537 1.00 12.32 H new ATOM 0 HH TYR A 131 -3.191 8.777 12.934 1.00 10.42 H new ATOM 2076 N ALA A 132 -7.875 4.115 6.838 1.00 62.50 N ATOM 2077 CA ALA A 132 -8.525 3.189 5.908 1.00 12.25 C ATOM 2078 C ALA A 132 -8.855 3.875 4.574 1.00 31.22 C ATOM 2079 O ALA A 132 -8.530 3.366 3.500 1.00 24.14 O ATOM 2080 CB ALA A 132 -9.794 2.619 6.538 1.00 60.51 C ATOM 0 H ALA A 132 -8.420 4.317 7.676 1.00 62.50 H new ATOM 0 HA ALA A 132 -7.830 2.375 5.701 1.00 12.25 H new ATOM 0 HB1 ALA A 132 -10.270 1.932 5.839 1.00 60.51 H new ATOM 0 HB2 ALA A 132 -9.538 2.086 7.454 1.00 60.51 H new ATOM 0 HB3 ALA A 132 -10.481 3.432 6.772 1.00 60.51 H new ATOM 2086 N GLU A 133 -9.494 5.037 4.660 1.00 41.13 N ATOM 2087 CA GLU A 133 -9.884 5.814 3.476 1.00 22.22 C ATOM 2088 C GLU A 133 -8.658 6.273 2.668 1.00 51.22 C ATOM 2089 O GLU A 133 -8.704 6.332 1.436 1.00 55.11 O ATOM 2090 CB GLU A 133 -10.726 7.032 3.892 1.00 13.01 C ATOM 2091 CG GLU A 133 -12.119 6.694 4.431 1.00 21.01 C ATOM 2092 CD GLU A 133 -12.104 5.776 5.648 1.00 1.44 C ATOM 2093 OE1 GLU A 133 -11.327 6.044 6.591 1.00 2.42 O ATOM 2094 OE2 GLU A 133 -12.862 4.781 5.664 1.00 43.14 O ATOM 0 H GLU A 133 -9.758 5.470 5.545 1.00 41.13 H new ATOM 0 HA GLU A 133 -10.481 5.163 2.837 1.00 22.22 H new ATOM 0 HB2 GLU A 133 -10.182 7.589 4.655 1.00 13.01 H new ATOM 0 HB3 GLU A 133 -10.835 7.692 3.032 1.00 13.01 H new ATOM 0 HG2 GLU A 133 -12.631 7.620 4.693 1.00 21.01 H new ATOM 0 HG3 GLU A 133 -12.700 6.222 3.639 1.00 21.01 H new ATOM 2101 N GLY A 134 -7.571 6.595 3.370 1.00 1.11 N ATOM 2102 CA GLY A 134 -6.323 6.961 2.705 1.00 2.35 C ATOM 2103 C GLY A 134 -5.765 5.825 1.852 1.00 5.13 C ATOM 2104 O GLY A 134 -5.534 5.986 0.656 1.00 13.33 O ATOM 0 H GLY A 134 -7.530 6.610 4.389 1.00 1.11 H new ATOM 0 HA2 GLY A 134 -6.492 7.835 2.076 1.00 2.35 H new ATOM 0 HA3 GLY A 134 -5.585 7.246 3.455 1.00 2.35 H new ATOM 2108 N LEU A 135 -5.568 4.660 2.466 1.00 62.34 N ATOM 2109 CA LEU A 135 -5.114 3.478 1.727 1.00 12.23 C ATOM 2110 C LEU A 135 -6.099 3.122 0.600 1.00 0.12 C ATOM 2111 O LEU A 135 -5.697 2.724 -0.491 1.00 34.40 O ATOM 2112 CB LEU A 135 -4.952 2.278 2.670 1.00 35.13 C ATOM 2113 CG LEU A 135 -3.924 2.454 3.798 1.00 22.44 C ATOM 2114 CD1 LEU A 135 -3.863 1.201 4.665 1.00 12.31 C ATOM 2115 CD2 LEU A 135 -2.545 2.787 3.229 1.00 3.40 C ATOM 0 H LEU A 135 -5.713 4.507 3.464 1.00 62.34 H new ATOM 0 HA LEU A 135 -4.146 3.715 1.285 1.00 12.23 H new ATOM 0 HB2 LEU A 135 -5.921 2.057 3.117 1.00 35.13 H new ATOM 0 HB3 LEU A 135 -4.669 1.408 2.077 1.00 35.13 H new ATOM 0 HG LEU A 135 -4.241 3.289 4.423 1.00 22.44 H new ATOM 0 HD11 LEU A 135 -3.130 1.343 5.459 1.00 12.31 H new ATOM 0 HD12 LEU A 135 -4.843 1.015 5.105 1.00 12.31 H new ATOM 0 HD13 LEU A 135 -3.573 0.348 4.052 1.00 12.31 H new ATOM 0 HD21 LEU A 135 -1.834 2.907 4.046 1.00 3.40 H new ATOM 0 HD22 LEU A 135 -2.215 1.978 2.577 1.00 3.40 H new ATOM 0 HD23 LEU A 135 -2.601 3.714 2.658 1.00 3.40 H new ATOM 2127 N SER A 136 -7.394 3.280 0.880 1.00 4.54 N ATOM 2128 CA SER A 136 -8.446 2.984 -0.103 1.00 42.00 C ATOM 2129 C SER A 136 -8.310 3.840 -1.369 1.00 12.10 C ATOM 2130 O SER A 136 -8.374 3.318 -2.484 1.00 51.05 O ATOM 2131 CB SER A 136 -9.840 3.179 0.513 1.00 42.23 C ATOM 2132 OG SER A 136 -10.108 2.192 1.495 1.00 34.34 O ATOM 0 H SER A 136 -7.743 3.611 1.779 1.00 4.54 H new ATOM 0 HA SER A 136 -8.325 1.940 -0.391 1.00 42.00 H new ATOM 0 HB2 SER A 136 -9.907 4.170 0.962 1.00 42.23 H new ATOM 0 HB3 SER A 136 -10.597 3.132 -0.270 1.00 42.23 H new ATOM 0 HG SER A 136 -9.643 2.423 2.326 1.00 34.34 H new ATOM 2138 N GLU A 137 -8.118 5.148 -1.210 1.00 2.41 N ATOM 2139 CA GLU A 137 -7.988 6.037 -2.371 1.00 65.31 C ATOM 2140 C GLU A 137 -6.627 5.850 -3.066 1.00 43.22 C ATOM 2141 O GLU A 137 -6.535 5.914 -4.295 1.00 22.11 O ATOM 2142 CB GLU A 137 -8.233 7.510 -1.972 1.00 73.00 C ATOM 2143 CG GLU A 137 -7.230 8.112 -0.979 1.00 63.24 C ATOM 2144 CD GLU A 137 -5.919 8.545 -1.623 1.00 35.32 C ATOM 2145 OE1 GLU A 137 -5.958 9.055 -2.762 1.00 51.10 O ATOM 2146 OE2 GLU A 137 -4.856 8.375 -0.996 1.00 31.42 O ATOM 0 H GLU A 137 -8.049 5.614 -0.305 1.00 2.41 H new ATOM 0 HA GLU A 137 -8.758 5.764 -3.093 1.00 65.31 H new ATOM 0 HB2 GLU A 137 -8.227 8.117 -2.877 1.00 73.00 H new ATOM 0 HB3 GLU A 137 -9.232 7.588 -1.542 1.00 73.00 H new ATOM 0 HG2 GLU A 137 -7.687 8.973 -0.491 1.00 63.24 H new ATOM 0 HG3 GLU A 137 -7.018 7.379 -0.200 1.00 63.24 H new ATOM 2153 N GLY A 138 -5.580 5.601 -2.275 1.00 51.24 N ATOM 2154 CA GLY A 138 -4.259 5.316 -2.831 1.00 42.32 C ATOM 2155 C GLY A 138 -4.241 4.076 -3.724 1.00 0.50 C ATOM 2156 O GLY A 138 -3.734 4.115 -4.847 1.00 61.21 O ATOM 0 H GLY A 138 -5.622 5.591 -1.256 1.00 51.24 H new ATOM 0 HA2 GLY A 138 -3.920 6.177 -3.407 1.00 42.32 H new ATOM 0 HA3 GLY A 138 -3.549 5.179 -2.015 1.00 42.32 H new ATOM 2160 N VAL A 139 -4.796 2.968 -3.222 1.00 64.22 N ATOM 2161 CA VAL A 139 -4.932 1.733 -4.011 1.00 22.10 C ATOM 2162 C VAL A 139 -5.638 2.001 -5.346 1.00 71.34 C ATOM 2163 O VAL A 139 -5.183 1.565 -6.404 1.00 43.40 O ATOM 2164 CB VAL A 139 -5.726 0.654 -3.229 1.00 15.33 C ATOM 2165 CG1 VAL A 139 -6.077 -0.541 -4.122 1.00 51.10 C ATOM 2166 CG2 VAL A 139 -4.942 0.193 -2.000 1.00 54.14 C ATOM 0 H VAL A 139 -5.160 2.898 -2.272 1.00 64.22 H new ATOM 0 HA VAL A 139 -3.923 1.368 -4.206 1.00 22.10 H new ATOM 0 HB VAL A 139 -6.660 1.107 -2.897 1.00 15.33 H new ATOM 0 HG11 VAL A 139 -6.633 -1.278 -3.542 1.00 51.10 H new ATOM 0 HG12 VAL A 139 -6.687 -0.203 -4.959 1.00 51.10 H new ATOM 0 HG13 VAL A 139 -5.161 -0.994 -4.501 1.00 51.10 H new ATOM 0 HG21 VAL A 139 -5.516 -0.564 -1.465 1.00 54.14 H new ATOM 0 HG22 VAL A 139 -3.988 -0.230 -2.315 1.00 54.14 H new ATOM 0 HG23 VAL A 139 -4.762 1.044 -1.343 1.00 54.14 H new ATOM 2176 N LEU A 140 -6.755 2.724 -5.284 1.00 75.32 N ATOM 2177 CA LEU A 140 -7.516 3.064 -6.488 1.00 54.11 C ATOM 2178 C LEU A 140 -6.678 3.936 -7.435 1.00 32.44 C ATOM 2179 O LEU A 140 -6.657 3.712 -8.644 1.00 75.24 O ATOM 2180 CB LEU A 140 -8.817 3.788 -6.112 1.00 44.33 C ATOM 2181 CG LEU A 140 -9.745 4.135 -7.292 1.00 53.22 C ATOM 2182 CD1 LEU A 140 -10.193 2.871 -8.023 1.00 43.33 C ATOM 2183 CD2 LEU A 140 -10.953 4.935 -6.810 1.00 33.12 C ATOM 0 H LEU A 140 -7.153 3.085 -4.417 1.00 75.32 H new ATOM 0 HA LEU A 140 -7.766 2.138 -7.005 1.00 54.11 H new ATOM 0 HB2 LEU A 140 -9.369 3.165 -5.409 1.00 44.33 H new ATOM 0 HB3 LEU A 140 -8.562 4.710 -5.589 1.00 44.33 H new ATOM 0 HG LEU A 140 -9.183 4.751 -7.994 1.00 53.22 H new ATOM 0 HD11 LEU A 140 -10.847 3.142 -8.852 1.00 43.33 H new ATOM 0 HD12 LEU A 140 -9.320 2.344 -8.408 1.00 43.33 H new ATOM 0 HD13 LEU A 140 -10.732 2.223 -7.332 1.00 43.33 H new ATOM 0 HD21 LEU A 140 -11.596 5.170 -7.658 1.00 33.12 H new ATOM 0 HD22 LEU A 140 -11.513 4.347 -6.083 1.00 33.12 H new ATOM 0 HD23 LEU A 140 -10.614 5.860 -6.344 1.00 33.12 H new ATOM 2195 N ALA A 141 -5.968 4.912 -6.867 1.00 20.40 N ATOM 2196 CA ALA A 141 -5.129 5.829 -7.650 1.00 23.41 C ATOM 2197 C ALA A 141 -4.041 5.073 -8.431 1.00 53.02 C ATOM 2198 O ALA A 141 -3.847 5.298 -9.627 1.00 52.01 O ATOM 2199 CB ALA A 141 -4.500 6.877 -6.735 1.00 24.33 C ATOM 0 H ALA A 141 -5.956 5.091 -5.863 1.00 20.40 H new ATOM 0 HA ALA A 141 -5.768 6.329 -8.378 1.00 23.41 H new ATOM 0 HB1 ALA A 141 -3.880 7.551 -7.326 1.00 24.33 H new ATOM 0 HB2 ALA A 141 -5.286 7.447 -6.240 1.00 24.33 H new ATOM 0 HB3 ALA A 141 -3.884 6.382 -5.985 1.00 24.33 H new ATOM 2205 N VAL A 142 -3.341 4.168 -7.745 1.00 21.31 N ATOM 2206 CA VAL A 142 -2.324 3.328 -8.382 1.00 2.21 C ATOM 2207 C VAL A 142 -2.932 2.472 -9.505 1.00 14.43 C ATOM 2208 O VAL A 142 -2.395 2.407 -10.615 1.00 64.30 O ATOM 2209 CB VAL A 142 -1.633 2.405 -7.347 1.00 31.10 C ATOM 2210 CG1 VAL A 142 -0.620 1.485 -8.023 1.00 34.43 C ATOM 2211 CG2 VAL A 142 -0.967 3.232 -6.249 1.00 60.24 C ATOM 0 H VAL A 142 -3.460 3.997 -6.746 1.00 21.31 H new ATOM 0 HA VAL A 142 -1.580 3.998 -8.813 1.00 2.21 H new ATOM 0 HB VAL A 142 -2.398 1.779 -6.888 1.00 31.10 H new ATOM 0 HG11 VAL A 142 -0.150 0.848 -7.274 1.00 34.43 H new ATOM 0 HG12 VAL A 142 -1.128 0.863 -8.760 1.00 34.43 H new ATOM 0 HG13 VAL A 142 0.143 2.085 -8.519 1.00 34.43 H new ATOM 0 HG21 VAL A 142 -0.487 2.566 -5.532 1.00 60.24 H new ATOM 0 HG22 VAL A 142 -0.218 3.889 -6.692 1.00 60.24 H new ATOM 0 HG23 VAL A 142 -1.720 3.833 -5.739 1.00 60.24 H new ATOM 2221 N GLN A 143 -4.062 1.823 -9.212 1.00 1.23 N ATOM 2222 CA GLN A 143 -4.768 1.014 -10.215 1.00 44.42 C ATOM 2223 C GLN A 143 -5.125 1.845 -11.458 1.00 62.03 C ATOM 2224 O GLN A 143 -4.997 1.368 -12.582 1.00 74.30 O ATOM 2225 CB GLN A 143 -6.046 0.393 -9.627 1.00 24.34 C ATOM 2226 CG GLN A 143 -6.731 -0.590 -10.578 1.00 70.34 C ATOM 2227 CD GLN A 143 -8.044 -1.133 -10.038 1.00 70.22 C ATOM 2228 OE1 GLN A 143 -8.245 -1.226 -8.832 1.00 72.33 O ATOM 2229 NE2 GLN A 143 -8.934 -1.523 -10.930 1.00 63.04 N ATOM 0 H GLN A 143 -4.507 1.840 -8.295 1.00 1.23 H new ATOM 0 HA GLN A 143 -4.090 0.214 -10.513 1.00 44.42 H new ATOM 0 HB2 GLN A 143 -5.798 -0.122 -8.699 1.00 24.34 H new ATOM 0 HB3 GLN A 143 -6.745 1.189 -9.372 1.00 24.34 H new ATOM 0 HG2 GLN A 143 -6.915 -0.094 -11.531 1.00 70.34 H new ATOM 0 HG3 GLN A 143 -6.056 -1.422 -10.777 1.00 70.34 H new ATOM 0 HE21 GLN A 143 -8.733 -1.430 -11.926 1.00 63.04 H new ATOM 0 HE22 GLN A 143 -9.824 -1.917 -10.624 1.00 63.04 H new ATOM 2238 N GLN A 144 -5.558 3.091 -11.251 1.00 41.32 N ATOM 2239 CA GLN A 144 -5.923 3.986 -12.363 1.00 61.20 C ATOM 2240 C GLN A 144 -4.791 4.120 -13.397 1.00 25.22 C ATOM 2241 O GLN A 144 -5.045 4.237 -14.599 1.00 24.41 O ATOM 2242 CB GLN A 144 -6.308 5.376 -11.829 1.00 74.20 C ATOM 2243 CG GLN A 144 -7.586 5.391 -10.993 1.00 33.23 C ATOM 2244 CD GLN A 144 -8.854 5.144 -11.803 1.00 63.04 C ATOM 2245 OE1 GLN A 144 -8.845 4.466 -12.828 1.00 32.31 O ATOM 2246 NE2 GLN A 144 -9.958 5.701 -11.349 1.00 45.02 N ATOM 0 H GLN A 144 -5.666 3.507 -10.326 1.00 41.32 H new ATOM 0 HA GLN A 144 -6.780 3.538 -12.866 1.00 61.20 H new ATOM 0 HB2 GLN A 144 -5.487 5.761 -11.225 1.00 74.20 H new ATOM 0 HB3 GLN A 144 -6.430 6.056 -12.672 1.00 74.20 H new ATOM 0 HG2 GLN A 144 -7.509 4.631 -10.215 1.00 33.23 H new ATOM 0 HG3 GLN A 144 -7.669 6.355 -10.490 1.00 33.23 H new ATOM 0 HE21 GLN A 144 -9.934 6.258 -10.495 1.00 45.02 H new ATOM 0 HE22 GLN A 144 -10.837 5.575 -11.851 1.00 45.02 H new ATOM 2255 N VAL A 145 -3.544 4.102 -12.927 1.00 21.43 N ATOM 2256 CA VAL A 145 -2.381 4.165 -13.821 1.00 74.00 C ATOM 2257 C VAL A 145 -2.290 2.901 -14.700 1.00 51.32 C ATOM 2258 O VAL A 145 -2.024 2.981 -15.903 1.00 24.31 O ATOM 2259 CB VAL A 145 -1.062 4.341 -13.020 1.00 52.11 C ATOM 2260 CG1 VAL A 145 0.143 4.419 -13.958 1.00 5.04 C ATOM 2261 CG2 VAL A 145 -1.132 5.580 -12.123 1.00 3.41 C ATOM 0 H VAL A 145 -3.310 4.045 -11.936 1.00 21.43 H new ATOM 0 HA VAL A 145 -2.516 5.034 -14.465 1.00 74.00 H new ATOM 0 HB VAL A 145 -0.937 3.465 -12.383 1.00 52.11 H new ATOM 0 HG11 VAL A 145 1.053 4.542 -13.371 1.00 5.04 H new ATOM 0 HG12 VAL A 145 0.209 3.501 -14.542 1.00 5.04 H new ATOM 0 HG13 VAL A 145 0.027 5.269 -14.630 1.00 5.04 H new ATOM 0 HG21 VAL A 145 -0.197 5.683 -11.572 1.00 3.41 H new ATOM 0 HG22 VAL A 145 -1.290 6.466 -12.738 1.00 3.41 H new ATOM 0 HG23 VAL A 145 -1.958 5.474 -11.420 1.00 3.41 H new ATOM 2271 N LEU A 146 -2.535 1.739 -14.095 1.00 63.25 N ATOM 2272 CA LEU A 146 -2.516 0.459 -14.819 1.00 24.11 C ATOM 2273 C LEU A 146 -3.729 0.334 -15.764 1.00 62.45 C ATOM 2274 O LEU A 146 -3.596 -0.073 -16.921 1.00 41.52 O ATOM 2275 CB LEU A 146 -2.505 -0.708 -13.820 1.00 74.12 C ATOM 2276 CG LEU A 146 -1.354 -0.689 -12.798 1.00 14.24 C ATOM 2277 CD1 LEU A 146 -1.479 -1.858 -11.822 1.00 45.14 C ATOM 2278 CD2 LEU A 146 0.001 -0.723 -13.507 1.00 62.21 C ATOM 0 H LEU A 146 -2.750 1.653 -13.102 1.00 63.25 H new ATOM 0 HA LEU A 146 -1.611 0.425 -15.425 1.00 24.11 H new ATOM 0 HB2 LEU A 146 -3.450 -0.709 -13.278 1.00 74.12 H new ATOM 0 HB3 LEU A 146 -2.457 -1.643 -14.379 1.00 74.12 H new ATOM 0 HG LEU A 146 -1.419 0.239 -12.231 1.00 14.24 H new ATOM 0 HD11 LEU A 146 -0.656 -1.826 -11.108 1.00 45.14 H new ATOM 0 HD12 LEU A 146 -2.426 -1.786 -11.287 1.00 45.14 H new ATOM 0 HD13 LEU A 146 -1.445 -2.798 -12.373 1.00 45.14 H new ATOM 0 HD21 LEU A 146 0.800 -0.709 -12.766 1.00 62.21 H new ATOM 0 HD22 LEU A 146 0.076 -1.632 -14.104 1.00 62.21 H new ATOM 0 HD23 LEU A 146 0.094 0.147 -14.157 1.00 62.21 H new ATOM 2290 N ASP A 147 -4.908 0.694 -15.255 1.00 0.40 N ATOM 2291 CA ASP A 147 -6.149 0.680 -16.041 1.00 34.24 C ATOM 2292 C ASP A 147 -6.106 1.699 -17.194 1.00 23.24 C ATOM 2293 O ASP A 147 -6.821 1.556 -18.188 1.00 33.04 O ATOM 2294 CB ASP A 147 -7.355 0.948 -15.122 1.00 32.10 C ATOM 2295 CG ASP A 147 -8.125 -0.320 -14.797 1.00 11.33 C ATOM 2296 OD1 ASP A 147 -7.694 -1.085 -13.907 1.00 23.13 O ATOM 2297 OD2 ASP A 147 -9.160 -0.568 -15.449 1.00 3.32 O ATOM 0 H ASP A 147 -5.033 1.003 -14.291 1.00 0.40 H new ATOM 0 HA ASP A 147 -6.254 -0.308 -16.489 1.00 34.24 H new ATOM 0 HB2 ASP A 147 -7.008 1.407 -14.196 1.00 32.10 H new ATOM 0 HB3 ASP A 147 -8.023 1.663 -15.602 1.00 32.10 H new