USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 836 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 59 SER OG : rot 100:sc= -0.439 USER MOD Set 1.2: A 97 THR OG1 : rot 83:sc= 0.603 USER MOD Set 2.1: A 42 ASN : amide:sc= 0.376 K(o=1.1,f=-2.5) USER MOD Set 2.2: A 45 LYS NZ :NH3+ 169:sc= 0.748 (180deg=0.614) USER MOD Set 3.1: A 16 ASN :FLIP amide:sc= 1.09 F(o=-1.8,f=-0.71) USER MOD Set 3.2: A 18 ASN : amide:sc= 0.463 K(o=-0.71,f=-3) USER MOD Set 3.3: A 20 CYS SG : rot 47:sc= -0.592! USER MOD Set 3.4: A 27 TYR OH : rot -62:sc= 0 USER MOD Set 3.5: A 53 CYS SG : rot -38:sc= -3.28! USER MOD Set 3.6: A 56 SER OG : rot -104:sc= 0.0787 USER MOD Set 3.7: A 58 THR OG1 : rot -33:sc= 1.05 USER MOD Set 3.8: A 79 TYR OH : rot 3:sc= 0.485 USER MOD Set 4.1: A 15 GLN : amide:sc= -0.159 K(o=-0.023,f=-2.1) USER MOD Set 4.2: A 17 ASN : amide:sc= 0.136 X(o=-0.023,f=-0.28) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc=-0.00167 (180deg=-0.123) USER MOD Single : A 2 HIS : no HD1:sc= -0.165 X(o=-0.16,f=-0.54) USER MOD Single : A 3 HIS : no HD1:sc=-0.00985 X(o=-0.0099,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.279 X(o=-0.28,f=-0.28) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HE2:sc= 0.158 K(o=0.16,f=-1.1) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0321 USER MOD Single : A 28 THR OG1 : rot 51:sc= -0.235 USER MOD Single : A 29 TYR OH : rot -75:sc= 0.374 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -31:sc= 0.292 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.26 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.795 K(o=-0.8,f=-2.7!) USER MOD Single : A 39 LYS NZ :NH3+ -128:sc= 0.478 (180deg=0) USER MOD Single : A 47 TYR OH : rot 73:sc= 0.163 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -149:sc= 0.0673 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.0912 X(o=-0.091,f=-0.33) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 53:sc= 0.385 USER MOD Single : A 64 THR OG1 : rot 142:sc= -0.167 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -109:sc= 1.65 (180deg=-0.0537) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN :FLIP amide:sc= -0.0126 F(o=-1.6!,f=-0.013) USER MOD Single : A 88 ASN : amide:sc= 0.059 X(o=0.059,f=-0.0008) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.725 X(o=-0.73,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -35.449 -10.657 13.857 1.00 72.53 N ATOM 2 CA MET A 1 -34.173 -11.028 13.200 1.00 72.32 C ATOM 3 C MET A 1 -33.767 -9.924 12.203 1.00 51.21 C ATOM 4 O MET A 1 -34.386 -9.794 11.138 1.00 61.41 O ATOM 5 CB MET A 1 -34.308 -12.414 12.501 1.00 21.31 C ATOM 6 CG MET A 1 -34.671 -13.567 13.447 1.00 13.40 C ATOM 7 SD MET A 1 -34.753 -15.169 12.605 1.00 33.34 S ATOM 8 CE MET A 1 -35.236 -16.261 13.947 1.00 53.45 C ATOM 0 H1 MET A 1 -35.636 -11.310 14.645 1.00 72.53 H new ATOM 0 H2 MET A 1 -35.382 -9.685 14.221 1.00 72.53 H new ATOM 0 H3 MET A 1 -36.225 -10.716 13.167 1.00 72.53 H new ATOM 0 HA MET A 1 -33.387 -11.116 13.950 1.00 72.32 H new ATOM 0 HB2 MET A 1 -35.070 -12.343 11.725 1.00 21.31 H new ATOM 0 HB3 MET A 1 -33.367 -12.650 12.004 1.00 21.31 H new ATOM 0 HG2 MET A 1 -33.933 -13.620 14.247 1.00 13.40 H new ATOM 0 HG3 MET A 1 -35.633 -13.358 13.914 1.00 13.40 H new ATOM 0 HE1 MET A 1 -35.324 -17.281 13.572 1.00 53.45 H new ATOM 0 HE2 MET A 1 -34.482 -16.227 14.733 1.00 53.45 H new ATOM 0 HE3 MET A 1 -36.196 -15.939 14.351 1.00 53.45 H new ATOM 20 N HIS A 2 -32.735 -9.121 12.558 1.00 63.02 N ATOM 21 CA HIS A 2 -32.289 -7.974 11.735 1.00 60.23 C ATOM 22 C HIS A 2 -30.743 -7.857 11.734 1.00 73.12 C ATOM 23 O HIS A 2 -30.155 -6.850 12.150 1.00 21.13 O ATOM 24 CB HIS A 2 -32.993 -6.657 12.189 1.00 72.55 C ATOM 25 CG HIS A 2 -32.637 -6.162 13.578 1.00 21.43 C ATOM 26 ND1 HIS A 2 -31.781 -5.104 13.797 1.00 64.14 N ATOM 27 CD2 HIS A 2 -33.036 -6.569 14.808 1.00 20.33 C ATOM 28 CE1 HIS A 2 -31.669 -4.886 15.091 1.00 73.00 C ATOM 29 NE2 HIS A 2 -32.419 -5.756 15.729 1.00 43.54 N ATOM 0 H HIS A 2 -32.194 -9.249 13.413 1.00 63.02 H new ATOM 0 HA HIS A 2 -32.588 -8.150 10.702 1.00 60.23 H new ATOM 0 HB2 HIS A 2 -32.752 -5.873 11.472 1.00 72.55 H new ATOM 0 HB3 HIS A 2 -34.071 -6.810 12.144 1.00 72.55 H new ATOM 0 HD2 HIS A 2 -33.713 -7.382 15.024 1.00 20.33 H new ATOM 0 HE1 HIS A 2 -31.062 -4.120 15.551 1.00 73.00 H new ATOM 0 HE2 HIS A 2 -32.526 -5.818 16.741 1.00 43.54 H new ATOM 38 N HIS A 3 -30.084 -8.934 11.286 1.00 71.13 N ATOM 39 CA HIS A 3 -28.640 -8.932 10.980 1.00 21.24 C ATOM 40 C HIS A 3 -28.465 -8.832 9.454 1.00 43.23 C ATOM 41 O HIS A 3 -27.719 -7.970 8.965 1.00 55.54 O ATOM 42 CB HIS A 3 -27.941 -10.198 11.548 1.00 42.42 C ATOM 43 CG HIS A 3 -27.859 -10.240 13.057 1.00 22.35 C ATOM 44 ND1 HIS A 3 -27.943 -11.402 13.795 1.00 2.14 N ATOM 45 CD2 HIS A 3 -27.661 -9.248 13.963 1.00 64.23 C ATOM 46 CE1 HIS A 3 -27.806 -11.126 15.078 1.00 4.12 C ATOM 47 NE2 HIS A 3 -27.637 -9.829 15.206 1.00 24.42 N ATOM 0 H HIS A 3 -30.535 -9.835 11.124 1.00 71.13 H new ATOM 0 HA HIS A 3 -28.167 -8.074 11.458 1.00 21.24 H new ATOM 0 HB2 HIS A 3 -28.477 -11.081 11.200 1.00 42.42 H new ATOM 0 HB3 HIS A 3 -26.932 -10.256 11.139 1.00 42.42 H new ATOM 0 HD2 HIS A 3 -27.544 -8.197 13.746 1.00 64.23 H new ATOM 0 HE1 HIS A 3 -27.829 -11.843 15.885 1.00 4.12 H new ATOM 0 HE2 HIS A 3 -27.509 -9.333 16.088 1.00 24.42 H new ATOM 56 N HIS A 4 -29.149 -9.752 8.725 1.00 74.31 N ATOM 57 CA HIS A 4 -29.333 -9.689 7.252 1.00 51.34 C ATOM 58 C HIS A 4 -27.983 -9.644 6.499 1.00 10.11 C ATOM 59 O HIS A 4 -27.861 -9.042 5.430 1.00 53.53 O ATOM 60 CB HIS A 4 -30.293 -8.495 6.919 1.00 13.21 C ATOM 61 CG HIS A 4 -30.670 -8.300 5.464 1.00 65.31 C ATOM 62 ND1 HIS A 4 -31.546 -9.122 4.787 1.00 34.22 N ATOM 63 CD2 HIS A 4 -30.299 -7.348 4.567 1.00 50.05 C ATOM 64 CE1 HIS A 4 -31.696 -8.683 3.552 1.00 12.44 C ATOM 65 NE2 HIS A 4 -30.952 -7.611 3.394 1.00 73.35 N ATOM 0 H HIS A 4 -29.593 -10.567 9.149 1.00 74.31 H new ATOM 0 HA HIS A 4 -29.804 -10.605 6.894 1.00 51.34 H new ATOM 0 HB2 HIS A 4 -31.211 -8.628 7.492 1.00 13.21 H new ATOM 0 HB3 HIS A 4 -29.826 -7.576 7.274 1.00 13.21 H new ATOM 0 HD2 HIS A 4 -29.614 -6.533 4.748 1.00 50.05 H new ATOM 0 HE1 HIS A 4 -32.325 -9.130 2.797 1.00 12.44 H new ATOM 0 HE2 HIS A 4 -30.874 -7.064 2.536 1.00 73.35 H new ATOM 74 N HIS A 5 -26.980 -10.342 7.075 1.00 64.50 N ATOM 75 CA HIS A 5 -25.621 -10.463 6.516 1.00 73.20 C ATOM 76 C HIS A 5 -25.037 -9.077 6.185 1.00 13.10 C ATOM 77 O HIS A 5 -24.836 -8.728 5.013 1.00 5.52 O ATOM 78 CB HIS A 5 -25.581 -11.444 5.306 1.00 23.53 C ATOM 79 CG HIS A 5 -25.971 -12.863 5.661 1.00 43.22 C ATOM 80 ND1 HIS A 5 -25.069 -13.794 6.141 1.00 41.13 N ATOM 81 CD2 HIS A 5 -27.169 -13.505 5.616 1.00 72.41 C ATOM 82 CE1 HIS A 5 -25.690 -14.931 6.372 1.00 4.34 C ATOM 83 NE2 HIS A 5 -26.963 -14.789 6.062 1.00 62.54 N ATOM 0 H HIS A 5 -27.097 -10.844 7.955 1.00 64.50 H new ATOM 0 HA HIS A 5 -24.977 -10.902 7.278 1.00 73.20 H new ATOM 0 HB2 HIS A 5 -26.251 -11.076 4.529 1.00 23.53 H new ATOM 0 HB3 HIS A 5 -24.576 -11.447 4.885 1.00 23.53 H new ATOM 0 HD2 HIS A 5 -28.109 -13.084 5.290 1.00 72.41 H new ATOM 0 HE1 HIS A 5 -25.232 -15.832 6.753 1.00 4.34 H new ATOM 0 HE2 HIS A 5 -27.678 -15.513 6.140 1.00 62.54 H new ATOM 92 N HIS A 6 -24.798 -8.284 7.249 1.00 40.12 N ATOM 93 CA HIS A 6 -24.276 -6.899 7.152 1.00 42.03 C ATOM 94 C HIS A 6 -22.735 -6.907 6.988 1.00 54.43 C ATOM 95 O HIS A 6 -22.012 -6.121 7.618 1.00 52.44 O ATOM 96 CB HIS A 6 -24.742 -6.069 8.392 1.00 23.34 C ATOM 97 CG HIS A 6 -24.305 -6.606 9.743 1.00 11.42 C ATOM 98 ND1 HIS A 6 -25.051 -7.508 10.470 1.00 23.31 N ATOM 99 CD2 HIS A 6 -23.200 -6.354 10.495 1.00 11.21 C ATOM 100 CE1 HIS A 6 -24.426 -7.790 11.602 1.00 22.41 C ATOM 101 NE2 HIS A 6 -23.306 -7.103 11.638 1.00 2.41 N ATOM 0 H HIS A 6 -24.962 -8.586 8.209 1.00 40.12 H new ATOM 0 HA HIS A 6 -24.683 -6.417 6.263 1.00 42.03 H new ATOM 0 HB2 HIS A 6 -24.367 -5.051 8.287 1.00 23.34 H new ATOM 0 HB3 HIS A 6 -25.830 -6.010 8.379 1.00 23.34 H new ATOM 0 HD1 HIS A 6 -25.948 -7.899 10.180 1.00 23.31 H new ATOM 0 HD2 HIS A 6 -22.390 -5.688 10.239 1.00 11.21 H new ATOM 0 HE1 HIS A 6 -24.776 -8.469 12.366 1.00 22.41 H new ATOM 110 N HIS A 7 -22.255 -7.794 6.095 1.00 15.22 N ATOM 111 CA HIS A 7 -20.835 -8.028 5.841 1.00 13.15 C ATOM 112 C HIS A 7 -20.254 -6.833 5.074 1.00 34.52 C ATOM 113 O HIS A 7 -20.260 -6.801 3.833 1.00 44.24 O ATOM 114 CB HIS A 7 -20.659 -9.354 5.053 1.00 33.14 C ATOM 115 CG HIS A 7 -19.229 -9.711 4.718 1.00 61.14 C ATOM 116 ND1 HIS A 7 -18.608 -9.318 3.549 1.00 53.13 N ATOM 117 CD2 HIS A 7 -18.303 -10.426 5.400 1.00 32.13 C ATOM 118 CE1 HIS A 7 -17.373 -9.772 3.531 1.00 5.33 C ATOM 119 NE2 HIS A 7 -17.165 -10.446 4.638 1.00 42.15 N ATOM 0 H HIS A 7 -22.864 -8.377 5.521 1.00 15.22 H new ATOM 0 HA HIS A 7 -20.294 -8.124 6.782 1.00 13.15 H new ATOM 0 HB2 HIS A 7 -21.094 -10.166 5.636 1.00 33.14 H new ATOM 0 HB3 HIS A 7 -21.228 -9.287 4.126 1.00 33.14 H new ATOM 0 HD2 HIS A 7 -18.437 -10.893 6.365 1.00 32.13 H new ATOM 0 HE1 HIS A 7 -16.654 -9.617 2.741 1.00 5.33 H new ATOM 0 HE2 HIS A 7 -16.293 -10.911 4.891 1.00 42.15 H new ATOM 128 N ARG A 8 -19.829 -5.825 5.842 1.00 12.12 N ATOM 129 CA ARG A 8 -19.220 -4.605 5.316 1.00 3.40 C ATOM 130 C ARG A 8 -17.842 -4.922 4.715 1.00 71.12 C ATOM 131 O ARG A 8 -17.052 -5.663 5.318 1.00 2.25 O ATOM 132 CB ARG A 8 -19.114 -3.536 6.444 1.00 21.05 C ATOM 133 CG ARG A 8 -20.475 -3.031 6.981 1.00 24.32 C ATOM 134 CD ARG A 8 -21.291 -2.272 5.916 1.00 1.31 C ATOM 135 NE ARG A 8 -22.590 -1.793 6.428 1.00 10.41 N ATOM 136 CZ ARG A 8 -23.307 -0.780 5.898 1.00 51.33 C ATOM 137 NH1 ARG A 8 -22.871 -0.110 4.831 1.00 60.34 N ATOM 138 NH2 ARG A 8 -24.471 -0.446 6.437 1.00 44.41 N ATOM 0 H ARG A 8 -19.900 -5.836 6.859 1.00 12.12 H new ATOM 0 HA ARG A 8 -19.848 -4.199 4.523 1.00 3.40 H new ATOM 0 HB2 ARG A 8 -18.544 -3.956 7.273 1.00 21.05 H new ATOM 0 HB3 ARG A 8 -18.548 -2.684 6.068 1.00 21.05 H new ATOM 0 HG2 ARG A 8 -21.056 -3.880 7.341 1.00 24.32 H new ATOM 0 HG3 ARG A 8 -20.303 -2.377 7.836 1.00 24.32 H new ATOM 0 HD2 ARG A 8 -20.711 -1.422 5.557 1.00 1.31 H new ATOM 0 HD3 ARG A 8 -21.461 -2.926 5.060 1.00 1.31 H new ATOM 0 HE ARG A 8 -22.976 -2.264 7.246 1.00 10.41 H new ATOM 0 HH11 ARG A 8 -21.981 -0.360 4.400 1.00 60.34 H new ATOM 0 HH12 ARG A 8 -23.428 0.653 4.445 1.00 60.34 H new ATOM 0 HH21 ARG A 8 -24.821 -0.954 7.249 1.00 44.41 H new ATOM 0 HH22 ARG A 8 -25.016 0.319 6.040 1.00 44.41 H new ATOM 152 N SER A 9 -17.587 -4.381 3.524 1.00 4.22 N ATOM 153 CA SER A 9 -16.317 -4.539 2.815 1.00 73.50 C ATOM 154 C SER A 9 -16.252 -3.453 1.732 1.00 24.31 C ATOM 155 O SER A 9 -16.792 -3.623 0.629 1.00 11.45 O ATOM 156 CB SER A 9 -16.182 -5.970 2.217 1.00 53.24 C ATOM 157 OG SER A 9 -14.891 -6.196 1.668 1.00 51.32 O ATOM 0 H SER A 9 -18.266 -3.813 3.017 1.00 4.22 H new ATOM 0 HA SER A 9 -15.479 -4.421 3.501 1.00 73.50 H new ATOM 0 HB2 SER A 9 -16.380 -6.708 2.994 1.00 53.24 H new ATOM 0 HB3 SER A 9 -16.936 -6.112 1.443 1.00 53.24 H new ATOM 0 HG SER A 9 -14.845 -7.105 1.304 1.00 51.32 H new ATOM 163 N GLY A 10 -15.672 -2.299 2.102 1.00 10.31 N ATOM 164 CA GLY A 10 -15.487 -1.173 1.189 1.00 10.15 C ATOM 165 C GLY A 10 -14.312 -1.371 0.243 1.00 54.22 C ATOM 166 O GLY A 10 -13.479 -2.271 0.450 1.00 34.01 O ATOM 0 H GLY A 10 -15.320 -2.127 3.044 1.00 10.31 H new ATOM 0 HA2 GLY A 10 -16.397 -1.030 0.606 1.00 10.15 H new ATOM 0 HA3 GLY A 10 -15.333 -0.263 1.768 1.00 10.15 H new ATOM 170 N ASP A 11 -14.241 -0.505 -0.780 1.00 53.35 N ATOM 171 CA ASP A 11 -13.219 -0.558 -1.843 1.00 23.22 C ATOM 172 C ASP A 11 -11.829 -0.191 -1.305 1.00 11.10 C ATOM 173 O ASP A 11 -11.699 0.464 -0.263 1.00 23.41 O ATOM 174 CB ASP A 11 -13.612 0.382 -3.020 1.00 23.05 C ATOM 175 CG ASP A 11 -14.905 -0.060 -3.731 1.00 62.24 C ATOM 176 OD1 ASP A 11 -16.014 0.263 -3.237 1.00 63.03 O ATOM 177 OD2 ASP A 11 -14.825 -0.759 -4.766 1.00 2.50 O ATOM 0 H ASP A 11 -14.901 0.264 -0.896 1.00 53.35 H new ATOM 0 HA ASP A 11 -13.173 -1.583 -2.210 1.00 23.22 H new ATOM 0 HB2 ASP A 11 -13.739 1.396 -2.642 1.00 23.05 H new ATOM 0 HB3 ASP A 11 -12.797 0.411 -3.743 1.00 23.05 H new ATOM 182 N ILE A 12 -10.799 -0.606 -2.050 1.00 65.30 N ATOM 183 CA ILE A 12 -9.402 -0.448 -1.652 1.00 74.03 C ATOM 184 C ILE A 12 -8.971 1.017 -1.871 1.00 64.21 C ATOM 185 O ILE A 12 -8.668 1.426 -2.992 1.00 15.12 O ATOM 186 CB ILE A 12 -8.493 -1.416 -2.504 1.00 3.10 C ATOM 187 CG1 ILE A 12 -9.089 -2.856 -2.532 1.00 3.45 C ATOM 188 CG2 ILE A 12 -7.035 -1.426 -1.990 1.00 51.12 C ATOM 189 CD1 ILE A 12 -8.426 -3.795 -3.521 1.00 23.12 C ATOM 0 H ILE A 12 -10.916 -1.065 -2.954 1.00 65.30 H new ATOM 0 HA ILE A 12 -9.291 -0.700 -0.597 1.00 74.03 H new ATOM 0 HB ILE A 12 -8.475 -1.037 -3.526 1.00 3.10 H new ATOM 0 HG12 ILE A 12 -9.011 -3.287 -1.534 1.00 3.45 H new ATOM 0 HG13 ILE A 12 -10.151 -2.791 -2.769 1.00 3.45 H new ATOM 0 HG21 ILE A 12 -6.439 -2.104 -2.601 1.00 51.12 H new ATOM 0 HG22 ILE A 12 -6.620 -0.420 -2.053 1.00 51.12 H new ATOM 0 HG23 ILE A 12 -7.017 -1.761 -0.953 1.00 51.12 H new ATOM 0 HD11 ILE A 12 -8.905 -4.773 -3.471 1.00 23.12 H new ATOM 0 HD12 ILE A 12 -8.527 -3.392 -4.529 1.00 23.12 H new ATOM 0 HD13 ILE A 12 -7.369 -3.896 -3.275 1.00 23.12 H new ATOM 201 N GLN A 13 -8.959 1.795 -0.786 1.00 34.51 N ATOM 202 CA GLN A 13 -8.504 3.192 -0.804 1.00 54.43 C ATOM 203 C GLN A 13 -7.031 3.232 -0.382 1.00 4.21 C ATOM 204 O GLN A 13 -6.686 2.882 0.760 1.00 14.43 O ATOM 205 CB GLN A 13 -9.372 4.060 0.145 1.00 75.42 C ATOM 206 CG GLN A 13 -8.989 5.557 0.180 1.00 62.22 C ATOM 207 CD GLN A 13 -9.758 6.341 1.247 1.00 53.15 C ATOM 208 OE1 GLN A 13 -10.828 6.890 0.989 1.00 22.25 O ATOM 209 NE2 GLN A 13 -9.234 6.360 2.460 1.00 34.22 N ATOM 0 H GLN A 13 -9.265 1.475 0.133 1.00 34.51 H new ATOM 0 HA GLN A 13 -8.607 3.600 -1.809 1.00 54.43 H new ATOM 0 HB2 GLN A 13 -10.416 3.973 -0.157 1.00 75.42 H new ATOM 0 HB3 GLN A 13 -9.298 3.656 1.155 1.00 75.42 H new ATOM 0 HG2 GLN A 13 -7.919 5.649 0.368 1.00 62.22 H new ATOM 0 HG3 GLN A 13 -9.180 5.999 -0.798 1.00 62.22 H new ATOM 0 HE21 GLN A 13 -8.344 5.894 2.639 1.00 34.22 H new ATOM 0 HE22 GLN A 13 -9.719 6.841 3.218 1.00 34.22 H new ATOM 218 N VAL A 14 -6.179 3.608 -1.329 1.00 22.12 N ATOM 219 CA VAL A 14 -4.734 3.740 -1.138 1.00 53.54 C ATOM 220 C VAL A 14 -4.405 5.233 -0.974 1.00 32.13 C ATOM 221 O VAL A 14 -4.494 5.992 -1.940 1.00 54.24 O ATOM 222 CB VAL A 14 -3.954 3.149 -2.382 1.00 31.21 C ATOM 223 CG1 VAL A 14 -2.448 2.977 -2.074 1.00 1.11 C ATOM 224 CG2 VAL A 14 -4.596 1.828 -2.860 1.00 1.32 C ATOM 0 H VAL A 14 -6.479 3.836 -2.277 1.00 22.12 H new ATOM 0 HA VAL A 14 -4.427 3.185 -0.252 1.00 53.54 H new ATOM 0 HB VAL A 14 -4.033 3.866 -3.199 1.00 31.21 H new ATOM 0 HG11 VAL A 14 -1.942 2.569 -2.949 1.00 1.11 H new ATOM 0 HG12 VAL A 14 -2.015 3.945 -1.823 1.00 1.11 H new ATOM 0 HG13 VAL A 14 -2.324 2.295 -1.233 1.00 1.11 H new ATOM 0 HG21 VAL A 14 -4.041 1.443 -3.716 1.00 1.32 H new ATOM 0 HG22 VAL A 14 -4.570 1.097 -2.052 1.00 1.32 H new ATOM 0 HG23 VAL A 14 -5.631 2.011 -3.151 1.00 1.32 H new ATOM 234 N GLN A 15 -4.071 5.659 0.252 1.00 15.43 N ATOM 235 CA GLN A 15 -3.711 7.055 0.544 1.00 22.34 C ATOM 236 C GLN A 15 -2.256 7.084 1.026 1.00 50.12 C ATOM 237 O GLN A 15 -1.917 6.456 2.034 1.00 22.11 O ATOM 238 CB GLN A 15 -4.699 7.652 1.597 1.00 33.32 C ATOM 239 CG GLN A 15 -4.654 9.199 1.751 1.00 1.14 C ATOM 240 CD GLN A 15 -3.468 9.739 2.568 1.00 43.42 C ATOM 241 OE1 GLN A 15 -3.009 9.095 3.515 1.00 21.54 O ATOM 242 NE2 GLN A 15 -2.966 10.913 2.207 1.00 72.20 N ATOM 0 H GLN A 15 -4.043 5.048 1.068 1.00 15.43 H new ATOM 0 HA GLN A 15 -3.792 7.675 -0.349 1.00 22.34 H new ATOM 0 HB2 GLN A 15 -5.713 7.360 1.325 1.00 33.32 H new ATOM 0 HB3 GLN A 15 -4.487 7.201 2.566 1.00 33.32 H new ATOM 0 HG2 GLN A 15 -4.625 9.647 0.758 1.00 1.14 H new ATOM 0 HG3 GLN A 15 -5.580 9.529 2.222 1.00 1.14 H new ATOM 0 HE21 GLN A 15 -3.369 11.420 1.419 1.00 72.20 H new ATOM 0 HE22 GLN A 15 -2.177 11.309 2.718 1.00 72.20 H new ATOM 251 N ASN A 16 -1.399 7.797 0.284 1.00 70.31 N ATOM 252 CA ASN A 16 0.031 7.919 0.599 1.00 71.21 C ATOM 253 C ASN A 16 0.320 9.324 1.159 1.00 4.24 C ATOM 254 O ASN A 16 -0.329 10.303 0.772 1.00 25.41 O ATOM 255 CB ASN A 16 0.881 7.652 -0.669 1.00 43.44 C ATOM 256 CG ASN A 16 2.391 7.732 -0.404 1.00 75.34 C ATOM 257 OD1 ASN A 16 3.023 6.611 -0.109 1.00 11.11 O flip ATOM 258 ND2 ASN A 16 2.987 8.801 -0.475 1.00 73.50 N flip ATOM 0 H ASN A 16 -1.678 8.307 -0.554 1.00 70.31 H new ATOM 0 HA ASN A 16 0.298 7.178 1.353 1.00 71.21 H new ATOM 0 HB2 ASN A 16 0.638 6.665 -1.062 1.00 43.44 H new ATOM 0 HB3 ASN A 16 0.613 8.376 -1.439 1.00 43.44 H new ATOM 0 HD21 ASN A 16 2.478 9.655 -0.705 1.00 73.50 H new ATOM 0 HD22 ASN A 16 3.992 8.837 -0.305 1.00 73.50 H new ATOM 265 N ASN A 17 1.320 9.394 2.056 1.00 65.54 N ATOM 266 CA ASN A 17 1.723 10.632 2.751 1.00 40.35 C ATOM 267 C ASN A 17 3.232 10.825 2.546 1.00 53.45 C ATOM 268 O ASN A 17 4.032 10.045 3.078 1.00 12.00 O ATOM 269 CB ASN A 17 1.417 10.520 4.279 1.00 13.45 C ATOM 270 CG ASN A 17 0.008 10.013 4.564 1.00 33.30 C ATOM 271 OD1 ASN A 17 -0.932 10.791 4.720 1.00 53.34 O ATOM 272 ND2 ASN A 17 -0.150 8.698 4.604 1.00 53.20 N ATOM 0 H ASN A 17 1.878 8.583 2.323 1.00 65.54 H new ATOM 0 HA ASN A 17 1.168 11.479 2.348 1.00 40.35 H new ATOM 0 HB2 ASN A 17 2.140 9.848 4.741 1.00 13.45 H new ATOM 0 HB3 ASN A 17 1.547 11.497 4.744 1.00 13.45 H new ATOM 0 HD21 ASN A 17 -1.075 8.300 4.769 1.00 53.20 H new ATOM 0 HD22 ASN A 17 0.653 8.084 4.470 1.00 53.20 H new ATOM 279 N ASN A 18 3.612 11.838 1.761 1.00 61.42 N ATOM 280 CA ASN A 18 5.025 12.204 1.540 1.00 0.11 C ATOM 281 C ASN A 18 5.365 13.431 2.392 1.00 74.43 C ATOM 282 O ASN A 18 4.763 14.495 2.230 1.00 52.43 O ATOM 283 CB ASN A 18 5.299 12.437 0.014 1.00 72.35 C ATOM 284 CG ASN A 18 5.704 11.155 -0.734 1.00 34.24 C ATOM 285 OD1 ASN A 18 5.456 10.043 -0.272 1.00 32.43 O ATOM 286 ND2 ASN A 18 6.322 11.298 -1.900 1.00 51.44 N ATOM 0 H ASN A 18 2.952 12.431 1.258 1.00 61.42 H new ATOM 0 HA ASN A 18 5.677 11.388 1.851 1.00 0.11 H new ATOM 0 HB2 ASN A 18 4.404 12.852 -0.449 1.00 72.35 H new ATOM 0 HB3 ASN A 18 6.089 13.179 -0.097 1.00 72.35 H new ATOM 0 HD21 ASN A 18 6.602 10.475 -2.433 1.00 51.44 H new ATOM 0 HD22 ASN A 18 6.517 12.231 -2.263 1.00 51.44 H new ATOM 293 N THR A 19 6.315 13.252 3.329 1.00 32.04 N ATOM 294 CA THR A 19 6.685 14.276 4.311 1.00 62.43 C ATOM 295 C THR A 19 7.969 15.007 3.879 1.00 25.32 C ATOM 296 O THR A 19 9.056 14.411 3.862 1.00 74.04 O ATOM 297 CB THR A 19 6.887 13.623 5.721 1.00 61.13 C ATOM 298 OG1 THR A 19 5.715 12.860 6.062 1.00 31.40 O ATOM 299 CG2 THR A 19 7.149 14.675 6.818 1.00 20.14 C ATOM 0 H THR A 19 6.847 12.387 3.422 1.00 32.04 H new ATOM 0 HA THR A 19 5.876 15.005 4.369 1.00 62.43 H new ATOM 0 HB THR A 19 7.764 12.978 5.666 1.00 61.13 H new ATOM 0 HG1 THR A 19 5.838 12.448 6.943 1.00 31.40 H new ATOM 0 HG21 THR A 19 7.283 14.175 7.777 1.00 20.14 H new ATOM 0 HG22 THR A 19 8.050 15.239 6.574 1.00 20.14 H new ATOM 0 HG23 THR A 19 6.300 15.356 6.879 1.00 20.14 H new ATOM 307 N CYS A 20 7.820 16.288 3.523 1.00 74.12 N ATOM 308 CA CYS A 20 8.931 17.209 3.258 1.00 35.14 C ATOM 309 C CYS A 20 8.643 18.531 3.986 1.00 21.02 C ATOM 310 O CYS A 20 9.288 18.858 4.992 1.00 75.54 O ATOM 311 CB CYS A 20 9.113 17.438 1.731 1.00 34.13 C ATOM 312 SG CYS A 20 9.486 15.944 0.797 1.00 21.43 S ATOM 0 H CYS A 20 6.904 16.722 3.409 1.00 74.12 H new ATOM 0 HA CYS A 20 9.863 16.781 3.627 1.00 35.14 H new ATOM 0 HB2 CYS A 20 8.202 17.884 1.331 1.00 34.13 H new ATOM 0 HB3 CYS A 20 9.916 18.159 1.577 1.00 34.13 H new ATOM 0 HG CYS A 20 8.668 14.997 1.149 1.00 21.43 H new ATOM 318 N ASN A 21 7.617 19.258 3.498 1.00 65.33 N ATOM 319 CA ASN A 21 7.223 20.581 4.034 1.00 53.54 C ATOM 320 C ASN A 21 5.762 20.534 4.513 1.00 22.13 C ATOM 321 O ASN A 21 5.451 20.922 5.650 1.00 64.10 O ATOM 322 CB ASN A 21 7.396 21.682 2.950 1.00 55.02 C ATOM 323 CG ASN A 21 8.826 21.792 2.408 1.00 51.04 C ATOM 324 OD1 ASN A 21 9.197 21.102 1.455 1.00 11.51 O ATOM 325 ND2 ASN A 21 9.633 22.656 3.007 1.00 22.14 N ATOM 0 H ASN A 21 7.036 18.945 2.720 1.00 65.33 H new ATOM 0 HA ASN A 21 7.869 20.824 4.878 1.00 53.54 H new ATOM 0 HB2 ASN A 21 6.718 21.475 2.122 1.00 55.02 H new ATOM 0 HB3 ASN A 21 7.101 22.643 3.371 1.00 55.02 H new ATOM 0 HD21 ASN A 21 10.594 22.766 2.682 1.00 22.14 H new ATOM 0 HD22 ASN A 21 9.293 23.211 3.793 1.00 22.14 H new ATOM 332 N GLY A 22 4.875 20.025 3.635 1.00 71.53 N ATOM 333 CA GLY A 22 3.436 19.947 3.908 1.00 71.11 C ATOM 334 C GLY A 22 2.814 18.675 3.340 1.00 42.22 C ATOM 335 O GLY A 22 2.801 18.482 2.116 1.00 32.23 O ATOM 0 H GLY A 22 5.140 19.659 2.721 1.00 71.53 H new ATOM 0 HA2 GLY A 22 3.269 19.983 4.985 1.00 71.11 H new ATOM 0 HA3 GLY A 22 2.938 20.817 3.479 1.00 71.11 H new ATOM 339 N LYS A 23 2.315 17.802 4.235 1.00 12.05 N ATOM 340 CA LYS A 23 1.692 16.514 3.866 1.00 32.45 C ATOM 341 C LYS A 23 0.271 16.759 3.322 1.00 13.40 C ATOM 342 O LYS A 23 -0.626 17.169 4.078 1.00 2.22 O ATOM 343 CB LYS A 23 1.627 15.578 5.102 1.00 41.12 C ATOM 344 CG LYS A 23 2.974 15.346 5.821 1.00 62.24 C ATOM 345 CD LYS A 23 2.812 14.590 7.168 1.00 64.32 C ATOM 346 CE LYS A 23 1.889 15.332 8.157 1.00 21.20 C ATOM 347 NZ LYS A 23 1.764 14.630 9.466 1.00 15.14 N ATOM 0 H LYS A 23 2.332 17.970 5.241 1.00 12.05 H new ATOM 0 HA LYS A 23 2.296 16.038 3.094 1.00 32.45 H new ATOM 0 HB2 LYS A 23 0.918 15.996 5.817 1.00 41.12 H new ATOM 0 HB3 LYS A 23 1.230 14.613 4.787 1.00 41.12 H new ATOM 0 HG2 LYS A 23 3.637 14.778 5.168 1.00 62.24 H new ATOM 0 HG3 LYS A 23 3.454 16.307 6.004 1.00 62.24 H new ATOM 0 HD2 LYS A 23 2.409 13.596 6.976 1.00 64.32 H new ATOM 0 HD3 LYS A 23 3.793 14.454 7.624 1.00 64.32 H new ATOM 0 HE2 LYS A 23 2.276 16.337 8.324 1.00 21.20 H new ATOM 0 HE3 LYS A 23 0.900 15.441 7.712 1.00 21.20 H new ATOM 0 HZ1 LYS A 23 1.133 15.171 10.091 1.00 15.14 H new ATOM 0 HZ2 LYS A 23 1.369 13.680 9.314 1.00 15.14 H new ATOM 0 HZ3 LYS A 23 2.702 14.548 9.907 1.00 15.14 H new ATOM 361 N THR A 24 0.083 16.531 2.020 1.00 61.53 N ATOM 362 CA THR A 24 -1.214 16.709 1.336 1.00 54.33 C ATOM 363 C THR A 24 -1.848 15.325 1.069 1.00 72.34 C ATOM 364 O THR A 24 -1.451 14.337 1.694 1.00 42.20 O ATOM 365 CB THR A 24 -0.995 17.506 -0.001 1.00 4.13 C ATOM 366 OG1 THR A 24 -0.049 16.816 -0.842 1.00 51.20 O ATOM 367 CG2 THR A 24 -0.486 18.940 0.257 1.00 50.52 C ATOM 0 H THR A 24 0.829 16.215 1.400 1.00 61.53 H new ATOM 0 HA THR A 24 -1.896 17.281 1.965 1.00 54.33 H new ATOM 0 HB THR A 24 -1.963 17.571 -0.498 1.00 4.13 H new ATOM 0 HG1 THR A 24 0.079 17.320 -1.673 1.00 51.20 H new ATOM 0 HG21 THR A 24 -0.349 19.454 -0.694 1.00 50.52 H new ATOM 0 HG22 THR A 24 -1.215 19.482 0.860 1.00 50.52 H new ATOM 0 HG23 THR A 24 0.465 18.898 0.788 1.00 50.52 H new ATOM 375 N PHE A 25 -2.850 15.241 0.167 1.00 3.11 N ATOM 376 CA PHE A 25 -3.325 13.934 -0.348 1.00 4.32 C ATOM 377 C PHE A 25 -2.208 13.268 -1.191 1.00 55.23 C ATOM 378 O PHE A 25 -2.186 12.040 -1.336 1.00 64.44 O ATOM 379 CB PHE A 25 -4.629 14.092 -1.180 1.00 2.33 C ATOM 380 CG PHE A 25 -5.826 14.605 -0.374 1.00 41.22 C ATOM 381 CD1 PHE A 25 -6.566 13.739 0.428 1.00 14.51 C ATOM 382 CD2 PHE A 25 -6.199 15.953 -0.401 1.00 61.24 C ATOM 383 CE1 PHE A 25 -7.635 14.201 1.171 1.00 41.40 C ATOM 384 CE2 PHE A 25 -7.269 16.414 0.350 1.00 65.30 C ATOM 385 CZ PHE A 25 -7.987 15.536 1.135 1.00 0.13 C ATOM 0 H PHE A 25 -3.341 16.049 -0.216 1.00 3.11 H new ATOM 0 HA PHE A 25 -3.560 13.292 0.501 1.00 4.32 H new ATOM 0 HB2 PHE A 25 -4.440 14.778 -2.006 1.00 2.33 H new ATOM 0 HB3 PHE A 25 -4.886 13.128 -1.619 1.00 2.33 H new ATOM 0 HD1 PHE A 25 -6.300 12.693 0.469 1.00 14.51 H new ATOM 0 HD2 PHE A 25 -5.644 16.646 -1.017 1.00 61.24 H new ATOM 0 HE1 PHE A 25 -8.199 13.514 1.784 1.00 41.40 H new ATOM 0 HE2 PHE A 25 -7.540 17.459 0.321 1.00 65.30 H new ATOM 0 HZ PHE A 25 -8.822 15.892 1.720 1.00 0.13 H new ATOM 395 N ASP A 26 -1.301 14.126 -1.733 1.00 2.13 N ATOM 396 CA ASP A 26 -0.095 13.731 -2.486 1.00 70.03 C ATOM 397 C ASP A 26 -0.458 12.983 -3.777 1.00 52.15 C ATOM 398 O ASP A 26 -0.462 13.573 -4.863 1.00 13.24 O ATOM 399 CB ASP A 26 0.923 12.942 -1.589 1.00 73.54 C ATOM 400 CG ASP A 26 1.648 13.841 -0.562 1.00 54.43 C ATOM 401 OD1 ASP A 26 2.516 14.641 -0.980 1.00 3.25 O ATOM 402 OD2 ASP A 26 1.339 13.775 0.652 1.00 1.12 O ATOM 0 H ASP A 26 -1.399 15.138 -1.651 1.00 2.13 H new ATOM 0 HA ASP A 26 0.417 14.644 -2.791 1.00 70.03 H new ATOM 0 HB2 ASP A 26 0.394 12.150 -1.060 1.00 73.54 H new ATOM 0 HB3 ASP A 26 1.663 12.460 -2.228 1.00 73.54 H new ATOM 407 N TYR A 27 -0.760 11.687 -3.649 1.00 71.55 N ATOM 408 CA TYR A 27 -1.191 10.834 -4.761 1.00 40.13 C ATOM 409 C TYR A 27 -2.048 9.687 -4.199 1.00 75.34 C ATOM 410 O TYR A 27 -1.560 8.590 -3.919 1.00 5.14 O ATOM 411 CB TYR A 27 0.022 10.354 -5.634 1.00 33.21 C ATOM 412 CG TYR A 27 1.287 9.928 -4.859 1.00 44.21 C ATOM 413 CD1 TYR A 27 2.223 10.883 -4.429 1.00 31.14 C ATOM 414 CD2 TYR A 27 1.566 8.590 -4.584 1.00 13.55 C ATOM 415 CE1 TYR A 27 3.370 10.519 -3.758 1.00 12.24 C ATOM 416 CE2 TYR A 27 2.718 8.229 -3.916 1.00 74.01 C ATOM 417 CZ TYR A 27 3.612 9.192 -3.507 1.00 60.42 C ATOM 418 OH TYR A 27 4.757 8.816 -2.853 1.00 54.15 O ATOM 0 H TYR A 27 -0.711 11.194 -2.757 1.00 71.55 H new ATOM 0 HA TYR A 27 -1.811 11.406 -5.452 1.00 40.13 H new ATOM 0 HB2 TYR A 27 -0.306 9.513 -6.245 1.00 33.21 H new ATOM 0 HB3 TYR A 27 0.293 11.158 -6.318 1.00 33.21 H new ATOM 0 HD1 TYR A 27 2.039 11.928 -4.629 1.00 31.14 H new ATOM 0 HD2 TYR A 27 0.871 7.826 -4.898 1.00 13.55 H new ATOM 0 HE1 TYR A 27 4.073 11.272 -3.432 1.00 12.24 H new ATOM 0 HE2 TYR A 27 2.919 7.187 -3.713 1.00 74.01 H new ATOM 0 HH TYR A 27 5.538 9.076 -3.385 1.00 54.15 H new ATOM 428 N THR A 28 -3.330 10.015 -3.948 1.00 22.11 N ATOM 429 CA THR A 28 -4.336 9.065 -3.441 1.00 51.22 C ATOM 430 C THR A 28 -5.089 8.405 -4.620 1.00 22.23 C ATOM 431 O THR A 28 -5.499 9.088 -5.569 1.00 15.42 O ATOM 432 CB THR A 28 -5.354 9.795 -2.489 1.00 63.00 C ATOM 433 OG1 THR A 28 -4.643 10.464 -1.435 1.00 70.12 O ATOM 434 CG2 THR A 28 -6.379 8.829 -1.859 1.00 74.22 C ATOM 0 H THR A 28 -3.698 10.955 -4.093 1.00 22.11 H new ATOM 0 HA THR A 28 -3.823 8.290 -2.871 1.00 51.22 H new ATOM 0 HB THR A 28 -5.901 10.510 -3.104 1.00 63.00 H new ATOM 0 HG1 THR A 28 -3.936 11.022 -1.821 1.00 70.12 H new ATOM 0 HG21 THR A 28 -7.056 9.388 -1.212 1.00 74.22 H new ATOM 0 HG22 THR A 28 -6.951 8.341 -2.648 1.00 74.22 H new ATOM 0 HG23 THR A 28 -5.855 8.075 -1.271 1.00 74.22 H new ATOM 442 N TYR A 29 -5.239 7.074 -4.563 1.00 51.41 N ATOM 443 CA TYR A 29 -5.939 6.272 -5.586 1.00 15.14 C ATOM 444 C TYR A 29 -6.993 5.391 -4.890 1.00 21.44 C ATOM 445 O TYR A 29 -6.862 5.092 -3.701 1.00 44.42 O ATOM 446 CB TYR A 29 -4.919 5.389 -6.364 1.00 0.53 C ATOM 447 CG TYR A 29 -3.703 6.167 -6.905 1.00 70.31 C ATOM 448 CD1 TYR A 29 -3.801 6.960 -8.049 1.00 53.51 C ATOM 449 CD2 TYR A 29 -2.460 6.127 -6.252 1.00 63.13 C ATOM 450 CE1 TYR A 29 -2.714 7.679 -8.519 1.00 12.33 C ATOM 451 CE2 TYR A 29 -1.374 6.840 -6.727 1.00 42.23 C ATOM 452 CZ TYR A 29 -1.508 7.617 -7.856 1.00 10.20 C ATOM 453 OH TYR A 29 -0.429 8.337 -8.330 1.00 53.10 O ATOM 0 H TYR A 29 -4.873 6.512 -3.794 1.00 51.41 H new ATOM 0 HA TYR A 29 -6.431 6.932 -6.300 1.00 15.14 H new ATOM 0 HB2 TYR A 29 -4.566 4.594 -5.707 1.00 0.53 H new ATOM 0 HB3 TYR A 29 -5.431 4.909 -7.198 1.00 0.53 H new ATOM 0 HD1 TYR A 29 -4.741 7.014 -8.578 1.00 53.51 H new ATOM 0 HD2 TYR A 29 -2.350 5.527 -5.361 1.00 63.13 H new ATOM 0 HE1 TYR A 29 -2.812 8.288 -9.405 1.00 12.33 H new ATOM 0 HE2 TYR A 29 -0.425 6.788 -6.214 1.00 42.23 H new ATOM 0 HH TYR A 29 -0.065 7.896 -9.126 1.00 53.10 H new ATOM 463 N THR A 30 -8.054 5.020 -5.613 1.00 61.11 N ATOM 464 CA THR A 30 -9.054 4.042 -5.142 1.00 45.25 C ATOM 465 C THR A 30 -9.285 2.992 -6.241 1.00 12.53 C ATOM 466 O THR A 30 -9.425 3.342 -7.422 1.00 53.44 O ATOM 467 CB THR A 30 -10.405 4.738 -4.745 1.00 55.11 C ATOM 468 OG1 THR A 30 -10.147 5.769 -3.769 1.00 3.42 O ATOM 469 CG2 THR A 30 -11.430 3.731 -4.163 1.00 65.10 C ATOM 0 H THR A 30 -8.249 5.387 -6.544 1.00 61.11 H new ATOM 0 HA THR A 30 -8.672 3.556 -4.244 1.00 45.25 H new ATOM 0 HB THR A 30 -10.833 5.167 -5.651 1.00 55.11 H new ATOM 0 HG1 THR A 30 -10.990 6.204 -3.522 1.00 3.42 H new ATOM 0 HG21 THR A 30 -12.349 4.257 -3.903 1.00 65.10 H new ATOM 0 HG22 THR A 30 -11.649 2.964 -4.906 1.00 65.10 H new ATOM 0 HG23 THR A 30 -11.014 3.263 -3.271 1.00 65.10 H new ATOM 477 N VAL A 31 -9.295 1.707 -5.844 1.00 71.42 N ATOM 478 CA VAL A 31 -9.531 0.563 -6.740 1.00 2.22 C ATOM 479 C VAL A 31 -10.481 -0.444 -6.071 1.00 14.12 C ATOM 480 O VAL A 31 -10.815 -0.310 -4.889 1.00 71.43 O ATOM 481 CB VAL A 31 -8.187 -0.146 -7.166 1.00 75.04 C ATOM 482 CG1 VAL A 31 -7.335 0.773 -8.074 1.00 15.43 C ATOM 483 CG2 VAL A 31 -7.376 -0.626 -5.939 1.00 14.20 C ATOM 0 H VAL A 31 -9.137 1.431 -4.875 1.00 71.42 H new ATOM 0 HA VAL A 31 -9.994 0.947 -7.649 1.00 2.22 H new ATOM 0 HB VAL A 31 -8.457 -1.032 -7.742 1.00 75.04 H new ATOM 0 HG11 VAL A 31 -6.415 0.258 -8.352 1.00 15.43 H new ATOM 0 HG12 VAL A 31 -7.899 1.020 -8.974 1.00 15.43 H new ATOM 0 HG13 VAL A 31 -7.090 1.689 -7.537 1.00 15.43 H new ATOM 0 HG21 VAL A 31 -6.458 -1.109 -6.276 1.00 14.20 H new ATOM 0 HG22 VAL A 31 -7.127 0.229 -5.310 1.00 14.20 H new ATOM 0 HG23 VAL A 31 -7.971 -1.337 -5.365 1.00 14.20 H new ATOM 493 N THR A 32 -10.905 -1.455 -6.839 1.00 30.43 N ATOM 494 CA THR A 32 -11.918 -2.437 -6.402 1.00 43.32 C ATOM 495 C THR A 32 -11.342 -3.875 -6.357 1.00 24.42 C ATOM 496 O THR A 32 -12.022 -4.795 -5.892 1.00 61.22 O ATOM 497 CB THR A 32 -13.174 -2.357 -7.354 1.00 15.40 C ATOM 498 OG1 THR A 32 -14.222 -3.232 -6.896 1.00 44.13 O ATOM 499 CG2 THR A 32 -12.818 -2.695 -8.814 1.00 64.53 C ATOM 0 H THR A 32 -10.558 -1.620 -7.784 1.00 30.43 H new ATOM 0 HA THR A 32 -12.224 -2.189 -5.386 1.00 43.32 H new ATOM 0 HB THR A 32 -13.526 -1.326 -7.323 1.00 15.40 H new ATOM 0 HG1 THR A 32 -13.827 -4.009 -6.449 1.00 44.13 H new ATOM 0 HG21 THR A 32 -13.713 -2.627 -9.432 1.00 64.53 H new ATOM 0 HG22 THR A 32 -12.071 -1.990 -9.179 1.00 64.53 H new ATOM 0 HG23 THR A 32 -12.418 -3.707 -8.866 1.00 64.53 H new ATOM 507 N THR A 33 -10.078 -4.067 -6.809 1.00 14.33 N ATOM 508 CA THR A 33 -9.494 -5.421 -7.003 1.00 10.24 C ATOM 509 C THR A 33 -8.000 -5.453 -6.610 1.00 4.53 C ATOM 510 O THR A 33 -7.326 -4.418 -6.648 1.00 14.41 O ATOM 511 CB THR A 33 -9.666 -5.874 -8.496 1.00 4.35 C ATOM 512 OG1 THR A 33 -11.021 -5.661 -8.909 1.00 34.25 O ATOM 513 CG2 THR A 33 -9.311 -7.353 -8.718 1.00 62.53 C ATOM 0 H THR A 33 -9.443 -3.304 -7.046 1.00 14.33 H new ATOM 0 HA THR A 33 -10.028 -6.112 -6.352 1.00 10.24 H new ATOM 0 HB THR A 33 -8.975 -5.274 -9.088 1.00 4.35 H new ATOM 0 HG1 THR A 33 -11.127 -5.943 -9.842 1.00 34.25 H new ATOM 0 HG21 THR A 33 -9.450 -7.607 -9.769 1.00 62.53 H new ATOM 0 HG22 THR A 33 -8.272 -7.524 -8.438 1.00 62.53 H new ATOM 0 HG23 THR A 33 -9.960 -7.979 -8.105 1.00 62.53 H new ATOM 521 N GLU A 34 -7.514 -6.659 -6.228 1.00 73.10 N ATOM 522 CA GLU A 34 -6.093 -6.941 -5.898 1.00 30.42 C ATOM 523 C GLU A 34 -5.173 -6.552 -7.066 1.00 10.24 C ATOM 524 O GLU A 34 -4.182 -5.853 -6.881 1.00 72.33 O ATOM 525 CB GLU A 34 -5.878 -8.457 -5.595 1.00 2.44 C ATOM 526 CG GLU A 34 -6.546 -9.004 -4.313 1.00 50.14 C ATOM 527 CD GLU A 34 -8.079 -8.957 -4.296 1.00 50.25 C ATOM 528 OE1 GLU A 34 -8.708 -9.339 -5.316 1.00 45.43 O ATOM 529 OE2 GLU A 34 -8.672 -8.572 -3.258 1.00 43.32 O ATOM 0 H GLU A 34 -8.111 -7.481 -6.138 1.00 73.10 H new ATOM 0 HA GLU A 34 -5.847 -6.350 -5.016 1.00 30.42 H new ATOM 0 HB2 GLU A 34 -6.248 -9.031 -6.444 1.00 2.44 H new ATOM 0 HB3 GLU A 34 -4.806 -8.643 -5.528 1.00 2.44 H new ATOM 0 HG2 GLU A 34 -6.230 -10.038 -4.172 1.00 50.14 H new ATOM 0 HG3 GLU A 34 -6.173 -8.438 -3.460 1.00 50.14 H new ATOM 536 N SER A 35 -5.548 -7.024 -8.262 1.00 20.52 N ATOM 537 CA SER A 35 -4.830 -6.762 -9.521 1.00 64.33 C ATOM 538 C SER A 35 -4.718 -5.254 -9.807 1.00 42.04 C ATOM 539 O SER A 35 -3.672 -4.763 -10.244 1.00 40.00 O ATOM 540 CB SER A 35 -5.557 -7.494 -10.667 1.00 74.31 C ATOM 541 OG SER A 35 -5.631 -8.889 -10.406 1.00 73.53 O ATOM 0 H SER A 35 -6.374 -7.610 -8.386 1.00 20.52 H new ATOM 0 HA SER A 35 -3.811 -7.138 -9.436 1.00 64.33 H new ATOM 0 HB2 SER A 35 -6.561 -7.087 -10.785 1.00 74.31 H new ATOM 0 HB3 SER A 35 -5.031 -7.322 -11.606 1.00 74.31 H new ATOM 0 HG SER A 35 -6.097 -9.336 -11.143 1.00 73.53 H new ATOM 547 N GLU A 36 -5.800 -4.530 -9.491 1.00 50.33 N ATOM 548 CA GLU A 36 -5.874 -3.077 -9.685 1.00 23.33 C ATOM 549 C GLU A 36 -5.094 -2.325 -8.592 1.00 30.42 C ATOM 550 O GLU A 36 -4.681 -1.187 -8.799 1.00 63.33 O ATOM 551 CB GLU A 36 -7.356 -2.636 -9.760 1.00 25.20 C ATOM 552 CG GLU A 36 -8.176 -3.368 -10.847 1.00 21.44 C ATOM 553 CD GLU A 36 -7.569 -3.263 -12.264 1.00 31.02 C ATOM 554 OE1 GLU A 36 -7.776 -2.227 -12.933 1.00 21.42 O ATOM 555 OE2 GLU A 36 -6.882 -4.212 -12.712 1.00 45.23 O ATOM 0 H GLU A 36 -6.648 -4.935 -9.094 1.00 50.33 H new ATOM 0 HA GLU A 36 -5.397 -2.819 -10.631 1.00 23.33 H new ATOM 0 HB2 GLU A 36 -7.824 -2.806 -8.790 1.00 25.20 H new ATOM 0 HB3 GLU A 36 -7.396 -1.563 -9.950 1.00 25.20 H new ATOM 0 HG2 GLU A 36 -8.263 -4.420 -10.576 1.00 21.44 H new ATOM 0 HG3 GLU A 36 -9.186 -2.959 -10.864 1.00 21.44 H new ATOM 562 N LEU A 37 -4.890 -2.977 -7.435 1.00 23.22 N ATOM 563 CA LEU A 37 -4.020 -2.457 -6.363 1.00 74.42 C ATOM 564 C LEU A 37 -2.538 -2.558 -6.783 1.00 62.22 C ATOM 565 O LEU A 37 -1.768 -1.618 -6.590 1.00 24.05 O ATOM 566 CB LEU A 37 -4.243 -3.235 -5.036 1.00 20.31 C ATOM 567 CG LEU A 37 -3.273 -2.859 -3.869 1.00 12.10 C ATOM 568 CD1 LEU A 37 -3.459 -1.401 -3.421 1.00 3.33 C ATOM 569 CD2 LEU A 37 -3.394 -3.822 -2.678 1.00 0.25 C ATOM 0 H LEU A 37 -5.321 -3.875 -7.216 1.00 23.22 H new ATOM 0 HA LEU A 37 -4.278 -1.411 -6.198 1.00 74.42 H new ATOM 0 HB2 LEU A 37 -5.267 -3.067 -4.703 1.00 20.31 H new ATOM 0 HB3 LEU A 37 -4.145 -4.301 -5.239 1.00 20.31 H new ATOM 0 HG LEU A 37 -2.262 -2.960 -4.264 1.00 12.10 H new ATOM 0 HD11 LEU A 37 -2.767 -1.179 -2.609 1.00 3.33 H new ATOM 0 HD12 LEU A 37 -3.260 -0.734 -4.260 1.00 3.33 H new ATOM 0 HD13 LEU A 37 -4.482 -1.254 -3.076 1.00 3.33 H new ATOM 0 HD21 LEU A 37 -2.701 -3.519 -1.893 1.00 0.25 H new ATOM 0 HD22 LEU A 37 -4.413 -3.796 -2.292 1.00 0.25 H new ATOM 0 HD23 LEU A 37 -3.154 -4.834 -3.003 1.00 0.25 H new ATOM 581 N GLN A 38 -2.171 -3.711 -7.369 1.00 13.11 N ATOM 582 CA GLN A 38 -0.780 -4.038 -7.753 1.00 65.22 C ATOM 583 C GLN A 38 -0.233 -3.028 -8.781 1.00 24.22 C ATOM 584 O GLN A 38 0.926 -2.597 -8.682 1.00 64.32 O ATOM 585 CB GLN A 38 -0.723 -5.475 -8.338 1.00 71.13 C ATOM 586 CG GLN A 38 -1.189 -6.586 -7.372 1.00 41.32 C ATOM 587 CD GLN A 38 -1.408 -7.940 -8.060 1.00 22.24 C ATOM 588 OE1 GLN A 38 -1.720 -8.011 -9.251 1.00 75.25 O ATOM 589 NE2 GLN A 38 -1.296 -9.014 -7.308 1.00 41.23 N ATOM 0 H GLN A 38 -2.836 -4.452 -7.593 1.00 13.11 H new ATOM 0 HA GLN A 38 -0.156 -3.982 -6.861 1.00 65.22 H new ATOM 0 HB2 GLN A 38 -1.340 -5.511 -9.236 1.00 71.13 H new ATOM 0 HB3 GLN A 38 0.301 -5.687 -8.646 1.00 71.13 H new ATOM 0 HG2 GLN A 38 -0.448 -6.704 -6.582 1.00 41.32 H new ATOM 0 HG3 GLN A 38 -2.118 -6.275 -6.894 1.00 41.32 H new ATOM 0 HE21 GLN A 38 -1.036 -8.924 -6.326 1.00 41.23 H new ATOM 0 HE22 GLN A 38 -1.469 -9.937 -7.707 1.00 41.23 H new ATOM 598 N LYS A 39 -1.089 -2.651 -9.752 1.00 23.41 N ATOM 599 CA LYS A 39 -0.732 -1.677 -10.805 1.00 65.51 C ATOM 600 C LYS A 39 -0.496 -0.279 -10.174 1.00 60.52 C ATOM 601 O LYS A 39 0.458 0.430 -10.534 1.00 10.25 O ATOM 602 CB LYS A 39 -1.837 -1.654 -11.921 1.00 33.03 C ATOM 603 CG LYS A 39 -3.089 -0.783 -11.627 1.00 64.33 C ATOM 604 CD LYS A 39 -4.344 -1.165 -12.454 1.00 35.41 C ATOM 605 CE LYS A 39 -4.112 -1.238 -13.971 1.00 62.21 C ATOM 606 NZ LYS A 39 -5.382 -1.553 -14.700 1.00 4.02 N ATOM 0 H LYS A 39 -2.041 -3.010 -9.829 1.00 23.41 H new ATOM 0 HA LYS A 39 0.199 -1.978 -11.285 1.00 65.51 H new ATOM 0 HB2 LYS A 39 -1.382 -1.300 -12.846 1.00 33.03 H new ATOM 0 HB3 LYS A 39 -2.166 -2.678 -12.099 1.00 33.03 H new ATOM 0 HG2 LYS A 39 -3.330 -0.861 -10.567 1.00 64.33 H new ATOM 0 HG3 LYS A 39 -2.844 0.261 -11.822 1.00 64.33 H new ATOM 0 HD2 LYS A 39 -4.710 -2.132 -12.109 1.00 35.41 H new ATOM 0 HD3 LYS A 39 -5.130 -0.437 -12.254 1.00 35.41 H new ATOM 0 HE2 LYS A 39 -3.712 -0.288 -14.326 1.00 62.21 H new ATOM 0 HE3 LYS A 39 -3.365 -2.001 -14.191 1.00 62.21 H new ATOM 0 HZ1 LYS A 39 -5.227 -2.362 -15.334 1.00 4.02 H new ATOM 0 HZ2 LYS A 39 -6.127 -1.789 -14.014 1.00 4.02 H new ATOM 0 HZ3 LYS A 39 -5.676 -0.727 -15.259 1.00 4.02 H new ATOM 620 N VAL A 40 -1.344 0.061 -9.182 1.00 70.34 N ATOM 621 CA VAL A 40 -1.293 1.337 -8.446 1.00 64.24 C ATOM 622 C VAL A 40 -0.007 1.439 -7.606 1.00 45.33 C ATOM 623 O VAL A 40 0.653 2.473 -7.619 1.00 2.24 O ATOM 624 CB VAL A 40 -2.592 1.502 -7.546 1.00 72.14 C ATOM 625 CG1 VAL A 40 -2.402 2.501 -6.376 1.00 24.51 C ATOM 626 CG2 VAL A 40 -3.801 1.913 -8.423 1.00 54.01 C ATOM 0 H VAL A 40 -2.094 -0.554 -8.866 1.00 70.34 H new ATOM 0 HA VAL A 40 -1.273 2.155 -9.166 1.00 64.24 H new ATOM 0 HB VAL A 40 -2.784 0.531 -7.091 1.00 72.14 H new ATOM 0 HG11 VAL A 40 -3.325 2.568 -5.801 1.00 24.51 H new ATOM 0 HG12 VAL A 40 -1.596 2.155 -5.729 1.00 24.51 H new ATOM 0 HG13 VAL A 40 -2.151 3.484 -6.774 1.00 24.51 H new ATOM 0 HG21 VAL A 40 -4.685 2.023 -7.795 1.00 54.01 H new ATOM 0 HG22 VAL A 40 -3.587 2.861 -8.917 1.00 54.01 H new ATOM 0 HG23 VAL A 40 -3.983 1.145 -9.175 1.00 54.01 H new ATOM 636 N LEU A 41 0.350 0.343 -6.912 1.00 44.00 N ATOM 637 CA LEU A 41 1.510 0.303 -5.996 1.00 32.23 C ATOM 638 C LEU A 41 2.845 0.295 -6.757 1.00 5.14 C ATOM 639 O LEU A 41 3.842 0.805 -6.251 1.00 32.13 O ATOM 640 CB LEU A 41 1.425 -0.929 -5.063 1.00 64.03 C ATOM 641 CG LEU A 41 0.306 -0.906 -3.980 1.00 22.43 C ATOM 642 CD1 LEU A 41 0.380 -2.171 -3.100 1.00 63.22 C ATOM 643 CD2 LEU A 41 0.381 0.377 -3.121 1.00 33.44 C ATOM 0 H LEU A 41 -0.156 -0.541 -6.969 1.00 44.00 H new ATOM 0 HA LEU A 41 1.476 1.212 -5.395 1.00 32.23 H new ATOM 0 HB2 LEU A 41 1.283 -1.816 -5.681 1.00 64.03 H new ATOM 0 HB3 LEU A 41 2.385 -1.042 -4.559 1.00 64.03 H new ATOM 0 HG LEU A 41 -0.658 -0.900 -4.489 1.00 22.43 H new ATOM 0 HD11 LEU A 41 -0.409 -2.138 -2.349 1.00 63.22 H new ATOM 0 HD12 LEU A 41 0.251 -3.056 -3.723 1.00 63.22 H new ATOM 0 HD13 LEU A 41 1.350 -2.214 -2.605 1.00 63.22 H new ATOM 0 HD21 LEU A 41 -0.413 0.362 -2.375 1.00 33.44 H new ATOM 0 HD22 LEU A 41 1.348 0.424 -2.621 1.00 33.44 H new ATOM 0 HD23 LEU A 41 0.261 1.251 -3.761 1.00 33.44 H new ATOM 655 N ASN A 42 2.849 -0.305 -7.957 1.00 5.13 N ATOM 656 CA ASN A 42 4.039 -0.357 -8.840 1.00 41.31 C ATOM 657 C ASN A 42 4.391 1.064 -9.336 1.00 31.13 C ATOM 658 O ASN A 42 5.572 1.430 -9.457 1.00 32.24 O ATOM 659 CB ASN A 42 3.758 -1.319 -10.030 1.00 24.31 C ATOM 660 CG ASN A 42 4.957 -1.568 -10.957 1.00 53.33 C ATOM 661 OD1 ASN A 42 6.114 -1.523 -10.540 1.00 61.34 O ATOM 662 ND2 ASN A 42 4.681 -1.872 -12.216 1.00 25.35 N ATOM 0 H ASN A 42 2.030 -0.770 -8.349 1.00 5.13 H new ATOM 0 HA ASN A 42 4.896 -0.738 -8.284 1.00 41.31 H new ATOM 0 HB2 ASN A 42 3.420 -2.276 -9.633 1.00 24.31 H new ATOM 0 HB3 ASN A 42 2.938 -0.912 -10.622 1.00 24.31 H new ATOM 0 HD21 ASN A 42 5.438 -2.077 -12.869 1.00 25.35 H new ATOM 0 HD22 ASN A 42 3.712 -1.902 -12.533 1.00 25.35 H new ATOM 669 N GLU A 43 3.333 1.851 -9.588 1.00 51.41 N ATOM 670 CA GLU A 43 3.426 3.266 -9.976 1.00 54.33 C ATOM 671 C GLU A 43 3.829 4.133 -8.758 1.00 15.20 C ATOM 672 O GLU A 43 4.768 4.925 -8.821 1.00 74.44 O ATOM 673 CB GLU A 43 2.053 3.727 -10.526 1.00 22.41 C ATOM 674 CG GLU A 43 2.055 5.131 -11.165 1.00 43.24 C ATOM 675 CD GLU A 43 0.644 5.719 -11.345 1.00 42.15 C ATOM 676 OE1 GLU A 43 -0.084 5.276 -12.256 1.00 43.45 O ATOM 677 OE2 GLU A 43 0.267 6.624 -10.577 1.00 45.55 O ATOM 0 H GLU A 43 2.372 1.515 -9.526 1.00 51.41 H new ATOM 0 HA GLU A 43 4.189 3.382 -10.746 1.00 54.33 H new ATOM 0 HB2 GLU A 43 1.713 3.005 -11.268 1.00 22.41 H new ATOM 0 HB3 GLU A 43 1.328 3.714 -9.713 1.00 22.41 H new ATOM 0 HG2 GLU A 43 2.645 5.805 -10.544 1.00 43.24 H new ATOM 0 HG3 GLU A 43 2.547 5.080 -12.136 1.00 43.24 H new ATOM 684 N LEU A 44 3.108 3.910 -7.645 1.00 35.55 N ATOM 685 CA LEU A 44 3.235 4.658 -6.363 1.00 70.44 C ATOM 686 C LEU A 44 4.651 4.499 -5.759 1.00 32.14 C ATOM 687 O LEU A 44 5.161 5.400 -5.085 1.00 13.25 O ATOM 688 CB LEU A 44 2.101 4.133 -5.415 1.00 33.12 C ATOM 689 CG LEU A 44 2.005 4.689 -3.943 1.00 4.23 C ATOM 690 CD1 LEU A 44 0.531 4.764 -3.470 1.00 34.54 C ATOM 691 CD2 LEU A 44 2.834 3.833 -2.949 1.00 63.31 C ATOM 0 H LEU A 44 2.395 3.182 -7.603 1.00 35.55 H new ATOM 0 HA LEU A 44 3.113 5.730 -6.516 1.00 70.44 H new ATOM 0 HB2 LEU A 44 1.147 4.333 -5.903 1.00 33.12 H new ATOM 0 HB3 LEU A 44 2.204 3.050 -5.350 1.00 33.12 H new ATOM 0 HG LEU A 44 2.423 5.695 -3.957 1.00 4.23 H new ATOM 0 HD11 LEU A 44 0.495 5.151 -2.452 1.00 34.54 H new ATOM 0 HD12 LEU A 44 -0.030 5.426 -4.130 1.00 34.54 H new ATOM 0 HD13 LEU A 44 0.090 3.768 -3.496 1.00 34.54 H new ATOM 0 HD21 LEU A 44 2.742 4.249 -1.946 1.00 63.31 H new ATOM 0 HD22 LEU A 44 2.462 2.809 -2.953 1.00 63.31 H new ATOM 0 HD23 LEU A 44 3.882 3.839 -3.249 1.00 63.31 H new ATOM 703 N LYS A 45 5.255 3.332 -6.036 1.00 50.32 N ATOM 704 CA LYS A 45 6.646 2.982 -5.679 1.00 43.14 C ATOM 705 C LYS A 45 7.646 3.998 -6.270 1.00 13.23 C ATOM 706 O LYS A 45 8.541 4.498 -5.567 1.00 21.31 O ATOM 707 CB LYS A 45 6.917 1.556 -6.216 1.00 10.23 C ATOM 708 CG LYS A 45 8.329 0.980 -5.995 1.00 63.33 C ATOM 709 CD LYS A 45 8.432 -0.500 -6.460 1.00 51.24 C ATOM 710 CE LYS A 45 8.066 -0.703 -7.945 1.00 51.42 C ATOM 711 NZ LYS A 45 7.967 -2.149 -8.308 1.00 3.12 N ATOM 0 H LYS A 45 4.776 2.579 -6.531 1.00 50.32 H new ATOM 0 HA LYS A 45 6.777 3.011 -4.597 1.00 43.14 H new ATOM 0 HB2 LYS A 45 6.199 0.878 -5.754 1.00 10.23 H new ATOM 0 HB3 LYS A 45 6.714 1.554 -7.287 1.00 10.23 H new ATOM 0 HG2 LYS A 45 9.056 1.583 -6.539 1.00 63.33 H new ATOM 0 HG3 LYS A 45 8.587 1.047 -4.938 1.00 63.33 H new ATOM 0 HD2 LYS A 45 9.449 -0.856 -6.292 1.00 51.24 H new ATOM 0 HD3 LYS A 45 7.774 -1.113 -5.844 1.00 51.24 H new ATOM 0 HE2 LYS A 45 7.116 -0.212 -8.154 1.00 51.42 H new ATOM 0 HE3 LYS A 45 8.818 -0.223 -8.572 1.00 51.42 H new ATOM 0 HZ1 LYS A 45 7.542 -2.241 -9.253 1.00 3.12 H new ATOM 0 HZ2 LYS A 45 8.917 -2.571 -8.313 1.00 3.12 H new ATOM 0 HZ3 LYS A 45 7.373 -2.642 -7.611 1.00 3.12 H new ATOM 725 N ASP A 46 7.441 4.314 -7.570 1.00 43.13 N ATOM 726 CA ASP A 46 8.250 5.310 -8.306 1.00 3.42 C ATOM 727 C ASP A 46 8.163 6.682 -7.635 1.00 62.12 C ATOM 728 O ASP A 46 9.178 7.337 -7.457 1.00 22.45 O ATOM 729 CB ASP A 46 7.796 5.421 -9.789 1.00 62.11 C ATOM 730 CG ASP A 46 8.462 6.591 -10.553 1.00 71.40 C ATOM 731 OD1 ASP A 46 9.627 6.441 -10.986 1.00 71.53 O ATOM 732 OD2 ASP A 46 7.830 7.667 -10.721 1.00 60.34 O ATOM 0 H ASP A 46 6.710 3.885 -8.137 1.00 43.13 H new ATOM 0 HA ASP A 46 9.285 4.969 -8.286 1.00 3.42 H new ATOM 0 HB2 ASP A 46 8.024 4.486 -10.301 1.00 62.11 H new ATOM 0 HB3 ASP A 46 6.714 5.546 -9.821 1.00 62.11 H new ATOM 737 N TYR A 47 6.936 7.078 -7.255 1.00 2.04 N ATOM 738 CA TYR A 47 6.658 8.402 -6.668 1.00 43.41 C ATOM 739 C TYR A 47 7.386 8.593 -5.308 1.00 30.31 C ATOM 740 O TYR A 47 7.979 9.646 -5.067 1.00 44.03 O ATOM 741 CB TYR A 47 5.137 8.608 -6.481 1.00 50.13 C ATOM 742 CG TYR A 47 4.284 8.781 -7.751 1.00 44.45 C ATOM 743 CD1 TYR A 47 4.431 7.953 -8.858 1.00 45.20 C ATOM 744 CD2 TYR A 47 3.295 9.772 -7.824 1.00 44.21 C ATOM 745 CE1 TYR A 47 3.639 8.104 -9.980 1.00 20.11 C ATOM 746 CE2 TYR A 47 2.498 9.922 -8.943 1.00 52.23 C ATOM 747 CZ TYR A 47 2.672 9.085 -10.019 1.00 54.31 C ATOM 748 OH TYR A 47 1.873 9.225 -11.138 1.00 12.41 O ATOM 0 H TYR A 47 6.108 6.489 -7.346 1.00 2.04 H new ATOM 0 HA TYR A 47 7.039 9.149 -7.364 1.00 43.41 H new ATOM 0 HB2 TYR A 47 4.747 7.754 -5.927 1.00 50.13 H new ATOM 0 HB3 TYR A 47 4.991 9.488 -5.855 1.00 50.13 H new ATOM 0 HD1 TYR A 47 5.180 7.175 -8.841 1.00 45.20 H new ATOM 0 HD2 TYR A 47 3.152 10.435 -6.984 1.00 44.21 H new ATOM 0 HE1 TYR A 47 3.778 7.451 -10.829 1.00 20.11 H new ATOM 0 HE2 TYR A 47 1.742 10.693 -8.972 1.00 52.23 H new ATOM 0 HH TYR A 47 1.232 8.485 -11.177 1.00 12.41 H new ATOM 758 N ILE A 48 7.329 7.563 -4.427 1.00 25.11 N ATOM 759 CA ILE A 48 8.039 7.573 -3.122 1.00 41.03 C ATOM 760 C ILE A 48 9.563 7.723 -3.348 1.00 24.32 C ATOM 761 O ILE A 48 10.238 8.486 -2.650 1.00 55.10 O ATOM 762 CB ILE A 48 7.754 6.258 -2.284 1.00 21.12 C ATOM 763 CG1 ILE A 48 6.237 6.142 -1.914 1.00 74.53 C ATOM 764 CG2 ILE A 48 8.644 6.183 -1.010 1.00 63.10 C ATOM 765 CD1 ILE A 48 5.864 4.926 -1.077 1.00 64.51 C ATOM 0 H ILE A 48 6.796 6.710 -4.598 1.00 25.11 H new ATOM 0 HA ILE A 48 7.663 8.423 -2.552 1.00 41.03 H new ATOM 0 HB ILE A 48 8.015 5.409 -2.916 1.00 21.12 H new ATOM 0 HG12 ILE A 48 5.942 7.040 -1.372 1.00 74.53 H new ATOM 0 HG13 ILE A 48 5.655 6.121 -2.836 1.00 74.53 H new ATOM 0 HG21 ILE A 48 8.419 5.268 -0.462 1.00 63.10 H new ATOM 0 HG22 ILE A 48 9.695 6.184 -1.300 1.00 63.10 H new ATOM 0 HG23 ILE A 48 8.442 7.045 -0.374 1.00 63.10 H new ATOM 0 HD11 ILE A 48 4.793 4.938 -0.875 1.00 64.51 H new ATOM 0 HD12 ILE A 48 6.120 4.017 -1.621 1.00 64.51 H new ATOM 0 HD13 ILE A 48 6.411 4.951 -0.135 1.00 64.51 H new ATOM 777 N LYS A 49 10.062 6.993 -4.351 1.00 11.35 N ATOM 778 CA LYS A 49 11.492 6.966 -4.722 1.00 54.23 C ATOM 779 C LYS A 49 11.941 8.293 -5.386 1.00 4.34 C ATOM 780 O LYS A 49 13.081 8.744 -5.202 1.00 23.01 O ATOM 781 CB LYS A 49 11.727 5.784 -5.694 1.00 13.13 C ATOM 782 CG LYS A 49 13.195 5.544 -6.107 1.00 65.45 C ATOM 783 CD LYS A 49 13.331 4.452 -7.199 1.00 71.00 C ATOM 784 CE LYS A 49 12.749 3.088 -6.775 1.00 11.14 C ATOM 785 NZ LYS A 49 12.968 2.049 -7.824 1.00 61.43 N ATOM 0 H LYS A 49 9.482 6.395 -4.939 1.00 11.35 H new ATOM 0 HA LYS A 49 12.085 6.841 -3.816 1.00 54.23 H new ATOM 0 HB2 LYS A 49 11.345 4.874 -5.231 1.00 13.13 H new ATOM 0 HB3 LYS A 49 11.138 5.955 -6.595 1.00 13.13 H new ATOM 0 HG2 LYS A 49 13.623 6.477 -6.474 1.00 65.45 H new ATOM 0 HG3 LYS A 49 13.773 5.251 -5.230 1.00 65.45 H new ATOM 0 HD2 LYS A 49 12.826 4.789 -8.104 1.00 71.00 H new ATOM 0 HD3 LYS A 49 14.385 4.328 -7.449 1.00 71.00 H new ATOM 0 HE2 LYS A 49 13.213 2.768 -5.842 1.00 11.14 H new ATOM 0 HE3 LYS A 49 11.681 3.191 -6.581 1.00 11.14 H new ATOM 0 HZ1 LYS A 49 12.565 1.145 -7.506 1.00 61.43 H new ATOM 0 HZ2 LYS A 49 12.504 2.344 -8.707 1.00 61.43 H new ATOM 0 HZ3 LYS A 49 13.988 1.933 -7.991 1.00 61.43 H new ATOM 799 N LYS A 50 11.021 8.904 -6.154 1.00 22.52 N ATOM 800 CA LYS A 50 11.309 10.080 -7.003 1.00 35.31 C ATOM 801 C LYS A 50 11.353 11.346 -6.153 1.00 73.44 C ATOM 802 O LYS A 50 12.282 12.158 -6.273 1.00 14.14 O ATOM 803 CB LYS A 50 10.235 10.178 -8.120 1.00 51.44 C ATOM 804 CG LYS A 50 10.406 11.338 -9.125 1.00 35.42 C ATOM 805 CD LYS A 50 9.527 11.151 -10.394 1.00 41.33 C ATOM 806 CE LYS A 50 8.029 10.974 -10.083 1.00 73.20 C ATOM 807 NZ LYS A 50 7.234 10.712 -11.322 1.00 10.13 N ATOM 0 H LYS A 50 10.050 8.596 -6.205 1.00 22.52 H new ATOM 0 HA LYS A 50 12.286 9.969 -7.472 1.00 35.31 H new ATOM 0 HB2 LYS A 50 10.231 9.240 -8.676 1.00 51.44 H new ATOM 0 HB3 LYS A 50 9.257 10.274 -7.648 1.00 51.44 H new ATOM 0 HG2 LYS A 50 10.145 12.278 -8.640 1.00 35.42 H new ATOM 0 HG3 LYS A 50 11.453 11.411 -9.418 1.00 35.42 H new ATOM 0 HD2 LYS A 50 9.655 12.015 -11.046 1.00 41.33 H new ATOM 0 HD3 LYS A 50 9.881 10.280 -10.946 1.00 41.33 H new ATOM 0 HE2 LYS A 50 7.898 10.147 -9.385 1.00 73.20 H new ATOM 0 HE3 LYS A 50 7.651 11.870 -9.591 1.00 73.20 H new ATOM 0 HZ1 LYS A 50 6.277 11.102 -11.209 1.00 10.13 H new ATOM 0 HZ2 LYS A 50 7.699 11.165 -12.135 1.00 10.13 H new ATOM 0 HZ3 LYS A 50 7.173 9.687 -11.485 1.00 10.13 H new ATOM 821 N GLN A 51 10.346 11.493 -5.284 1.00 0.51 N ATOM 822 CA GLN A 51 10.333 12.542 -4.260 1.00 0.33 C ATOM 823 C GLN A 51 11.353 12.175 -3.164 1.00 75.40 C ATOM 824 O GLN A 51 11.313 11.067 -2.625 1.00 72.53 O ATOM 825 CB GLN A 51 8.912 12.721 -3.642 1.00 45.53 C ATOM 826 CG GLN A 51 7.878 13.439 -4.546 1.00 23.55 C ATOM 827 CD GLN A 51 7.386 12.614 -5.741 1.00 73.42 C ATOM 828 OE1 GLN A 51 7.991 12.623 -6.813 1.00 62.13 O ATOM 829 NE2 GLN A 51 6.272 11.916 -5.574 1.00 50.41 N ATOM 0 H GLN A 51 9.522 10.892 -5.271 1.00 0.51 H new ATOM 0 HA GLN A 51 10.605 13.491 -4.722 1.00 0.33 H new ATOM 0 HB2 GLN A 51 8.521 11.737 -3.383 1.00 45.53 H new ATOM 0 HB3 GLN A 51 9.007 13.282 -2.712 1.00 45.53 H new ATOM 0 HG2 GLN A 51 7.018 13.720 -3.938 1.00 23.55 H new ATOM 0 HG3 GLN A 51 8.321 14.363 -4.918 1.00 23.55 H new ATOM 0 HE21 GLN A 51 5.793 11.928 -4.674 1.00 50.41 H new ATOM 0 HE22 GLN A 51 5.894 11.367 -6.346 1.00 50.41 H new ATOM 838 N GLY A 52 12.264 13.111 -2.851 1.00 63.40 N ATOM 839 CA GLY A 52 13.286 12.913 -1.820 1.00 12.21 C ATOM 840 C GLY A 52 12.746 13.231 -0.433 1.00 73.03 C ATOM 841 O GLY A 52 13.310 14.055 0.294 1.00 22.34 O ATOM 0 H GLY A 52 12.310 14.023 -3.306 1.00 63.40 H new ATOM 0 HA2 GLY A 52 13.637 11.882 -1.847 1.00 12.21 H new ATOM 0 HA3 GLY A 52 14.146 13.548 -2.032 1.00 12.21 H new ATOM 845 N CYS A 53 11.624 12.579 -0.080 1.00 11.13 N ATOM 846 CA CYS A 53 10.922 12.807 1.186 1.00 11.51 C ATOM 847 C CYS A 53 11.689 12.174 2.351 1.00 12.43 C ATOM 848 O CYS A 53 12.347 11.135 2.179 1.00 74.51 O ATOM 849 CB CYS A 53 9.499 12.236 1.089 1.00 23.11 C ATOM 850 SG CYS A 53 8.554 12.953 -0.268 1.00 53.20 S ATOM 0 H CYS A 53 11.180 11.876 -0.671 1.00 11.13 H new ATOM 0 HA CYS A 53 10.861 13.879 1.376 1.00 11.51 H new ATOM 0 HB2 CYS A 53 9.554 11.155 0.957 1.00 23.11 H new ATOM 0 HB3 CYS A 53 8.974 12.417 2.027 1.00 23.11 H new ATOM 0 HG CYS A 53 8.834 14.218 -0.371 1.00 53.20 H new ATOM 856 N LYS A 54 11.591 12.818 3.525 1.00 23.53 N ATOM 857 CA LYS A 54 12.262 12.371 4.753 1.00 64.25 C ATOM 858 C LYS A 54 11.719 10.993 5.153 1.00 44.54 C ATOM 859 O LYS A 54 12.471 10.015 5.222 1.00 62.33 O ATOM 860 CB LYS A 54 12.055 13.416 5.879 1.00 50.31 C ATOM 861 CG LYS A 54 12.528 14.844 5.508 1.00 65.13 C ATOM 862 CD LYS A 54 12.321 15.865 6.651 1.00 11.14 C ATOM 863 CE LYS A 54 10.845 16.030 7.059 1.00 75.43 C ATOM 864 NZ LYS A 54 10.697 16.913 8.249 1.00 31.12 N ATOM 0 H LYS A 54 11.041 13.668 3.648 1.00 23.53 H new ATOM 0 HA LYS A 54 13.335 12.280 4.581 1.00 64.25 H new ATOM 0 HB2 LYS A 54 10.997 13.451 6.138 1.00 50.31 H new ATOM 0 HB3 LYS A 54 12.591 13.087 6.769 1.00 50.31 H new ATOM 0 HG2 LYS A 54 13.585 14.813 5.243 1.00 65.13 H new ATOM 0 HG3 LYS A 54 11.987 15.182 4.624 1.00 65.13 H new ATOM 0 HD2 LYS A 54 12.898 15.549 7.520 1.00 11.14 H new ATOM 0 HD3 LYS A 54 12.716 16.833 6.341 1.00 11.14 H new ATOM 0 HE2 LYS A 54 10.281 16.447 6.224 1.00 75.43 H new ATOM 0 HE3 LYS A 54 10.416 15.052 7.276 1.00 75.43 H new ATOM 0 HZ1 LYS A 54 9.690 17.000 8.494 1.00 31.12 H new ATOM 0 HZ2 LYS A 54 11.214 16.502 9.052 1.00 31.12 H new ATOM 0 HZ3 LYS A 54 11.083 17.854 8.033 1.00 31.12 H new ATOM 878 N ARG A 55 10.388 10.933 5.376 1.00 63.32 N ATOM 879 CA ARG A 55 9.638 9.665 5.524 1.00 14.14 C ATOM 880 C ARG A 55 8.415 9.680 4.585 1.00 22.00 C ATOM 881 O ARG A 55 7.860 10.749 4.289 1.00 62.14 O ATOM 882 CB ARG A 55 9.173 9.392 6.996 1.00 2.21 C ATOM 883 CG ARG A 55 10.292 9.236 8.066 1.00 3.33 C ATOM 884 CD ARG A 55 11.449 8.296 7.652 1.00 51.14 C ATOM 885 NE ARG A 55 10.990 7.015 7.071 1.00 13.02 N ATOM 886 CZ ARG A 55 11.340 6.529 5.854 1.00 2.45 C ATOM 887 NH1 ARG A 55 12.174 7.202 5.066 1.00 3.24 N ATOM 888 NH2 ARG A 55 10.837 5.377 5.427 1.00 52.14 N ATOM 0 H ARG A 55 9.802 11.764 5.459 1.00 63.32 H new ATOM 0 HA ARG A 55 10.319 8.857 5.255 1.00 14.14 H new ATOM 0 HB2 ARG A 55 8.520 10.209 7.303 1.00 2.21 H new ATOM 0 HB3 ARG A 55 8.570 8.484 6.999 1.00 2.21 H new ATOM 0 HG2 ARG A 55 10.703 10.220 8.290 1.00 3.33 H new ATOM 0 HG3 ARG A 55 9.847 8.860 8.987 1.00 3.33 H new ATOM 0 HD2 ARG A 55 12.081 8.809 6.927 1.00 51.14 H new ATOM 0 HD3 ARG A 55 12.068 8.089 8.525 1.00 51.14 H new ATOM 0 HE ARG A 55 10.356 6.449 7.634 1.00 13.02 H new ATOM 0 HH11 ARG A 55 12.559 8.095 5.375 1.00 3.24 H new ATOM 0 HH12 ARG A 55 12.429 6.825 4.153 1.00 3.24 H new ATOM 0 HH21 ARG A 55 10.186 4.856 6.014 1.00 52.14 H new ATOM 0 HH22 ARG A 55 11.101 5.013 4.512 1.00 52.14 H new ATOM 902 N SER A 56 8.011 8.487 4.119 1.00 61.50 N ATOM 903 CA SER A 56 6.827 8.291 3.267 1.00 40.22 C ATOM 904 C SER A 56 6.033 7.089 3.794 1.00 22.53 C ATOM 905 O SER A 56 6.614 6.025 4.029 1.00 22.01 O ATOM 906 CB SER A 56 7.248 8.064 1.798 1.00 2.35 C ATOM 907 OG SER A 56 8.005 9.157 1.295 1.00 33.22 O ATOM 0 H SER A 56 8.505 7.619 4.327 1.00 61.50 H new ATOM 0 HA SER A 56 6.201 9.183 3.299 1.00 40.22 H new ATOM 0 HB2 SER A 56 7.836 7.149 1.725 1.00 2.35 H new ATOM 0 HB3 SER A 56 6.360 7.922 1.182 1.00 2.35 H new ATOM 0 HG SER A 56 7.444 9.698 0.701 1.00 33.22 H new ATOM 913 N ARG A 57 4.711 7.259 3.973 1.00 44.32 N ATOM 914 CA ARG A 57 3.828 6.238 4.576 1.00 35.41 C ATOM 915 C ARG A 57 2.676 5.905 3.609 1.00 72.52 C ATOM 916 O ARG A 57 1.899 6.793 3.259 1.00 50.20 O ATOM 917 CB ARG A 57 3.237 6.756 5.922 1.00 70.44 C ATOM 918 CG ARG A 57 4.263 7.322 6.928 1.00 54.14 C ATOM 919 CD ARG A 57 3.621 7.688 8.275 1.00 12.02 C ATOM 920 NE ARG A 57 2.477 8.600 8.092 1.00 5.00 N ATOM 921 CZ ARG A 57 1.245 8.423 8.596 1.00 2.15 C ATOM 922 NH1 ARG A 57 0.948 7.363 9.344 1.00 20.54 N ATOM 923 NH2 ARG A 57 0.303 9.313 8.335 1.00 52.30 N ATOM 0 H ARG A 57 4.220 8.112 3.703 1.00 44.32 H new ATOM 0 HA ARG A 57 4.417 5.341 4.767 1.00 35.41 H new ATOM 0 HB2 ARG A 57 2.505 7.533 5.701 1.00 70.44 H new ATOM 0 HB3 ARG A 57 2.699 5.938 6.401 1.00 70.44 H new ATOM 0 HG2 ARG A 57 5.051 6.587 7.092 1.00 54.14 H new ATOM 0 HG3 ARG A 57 4.736 8.207 6.502 1.00 54.14 H new ATOM 0 HD2 ARG A 57 3.289 6.781 8.781 1.00 12.02 H new ATOM 0 HD3 ARG A 57 4.364 8.158 8.919 1.00 12.02 H new ATOM 0 HE ARG A 57 2.635 9.439 7.534 1.00 5.00 H new ATOM 0 HH11 ARG A 57 1.663 6.664 9.545 1.00 20.54 H new ATOM 0 HH12 ARG A 57 0.005 7.250 9.716 1.00 20.54 H new ATOM 0 HH21 ARG A 57 0.515 10.125 7.755 1.00 52.30 H new ATOM 0 HH22 ARG A 57 -0.636 9.188 8.713 1.00 52.30 H new ATOM 937 N THR A 58 2.578 4.635 3.179 1.00 4.13 N ATOM 938 CA THR A 58 1.478 4.157 2.319 1.00 11.15 C ATOM 939 C THR A 58 0.426 3.441 3.180 1.00 43.43 C ATOM 940 O THR A 58 0.747 2.486 3.896 1.00 63.35 O ATOM 941 CB THR A 58 2.000 3.189 1.210 1.00 2.34 C ATOM 942 OG1 THR A 58 3.026 3.839 0.451 1.00 15.43 O ATOM 943 CG2 THR A 58 0.884 2.719 0.253 1.00 11.54 C ATOM 0 H THR A 58 3.257 3.912 3.416 1.00 4.13 H new ATOM 0 HA THR A 58 1.030 5.021 1.828 1.00 11.15 H new ATOM 0 HB THR A 58 2.391 2.306 1.715 1.00 2.34 H new ATOM 0 HG1 THR A 58 2.832 4.798 0.393 1.00 15.43 H new ATOM 0 HG21 THR A 58 1.306 2.049 -0.496 1.00 11.54 H new ATOM 0 HG22 THR A 58 0.116 2.192 0.820 1.00 11.54 H new ATOM 0 HG23 THR A 58 0.441 3.583 -0.242 1.00 11.54 H new ATOM 951 N SER A 59 -0.819 3.928 3.115 1.00 10.31 N ATOM 952 CA SER A 59 -1.963 3.337 3.823 1.00 74.15 C ATOM 953 C SER A 59 -2.922 2.716 2.802 1.00 42.13 C ATOM 954 O SER A 59 -3.382 3.403 1.894 1.00 51.40 O ATOM 955 CB SER A 59 -2.681 4.418 4.652 1.00 74.34 C ATOM 956 OG SER A 59 -3.725 3.868 5.439 1.00 33.54 O ATOM 0 H SER A 59 -1.064 4.751 2.565 1.00 10.31 H new ATOM 0 HA SER A 59 -1.614 2.559 4.502 1.00 74.15 H new ATOM 0 HB2 SER A 59 -1.961 4.918 5.300 1.00 74.34 H new ATOM 0 HB3 SER A 59 -3.089 5.177 3.985 1.00 74.34 H new ATOM 0 HG SER A 59 -3.411 3.746 6.359 1.00 33.54 H new ATOM 962 N ILE A 60 -3.194 1.414 2.936 1.00 64.43 N ATOM 963 CA ILE A 60 -4.154 0.688 2.074 1.00 14.42 C ATOM 964 C ILE A 60 -5.319 0.181 2.946 1.00 0.13 C ATOM 965 O ILE A 60 -5.091 -0.243 4.070 1.00 30.44 O ATOM 966 CB ILE A 60 -3.457 -0.525 1.345 1.00 71.41 C ATOM 967 CG1 ILE A 60 -2.240 -0.043 0.500 1.00 15.02 C ATOM 968 CG2 ILE A 60 -4.457 -1.310 0.465 1.00 44.33 C ATOM 969 CD1 ILE A 60 -1.465 -1.161 -0.167 1.00 72.02 C ATOM 0 H ILE A 60 -2.757 0.825 3.645 1.00 64.43 H new ATOM 0 HA ILE A 60 -4.528 1.367 1.307 1.00 14.42 H new ATOM 0 HB ILE A 60 -3.092 -1.203 2.116 1.00 71.41 H new ATOM 0 HG12 ILE A 60 -2.594 0.646 -0.267 1.00 15.02 H new ATOM 0 HG13 ILE A 60 -1.564 0.518 1.145 1.00 15.02 H new ATOM 0 HG21 ILE A 60 -3.941 -2.138 -0.021 1.00 44.33 H new ATOM 0 HG22 ILE A 60 -5.262 -1.700 1.088 1.00 44.33 H new ATOM 0 HG23 ILE A 60 -4.873 -0.646 -0.293 1.00 44.33 H new ATOM 0 HD11 ILE A 60 -0.635 -0.740 -0.735 1.00 72.02 H new ATOM 0 HD12 ILE A 60 -1.077 -1.839 0.593 1.00 72.02 H new ATOM 0 HD13 ILE A 60 -2.124 -1.709 -0.840 1.00 72.02 H new ATOM 981 N THR A 61 -6.554 0.237 2.417 1.00 52.51 N ATOM 982 CA THR A 61 -7.760 -0.233 3.124 1.00 21.45 C ATOM 983 C THR A 61 -7.660 -1.732 3.497 1.00 25.12 C ATOM 984 O THR A 61 -7.660 -2.604 2.632 1.00 21.34 O ATOM 985 CB THR A 61 -9.022 0.045 2.258 1.00 43.42 C ATOM 986 OG1 THR A 61 -9.180 1.464 2.096 1.00 22.13 O ATOM 987 CG2 THR A 61 -10.310 -0.539 2.854 1.00 62.44 C ATOM 0 H THR A 61 -6.745 0.609 1.487 1.00 52.51 H new ATOM 0 HA THR A 61 -7.844 0.321 4.059 1.00 21.45 H new ATOM 0 HB THR A 61 -8.863 -0.448 1.299 1.00 43.42 H new ATOM 0 HG1 THR A 61 -8.346 1.849 1.755 1.00 22.13 H new ATOM 0 HG21 THR A 61 -11.151 -0.308 2.200 1.00 62.44 H new ATOM 0 HG22 THR A 61 -10.210 -1.620 2.948 1.00 62.44 H new ATOM 0 HG23 THR A 61 -10.486 -0.104 3.838 1.00 62.44 H new ATOM 995 N ALA A 62 -7.559 -1.981 4.807 1.00 52.33 N ATOM 996 CA ALA A 62 -7.362 -3.317 5.403 1.00 4.40 C ATOM 997 C ALA A 62 -8.455 -3.598 6.456 1.00 1.44 C ATOM 998 O ALA A 62 -8.227 -4.326 7.431 1.00 22.35 O ATOM 999 CB ALA A 62 -5.957 -3.355 6.020 1.00 33.04 C ATOM 0 H ALA A 62 -7.613 -1.241 5.506 1.00 52.33 H new ATOM 0 HA ALA A 62 -7.444 -4.095 4.644 1.00 4.40 H new ATOM 0 HB1 ALA A 62 -5.783 -4.333 6.469 1.00 33.04 H new ATOM 0 HB2 ALA A 62 -5.214 -3.175 5.243 1.00 33.04 H new ATOM 0 HB3 ALA A 62 -5.875 -2.584 6.786 1.00 33.04 H new ATOM 1005 N ARG A 63 -9.653 -3.024 6.210 1.00 51.42 N ATOM 1006 CA ARG A 63 -10.828 -3.095 7.128 1.00 71.01 C ATOM 1007 C ARG A 63 -11.271 -4.540 7.415 1.00 73.21 C ATOM 1008 O ARG A 63 -11.732 -4.856 8.517 1.00 75.25 O ATOM 1009 CB ARG A 63 -11.988 -2.238 6.537 1.00 40.41 C ATOM 1010 CG ARG A 63 -12.450 -2.646 5.117 1.00 21.23 C ATOM 1011 CD ARG A 63 -13.307 -1.566 4.432 1.00 44.43 C ATOM 1012 NE ARG A 63 -14.550 -1.253 5.153 1.00 2.53 N ATOM 1013 CZ ARG A 63 -15.283 -0.133 4.989 1.00 21.55 C ATOM 1014 NH1 ARG A 63 -14.921 0.816 4.129 1.00 52.11 N ATOM 1015 NH2 ARG A 63 -16.393 0.030 5.694 1.00 24.45 N ATOM 0 H ARG A 63 -9.841 -2.491 5.361 1.00 51.42 H new ATOM 0 HA ARG A 63 -10.535 -2.686 8.095 1.00 71.01 H new ATOM 0 HB2 ARG A 63 -12.843 -2.298 7.211 1.00 40.41 H new ATOM 0 HB3 ARG A 63 -11.673 -1.195 6.514 1.00 40.41 H new ATOM 0 HG2 ARG A 63 -11.575 -2.853 4.501 1.00 21.23 H new ATOM 0 HG3 ARG A 63 -13.022 -3.572 5.179 1.00 21.23 H new ATOM 0 HD2 ARG A 63 -12.716 -0.655 4.332 1.00 44.43 H new ATOM 0 HD3 ARG A 63 -13.556 -1.897 3.424 1.00 44.43 H new ATOM 0 HE ARG A 63 -14.884 -1.938 5.831 1.00 2.53 H new ATOM 0 HH11 ARG A 63 -14.072 0.705 3.575 1.00 52.11 H new ATOM 0 HH12 ARG A 63 -15.493 1.654 4.024 1.00 52.11 H new ATOM 0 HH21 ARG A 63 -16.688 -0.689 6.355 1.00 24.45 H new ATOM 0 HH22 ARG A 63 -16.953 0.874 5.576 1.00 24.45 H new ATOM 1029 N THR A 64 -11.114 -5.393 6.408 1.00 64.20 N ATOM 1030 CA THR A 64 -11.319 -6.834 6.512 1.00 52.32 C ATOM 1031 C THR A 64 -9.950 -7.513 6.784 1.00 1.23 C ATOM 1032 O THR A 64 -8.963 -7.196 6.112 1.00 22.10 O ATOM 1033 CB THR A 64 -11.968 -7.347 5.190 1.00 64.50 C ATOM 1034 OG1 THR A 64 -11.239 -6.831 4.072 1.00 62.14 O ATOM 1035 CG2 THR A 64 -13.448 -6.915 5.058 1.00 74.54 C ATOM 0 H THR A 64 -10.834 -5.094 5.474 1.00 64.20 H new ATOM 0 HA THR A 64 -11.990 -7.079 7.335 1.00 52.32 H new ATOM 0 HB THR A 64 -11.933 -8.436 5.211 1.00 64.50 H new ATOM 0 HG1 THR A 64 -11.177 -7.518 3.376 1.00 62.14 H new ATOM 0 HG21 THR A 64 -13.856 -7.296 4.122 1.00 74.54 H new ATOM 0 HG22 THR A 64 -14.020 -7.317 5.894 1.00 74.54 H new ATOM 0 HG23 THR A 64 -13.511 -5.827 5.065 1.00 74.54 H new ATOM 1043 N LYS A 65 -9.908 -8.433 7.774 1.00 14.45 N ATOM 1044 CA LYS A 65 -8.654 -9.061 8.272 1.00 43.10 C ATOM 1045 C LYS A 65 -7.933 -9.889 7.188 1.00 75.23 C ATOM 1046 O LYS A 65 -6.704 -9.969 7.178 1.00 3.10 O ATOM 1047 CB LYS A 65 -8.954 -9.954 9.506 1.00 44.42 C ATOM 1048 CG LYS A 65 -9.523 -9.197 10.722 1.00 21.54 C ATOM 1049 CD LYS A 65 -9.767 -10.113 11.942 1.00 53.01 C ATOM 1050 CE LYS A 65 -10.820 -11.208 11.681 1.00 13.34 C ATOM 1051 NZ LYS A 65 -11.091 -12.019 12.906 1.00 74.04 N ATOM 0 H LYS A 65 -10.744 -8.765 8.255 1.00 14.45 H new ATOM 0 HA LYS A 65 -7.985 -8.249 8.557 1.00 43.10 H new ATOM 0 HB2 LYS A 65 -9.662 -10.729 9.213 1.00 44.42 H new ATOM 0 HB3 LYS A 65 -8.035 -10.458 9.806 1.00 44.42 H new ATOM 0 HG2 LYS A 65 -8.833 -8.402 11.004 1.00 21.54 H new ATOM 0 HG3 LYS A 65 -10.461 -8.719 10.439 1.00 21.54 H new ATOM 0 HD2 LYS A 65 -8.826 -10.584 12.228 1.00 53.01 H new ATOM 0 HD3 LYS A 65 -10.088 -9.504 12.787 1.00 53.01 H new ATOM 0 HE2 LYS A 65 -11.746 -10.747 11.338 1.00 13.34 H new ATOM 0 HE3 LYS A 65 -10.474 -11.862 10.881 1.00 13.34 H new ATOM 0 HZ1 LYS A 65 -11.804 -12.745 12.691 1.00 74.04 H new ATOM 0 HZ2 LYS A 65 -10.212 -12.479 13.219 1.00 74.04 H new ATOM 0 HZ3 LYS A 65 -11.445 -11.399 13.662 1.00 74.04 H new ATOM 1065 N LYS A 66 -8.722 -10.486 6.288 1.00 2.24 N ATOM 1066 CA LYS A 66 -8.219 -11.261 5.131 1.00 61.12 C ATOM 1067 C LYS A 66 -7.393 -10.343 4.205 1.00 40.21 C ATOM 1068 O LYS A 66 -6.251 -10.652 3.858 1.00 25.51 O ATOM 1069 CB LYS A 66 -9.429 -11.873 4.371 1.00 5.00 C ATOM 1070 CG LYS A 66 -9.080 -12.771 3.159 1.00 60.22 C ATOM 1071 CD LYS A 66 -10.338 -13.120 2.323 1.00 20.42 C ATOM 1072 CE LYS A 66 -10.047 -14.069 1.149 1.00 44.30 C ATOM 1073 NZ LYS A 66 -9.719 -15.452 1.597 1.00 14.42 N ATOM 0 H LYS A 66 -9.740 -10.449 6.336 1.00 2.24 H new ATOM 0 HA LYS A 66 -7.570 -12.067 5.473 1.00 61.12 H new ATOM 0 HB2 LYS A 66 -10.018 -12.460 5.076 1.00 5.00 H new ATOM 0 HB3 LYS A 66 -10.066 -11.059 4.024 1.00 5.00 H new ATOM 0 HG2 LYS A 66 -8.352 -12.262 2.527 1.00 60.22 H new ATOM 0 HG3 LYS A 66 -8.610 -13.690 3.510 1.00 60.22 H new ATOM 0 HD2 LYS A 66 -11.083 -13.578 2.974 1.00 20.42 H new ATOM 0 HD3 LYS A 66 -10.775 -12.199 1.937 1.00 20.42 H new ATOM 0 HE2 LYS A 66 -10.914 -14.101 0.489 1.00 44.30 H new ATOM 0 HE3 LYS A 66 -9.216 -13.674 0.565 1.00 44.30 H new ATOM 0 HZ1 LYS A 66 -9.532 -16.050 0.767 1.00 14.42 H new ATOM 0 HZ2 LYS A 66 -8.876 -15.429 2.205 1.00 14.42 H new ATOM 0 HZ3 LYS A 66 -10.521 -15.843 2.132 1.00 14.42 H new ATOM 1087 N GLU A 67 -7.995 -9.190 3.856 1.00 23.32 N ATOM 1088 CA GLU A 67 -7.353 -8.144 3.035 1.00 11.02 C ATOM 1089 C GLU A 67 -6.224 -7.421 3.805 1.00 42.13 C ATOM 1090 O GLU A 67 -5.344 -6.841 3.185 1.00 34.34 O ATOM 1091 CB GLU A 67 -8.428 -7.136 2.524 1.00 22.05 C ATOM 1092 CG GLU A 67 -9.281 -7.621 1.318 1.00 73.31 C ATOM 1093 CD GLU A 67 -10.014 -8.963 1.534 1.00 72.15 C ATOM 1094 OE1 GLU A 67 -11.137 -8.972 2.082 1.00 43.12 O ATOM 1095 OE2 GLU A 67 -9.475 -10.013 1.145 1.00 72.04 O ATOM 0 H GLU A 67 -8.947 -8.956 4.137 1.00 23.32 H new ATOM 0 HA GLU A 67 -6.887 -8.624 2.175 1.00 11.02 H new ATOM 0 HB2 GLU A 67 -9.099 -6.898 3.349 1.00 22.05 H new ATOM 0 HB3 GLU A 67 -7.928 -6.209 2.243 1.00 22.05 H new ATOM 0 HG2 GLU A 67 -10.020 -6.855 1.083 1.00 73.31 H new ATOM 0 HG3 GLU A 67 -8.632 -7.715 0.448 1.00 73.31 H new ATOM 1102 N ALA A 68 -6.260 -7.469 5.146 1.00 34.10 N ATOM 1103 CA ALA A 68 -5.188 -6.911 5.996 1.00 74.33 C ATOM 1104 C ALA A 68 -3.894 -7.721 5.831 1.00 53.12 C ATOM 1105 O ALA A 68 -2.820 -7.158 5.641 1.00 52.23 O ATOM 1106 CB ALA A 68 -5.630 -6.881 7.461 1.00 21.24 C ATOM 0 H ALA A 68 -7.025 -7.892 5.672 1.00 34.10 H new ATOM 0 HA ALA A 68 -4.990 -5.887 5.679 1.00 74.33 H new ATOM 0 HB1 ALA A 68 -4.829 -6.467 8.074 1.00 21.24 H new ATOM 0 HB2 ALA A 68 -6.520 -6.260 7.560 1.00 21.24 H new ATOM 0 HB3 ALA A 68 -5.855 -7.894 7.794 1.00 21.24 H new ATOM 1112 N GLU A 69 -4.048 -9.053 5.893 1.00 4.51 N ATOM 1113 CA GLU A 69 -2.963 -10.032 5.686 1.00 12.43 C ATOM 1114 C GLU A 69 -2.431 -9.954 4.239 1.00 22.33 C ATOM 1115 O GLU A 69 -1.215 -9.962 3.998 1.00 2.41 O ATOM 1116 CB GLU A 69 -3.520 -11.455 5.975 1.00 73.41 C ATOM 1117 CG GLU A 69 -3.928 -11.709 7.445 1.00 74.13 C ATOM 1118 CD GLU A 69 -4.586 -13.085 7.651 1.00 75.42 C ATOM 1119 OE1 GLU A 69 -5.804 -13.210 7.398 1.00 53.21 O ATOM 1120 OE2 GLU A 69 -3.887 -14.053 8.041 1.00 63.34 O ATOM 0 H GLU A 69 -4.947 -9.491 6.092 1.00 4.51 H new ATOM 0 HA GLU A 69 -2.136 -9.810 6.361 1.00 12.43 H new ATOM 0 HB2 GLU A 69 -4.388 -11.626 5.338 1.00 73.41 H new ATOM 0 HB3 GLU A 69 -2.766 -12.189 5.691 1.00 73.41 H new ATOM 0 HG2 GLU A 69 -3.046 -11.634 8.080 1.00 74.13 H new ATOM 0 HG3 GLU A 69 -4.619 -10.929 7.766 1.00 74.13 H new ATOM 1127 N LYS A 70 -3.380 -9.856 3.305 1.00 4.12 N ATOM 1128 CA LYS A 70 -3.147 -9.885 1.863 1.00 51.44 C ATOM 1129 C LYS A 70 -2.334 -8.668 1.385 1.00 64.12 C ATOM 1130 O LYS A 70 -1.219 -8.811 0.856 1.00 24.23 O ATOM 1131 CB LYS A 70 -4.537 -9.907 1.194 1.00 2.23 C ATOM 1132 CG LYS A 70 -4.539 -9.833 -0.327 1.00 32.40 C ATOM 1133 CD LYS A 70 -5.965 -9.711 -0.895 1.00 41.12 C ATOM 1134 CE LYS A 70 -6.870 -10.919 -0.641 1.00 61.13 C ATOM 1135 NZ LYS A 70 -8.217 -10.718 -1.264 1.00 44.34 N ATOM 0 H LYS A 70 -4.366 -9.751 3.543 1.00 4.12 H new ATOM 0 HA LYS A 70 -2.560 -10.763 1.595 1.00 51.44 H new ATOM 0 HB2 LYS A 70 -5.051 -10.820 1.496 1.00 2.23 H new ATOM 0 HB3 LYS A 70 -5.119 -9.071 1.581 1.00 2.23 H new ATOM 0 HG2 LYS A 70 -3.946 -8.977 -0.649 1.00 32.40 H new ATOM 0 HG3 LYS A 70 -4.061 -10.724 -0.734 1.00 32.40 H new ATOM 0 HD2 LYS A 70 -6.436 -8.827 -0.466 1.00 41.12 H new ATOM 0 HD3 LYS A 70 -5.898 -9.546 -1.970 1.00 41.12 H new ATOM 0 HE2 LYS A 70 -6.407 -11.818 -1.049 1.00 61.13 H new ATOM 0 HE3 LYS A 70 -6.981 -11.076 0.432 1.00 61.13 H new ATOM 0 HZ1 LYS A 70 -8.925 -10.565 -0.518 1.00 44.34 H new ATOM 0 HZ2 LYS A 70 -8.189 -9.888 -1.890 1.00 44.34 H new ATOM 0 HZ3 LYS A 70 -8.473 -11.561 -1.817 1.00 44.34 H new ATOM 1149 N PHE A 71 -2.907 -7.471 1.602 1.00 70.34 N ATOM 1150 CA PHE A 71 -2.335 -6.193 1.131 1.00 55.14 C ATOM 1151 C PHE A 71 -1.050 -5.849 1.886 1.00 60.22 C ATOM 1152 O PHE A 71 -0.256 -5.035 1.411 1.00 5.41 O ATOM 1153 CB PHE A 71 -3.371 -5.043 1.279 1.00 23.42 C ATOM 1154 CG PHE A 71 -4.698 -5.232 0.520 1.00 61.32 C ATOM 1155 CD1 PHE A 71 -4.809 -6.100 -0.571 1.00 74.21 C ATOM 1156 CD2 PHE A 71 -5.841 -4.526 0.900 1.00 42.31 C ATOM 1157 CE1 PHE A 71 -6.008 -6.252 -1.243 1.00 34.42 C ATOM 1158 CE2 PHE A 71 -7.037 -4.681 0.223 1.00 42.21 C ATOM 1159 CZ PHE A 71 -7.115 -5.546 -0.846 1.00 61.14 C ATOM 0 H PHE A 71 -3.784 -7.360 2.111 1.00 70.34 H new ATOM 0 HA PHE A 71 -2.087 -6.309 0.076 1.00 55.14 H new ATOM 0 HB2 PHE A 71 -3.595 -4.916 2.338 1.00 23.42 H new ATOM 0 HB3 PHE A 71 -2.908 -4.117 0.938 1.00 23.42 H new ATOM 0 HD1 PHE A 71 -3.944 -6.661 -0.894 1.00 74.21 H new ATOM 0 HD2 PHE A 71 -5.790 -3.846 1.738 1.00 42.31 H new ATOM 0 HE1 PHE A 71 -6.073 -6.928 -2.083 1.00 34.42 H new ATOM 0 HE2 PHE A 71 -7.909 -4.124 0.532 1.00 42.21 H new ATOM 0 HZ PHE A 71 -8.050 -5.669 -1.373 1.00 61.14 H new ATOM 1169 N ALA A 72 -0.860 -6.490 3.057 1.00 61.34 N ATOM 1170 CA ALA A 72 0.355 -6.327 3.873 1.00 11.35 C ATOM 1171 C ALA A 72 1.566 -6.834 3.092 1.00 3.12 C ATOM 1172 O ALA A 72 2.521 -6.099 2.891 1.00 13.23 O ATOM 1173 CB ALA A 72 0.236 -7.068 5.213 1.00 14.31 C ATOM 0 H ALA A 72 -1.543 -7.132 3.460 1.00 61.34 H new ATOM 0 HA ALA A 72 0.481 -5.267 4.094 1.00 11.35 H new ATOM 0 HB1 ALA A 72 1.150 -6.926 5.790 1.00 14.31 H new ATOM 0 HB2 ALA A 72 -0.611 -6.673 5.773 1.00 14.31 H new ATOM 0 HB3 ALA A 72 0.085 -8.132 5.028 1.00 14.31 H new ATOM 1179 N ALA A 73 1.468 -8.084 2.601 1.00 72.43 N ATOM 1180 CA ALA A 73 2.561 -8.752 1.864 1.00 61.12 C ATOM 1181 C ALA A 73 3.004 -7.919 0.640 1.00 13.53 C ATOM 1182 O ALA A 73 4.198 -7.649 0.464 1.00 44.52 O ATOM 1183 CB ALA A 73 2.123 -10.163 1.438 1.00 65.25 C ATOM 0 H ALA A 73 0.632 -8.659 2.703 1.00 72.43 H new ATOM 0 HA ALA A 73 3.421 -8.837 2.529 1.00 61.12 H new ATOM 0 HB1 ALA A 73 2.935 -10.648 0.896 1.00 65.25 H new ATOM 0 HB2 ALA A 73 1.876 -10.750 2.323 1.00 65.25 H new ATOM 0 HB3 ALA A 73 1.247 -10.093 0.793 1.00 65.25 H new ATOM 1189 N ILE A 74 2.003 -7.455 -0.140 1.00 50.11 N ATOM 1190 CA ILE A 74 2.225 -6.663 -1.369 1.00 73.31 C ATOM 1191 C ILE A 74 2.904 -5.309 -1.026 1.00 1.42 C ATOM 1192 O ILE A 74 3.875 -4.918 -1.677 1.00 50.52 O ATOM 1193 CB ILE A 74 0.868 -6.411 -2.144 1.00 22.54 C ATOM 1194 CG1 ILE A 74 0.090 -7.754 -2.369 1.00 20.04 C ATOM 1195 CG2 ILE A 74 1.120 -5.691 -3.498 1.00 3.41 C ATOM 1196 CD1 ILE A 74 -1.268 -7.610 -3.047 1.00 23.51 C ATOM 0 H ILE A 74 1.018 -7.619 0.065 1.00 50.11 H new ATOM 0 HA ILE A 74 2.885 -7.236 -2.020 1.00 73.31 H new ATOM 0 HB ILE A 74 0.251 -5.760 -1.525 1.00 22.54 H new ATOM 0 HG12 ILE A 74 0.710 -8.419 -2.971 1.00 20.04 H new ATOM 0 HG13 ILE A 74 -0.053 -8.239 -1.403 1.00 20.04 H new ATOM 0 HG21 ILE A 74 0.170 -5.531 -4.008 1.00 3.41 H new ATOM 0 HG22 ILE A 74 1.600 -4.729 -3.315 1.00 3.41 H new ATOM 0 HG23 ILE A 74 1.768 -6.306 -4.122 1.00 3.41 H new ATOM 0 HD11 ILE A 74 -1.726 -8.593 -3.157 1.00 23.51 H new ATOM 0 HD12 ILE A 74 -1.913 -6.976 -2.439 1.00 23.51 H new ATOM 0 HD13 ILE A 74 -1.138 -7.158 -4.030 1.00 23.51 H new ATOM 1208 N LEU A 75 2.398 -4.640 0.038 1.00 73.22 N ATOM 1209 CA LEU A 75 2.871 -3.300 0.484 1.00 74.21 C ATOM 1210 C LEU A 75 4.351 -3.379 0.954 1.00 12.34 C ATOM 1211 O LEU A 75 5.171 -2.512 0.621 1.00 31.30 O ATOM 1212 CB LEU A 75 1.935 -2.761 1.629 1.00 54.42 C ATOM 1213 CG LEU A 75 1.699 -1.208 1.711 1.00 30.41 C ATOM 1214 CD1 LEU A 75 0.683 -0.855 2.828 1.00 44.35 C ATOM 1215 CD2 LEU A 75 3.009 -0.424 1.887 1.00 63.04 C ATOM 0 H LEU A 75 1.646 -5.014 0.617 1.00 73.22 H new ATOM 0 HA LEU A 75 2.826 -2.603 -0.353 1.00 74.21 H new ATOM 0 HB2 LEU A 75 0.963 -3.243 1.522 1.00 54.42 H new ATOM 0 HB3 LEU A 75 2.349 -3.088 2.583 1.00 54.42 H new ATOM 0 HG LEU A 75 1.275 -0.903 0.754 1.00 30.41 H new ATOM 0 HD11 LEU A 75 0.540 0.225 2.861 1.00 44.35 H new ATOM 0 HD12 LEU A 75 -0.270 -1.341 2.620 1.00 44.35 H new ATOM 0 HD13 LEU A 75 1.064 -1.200 3.789 1.00 44.35 H new ATOM 0 HD21 LEU A 75 2.791 0.643 1.938 1.00 63.04 H new ATOM 0 HD22 LEU A 75 3.500 -0.738 2.808 1.00 63.04 H new ATOM 0 HD23 LEU A 75 3.667 -0.620 1.040 1.00 63.04 H new ATOM 1227 N ILE A 76 4.671 -4.445 1.711 1.00 23.20 N ATOM 1228 CA ILE A 76 6.030 -4.703 2.231 1.00 60.13 C ATOM 1229 C ILE A 76 7.013 -4.929 1.061 1.00 11.23 C ATOM 1230 O ILE A 76 8.139 -4.442 1.110 1.00 71.21 O ATOM 1231 CB ILE A 76 6.029 -5.926 3.260 1.00 74.52 C ATOM 1232 CG1 ILE A 76 5.667 -5.452 4.712 1.00 22.53 C ATOM 1233 CG2 ILE A 76 7.367 -6.722 3.286 1.00 55.31 C ATOM 1234 CD1 ILE A 76 4.355 -4.714 4.871 1.00 74.11 C ATOM 0 H ILE A 76 3.992 -5.156 1.981 1.00 23.20 H new ATOM 0 HA ILE A 76 6.368 -3.827 2.784 1.00 60.13 H new ATOM 0 HB ILE A 76 5.259 -6.606 2.896 1.00 74.52 H new ATOM 0 HG12 ILE A 76 5.648 -6.327 5.362 1.00 22.53 H new ATOM 0 HG13 ILE A 76 6.468 -4.806 5.070 1.00 22.53 H new ATOM 0 HG21 ILE A 76 7.292 -7.536 4.007 1.00 55.31 H new ATOM 0 HG22 ILE A 76 7.566 -7.131 2.296 1.00 55.31 H new ATOM 0 HG23 ILE A 76 8.181 -6.056 3.574 1.00 55.31 H new ATOM 0 HD11 ILE A 76 4.217 -4.439 5.917 1.00 74.11 H new ATOM 0 HD12 ILE A 76 4.367 -3.813 4.257 1.00 74.11 H new ATOM 0 HD13 ILE A 76 3.535 -5.358 4.554 1.00 74.11 H new ATOM 1246 N LYS A 77 6.554 -5.632 0.004 1.00 64.01 N ATOM 1247 CA LYS A 77 7.365 -5.880 -1.209 1.00 23.15 C ATOM 1248 C LYS A 77 7.658 -4.572 -1.985 1.00 61.11 C ATOM 1249 O LYS A 77 8.772 -4.409 -2.506 1.00 0.12 O ATOM 1250 CB LYS A 77 6.681 -6.918 -2.132 1.00 31.13 C ATOM 1251 CG LYS A 77 6.580 -8.332 -1.517 1.00 42.42 C ATOM 1252 CD LYS A 77 5.954 -9.361 -2.483 1.00 21.04 C ATOM 1253 CE LYS A 77 6.810 -9.580 -3.742 1.00 61.13 C ATOM 1254 NZ LYS A 77 6.223 -10.602 -4.656 1.00 34.32 N ATOM 0 H LYS A 77 5.620 -6.041 -0.034 1.00 64.01 H new ATOM 0 HA LYS A 77 8.320 -6.288 -0.878 1.00 23.15 H new ATOM 0 HB2 LYS A 77 5.679 -6.567 -2.377 1.00 31.13 H new ATOM 0 HB3 LYS A 77 7.236 -6.978 -3.068 1.00 31.13 H new ATOM 0 HG2 LYS A 77 7.575 -8.670 -1.229 1.00 42.42 H new ATOM 0 HG3 LYS A 77 5.983 -8.285 -0.606 1.00 42.42 H new ATOM 0 HD2 LYS A 77 5.826 -10.311 -1.964 1.00 21.04 H new ATOM 0 HD3 LYS A 77 4.961 -9.022 -2.777 1.00 21.04 H new ATOM 0 HE2 LYS A 77 6.915 -8.636 -4.276 1.00 61.13 H new ATOM 0 HE3 LYS A 77 7.812 -9.892 -3.447 1.00 61.13 H new ATOM 0 HZ1 LYS A 77 6.835 -10.715 -5.489 1.00 34.32 H new ATOM 0 HZ2 LYS A 77 6.147 -11.511 -4.157 1.00 34.32 H new ATOM 0 HZ3 LYS A 77 5.277 -10.294 -4.960 1.00 34.32 H new ATOM 1268 N VAL A 78 6.671 -3.652 -2.028 1.00 3.23 N ATOM 1269 CA VAL A 78 6.839 -2.302 -2.624 1.00 31.44 C ATOM 1270 C VAL A 78 7.988 -1.555 -1.915 1.00 63.44 C ATOM 1271 O VAL A 78 8.922 -1.063 -2.557 1.00 40.34 O ATOM 1272 CB VAL A 78 5.494 -1.472 -2.530 1.00 14.14 C ATOM 1273 CG1 VAL A 78 5.655 -0.022 -3.042 1.00 52.44 C ATOM 1274 CG2 VAL A 78 4.358 -2.195 -3.282 1.00 42.51 C ATOM 0 H VAL A 78 5.737 -3.820 -1.653 1.00 3.23 H new ATOM 0 HA VAL A 78 7.089 -2.416 -3.679 1.00 31.44 H new ATOM 0 HB VAL A 78 5.233 -1.406 -1.474 1.00 14.14 H new ATOM 0 HG11 VAL A 78 4.703 0.502 -2.955 1.00 52.44 H new ATOM 0 HG12 VAL A 78 6.409 0.493 -2.446 1.00 52.44 H new ATOM 0 HG13 VAL A 78 5.967 -0.037 -4.086 1.00 52.44 H new ATOM 0 HG21 VAL A 78 3.442 -1.610 -3.206 1.00 42.51 H new ATOM 0 HG22 VAL A 78 4.631 -2.308 -4.331 1.00 42.51 H new ATOM 0 HG23 VAL A 78 4.198 -3.179 -2.841 1.00 42.51 H new ATOM 1284 N TYR A 79 7.923 -1.554 -0.574 1.00 11.20 N ATOM 1285 CA TYR A 79 8.940 -0.932 0.304 1.00 32.34 C ATOM 1286 C TYR A 79 10.252 -1.743 0.339 1.00 24.43 C ATOM 1287 O TYR A 79 11.296 -1.211 0.718 1.00 41.11 O ATOM 1288 CB TYR A 79 8.362 -0.738 1.736 1.00 21.42 C ATOM 1289 CG TYR A 79 7.516 0.531 1.927 1.00 12.41 C ATOM 1290 CD1 TYR A 79 6.473 0.851 1.054 1.00 14.23 C ATOM 1291 CD2 TYR A 79 7.778 1.424 2.978 1.00 42.23 C ATOM 1292 CE1 TYR A 79 5.727 1.999 1.223 1.00 12.24 C ATOM 1293 CE2 TYR A 79 7.033 2.572 3.142 1.00 12.13 C ATOM 1294 CZ TYR A 79 6.011 2.854 2.266 1.00 42.30 C ATOM 1295 OH TYR A 79 5.272 4.001 2.425 1.00 74.51 O ATOM 0 H TYR A 79 7.157 -1.988 -0.059 1.00 11.20 H new ATOM 0 HA TYR A 79 9.187 0.045 -0.112 1.00 32.34 H new ATOM 0 HB2 TYR A 79 7.751 -1.605 1.986 1.00 21.42 H new ATOM 0 HB3 TYR A 79 9.189 -0.716 2.446 1.00 21.42 H new ATOM 0 HD1 TYR A 79 6.247 0.188 0.232 1.00 14.23 H new ATOM 0 HD2 TYR A 79 8.578 1.208 3.671 1.00 42.23 H new ATOM 0 HE1 TYR A 79 4.922 2.227 0.540 1.00 12.24 H new ATOM 0 HE2 TYR A 79 7.251 3.248 3.956 1.00 12.13 H new ATOM 0 HH TYR A 79 4.564 4.031 1.748 1.00 74.51 H new ATOM 1305 N ALA A 80 10.184 -3.028 -0.046 1.00 12.52 N ATOM 1306 CA ALA A 80 11.363 -3.913 -0.115 1.00 3.12 C ATOM 1307 C ALA A 80 12.225 -3.585 -1.337 1.00 30.43 C ATOM 1308 O ALA A 80 13.443 -3.759 -1.317 1.00 15.33 O ATOM 1309 CB ALA A 80 10.936 -5.384 -0.115 1.00 0.32 C ATOM 0 H ALA A 80 9.313 -3.484 -0.318 1.00 12.52 H new ATOM 0 HA ALA A 80 11.971 -3.740 0.773 1.00 3.12 H new ATOM 0 HB1 ALA A 80 11.820 -6.019 -0.166 1.00 0.32 H new ATOM 0 HB2 ALA A 80 10.384 -5.603 0.799 1.00 0.32 H new ATOM 0 HB3 ALA A 80 10.299 -5.578 -0.978 1.00 0.32 H new ATOM 1315 N GLU A 81 11.558 -3.113 -2.400 1.00 30.41 N ATOM 1316 CA GLU A 81 12.216 -2.606 -3.617 1.00 52.42 C ATOM 1317 C GLU A 81 12.751 -1.170 -3.389 1.00 2.31 C ATOM 1318 O GLU A 81 13.710 -0.743 -4.036 1.00 64.32 O ATOM 1319 CB GLU A 81 11.204 -2.646 -4.788 1.00 34.23 C ATOM 1320 CG GLU A 81 10.664 -4.064 -5.090 1.00 44.43 C ATOM 1321 CD GLU A 81 9.476 -4.076 -6.064 1.00 22.02 C ATOM 1322 OE1 GLU A 81 8.314 -3.961 -5.612 1.00 65.23 O ATOM 1323 OE2 GLU A 81 9.693 -4.195 -7.286 1.00 51.30 O ATOM 0 H GLU A 81 10.540 -3.071 -2.442 1.00 30.41 H new ATOM 0 HA GLU A 81 13.071 -3.237 -3.862 1.00 52.42 H new ATOM 0 HB2 GLU A 81 10.366 -1.989 -4.556 1.00 34.23 H new ATOM 0 HB3 GLU A 81 11.682 -2.249 -5.684 1.00 34.23 H new ATOM 0 HG2 GLU A 81 11.470 -4.669 -5.505 1.00 44.43 H new ATOM 0 HG3 GLU A 81 10.361 -4.535 -4.155 1.00 44.43 H new ATOM 1330 N LEU A 82 12.112 -0.441 -2.453 1.00 41.52 N ATOM 1331 CA LEU A 82 12.522 0.922 -2.064 1.00 12.03 C ATOM 1332 C LEU A 82 13.668 0.895 -1.029 1.00 21.43 C ATOM 1333 O LEU A 82 14.478 1.827 -0.980 1.00 55.35 O ATOM 1334 CB LEU A 82 11.305 1.691 -1.481 1.00 23.02 C ATOM 1335 CG LEU A 82 10.129 1.926 -2.471 1.00 74.30 C ATOM 1336 CD1 LEU A 82 8.895 2.530 -1.766 1.00 1.40 C ATOM 1337 CD2 LEU A 82 10.581 2.791 -3.661 1.00 31.44 C ATOM 0 H LEU A 82 11.296 -0.782 -1.945 1.00 41.52 H new ATOM 0 HA LEU A 82 12.886 1.431 -2.956 1.00 12.03 H new ATOM 0 HB2 LEU A 82 10.928 1.141 -0.619 1.00 23.02 H new ATOM 0 HB3 LEU A 82 11.649 2.659 -1.116 1.00 23.02 H new ATOM 0 HG LEU A 82 9.825 0.954 -2.859 1.00 74.30 H new ATOM 0 HD11 LEU A 82 8.097 2.678 -2.493 1.00 1.40 H new ATOM 0 HD12 LEU A 82 8.553 1.850 -0.985 1.00 1.40 H new ATOM 0 HD13 LEU A 82 9.163 3.488 -1.321 1.00 1.40 H new ATOM 0 HD21 LEU A 82 9.742 2.942 -4.340 1.00 31.44 H new ATOM 0 HD22 LEU A 82 10.931 3.757 -3.297 1.00 31.44 H new ATOM 0 HD23 LEU A 82 11.390 2.288 -4.190 1.00 31.44 H new ATOM 1349 N GLY A 83 13.743 -0.188 -0.241 1.00 24.24 N ATOM 1350 CA GLY A 83 14.680 -0.283 0.881 1.00 21.20 C ATOM 1351 C GLY A 83 15.119 -1.715 1.139 1.00 74.23 C ATOM 1352 O GLY A 83 15.682 -2.360 0.247 1.00 73.21 O ATOM 0 H GLY A 83 13.159 -1.015 -0.365 1.00 24.24 H new ATOM 0 HA2 GLY A 83 15.556 0.333 0.675 1.00 21.20 H new ATOM 0 HA3 GLY A 83 14.212 0.120 1.779 1.00 21.20 H new ATOM 1356 N TYR A 84 14.864 -2.217 2.352 1.00 0.25 N ATOM 1357 CA TYR A 84 15.267 -3.567 2.781 1.00 42.13 C ATOM 1358 C TYR A 84 14.125 -4.551 2.538 1.00 25.04 C ATOM 1359 O TYR A 84 12.973 -4.152 2.541 1.00 30.53 O ATOM 1360 CB TYR A 84 15.641 -3.546 4.277 1.00 61.41 C ATOM 1361 CG TYR A 84 16.886 -2.709 4.600 1.00 13.14 C ATOM 1362 CD1 TYR A 84 16.831 -1.312 4.629 1.00 63.54 C ATOM 1363 CD2 TYR A 84 18.111 -3.314 4.883 1.00 14.12 C ATOM 1364 CE1 TYR A 84 17.949 -0.558 4.924 1.00 74.31 C ATOM 1365 CE2 TYR A 84 19.229 -2.563 5.182 1.00 74.33 C ATOM 1366 CZ TYR A 84 19.145 -1.187 5.202 1.00 33.54 C ATOM 1367 OH TYR A 84 20.260 -0.436 5.509 1.00 73.51 O ATOM 0 H TYR A 84 14.367 -1.695 3.073 1.00 0.25 H new ATOM 0 HA TYR A 84 16.134 -3.885 2.203 1.00 42.13 H new ATOM 0 HB2 TYR A 84 14.797 -3.156 4.846 1.00 61.41 H new ATOM 0 HB3 TYR A 84 15.807 -4.569 4.613 1.00 61.41 H new ATOM 0 HD1 TYR A 84 15.897 -0.814 4.417 1.00 63.54 H new ATOM 0 HD2 TYR A 84 18.185 -4.391 4.868 1.00 14.12 H new ATOM 0 HE1 TYR A 84 17.888 0.520 4.937 1.00 74.31 H new ATOM 0 HE2 TYR A 84 20.167 -3.052 5.400 1.00 74.33 H new ATOM 0 HH TYR A 84 21.019 -1.032 5.680 1.00 73.51 H new ATOM 1377 N ASN A 85 14.463 -5.842 2.379 1.00 2.42 N ATOM 1378 CA ASN A 85 13.474 -6.913 2.109 1.00 24.10 C ATOM 1379 C ASN A 85 12.478 -7.025 3.282 1.00 1.24 C ATOM 1380 O ASN A 85 11.262 -7.188 3.077 1.00 31.13 O ATOM 1381 CB ASN A 85 14.197 -8.273 1.859 1.00 53.33 C ATOM 1382 CG ASN A 85 15.020 -8.350 0.548 1.00 42.23 C ATOM 1383 OD1 ASN A 85 15.545 -7.228 0.055 1.00 70.31 O flip ATOM 1384 ND2 ASN A 85 15.179 -9.433 -0.022 1.00 55.31 N flip ATOM 0 H ASN A 85 15.425 -6.177 2.433 1.00 2.42 H new ATOM 0 HA ASN A 85 12.916 -6.658 1.208 1.00 24.10 H new ATOM 0 HB2 ASN A 85 14.862 -8.473 2.699 1.00 53.33 H new ATOM 0 HB3 ASN A 85 13.450 -9.067 1.848 1.00 53.33 H new ATOM 0 HD21 ASN A 85 14.770 -10.281 0.370 1.00 55.31 H new ATOM 0 HD22 ASN A 85 15.720 -9.480 -0.886 1.00 55.31 H new ATOM 1391 N ASP A 86 13.020 -6.899 4.505 1.00 61.22 N ATOM 1392 CA ASP A 86 12.236 -6.900 5.743 1.00 13.55 C ATOM 1393 C ASP A 86 11.709 -5.484 6.016 1.00 23.52 C ATOM 1394 O ASP A 86 12.485 -4.570 6.310 1.00 22.02 O ATOM 1395 CB ASP A 86 13.095 -7.386 6.937 1.00 11.23 C ATOM 1396 CG ASP A 86 13.635 -8.812 6.756 1.00 43.32 C ATOM 1397 OD1 ASP A 86 12.914 -9.779 7.082 1.00 71.42 O ATOM 1398 OD2 ASP A 86 14.774 -8.972 6.266 1.00 61.32 O ATOM 0 H ASP A 86 14.023 -6.793 4.659 1.00 61.22 H new ATOM 0 HA ASP A 86 11.396 -7.585 5.626 1.00 13.55 H new ATOM 0 HB2 ASP A 86 13.933 -6.702 7.075 1.00 11.23 H new ATOM 0 HB3 ASP A 86 12.496 -7.344 7.847 1.00 11.23 H new ATOM 1403 N ILE A 87 10.394 -5.312 5.862 1.00 0.40 N ATOM 1404 CA ILE A 87 9.666 -4.071 6.179 1.00 20.21 C ATOM 1405 C ILE A 87 8.532 -4.442 7.157 1.00 70.30 C ATOM 1406 O ILE A 87 7.897 -5.483 6.970 1.00 43.22 O ATOM 1407 CB ILE A 87 9.085 -3.421 4.860 1.00 63.31 C ATOM 1408 CG1 ILE A 87 10.227 -3.083 3.843 1.00 45.24 C ATOM 1409 CG2 ILE A 87 8.223 -2.173 5.153 1.00 34.14 C ATOM 1410 CD1 ILE A 87 11.196 -1.982 4.274 1.00 13.23 C ATOM 0 H ILE A 87 9.786 -6.049 5.504 1.00 0.40 H new ATOM 0 HA ILE A 87 10.331 -3.337 6.633 1.00 20.21 H new ATOM 0 HB ILE A 87 8.431 -4.165 4.405 1.00 63.31 H new ATOM 0 HG12 ILE A 87 10.799 -3.991 3.653 1.00 45.24 H new ATOM 0 HG13 ILE A 87 9.771 -2.790 2.897 1.00 45.24 H new ATOM 0 HG21 ILE A 87 7.847 -1.762 4.216 1.00 34.14 H new ATOM 0 HG22 ILE A 87 7.384 -2.452 5.790 1.00 34.14 H new ATOM 0 HG23 ILE A 87 8.830 -1.423 5.660 1.00 34.14 H new ATOM 0 HD11 ILE A 87 11.944 -1.831 3.496 1.00 13.23 H new ATOM 0 HD12 ILE A 87 10.646 -1.055 4.433 1.00 13.23 H new ATOM 0 HD13 ILE A 87 11.690 -2.274 5.201 1.00 13.23 H new ATOM 1422 N ASN A 88 8.274 -3.620 8.194 1.00 35.44 N ATOM 1423 CA ASN A 88 7.303 -3.980 9.253 1.00 64.01 C ATOM 1424 C ASN A 88 5.879 -3.518 8.888 1.00 11.12 C ATOM 1425 O ASN A 88 5.692 -2.467 8.272 1.00 21.44 O ATOM 1426 CB ASN A 88 7.731 -3.414 10.642 1.00 63.41 C ATOM 1427 CG ASN A 88 7.822 -1.880 10.712 1.00 51.12 C ATOM 1428 OD1 ASN A 88 6.828 -1.187 10.940 1.00 20.30 O ATOM 1429 ND2 ASN A 88 9.020 -1.346 10.565 1.00 30.13 N ATOM 0 H ASN A 88 8.718 -2.711 8.323 1.00 35.44 H new ATOM 0 HA ASN A 88 7.296 -5.067 9.327 1.00 64.01 H new ATOM 0 HB2 ASN A 88 7.020 -3.757 11.393 1.00 63.41 H new ATOM 0 HB3 ASN A 88 8.701 -3.834 10.907 1.00 63.41 H new ATOM 0 HD21 ASN A 88 9.141 -0.336 10.639 1.00 30.13 H new ATOM 0 HD22 ASN A 88 9.825 -1.943 10.377 1.00 30.13 H new ATOM 1436 N VAL A 89 4.887 -4.331 9.295 1.00 30.24 N ATOM 1437 CA VAL A 89 3.457 -4.086 9.033 1.00 74.34 C ATOM 1438 C VAL A 89 2.857 -3.311 10.217 1.00 20.23 C ATOM 1439 O VAL A 89 2.944 -3.776 11.360 1.00 34.11 O ATOM 1440 CB VAL A 89 2.656 -5.445 8.868 1.00 41.05 C ATOM 1441 CG1 VAL A 89 1.179 -5.203 8.473 1.00 12.31 C ATOM 1442 CG2 VAL A 89 3.341 -6.382 7.857 1.00 72.41 C ATOM 0 H VAL A 89 5.058 -5.187 9.822 1.00 30.24 H new ATOM 0 HA VAL A 89 3.375 -3.517 8.107 1.00 74.34 H new ATOM 0 HB VAL A 89 2.661 -5.933 9.843 1.00 41.05 H new ATOM 0 HG11 VAL A 89 0.668 -6.160 8.371 1.00 12.31 H new ATOM 0 HG12 VAL A 89 0.688 -4.611 9.245 1.00 12.31 H new ATOM 0 HG13 VAL A 89 1.139 -4.667 7.525 1.00 12.31 H new ATOM 0 HG21 VAL A 89 2.766 -7.304 7.768 1.00 72.41 H new ATOM 0 HG22 VAL A 89 3.394 -5.892 6.885 1.00 72.41 H new ATOM 0 HG23 VAL A 89 4.349 -6.615 8.201 1.00 72.41 H new ATOM 1452 N THR A 90 2.278 -2.131 9.956 1.00 23.03 N ATOM 1453 CA THR A 90 1.531 -1.386 10.974 1.00 43.24 C ATOM 1454 C THR A 90 0.065 -1.298 10.520 1.00 25.44 C ATOM 1455 O THR A 90 -0.275 -0.541 9.603 1.00 3.10 O ATOM 1456 CB THR A 90 2.153 0.033 11.175 1.00 1.21 C ATOM 1457 OG1 THR A 90 3.562 -0.087 11.448 1.00 43.03 O ATOM 1458 CG2 THR A 90 1.478 0.815 12.315 1.00 73.31 C ATOM 0 H THR A 90 2.314 -1.672 9.046 1.00 23.03 H new ATOM 0 HA THR A 90 1.582 -1.897 11.936 1.00 43.24 H new ATOM 0 HB THR A 90 1.990 0.589 10.252 1.00 1.21 H new ATOM 0 HG1 THR A 90 3.948 0.805 11.572 1.00 43.03 H new ATOM 0 HG21 THR A 90 1.948 1.794 12.413 1.00 73.31 H new ATOM 0 HG22 THR A 90 0.419 0.941 12.092 1.00 73.31 H new ATOM 0 HG23 THR A 90 1.589 0.265 13.249 1.00 73.31 H new ATOM 1466 N TRP A 91 -0.790 -2.105 11.164 1.00 5.25 N ATOM 1467 CA TRP A 91 -2.213 -2.238 10.823 1.00 72.03 C ATOM 1468 C TRP A 91 -3.045 -1.480 11.861 1.00 35.12 C ATOM 1469 O TRP A 91 -3.157 -1.909 13.013 1.00 61.10 O ATOM 1470 CB TRP A 91 -2.586 -3.743 10.759 1.00 70.34 C ATOM 1471 CG TRP A 91 -4.034 -4.045 10.433 1.00 44.13 C ATOM 1472 CD1 TRP A 91 -4.822 -3.442 9.494 1.00 54.50 C ATOM 1473 CD2 TRP A 91 -4.843 -5.069 11.033 1.00 41.03 C ATOM 1474 NE1 TRP A 91 -6.070 -4.006 9.498 1.00 51.23 N ATOM 1475 CE2 TRP A 91 -6.108 -5.009 10.429 1.00 70.24 C ATOM 1476 CE3 TRP A 91 -4.616 -6.025 12.029 1.00 52.04 C ATOM 1477 CZ2 TRP A 91 -7.144 -5.869 10.783 1.00 62.53 C ATOM 1478 CZ3 TRP A 91 -5.645 -6.878 12.383 1.00 54.23 C ATOM 1479 CH2 TRP A 91 -6.895 -6.795 11.761 1.00 13.11 C ATOM 0 H TRP A 91 -0.508 -2.693 11.948 1.00 5.25 H new ATOM 0 HA TRP A 91 -2.421 -1.805 9.844 1.00 72.03 H new ATOM 0 HB2 TRP A 91 -1.956 -4.224 10.011 1.00 70.34 H new ATOM 0 HB3 TRP A 91 -2.345 -4.200 11.719 1.00 70.34 H new ATOM 0 HD1 TRP A 91 -4.507 -2.639 8.844 1.00 54.50 H new ATOM 0 HE1 TRP A 91 -6.848 -3.724 8.902 1.00 51.23 H new ATOM 0 HE3 TRP A 91 -3.653 -6.095 12.513 1.00 52.04 H new ATOM 0 HZ2 TRP A 91 -8.110 -5.808 10.303 1.00 62.53 H new ATOM 0 HZ3 TRP A 91 -5.481 -7.619 13.151 1.00 54.23 H new ATOM 0 HH2 TRP A 91 -7.680 -7.475 12.058 1.00 13.11 H new ATOM 1490 N ASP A 92 -3.588 -0.338 11.433 1.00 31.13 N ATOM 1491 CA ASP A 92 -4.384 0.566 12.283 1.00 31.10 C ATOM 1492 C ASP A 92 -5.745 -0.060 12.620 1.00 43.31 C ATOM 1493 O ASP A 92 -6.185 -0.045 13.777 1.00 41.12 O ATOM 1494 CB ASP A 92 -4.591 1.917 11.551 1.00 74.04 C ATOM 1495 CG ASP A 92 -3.261 2.572 11.145 1.00 4.42 C ATOM 1496 OD1 ASP A 92 -2.687 2.174 10.102 1.00 34.34 O ATOM 1497 OD2 ASP A 92 -2.767 3.454 11.883 1.00 61.41 O ATOM 0 H ASP A 92 -3.489 -0.006 10.474 1.00 31.13 H new ATOM 0 HA ASP A 92 -3.845 0.734 13.215 1.00 31.10 H new ATOM 0 HB2 ASP A 92 -5.200 1.756 10.662 1.00 74.04 H new ATOM 0 HB3 ASP A 92 -5.145 2.597 12.198 1.00 74.04 H new ATOM 1502 N GLY A 93 -6.389 -0.619 11.587 1.00 23.05 N ATOM 1503 CA GLY A 93 -7.713 -1.226 11.707 1.00 64.25 C ATOM 1504 C GLY A 93 -8.410 -1.283 10.359 1.00 21.01 C ATOM 1505 O GLY A 93 -8.355 -2.303 9.667 1.00 31.44 O ATOM 0 H GLY A 93 -6.002 -0.661 10.644 1.00 23.05 H new ATOM 0 HA2 GLY A 93 -7.620 -2.232 12.115 1.00 64.25 H new ATOM 0 HA3 GLY A 93 -8.318 -0.652 12.409 1.00 64.25 H new ATOM 1509 N ASP A 94 -9.047 -0.164 9.969 1.00 40.01 N ATOM 1510 CA ASP A 94 -9.727 -0.040 8.660 1.00 35.11 C ATOM 1511 C ASP A 94 -8.702 0.125 7.524 1.00 5.43 C ATOM 1512 O ASP A 94 -9.031 -0.018 6.344 1.00 10.20 O ATOM 1513 CB ASP A 94 -10.731 1.149 8.658 1.00 13.00 C ATOM 1514 CG ASP A 94 -10.046 2.524 8.590 1.00 72.21 C ATOM 1515 OD1 ASP A 94 -9.330 2.884 9.549 1.00 31.24 O ATOM 1516 OD2 ASP A 94 -10.194 3.239 7.573 1.00 2.10 O ATOM 0 H ASP A 94 -9.107 0.676 10.545 1.00 40.01 H new ATOM 0 HA ASP A 94 -10.288 -0.959 8.491 1.00 35.11 H new ATOM 0 HB2 ASP A 94 -11.405 1.044 7.808 1.00 13.00 H new ATOM 0 HB3 ASP A 94 -11.343 1.100 9.559 1.00 13.00 H new ATOM 1521 N THR A 95 -7.461 0.444 7.917 1.00 14.02 N ATOM 1522 CA THR A 95 -6.335 0.694 7.019 1.00 11.21 C ATOM 1523 C THR A 95 -5.037 0.132 7.643 1.00 41.23 C ATOM 1524 O THR A 95 -4.927 0.013 8.870 1.00 1.51 O ATOM 1525 CB THR A 95 -6.185 2.234 6.742 1.00 63.43 C ATOM 1526 OG1 THR A 95 -6.564 2.973 7.919 1.00 11.31 O ATOM 1527 CG2 THR A 95 -7.014 2.722 5.532 1.00 61.21 C ATOM 0 H THR A 95 -7.210 0.537 8.901 1.00 14.02 H new ATOM 0 HA THR A 95 -6.521 0.192 6.070 1.00 11.21 H new ATOM 0 HB THR A 95 -5.138 2.411 6.496 1.00 63.43 H new ATOM 0 HG1 THR A 95 -6.469 3.933 7.747 1.00 11.31 H new ATOM 0 HG21 THR A 95 -6.865 3.793 5.397 1.00 61.21 H new ATOM 0 HG22 THR A 95 -6.692 2.195 4.634 1.00 61.21 H new ATOM 0 HG23 THR A 95 -8.071 2.523 5.711 1.00 61.21 H new ATOM 1535 N VAL A 96 -4.092 -0.264 6.774 1.00 22.24 N ATOM 1536 CA VAL A 96 -2.735 -0.676 7.156 1.00 44.34 C ATOM 1537 C VAL A 96 -1.735 0.370 6.608 1.00 3.11 C ATOM 1538 O VAL A 96 -1.546 0.495 5.391 1.00 13.14 O ATOM 1539 CB VAL A 96 -2.399 -2.142 6.634 1.00 33.05 C ATOM 1540 CG1 VAL A 96 -2.579 -2.301 5.097 1.00 2.22 C ATOM 1541 CG2 VAL A 96 -0.994 -2.601 7.082 1.00 55.51 C ATOM 0 H VAL A 96 -4.255 -0.307 5.768 1.00 22.24 H new ATOM 0 HA VAL A 96 -2.658 -0.717 8.243 1.00 44.34 H new ATOM 0 HB VAL A 96 -3.133 -2.799 7.100 1.00 33.05 H new ATOM 0 HG11 VAL A 96 -2.334 -3.322 4.806 1.00 2.22 H new ATOM 0 HG12 VAL A 96 -3.613 -2.085 4.827 1.00 2.22 H new ATOM 0 HG13 VAL A 96 -1.916 -1.607 4.579 1.00 2.22 H new ATOM 0 HG21 VAL A 96 -0.802 -3.606 6.706 1.00 55.51 H new ATOM 0 HG22 VAL A 96 -0.244 -1.916 6.686 1.00 55.51 H new ATOM 0 HG23 VAL A 96 -0.943 -2.605 8.171 1.00 55.51 H new ATOM 1551 N THR A 97 -1.136 1.173 7.506 1.00 71.12 N ATOM 1552 CA THR A 97 -0.167 2.211 7.111 1.00 42.31 C ATOM 1553 C THR A 97 1.244 1.704 7.411 1.00 54.13 C ATOM 1554 O THR A 97 1.699 1.738 8.557 1.00 24.03 O ATOM 1555 CB THR A 97 -0.437 3.549 7.868 1.00 30.44 C ATOM 1556 OG1 THR A 97 -1.838 3.879 7.776 1.00 64.32 O ATOM 1557 CG2 THR A 97 0.393 4.722 7.309 1.00 45.55 C ATOM 0 H THR A 97 -1.306 1.123 8.510 1.00 71.12 H new ATOM 0 HA THR A 97 -0.271 2.412 6.045 1.00 42.31 H new ATOM 0 HB THR A 97 -0.141 3.398 8.906 1.00 30.44 H new ATOM 0 HG1 THR A 97 -2.334 3.394 8.468 1.00 64.32 H new ATOM 0 HG21 THR A 97 0.167 5.628 7.871 1.00 45.55 H new ATOM 0 HG22 THR A 97 1.455 4.493 7.401 1.00 45.55 H new ATOM 0 HG23 THR A 97 0.145 4.875 6.259 1.00 45.55 H new ATOM 1565 N VAL A 98 1.933 1.242 6.368 1.00 12.13 N ATOM 1566 CA VAL A 98 3.255 0.619 6.492 1.00 53.25 C ATOM 1567 C VAL A 98 4.358 1.639 6.193 1.00 71.32 C ATOM 1568 O VAL A 98 4.336 2.311 5.150 1.00 23.30 O ATOM 1569 CB VAL A 98 3.371 -0.634 5.550 1.00 14.30 C ATOM 1570 CG1 VAL A 98 4.823 -1.144 5.426 1.00 30.05 C ATOM 1571 CG2 VAL A 98 2.421 -1.759 6.028 1.00 70.51 C ATOM 0 H VAL A 98 1.590 1.288 5.408 1.00 12.13 H new ATOM 0 HA VAL A 98 3.381 0.276 7.519 1.00 53.25 H new ATOM 0 HB VAL A 98 3.066 -0.321 4.552 1.00 14.30 H new ATOM 0 HG11 VAL A 98 4.849 -2.010 4.765 1.00 30.05 H new ATOM 0 HG12 VAL A 98 5.452 -0.355 5.015 1.00 30.05 H new ATOM 0 HG13 VAL A 98 5.194 -1.428 6.411 1.00 30.05 H new ATOM 0 HG21 VAL A 98 2.513 -2.619 5.365 1.00 70.51 H new ATOM 0 HG22 VAL A 98 2.687 -2.053 7.043 1.00 70.51 H new ATOM 0 HG23 VAL A 98 1.393 -1.398 6.013 1.00 70.51 H new ATOM 1581 N GLU A 99 5.283 1.773 7.154 1.00 20.21 N ATOM 1582 CA GLU A 99 6.498 2.571 7.016 1.00 64.53 C ATOM 1583 C GLU A 99 7.562 1.983 7.953 1.00 2.23 C ATOM 1584 O GLU A 99 7.302 1.800 9.151 1.00 64.13 O ATOM 1585 CB GLU A 99 6.188 4.071 7.327 1.00 71.41 C ATOM 1586 CG GLU A 99 7.316 5.094 7.022 1.00 42.41 C ATOM 1587 CD GLU A 99 8.432 5.166 8.077 1.00 31.14 C ATOM 1588 OE1 GLU A 99 8.254 5.841 9.103 1.00 50.51 O ATOM 1589 OE2 GLU A 99 9.509 4.570 7.868 1.00 21.43 O ATOM 0 H GLU A 99 5.201 1.319 8.064 1.00 20.21 H new ATOM 0 HA GLU A 99 6.879 2.537 5.995 1.00 64.53 H new ATOM 0 HB2 GLU A 99 5.304 4.360 6.759 1.00 71.41 H new ATOM 0 HB3 GLU A 99 5.930 4.153 8.383 1.00 71.41 H new ATOM 0 HG2 GLU A 99 7.762 4.843 6.060 1.00 42.41 H new ATOM 0 HG3 GLU A 99 6.870 6.083 6.919 1.00 42.41 H new ATOM 1596 N GLY A 100 8.746 1.667 7.399 1.00 3.42 N ATOM 1597 CA GLY A 100 9.927 1.343 8.202 1.00 23.43 C ATOM 1598 C GLY A 100 10.439 -0.068 8.004 1.00 13.11 C ATOM 1599 O GLY A 100 9.671 -0.974 7.684 1.00 31.13 O ATOM 0 H GLY A 100 8.905 1.631 6.392 1.00 3.42 H new ATOM 0 HA2 GLY A 100 10.724 2.045 7.957 1.00 23.43 H new ATOM 0 HA3 GLY A 100 9.688 1.487 9.256 1.00 23.43 H new ATOM 1603 N GLN A 101 11.747 -0.246 8.231 1.00 23.22 N ATOM 1604 CA GLN A 101 12.432 -1.539 8.136 1.00 33.45 C ATOM 1605 C GLN A 101 12.135 -2.396 9.380 1.00 44.43 C ATOM 1606 O GLN A 101 11.944 -1.866 10.481 1.00 54.01 O ATOM 1607 CB GLN A 101 13.969 -1.311 8.016 1.00 62.25 C ATOM 1608 CG GLN A 101 14.799 -2.603 7.807 1.00 73.14 C ATOM 1609 CD GLN A 101 16.294 -2.457 8.118 1.00 30.35 C ATOM 1610 OE1 GLN A 101 16.866 -1.366 8.043 1.00 74.21 O ATOM 1611 NE2 GLN A 101 16.947 -3.566 8.412 1.00 25.10 N ATOM 0 H GLN A 101 12.369 0.520 8.491 1.00 23.22 H new ATOM 0 HA GLN A 101 12.070 -2.063 7.252 1.00 33.45 H new ATOM 0 HB2 GLN A 101 14.159 -0.634 7.183 1.00 62.25 H new ATOM 0 HB3 GLN A 101 14.320 -0.811 8.919 1.00 62.25 H new ATOM 0 HG2 GLN A 101 14.385 -3.391 8.436 1.00 73.14 H new ATOM 0 HG3 GLN A 101 14.686 -2.929 6.773 1.00 73.14 H new ATOM 0 HE21 GLN A 101 16.447 -4.453 8.467 1.00 25.10 H new ATOM 0 HE22 GLN A 101 17.952 -3.536 8.584 1.00 25.10 H new ATOM 1620 N LEU A 102 12.079 -3.715 9.192 1.00 1.13 N ATOM 1621 CA LEU A 102 12.048 -4.690 10.290 1.00 51.41 C ATOM 1622 C LEU A 102 13.441 -5.351 10.373 1.00 40.42 C ATOM 1623 O LEU A 102 14.031 -5.664 9.337 1.00 1.24 O ATOM 1624 CB LEU A 102 10.920 -5.728 10.033 1.00 23.52 C ATOM 1625 CG LEU A 102 10.615 -6.723 11.196 1.00 40.34 C ATOM 1626 CD1 LEU A 102 10.307 -5.989 12.520 1.00 61.43 C ATOM 1627 CD2 LEU A 102 9.458 -7.665 10.815 1.00 13.45 C ATOM 0 H LEU A 102 12.054 -4.143 8.267 1.00 1.13 H new ATOM 0 HA LEU A 102 11.829 -4.210 11.244 1.00 51.41 H new ATOM 0 HB2 LEU A 102 10.004 -5.186 9.798 1.00 23.52 H new ATOM 0 HB3 LEU A 102 11.184 -6.307 9.148 1.00 23.52 H new ATOM 0 HG LEU A 102 11.513 -7.319 11.357 1.00 40.34 H new ATOM 0 HD11 LEU A 102 10.101 -6.720 13.302 1.00 61.43 H new ATOM 0 HD12 LEU A 102 11.166 -5.382 12.808 1.00 61.43 H new ATOM 0 HD13 LEU A 102 9.437 -5.346 12.386 1.00 61.43 H new ATOM 0 HD21 LEU A 102 9.261 -8.351 11.639 1.00 13.45 H new ATOM 0 HD22 LEU A 102 8.563 -7.078 10.610 1.00 13.45 H new ATOM 0 HD23 LEU A 102 9.730 -8.234 9.926 1.00 13.45 H new ATOM 1639 N GLU A 103 13.986 -5.520 11.595 1.00 34.43 N ATOM 1640 CA GLU A 103 15.358 -6.049 11.789 1.00 34.32 C ATOM 1641 C GLU A 103 15.540 -6.586 13.221 1.00 10.04 C ATOM 1642 O GLU A 103 14.823 -6.177 14.143 1.00 33.25 O ATOM 1643 CB GLU A 103 16.409 -4.940 11.470 1.00 71.13 C ATOM 1644 CG GLU A 103 17.888 -5.393 11.519 1.00 14.10 C ATOM 1645 CD GLU A 103 18.879 -4.297 11.100 1.00 44.30 C ATOM 1646 OE1 GLU A 103 19.132 -3.372 11.899 1.00 25.25 O ATOM 1647 OE2 GLU A 103 19.402 -4.342 9.963 1.00 11.44 O ATOM 0 H GLU A 103 13.500 -5.299 12.464 1.00 34.43 H new ATOM 0 HA GLU A 103 15.512 -6.880 11.101 1.00 34.32 H new ATOM 0 HB2 GLU A 103 16.202 -4.542 10.477 1.00 71.13 H new ATOM 0 HB3 GLU A 103 16.274 -4.121 12.177 1.00 71.13 H new ATOM 0 HG2 GLU A 103 18.126 -5.719 12.531 1.00 14.10 H new ATOM 0 HG3 GLU A 103 18.017 -6.257 10.867 1.00 14.10 H new ATOM 1654 N GLY A 104 16.502 -7.515 13.387 1.00 35.23 N ATOM 1655 CA GLY A 104 16.793 -8.143 14.675 1.00 60.12 C ATOM 1656 C GLY A 104 15.899 -9.341 14.922 1.00 73.11 C ATOM 1657 O GLY A 104 16.363 -10.490 14.946 1.00 73.53 O ATOM 0 H GLY A 104 17.095 -7.846 12.626 1.00 35.23 H new ATOM 0 HA2 GLY A 104 17.837 -8.455 14.701 1.00 60.12 H new ATOM 0 HA3 GLY A 104 16.657 -7.415 15.475 1.00 60.12 H new ATOM 1661 N VAL A 105 14.597 -9.067 15.086 1.00 73.12 N ATOM 1662 CA VAL A 105 13.556 -10.092 15.267 1.00 71.02 C ATOM 1663 C VAL A 105 12.534 -9.989 14.110 1.00 21.22 C ATOM 1664 O VAL A 105 12.233 -8.886 13.633 1.00 20.13 O ATOM 1665 CB VAL A 105 12.856 -9.944 16.677 1.00 1.31 C ATOM 1666 CG1 VAL A 105 12.195 -8.562 16.853 1.00 50.15 C ATOM 1667 CG2 VAL A 105 11.848 -11.090 16.951 1.00 41.41 C ATOM 0 H VAL A 105 14.231 -8.115 15.097 1.00 73.12 H new ATOM 0 HA VAL A 105 14.013 -11.081 15.243 1.00 71.02 H new ATOM 0 HB VAL A 105 13.646 -10.023 17.424 1.00 1.31 H new ATOM 0 HG11 VAL A 105 11.727 -8.505 17.836 1.00 50.15 H new ATOM 0 HG12 VAL A 105 12.952 -7.783 16.766 1.00 50.15 H new ATOM 0 HG13 VAL A 105 11.438 -8.420 16.082 1.00 50.15 H new ATOM 0 HG21 VAL A 105 11.392 -10.947 17.930 1.00 41.41 H new ATOM 0 HG22 VAL A 105 11.073 -11.083 16.185 1.00 41.41 H new ATOM 0 HG23 VAL A 105 12.370 -12.047 16.930 1.00 41.41 H new ATOM 1677 N ASP A 106 12.044 -11.150 13.642 1.00 34.50 N ATOM 1678 CA ASP A 106 11.014 -11.256 12.596 1.00 50.23 C ATOM 1679 C ASP A 106 10.154 -12.513 12.872 1.00 63.42 C ATOM 1680 O ASP A 106 10.639 -13.643 12.640 1.00 40.13 O ATOM 1681 CB ASP A 106 11.657 -11.286 11.173 1.00 30.31 C ATOM 1682 CG ASP A 106 10.652 -11.631 10.051 1.00 75.23 C ATOM 1683 OD1 ASP A 106 9.726 -10.825 9.797 1.00 31.52 O ATOM 1684 OD2 ASP A 106 10.758 -12.724 9.443 1.00 14.14 O ATOM 1685 OXT ASP A 106 8.999 -12.371 13.333 1.00 38.12 O ATOM 0 H ASP A 106 12.359 -12.057 13.987 1.00 34.50 H new ATOM 0 HA ASP A 106 10.370 -10.377 12.622 1.00 50.23 H new ATOM 0 HB2 ASP A 106 12.104 -10.314 10.964 1.00 30.31 H new ATOM 0 HB3 ASP A 106 12.466 -12.017 11.163 1.00 30.31 H new TER 1690 ASP A 106