USER MOD reduce.3.24.130724 H: found=0, std=0, add=1046, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1044 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 71 THR OG1 : rot 32:sc= -6.9! USER MOD Set 1.2: A 144 SER OG : rot 180:sc= -1.13 USER MOD Set 2.1: A 69 SER OG : rot -68:sc= -0.633! USER MOD Set 2.2: A 147 SER OG : rot -70:sc= 0.241! USER MOD Set 3.1: A 27 THR OG1 : rot 95:sc= -2.35! USER MOD Set 3.2: A 28 SER OG : rot 51:sc= -1.64! USER MOD Single : A 1 ALA N :NH3+ 168:sc= -0.0216 (180deg=-0.173) USER MOD Single : A 2 SER OG : rot 50:sc= -5.15! USER MOD Single : A 5 SER OG : rot -52:sc= 0.928! USER MOD Single : A 12 HIS : no HD1:sc= -4.49! C(o=-4.5!,f=-4.8!) USER MOD Single : A 13 THR OG1 : rot -66:sc= 0.0118 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.0309 USER MOD Single : A 37 MET CE :methyl -142:sc= -0.0552 (180deg=-0.181) USER MOD Single : A 45 GLN : amide:sc= -3.89! C(o=-3.9!,f=-3.9!) USER MOD Single : A 47 ASN :FLIP amide:sc= -10.6! C(o=-12!,f=-11!) USER MOD Single : A 55 TYR OH : rot -15:sc= -1.49! USER MOD Single : A 56 ASN :FLIP amide:sc= -3.13! F(o=-4.2,f=-3.1!) USER MOD Single : A 65 SER OG : rot 180:sc= -0.371 USER MOD Single : A 66 TYR OH : rot 108:sc= 1.29 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0106 USER MOD Single : A 78 MET CE :methyl -177:sc= 0 (180deg=-0.0135) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 172:sc= -0.422! USER MOD Single : A 97 GLN : amide:sc= -0.715 X(o=-0.72,f=-0.51) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.57 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0788 USER MOD Single : A 111 TYR OH : rot 15:sc= -0.0436 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0244 USER MOD Single : A 115 SER OG : rot 66:sc= -0.248! USER MOD Single : A 116 ASN : amide:sc= -2.03! C(o=-2!,f=-3.4!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 128 GLN : amide:sc= -0.69! C(o=-0.69!,f=-2.7!) USER MOD Single : A 132 HIS : no HD1:sc= -2.17 X(o=-2.2,f=-2.5) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 TYR OH : rot 48:sc= -5.24! USER MOD Single : A 145 GLN :FLIP amide:sc= -0.356 F(o=-1.4,f=-0.36) USER MOD Single : A 149 THR OG1 : rot -112:sc= -0.594! USER MOD Single : A 150 THR OG1 : rot -12:sc= 1.04 USER MOD Single : A 151 SER OG : rot 180:sc= 0 USER MOD Single : A 153 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -21.189 -11.245 -6.479 1.00 7.67 N ATOM 2 CA ALA A 1 -20.016 -11.699 -5.677 1.00 7.26 C ATOM 3 C ALA A 1 -18.794 -11.825 -6.588 1.00 6.17 C ATOM 4 O ALA A 1 -17.941 -12.664 -6.380 1.00 6.29 O ATOM 5 CB ALA A 1 -20.324 -13.064 -5.052 1.00 7.84 C ATOM 0 H1 ALA A 1 -22.057 -11.353 -5.916 1.00 7.67 H new ATOM 0 H2 ALA A 1 -21.066 -10.245 -6.738 1.00 7.67 H new ATOM 0 H3 ALA A 1 -21.263 -11.820 -7.342 1.00 7.67 H new ATOM 0 HA ALA A 1 -19.812 -10.973 -4.890 1.00 7.26 H new ATOM 0 HB1 ALA A 1 -19.468 -13.397 -4.466 1.00 7.84 H new ATOM 0 HB2 ALA A 1 -21.197 -12.979 -4.404 1.00 7.84 H new ATOM 0 HB3 ALA A 1 -20.527 -13.788 -5.841 1.00 7.84 H new ATOM 13 N SER A 2 -18.702 -11.004 -7.599 1.00 5.39 N ATOM 14 CA SER A 2 -17.535 -11.089 -8.522 1.00 4.56 C ATOM 15 C SER A 2 -17.391 -12.531 -9.009 1.00 4.01 C ATOM 16 O SER A 2 -17.723 -12.852 -10.133 1.00 4.55 O ATOM 17 CB SER A 2 -16.264 -10.671 -7.782 1.00 4.49 C ATOM 18 OG SER A 2 -16.353 -11.086 -6.426 1.00 4.84 O ATOM 0 H SER A 2 -19.383 -10.279 -7.825 1.00 5.39 H new ATOM 0 HA SER A 2 -17.689 -10.425 -9.372 1.00 4.56 H new ATOM 0 HB2 SER A 2 -15.390 -11.119 -8.255 1.00 4.49 H new ATOM 0 HB3 SER A 2 -16.137 -9.590 -7.836 1.00 4.49 H new ATOM 0 HG SER A 2 -16.615 -12.030 -6.389 1.00 4.84 H new ATOM 24 N LEU A 3 -16.919 -13.407 -8.166 1.00 3.24 N ATOM 25 CA LEU A 3 -16.776 -14.828 -8.577 1.00 3.21 C ATOM 26 C LEU A 3 -15.661 -14.964 -9.613 1.00 2.85 C ATOM 27 O LEU A 3 -14.741 -14.173 -9.661 1.00 2.94 O ATOM 28 CB LEU A 3 -18.097 -15.284 -9.190 1.00 3.84 C ATOM 29 CG LEU A 3 -18.295 -16.777 -8.934 1.00 4.60 C ATOM 30 CD1 LEU A 3 -18.839 -16.992 -7.520 1.00 5.53 C ATOM 31 CD2 LEU A 3 -19.288 -17.332 -9.957 1.00 5.12 C ATOM 0 H LEU A 3 -16.627 -13.199 -7.211 1.00 3.24 H new ATOM 0 HA LEU A 3 -16.526 -15.441 -7.711 1.00 3.21 H new ATOM 0 HB2 LEU A 3 -18.923 -14.719 -8.759 1.00 3.84 H new ATOM 0 HB3 LEU A 3 -18.099 -15.085 -10.262 1.00 3.84 H new ATOM 0 HG LEU A 3 -17.340 -17.294 -9.030 1.00 4.60 H new ATOM 0 HD11 LEU A 3 -18.979 -18.058 -7.342 1.00 5.53 H new ATOM 0 HD12 LEU A 3 -18.132 -16.592 -6.793 1.00 5.53 H new ATOM 0 HD13 LEU A 3 -19.795 -16.479 -7.416 1.00 5.53 H new ATOM 0 HD21 LEU A 3 -19.435 -18.398 -9.781 1.00 5.12 H new ATOM 0 HD22 LEU A 3 -20.241 -16.813 -9.857 1.00 5.12 H new ATOM 0 HD23 LEU A 3 -18.896 -17.181 -10.963 1.00 5.12 H new ATOM 43 N ASP A 4 -15.741 -15.964 -10.446 1.00 3.00 N ATOM 44 CA ASP A 4 -14.689 -16.154 -11.484 1.00 3.13 C ATOM 45 C ASP A 4 -14.350 -14.799 -12.105 1.00 2.79 C ATOM 46 O ASP A 4 -15.141 -13.877 -12.075 1.00 2.93 O ATOM 47 CB ASP A 4 -15.203 -17.103 -12.568 1.00 3.59 C ATOM 48 CG ASP A 4 -15.896 -18.300 -11.912 1.00 4.02 C ATOM 49 OD1 ASP A 4 -15.466 -18.696 -10.841 1.00 4.43 O ATOM 50 OD2 ASP A 4 -16.845 -18.802 -12.494 1.00 4.36 O ATOM 0 H ASP A 4 -16.489 -16.658 -10.453 1.00 3.00 H new ATOM 0 HA ASP A 4 -13.796 -16.582 -11.029 1.00 3.13 H new ATOM 0 HB2 ASP A 4 -15.900 -16.580 -13.223 1.00 3.59 H new ATOM 0 HB3 ASP A 4 -14.375 -17.444 -13.190 1.00 3.59 H new ATOM 55 N SER A 5 -13.182 -14.668 -12.667 1.00 2.77 N ATOM 56 CA SER A 5 -12.796 -13.370 -13.285 1.00 2.68 C ATOM 57 C SER A 5 -12.550 -12.334 -12.187 1.00 2.21 C ATOM 58 O SER A 5 -13.462 -11.905 -11.509 1.00 2.42 O ATOM 59 CB SER A 5 -13.924 -12.883 -14.195 1.00 2.93 C ATOM 60 OG SER A 5 -14.452 -11.669 -13.679 1.00 3.07 O ATOM 0 H SER A 5 -12.478 -15.404 -12.725 1.00 2.77 H new ATOM 0 HA SER A 5 -11.886 -13.505 -13.870 1.00 2.68 H new ATOM 0 HB2 SER A 5 -13.550 -12.729 -15.207 1.00 2.93 H new ATOM 0 HB3 SER A 5 -14.709 -13.637 -14.257 1.00 2.93 H new ATOM 0 HG SER A 5 -14.680 -11.787 -12.733 1.00 3.07 H new ATOM 66 N GLU A 6 -11.326 -11.925 -12.007 1.00 2.05 N ATOM 67 CA GLU A 6 -11.030 -10.915 -10.955 1.00 1.74 C ATOM 68 C GLU A 6 -11.583 -9.557 -11.392 1.00 1.28 C ATOM 69 O GLU A 6 -11.436 -9.154 -12.528 1.00 1.40 O ATOM 70 CB GLU A 6 -9.516 -10.812 -10.760 1.00 2.05 C ATOM 71 CG GLU A 6 -8.938 -12.207 -10.516 1.00 2.72 C ATOM 72 CD GLU A 6 -8.335 -12.746 -11.815 1.00 3.18 C ATOM 73 OE1 GLU A 6 -8.970 -12.595 -12.847 1.00 3.68 O ATOM 74 OE2 GLU A 6 -7.249 -13.299 -11.757 1.00 3.49 O ATOM 0 H GLU A 6 -10.519 -12.246 -12.542 1.00 2.05 H new ATOM 0 HA GLU A 6 -11.496 -11.215 -10.016 1.00 1.74 H new ATOM 0 HB2 GLU A 6 -9.055 -10.364 -11.640 1.00 2.05 H new ATOM 0 HB3 GLU A 6 -9.291 -10.160 -9.916 1.00 2.05 H new ATOM 0 HG2 GLU A 6 -8.175 -12.165 -9.739 1.00 2.72 H new ATOM 0 HG3 GLU A 6 -9.719 -12.878 -10.160 1.00 2.72 H new ATOM 81 N VAL A 7 -12.223 -8.847 -10.503 1.00 1.04 N ATOM 82 CA VAL A 7 -12.785 -7.520 -10.880 1.00 1.00 C ATOM 83 C VAL A 7 -11.640 -6.553 -11.191 1.00 0.92 C ATOM 84 O VAL A 7 -11.297 -5.703 -10.395 1.00 1.50 O ATOM 85 CB VAL A 7 -13.623 -6.969 -9.724 1.00 1.26 C ATOM 86 CG1 VAL A 7 -14.676 -6.005 -10.275 1.00 1.60 C ATOM 87 CG2 VAL A 7 -14.320 -8.126 -9.004 1.00 1.73 C ATOM 0 H VAL A 7 -12.380 -9.128 -9.535 1.00 1.04 H new ATOM 0 HA VAL A 7 -13.417 -7.630 -11.761 1.00 1.00 H new ATOM 0 HB VAL A 7 -12.976 -6.441 -9.023 1.00 1.26 H new ATOM 0 HG11 VAL A 7 -15.274 -5.611 -9.453 1.00 1.60 H new ATOM 0 HG12 VAL A 7 -14.181 -5.182 -10.791 1.00 1.60 H new ATOM 0 HG13 VAL A 7 -15.324 -6.534 -10.974 1.00 1.60 H new ATOM 0 HG21 VAL A 7 -14.917 -7.735 -8.180 1.00 1.73 H new ATOM 0 HG22 VAL A 7 -14.968 -8.653 -9.704 1.00 1.73 H new ATOM 0 HG23 VAL A 7 -13.571 -8.816 -8.614 1.00 1.73 H new ATOM 97 N GLU A 8 -11.047 -6.679 -12.347 1.00 0.84 N ATOM 98 CA GLU A 8 -9.923 -5.772 -12.716 1.00 0.73 C ATOM 99 C GLU A 8 -10.449 -4.347 -12.901 1.00 0.73 C ATOM 100 O GLU A 8 -10.663 -3.893 -14.006 1.00 0.88 O ATOM 101 CB GLU A 8 -9.293 -6.256 -14.024 1.00 0.88 C ATOM 102 CG GLU A 8 -7.860 -5.730 -14.127 1.00 1.01 C ATOM 103 CD GLU A 8 -6.879 -6.864 -13.823 1.00 2.04 C ATOM 104 OE1 GLU A 8 -7.118 -7.967 -14.288 1.00 2.74 O ATOM 105 OE2 GLU A 8 -5.908 -6.612 -13.129 1.00 2.67 O ATOM 0 H GLU A 8 -11.293 -7.373 -13.053 1.00 0.84 H new ATOM 0 HA GLU A 8 -9.175 -5.779 -11.923 1.00 0.73 H new ATOM 0 HB2 GLU A 8 -9.295 -7.345 -14.059 1.00 0.88 H new ATOM 0 HB3 GLU A 8 -9.881 -5.908 -14.873 1.00 0.88 H new ATOM 0 HG2 GLU A 8 -7.677 -5.334 -15.126 1.00 1.01 H new ATOM 0 HG3 GLU A 8 -7.711 -4.908 -13.427 1.00 1.01 H new ATOM 112 N LEU A 9 -10.656 -3.637 -11.825 1.00 0.77 N ATOM 113 CA LEU A 9 -11.162 -2.242 -11.943 1.00 0.93 C ATOM 114 C LEU A 9 -10.122 -1.390 -12.672 1.00 0.96 C ATOM 115 O LEU A 9 -10.401 -0.295 -13.119 1.00 1.31 O ATOM 116 CB LEU A 9 -11.406 -1.674 -10.544 1.00 1.15 C ATOM 117 CG LEU A 9 -12.829 -2.016 -10.099 1.00 1.34 C ATOM 118 CD1 LEU A 9 -12.845 -2.279 -8.592 1.00 1.51 C ATOM 119 CD2 LEU A 9 -13.758 -0.845 -10.421 1.00 1.72 C ATOM 0 H LEU A 9 -10.497 -3.963 -10.872 1.00 0.77 H new ATOM 0 HA LEU A 9 -12.096 -2.233 -12.505 1.00 0.93 H new ATOM 0 HB2 LEU A 9 -10.684 -2.088 -9.840 1.00 1.15 H new ATOM 0 HB3 LEU A 9 -11.264 -0.593 -10.548 1.00 1.15 H new ATOM 0 HG LEU A 9 -13.169 -2.907 -10.626 1.00 1.34 H new ATOM 0 HD11 LEU A 9 -13.859 -2.523 -8.276 1.00 1.51 H new ATOM 0 HD12 LEU A 9 -12.183 -3.113 -8.361 1.00 1.51 H new ATOM 0 HD13 LEU A 9 -12.504 -1.389 -8.064 1.00 1.51 H new ATOM 0 HD21 LEU A 9 -14.772 -1.088 -10.104 1.00 1.72 H new ATOM 0 HD22 LEU A 9 -13.417 0.046 -9.894 1.00 1.72 H new ATOM 0 HD23 LEU A 9 -13.748 -0.657 -11.495 1.00 1.72 H new ATOM 131 N LEU A 10 -8.924 -1.890 -12.798 1.00 0.80 N ATOM 132 CA LEU A 10 -7.860 -1.119 -13.501 1.00 0.92 C ATOM 133 C LEU A 10 -7.262 -1.994 -14.605 1.00 0.83 C ATOM 134 O LEU A 10 -6.270 -2.668 -14.410 1.00 0.72 O ATOM 135 CB LEU A 10 -6.777 -0.728 -12.486 1.00 0.98 C ATOM 136 CG LEU A 10 -5.691 0.142 -13.133 1.00 1.38 C ATOM 137 CD1 LEU A 10 -4.505 -0.731 -13.545 1.00 1.96 C ATOM 138 CD2 LEU A 10 -6.241 0.871 -14.363 1.00 1.86 C ATOM 0 H LEU A 10 -8.635 -2.802 -12.443 1.00 0.80 H new ATOM 0 HA LEU A 10 -8.274 -0.215 -13.947 1.00 0.92 H new ATOM 0 HB2 LEU A 10 -7.232 -0.187 -11.656 1.00 0.98 H new ATOM 0 HB3 LEU A 10 -6.324 -1.628 -12.070 1.00 0.98 H new ATOM 0 HG LEU A 10 -5.365 0.884 -12.404 1.00 1.38 H new ATOM 0 HD11 LEU A 10 -3.737 -0.108 -14.004 1.00 1.96 H new ATOM 0 HD12 LEU A 10 -4.094 -1.225 -12.665 1.00 1.96 H new ATOM 0 HD13 LEU A 10 -4.838 -1.483 -14.261 1.00 1.96 H new ATOM 0 HD21 LEU A 10 -5.454 1.482 -14.806 1.00 1.86 H new ATOM 0 HD22 LEU A 10 -6.588 0.141 -15.094 1.00 1.86 H new ATOM 0 HD23 LEU A 10 -7.072 1.510 -14.066 1.00 1.86 H new ATOM 150 N PRO A 11 -7.877 -1.984 -15.758 1.00 1.14 N ATOM 151 CA PRO A 11 -7.425 -2.788 -16.931 1.00 1.37 C ATOM 152 C PRO A 11 -5.987 -2.461 -17.343 1.00 1.27 C ATOM 153 O PRO A 11 -5.659 -2.427 -18.513 1.00 1.56 O ATOM 154 CB PRO A 11 -8.395 -2.404 -18.052 1.00 1.83 C ATOM 155 CG PRO A 11 -9.582 -1.798 -17.377 1.00 1.87 C ATOM 156 CD PRO A 11 -9.083 -1.200 -16.064 1.00 1.47 C ATOM 0 HA PRO A 11 -7.428 -3.854 -16.703 1.00 1.37 H new ATOM 0 HB2 PRO A 11 -7.934 -1.697 -18.742 1.00 1.83 H new ATOM 0 HB3 PRO A 11 -8.682 -3.278 -18.637 1.00 1.83 H new ATOM 0 HG2 PRO A 11 -10.034 -1.030 -18.005 1.00 1.87 H new ATOM 0 HG3 PRO A 11 -10.348 -2.551 -17.193 1.00 1.87 H new ATOM 0 HD2 PRO A 11 -8.855 -0.139 -16.169 1.00 1.47 H new ATOM 0 HD3 PRO A 11 -9.829 -1.289 -15.275 1.00 1.47 H new ATOM 164 N HIS A 12 -5.127 -2.223 -16.392 1.00 0.93 N ATOM 165 CA HIS A 12 -3.711 -1.901 -16.732 1.00 0.86 C ATOM 166 C HIS A 12 -2.788 -2.484 -15.660 1.00 0.78 C ATOM 167 O HIS A 12 -2.637 -1.933 -14.589 1.00 1.00 O ATOM 168 CB HIS A 12 -3.526 -0.383 -16.795 1.00 0.91 C ATOM 169 CG HIS A 12 -2.229 -0.064 -17.486 1.00 0.97 C ATOM 170 ND1 HIS A 12 -2.035 -0.296 -18.839 1.00 1.16 N ATOM 171 CD2 HIS A 12 -1.049 0.469 -17.025 1.00 1.01 C ATOM 172 CE1 HIS A 12 -0.782 0.091 -19.143 1.00 1.26 C ATOM 173 NE2 HIS A 12 -0.139 0.566 -18.074 1.00 1.19 N ATOM 0 H HIS A 12 -5.342 -2.237 -15.395 1.00 0.93 H new ATOM 0 HA HIS A 12 -3.465 -2.333 -17.702 1.00 0.86 H new ATOM 0 HB2 HIS A 12 -4.358 0.073 -17.331 1.00 0.91 H new ATOM 0 HB3 HIS A 12 -3.527 0.036 -15.789 1.00 0.91 H new ATOM 0 HD2 HIS A 12 -0.857 0.767 -16.005 1.00 1.01 H new ATOM 0 HE1 HIS A 12 -0.350 0.025 -20.131 1.00 1.26 H new ATOM 0 HE2 HIS A 12 0.815 0.924 -18.034 1.00 1.19 H new ATOM 181 N THR A 13 -2.171 -3.599 -15.941 1.00 0.74 N ATOM 182 CA THR A 13 -1.262 -4.219 -14.939 1.00 0.75 C ATOM 183 C THR A 13 -0.054 -4.826 -15.654 1.00 0.83 C ATOM 184 O THR A 13 0.268 -5.984 -15.477 1.00 1.06 O ATOM 185 CB THR A 13 -2.013 -5.317 -14.182 1.00 0.87 C ATOM 186 OG1 THR A 13 -1.141 -5.924 -13.240 1.00 1.09 O ATOM 187 CG2 THR A 13 -2.516 -6.372 -15.170 1.00 1.06 C ATOM 0 H THR A 13 -2.258 -4.107 -16.821 1.00 0.74 H new ATOM 0 HA THR A 13 -0.923 -3.459 -14.235 1.00 0.75 H new ATOM 0 HB THR A 13 -2.864 -4.879 -13.660 1.00 0.87 H new ATOM 0 HG1 THR A 13 -0.428 -6.401 -13.714 1.00 1.09 H new ATOM 0 HG21 THR A 13 -3.050 -7.152 -14.628 1.00 1.06 H new ATOM 0 HG22 THR A 13 -3.188 -5.905 -15.890 1.00 1.06 H new ATOM 0 HG23 THR A 13 -1.668 -6.811 -15.696 1.00 1.06 H new ATOM 195 N SER A 14 0.618 -4.054 -16.465 1.00 0.75 N ATOM 196 CA SER A 14 1.804 -4.590 -17.191 1.00 0.85 C ATOM 197 C SER A 14 2.914 -3.538 -17.208 1.00 0.70 C ATOM 198 O SER A 14 3.256 -2.999 -18.242 1.00 0.82 O ATOM 199 CB SER A 14 1.407 -4.937 -18.627 1.00 1.08 C ATOM 200 OG SER A 14 1.103 -6.322 -18.709 1.00 1.88 O ATOM 0 H SER A 14 0.397 -3.077 -16.656 1.00 0.75 H new ATOM 0 HA SER A 14 2.164 -5.486 -16.686 1.00 0.85 H new ATOM 0 HB2 SER A 14 0.544 -4.345 -18.931 1.00 1.08 H new ATOM 0 HB3 SER A 14 2.219 -4.690 -19.311 1.00 1.08 H new ATOM 0 HG SER A 14 0.847 -6.547 -19.628 1.00 1.88 H new ATOM 206 N PHE A 15 3.485 -3.246 -16.071 1.00 0.56 N ATOM 207 CA PHE A 15 4.577 -2.233 -16.024 1.00 0.53 C ATOM 208 C PHE A 15 5.798 -2.777 -16.769 1.00 0.62 C ATOM 209 O PHE A 15 6.927 -2.474 -16.437 1.00 0.69 O ATOM 210 CB PHE A 15 4.954 -1.958 -14.567 1.00 0.62 C ATOM 211 CG PHE A 15 4.009 -0.937 -13.979 1.00 0.48 C ATOM 212 CD1 PHE A 15 2.665 -0.915 -14.372 1.00 1.28 C ATOM 213 CD2 PHE A 15 4.478 -0.012 -13.037 1.00 1.27 C ATOM 214 CE1 PHE A 15 1.791 0.031 -13.823 1.00 1.32 C ATOM 215 CE2 PHE A 15 3.604 0.933 -12.489 1.00 1.22 C ATOM 216 CZ PHE A 15 2.260 0.954 -12.881 1.00 0.46 C ATOM 0 H PHE A 15 3.242 -3.665 -15.173 1.00 0.56 H new ATOM 0 HA PHE A 15 4.240 -1.308 -16.493 1.00 0.53 H new ATOM 0 HB2 PHE A 15 4.911 -2.882 -13.990 1.00 0.62 H new ATOM 0 HB3 PHE A 15 5.980 -1.594 -14.510 1.00 0.62 H new ATOM 0 HD1 PHE A 15 2.303 -1.628 -15.098 1.00 1.28 H new ATOM 0 HD2 PHE A 15 5.514 -0.028 -12.734 1.00 1.27 H new ATOM 0 HE1 PHE A 15 0.755 0.049 -14.126 1.00 1.32 H new ATOM 0 HE2 PHE A 15 3.966 1.646 -11.763 1.00 1.22 H new ATOM 0 HZ PHE A 15 1.585 1.682 -12.456 1.00 0.46 H new ATOM 226 N ALA A 16 5.579 -3.590 -17.767 1.00 0.68 N ATOM 227 CA ALA A 16 6.724 -4.167 -18.525 1.00 0.81 C ATOM 228 C ALA A 16 7.092 -3.257 -19.701 1.00 0.73 C ATOM 229 O ALA A 16 8.247 -3.121 -20.052 1.00 0.79 O ATOM 230 CB ALA A 16 6.334 -5.547 -19.057 1.00 1.08 C ATOM 0 H ALA A 16 4.656 -3.879 -18.090 1.00 0.68 H new ATOM 0 HA ALA A 16 7.583 -4.254 -17.860 1.00 0.81 H new ATOM 0 HB1 ALA A 16 7.170 -5.972 -19.612 1.00 1.08 H new ATOM 0 HB2 ALA A 16 6.083 -6.201 -18.222 1.00 1.08 H new ATOM 0 HB3 ALA A 16 5.471 -5.452 -19.716 1.00 1.08 H new ATOM 236 N GLU A 17 6.121 -2.645 -20.324 1.00 0.83 N ATOM 237 CA GLU A 17 6.428 -1.763 -21.483 1.00 0.92 C ATOM 238 C GLU A 17 6.190 -0.298 -21.108 1.00 0.90 C ATOM 239 O GLU A 17 7.117 0.444 -20.852 1.00 1.27 O ATOM 240 CB GLU A 17 5.521 -2.144 -22.654 1.00 1.28 C ATOM 241 CG GLU A 17 6.208 -3.214 -23.507 1.00 1.50 C ATOM 242 CD GLU A 17 6.900 -2.552 -24.699 1.00 2.26 C ATOM 243 OE1 GLU A 17 6.226 -1.854 -25.437 1.00 2.97 O ATOM 244 OE2 GLU A 17 8.093 -2.754 -24.854 1.00 2.76 O ATOM 0 H GLU A 17 5.133 -2.718 -20.081 1.00 0.83 H new ATOM 0 HA GLU A 17 7.473 -1.889 -21.765 1.00 0.92 H new ATOM 0 HB2 GLU A 17 4.567 -2.518 -22.282 1.00 1.28 H new ATOM 0 HB3 GLU A 17 5.304 -1.265 -23.260 1.00 1.28 H new ATOM 0 HG2 GLU A 17 6.937 -3.759 -22.907 1.00 1.50 H new ATOM 0 HG3 GLU A 17 5.475 -3.941 -23.857 1.00 1.50 H new ATOM 251 N SER A 18 4.956 0.128 -21.084 1.00 0.97 N ATOM 252 CA SER A 18 4.668 1.548 -20.736 1.00 0.95 C ATOM 253 C SER A 18 4.242 1.648 -19.270 1.00 0.79 C ATOM 254 O SER A 18 3.685 0.725 -18.710 1.00 0.79 O ATOM 255 CB SER A 18 3.543 2.071 -21.631 1.00 1.17 C ATOM 256 OG SER A 18 4.104 2.641 -22.805 1.00 1.65 O ATOM 0 H SER A 18 4.137 -0.444 -21.290 1.00 0.97 H new ATOM 0 HA SER A 18 5.567 2.146 -20.889 1.00 0.95 H new ATOM 0 HB2 SER A 18 2.865 1.259 -21.895 1.00 1.17 H new ATOM 0 HB3 SER A 18 2.954 2.816 -21.096 1.00 1.17 H new ATOM 0 HG SER A 18 3.386 2.976 -23.382 1.00 1.65 H new ATOM 262 N LEU A 19 4.500 2.764 -18.646 1.00 0.80 N ATOM 263 CA LEU A 19 4.110 2.929 -17.217 1.00 0.73 C ATOM 264 C LEU A 19 2.597 2.757 -17.083 1.00 0.64 C ATOM 265 O LEU A 19 2.119 1.887 -16.383 1.00 0.86 O ATOM 266 CB LEU A 19 4.502 4.329 -16.741 1.00 0.91 C ATOM 267 CG LEU A 19 6.003 4.369 -16.449 1.00 1.11 C ATOM 268 CD1 LEU A 19 6.625 5.586 -17.135 1.00 1.87 C ATOM 269 CD2 LEU A 19 6.223 4.468 -14.939 1.00 1.95 C ATOM 0 H LEU A 19 4.965 3.570 -19.064 1.00 0.80 H new ATOM 0 HA LEU A 19 4.621 2.180 -16.611 1.00 0.73 H new ATOM 0 HB2 LEU A 19 4.249 5.067 -17.502 1.00 0.91 H new ATOM 0 HB3 LEU A 19 3.940 4.590 -15.845 1.00 0.91 H new ATOM 0 HG LEU A 19 6.472 3.461 -16.828 1.00 1.11 H new ATOM 0 HD11 LEU A 19 7.695 5.614 -16.927 1.00 1.87 H new ATOM 0 HD12 LEU A 19 6.467 5.517 -18.211 1.00 1.87 H new ATOM 0 HD13 LEU A 19 6.158 6.495 -16.757 1.00 1.87 H new ATOM 0 HD21 LEU A 19 7.292 4.497 -14.728 1.00 1.95 H new ATOM 0 HD22 LEU A 19 5.754 5.377 -14.562 1.00 1.95 H new ATOM 0 HD23 LEU A 19 5.780 3.601 -14.449 1.00 1.95 H new ATOM 281 N GLY A 20 1.840 3.584 -17.749 1.00 0.64 N ATOM 282 CA GLY A 20 0.357 3.473 -17.662 1.00 0.63 C ATOM 283 C GLY A 20 -0.214 4.741 -17.025 1.00 0.60 C ATOM 284 O GLY A 20 0.453 5.753 -16.931 1.00 0.67 O ATOM 0 H GLY A 20 2.185 4.332 -18.350 1.00 0.64 H new ATOM 0 HA2 GLY A 20 -0.066 3.331 -18.656 1.00 0.63 H new ATOM 0 HA3 GLY A 20 0.081 2.600 -17.070 1.00 0.63 H new ATOM 288 N PRO A 21 -1.444 4.682 -16.590 1.00 0.58 N ATOM 289 CA PRO A 21 -2.130 5.838 -15.948 1.00 0.60 C ATOM 290 C PRO A 21 -1.670 6.057 -14.504 1.00 0.52 C ATOM 291 O PRO A 21 -2.087 6.987 -13.845 1.00 0.60 O ATOM 292 CB PRO A 21 -3.607 5.446 -15.986 1.00 0.68 C ATOM 293 CG PRO A 21 -3.623 3.954 -16.004 1.00 0.71 C ATOM 294 CD PRO A 21 -2.317 3.500 -16.665 1.00 0.63 C ATOM 0 HA PRO A 21 -1.914 6.775 -16.461 1.00 0.60 H new ATOM 0 HB2 PRO A 21 -4.138 5.834 -15.117 1.00 0.68 H new ATOM 0 HB3 PRO A 21 -4.099 5.854 -16.869 1.00 0.68 H new ATOM 0 HG2 PRO A 21 -3.701 3.557 -14.992 1.00 0.71 H new ATOM 0 HG3 PRO A 21 -4.485 3.584 -16.559 1.00 0.71 H new ATOM 0 HD2 PRO A 21 -1.881 2.649 -16.142 1.00 0.63 H new ATOM 0 HD3 PRO A 21 -2.480 3.190 -17.697 1.00 0.63 H new ATOM 302 N TRP A 22 -0.811 5.208 -14.010 1.00 0.44 N ATOM 303 CA TRP A 22 -0.324 5.369 -12.611 1.00 0.40 C ATOM 304 C TRP A 22 0.681 6.523 -12.554 1.00 0.41 C ATOM 305 O TRP A 22 0.935 7.185 -13.540 1.00 0.55 O ATOM 306 CB TRP A 22 0.354 4.077 -12.151 1.00 0.39 C ATOM 307 CG TRP A 22 -0.679 3.023 -11.910 1.00 0.39 C ATOM 308 CD1 TRP A 22 -1.697 2.725 -12.750 1.00 0.41 C ATOM 309 CD2 TRP A 22 -0.814 2.125 -10.769 1.00 0.43 C ATOM 310 NE1 TRP A 22 -2.447 1.701 -12.201 1.00 0.44 N ATOM 311 CE2 TRP A 22 -1.944 1.297 -10.979 1.00 0.45 C ATOM 312 CE3 TRP A 22 -0.076 1.950 -9.585 1.00 0.48 C ATOM 313 CZ2 TRP A 22 -2.325 0.329 -10.045 1.00 0.52 C ATOM 314 CZ3 TRP A 22 -0.456 0.980 -8.645 1.00 0.55 C ATOM 315 CH2 TRP A 22 -1.578 0.170 -8.874 1.00 0.57 C ATOM 0 H TRP A 22 -0.425 4.410 -14.515 1.00 0.44 H new ATOM 0 HA TRP A 22 -1.167 5.586 -11.955 1.00 0.40 H new ATOM 0 HB2 TRP A 22 1.063 3.738 -12.906 1.00 0.39 H new ATOM 0 HB3 TRP A 22 0.922 4.258 -11.239 1.00 0.39 H new ATOM 0 HD1 TRP A 22 -1.892 3.208 -13.696 1.00 0.41 H new ATOM 0 HE1 TRP A 22 -3.271 1.294 -12.644 1.00 0.44 H new ATOM 0 HE3 TRP A 22 0.790 2.567 -9.398 1.00 0.48 H new ATOM 0 HZ2 TRP A 22 -3.190 -0.291 -10.227 1.00 0.52 H new ATOM 0 HZ3 TRP A 22 0.119 0.856 -7.739 1.00 0.55 H new ATOM 0 HH2 TRP A 22 -1.864 -0.575 -8.147 1.00 0.57 H new ATOM 326 N SER A 23 1.255 6.767 -11.408 1.00 0.44 N ATOM 327 CA SER A 23 2.244 7.876 -11.290 1.00 0.49 C ATOM 328 C SER A 23 3.402 7.428 -10.394 1.00 0.45 C ATOM 329 O SER A 23 3.387 6.346 -9.841 1.00 0.53 O ATOM 330 CB SER A 23 1.565 9.100 -10.673 1.00 0.63 C ATOM 331 OG SER A 23 0.710 9.698 -11.638 1.00 0.84 O ATOM 0 H SER A 23 1.082 6.246 -10.548 1.00 0.44 H new ATOM 0 HA SER A 23 2.626 8.133 -12.278 1.00 0.49 H new ATOM 0 HB2 SER A 23 0.991 8.807 -9.793 1.00 0.63 H new ATOM 0 HB3 SER A 23 2.315 9.817 -10.340 1.00 0.63 H new ATOM 0 HG SER A 23 0.272 10.482 -11.246 1.00 0.84 H new ATOM 337 N LEU A 24 4.407 8.249 -10.246 1.00 0.56 N ATOM 338 CA LEU A 24 5.560 7.860 -9.384 1.00 0.62 C ATOM 339 C LEU A 24 6.593 8.986 -9.356 1.00 0.60 C ATOM 340 O LEU A 24 6.566 9.890 -10.168 1.00 0.63 O ATOM 341 CB LEU A 24 6.208 6.591 -9.941 1.00 0.73 C ATOM 342 CG LEU A 24 6.319 6.692 -11.463 1.00 1.15 C ATOM 343 CD1 LEU A 24 7.546 7.528 -11.836 1.00 1.91 C ATOM 344 CD2 LEU A 24 6.464 5.288 -12.048 1.00 1.73 C ATOM 0 H LEU A 24 4.479 9.168 -10.683 1.00 0.56 H new ATOM 0 HA LEU A 24 5.202 7.676 -8.371 1.00 0.62 H new ATOM 0 HB2 LEU A 24 7.197 6.454 -9.503 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.615 5.718 -9.667 1.00 0.73 H new ATOM 0 HG LEU A 24 5.424 7.169 -11.863 1.00 1.15 H new ATOM 0 HD11 LEU A 24 7.622 7.598 -12.921 1.00 1.91 H new ATOM 0 HD12 LEU A 24 7.447 8.528 -11.414 1.00 1.91 H new ATOM 0 HD13 LEU A 24 8.444 7.054 -11.439 1.00 1.91 H new ATOM 0 HD21 LEU A 24 6.544 5.352 -13.133 1.00 1.73 H new ATOM 0 HD22 LEU A 24 7.361 4.817 -11.646 1.00 1.73 H new ATOM 0 HD23 LEU A 24 5.591 4.692 -11.783 1.00 1.73 H new ATOM 356 N TYR A 25 7.506 8.936 -8.423 1.00 0.63 N ATOM 357 CA TYR A 25 8.548 9.999 -8.335 1.00 0.67 C ATOM 358 C TYR A 25 9.208 9.962 -6.955 1.00 0.63 C ATOM 359 O TYR A 25 8.923 9.103 -6.142 1.00 0.79 O ATOM 360 CB TYR A 25 7.906 11.372 -8.554 1.00 0.76 C ATOM 361 CG TYR A 25 6.514 11.400 -7.962 1.00 1.04 C ATOM 362 CD1 TYR A 25 6.175 10.550 -6.901 1.00 1.73 C ATOM 363 CD2 TYR A 25 5.561 12.289 -8.475 1.00 1.76 C ATOM 364 CE1 TYR A 25 4.886 10.588 -6.357 1.00 2.13 C ATOM 365 CE2 TYR A 25 4.272 12.326 -7.930 1.00 2.19 C ATOM 366 CZ TYR A 25 3.935 11.477 -6.871 1.00 2.07 C ATOM 367 OH TYR A 25 2.664 11.514 -6.334 1.00 2.65 O ATOM 0 H TYR A 25 7.575 8.203 -7.717 1.00 0.63 H new ATOM 0 HA TYR A 25 9.301 9.824 -9.103 1.00 0.67 H new ATOM 0 HB2 TYR A 25 8.520 12.146 -8.094 1.00 0.76 H new ATOM 0 HB3 TYR A 25 7.860 11.594 -9.620 1.00 0.76 H new ATOM 0 HD1 TYR A 25 6.909 9.865 -6.503 1.00 1.73 H new ATOM 0 HD2 TYR A 25 5.821 12.946 -9.292 1.00 1.76 H new ATOM 0 HE1 TYR A 25 4.625 9.931 -5.540 1.00 2.13 H new ATOM 0 HE2 TYR A 25 3.537 13.011 -8.328 1.00 2.19 H new ATOM 0 HH TYR A 25 2.129 12.187 -6.805 1.00 2.65 H new ATOM 377 N GLY A 26 10.082 10.890 -6.680 1.00 0.57 N ATOM 378 CA GLY A 26 10.752 10.914 -5.349 1.00 0.58 C ATOM 379 C GLY A 26 11.963 9.980 -5.355 1.00 0.52 C ATOM 380 O GLY A 26 12.869 10.124 -4.559 1.00 0.55 O ATOM 0 H GLY A 26 10.362 11.634 -7.320 1.00 0.57 H new ATOM 0 HA2 GLY A 26 11.067 11.930 -5.110 1.00 0.58 H new ATOM 0 HA3 GLY A 26 10.050 10.607 -4.574 1.00 0.58 H new ATOM 384 N THR A 27 11.994 9.025 -6.243 1.00 0.48 N ATOM 385 CA THR A 27 13.157 8.093 -6.283 1.00 0.48 C ATOM 386 C THR A 27 13.987 8.366 -7.539 1.00 0.51 C ATOM 387 O THR A 27 14.141 9.493 -7.964 1.00 0.57 O ATOM 388 CB THR A 27 12.643 6.649 -6.310 1.00 0.48 C ATOM 389 OG1 THR A 27 13.424 5.875 -7.208 1.00 0.51 O ATOM 390 CG2 THR A 27 11.183 6.635 -6.765 1.00 0.50 C ATOM 0 H THR A 27 11.269 8.850 -6.939 1.00 0.48 H new ATOM 0 HA THR A 27 13.780 8.243 -5.401 1.00 0.48 H new ATOM 0 HB THR A 27 12.719 6.224 -5.309 1.00 0.48 H new ATOM 0 HG1 THR A 27 14.134 5.416 -6.712 1.00 0.51 H new ATOM 0 HG21 THR A 27 10.818 5.608 -6.784 1.00 0.50 H new ATOM 0 HG22 THR A 27 10.580 7.222 -6.072 1.00 0.50 H new ATOM 0 HG23 THR A 27 11.109 7.065 -7.764 1.00 0.50 H new ATOM 398 N SER A 28 14.513 7.337 -8.141 1.00 0.53 N ATOM 399 CA SER A 28 15.322 7.525 -9.377 1.00 0.62 C ATOM 400 C SER A 28 14.406 7.403 -10.594 1.00 0.63 C ATOM 401 O SER A 28 13.209 7.249 -10.463 1.00 0.92 O ATOM 402 CB SER A 28 16.410 6.453 -9.444 1.00 0.68 C ATOM 403 OG SER A 28 15.857 5.197 -9.075 1.00 0.74 O ATOM 0 H SER A 28 14.417 6.371 -7.829 1.00 0.53 H new ATOM 0 HA SER A 28 15.790 8.509 -9.366 1.00 0.62 H new ATOM 0 HB2 SER A 28 16.822 6.400 -10.452 1.00 0.68 H new ATOM 0 HB3 SER A 28 17.232 6.711 -8.777 1.00 0.68 H new ATOM 0 HG SER A 28 15.043 5.032 -9.595 1.00 0.74 H new ATOM 409 N GLU A 29 14.955 7.458 -11.776 1.00 0.74 N ATOM 410 CA GLU A 29 14.108 7.330 -12.996 1.00 0.76 C ATOM 411 C GLU A 29 13.829 5.846 -13.250 1.00 0.63 C ATOM 412 O GLU A 29 14.722 5.094 -13.585 1.00 0.66 O ATOM 413 CB GLU A 29 14.849 7.922 -14.197 1.00 0.95 C ATOM 414 CG GLU A 29 15.572 9.202 -13.774 1.00 1.52 C ATOM 415 CD GLU A 29 15.653 10.160 -14.964 1.00 2.03 C ATOM 416 OE1 GLU A 29 16.243 9.784 -15.962 1.00 2.55 O ATOM 417 OE2 GLU A 29 15.123 11.254 -14.856 1.00 2.59 O ATOM 0 H GLU A 29 15.952 7.586 -11.950 1.00 0.74 H new ATOM 0 HA GLU A 29 13.169 7.865 -12.853 1.00 0.76 H new ATOM 0 HB2 GLU A 29 15.566 7.199 -14.587 1.00 0.95 H new ATOM 0 HB3 GLU A 29 14.145 8.139 -15.001 1.00 0.95 H new ATOM 0 HG2 GLU A 29 15.042 9.676 -12.948 1.00 1.52 H new ATOM 0 HG3 GLU A 29 16.574 8.965 -13.416 1.00 1.52 H new ATOM 424 N PRO A 30 12.603 5.421 -13.088 1.00 0.59 N ATOM 425 CA PRO A 30 12.219 3.997 -13.300 1.00 0.50 C ATOM 426 C PRO A 30 12.740 3.459 -14.635 1.00 0.48 C ATOM 427 O PRO A 30 12.981 4.206 -15.562 1.00 0.60 O ATOM 428 CB PRO A 30 10.690 4.024 -13.288 1.00 0.57 C ATOM 429 CG PRO A 30 10.327 5.225 -12.481 1.00 0.88 C ATOM 430 CD PRO A 30 11.448 6.244 -12.689 1.00 0.76 C ATOM 0 HA PRO A 30 12.642 3.342 -12.539 1.00 0.50 H new ATOM 0 HB2 PRO A 30 10.289 4.093 -14.299 1.00 0.57 H new ATOM 0 HB3 PRO A 30 10.283 3.115 -12.846 1.00 0.57 H new ATOM 0 HG2 PRO A 30 9.368 5.632 -12.802 1.00 0.88 H new ATOM 0 HG3 PRO A 30 10.227 4.968 -11.426 1.00 0.88 H new ATOM 0 HD2 PRO A 30 11.190 6.971 -13.459 1.00 0.76 H new ATOM 0 HD3 PRO A 30 11.653 6.805 -11.777 1.00 0.76 H new ATOM 438 N VAL A 31 12.925 2.171 -14.741 1.00 0.43 N ATOM 439 CA VAL A 31 13.439 1.603 -16.018 1.00 0.49 C ATOM 440 C VAL A 31 12.758 0.262 -16.306 1.00 0.45 C ATOM 441 O VAL A 31 13.052 -0.739 -15.684 1.00 0.47 O ATOM 442 CB VAL A 31 14.949 1.389 -15.906 1.00 0.58 C ATOM 443 CG1 VAL A 31 15.496 0.894 -17.246 1.00 1.07 C ATOM 444 CG2 VAL A 31 15.626 2.712 -15.538 1.00 1.16 C ATOM 0 H VAL A 31 12.743 1.491 -14.002 1.00 0.43 H new ATOM 0 HA VAL A 31 13.223 2.297 -16.830 1.00 0.49 H new ATOM 0 HB VAL A 31 15.153 0.648 -15.134 1.00 0.58 H new ATOM 0 HG11 VAL A 31 16.572 0.742 -17.166 1.00 1.07 H new ATOM 0 HG12 VAL A 31 15.015 -0.048 -17.510 1.00 1.07 H new ATOM 0 HG13 VAL A 31 15.291 1.635 -18.019 1.00 1.07 H new ATOM 0 HG21 VAL A 31 16.702 2.560 -15.458 1.00 1.16 H new ATOM 0 HG22 VAL A 31 15.421 3.453 -16.310 1.00 1.16 H new ATOM 0 HG23 VAL A 31 15.238 3.066 -14.583 1.00 1.16 H new ATOM 454 N PHE A 32 11.862 0.237 -17.256 1.00 0.43 N ATOM 455 CA PHE A 32 11.174 -1.040 -17.602 1.00 0.43 C ATOM 456 C PHE A 32 12.122 -1.913 -18.423 1.00 0.46 C ATOM 457 O PHE A 32 12.077 -1.933 -19.637 1.00 0.61 O ATOM 458 CB PHE A 32 9.906 -0.738 -18.406 1.00 0.46 C ATOM 459 CG PHE A 32 10.081 0.551 -19.172 1.00 0.51 C ATOM 460 CD1 PHE A 32 11.333 0.896 -19.695 1.00 1.27 C ATOM 461 CD2 PHE A 32 8.987 1.405 -19.355 1.00 1.33 C ATOM 462 CE1 PHE A 32 11.489 2.095 -20.403 1.00 1.29 C ATOM 463 CE2 PHE A 32 9.142 2.603 -20.062 1.00 1.37 C ATOM 464 CZ PHE A 32 10.394 2.948 -20.585 1.00 0.65 C ATOM 0 H PHE A 32 11.577 1.046 -17.808 1.00 0.43 H new ATOM 0 HA PHE A 32 10.895 -1.569 -16.691 1.00 0.43 H new ATOM 0 HB2 PHE A 32 9.698 -1.556 -19.096 1.00 0.46 H new ATOM 0 HB3 PHE A 32 9.050 -0.660 -17.736 1.00 0.46 H new ATOM 0 HD1 PHE A 32 12.178 0.238 -19.553 1.00 1.27 H new ATOM 0 HD2 PHE A 32 8.022 1.139 -18.950 1.00 1.33 H new ATOM 0 HE1 PHE A 32 12.454 2.361 -20.808 1.00 1.29 H new ATOM 0 HE2 PHE A 32 8.297 3.260 -20.204 1.00 1.37 H new ATOM 0 HZ PHE A 32 10.515 3.873 -21.129 1.00 0.65 H new ATOM 474 N ALA A 33 12.991 -2.629 -17.763 1.00 0.45 N ATOM 475 CA ALA A 33 13.958 -3.497 -18.494 1.00 0.53 C ATOM 476 C ALA A 33 13.203 -4.471 -19.400 1.00 0.62 C ATOM 477 O ALA A 33 12.220 -4.121 -20.024 1.00 0.73 O ATOM 478 CB ALA A 33 14.796 -4.286 -17.487 1.00 0.68 C ATOM 0 H ALA A 33 13.073 -2.650 -16.747 1.00 0.45 H new ATOM 0 HA ALA A 33 14.610 -2.871 -19.104 1.00 0.53 H new ATOM 0 HB1 ALA A 33 15.503 -4.921 -18.021 1.00 0.68 H new ATOM 0 HB2 ALA A 33 15.342 -3.594 -16.846 1.00 0.68 H new ATOM 0 HB3 ALA A 33 14.141 -4.907 -16.876 1.00 0.68 H new ATOM 484 N ASP A 34 13.657 -5.693 -19.476 1.00 0.75 N ATOM 485 CA ASP A 34 12.970 -6.693 -20.340 1.00 1.01 C ATOM 486 C ASP A 34 11.456 -6.539 -20.192 1.00 1.02 C ATOM 487 O ASP A 34 10.764 -6.170 -21.121 1.00 1.94 O ATOM 488 CB ASP A 34 13.382 -8.104 -19.914 1.00 1.22 C ATOM 489 CG ASP A 34 14.470 -8.625 -20.855 1.00 1.82 C ATOM 490 OD1 ASP A 34 15.137 -7.808 -21.467 1.00 2.49 O ATOM 491 OD2 ASP A 34 14.618 -9.833 -20.946 1.00 2.46 O ATOM 0 H ASP A 34 14.475 -6.041 -18.976 1.00 0.75 H new ATOM 0 HA ASP A 34 13.253 -6.530 -21.380 1.00 1.01 H new ATOM 0 HB2 ASP A 34 13.749 -8.093 -18.888 1.00 1.22 H new ATOM 0 HB3 ASP A 34 12.518 -8.769 -19.936 1.00 1.22 H new ATOM 496 N GLY A 35 10.935 -6.817 -19.029 1.00 0.68 N ATOM 497 CA GLY A 35 9.466 -6.686 -18.819 1.00 0.63 C ATOM 498 C GLY A 35 9.197 -6.275 -17.370 1.00 0.57 C ATOM 499 O GLY A 35 8.149 -6.551 -16.821 1.00 0.82 O ATOM 0 H GLY A 35 11.464 -7.129 -18.214 1.00 0.68 H new ATOM 0 HA2 GLY A 35 9.054 -5.943 -19.502 1.00 0.63 H new ATOM 0 HA3 GLY A 35 8.970 -7.631 -19.039 1.00 0.63 H new ATOM 503 N ARG A 36 10.137 -5.617 -16.746 1.00 0.45 N ATOM 504 CA ARG A 36 9.932 -5.190 -15.334 1.00 0.42 C ATOM 505 C ARG A 36 10.523 -3.796 -15.128 1.00 0.39 C ATOM 506 O ARG A 36 11.535 -3.447 -15.704 1.00 0.40 O ATOM 507 CB ARG A 36 10.628 -6.178 -14.395 1.00 0.44 C ATOM 508 CG ARG A 36 12.051 -6.440 -14.895 1.00 0.72 C ATOM 509 CD ARG A 36 12.952 -6.842 -13.724 1.00 0.56 C ATOM 510 NE ARG A 36 13.038 -8.327 -13.648 1.00 1.55 N ATOM 511 CZ ARG A 36 13.976 -8.891 -12.936 1.00 2.37 C ATOM 512 NH1 ARG A 36 14.845 -8.154 -12.299 1.00 2.62 N ATOM 513 NH2 ARG A 36 14.047 -10.192 -12.864 1.00 3.47 N ATOM 0 H ARG A 36 11.036 -5.358 -17.153 1.00 0.45 H new ATOM 0 HA ARG A 36 8.864 -5.168 -15.116 1.00 0.42 H new ATOM 0 HB2 ARG A 36 10.655 -5.776 -13.382 1.00 0.44 H new ATOM 0 HB3 ARG A 36 10.068 -7.112 -14.353 1.00 0.44 H new ATOM 0 HG2 ARG A 36 12.042 -7.230 -15.645 1.00 0.72 H new ATOM 0 HG3 ARG A 36 12.446 -5.546 -15.378 1.00 0.72 H new ATOM 0 HD2 ARG A 36 13.947 -6.416 -13.854 1.00 0.56 H new ATOM 0 HD3 ARG A 36 12.554 -6.442 -12.791 1.00 0.56 H new ATOM 0 HE ARG A 36 12.364 -8.903 -14.152 1.00 1.55 H new ATOM 0 HH11 ARG A 36 14.791 -7.137 -12.357 1.00 2.62 H new ATOM 0 HH12 ARG A 36 15.578 -8.595 -11.743 1.00 2.62 H new ATOM 0 HH21 ARG A 36 13.370 -10.768 -13.364 1.00 3.47 H new ATOM 0 HH22 ARG A 36 14.780 -10.633 -12.308 1.00 3.47 H new ATOM 527 N MET A 37 9.902 -2.998 -14.304 1.00 0.42 N ATOM 528 CA MET A 37 10.428 -1.627 -14.053 1.00 0.43 C ATOM 529 C MET A 37 10.917 -1.535 -12.608 1.00 0.39 C ATOM 530 O MET A 37 10.206 -1.865 -11.679 1.00 0.46 O ATOM 531 CB MET A 37 9.315 -0.603 -14.289 1.00 0.50 C ATOM 532 CG MET A 37 9.834 0.800 -13.969 1.00 0.75 C ATOM 533 SD MET A 37 8.478 1.990 -14.115 1.00 1.44 S ATOM 534 CE MET A 37 7.864 1.843 -12.419 1.00 0.98 C ATOM 0 H MET A 37 9.052 -3.237 -13.793 1.00 0.42 H new ATOM 0 HA MET A 37 11.256 -1.419 -14.731 1.00 0.43 H new ATOM 0 HB2 MET A 37 8.977 -0.650 -15.324 1.00 0.50 H new ATOM 0 HB3 MET A 37 8.454 -0.835 -13.662 1.00 0.50 H new ATOM 0 HG2 MET A 37 10.248 0.825 -12.961 1.00 0.75 H new ATOM 0 HG3 MET A 37 10.641 1.066 -14.652 1.00 0.75 H new ATOM 0 HE1 MET A 37 6.775 1.893 -12.421 1.00 0.98 H new ATOM 0 HE2 MET A 37 8.183 0.889 -11.998 1.00 0.98 H new ATOM 0 HE3 MET A 37 8.264 2.658 -11.815 1.00 0.98 H new ATOM 544 N CYS A 38 12.132 -1.102 -12.408 1.00 0.37 N ATOM 545 CA CYS A 38 12.662 -1.007 -11.020 1.00 0.38 C ATOM 546 C CYS A 38 13.076 0.432 -10.706 1.00 0.37 C ATOM 547 O CYS A 38 13.367 1.216 -11.587 1.00 0.45 O ATOM 548 CB CYS A 38 13.880 -1.923 -10.882 1.00 0.45 C ATOM 549 SG CYS A 38 13.796 -2.810 -9.307 1.00 1.22 S ATOM 0 H CYS A 38 12.777 -0.811 -13.143 1.00 0.37 H new ATOM 0 HA CYS A 38 11.883 -1.312 -10.322 1.00 0.38 H new ATOM 0 HB2 CYS A 38 13.910 -2.632 -11.709 1.00 0.45 H new ATOM 0 HB3 CYS A 38 14.797 -1.336 -10.932 1.00 0.45 H new ATOM 554 N VAL A 39 13.113 0.776 -9.446 1.00 0.39 N ATOM 555 CA VAL A 39 13.518 2.153 -9.052 1.00 0.44 C ATOM 556 C VAL A 39 14.670 2.057 -8.046 1.00 0.46 C ATOM 557 O VAL A 39 14.696 1.178 -7.205 1.00 0.46 O ATOM 558 CB VAL A 39 12.334 2.875 -8.404 1.00 0.48 C ATOM 559 CG1 VAL A 39 11.403 3.407 -9.494 1.00 0.53 C ATOM 560 CG2 VAL A 39 11.566 1.894 -7.515 1.00 0.53 C ATOM 0 H VAL A 39 12.878 0.157 -8.670 1.00 0.39 H new ATOM 0 HA VAL A 39 13.836 2.711 -9.933 1.00 0.44 H new ATOM 0 HB VAL A 39 12.700 3.706 -7.801 1.00 0.48 H new ATOM 0 HG11 VAL A 39 10.560 3.921 -9.033 1.00 0.53 H new ATOM 0 HG12 VAL A 39 11.949 4.103 -10.131 1.00 0.53 H new ATOM 0 HG13 VAL A 39 11.036 2.576 -10.096 1.00 0.53 H new ATOM 0 HG21 VAL A 39 10.722 2.406 -7.052 1.00 0.53 H new ATOM 0 HG22 VAL A 39 11.200 1.065 -8.120 1.00 0.53 H new ATOM 0 HG23 VAL A 39 12.228 1.512 -6.738 1.00 0.53 H new ATOM 570 N ASP A 40 15.621 2.945 -8.128 1.00 0.63 N ATOM 571 CA ASP A 40 16.770 2.894 -7.180 1.00 0.69 C ATOM 572 C ASP A 40 16.345 3.451 -5.819 1.00 0.69 C ATOM 573 O ASP A 40 16.084 4.629 -5.674 1.00 0.82 O ATOM 574 CB ASP A 40 17.925 3.732 -7.734 1.00 0.89 C ATOM 575 CG ASP A 40 18.314 3.216 -9.120 1.00 0.97 C ATOM 576 OD1 ASP A 40 17.657 3.594 -10.077 1.00 1.48 O ATOM 577 OD2 ASP A 40 19.262 2.452 -9.202 1.00 1.52 O ATOM 0 H ASP A 40 15.653 3.703 -8.809 1.00 0.63 H new ATOM 0 HA ASP A 40 17.092 1.859 -7.061 1.00 0.69 H new ATOM 0 HB2 ASP A 40 17.631 4.780 -7.794 1.00 0.89 H new ATOM 0 HB3 ASP A 40 18.781 3.679 -7.062 1.00 0.89 H new ATOM 582 N LEU A 41 16.277 2.615 -4.819 1.00 0.66 N ATOM 583 CA LEU A 41 15.874 3.098 -3.467 1.00 0.75 C ATOM 584 C LEU A 41 16.973 2.760 -2.458 1.00 0.87 C ATOM 585 O LEU A 41 16.795 1.927 -1.590 1.00 1.01 O ATOM 586 CB LEU A 41 14.570 2.417 -3.044 1.00 0.75 C ATOM 587 CG LEU A 41 13.378 3.186 -3.620 1.00 0.83 C ATOM 588 CD1 LEU A 41 13.359 4.605 -3.049 1.00 1.43 C ATOM 589 CD2 LEU A 41 13.502 3.250 -5.144 1.00 1.29 C ATOM 0 H LEU A 41 16.483 1.618 -4.880 1.00 0.66 H new ATOM 0 HA LEU A 41 15.725 4.177 -3.499 1.00 0.75 H new ATOM 0 HB2 LEU A 41 14.555 1.386 -3.397 1.00 0.75 H new ATOM 0 HB3 LEU A 41 14.502 2.382 -1.957 1.00 0.75 H new ATOM 0 HG LEU A 41 12.453 2.676 -3.351 1.00 0.83 H new ATOM 0 HD11 LEU A 41 12.510 5.151 -3.460 1.00 1.43 H new ATOM 0 HD12 LEU A 41 13.270 4.559 -1.964 1.00 1.43 H new ATOM 0 HD13 LEU A 41 14.283 5.117 -3.316 1.00 1.43 H new ATOM 0 HD21 LEU A 41 12.654 3.797 -5.555 1.00 1.29 H new ATOM 0 HD22 LEU A 41 14.427 3.759 -5.413 1.00 1.29 H new ATOM 0 HD23 LEU A 41 13.513 2.239 -5.551 1.00 1.29 H new ATOM 601 N PRO A 42 18.104 3.402 -2.575 1.00 1.05 N ATOM 602 CA PRO A 42 19.261 3.174 -1.663 1.00 1.24 C ATOM 603 C PRO A 42 19.010 3.725 -0.257 1.00 1.38 C ATOM 604 O PRO A 42 18.456 3.055 0.592 1.00 1.93 O ATOM 605 CB PRO A 42 20.413 3.926 -2.333 1.00 1.64 C ATOM 606 CG PRO A 42 19.770 4.966 -3.190 1.00 1.67 C ATOM 607 CD PRO A 42 18.399 4.421 -3.595 1.00 1.29 C ATOM 0 HA PRO A 42 19.459 2.111 -1.524 1.00 1.24 H new ATOM 0 HB2 PRO A 42 21.069 4.381 -1.590 1.00 1.64 H new ATOM 0 HB3 PRO A 42 21.027 3.251 -2.930 1.00 1.64 H new ATOM 0 HG2 PRO A 42 19.667 5.905 -2.646 1.00 1.67 H new ATOM 0 HG3 PRO A 42 20.379 5.172 -4.070 1.00 1.67 H new ATOM 0 HD2 PRO A 42 17.644 5.207 -3.604 1.00 1.29 H new ATOM 0 HD3 PRO A 42 18.421 3.989 -4.596 1.00 1.29 H new ATOM 615 N GLY A 43 19.413 4.941 -0.004 1.00 1.44 N ATOM 616 CA GLY A 43 19.197 5.531 1.348 1.00 1.89 C ATOM 617 C GLY A 43 19.375 7.049 1.278 1.00 1.49 C ATOM 618 O GLY A 43 19.905 7.579 0.320 1.00 2.02 O ATOM 0 H GLY A 43 19.882 5.550 -0.674 1.00 1.44 H new ATOM 0 HA2 GLY A 43 18.197 5.288 1.707 1.00 1.89 H new ATOM 0 HA3 GLY A 43 19.904 5.104 2.060 1.00 1.89 H new ATOM 622 N GLY A 44 18.937 7.754 2.284 1.00 1.23 N ATOM 623 CA GLY A 44 19.081 9.238 2.274 1.00 1.39 C ATOM 624 C GLY A 44 17.702 9.885 2.405 1.00 1.33 C ATOM 625 O GLY A 44 17.581 11.082 2.584 1.00 1.70 O ATOM 0 H GLY A 44 18.486 7.367 3.113 1.00 1.23 H new ATOM 0 HA2 GLY A 44 19.724 9.557 3.095 1.00 1.39 H new ATOM 0 HA3 GLY A 44 19.560 9.561 1.350 1.00 1.39 H new ATOM 629 N GLN A 45 16.659 9.106 2.319 1.00 1.07 N ATOM 630 CA GLN A 45 15.288 9.676 2.441 1.00 1.14 C ATOM 631 C GLN A 45 14.760 9.439 3.857 1.00 1.29 C ATOM 632 O GLN A 45 14.619 8.316 4.298 1.00 1.61 O ATOM 633 CB GLN A 45 14.361 8.994 1.432 1.00 1.13 C ATOM 634 CG GLN A 45 14.363 9.774 0.115 1.00 1.62 C ATOM 635 CD GLN A 45 13.104 9.430 -0.683 1.00 1.60 C ATOM 636 OE1 GLN A 45 12.245 8.716 -0.205 1.00 2.08 O ATOM 637 NE2 GLN A 45 12.956 9.912 -1.886 1.00 1.98 N ATOM 0 H GLN A 45 16.697 8.098 2.169 1.00 1.07 H new ATOM 0 HA GLN A 45 15.321 10.747 2.240 1.00 1.14 H new ATOM 0 HB2 GLN A 45 14.689 7.969 1.258 1.00 1.13 H new ATOM 0 HB3 GLN A 45 13.349 8.941 1.832 1.00 1.13 H new ATOM 0 HG2 GLN A 45 14.399 10.845 0.314 1.00 1.62 H new ATOM 0 HG3 GLN A 45 15.253 9.528 -0.465 1.00 1.62 H new ATOM 0 HE21 GLN A 45 13.677 10.511 -2.287 1.00 1.98 H new ATOM 0 HE22 GLN A 45 12.119 9.689 -2.425 1.00 1.98 H new ATOM 646 N GLY A 46 14.467 10.490 4.572 1.00 1.67 N ATOM 647 CA GLY A 46 13.948 10.326 5.958 1.00 2.03 C ATOM 648 C GLY A 46 12.435 10.551 5.967 1.00 1.65 C ATOM 649 O GLY A 46 11.909 11.266 6.798 1.00 1.88 O ATOM 0 H GLY A 46 14.565 11.455 4.256 1.00 1.67 H new ATOM 0 HA2 GLY A 46 14.180 9.328 6.329 1.00 2.03 H new ATOM 0 HA3 GLY A 46 14.436 11.035 6.627 1.00 2.03 H new ATOM 653 N ASN A 47 11.729 9.950 5.049 1.00 1.40 N ATOM 654 CA ASN A 47 10.251 10.133 5.008 1.00 1.18 C ATOM 655 C ASN A 47 9.640 9.165 3.992 1.00 0.95 C ATOM 656 O ASN A 47 9.708 9.385 2.798 1.00 0.94 O ATOM 657 CB ASN A 47 9.930 11.571 4.596 1.00 1.42 C ATOM 658 CG ASN A 47 11.013 12.084 3.645 1.00 1.71 C ATOM 659 OD1 ASN A 47 11.637 11.241 2.870 1.00 2.29 O flip ATOM 660 ND2 ASN A 47 11.295 13.266 3.610 1.00 2.05 N flip ATOM 0 H ASN A 47 12.112 9.341 4.326 1.00 1.40 H new ATOM 0 HA ASN A 47 9.834 9.932 5.995 1.00 1.18 H new ATOM 0 HB2 ASN A 47 8.955 11.612 4.110 1.00 1.42 H new ATOM 0 HB3 ASN A 47 9.874 12.209 5.478 1.00 1.42 H new ATOM 0 HD21 ASN A 47 10.807 13.925 4.216 1.00 2.05 H new ATOM 0 HD22 ASN A 47 12.020 13.599 2.974 1.00 2.05 H new ATOM 667 N PRO A 48 9.045 8.101 4.461 1.00 0.99 N ATOM 668 CA PRO A 48 8.407 7.079 3.582 1.00 0.92 C ATOM 669 C PRO A 48 7.514 7.709 2.509 1.00 0.85 C ATOM 670 O PRO A 48 7.296 7.140 1.459 1.00 1.07 O ATOM 671 CB PRO A 48 7.568 6.243 4.549 1.00 1.14 C ATOM 672 CG PRO A 48 8.243 6.378 5.873 1.00 1.58 C ATOM 673 CD PRO A 48 8.916 7.751 5.886 1.00 1.36 C ATOM 0 HA PRO A 48 9.149 6.499 3.033 1.00 0.92 H new ATOM 0 HB2 PRO A 48 6.541 6.605 4.592 1.00 1.14 H new ATOM 0 HB3 PRO A 48 7.526 5.201 4.233 1.00 1.14 H new ATOM 0 HG2 PRO A 48 7.521 6.293 6.686 1.00 1.58 H new ATOM 0 HG3 PRO A 48 8.978 5.586 6.015 1.00 1.58 H new ATOM 0 HD2 PRO A 48 8.315 8.484 6.424 1.00 1.36 H new ATOM 0 HD3 PRO A 48 9.888 7.714 6.377 1.00 1.36 H new ATOM 681 N TRP A 49 6.994 8.879 2.763 1.00 0.89 N ATOM 682 CA TRP A 49 6.116 9.538 1.756 1.00 1.01 C ATOM 683 C TRP A 49 6.949 10.481 0.885 1.00 1.03 C ATOM 684 O TRP A 49 6.556 11.598 0.611 1.00 1.35 O ATOM 685 CB TRP A 49 5.023 10.334 2.472 1.00 1.33 C ATOM 686 CG TRP A 49 5.630 11.526 3.139 1.00 1.46 C ATOM 687 CD1 TRP A 49 5.658 12.774 2.621 1.00 2.15 C ATOM 688 CD2 TRP A 49 6.291 11.604 4.436 1.00 1.70 C ATOM 689 NE1 TRP A 49 6.296 13.615 3.515 1.00 2.18 N ATOM 690 CE2 TRP A 49 6.704 12.941 4.649 1.00 1.83 C ATOM 691 CE3 TRP A 49 6.568 10.656 5.437 1.00 2.57 C ATOM 692 CZ2 TRP A 49 7.371 13.322 5.816 1.00 2.27 C ATOM 693 CZ3 TRP A 49 7.238 11.035 6.610 1.00 3.34 C ATOM 694 CH2 TRP A 49 7.638 12.366 6.799 1.00 3.05 C ATOM 0 H TRP A 49 7.139 9.406 3.624 1.00 0.89 H new ATOM 0 HA TRP A 49 5.656 8.777 1.126 1.00 1.01 H new ATOM 0 HB2 TRP A 49 4.263 10.651 1.758 1.00 1.33 H new ATOM 0 HB3 TRP A 49 4.525 9.705 3.210 1.00 1.33 H new ATOM 0 HD1 TRP A 49 5.249 13.067 1.665 1.00 2.15 H new ATOM 0 HE1 TRP A 49 6.447 14.611 3.356 1.00 2.18 H new ATOM 0 HE3 TRP A 49 6.263 9.629 5.302 1.00 2.57 H new ATOM 0 HZ2 TRP A 49 7.678 14.348 5.957 1.00 2.27 H new ATOM 0 HZ3 TRP A 49 7.447 10.298 7.371 1.00 3.34 H new ATOM 0 HH2 TRP A 49 8.152 12.652 7.705 1.00 3.05 H new ATOM 705 N ASP A 50 8.095 10.038 0.442 1.00 0.88 N ATOM 706 CA ASP A 50 8.950 10.906 -0.414 1.00 1.05 C ATOM 707 C ASP A 50 9.399 10.118 -1.646 1.00 1.00 C ATOM 708 O ASP A 50 10.271 10.536 -2.381 1.00 1.39 O ATOM 709 CB ASP A 50 10.179 11.355 0.379 1.00 1.17 C ATOM 710 CG ASP A 50 9.814 12.563 1.246 1.00 1.45 C ATOM 711 OD1 ASP A 50 8.721 12.571 1.787 1.00 1.97 O ATOM 712 OD2 ASP A 50 10.636 13.458 1.354 1.00 1.79 O ATOM 0 H ASP A 50 8.475 9.112 0.637 1.00 0.88 H new ATOM 0 HA ASP A 50 8.381 11.782 -0.727 1.00 1.05 H new ATOM 0 HB2 ASP A 50 10.538 10.539 1.006 1.00 1.17 H new ATOM 0 HB3 ASP A 50 10.990 11.614 -0.302 1.00 1.17 H new ATOM 717 N ALA A 51 8.807 8.978 -1.875 1.00 0.82 N ATOM 718 CA ALA A 51 9.194 8.156 -3.057 1.00 0.84 C ATOM 719 C ALA A 51 8.255 6.954 -3.165 1.00 0.71 C ATOM 720 O ALA A 51 7.882 6.357 -2.174 1.00 0.88 O ATOM 721 CB ALA A 51 10.634 7.665 -2.889 1.00 0.91 C ATOM 0 H ALA A 51 8.070 8.579 -1.293 1.00 0.82 H new ATOM 0 HA ALA A 51 9.121 8.760 -3.961 1.00 0.84 H new ATOM 0 HB1 ALA A 51 10.917 7.064 -3.753 1.00 0.91 H new ATOM 0 HB2 ALA A 51 11.303 8.521 -2.808 1.00 0.91 H new ATOM 0 HB3 ALA A 51 10.709 7.059 -1.986 1.00 0.91 H new ATOM 727 N GLY A 52 7.867 6.594 -4.357 1.00 0.57 N ATOM 728 CA GLY A 52 6.949 5.432 -4.518 1.00 0.54 C ATOM 729 C GLY A 52 6.020 5.671 -5.708 1.00 0.49 C ATOM 730 O GLY A 52 6.159 6.639 -6.430 1.00 0.60 O ATOM 0 H GLY A 52 8.145 7.053 -5.224 1.00 0.57 H new ATOM 0 HA2 GLY A 52 7.525 4.520 -4.671 1.00 0.54 H new ATOM 0 HA3 GLY A 52 6.363 5.290 -3.610 1.00 0.54 H new ATOM 734 N LEU A 53 5.073 4.798 -5.923 1.00 0.43 N ATOM 735 CA LEU A 53 4.144 4.988 -7.071 1.00 0.43 C ATOM 736 C LEU A 53 2.790 5.489 -6.568 1.00 0.39 C ATOM 737 O LEU A 53 2.620 5.791 -5.404 1.00 0.60 O ATOM 738 CB LEU A 53 3.940 3.665 -7.811 1.00 0.58 C ATOM 739 CG LEU A 53 5.089 2.709 -7.497 1.00 0.95 C ATOM 740 CD1 LEU A 53 4.778 1.343 -8.108 1.00 1.57 C ATOM 741 CD2 LEU A 53 6.388 3.255 -8.096 1.00 1.65 C ATOM 0 H LEU A 53 4.904 3.967 -5.357 1.00 0.43 H new ATOM 0 HA LEU A 53 4.580 5.721 -7.750 1.00 0.43 H new ATOM 0 HB2 LEU A 53 2.992 3.216 -7.516 1.00 0.58 H new ATOM 0 HB3 LEU A 53 3.888 3.844 -8.885 1.00 0.58 H new ATOM 0 HG LEU A 53 5.205 2.613 -6.417 1.00 0.95 H new ATOM 0 HD11 LEU A 53 5.593 0.653 -7.889 1.00 1.57 H new ATOM 0 HD12 LEU A 53 3.851 0.957 -7.683 1.00 1.57 H new ATOM 0 HD13 LEU A 53 4.668 1.444 -9.188 1.00 1.57 H new ATOM 0 HD21 LEU A 53 7.207 2.572 -7.871 1.00 1.65 H new ATOM 0 HD22 LEU A 53 6.279 3.348 -9.177 1.00 1.65 H new ATOM 0 HD23 LEU A 53 6.603 4.234 -7.667 1.00 1.65 H new ATOM 753 N VAL A 54 1.828 5.580 -7.445 1.00 0.43 N ATOM 754 CA VAL A 54 0.481 6.065 -7.033 1.00 0.42 C ATOM 755 C VAL A 54 -0.539 5.717 -8.121 1.00 0.42 C ATOM 756 O VAL A 54 -0.184 5.261 -9.190 1.00 0.49 O ATOM 757 CB VAL A 54 0.521 7.586 -6.852 1.00 0.55 C ATOM 758 CG1 VAL A 54 0.077 7.956 -5.436 1.00 1.20 C ATOM 759 CG2 VAL A 54 1.946 8.098 -7.086 1.00 1.48 C ATOM 0 H VAL A 54 1.918 5.339 -8.432 1.00 0.43 H new ATOM 0 HA VAL A 54 0.196 5.590 -6.094 1.00 0.42 H new ATOM 0 HB VAL A 54 -0.155 8.045 -7.574 1.00 0.55 H new ATOM 0 HG11 VAL A 54 0.108 9.039 -5.316 1.00 1.20 H new ATOM 0 HG12 VAL A 54 -0.940 7.602 -5.269 1.00 1.20 H new ATOM 0 HG13 VAL A 54 0.746 7.491 -4.712 1.00 1.20 H new ATOM 0 HG21 VAL A 54 1.970 9.180 -6.956 1.00 1.48 H new ATOM 0 HG22 VAL A 54 2.622 7.632 -6.370 1.00 1.48 H new ATOM 0 HG23 VAL A 54 2.261 7.847 -8.099 1.00 1.48 H new ATOM 769 N TYR A 55 -1.800 5.934 -7.860 1.00 0.41 N ATOM 770 CA TYR A 55 -2.842 5.624 -8.883 1.00 0.43 C ATOM 771 C TYR A 55 -4.232 5.741 -8.254 1.00 0.44 C ATOM 772 O TYR A 55 -4.440 5.388 -7.110 1.00 0.50 O ATOM 773 CB TYR A 55 -2.643 4.201 -9.411 1.00 0.44 C ATOM 774 CG TYR A 55 -3.883 3.764 -10.153 1.00 0.52 C ATOM 775 CD1 TYR A 55 -4.335 4.502 -11.253 1.00 1.24 C ATOM 776 CD2 TYR A 55 -4.583 2.623 -9.740 1.00 1.33 C ATOM 777 CE1 TYR A 55 -5.487 4.101 -11.940 1.00 1.29 C ATOM 778 CE2 TYR A 55 -5.735 2.222 -10.428 1.00 1.44 C ATOM 779 CZ TYR A 55 -6.187 2.961 -11.528 1.00 0.84 C ATOM 780 OH TYR A 55 -7.324 2.567 -12.203 1.00 1.03 O ATOM 0 H TYR A 55 -2.155 6.313 -6.982 1.00 0.41 H new ATOM 0 HA TYR A 55 -2.754 6.332 -9.707 1.00 0.43 H new ATOM 0 HB2 TYR A 55 -1.778 4.165 -10.073 1.00 0.44 H new ATOM 0 HB3 TYR A 55 -2.441 3.519 -8.585 1.00 0.44 H new ATOM 0 HD1 TYR A 55 -3.795 5.381 -11.572 1.00 1.24 H new ATOM 0 HD2 TYR A 55 -4.234 2.053 -8.892 1.00 1.33 H new ATOM 0 HE1 TYR A 55 -5.836 4.671 -12.788 1.00 1.29 H new ATOM 0 HE2 TYR A 55 -6.275 1.342 -10.110 1.00 1.44 H new ATOM 0 HH TYR A 55 -7.637 3.301 -12.772 1.00 1.03 H new ATOM 790 N ASN A 56 -5.187 6.233 -8.995 1.00 0.47 N ATOM 791 CA ASN A 56 -6.562 6.372 -8.446 1.00 0.51 C ATOM 792 C ASN A 56 -7.448 5.255 -9.001 1.00 0.57 C ATOM 793 O ASN A 56 -6.966 4.277 -9.537 1.00 0.95 O ATOM 794 CB ASN A 56 -7.134 7.731 -8.856 1.00 0.64 C ATOM 795 CG ASN A 56 -6.791 8.773 -7.790 1.00 0.68 C ATOM 796 OD1 ASN A 56 -5.858 8.513 -6.916 1.00 0.89 O flip ATOM 797 ND2 ASN A 56 -7.380 9.836 -7.752 1.00 0.64 N flip ATOM 0 H ASN A 56 -5.072 6.545 -9.959 1.00 0.47 H new ATOM 0 HA ASN A 56 -6.531 6.302 -7.359 1.00 0.51 H new ATOM 0 HB2 ASN A 56 -6.725 8.034 -9.820 1.00 0.64 H new ATOM 0 HB3 ASN A 56 -8.215 7.661 -8.976 1.00 0.64 H new ATOM 0 HD21 ASN A 56 -8.109 10.040 -8.435 1.00 0.64 H new ATOM 0 HD22 ASN A 56 -7.145 10.524 -7.037 1.00 0.64 H new ATOM 804 N GLY A 57 -8.740 5.390 -8.876 1.00 0.65 N ATOM 805 CA GLY A 57 -9.653 4.333 -9.396 1.00 0.71 C ATOM 806 C GLY A 57 -9.709 3.174 -8.399 1.00 0.70 C ATOM 807 O GLY A 57 -9.218 2.094 -8.661 1.00 0.84 O ATOM 0 H GLY A 57 -9.203 6.186 -8.437 1.00 0.65 H new ATOM 0 HA2 GLY A 57 -10.651 4.743 -9.550 1.00 0.71 H new ATOM 0 HA3 GLY A 57 -9.301 3.977 -10.364 1.00 0.71 H new ATOM 811 N VAL A 58 -10.297 3.392 -7.256 1.00 0.64 N ATOM 812 CA VAL A 58 -10.378 2.306 -6.240 1.00 0.70 C ATOM 813 C VAL A 58 -11.592 2.539 -5.337 1.00 0.64 C ATOM 814 O VAL A 58 -11.457 2.936 -4.197 1.00 0.75 O ATOM 815 CB VAL A 58 -9.104 2.314 -5.394 1.00 0.79 C ATOM 816 CG1 VAL A 58 -9.132 1.139 -4.414 1.00 1.63 C ATOM 817 CG2 VAL A 58 -7.884 2.184 -6.309 1.00 1.60 C ATOM 0 H VAL A 58 -10.725 4.276 -6.981 1.00 0.64 H new ATOM 0 HA VAL A 58 -10.481 1.343 -6.741 1.00 0.70 H new ATOM 0 HB VAL A 58 -9.045 3.249 -4.837 1.00 0.79 H new ATOM 0 HG11 VAL A 58 -8.224 1.146 -3.812 1.00 1.63 H new ATOM 0 HG12 VAL A 58 -10.001 1.230 -3.762 1.00 1.63 H new ATOM 0 HG13 VAL A 58 -9.192 0.203 -4.970 1.00 1.63 H new ATOM 0 HG21 VAL A 58 -6.975 2.190 -5.707 1.00 1.60 H new ATOM 0 HG22 VAL A 58 -7.945 1.249 -6.866 1.00 1.60 H new ATOM 0 HG23 VAL A 58 -7.862 3.021 -7.007 1.00 1.60 H new ATOM 827 N PRO A 59 -12.770 2.295 -5.847 1.00 0.59 N ATOM 828 CA PRO A 59 -14.033 2.483 -5.076 1.00 0.60 C ATOM 829 C PRO A 59 -14.179 1.453 -3.952 1.00 0.63 C ATOM 830 O PRO A 59 -14.193 0.261 -4.188 1.00 0.79 O ATOM 831 CB PRO A 59 -15.137 2.297 -6.118 1.00 0.70 C ATOM 832 CG PRO A 59 -14.523 1.492 -7.216 1.00 0.84 C ATOM 833 CD PRO A 59 -13.028 1.814 -7.214 1.00 0.70 C ATOM 0 HA PRO A 59 -14.064 3.456 -4.585 1.00 0.60 H new ATOM 0 HB2 PRO A 59 -15.998 1.783 -5.690 1.00 0.70 H new ATOM 0 HB3 PRO A 59 -15.492 3.259 -6.489 1.00 0.70 H new ATOM 0 HG2 PRO A 59 -14.690 0.427 -7.055 1.00 0.84 H new ATOM 0 HG3 PRO A 59 -14.972 1.743 -8.177 1.00 0.84 H new ATOM 0 HD2 PRO A 59 -12.430 0.933 -7.447 1.00 0.70 H new ATOM 0 HD3 PRO A 59 -12.782 2.572 -7.957 1.00 0.70 H new ATOM 841 N VAL A 60 -14.284 1.902 -2.732 1.00 0.66 N ATOM 842 CA VAL A 60 -14.424 0.949 -1.597 1.00 0.74 C ATOM 843 C VAL A 60 -15.864 0.974 -1.078 1.00 0.69 C ATOM 844 O VAL A 60 -16.422 2.021 -0.816 1.00 0.83 O ATOM 845 CB VAL A 60 -13.471 1.351 -0.470 1.00 0.88 C ATOM 846 CG1 VAL A 60 -13.351 0.201 0.532 1.00 1.04 C ATOM 847 CG2 VAL A 60 -12.092 1.663 -1.057 1.00 1.16 C ATOM 0 H VAL A 60 -14.279 2.888 -2.472 1.00 0.66 H new ATOM 0 HA VAL A 60 -14.179 -0.056 -1.940 1.00 0.74 H new ATOM 0 HB VAL A 60 -13.859 2.234 0.037 1.00 0.88 H new ATOM 0 HG11 VAL A 60 -12.672 0.487 1.335 1.00 1.04 H new ATOM 0 HG12 VAL A 60 -14.333 -0.022 0.949 1.00 1.04 H new ATOM 0 HG13 VAL A 60 -12.963 -0.683 0.026 1.00 1.04 H new ATOM 0 HG21 VAL A 60 -11.412 1.950 -0.255 1.00 1.16 H new ATOM 0 HG22 VAL A 60 -11.704 0.779 -1.564 1.00 1.16 H new ATOM 0 HG23 VAL A 60 -12.177 2.482 -1.771 1.00 1.16 H new ATOM 857 N GLY A 61 -16.468 -0.172 -0.927 1.00 0.76 N ATOM 858 CA GLY A 61 -17.870 -0.217 -0.423 1.00 0.76 C ATOM 859 C GLY A 61 -17.891 -0.870 0.960 1.00 0.73 C ATOM 860 O GLY A 61 -17.801 -2.074 1.091 1.00 0.82 O ATOM 0 H GLY A 61 -16.051 -1.080 -1.131 1.00 0.76 H new ATOM 0 HA2 GLY A 61 -18.281 0.791 -0.368 1.00 0.76 H new ATOM 0 HA3 GLY A 61 -18.498 -0.780 -1.113 1.00 0.76 H new ATOM 864 N GLU A 62 -18.008 -0.083 1.994 1.00 0.78 N ATOM 865 CA GLU A 62 -18.032 -0.657 3.368 1.00 0.89 C ATOM 866 C GLU A 62 -18.916 -1.907 3.387 1.00 0.89 C ATOM 867 O GLU A 62 -20.070 -1.867 3.007 1.00 1.04 O ATOM 868 CB GLU A 62 -18.596 0.380 4.343 1.00 1.06 C ATOM 869 CG GLU A 62 -18.994 -0.309 5.649 1.00 1.32 C ATOM 870 CD GLU A 62 -20.484 -0.653 5.613 1.00 2.11 C ATOM 871 OE1 GLU A 62 -21.058 -0.597 4.538 1.00 2.73 O ATOM 872 OE2 GLU A 62 -21.027 -0.963 6.660 1.00 2.72 O ATOM 0 H GLU A 62 -18.088 0.933 1.946 1.00 0.78 H new ATOM 0 HA GLU A 62 -17.019 -0.926 3.666 1.00 0.89 H new ATOM 0 HB2 GLU A 62 -17.852 1.152 4.539 1.00 1.06 H new ATOM 0 HB3 GLU A 62 -19.461 0.875 3.903 1.00 1.06 H new ATOM 0 HG2 GLU A 62 -18.404 -1.215 5.789 1.00 1.32 H new ATOM 0 HG3 GLU A 62 -18.781 0.343 6.496 1.00 1.32 H new ATOM 879 N GLY A 63 -18.386 -3.015 3.826 1.00 0.88 N ATOM 880 CA GLY A 63 -19.199 -4.263 3.870 1.00 0.95 C ATOM 881 C GLY A 63 -18.484 -5.374 3.098 1.00 0.88 C ATOM 882 O GLY A 63 -18.486 -6.520 3.500 1.00 0.99 O ATOM 0 H GLY A 63 -17.426 -3.110 4.156 1.00 0.88 H new ATOM 0 HA2 GLY A 63 -19.356 -4.569 4.904 1.00 0.95 H new ATOM 0 HA3 GLY A 63 -20.183 -4.082 3.438 1.00 0.95 H new ATOM 886 N GLU A 64 -17.876 -5.046 1.991 1.00 0.82 N ATOM 887 CA GLU A 64 -17.168 -6.087 1.195 1.00 0.85 C ATOM 888 C GLU A 64 -15.666 -6.018 1.476 1.00 0.75 C ATOM 889 O GLU A 64 -15.182 -5.098 2.104 1.00 0.77 O ATOM 890 CB GLU A 64 -17.419 -5.841 -0.295 1.00 0.98 C ATOM 891 CG GLU A 64 -18.673 -6.600 -0.734 1.00 1.15 C ATOM 892 CD GLU A 64 -19.154 -6.056 -2.080 1.00 1.79 C ATOM 893 OE1 GLU A 64 -19.374 -4.859 -2.169 1.00 2.59 O ATOM 894 OE2 GLU A 64 -19.297 -6.846 -3.000 1.00 2.20 O ATOM 0 H GLU A 64 -17.839 -4.103 1.604 1.00 0.82 H new ATOM 0 HA GLU A 64 -17.541 -7.073 1.473 1.00 0.85 H new ATOM 0 HB2 GLU A 64 -17.542 -4.774 -0.483 1.00 0.98 H new ATOM 0 HB3 GLU A 64 -16.559 -6.170 -0.879 1.00 0.98 H new ATOM 0 HG2 GLU A 64 -18.456 -7.665 -0.817 1.00 1.15 H new ATOM 0 HG3 GLU A 64 -19.457 -6.492 0.015 1.00 1.15 H new ATOM 901 N SER A 65 -14.924 -6.987 1.012 1.00 0.73 N ATOM 902 CA SER A 65 -13.452 -6.980 1.247 1.00 0.66 C ATOM 903 C SER A 65 -12.727 -6.883 -0.096 1.00 0.60 C ATOM 904 O SER A 65 -13.174 -7.416 -1.092 1.00 0.65 O ATOM 905 CB SER A 65 -13.042 -8.273 1.954 1.00 0.71 C ATOM 906 OG SER A 65 -13.486 -8.232 3.303 1.00 0.82 O ATOM 0 H SER A 65 -15.274 -7.784 0.480 1.00 0.73 H new ATOM 0 HA SER A 65 -13.186 -6.126 1.870 1.00 0.66 H new ATOM 0 HB2 SER A 65 -13.474 -9.133 1.443 1.00 0.71 H new ATOM 0 HB3 SER A 65 -11.959 -8.392 1.919 1.00 0.71 H new ATOM 0 HG SER A 65 -13.226 -9.060 3.758 1.00 0.82 H new ATOM 912 N TYR A 66 -11.615 -6.202 -0.137 1.00 0.55 N ATOM 913 CA TYR A 66 -10.874 -6.071 -1.420 1.00 0.51 C ATOM 914 C TYR A 66 -9.566 -6.860 -1.342 1.00 0.47 C ATOM 915 O TYR A 66 -9.253 -7.465 -0.337 1.00 0.48 O ATOM 916 CB TYR A 66 -10.563 -4.599 -1.673 1.00 0.52 C ATOM 917 CG TYR A 66 -11.769 -3.933 -2.290 1.00 0.59 C ATOM 918 CD1 TYR A 66 -12.751 -3.368 -1.468 1.00 1.40 C ATOM 919 CD2 TYR A 66 -11.908 -3.883 -3.682 1.00 1.34 C ATOM 920 CE1 TYR A 66 -13.873 -2.754 -2.038 1.00 1.47 C ATOM 921 CE2 TYR A 66 -13.029 -3.270 -4.252 1.00 1.39 C ATOM 922 CZ TYR A 66 -14.012 -2.705 -3.430 1.00 0.82 C ATOM 923 OH TYR A 66 -15.117 -2.100 -3.993 1.00 0.96 O ATOM 0 H TYR A 66 -11.189 -5.732 0.662 1.00 0.55 H new ATOM 0 HA TYR A 66 -11.484 -6.464 -2.233 1.00 0.51 H new ATOM 0 HB2 TYR A 66 -10.299 -4.105 -0.738 1.00 0.52 H new ATOM 0 HB3 TYR A 66 -9.703 -4.506 -2.336 1.00 0.52 H new ATOM 0 HD1 TYR A 66 -12.643 -3.406 -0.394 1.00 1.40 H new ATOM 0 HD2 TYR A 66 -11.150 -4.318 -4.316 1.00 1.34 H new ATOM 0 HE1 TYR A 66 -14.631 -2.318 -1.404 1.00 1.47 H new ATOM 0 HE2 TYR A 66 -13.136 -3.233 -5.326 1.00 1.39 H new ATOM 0 HH TYR A 66 -14.852 -1.249 -4.401 1.00 0.96 H new ATOM 933 N VAL A 67 -8.803 -6.852 -2.401 1.00 0.46 N ATOM 934 CA VAL A 67 -7.513 -7.598 -2.403 1.00 0.45 C ATOM 935 C VAL A 67 -6.543 -6.930 -3.382 1.00 0.44 C ATOM 936 O VAL A 67 -6.949 -6.349 -4.369 1.00 0.63 O ATOM 937 CB VAL A 67 -7.763 -9.043 -2.843 1.00 0.52 C ATOM 938 CG1 VAL A 67 -6.623 -9.934 -2.348 1.00 0.72 C ATOM 939 CG2 VAL A 67 -9.087 -9.535 -2.253 1.00 0.99 C ATOM 0 H VAL A 67 -9.019 -6.359 -3.268 1.00 0.46 H new ATOM 0 HA VAL A 67 -7.085 -7.590 -1.401 1.00 0.45 H new ATOM 0 HB VAL A 67 -7.811 -9.086 -3.931 1.00 0.52 H new ATOM 0 HG11 VAL A 67 -6.802 -10.962 -2.662 1.00 0.72 H new ATOM 0 HG12 VAL A 67 -5.680 -9.585 -2.769 1.00 0.72 H new ATOM 0 HG13 VAL A 67 -6.573 -9.890 -1.260 1.00 0.72 H new ATOM 0 HG21 VAL A 67 -9.265 -10.564 -2.566 1.00 0.99 H new ATOM 0 HG22 VAL A 67 -9.040 -9.490 -1.165 1.00 0.99 H new ATOM 0 HG23 VAL A 67 -9.901 -8.902 -2.607 1.00 0.99 H new ATOM 949 N LEU A 68 -5.266 -7.005 -3.120 1.00 0.40 N ATOM 950 CA LEU A 68 -4.281 -6.370 -4.044 1.00 0.39 C ATOM 951 C LEU A 68 -3.128 -7.339 -4.321 1.00 0.39 C ATOM 952 O LEU A 68 -2.386 -7.707 -3.433 1.00 0.48 O ATOM 953 CB LEU A 68 -3.728 -5.094 -3.402 1.00 0.41 C ATOM 954 CG LEU A 68 -3.361 -4.086 -4.492 1.00 0.41 C ATOM 955 CD1 LEU A 68 -4.612 -3.314 -4.917 1.00 0.74 C ATOM 956 CD2 LEU A 68 -2.320 -3.105 -3.947 1.00 0.86 C ATOM 0 H LEU A 68 -4.863 -7.476 -2.310 1.00 0.40 H new ATOM 0 HA LEU A 68 -4.778 -6.124 -4.982 1.00 0.39 H new ATOM 0 HB2 LEU A 68 -4.470 -4.663 -2.729 1.00 0.41 H new ATOM 0 HB3 LEU A 68 -2.850 -5.329 -2.800 1.00 0.41 H new ATOM 0 HG LEU A 68 -2.951 -4.615 -5.352 1.00 0.41 H new ATOM 0 HD11 LEU A 68 -4.350 -2.596 -5.694 1.00 0.74 H new ATOM 0 HD12 LEU A 68 -5.356 -4.011 -5.303 1.00 0.74 H new ATOM 0 HD13 LEU A 68 -5.023 -2.785 -4.057 1.00 0.74 H new ATOM 0 HD21 LEU A 68 -2.057 -2.386 -4.722 1.00 0.86 H new ATOM 0 HD22 LEU A 68 -2.733 -2.577 -3.087 1.00 0.86 H new ATOM 0 HD23 LEU A 68 -1.428 -3.653 -3.643 1.00 0.86 H new ATOM 968 N SER A 69 -2.964 -7.743 -5.553 1.00 0.41 N ATOM 969 CA SER A 69 -1.851 -8.675 -5.895 1.00 0.44 C ATOM 970 C SER A 69 -0.809 -7.907 -6.708 1.00 0.41 C ATOM 971 O SER A 69 -0.842 -7.894 -7.923 1.00 0.46 O ATOM 972 CB SER A 69 -2.397 -9.838 -6.725 1.00 0.52 C ATOM 973 OG SER A 69 -2.960 -9.334 -7.927 1.00 1.15 O ATOM 0 H SER A 69 -3.554 -7.467 -6.338 1.00 0.41 H new ATOM 0 HA SER A 69 -1.398 -9.070 -4.986 1.00 0.44 H new ATOM 0 HB2 SER A 69 -1.598 -10.544 -6.952 1.00 0.52 H new ATOM 0 HB3 SER A 69 -3.151 -10.382 -6.157 1.00 0.52 H new ATOM 0 HG SER A 69 -3.764 -8.814 -7.719 1.00 1.15 H new ATOM 979 N PHE A 70 0.100 -7.242 -6.048 1.00 0.37 N ATOM 980 CA PHE A 70 1.120 -6.452 -6.797 1.00 0.36 C ATOM 981 C PHE A 70 2.383 -7.277 -7.053 1.00 0.34 C ATOM 982 O PHE A 70 2.881 -7.962 -6.183 1.00 0.38 O ATOM 983 CB PHE A 70 1.477 -5.184 -6.016 1.00 0.44 C ATOM 984 CG PHE A 70 1.977 -5.543 -4.638 1.00 0.46 C ATOM 985 CD1 PHE A 70 1.075 -5.652 -3.572 1.00 0.90 C ATOM 986 CD2 PHE A 70 3.345 -5.753 -4.422 1.00 0.93 C ATOM 987 CE1 PHE A 70 1.540 -5.975 -2.292 1.00 1.01 C ATOM 988 CE2 PHE A 70 3.810 -6.075 -3.142 1.00 1.05 C ATOM 989 CZ PHE A 70 2.908 -6.186 -2.077 1.00 0.81 C ATOM 0 H PHE A 70 0.181 -7.211 -5.032 1.00 0.37 H new ATOM 0 HA PHE A 70 0.692 -6.177 -7.761 1.00 0.36 H new ATOM 0 HB2 PHE A 70 2.241 -4.621 -6.552 1.00 0.44 H new ATOM 0 HB3 PHE A 70 0.602 -4.539 -5.937 1.00 0.44 H new ATOM 0 HD1 PHE A 70 0.021 -5.487 -3.738 1.00 0.90 H new ATOM 0 HD2 PHE A 70 4.041 -5.666 -5.243 1.00 0.93 H new ATOM 0 HE1 PHE A 70 0.844 -6.062 -1.470 1.00 1.01 H new ATOM 0 HE2 PHE A 70 4.865 -6.238 -2.976 1.00 1.05 H new ATOM 0 HZ PHE A 70 3.267 -6.434 -1.089 1.00 0.81 H new ATOM 999 N THR A 71 2.918 -7.188 -8.242 1.00 0.38 N ATOM 1000 CA THR A 71 4.167 -7.932 -8.565 1.00 0.47 C ATOM 1001 C THR A 71 5.356 -7.095 -8.095 1.00 0.53 C ATOM 1002 O THR A 71 5.595 -6.018 -8.602 1.00 0.73 O ATOM 1003 CB THR A 71 4.269 -8.129 -10.080 1.00 0.56 C ATOM 1004 OG1 THR A 71 3.749 -6.983 -10.738 1.00 0.52 O ATOM 1005 CG2 THR A 71 3.474 -9.366 -10.506 1.00 0.64 C ATOM 0 H THR A 71 2.540 -6.628 -9.006 1.00 0.38 H new ATOM 0 HA THR A 71 4.161 -8.904 -8.073 1.00 0.47 H new ATOM 0 HB THR A 71 5.315 -8.269 -10.352 1.00 0.56 H new ATOM 0 HG1 THR A 71 3.917 -6.187 -10.191 1.00 0.52 H new ATOM 0 HG21 THR A 71 3.554 -9.496 -11.585 1.00 0.64 H new ATOM 0 HG22 THR A 71 3.875 -10.247 -10.004 1.00 0.64 H new ATOM 0 HG23 THR A 71 2.427 -9.237 -10.233 1.00 0.64 H new ATOM 1013 N ALA A 72 6.099 -7.557 -7.128 1.00 0.48 N ATOM 1014 CA ALA A 72 7.252 -6.741 -6.654 1.00 0.57 C ATOM 1015 C ALA A 72 8.254 -7.612 -5.895 1.00 0.49 C ATOM 1016 O ALA A 72 7.895 -8.568 -5.235 1.00 0.67 O ATOM 1017 CB ALA A 72 6.741 -5.635 -5.730 1.00 0.70 C ATOM 0 H ALA A 72 5.962 -8.449 -6.652 1.00 0.48 H new ATOM 0 HA ALA A 72 7.753 -6.306 -7.519 1.00 0.57 H new ATOM 0 HB1 ALA A 72 7.582 -5.035 -5.381 1.00 0.70 H new ATOM 0 HB2 ALA A 72 6.043 -4.999 -6.275 1.00 0.70 H new ATOM 0 HB3 ALA A 72 6.233 -6.081 -4.875 1.00 0.70 H new ATOM 1023 N SER A 73 9.510 -7.272 -5.979 1.00 0.37 N ATOM 1024 CA SER A 73 10.556 -8.054 -5.261 1.00 0.45 C ATOM 1025 C SER A 73 11.491 -7.079 -4.544 1.00 0.42 C ATOM 1026 O SER A 73 11.964 -6.120 -5.121 1.00 0.54 O ATOM 1027 CB SER A 73 11.356 -8.884 -6.266 1.00 0.60 C ATOM 1028 OG SER A 73 11.399 -8.201 -7.511 1.00 0.78 O ATOM 0 H SER A 73 9.860 -6.480 -6.518 1.00 0.37 H new ATOM 0 HA SER A 73 10.089 -8.723 -4.538 1.00 0.45 H new ATOM 0 HB2 SER A 73 12.367 -9.050 -5.894 1.00 0.60 H new ATOM 0 HB3 SER A 73 10.897 -9.865 -6.392 1.00 0.60 H new ATOM 0 HG SER A 73 11.913 -8.730 -8.157 1.00 0.78 H new ATOM 1034 N ALA A 74 11.758 -7.311 -3.287 1.00 0.44 N ATOM 1035 CA ALA A 74 12.655 -6.389 -2.537 1.00 0.44 C ATOM 1036 C ALA A 74 14.093 -6.907 -2.595 1.00 0.42 C ATOM 1037 O ALA A 74 14.366 -8.048 -2.278 1.00 0.46 O ATOM 1038 CB ALA A 74 12.207 -6.315 -1.077 1.00 0.55 C ATOM 0 H ALA A 74 11.394 -8.098 -2.749 1.00 0.44 H new ATOM 0 HA ALA A 74 12.606 -5.398 -2.987 1.00 0.44 H new ATOM 0 HB1 ALA A 74 12.864 -5.640 -0.529 1.00 0.55 H new ATOM 0 HB2 ALA A 74 11.183 -5.944 -1.029 1.00 0.55 H new ATOM 0 HB3 ALA A 74 12.254 -7.309 -0.631 1.00 0.55 H new ATOM 1044 N THR A 75 15.015 -6.076 -2.997 1.00 0.44 N ATOM 1045 CA THR A 75 16.434 -6.512 -3.075 1.00 0.50 C ATOM 1046 C THR A 75 17.329 -5.435 -2.451 1.00 0.53 C ATOM 1047 O THR A 75 17.427 -4.339 -2.966 1.00 0.58 O ATOM 1048 CB THR A 75 16.811 -6.690 -4.545 1.00 0.59 C ATOM 1049 OG1 THR A 75 16.037 -5.802 -5.338 1.00 0.61 O ATOM 1050 CG2 THR A 75 16.537 -8.132 -4.977 1.00 0.61 C ATOM 0 H THR A 75 14.844 -5.110 -3.276 1.00 0.44 H new ATOM 0 HA THR A 75 16.567 -7.451 -2.538 1.00 0.50 H new ATOM 0 HB THR A 75 17.871 -6.471 -4.677 1.00 0.59 H new ATOM 0 HG1 THR A 75 16.277 -5.912 -6.282 1.00 0.61 H new ATOM 0 HG21 THR A 75 16.807 -8.255 -6.026 1.00 0.61 H new ATOM 0 HG22 THR A 75 17.130 -8.813 -4.367 1.00 0.61 H new ATOM 0 HG23 THR A 75 15.478 -8.356 -4.846 1.00 0.61 H new ATOM 1058 N PRO A 76 17.983 -5.734 -1.355 1.00 0.54 N ATOM 1059 CA PRO A 76 17.904 -7.062 -0.673 1.00 0.55 C ATOM 1060 C PRO A 76 16.511 -7.345 -0.107 1.00 0.52 C ATOM 1061 O PRO A 76 15.507 -7.009 -0.699 1.00 0.80 O ATOM 1062 CB PRO A 76 18.921 -6.959 0.473 1.00 0.63 C ATOM 1063 CG PRO A 76 19.761 -5.761 0.175 1.00 0.67 C ATOM 1064 CD PRO A 76 18.887 -4.819 -0.647 1.00 0.59 C ATOM 0 HA PRO A 76 18.110 -7.875 -1.369 1.00 0.55 H new ATOM 0 HB2 PRO A 76 18.416 -6.852 1.433 1.00 0.63 H new ATOM 0 HB3 PRO A 76 19.533 -7.859 0.533 1.00 0.63 H new ATOM 0 HG2 PRO A 76 20.093 -5.280 1.095 1.00 0.67 H new ATOM 0 HG3 PRO A 76 20.657 -6.042 -0.378 1.00 0.67 H new ATOM 0 HD2 PRO A 76 18.339 -4.122 -0.013 1.00 0.59 H new ATOM 0 HD3 PRO A 76 19.479 -4.222 -1.340 1.00 0.59 H new ATOM 1072 N ASP A 77 16.447 -7.957 1.041 1.00 0.58 N ATOM 1073 CA ASP A 77 15.123 -8.262 1.652 1.00 0.57 C ATOM 1074 C ASP A 77 14.789 -7.207 2.708 1.00 0.55 C ATOM 1075 O ASP A 77 15.657 -6.518 3.206 1.00 0.58 O ATOM 1076 CB ASP A 77 15.171 -9.643 2.310 1.00 0.66 C ATOM 1077 CG ASP A 77 16.085 -10.563 1.498 1.00 0.73 C ATOM 1078 OD1 ASP A 77 15.695 -10.935 0.403 1.00 1.40 O ATOM 1079 OD2 ASP A 77 17.157 -10.879 1.985 1.00 1.22 O ATOM 0 H ASP A 77 17.255 -8.260 1.584 1.00 0.58 H new ATOM 0 HA ASP A 77 14.357 -8.253 0.877 1.00 0.57 H new ATOM 0 HB2 ASP A 77 15.539 -9.558 3.333 1.00 0.66 H new ATOM 0 HB3 ASP A 77 14.168 -10.066 2.366 1.00 0.66 H new ATOM 1084 N MET A 78 13.537 -7.078 3.055 1.00 0.55 N ATOM 1085 CA MET A 78 13.140 -6.070 4.079 1.00 0.57 C ATOM 1086 C MET A 78 11.663 -5.716 3.893 1.00 0.57 C ATOM 1087 O MET A 78 11.110 -5.863 2.821 1.00 0.56 O ATOM 1088 CB MET A 78 13.993 -4.809 3.917 1.00 0.59 C ATOM 1089 CG MET A 78 15.171 -4.847 4.896 1.00 1.51 C ATOM 1090 SD MET A 78 16.682 -4.341 4.037 1.00 1.93 S ATOM 1091 CE MET A 78 17.050 -2.891 5.055 1.00 1.74 C ATOM 0 H MET A 78 12.769 -7.630 2.672 1.00 0.55 H new ATOM 0 HA MET A 78 13.295 -6.483 5.076 1.00 0.57 H new ATOM 0 HB2 MET A 78 14.361 -4.738 2.894 1.00 0.59 H new ATOM 0 HB3 MET A 78 13.386 -3.923 4.100 1.00 0.59 H new ATOM 0 HG2 MET A 78 14.979 -4.183 5.739 1.00 1.51 H new ATOM 0 HG3 MET A 78 15.289 -5.852 5.302 1.00 1.51 H new ATOM 0 HE1 MET A 78 17.932 -2.385 4.662 1.00 1.74 H new ATOM 0 HE2 MET A 78 16.201 -2.208 5.036 1.00 1.74 H new ATOM 0 HE3 MET A 78 17.240 -3.206 6.081 1.00 1.74 H new ATOM 1101 N PRO A 79 11.032 -5.256 4.938 1.00 0.63 N ATOM 1102 CA PRO A 79 9.592 -4.873 4.910 1.00 0.65 C ATOM 1103 C PRO A 79 9.350 -3.570 4.142 1.00 0.64 C ATOM 1104 O PRO A 79 10.160 -2.663 4.168 1.00 0.79 O ATOM 1105 CB PRO A 79 9.231 -4.696 6.385 1.00 0.71 C ATOM 1106 CG PRO A 79 10.517 -4.381 7.076 1.00 0.73 C ATOM 1107 CD PRO A 79 11.629 -5.051 6.267 1.00 0.71 C ATOM 0 HA PRO A 79 8.987 -5.623 4.400 1.00 0.65 H new ATOM 0 HB2 PRO A 79 8.507 -3.892 6.518 1.00 0.71 H new ATOM 0 HB3 PRO A 79 8.780 -5.602 6.790 1.00 0.71 H new ATOM 0 HG2 PRO A 79 10.673 -3.304 7.129 1.00 0.73 H new ATOM 0 HG3 PRO A 79 10.507 -4.753 8.101 1.00 0.73 H new ATOM 0 HD2 PRO A 79 12.517 -4.421 6.212 1.00 0.71 H new ATOM 0 HD3 PRO A 79 11.935 -5.996 6.716 1.00 0.71 H new ATOM 1115 N VAL A 80 8.242 -3.469 3.460 1.00 0.59 N ATOM 1116 CA VAL A 80 7.948 -2.226 2.693 1.00 0.60 C ATOM 1117 C VAL A 80 6.684 -1.573 3.257 1.00 0.57 C ATOM 1118 O VAL A 80 6.007 -2.131 4.098 1.00 0.59 O ATOM 1119 CB VAL A 80 7.738 -2.575 1.216 1.00 0.60 C ATOM 1120 CG1 VAL A 80 8.405 -3.917 0.910 1.00 0.76 C ATOM 1121 CG2 VAL A 80 6.241 -2.673 0.914 1.00 0.64 C ATOM 0 H VAL A 80 7.527 -4.194 3.401 1.00 0.59 H new ATOM 0 HA VAL A 80 8.784 -1.532 2.781 1.00 0.60 H new ATOM 0 HB VAL A 80 8.181 -1.795 0.597 1.00 0.60 H new ATOM 0 HG11 VAL A 80 8.256 -4.166 -0.141 1.00 0.76 H new ATOM 0 HG12 VAL A 80 9.473 -3.849 1.119 1.00 0.76 H new ATOM 0 HG13 VAL A 80 7.962 -4.694 1.533 1.00 0.76 H new ATOM 0 HG21 VAL A 80 6.097 -2.921 -0.138 1.00 0.64 H new ATOM 0 HG22 VAL A 80 5.795 -3.450 1.535 1.00 0.64 H new ATOM 0 HG23 VAL A 80 5.763 -1.717 1.130 1.00 0.64 H new ATOM 1131 N ARG A 81 6.359 -0.395 2.800 1.00 0.56 N ATOM 1132 CA ARG A 81 5.140 0.291 3.311 1.00 0.57 C ATOM 1133 C ARG A 81 4.170 0.544 2.154 1.00 0.56 C ATOM 1134 O ARG A 81 4.556 0.999 1.095 1.00 0.89 O ATOM 1135 CB ARG A 81 5.531 1.626 3.949 1.00 0.70 C ATOM 1136 CG ARG A 81 4.291 2.288 4.556 1.00 0.94 C ATOM 1137 CD ARG A 81 4.720 3.428 5.482 1.00 1.44 C ATOM 1138 NE ARG A 81 3.739 3.559 6.597 1.00 1.88 N ATOM 1139 CZ ARG A 81 4.049 4.251 7.660 1.00 2.38 C ATOM 1140 NH1 ARG A 81 5.217 4.827 7.747 1.00 2.80 N ATOM 1141 NH2 ARG A 81 3.188 4.369 8.635 1.00 3.05 N ATOM 0 H ARG A 81 6.885 0.122 2.095 1.00 0.56 H new ATOM 0 HA ARG A 81 4.658 -0.340 4.057 1.00 0.57 H new ATOM 0 HB2 ARG A 81 6.284 1.465 4.720 1.00 0.70 H new ATOM 0 HB3 ARG A 81 5.976 2.282 3.201 1.00 0.70 H new ATOM 0 HG2 ARG A 81 3.647 2.671 3.765 1.00 0.94 H new ATOM 0 HG3 ARG A 81 3.709 1.553 5.113 1.00 0.94 H new ATOM 0 HD2 ARG A 81 5.715 3.232 5.880 1.00 1.44 H new ATOM 0 HD3 ARG A 81 4.779 4.362 4.923 1.00 1.44 H new ATOM 0 HE ARG A 81 2.826 3.108 6.530 1.00 1.88 H new ATOM 0 HH11 ARG A 81 5.888 4.737 6.984 1.00 2.80 H new ATOM 0 HH12 ARG A 81 5.459 5.367 8.578 1.00 2.80 H new ATOM 0 HH21 ARG A 81 2.274 3.921 8.566 1.00 3.05 H new ATOM 0 HH22 ARG A 81 3.429 4.909 9.466 1.00 3.05 H new ATOM 1155 N VAL A 82 2.913 0.257 2.350 1.00 0.50 N ATOM 1156 CA VAL A 82 1.919 0.484 1.267 1.00 0.48 C ATOM 1157 C VAL A 82 0.649 1.089 1.867 1.00 0.48 C ATOM 1158 O VAL A 82 0.314 0.841 3.008 1.00 0.53 O ATOM 1159 CB VAL A 82 1.580 -0.847 0.593 1.00 0.50 C ATOM 1160 CG1 VAL A 82 1.485 -1.947 1.652 1.00 1.55 C ATOM 1161 CG2 VAL A 82 0.240 -0.721 -0.134 1.00 1.43 C ATOM 0 H VAL A 82 2.532 -0.126 3.215 1.00 0.50 H new ATOM 0 HA VAL A 82 2.337 1.167 0.527 1.00 0.48 H new ATOM 0 HB VAL A 82 2.361 -1.101 -0.124 1.00 0.50 H new ATOM 0 HG11 VAL A 82 1.243 -2.895 1.171 1.00 1.55 H new ATOM 0 HG12 VAL A 82 2.439 -2.036 2.171 1.00 1.55 H new ATOM 0 HG13 VAL A 82 0.704 -1.695 2.370 1.00 1.55 H new ATOM 0 HG21 VAL A 82 -0.003 -1.668 -0.615 1.00 1.43 H new ATOM 0 HG22 VAL A 82 -0.541 -0.467 0.583 1.00 1.43 H new ATOM 0 HG23 VAL A 82 0.308 0.062 -0.889 1.00 1.43 H new ATOM 1171 N LEU A 83 -0.060 1.880 1.111 1.00 0.48 N ATOM 1172 CA LEU A 83 -1.307 2.495 1.650 1.00 0.51 C ATOM 1173 C LEU A 83 -2.343 2.630 0.534 1.00 0.49 C ATOM 1174 O LEU A 83 -2.009 2.747 -0.629 1.00 0.51 O ATOM 1175 CB LEU A 83 -0.989 3.877 2.225 1.00 0.57 C ATOM 1176 CG LEU A 83 -0.456 4.785 1.115 1.00 0.53 C ATOM 1177 CD1 LEU A 83 -1.343 6.027 1.004 1.00 0.78 C ATOM 1178 CD2 LEU A 83 0.975 5.211 1.450 1.00 0.86 C ATOM 0 H LEU A 83 0.168 2.127 0.148 1.00 0.48 H new ATOM 0 HA LEU A 83 -1.710 1.858 2.437 1.00 0.51 H new ATOM 0 HB2 LEU A 83 -1.885 4.313 2.666 1.00 0.57 H new ATOM 0 HB3 LEU A 83 -0.251 3.789 3.022 1.00 0.57 H new ATOM 0 HG LEU A 83 -0.464 4.246 0.168 1.00 0.53 H new ATOM 0 HD11 LEU A 83 -0.964 6.675 0.213 1.00 0.78 H new ATOM 0 HD12 LEU A 83 -2.364 5.725 0.768 1.00 0.78 H new ATOM 0 HD13 LEU A 83 -1.334 6.567 1.951 1.00 0.78 H new ATOM 0 HD21 LEU A 83 1.356 5.858 0.660 1.00 0.86 H new ATOM 0 HD22 LEU A 83 0.982 5.751 2.397 1.00 0.86 H new ATOM 0 HD23 LEU A 83 1.608 4.327 1.532 1.00 0.86 H new ATOM 1190 N VAL A 84 -3.603 2.611 0.878 1.00 0.47 N ATOM 1191 CA VAL A 84 -4.662 2.736 -0.165 1.00 0.48 C ATOM 1192 C VAL A 84 -5.938 3.301 0.463 1.00 0.50 C ATOM 1193 O VAL A 84 -6.175 3.159 1.646 1.00 0.57 O ATOM 1194 CB VAL A 84 -4.965 1.360 -0.759 1.00 0.52 C ATOM 1195 CG1 VAL A 84 -5.299 1.510 -2.244 1.00 0.56 C ATOM 1196 CG2 VAL A 84 -3.741 0.453 -0.606 1.00 0.55 C ATOM 0 H VAL A 84 -3.944 2.515 1.834 1.00 0.47 H new ATOM 0 HA VAL A 84 -4.311 3.405 -0.951 1.00 0.48 H new ATOM 0 HB VAL A 84 -5.812 0.919 -0.234 1.00 0.52 H new ATOM 0 HG11 VAL A 84 -5.515 0.530 -2.669 1.00 0.56 H new ATOM 0 HG12 VAL A 84 -6.170 2.155 -2.358 1.00 0.56 H new ATOM 0 HG13 VAL A 84 -4.450 1.952 -2.765 1.00 0.56 H new ATOM 0 HG21 VAL A 84 -3.959 -0.527 -1.030 1.00 0.55 H new ATOM 0 HG22 VAL A 84 -2.893 0.894 -1.130 1.00 0.55 H new ATOM 0 HG23 VAL A 84 -3.498 0.345 0.451 1.00 0.55 H new ATOM 1206 N GLY A 85 -6.764 3.935 -0.324 1.00 0.52 N ATOM 1207 CA GLY A 85 -8.029 4.504 0.223 1.00 0.57 C ATOM 1208 C GLY A 85 -8.403 5.768 -0.554 1.00 0.51 C ATOM 1209 O GLY A 85 -8.118 5.894 -1.727 1.00 0.58 O ATOM 0 H GLY A 85 -6.618 4.084 -1.322 1.00 0.52 H new ATOM 0 HA2 GLY A 85 -8.831 3.770 0.150 1.00 0.57 H new ATOM 0 HA3 GLY A 85 -7.907 4.738 1.280 1.00 0.57 H new ATOM 1213 N GLU A 86 -9.044 6.704 0.092 1.00 0.59 N ATOM 1214 CA GLU A 86 -9.440 7.958 -0.610 1.00 0.68 C ATOM 1215 C GLU A 86 -8.324 8.996 -0.481 1.00 0.83 C ATOM 1216 O GLU A 86 -7.311 8.759 0.147 1.00 1.03 O ATOM 1217 CB GLU A 86 -10.726 8.507 0.012 1.00 0.83 C ATOM 1218 CG GLU A 86 -10.456 8.954 1.451 1.00 1.10 C ATOM 1219 CD GLU A 86 -10.127 7.734 2.314 1.00 1.96 C ATOM 1220 OE1 GLU A 86 -10.806 6.730 2.170 1.00 2.74 O ATOM 1221 OE2 GLU A 86 -9.204 7.824 3.106 1.00 2.51 O ATOM 0 H GLU A 86 -9.310 6.654 1.075 1.00 0.59 H new ATOM 0 HA GLU A 86 -9.610 7.743 -1.665 1.00 0.68 H new ATOM 0 HB2 GLU A 86 -11.096 9.347 -0.576 1.00 0.83 H new ATOM 0 HB3 GLU A 86 -11.503 7.742 -0.001 1.00 0.83 H new ATOM 0 HG2 GLU A 86 -9.627 9.662 1.473 1.00 1.10 H new ATOM 0 HG3 GLU A 86 -11.328 9.471 1.852 1.00 1.10 H new ATOM 1228 N GLY A 87 -8.501 10.146 -1.072 1.00 1.11 N ATOM 1229 CA GLY A 87 -7.452 11.201 -0.985 1.00 1.36 C ATOM 1230 C GLY A 87 -8.113 12.581 -0.981 1.00 1.34 C ATOM 1231 O GLY A 87 -7.905 13.383 -1.869 1.00 1.63 O ATOM 0 H GLY A 87 -9.328 10.401 -1.612 1.00 1.11 H new ATOM 0 HA2 GLY A 87 -6.861 11.067 -0.079 1.00 1.36 H new ATOM 0 HA3 GLY A 87 -6.766 11.117 -1.828 1.00 1.36 H new ATOM 1235 N GLY A 88 -8.908 12.865 0.015 1.00 1.25 N ATOM 1236 CA GLY A 88 -9.583 14.192 0.078 1.00 1.33 C ATOM 1237 C GLY A 88 -10.729 14.134 1.092 1.00 1.59 C ATOM 1238 O GLY A 88 -11.694 13.420 0.910 1.00 2.20 O ATOM 0 H GLY A 88 -9.119 12.234 0.788 1.00 1.25 H new ATOM 0 HA2 GLY A 88 -8.868 14.963 0.365 1.00 1.33 H new ATOM 0 HA3 GLY A 88 -9.967 14.464 -0.905 1.00 1.33 H new ATOM 1242 N GLY A 89 -10.629 14.878 2.159 1.00 1.85 N ATOM 1243 CA GLY A 89 -11.713 14.862 3.183 1.00 2.28 C ATOM 1244 C GLY A 89 -11.446 13.740 4.188 1.00 2.10 C ATOM 1245 O GLY A 89 -11.412 12.578 3.837 1.00 2.47 O ATOM 0 H GLY A 89 -9.845 15.496 2.367 1.00 1.85 H new ATOM 0 HA2 GLY A 89 -11.757 15.822 3.697 1.00 2.28 H new ATOM 0 HA3 GLY A 89 -12.680 14.712 2.703 1.00 2.28 H new ATOM 1249 N ALA A 90 -11.251 14.076 5.435 1.00 2.21 N ATOM 1250 CA ALA A 90 -10.983 13.023 6.455 1.00 2.29 C ATOM 1251 C ALA A 90 -9.685 12.297 6.096 1.00 2.06 C ATOM 1252 O ALA A 90 -8.887 11.970 6.953 1.00 2.46 O ATOM 1253 CB ALA A 90 -12.139 12.022 6.472 1.00 2.73 C ATOM 0 H ALA A 90 -11.266 15.032 5.790 1.00 2.21 H new ATOM 0 HA ALA A 90 -10.888 13.481 7.439 1.00 2.29 H new ATOM 0 HB1 ALA A 90 -11.943 11.252 7.218 1.00 2.73 H new ATOM 0 HB2 ALA A 90 -13.065 12.540 6.720 1.00 2.73 H new ATOM 0 HB3 ALA A 90 -12.234 11.559 5.490 1.00 2.73 H new ATOM 1259 N TYR A 91 -9.468 12.048 4.833 1.00 2.00 N ATOM 1260 CA TYR A 91 -8.224 11.349 4.405 1.00 2.35 C ATOM 1261 C TYR A 91 -8.161 9.963 5.047 1.00 1.79 C ATOM 1262 O TYR A 91 -7.811 8.990 4.407 1.00 1.96 O ATOM 1263 CB TYR A 91 -7.004 12.170 4.826 1.00 3.28 C ATOM 1264 CG TYR A 91 -7.054 13.519 4.149 1.00 3.84 C ATOM 1265 CD1 TYR A 91 -6.817 13.619 2.772 1.00 4.11 C ATOM 1266 CD2 TYR A 91 -7.338 14.668 4.896 1.00 4.47 C ATOM 1267 CE1 TYR A 91 -6.865 14.869 2.144 1.00 4.70 C ATOM 1268 CE2 TYR A 91 -7.385 15.918 4.267 1.00 5.08 C ATOM 1269 CZ TYR A 91 -7.149 16.018 2.891 1.00 5.07 C ATOM 1270 OH TYR A 91 -7.198 17.250 2.271 1.00 5.74 O ATOM 0 H TYR A 91 -10.103 12.300 4.076 1.00 2.00 H new ATOM 0 HA TYR A 91 -8.228 11.239 3.321 1.00 2.35 H new ATOM 0 HB2 TYR A 91 -6.990 12.294 5.909 1.00 3.28 H new ATOM 0 HB3 TYR A 91 -6.087 11.647 4.553 1.00 3.28 H new ATOM 0 HD1 TYR A 91 -6.597 12.733 2.196 1.00 4.11 H new ATOM 0 HD2 TYR A 91 -7.521 14.590 5.958 1.00 4.47 H new ATOM 0 HE1 TYR A 91 -6.683 14.947 1.082 1.00 4.70 H new ATOM 0 HE2 TYR A 91 -7.603 16.805 4.843 1.00 5.08 H new ATOM 0 HH TYR A 91 -7.408 17.941 2.933 1.00 5.74 H new ATOM 1280 N ARG A 92 -8.497 9.859 6.304 1.00 1.37 N ATOM 1281 CA ARG A 92 -8.456 8.530 6.977 1.00 1.08 C ATOM 1282 C ARG A 92 -8.824 7.438 5.971 1.00 0.94 C ATOM 1283 O ARG A 92 -9.794 7.547 5.247 1.00 1.05 O ATOM 1284 CB ARG A 92 -9.447 8.501 8.145 1.00 1.14 C ATOM 1285 CG ARG A 92 -10.549 9.550 7.931 1.00 1.39 C ATOM 1286 CD ARG A 92 -11.935 8.916 8.094 1.00 1.76 C ATOM 1287 NE ARG A 92 -12.621 9.497 9.286 1.00 2.25 N ATOM 1288 CZ ARG A 92 -11.977 9.673 10.408 1.00 2.65 C ATOM 1289 NH1 ARG A 92 -10.745 9.261 10.526 1.00 2.87 N ATOM 1290 NH2 ARG A 92 -12.574 10.237 11.422 1.00 3.42 N ATOM 0 H ARG A 92 -8.798 10.636 6.893 1.00 1.37 H new ATOM 0 HA ARG A 92 -7.450 8.355 7.358 1.00 1.08 H new ATOM 0 HB2 ARG A 92 -9.891 7.509 8.231 1.00 1.14 H new ATOM 0 HB3 ARG A 92 -8.924 8.698 9.081 1.00 1.14 H new ATOM 0 HG2 ARG A 92 -10.429 10.363 8.647 1.00 1.39 H new ATOM 0 HG3 ARG A 92 -10.457 9.985 6.936 1.00 1.39 H new ATOM 0 HD2 ARG A 92 -12.532 9.090 7.199 1.00 1.76 H new ATOM 0 HD3 ARG A 92 -11.840 7.836 8.208 1.00 1.76 H new ATOM 0 HE ARG A 92 -13.605 9.760 9.223 1.00 2.25 H new ATOM 0 HH11 ARG A 92 -10.284 8.801 9.741 1.00 2.87 H new ATOM 0 HH12 ARG A 92 -10.243 9.399 11.403 1.00 2.87 H new ATOM 0 HH21 ARG A 92 -13.544 10.541 11.338 1.00 3.42 H new ATOM 0 HH22 ARG A 92 -12.070 10.374 12.298 1.00 3.42 H new ATOM 1304 N THR A 93 -8.054 6.386 5.914 1.00 0.91 N ATOM 1305 CA THR A 93 -8.360 5.292 4.951 1.00 0.84 C ATOM 1306 C THR A 93 -8.453 3.960 5.693 1.00 0.85 C ATOM 1307 O THR A 93 -8.432 3.905 6.907 1.00 0.97 O ATOM 1308 CB THR A 93 -7.245 5.199 3.909 1.00 0.85 C ATOM 1309 OG1 THR A 93 -7.122 3.851 3.477 1.00 0.95 O ATOM 1310 CG2 THR A 93 -5.923 5.659 4.528 1.00 0.96 C ATOM 0 H THR A 93 -7.227 6.237 6.492 1.00 0.91 H new ATOM 0 HA THR A 93 -9.310 5.507 4.461 1.00 0.84 H new ATOM 0 HB THR A 93 -7.485 5.838 3.059 1.00 0.85 H new ATOM 0 HG1 THR A 93 -6.507 3.806 2.715 1.00 0.95 H new ATOM 0 HG21 THR A 93 -5.130 5.592 3.783 1.00 0.96 H new ATOM 0 HG22 THR A 93 -6.018 6.691 4.864 1.00 0.96 H new ATOM 0 HG23 THR A 93 -5.678 5.022 5.378 1.00 0.96 H new ATOM 1318 N ALA A 94 -8.544 2.883 4.964 1.00 0.79 N ATOM 1319 CA ALA A 94 -8.627 1.546 5.611 1.00 0.85 C ATOM 1320 C ALA A 94 -7.421 0.713 5.182 1.00 0.77 C ATOM 1321 O ALA A 94 -7.015 -0.208 5.864 1.00 0.82 O ATOM 1322 CB ALA A 94 -9.915 0.844 5.175 1.00 0.95 C ATOM 0 H ALA A 94 -8.564 2.872 3.944 1.00 0.79 H new ATOM 0 HA ALA A 94 -8.631 1.660 6.695 1.00 0.85 H new ATOM 0 HB1 ALA A 94 -9.974 -0.135 5.650 1.00 0.95 H new ATOM 0 HB2 ALA A 94 -10.775 1.444 5.472 1.00 0.95 H new ATOM 0 HB3 ALA A 94 -9.914 0.723 4.092 1.00 0.95 H new ATOM 1328 N PHE A 95 -6.840 1.027 4.055 1.00 0.66 N ATOM 1329 CA PHE A 95 -5.659 0.250 3.589 1.00 0.62 C ATOM 1330 C PHE A 95 -4.390 0.912 4.132 1.00 0.58 C ATOM 1331 O PHE A 95 -3.403 1.047 3.438 1.00 0.56 O ATOM 1332 CB PHE A 95 -5.632 0.263 2.062 1.00 0.58 C ATOM 1333 CG PHE A 95 -5.032 -1.023 1.536 1.00 0.66 C ATOM 1334 CD1 PHE A 95 -3.765 -1.441 1.961 1.00 1.54 C ATOM 1335 CD2 PHE A 95 -5.750 -1.793 0.614 1.00 1.26 C ATOM 1336 CE1 PHE A 95 -3.218 -2.630 1.464 1.00 1.63 C ATOM 1337 CE2 PHE A 95 -5.203 -2.982 0.117 1.00 1.30 C ATOM 1338 CZ PHE A 95 -3.937 -3.400 0.542 1.00 0.91 C ATOM 0 H PHE A 95 -7.132 1.786 3.440 1.00 0.66 H new ATOM 0 HA PHE A 95 -5.716 -0.779 3.944 1.00 0.62 H new ATOM 0 HB2 PHE A 95 -6.644 0.385 1.675 1.00 0.58 H new ATOM 0 HB3 PHE A 95 -5.050 1.115 1.709 1.00 0.58 H new ATOM 0 HD1 PHE A 95 -3.210 -0.847 2.672 1.00 1.54 H new ATOM 0 HD2 PHE A 95 -6.727 -1.470 0.286 1.00 1.26 H new ATOM 0 HE1 PHE A 95 -2.241 -2.953 1.792 1.00 1.63 H new ATOM 0 HE2 PHE A 95 -5.758 -3.576 -0.594 1.00 1.30 H new ATOM 0 HZ PHE A 95 -3.514 -4.317 0.159 1.00 0.91 H new ATOM 1348 N GLU A 96 -4.413 1.342 5.363 1.00 0.62 N ATOM 1349 CA GLU A 96 -3.210 2.005 5.938 1.00 0.63 C ATOM 1350 C GLU A 96 -2.309 0.962 6.604 1.00 0.67 C ATOM 1351 O GLU A 96 -2.106 0.981 7.802 1.00 0.90 O ATOM 1352 CB GLU A 96 -3.646 3.038 6.979 1.00 0.75 C ATOM 1353 CG GLU A 96 -2.429 3.848 7.432 1.00 1.66 C ATOM 1354 CD GLU A 96 -2.866 4.897 8.458 1.00 2.14 C ATOM 1355 OE1 GLU A 96 -4.055 5.157 8.541 1.00 2.78 O ATOM 1356 OE2 GLU A 96 -2.003 5.422 9.142 1.00 2.52 O ATOM 0 H GLU A 96 -5.211 1.263 5.994 1.00 0.62 H new ATOM 0 HA GLU A 96 -2.658 2.500 5.139 1.00 0.63 H new ATOM 0 HB2 GLU A 96 -4.401 3.701 6.556 1.00 0.75 H new ATOM 0 HB3 GLU A 96 -4.103 2.539 7.833 1.00 0.75 H new ATOM 0 HG2 GLU A 96 -1.681 3.187 7.869 1.00 1.66 H new ATOM 0 HG3 GLU A 96 -1.963 4.334 6.575 1.00 1.66 H new ATOM 1363 N GLN A 97 -1.762 0.055 5.841 1.00 0.64 N ATOM 1364 CA GLN A 97 -0.872 -0.979 6.440 1.00 0.70 C ATOM 1365 C GLN A 97 0.574 -0.703 6.019 1.00 0.77 C ATOM 1366 O GLN A 97 0.827 -0.107 4.992 1.00 1.23 O ATOM 1367 CB GLN A 97 -1.303 -2.368 5.961 1.00 0.81 C ATOM 1368 CG GLN A 97 -0.429 -2.815 4.787 1.00 1.05 C ATOM 1369 CD GLN A 97 -0.944 -4.151 4.249 1.00 1.54 C ATOM 1370 OE1 GLN A 97 -1.965 -4.202 3.592 1.00 2.28 O ATOM 1371 NE2 GLN A 97 -0.279 -5.245 4.504 1.00 1.84 N ATOM 0 H GLN A 97 -1.893 -0.014 4.832 1.00 0.64 H new ATOM 0 HA GLN A 97 -0.944 -0.943 7.527 1.00 0.70 H new ATOM 0 HB2 GLN A 97 -1.221 -3.084 6.778 1.00 0.81 H new ATOM 0 HB3 GLN A 97 -2.350 -2.348 5.658 1.00 0.81 H new ATOM 0 HG2 GLN A 97 -0.447 -2.062 3.999 1.00 1.05 H new ATOM 0 HG3 GLN A 97 0.608 -2.915 5.109 1.00 1.05 H new ATOM 0 HE21 GLN A 97 0.578 -5.204 5.055 1.00 1.84 H new ATOM 0 HE22 GLN A 97 -0.617 -6.141 4.152 1.00 1.84 H new ATOM 1380 N GLY A 98 1.525 -1.129 6.805 1.00 0.63 N ATOM 1381 CA GLY A 98 2.950 -0.883 6.445 1.00 0.82 C ATOM 1382 C GLY A 98 3.769 -2.154 6.674 1.00 0.76 C ATOM 1383 O GLY A 98 4.984 -2.133 6.647 1.00 0.95 O ATOM 0 H GLY A 98 1.377 -1.635 7.678 1.00 0.63 H new ATOM 0 HA2 GLY A 98 3.023 -0.575 5.402 1.00 0.82 H new ATOM 0 HA3 GLY A 98 3.351 -0.068 7.047 1.00 0.82 H new ATOM 1387 N SER A 99 3.117 -3.262 6.898 1.00 0.67 N ATOM 1388 CA SER A 99 3.862 -4.530 7.129 1.00 0.64 C ATOM 1389 C SER A 99 3.762 -5.412 5.883 1.00 0.59 C ATOM 1390 O SER A 99 3.000 -6.359 5.841 1.00 0.70 O ATOM 1391 CB SER A 99 3.252 -5.262 8.324 1.00 0.69 C ATOM 1392 OG SER A 99 3.907 -4.846 9.515 1.00 0.88 O ATOM 0 H SER A 99 2.101 -3.343 6.931 1.00 0.67 H new ATOM 0 HA SER A 99 4.910 -4.309 7.333 1.00 0.64 H new ATOM 0 HB2 SER A 99 2.185 -5.049 8.389 1.00 0.69 H new ATOM 0 HB3 SER A 99 3.355 -6.340 8.196 1.00 0.69 H new ATOM 0 HG SER A 99 3.517 -5.313 10.283 1.00 0.88 H new ATOM 1398 N ALA A 100 4.523 -5.111 4.866 1.00 0.54 N ATOM 1399 CA ALA A 100 4.465 -5.935 3.625 1.00 0.54 C ATOM 1400 C ALA A 100 5.840 -6.545 3.347 1.00 0.52 C ATOM 1401 O ALA A 100 6.589 -6.062 2.520 1.00 0.59 O ATOM 1402 CB ALA A 100 4.053 -5.050 2.447 1.00 0.58 C ATOM 0 H ALA A 100 5.181 -4.332 4.841 1.00 0.54 H new ATOM 0 HA ALA A 100 3.735 -6.734 3.755 1.00 0.54 H new ATOM 0 HB1 ALA A 100 4.010 -5.651 1.538 1.00 0.58 H new ATOM 0 HB2 ALA A 100 3.072 -4.617 2.643 1.00 0.58 H new ATOM 0 HB3 ALA A 100 4.783 -4.251 2.319 1.00 0.58 H new ATOM 1408 N PRO A 101 6.166 -7.605 4.036 1.00 0.52 N ATOM 1409 CA PRO A 101 7.470 -8.309 3.870 1.00 0.52 C ATOM 1410 C PRO A 101 7.754 -8.674 2.410 1.00 0.52 C ATOM 1411 O PRO A 101 6.953 -9.308 1.752 1.00 0.60 O ATOM 1412 CB PRO A 101 7.320 -9.575 4.715 1.00 0.59 C ATOM 1413 CG PRO A 101 6.245 -9.273 5.707 1.00 0.74 C ATOM 1414 CD PRO A 101 5.320 -8.248 5.052 1.00 0.62 C ATOM 0 HA PRO A 101 8.305 -7.679 4.177 1.00 0.52 H new ATOM 0 HB2 PRO A 101 7.052 -10.430 4.095 1.00 0.59 H new ATOM 0 HB3 PRO A 101 8.256 -9.825 5.215 1.00 0.59 H new ATOM 0 HG2 PRO A 101 5.696 -10.177 5.971 1.00 0.74 H new ATOM 0 HG3 PRO A 101 6.670 -8.878 6.630 1.00 0.74 H new ATOM 0 HD2 PRO A 101 4.449 -8.726 4.603 1.00 0.62 H new ATOM 0 HD3 PRO A 101 4.948 -7.525 5.778 1.00 0.62 H new ATOM 1422 N LEU A 102 8.890 -8.283 1.900 1.00 0.50 N ATOM 1423 CA LEU A 102 9.225 -8.611 0.485 1.00 0.53 C ATOM 1424 C LEU A 102 10.654 -9.157 0.416 1.00 0.57 C ATOM 1425 O LEU A 102 11.552 -8.651 1.058 1.00 0.73 O ATOM 1426 CB LEU A 102 9.117 -7.350 -0.375 1.00 0.60 C ATOM 1427 CG LEU A 102 7.655 -7.115 -0.757 1.00 0.66 C ATOM 1428 CD1 LEU A 102 7.538 -5.819 -1.563 1.00 1.17 C ATOM 1429 CD2 LEU A 102 7.158 -8.288 -1.605 1.00 1.06 C ATOM 0 H LEU A 102 9.601 -7.751 2.402 1.00 0.50 H new ATOM 0 HA LEU A 102 8.529 -9.362 0.111 1.00 0.53 H new ATOM 0 HB2 LEU A 102 9.503 -6.490 0.172 1.00 0.60 H new ATOM 0 HB3 LEU A 102 9.726 -7.456 -1.273 1.00 0.60 H new ATOM 0 HG LEU A 102 7.051 -7.035 0.147 1.00 0.66 H new ATOM 0 HD11 LEU A 102 6.496 -5.652 -1.835 1.00 1.17 H new ATOM 0 HD12 LEU A 102 7.894 -4.983 -0.961 1.00 1.17 H new ATOM 0 HD13 LEU A 102 8.141 -5.898 -2.468 1.00 1.17 H new ATOM 0 HD21 LEU A 102 6.116 -8.123 -1.879 1.00 1.06 H new ATOM 0 HD22 LEU A 102 7.763 -8.366 -2.509 1.00 1.06 H new ATOM 0 HD23 LEU A 102 7.241 -9.212 -1.032 1.00 1.06 H new ATOM 1441 N THR A 103 10.870 -10.187 -0.357 1.00 0.58 N ATOM 1442 CA THR A 103 12.240 -10.762 -0.464 1.00 0.63 C ATOM 1443 C THR A 103 12.820 -10.445 -1.844 1.00 0.57 C ATOM 1444 O THR A 103 12.189 -9.803 -2.660 1.00 0.79 O ATOM 1445 CB THR A 103 12.173 -12.279 -0.275 1.00 0.90 C ATOM 1446 OG1 THR A 103 13.354 -12.872 -0.797 1.00 0.99 O ATOM 1447 CG2 THR A 103 10.952 -12.836 -1.008 1.00 1.08 C ATOM 0 H THR A 103 10.158 -10.654 -0.918 1.00 0.58 H new ATOM 0 HA THR A 103 12.877 -10.328 0.306 1.00 0.63 H new ATOM 0 HB THR A 103 12.089 -12.509 0.787 1.00 0.90 H new ATOM 0 HG1 THR A 103 13.314 -13.844 -0.675 1.00 0.99 H new ATOM 0 HG21 THR A 103 10.907 -13.916 -0.871 1.00 1.08 H new ATOM 0 HG22 THR A 103 10.047 -12.381 -0.605 1.00 1.08 H new ATOM 0 HG23 THR A 103 11.030 -12.608 -2.071 1.00 1.08 H new ATOM 1455 N GLY A 104 14.017 -10.890 -2.112 1.00 0.62 N ATOM 1456 CA GLY A 104 14.636 -10.613 -3.441 1.00 0.78 C ATOM 1457 C GLY A 104 14.171 -11.663 -4.450 1.00 0.94 C ATOM 1458 O GLY A 104 14.937 -12.140 -5.262 1.00 1.35 O ATOM 0 H GLY A 104 14.593 -11.433 -1.469 1.00 0.62 H new ATOM 0 HA2 GLY A 104 14.357 -9.616 -3.783 1.00 0.78 H new ATOM 0 HA3 GLY A 104 15.723 -10.629 -3.358 1.00 0.78 H new ATOM 1462 N GLU A 105 12.918 -12.028 -4.403 1.00 0.94 N ATOM 1463 CA GLU A 105 12.402 -13.047 -5.359 1.00 1.25 C ATOM 1464 C GLU A 105 11.042 -12.596 -5.898 1.00 0.96 C ATOM 1465 O GLU A 105 10.108 -12.401 -5.146 1.00 1.03 O ATOM 1466 CB GLU A 105 12.239 -14.385 -4.633 1.00 1.71 C ATOM 1467 CG GLU A 105 12.981 -15.480 -5.402 1.00 2.39 C ATOM 1468 CD GLU A 105 12.935 -16.784 -4.604 1.00 2.80 C ATOM 1469 OE1 GLU A 105 12.051 -16.916 -3.773 1.00 3.49 O ATOM 1470 OE2 GLU A 105 13.783 -17.629 -4.837 1.00 2.97 O ATOM 0 H GLU A 105 12.230 -11.664 -3.744 1.00 0.94 H new ATOM 0 HA GLU A 105 13.104 -13.160 -6.186 1.00 1.25 H new ATOM 0 HB2 GLU A 105 12.631 -14.310 -3.619 1.00 1.71 H new ATOM 0 HB3 GLU A 105 11.182 -14.638 -4.549 1.00 1.71 H new ATOM 0 HG2 GLU A 105 12.525 -15.624 -6.381 1.00 2.39 H new ATOM 0 HG3 GLU A 105 14.015 -15.182 -5.573 1.00 2.39 H new ATOM 1477 N PRO A 106 10.928 -12.433 -7.189 1.00 0.78 N ATOM 1478 CA PRO A 106 9.655 -12.002 -7.829 1.00 0.58 C ATOM 1479 C PRO A 106 8.449 -12.751 -7.257 1.00 0.66 C ATOM 1480 O PRO A 106 8.357 -13.959 -7.351 1.00 0.75 O ATOM 1481 CB PRO A 106 9.855 -12.351 -9.303 1.00 0.65 C ATOM 1482 CG PRO A 106 11.332 -12.322 -9.524 1.00 0.98 C ATOM 1483 CD PRO A 106 11.995 -12.644 -8.181 1.00 0.97 C ATOM 0 HA PRO A 106 9.447 -10.945 -7.660 1.00 0.58 H new ATOM 0 HB2 PRO A 106 9.443 -13.334 -9.533 1.00 0.65 H new ATOM 0 HB3 PRO A 106 9.348 -11.634 -9.948 1.00 0.65 H new ATOM 0 HG2 PRO A 106 11.622 -13.050 -10.281 1.00 0.98 H new ATOM 0 HG3 PRO A 106 11.648 -11.343 -9.885 1.00 0.98 H new ATOM 0 HD2 PRO A 106 12.365 -13.669 -8.156 1.00 0.97 H new ATOM 0 HD3 PRO A 106 12.848 -11.993 -7.992 1.00 0.97 H new ATOM 1491 N ALA A 107 7.527 -12.048 -6.660 1.00 0.79 N ATOM 1492 CA ALA A 107 6.337 -12.731 -6.080 1.00 1.11 C ATOM 1493 C ALA A 107 5.206 -11.721 -5.873 1.00 0.95 C ATOM 1494 O ALA A 107 5.430 -10.588 -5.494 1.00 0.86 O ATOM 1495 CB ALA A 107 6.716 -13.351 -4.734 1.00 1.48 C ATOM 0 H ALA A 107 7.546 -11.034 -6.549 1.00 0.79 H new ATOM 0 HA ALA A 107 6.001 -13.510 -6.764 1.00 1.11 H new ATOM 0 HB1 ALA A 107 5.847 -13.852 -4.307 1.00 1.48 H new ATOM 0 HB2 ALA A 107 7.517 -14.076 -4.880 1.00 1.48 H new ATOM 0 HB3 ALA A 107 7.054 -12.568 -4.055 1.00 1.48 H new ATOM 1501 N THR A 108 3.990 -12.130 -6.118 1.00 0.94 N ATOM 1502 CA THR A 108 2.838 -11.205 -5.934 1.00 0.81 C ATOM 1503 C THR A 108 2.294 -11.336 -4.512 1.00 0.76 C ATOM 1504 O THR A 108 2.163 -12.424 -3.988 1.00 0.91 O ATOM 1505 CB THR A 108 1.730 -11.570 -6.925 1.00 0.85 C ATOM 1506 OG1 THR A 108 1.791 -12.961 -7.209 1.00 0.97 O ATOM 1507 CG2 THR A 108 1.923 -10.776 -8.215 1.00 0.87 C ATOM 0 H THR A 108 3.746 -13.067 -6.438 1.00 0.94 H new ATOM 0 HA THR A 108 3.169 -10.181 -6.107 1.00 0.81 H new ATOM 0 HB THR A 108 0.758 -11.330 -6.493 1.00 0.85 H new ATOM 0 HG1 THR A 108 1.081 -13.197 -7.842 1.00 0.97 H new ATOM 0 HG21 THR A 108 1.135 -11.034 -8.923 1.00 0.87 H new ATOM 0 HG22 THR A 108 1.879 -9.709 -7.996 1.00 0.87 H new ATOM 0 HG23 THR A 108 2.893 -11.017 -8.649 1.00 0.87 H new ATOM 1515 N ARG A 109 1.954 -10.243 -3.887 1.00 0.58 N ATOM 1516 CA ARG A 109 1.396 -10.331 -2.511 1.00 0.58 C ATOM 1517 C ARG A 109 -0.089 -9.987 -2.563 1.00 0.50 C ATOM 1518 O ARG A 109 -0.495 -9.050 -3.223 1.00 0.47 O ATOM 1519 CB ARG A 109 2.098 -9.352 -1.574 1.00 0.64 C ATOM 1520 CG ARG A 109 3.613 -9.547 -1.654 1.00 0.88 C ATOM 1521 CD ARG A 109 3.949 -11.036 -1.549 1.00 1.68 C ATOM 1522 NE ARG A 109 5.410 -11.196 -1.306 1.00 2.49 N ATOM 1523 CZ ARG A 109 5.886 -12.343 -0.902 1.00 3.15 C ATOM 1524 NH1 ARG A 109 5.087 -13.360 -0.731 1.00 3.24 N ATOM 1525 NH2 ARG A 109 7.164 -12.472 -0.673 1.00 4.18 N ATOM 0 H ARG A 109 2.038 -9.300 -4.267 1.00 0.58 H new ATOM 0 HA ARG A 109 1.547 -11.342 -2.134 1.00 0.58 H new ATOM 0 HB2 ARG A 109 1.840 -8.328 -1.845 1.00 0.64 H new ATOM 0 HB3 ARG A 109 1.757 -9.507 -0.551 1.00 0.64 H new ATOM 0 HG2 ARG A 109 3.992 -9.145 -2.593 1.00 0.88 H new ATOM 0 HG3 ARG A 109 4.103 -8.997 -0.851 1.00 0.88 H new ATOM 0 HD2 ARG A 109 3.382 -11.492 -0.738 1.00 1.68 H new ATOM 0 HD3 ARG A 109 3.663 -11.551 -2.466 1.00 1.68 H new ATOM 0 HE ARG A 109 6.040 -10.408 -1.456 1.00 2.49 H new ATOM 0 HH11 ARG A 109 4.088 -13.260 -0.913 1.00 3.24 H new ATOM 0 HH12 ARG A 109 5.461 -14.255 -0.415 1.00 3.24 H new ATOM 0 HH21 ARG A 109 7.789 -11.678 -0.810 1.00 4.18 H new ATOM 0 HH22 ARG A 109 7.538 -13.367 -0.357 1.00 4.18 H new ATOM 1539 N GLU A 110 -0.894 -10.740 -1.869 1.00 0.54 N ATOM 1540 CA GLU A 110 -2.358 -10.472 -1.872 1.00 0.52 C ATOM 1541 C GLU A 110 -2.804 -10.032 -0.478 1.00 0.52 C ATOM 1542 O GLU A 110 -2.955 -10.837 0.419 1.00 0.70 O ATOM 1543 CB GLU A 110 -3.108 -11.749 -2.259 1.00 0.53 C ATOM 1544 CG GLU A 110 -2.506 -12.335 -3.538 1.00 0.97 C ATOM 1545 CD GLU A 110 -2.579 -13.862 -3.482 1.00 1.62 C ATOM 1546 OE1 GLU A 110 -3.253 -14.371 -2.602 1.00 2.38 O ATOM 1547 OE2 GLU A 110 -1.960 -14.497 -4.320 1.00 2.13 O ATOM 0 H GLU A 110 -0.600 -11.532 -1.298 1.00 0.54 H new ATOM 0 HA GLU A 110 -2.577 -9.682 -2.591 1.00 0.52 H new ATOM 0 HB2 GLU A 110 -3.047 -12.477 -1.450 1.00 0.53 H new ATOM 0 HB3 GLU A 110 -4.165 -11.529 -2.411 1.00 0.53 H new ATOM 0 HG2 GLU A 110 -3.047 -11.966 -4.410 1.00 0.97 H new ATOM 0 HG3 GLU A 110 -1.470 -12.013 -3.646 1.00 0.97 H new ATOM 1554 N TYR A 111 -3.034 -8.762 -0.292 1.00 0.47 N ATOM 1555 CA TYR A 111 -3.490 -8.278 1.037 1.00 0.53 C ATOM 1556 C TYR A 111 -4.954 -7.856 0.921 1.00 0.54 C ATOM 1557 O TYR A 111 -5.300 -6.989 0.142 1.00 0.59 O ATOM 1558 CB TYR A 111 -2.643 -7.082 1.481 1.00 0.65 C ATOM 1559 CG TYR A 111 -1.172 -7.427 1.422 1.00 0.63 C ATOM 1560 CD1 TYR A 111 -0.717 -8.680 1.856 1.00 1.45 C ATOM 1561 CD2 TYR A 111 -0.258 -6.485 0.934 1.00 1.27 C ATOM 1562 CE1 TYR A 111 0.648 -8.986 1.802 1.00 1.51 C ATOM 1563 CE2 TYR A 111 1.106 -6.792 0.881 1.00 1.38 C ATOM 1564 CZ TYR A 111 1.559 -8.042 1.315 1.00 0.92 C ATOM 1565 OH TYR A 111 2.904 -8.345 1.262 1.00 1.15 O ATOM 0 H TYR A 111 -2.925 -8.040 -1.004 1.00 0.47 H new ATOM 0 HA TYR A 111 -3.383 -9.072 1.776 1.00 0.53 H new ATOM 0 HB2 TYR A 111 -2.848 -6.225 0.840 1.00 0.65 H new ATOM 0 HB3 TYR A 111 -2.915 -6.793 2.496 1.00 0.65 H new ATOM 0 HD1 TYR A 111 -1.419 -9.409 2.232 1.00 1.45 H new ATOM 0 HD2 TYR A 111 -0.607 -5.520 0.598 1.00 1.27 H new ATOM 0 HE1 TYR A 111 0.998 -9.951 2.136 1.00 1.51 H new ATOM 0 HE2 TYR A 111 1.809 -6.064 0.505 1.00 1.38 H new ATOM 0 HH TYR A 111 3.026 -9.312 1.368 1.00 1.15 H new ATOM 1575 N ALA A 112 -5.820 -8.473 1.677 1.00 0.62 N ATOM 1576 CA ALA A 112 -7.261 -8.119 1.596 1.00 0.70 C ATOM 1577 C ALA A 112 -7.726 -7.521 2.924 1.00 0.69 C ATOM 1578 O ALA A 112 -7.150 -7.765 3.965 1.00 0.76 O ATOM 1579 CB ALA A 112 -8.076 -9.379 1.296 1.00 0.87 C ATOM 0 H ALA A 112 -5.590 -9.207 2.347 1.00 0.62 H new ATOM 0 HA ALA A 112 -7.406 -7.387 0.802 1.00 0.70 H new ATOM 0 HB1 ALA A 112 -9.134 -9.122 1.236 1.00 0.87 H new ATOM 0 HB2 ALA A 112 -7.751 -9.805 0.347 1.00 0.87 H new ATOM 0 HB3 ALA A 112 -7.924 -10.109 2.092 1.00 0.87 H new ATOM 1585 N PHE A 113 -8.776 -6.747 2.892 1.00 0.71 N ATOM 1586 CA PHE A 113 -9.292 -6.140 4.150 1.00 0.80 C ATOM 1587 C PHE A 113 -10.816 -6.067 4.083 1.00 0.74 C ATOM 1588 O PHE A 113 -11.423 -6.452 3.103 1.00 0.68 O ATOM 1589 CB PHE A 113 -8.723 -4.731 4.325 1.00 0.88 C ATOM 1590 CG PHE A 113 -8.929 -3.935 3.058 1.00 0.89 C ATOM 1591 CD1 PHE A 113 -8.240 -4.281 1.891 1.00 1.44 C ATOM 1592 CD2 PHE A 113 -9.812 -2.848 3.054 1.00 1.63 C ATOM 1593 CE1 PHE A 113 -8.432 -3.540 0.718 1.00 1.60 C ATOM 1594 CE2 PHE A 113 -10.005 -2.108 1.882 1.00 1.83 C ATOM 1595 CZ PHE A 113 -9.314 -2.454 0.714 1.00 1.41 C ATOM 0 H PHE A 113 -9.298 -6.509 2.049 1.00 0.71 H new ATOM 0 HA PHE A 113 -8.986 -6.754 4.997 1.00 0.80 H new ATOM 0 HB2 PHE A 113 -9.212 -4.233 5.162 1.00 0.88 H new ATOM 0 HB3 PHE A 113 -7.661 -4.785 4.563 1.00 0.88 H new ATOM 0 HD1 PHE A 113 -7.560 -5.120 1.894 1.00 1.44 H new ATOM 0 HD2 PHE A 113 -10.344 -2.581 3.955 1.00 1.63 H new ATOM 0 HE1 PHE A 113 -7.899 -3.807 -0.183 1.00 1.60 H new ATOM 0 HE2 PHE A 113 -10.687 -1.270 1.878 1.00 1.83 H new ATOM 0 HZ PHE A 113 -9.462 -1.882 -0.190 1.00 1.41 H new ATOM 1605 N THR A 114 -11.437 -5.577 5.118 1.00 0.81 N ATOM 1606 CA THR A 114 -12.922 -5.480 5.119 1.00 0.84 C ATOM 1607 C THR A 114 -13.342 -4.023 4.918 1.00 0.82 C ATOM 1608 O THR A 114 -13.073 -3.170 5.742 1.00 0.93 O ATOM 1609 CB THR A 114 -13.458 -5.989 6.458 1.00 0.97 C ATOM 1610 OG1 THR A 114 -12.495 -5.746 7.473 1.00 1.01 O ATOM 1611 CG2 THR A 114 -13.733 -7.491 6.363 1.00 1.09 C ATOM 0 H THR A 114 -10.980 -5.239 5.965 1.00 0.81 H new ATOM 0 HA THR A 114 -13.329 -6.085 4.308 1.00 0.84 H new ATOM 0 HB THR A 114 -14.384 -5.468 6.701 1.00 0.97 H new ATOM 0 HG1 THR A 114 -12.837 -6.070 8.333 1.00 1.01 H new ATOM 0 HG21 THR A 114 -14.115 -7.852 7.318 1.00 1.09 H new ATOM 0 HG22 THR A 114 -14.471 -7.677 5.583 1.00 1.09 H new ATOM 0 HG23 THR A 114 -12.809 -8.015 6.120 1.00 1.09 H new ATOM 1619 N SER A 115 -14.002 -3.730 3.831 1.00 0.84 N ATOM 1620 CA SER A 115 -14.441 -2.329 3.578 1.00 0.89 C ATOM 1621 C SER A 115 -15.134 -1.779 4.828 1.00 0.94 C ATOM 1622 O SER A 115 -16.094 -2.342 5.314 1.00 1.21 O ATOM 1623 CB SER A 115 -15.414 -2.309 2.399 1.00 1.00 C ATOM 1624 OG SER A 115 -14.860 -3.052 1.322 1.00 1.62 O ATOM 0 H SER A 115 -14.256 -4.401 3.106 1.00 0.84 H new ATOM 0 HA SER A 115 -13.575 -1.710 3.344 1.00 0.89 H new ATOM 0 HB2 SER A 115 -16.372 -2.736 2.696 1.00 1.00 H new ATOM 0 HB3 SER A 115 -15.605 -1.282 2.087 1.00 1.00 H new ATOM 0 HG SER A 115 -14.793 -3.996 1.576 1.00 1.62 H new ATOM 1630 N ASN A 116 -14.652 -0.685 5.351 1.00 0.94 N ATOM 1631 CA ASN A 116 -15.281 -0.101 6.570 1.00 1.01 C ATOM 1632 C ASN A 116 -15.909 1.252 6.225 1.00 0.96 C ATOM 1633 O ASN A 116 -16.965 1.599 6.716 1.00 1.05 O ATOM 1634 CB ASN A 116 -14.217 0.093 7.651 1.00 1.29 C ATOM 1635 CG ASN A 116 -13.795 -1.269 8.207 1.00 1.72 C ATOM 1636 OD1 ASN A 116 -12.887 -1.892 7.694 1.00 2.39 O ATOM 1637 ND2 ASN A 116 -14.420 -1.758 9.243 1.00 2.34 N ATOM 0 H ASN A 116 -13.850 -0.170 4.987 1.00 0.94 H new ATOM 0 HA ASN A 116 -16.054 -0.777 6.937 1.00 1.01 H new ATOM 0 HB2 ASN A 116 -13.353 0.611 7.236 1.00 1.29 H new ATOM 0 HB3 ASN A 116 -14.609 0.719 8.453 1.00 1.29 H new ATOM 0 HD21 ASN A 116 -14.146 -2.664 9.623 1.00 2.34 H new ATOM 0 HD22 ASN A 116 -15.182 -1.234 9.673 1.00 2.34 H new ATOM 1644 N LEU A 117 -15.267 2.022 5.389 1.00 1.00 N ATOM 1645 CA LEU A 117 -15.830 3.352 5.020 1.00 1.05 C ATOM 1646 C LEU A 117 -16.235 3.347 3.544 1.00 0.92 C ATOM 1647 O LEU A 117 -15.579 2.753 2.712 1.00 1.09 O ATOM 1648 CB LEU A 117 -14.772 4.435 5.252 1.00 1.30 C ATOM 1649 CG LEU A 117 -15.096 5.203 6.535 1.00 1.59 C ATOM 1650 CD1 LEU A 117 -16.276 6.145 6.286 1.00 1.57 C ATOM 1651 CD2 LEU A 117 -15.458 4.212 7.644 1.00 2.54 C ATOM 0 H LEU A 117 -14.378 1.788 4.946 1.00 1.00 H new ATOM 0 HA LEU A 117 -16.706 3.557 5.636 1.00 1.05 H new ATOM 0 HB2 LEU A 117 -13.784 3.982 5.327 1.00 1.30 H new ATOM 0 HB3 LEU A 117 -14.745 5.119 4.404 1.00 1.30 H new ATOM 0 HG LEU A 117 -14.226 5.786 6.837 1.00 1.59 H new ATOM 0 HD11 LEU A 117 -16.505 6.691 7.201 1.00 1.57 H new ATOM 0 HD12 LEU A 117 -16.018 6.851 5.497 1.00 1.57 H new ATOM 0 HD13 LEU A 117 -17.147 5.565 5.982 1.00 1.57 H new ATOM 0 HD21 LEU A 117 -15.689 4.758 8.559 1.00 2.54 H new ATOM 0 HD22 LEU A 117 -16.327 3.628 7.341 1.00 2.54 H new ATOM 0 HD23 LEU A 117 -14.616 3.543 7.823 1.00 2.54 H new ATOM 1663 N THR A 118 -17.313 4.005 3.214 1.00 0.92 N ATOM 1664 CA THR A 118 -17.760 4.041 1.794 1.00 0.86 C ATOM 1665 C THR A 118 -16.968 5.108 1.035 1.00 0.86 C ATOM 1666 O THR A 118 -17.217 6.290 1.169 1.00 1.01 O ATOM 1667 CB THR A 118 -19.252 4.378 1.736 1.00 0.97 C ATOM 1668 OG1 THR A 118 -19.590 5.200 2.845 1.00 1.08 O ATOM 1669 CG2 THR A 118 -20.073 3.089 1.783 1.00 1.01 C ATOM 0 H THR A 118 -17.903 4.519 3.868 1.00 0.92 H new ATOM 0 HA THR A 118 -17.589 3.067 1.336 1.00 0.86 H new ATOM 0 HB THR A 118 -19.470 4.908 0.809 1.00 0.97 H new ATOM 0 HG1 THR A 118 -20.544 5.420 2.811 1.00 1.08 H new ATOM 0 HG21 THR A 118 -21.135 3.332 1.742 1.00 1.01 H new ATOM 0 HG22 THR A 118 -19.811 2.460 0.932 1.00 1.01 H new ATOM 0 HG23 THR A 118 -19.859 2.555 2.709 1.00 1.01 H new ATOM 1677 N PHE A 119 -16.019 4.703 0.238 1.00 0.84 N ATOM 1678 CA PHE A 119 -15.217 5.696 -0.529 1.00 0.91 C ATOM 1679 C PHE A 119 -15.532 5.555 -2.021 1.00 0.89 C ATOM 1680 O PHE A 119 -14.968 4.723 -2.704 1.00 1.00 O ATOM 1681 CB PHE A 119 -13.725 5.438 -0.298 1.00 1.04 C ATOM 1682 CG PHE A 119 -13.362 5.797 1.123 1.00 1.15 C ATOM 1683 CD1 PHE A 119 -13.576 7.099 1.595 1.00 1.73 C ATOM 1684 CD2 PHE A 119 -12.810 4.828 1.970 1.00 1.72 C ATOM 1685 CE1 PHE A 119 -13.239 7.430 2.913 1.00 1.93 C ATOM 1686 CE2 PHE A 119 -12.474 5.160 3.287 1.00 1.82 C ATOM 1687 CZ PHE A 119 -12.687 6.461 3.759 1.00 1.55 C ATOM 0 H PHE A 119 -15.764 3.727 0.085 1.00 0.84 H new ATOM 0 HA PHE A 119 -15.467 6.703 -0.194 1.00 0.91 H new ATOM 0 HB2 PHE A 119 -13.493 4.390 -0.489 1.00 1.04 H new ATOM 0 HB3 PHE A 119 -13.131 6.029 -0.996 1.00 1.04 H new ATOM 0 HD1 PHE A 119 -14.001 7.847 0.942 1.00 1.73 H new ATOM 0 HD2 PHE A 119 -12.644 3.825 1.607 1.00 1.72 H new ATOM 0 HE1 PHE A 119 -13.405 8.433 3.277 1.00 1.93 H new ATOM 0 HE2 PHE A 119 -12.050 4.412 3.940 1.00 1.82 H new ATOM 0 HZ PHE A 119 -12.426 6.717 4.775 1.00 1.55 H new ATOM 1697 N PRO A 120 -16.430 6.361 -2.519 1.00 0.87 N ATOM 1698 CA PRO A 120 -16.835 6.327 -3.952 1.00 0.90 C ATOM 1699 C PRO A 120 -15.818 7.024 -4.859 1.00 0.92 C ATOM 1700 O PRO A 120 -14.951 7.739 -4.397 1.00 0.99 O ATOM 1701 CB PRO A 120 -18.167 7.077 -3.966 1.00 1.03 C ATOM 1702 CG PRO A 120 -18.113 8.012 -2.802 1.00 1.21 C ATOM 1703 CD PRO A 120 -17.162 7.396 -1.770 1.00 1.00 C ATOM 0 HA PRO A 120 -16.903 5.307 -4.331 1.00 0.90 H new ATOM 0 HB2 PRO A 120 -18.300 7.622 -4.901 1.00 1.03 H new ATOM 0 HB3 PRO A 120 -19.006 6.387 -3.876 1.00 1.03 H new ATOM 0 HG2 PRO A 120 -17.758 8.994 -3.114 1.00 1.21 H new ATOM 0 HG3 PRO A 120 -19.106 8.152 -2.375 1.00 1.21 H new ATOM 0 HD2 PRO A 120 -16.484 8.144 -1.359 1.00 1.00 H new ATOM 0 HD3 PRO A 120 -17.710 6.967 -0.931 1.00 1.00 H new ATOM 1711 N PRO A 121 -15.927 6.815 -6.143 1.00 0.97 N ATOM 1712 CA PRO A 121 -15.012 7.429 -7.142 1.00 1.07 C ATOM 1713 C PRO A 121 -15.401 8.875 -7.461 1.00 1.30 C ATOM 1714 O PRO A 121 -14.607 9.648 -7.958 1.00 1.58 O ATOM 1715 CB PRO A 121 -15.186 6.542 -8.373 1.00 1.18 C ATOM 1716 CG PRO A 121 -16.574 5.997 -8.275 1.00 1.16 C ATOM 1717 CD PRO A 121 -16.944 5.969 -6.787 1.00 1.09 C ATOM 0 HA PRO A 121 -13.984 7.480 -6.784 1.00 1.07 H new ATOM 0 HB2 PRO A 121 -15.052 7.114 -9.291 1.00 1.18 H new ATOM 0 HB3 PRO A 121 -14.449 5.739 -8.387 1.00 1.18 H new ATOM 0 HG2 PRO A 121 -17.273 6.620 -8.834 1.00 1.16 H new ATOM 0 HG3 PRO A 121 -16.626 4.996 -8.704 1.00 1.16 H new ATOM 0 HD2 PRO A 121 -17.949 6.358 -6.620 1.00 1.09 H new ATOM 0 HD3 PRO A 121 -16.925 4.953 -6.392 1.00 1.09 H new ATOM 1725 N ASP A 122 -16.620 9.244 -7.174 1.00 1.36 N ATOM 1726 CA ASP A 122 -17.062 10.638 -7.456 1.00 1.71 C ATOM 1727 C ASP A 122 -17.472 11.317 -6.148 1.00 1.53 C ATOM 1728 O ASP A 122 -18.144 10.736 -5.320 1.00 1.71 O ATOM 1729 CB ASP A 122 -18.255 10.612 -8.415 1.00 2.19 C ATOM 1730 CG ASP A 122 -18.349 9.237 -9.077 1.00 2.91 C ATOM 1731 OD1 ASP A 122 -18.680 8.288 -8.385 1.00 3.44 O ATOM 1732 OD2 ASP A 122 -18.087 9.154 -10.267 1.00 3.50 O ATOM 0 H ASP A 122 -17.328 8.640 -6.757 1.00 1.36 H new ATOM 0 HA ASP A 122 -16.243 11.194 -7.912 1.00 1.71 H new ATOM 0 HB2 ASP A 122 -19.175 10.830 -7.873 1.00 2.19 H new ATOM 0 HB3 ASP A 122 -18.141 11.386 -9.174 1.00 2.19 H new ATOM 1737 N GLY A 123 -17.074 12.545 -5.954 1.00 1.87 N ATOM 1738 CA GLY A 123 -17.440 13.259 -4.699 1.00 1.89 C ATOM 1739 C GLY A 123 -16.345 14.268 -4.346 1.00 1.78 C ATOM 1740 O GLY A 123 -16.150 15.252 -5.031 1.00 2.09 O ATOM 0 H GLY A 123 -16.511 13.084 -6.611 1.00 1.87 H new ATOM 0 HA2 GLY A 123 -18.394 13.771 -4.825 1.00 1.89 H new ATOM 0 HA3 GLY A 123 -17.567 12.545 -3.886 1.00 1.89 H new ATOM 1744 N ASP A 124 -15.629 14.031 -3.281 1.00 1.84 N ATOM 1745 CA ASP A 124 -14.546 14.976 -2.886 1.00 1.86 C ATOM 1746 C ASP A 124 -13.185 14.339 -3.174 1.00 1.57 C ATOM 1747 O ASP A 124 -12.175 15.011 -3.235 1.00 2.04 O ATOM 1748 CB ASP A 124 -14.659 15.284 -1.392 1.00 2.39 C ATOM 1749 CG ASP A 124 -15.492 16.552 -1.192 1.00 3.01 C ATOM 1750 OD1 ASP A 124 -16.675 16.513 -1.488 1.00 3.67 O ATOM 1751 OD2 ASP A 124 -14.932 17.540 -0.746 1.00 3.33 O ATOM 0 H ASP A 124 -15.747 13.225 -2.668 1.00 1.84 H new ATOM 0 HA ASP A 124 -14.643 15.900 -3.456 1.00 1.86 H new ATOM 0 HB2 ASP A 124 -15.123 14.446 -0.872 1.00 2.39 H new ATOM 0 HB3 ASP A 124 -13.666 15.417 -0.961 1.00 2.39 H new ATOM 1756 N ALA A 125 -13.150 13.046 -3.350 1.00 1.35 N ATOM 1757 CA ALA A 125 -11.854 12.369 -3.633 1.00 1.51 C ATOM 1758 C ALA A 125 -12.121 10.937 -4.104 1.00 1.30 C ATOM 1759 O ALA A 125 -12.743 10.156 -3.410 1.00 1.46 O ATOM 1760 CB ALA A 125 -11.011 12.335 -2.356 1.00 2.10 C ATOM 0 H ALA A 125 -13.962 12.430 -3.310 1.00 1.35 H new ATOM 0 HA ALA A 125 -11.319 12.914 -4.410 1.00 1.51 H new ATOM 0 HB1 ALA A 125 -10.062 11.840 -2.560 1.00 2.10 H new ATOM 0 HB2 ALA A 125 -10.824 13.354 -2.017 1.00 2.10 H new ATOM 0 HB3 ALA A 125 -11.547 11.787 -1.581 1.00 2.10 H new ATOM 1766 N PRO A 126 -11.655 10.592 -5.276 1.00 1.12 N ATOM 1767 CA PRO A 126 -11.847 9.229 -5.845 1.00 1.10 C ATOM 1768 C PRO A 126 -10.910 8.199 -5.208 1.00 1.04 C ATOM 1769 O PRO A 126 -10.392 8.403 -4.128 1.00 1.72 O ATOM 1770 CB PRO A 126 -11.517 9.408 -7.326 1.00 1.18 C ATOM 1771 CG PRO A 126 -10.572 10.563 -7.384 1.00 1.24 C ATOM 1772 CD PRO A 126 -10.894 11.462 -6.188 1.00 1.17 C ATOM 0 HA PRO A 126 -12.853 8.851 -5.665 1.00 1.10 H new ATOM 0 HB2 PRO A 126 -11.063 8.507 -7.739 1.00 1.18 H new ATOM 0 HB3 PRO A 126 -12.417 9.607 -7.908 1.00 1.18 H new ATOM 0 HG2 PRO A 126 -9.539 10.219 -7.341 1.00 1.24 H new ATOM 0 HG3 PRO A 126 -10.687 11.110 -8.320 1.00 1.24 H new ATOM 0 HD2 PRO A 126 -9.986 11.837 -5.716 1.00 1.17 H new ATOM 0 HD3 PRO A 126 -11.479 12.331 -6.489 1.00 1.17 H new ATOM 1780 N GLY A 127 -10.687 7.096 -5.869 1.00 0.78 N ATOM 1781 CA GLY A 127 -9.783 6.059 -5.299 1.00 0.72 C ATOM 1782 C GLY A 127 -8.405 6.669 -5.042 1.00 0.68 C ATOM 1783 O GLY A 127 -8.109 7.764 -5.479 1.00 0.75 O ATOM 0 H GLY A 127 -11.091 6.869 -6.778 1.00 0.78 H new ATOM 0 HA2 GLY A 127 -10.199 5.670 -4.370 1.00 0.72 H new ATOM 0 HA3 GLY A 127 -9.698 5.218 -5.987 1.00 0.72 H new ATOM 1787 N GLN A 128 -7.557 5.971 -4.336 1.00 0.62 N ATOM 1788 CA GLN A 128 -6.201 6.516 -4.055 1.00 0.62 C ATOM 1789 C GLN A 128 -5.233 5.361 -3.790 1.00 0.58 C ATOM 1790 O GLN A 128 -5.538 4.434 -3.066 1.00 0.68 O ATOM 1791 CB GLN A 128 -6.259 7.425 -2.824 1.00 0.67 C ATOM 1792 CG GLN A 128 -5.152 8.479 -2.912 1.00 0.93 C ATOM 1793 CD GLN A 128 -4.431 8.577 -1.568 1.00 1.49 C ATOM 1794 OE1 GLN A 128 -3.218 8.595 -1.515 1.00 2.19 O ATOM 1795 NE2 GLN A 128 -5.132 8.643 -0.468 1.00 2.09 N ATOM 0 H GLN A 128 -7.745 5.049 -3.943 1.00 0.62 H new ATOM 0 HA GLN A 128 -5.856 7.091 -4.914 1.00 0.62 H new ATOM 0 HB2 GLN A 128 -7.233 7.910 -2.763 1.00 0.67 H new ATOM 0 HB3 GLN A 128 -6.140 6.833 -1.916 1.00 0.67 H new ATOM 0 HG2 GLN A 128 -4.444 8.213 -3.697 1.00 0.93 H new ATOM 0 HG3 GLN A 128 -5.577 9.446 -3.180 1.00 0.93 H new ATOM 0 HE21 GLN A 128 -6.151 8.628 -0.511 1.00 2.09 H new ATOM 0 HE22 GLN A 128 -4.660 8.710 0.434 1.00 2.09 H new ATOM 1804 N VAL A 129 -4.066 5.413 -4.370 1.00 0.50 N ATOM 1805 CA VAL A 129 -3.072 4.326 -4.154 1.00 0.51 C ATOM 1806 C VAL A 129 -1.681 4.947 -4.043 1.00 0.47 C ATOM 1807 O VAL A 129 -1.401 5.965 -4.642 1.00 0.73 O ATOM 1808 CB VAL A 129 -3.104 3.357 -5.337 1.00 0.64 C ATOM 1809 CG1 VAL A 129 -1.880 2.442 -5.280 1.00 0.91 C ATOM 1810 CG2 VAL A 129 -4.377 2.510 -5.271 1.00 1.43 C ATOM 0 H VAL A 129 -3.757 6.165 -4.987 1.00 0.50 H new ATOM 0 HA VAL A 129 -3.312 3.782 -3.240 1.00 0.51 H new ATOM 0 HB VAL A 129 -3.093 3.923 -6.269 1.00 0.64 H new ATOM 0 HG11 VAL A 129 -1.903 1.751 -6.123 1.00 0.91 H new ATOM 0 HG12 VAL A 129 -0.973 3.044 -5.329 1.00 0.91 H new ATOM 0 HG13 VAL A 129 -1.891 1.877 -4.348 1.00 0.91 H new ATOM 0 HG21 VAL A 129 -4.399 1.820 -6.114 1.00 1.43 H new ATOM 0 HG22 VAL A 129 -4.390 1.945 -4.339 1.00 1.43 H new ATOM 0 HG23 VAL A 129 -5.250 3.161 -5.312 1.00 1.43 H new ATOM 1820 N ALA A 130 -0.807 4.352 -3.282 1.00 0.47 N ATOM 1821 CA ALA A 130 0.556 4.933 -3.147 1.00 0.44 C ATOM 1822 C ALA A 130 1.497 3.916 -2.502 1.00 0.42 C ATOM 1823 O ALA A 130 1.444 3.669 -1.313 1.00 0.47 O ATOM 1824 CB ALA A 130 0.484 6.189 -2.278 1.00 0.46 C ATOM 0 H ALA A 130 -0.975 3.497 -2.752 1.00 0.47 H new ATOM 0 HA ALA A 130 0.938 5.191 -4.135 1.00 0.44 H new ATOM 0 HB1 ALA A 130 1.481 6.619 -2.176 1.00 0.46 H new ATOM 0 HB2 ALA A 130 -0.179 6.917 -2.745 1.00 0.46 H new ATOM 0 HB3 ALA A 130 0.099 5.928 -1.292 1.00 0.46 H new ATOM 1830 N PHE A 131 2.368 3.334 -3.278 1.00 0.44 N ATOM 1831 CA PHE A 131 3.326 2.345 -2.711 1.00 0.47 C ATOM 1832 C PHE A 131 4.511 3.108 -2.120 1.00 0.47 C ATOM 1833 O PHE A 131 5.298 3.693 -2.837 1.00 0.53 O ATOM 1834 CB PHE A 131 3.828 1.414 -3.816 1.00 0.55 C ATOM 1835 CG PHE A 131 2.697 0.560 -4.347 1.00 0.40 C ATOM 1836 CD1 PHE A 131 1.379 0.760 -3.910 1.00 1.32 C ATOM 1837 CD2 PHE A 131 2.976 -0.439 -5.288 1.00 1.18 C ATOM 1838 CE1 PHE A 131 0.347 -0.040 -4.414 1.00 1.38 C ATOM 1839 CE2 PHE A 131 1.942 -1.238 -5.791 1.00 1.24 C ATOM 1840 CZ PHE A 131 0.628 -1.038 -5.355 1.00 0.70 C ATOM 0 H PHE A 131 2.458 3.500 -4.280 1.00 0.44 H new ATOM 0 HA PHE A 131 2.832 1.750 -1.943 1.00 0.47 H new ATOM 0 HB2 PHE A 131 4.259 2.002 -4.627 1.00 0.55 H new ATOM 0 HB3 PHE A 131 4.622 0.776 -3.428 1.00 0.55 H new ATOM 0 HD1 PHE A 131 1.161 1.531 -3.185 1.00 1.32 H new ATOM 0 HD2 PHE A 131 3.990 -0.593 -5.626 1.00 1.18 H new ATOM 0 HE1 PHE A 131 -0.668 0.113 -4.077 1.00 1.38 H new ATOM 0 HE2 PHE A 131 2.159 -2.009 -6.516 1.00 1.24 H new ATOM 0 HZ PHE A 131 -0.170 -1.653 -5.744 1.00 0.70 H new ATOM 1850 N HIS A 132 4.639 3.124 -0.822 1.00 0.50 N ATOM 1851 CA HIS A 132 5.768 3.870 -0.199 1.00 0.54 C ATOM 1852 C HIS A 132 6.896 2.905 0.168 1.00 0.50 C ATOM 1853 O HIS A 132 6.718 1.988 0.946 1.00 0.58 O ATOM 1854 CB HIS A 132 5.271 4.579 1.063 1.00 0.72 C ATOM 1855 CG HIS A 132 4.511 5.820 0.680 1.00 0.80 C ATOM 1856 ND1 HIS A 132 3.707 6.499 1.582 1.00 1.08 N ATOM 1857 CD2 HIS A 132 4.420 6.518 -0.500 1.00 1.01 C ATOM 1858 CE1 HIS A 132 3.174 7.554 0.939 1.00 1.14 C ATOM 1859 NE2 HIS A 132 3.576 7.613 -0.333 1.00 1.13 N ATOM 0 H HIS A 132 4.013 2.654 -0.168 1.00 0.50 H new ATOM 0 HA HIS A 132 6.147 4.605 -0.909 1.00 0.54 H new ATOM 0 HB2 HIS A 132 4.630 3.911 1.639 1.00 0.72 H new ATOM 0 HB3 HIS A 132 6.115 4.840 1.702 1.00 0.72 H new ATOM 0 HD2 HIS A 132 4.926 6.257 -1.418 1.00 1.01 H new ATOM 0 HE1 HIS A 132 2.503 8.266 1.396 1.00 1.14 H new ATOM 0 HE2 HIS A 132 3.320 8.310 -1.032 1.00 1.13 H new ATOM 1867 N LEU A 133 8.059 3.112 -0.386 1.00 0.53 N ATOM 1868 CA LEU A 133 9.210 2.219 -0.076 1.00 0.62 C ATOM 1869 C LEU A 133 10.422 3.075 0.302 1.00 0.77 C ATOM 1870 O LEU A 133 11.442 2.569 0.729 1.00 1.15 O ATOM 1871 CB LEU A 133 9.546 1.371 -1.303 1.00 0.71 C ATOM 1872 CG LEU A 133 8.381 1.418 -2.293 1.00 0.56 C ATOM 1873 CD1 LEU A 133 8.390 2.759 -3.031 1.00 0.72 C ATOM 1874 CD2 LEU A 133 8.527 0.278 -3.303 1.00 0.79 C ATOM 0 H LEU A 133 8.262 3.865 -1.043 1.00 0.53 H new ATOM 0 HA LEU A 133 8.951 1.562 0.754 1.00 0.62 H new ATOM 0 HB2 LEU A 133 10.455 1.743 -1.777 1.00 0.71 H new ATOM 0 HB3 LEU A 133 9.741 0.341 -1.004 1.00 0.71 H new ATOM 0 HG LEU A 133 7.440 1.309 -1.753 1.00 0.56 H new ATOM 0 HD11 LEU A 133 7.560 2.792 -3.736 1.00 0.72 H new ATOM 0 HD12 LEU A 133 8.287 3.571 -2.311 1.00 0.72 H new ATOM 0 HD13 LEU A 133 9.330 2.870 -3.572 1.00 0.72 H new ATOM 0 HD21 LEU A 133 7.698 0.310 -4.010 1.00 0.79 H new ATOM 0 HD22 LEU A 133 9.468 0.388 -3.842 1.00 0.79 H new ATOM 0 HD23 LEU A 133 8.520 -0.677 -2.777 1.00 0.79 H new ATOM 1886 N GLY A 134 10.318 4.367 0.150 1.00 0.91 N ATOM 1887 CA GLY A 134 11.463 5.255 0.501 1.00 1.05 C ATOM 1888 C GLY A 134 11.841 5.041 1.968 1.00 0.74 C ATOM 1889 O GLY A 134 11.013 5.136 2.851 1.00 1.27 O ATOM 0 H GLY A 134 9.489 4.846 -0.202 1.00 0.91 H new ATOM 0 HA2 GLY A 134 12.316 5.038 -0.141 1.00 1.05 H new ATOM 0 HA3 GLY A 134 11.194 6.298 0.332 1.00 1.05 H new ATOM 1893 N LYS A 135 13.084 4.747 2.236 1.00 0.67 N ATOM 1894 CA LYS A 135 13.508 4.521 3.647 1.00 1.00 C ATOM 1895 C LYS A 135 15.026 4.649 3.763 1.00 0.77 C ATOM 1896 O LYS A 135 15.768 4.016 3.038 1.00 0.96 O ATOM 1897 CB LYS A 135 13.090 3.115 4.085 1.00 1.85 C ATOM 1898 CG LYS A 135 11.569 3.052 4.232 1.00 2.36 C ATOM 1899 CD LYS A 135 11.189 1.815 5.051 1.00 3.22 C ATOM 1900 CE LYS A 135 10.655 2.250 6.417 1.00 3.96 C ATOM 1901 NZ LYS A 135 10.689 1.092 7.355 1.00 4.74 N ATOM 0 H LYS A 135 13.824 4.654 1.540 1.00 0.67 H new ATOM 0 HA LYS A 135 13.032 5.266 4.285 1.00 1.00 H new ATOM 0 HB2 LYS A 135 13.425 2.381 3.352 1.00 1.85 H new ATOM 0 HB3 LYS A 135 13.567 2.861 5.032 1.00 1.85 H new ATOM 0 HG2 LYS A 135 11.202 3.954 4.723 1.00 2.36 H new ATOM 0 HG3 LYS A 135 11.099 3.010 3.249 1.00 2.36 H new ATOM 0 HD2 LYS A 135 10.434 1.234 4.522 1.00 3.22 H new ATOM 0 HD3 LYS A 135 12.058 1.169 5.177 1.00 3.22 H new ATOM 0 HE2 LYS A 135 11.257 3.069 6.811 1.00 3.96 H new ATOM 0 HE3 LYS A 135 9.635 2.623 6.319 1.00 3.96 H new ATOM 0 HZ1 LYS A 135 10.326 1.387 8.284 1.00 4.74 H new ATOM 0 HZ2 LYS A 135 10.097 0.324 6.980 1.00 4.74 H new ATOM 0 HZ3 LYS A 135 11.668 0.756 7.457 1.00 4.74 H new ATOM 1915 N ALA A 136 15.501 5.451 4.679 1.00 1.01 N ATOM 1916 CA ALA A 136 16.975 5.589 4.838 1.00 1.17 C ATOM 1917 C ALA A 136 17.590 4.194 4.752 1.00 1.33 C ATOM 1918 O ALA A 136 18.770 4.030 4.511 1.00 1.59 O ATOM 1919 CB ALA A 136 17.291 6.207 6.201 1.00 1.51 C ATOM 0 H ALA A 136 14.937 6.011 5.318 1.00 1.01 H new ATOM 0 HA ALA A 136 17.382 6.233 4.059 1.00 1.17 H new ATOM 0 HB1 ALA A 136 18.371 6.306 6.314 1.00 1.51 H new ATOM 0 HB2 ALA A 136 16.827 7.191 6.271 1.00 1.51 H new ATOM 0 HB3 ALA A 136 16.901 5.565 6.991 1.00 1.51 H new ATOM 1925 N GLY A 137 16.783 3.186 4.939 1.00 1.34 N ATOM 1926 CA GLY A 137 17.288 1.789 4.862 1.00 1.61 C ATOM 1927 C GLY A 137 16.568 1.066 3.724 1.00 1.25 C ATOM 1928 O GLY A 137 16.667 -0.135 3.575 1.00 1.48 O ATOM 0 H GLY A 137 15.787 3.273 5.143 1.00 1.34 H new ATOM 0 HA2 GLY A 137 18.364 1.786 4.690 1.00 1.61 H new ATOM 0 HA3 GLY A 137 17.115 1.273 5.806 1.00 1.61 H new ATOM 1932 N ALA A 138 15.839 1.798 2.923 1.00 0.99 N ATOM 1933 CA ALA A 138 15.102 1.172 1.787 1.00 1.21 C ATOM 1934 C ALA A 138 16.042 0.256 0.999 1.00 0.93 C ATOM 1935 O ALA A 138 17.005 -0.266 1.524 1.00 1.13 O ATOM 1936 CB ALA A 138 14.575 2.268 0.861 1.00 1.69 C ATOM 0 H ALA A 138 15.722 2.808 3.008 1.00 0.99 H new ATOM 0 HA ALA A 138 14.271 0.586 2.178 1.00 1.21 H new ATOM 0 HB1 ALA A 138 14.036 1.814 0.030 1.00 1.69 H new ATOM 0 HB2 ALA A 138 13.902 2.921 1.416 1.00 1.69 H new ATOM 0 HB3 ALA A 138 15.411 2.852 0.476 1.00 1.69 H new ATOM 1942 N TYR A 139 15.769 0.053 -0.261 1.00 0.80 N ATOM 1943 CA TYR A 139 16.647 -0.835 -1.072 1.00 0.63 C ATOM 1944 C TYR A 139 16.301 -0.700 -2.558 1.00 0.63 C ATOM 1945 O TYR A 139 16.488 0.341 -3.156 1.00 0.88 O ATOM 1946 CB TYR A 139 16.446 -2.286 -0.626 1.00 0.63 C ATOM 1947 CG TYR A 139 14.977 -2.561 -0.382 1.00 0.80 C ATOM 1948 CD1 TYR A 139 13.991 -1.742 -0.951 1.00 1.56 C ATOM 1949 CD2 TYR A 139 14.602 -3.646 0.419 1.00 1.50 C ATOM 1950 CE1 TYR A 139 12.636 -2.010 -0.718 1.00 1.82 C ATOM 1951 CE2 TYR A 139 13.246 -3.914 0.651 1.00 1.78 C ATOM 1952 CZ TYR A 139 12.265 -3.095 0.082 1.00 1.57 C ATOM 1953 OH TYR A 139 10.930 -3.357 0.311 1.00 2.00 O ATOM 0 H TYR A 139 14.980 0.462 -0.761 1.00 0.80 H new ATOM 0 HA TYR A 139 17.688 -0.546 -0.924 1.00 0.63 H new ATOM 0 HB2 TYR A 139 16.828 -2.964 -1.389 1.00 0.63 H new ATOM 0 HB3 TYR A 139 17.015 -2.476 0.284 1.00 0.63 H new ATOM 0 HD1 TYR A 139 14.277 -0.904 -1.569 1.00 1.56 H new ATOM 0 HD2 TYR A 139 15.359 -4.278 0.859 1.00 1.50 H new ATOM 0 HE1 TYR A 139 11.878 -1.378 -1.156 1.00 1.82 H new ATOM 0 HE2 TYR A 139 12.959 -4.752 1.269 1.00 1.78 H new ATOM 0 HH TYR A 139 10.442 -3.336 -0.539 1.00 2.00 H new ATOM 1963 N GLU A 140 15.796 -1.744 -3.157 1.00 0.55 N ATOM 1964 CA GLU A 140 15.434 -1.677 -4.602 1.00 0.54 C ATOM 1965 C GLU A 140 14.016 -2.219 -4.792 1.00 0.48 C ATOM 1966 O GLU A 140 13.635 -3.206 -4.194 1.00 0.60 O ATOM 1967 CB GLU A 140 16.419 -2.521 -5.413 1.00 0.58 C ATOM 1968 CG GLU A 140 17.655 -1.684 -5.749 1.00 0.99 C ATOM 1969 CD GLU A 140 18.747 -2.589 -6.321 1.00 1.54 C ATOM 1970 OE1 GLU A 140 18.603 -3.014 -7.455 1.00 2.04 O ATOM 1971 OE2 GLU A 140 19.710 -2.840 -5.614 1.00 2.30 O ATOM 0 H GLU A 140 15.618 -2.642 -2.707 1.00 0.55 H new ATOM 0 HA GLU A 140 15.478 -0.643 -4.944 1.00 0.54 H new ATOM 0 HB2 GLU A 140 16.709 -3.405 -4.846 1.00 0.58 H new ATOM 0 HB3 GLU A 140 15.945 -2.872 -6.329 1.00 0.58 H new ATOM 0 HG2 GLU A 140 17.397 -0.909 -6.470 1.00 0.99 H new ATOM 0 HG3 GLU A 140 18.019 -1.179 -4.854 1.00 0.99 H new ATOM 1978 N PHE A 141 13.230 -1.581 -5.614 1.00 0.38 N ATOM 1979 CA PHE A 141 11.835 -2.062 -5.833 1.00 0.35 C ATOM 1980 C PHE A 141 11.657 -2.471 -7.297 1.00 0.32 C ATOM 1981 O PHE A 141 11.767 -1.659 -8.194 1.00 0.39 O ATOM 1982 CB PHE A 141 10.855 -0.937 -5.492 1.00 0.39 C ATOM 1983 CG PHE A 141 9.484 -1.515 -5.239 1.00 0.41 C ATOM 1984 CD1 PHE A 141 9.296 -2.454 -4.217 1.00 1.20 C ATOM 1985 CD2 PHE A 141 8.399 -1.107 -6.023 1.00 1.39 C ATOM 1986 CE1 PHE A 141 8.022 -2.985 -3.981 1.00 1.24 C ATOM 1987 CE2 PHE A 141 7.125 -1.638 -5.787 1.00 1.47 C ATOM 1988 CZ PHE A 141 6.937 -2.578 -4.766 1.00 0.71 C ATOM 0 H PHE A 141 13.491 -0.749 -6.143 1.00 0.38 H new ATOM 0 HA PHE A 141 11.641 -2.923 -5.193 1.00 0.35 H new ATOM 0 HB2 PHE A 141 11.200 -0.396 -4.611 1.00 0.39 H new ATOM 0 HB3 PHE A 141 10.812 -0.219 -6.311 1.00 0.39 H new ATOM 0 HD1 PHE A 141 10.133 -2.768 -3.611 1.00 1.20 H new ATOM 0 HD2 PHE A 141 8.544 -0.382 -6.810 1.00 1.39 H new ATOM 0 HE1 PHE A 141 7.877 -3.709 -3.193 1.00 1.24 H new ATOM 0 HE2 PHE A 141 6.288 -1.323 -6.392 1.00 1.47 H new ATOM 0 HZ PHE A 141 5.955 -2.989 -4.584 1.00 0.71 H new ATOM 1998 N CYS A 142 11.389 -3.724 -7.548 1.00 0.30 N ATOM 1999 CA CYS A 142 11.212 -4.183 -8.954 1.00 0.30 C ATOM 2000 C CYS A 142 9.765 -4.630 -9.182 1.00 0.30 C ATOM 2001 O CYS A 142 9.391 -5.741 -8.862 1.00 0.37 O ATOM 2002 CB CYS A 142 12.150 -5.360 -9.220 1.00 0.37 C ATOM 2003 SG CYS A 142 13.739 -4.757 -9.845 1.00 0.44 S ATOM 0 H CYS A 142 11.285 -4.450 -6.839 1.00 0.30 H new ATOM 0 HA CYS A 142 11.443 -3.361 -9.631 1.00 0.30 H new ATOM 0 HB2 CYS A 142 12.303 -5.928 -8.303 1.00 0.37 H new ATOM 0 HB3 CYS A 142 11.699 -6.039 -9.944 1.00 0.37 H new ATOM 2008 N ILE A 143 8.954 -3.776 -9.745 1.00 0.34 N ATOM 2009 CA ILE A 143 7.535 -4.148 -10.006 1.00 0.37 C ATOM 2010 C ILE A 143 7.298 -4.203 -11.513 1.00 0.34 C ATOM 2011 O ILE A 143 7.810 -3.402 -12.267 1.00 0.35 O ATOM 2012 CB ILE A 143 6.611 -3.110 -9.370 1.00 0.45 C ATOM 2013 CG1 ILE A 143 5.557 -2.656 -10.385 1.00 0.57 C ATOM 2014 CG2 ILE A 143 7.434 -1.904 -8.920 1.00 0.51 C ATOM 2015 CD1 ILE A 143 4.539 -1.749 -9.693 1.00 0.82 C ATOM 0 H ILE A 143 9.214 -2.834 -10.036 1.00 0.34 H new ATOM 0 HA ILE A 143 7.324 -5.126 -9.572 1.00 0.37 H new ATOM 0 HB ILE A 143 6.112 -3.556 -8.510 1.00 0.45 H new ATOM 0 HG12 ILE A 143 6.035 -2.123 -11.207 1.00 0.57 H new ATOM 0 HG13 ILE A 143 5.055 -3.522 -10.815 1.00 0.57 H new ATOM 0 HG21 ILE A 143 6.776 -1.163 -8.466 1.00 0.51 H new ATOM 0 HG22 ILE A 143 8.178 -2.223 -8.191 1.00 0.51 H new ATOM 0 HG23 ILE A 143 7.936 -1.464 -9.782 1.00 0.51 H new ATOM 0 HD11 ILE A 143 3.789 -1.426 -10.415 1.00 0.82 H new ATOM 0 HD12 ILE A 143 4.053 -2.297 -8.886 1.00 0.82 H new ATOM 0 HD13 ILE A 143 5.048 -0.876 -9.284 1.00 0.82 H new ATOM 2027 N SER A 144 6.521 -5.150 -11.948 1.00 0.37 N ATOM 2028 CA SER A 144 6.238 -5.275 -13.403 1.00 0.41 C ATOM 2029 C SER A 144 4.731 -5.406 -13.616 1.00 0.40 C ATOM 2030 O SER A 144 4.245 -5.329 -14.727 1.00 0.47 O ATOM 2031 CB SER A 144 6.938 -6.518 -13.953 1.00 0.51 C ATOM 2032 OG SER A 144 6.329 -7.679 -13.406 1.00 0.64 O ATOM 0 H SER A 144 6.067 -5.847 -11.357 1.00 0.37 H new ATOM 0 HA SER A 144 6.605 -4.390 -13.923 1.00 0.41 H new ATOM 0 HB2 SER A 144 6.871 -6.536 -15.041 1.00 0.51 H new ATOM 0 HB3 SER A 144 7.998 -6.495 -13.699 1.00 0.51 H new ATOM 0 HG SER A 144 6.774 -8.478 -13.758 1.00 0.64 H new ATOM 2038 N GLN A 145 3.986 -5.604 -12.564 1.00 0.40 N ATOM 2039 CA GLN A 145 2.509 -5.742 -12.726 1.00 0.48 C ATOM 2040 C GLN A 145 1.785 -5.197 -11.493 1.00 0.44 C ATOM 2041 O GLN A 145 2.396 -4.777 -10.530 1.00 0.48 O ATOM 2042 CB GLN A 145 2.148 -7.218 -12.908 1.00 0.68 C ATOM 2043 CG GLN A 145 3.226 -7.916 -13.740 1.00 0.73 C ATOM 2044 CD GLN A 145 2.744 -9.315 -14.131 1.00 1.21 C ATOM 2045 OE1 GLN A 145 1.890 -9.935 -13.364 1.00 1.83 O flip ATOM 2046 NE2 GLN A 145 3.148 -9.847 -15.146 1.00 1.94 N flip ATOM 0 H GLN A 145 4.331 -5.676 -11.607 1.00 0.40 H new ATOM 0 HA GLN A 145 2.200 -5.173 -13.603 1.00 0.48 H new ATOM 0 HB2 GLN A 145 2.056 -7.702 -11.936 1.00 0.68 H new ATOM 0 HB3 GLN A 145 1.180 -7.307 -13.401 1.00 0.68 H new ATOM 0 HG2 GLN A 145 3.445 -7.332 -14.634 1.00 0.73 H new ATOM 0 HG3 GLN A 145 4.152 -7.985 -13.170 1.00 0.73 H new ATOM 0 HE21 GLN A 145 3.816 -9.362 -15.745 1.00 1.94 H new ATOM 0 HE22 GLN A 145 2.819 -10.779 -15.399 1.00 1.94 H new ATOM 2055 N VAL A 146 0.480 -5.208 -11.523 1.00 0.44 N ATOM 2056 CA VAL A 146 -0.312 -4.700 -10.366 1.00 0.49 C ATOM 2057 C VAL A 146 -1.802 -4.858 -10.680 1.00 0.58 C ATOM 2058 O VAL A 146 -2.311 -4.284 -11.623 1.00 0.86 O ATOM 2059 CB VAL A 146 0.015 -3.224 -10.126 1.00 0.60 C ATOM 2060 CG1 VAL A 146 -0.876 -2.347 -11.008 1.00 1.11 C ATOM 2061 CG2 VAL A 146 -0.230 -2.882 -8.656 1.00 1.15 C ATOM 0 H VAL A 146 -0.076 -5.550 -12.306 1.00 0.44 H new ATOM 0 HA VAL A 146 -0.063 -5.267 -9.469 1.00 0.49 H new ATOM 0 HB VAL A 146 1.060 -3.041 -10.375 1.00 0.60 H new ATOM 0 HG11 VAL A 146 -0.640 -1.297 -10.834 1.00 1.11 H new ATOM 0 HG12 VAL A 146 -0.701 -2.589 -12.056 1.00 1.11 H new ATOM 0 HG13 VAL A 146 -1.922 -2.529 -10.763 1.00 1.11 H new ATOM 0 HG21 VAL A 146 0.002 -1.831 -8.483 1.00 1.15 H new ATOM 0 HG22 VAL A 146 -1.275 -3.068 -8.408 1.00 1.15 H new ATOM 0 HG23 VAL A 146 0.408 -3.503 -8.027 1.00 1.15 H new ATOM 2071 N SER A 147 -2.506 -5.643 -9.911 1.00 0.52 N ATOM 2072 CA SER A 147 -3.955 -5.841 -10.186 1.00 0.70 C ATOM 2073 C SER A 147 -4.778 -5.497 -8.944 1.00 0.46 C ATOM 2074 O SER A 147 -4.324 -5.630 -7.825 1.00 0.64 O ATOM 2075 CB SER A 147 -4.203 -7.299 -10.575 1.00 1.17 C ATOM 2076 OG SER A 147 -4.067 -8.120 -9.424 1.00 1.61 O ATOM 0 H SER A 147 -2.141 -6.154 -9.107 1.00 0.52 H new ATOM 0 HA SER A 147 -4.256 -5.186 -11.003 1.00 0.70 H new ATOM 0 HB2 SER A 147 -5.201 -7.410 -10.999 1.00 1.17 H new ATOM 0 HB3 SER A 147 -3.494 -7.609 -11.343 1.00 1.17 H new ATOM 0 HG SER A 147 -3.124 -8.159 -9.160 1.00 1.61 H new ATOM 2082 N LEU A 148 -5.993 -5.060 -9.139 1.00 0.62 N ATOM 2083 CA LEU A 148 -6.861 -4.709 -7.981 1.00 0.75 C ATOM 2084 C LEU A 148 -8.260 -5.283 -8.216 1.00 0.77 C ATOM 2085 O LEU A 148 -8.903 -4.989 -9.205 1.00 0.98 O ATOM 2086 CB LEU A 148 -6.940 -3.184 -7.849 1.00 1.11 C ATOM 2087 CG LEU A 148 -8.368 -2.758 -7.493 1.00 0.88 C ATOM 2088 CD1 LEU A 148 -8.837 -3.513 -6.247 1.00 1.13 C ATOM 2089 CD2 LEU A 148 -8.393 -1.254 -7.215 1.00 1.30 C ATOM 0 H LEU A 148 -6.422 -4.931 -10.055 1.00 0.62 H new ATOM 0 HA LEU A 148 -6.445 -5.126 -7.064 1.00 0.75 H new ATOM 0 HB2 LEU A 148 -6.248 -2.842 -7.080 1.00 1.11 H new ATOM 0 HB3 LEU A 148 -6.635 -2.714 -8.784 1.00 1.11 H new ATOM 0 HG LEU A 148 -9.032 -2.989 -8.326 1.00 0.88 H new ATOM 0 HD11 LEU A 148 -9.853 -3.207 -5.997 1.00 1.13 H new ATOM 0 HD12 LEU A 148 -8.819 -4.585 -6.443 1.00 1.13 H new ATOM 0 HD13 LEU A 148 -8.174 -3.285 -5.412 1.00 1.13 H new ATOM 0 HD21 LEU A 148 -9.408 -0.948 -6.961 1.00 1.30 H new ATOM 0 HD22 LEU A 148 -7.727 -1.027 -6.383 1.00 1.30 H new ATOM 0 HD23 LEU A 148 -8.062 -0.714 -8.102 1.00 1.30 H new ATOM 2101 N THR A 149 -8.739 -6.102 -7.321 1.00 0.68 N ATOM 2102 CA THR A 149 -10.095 -6.691 -7.504 1.00 0.76 C ATOM 2103 C THR A 149 -10.747 -6.917 -6.138 1.00 0.75 C ATOM 2104 O THR A 149 -10.364 -6.323 -5.149 1.00 0.77 O ATOM 2105 CB THR A 149 -9.979 -8.027 -8.240 1.00 0.98 C ATOM 2106 OG1 THR A 149 -11.206 -8.733 -8.126 1.00 1.21 O ATOM 2107 CG2 THR A 149 -8.850 -8.858 -7.627 1.00 1.01 C ATOM 0 H THR A 149 -8.251 -6.388 -6.472 1.00 0.68 H new ATOM 0 HA THR A 149 -10.708 -6.006 -8.089 1.00 0.76 H new ATOM 0 HB THR A 149 -9.758 -7.845 -9.292 1.00 0.98 H new ATOM 0 HG1 THR A 149 -11.075 -9.528 -7.568 1.00 1.21 H new ATOM 0 HG21 THR A 149 -8.771 -9.809 -8.154 1.00 1.01 H new ATOM 0 HG22 THR A 149 -7.909 -8.315 -7.715 1.00 1.01 H new ATOM 0 HG23 THR A 149 -9.065 -9.043 -6.575 1.00 1.01 H new ATOM 2115 N THR A 150 -11.733 -7.770 -6.078 1.00 0.88 N ATOM 2116 CA THR A 150 -12.413 -8.036 -4.780 1.00 1.07 C ATOM 2117 C THR A 150 -12.750 -9.523 -4.681 1.00 1.33 C ATOM 2118 O THR A 150 -12.602 -10.139 -3.645 1.00 1.77 O ATOM 2119 CB THR A 150 -13.703 -7.214 -4.705 1.00 1.22 C ATOM 2120 OG1 THR A 150 -14.009 -6.937 -3.346 1.00 1.52 O ATOM 2121 CG2 THR A 150 -14.854 -7.996 -5.339 1.00 1.45 C ATOM 0 H THR A 150 -12.097 -8.295 -6.873 1.00 0.88 H new ATOM 0 HA THR A 150 -11.755 -7.756 -3.957 1.00 1.07 H new ATOM 0 HB THR A 150 -13.565 -6.278 -5.246 1.00 1.22 H new ATOM 0 HG1 THR A 150 -13.441 -7.485 -2.765 1.00 1.52 H new ATOM 0 HG21 THR A 150 -15.769 -7.406 -5.283 1.00 1.45 H new ATOM 0 HG22 THR A 150 -14.620 -8.205 -6.383 1.00 1.45 H new ATOM 0 HG23 THR A 150 -14.994 -8.935 -4.804 1.00 1.45 H new ATOM 2129 N SER A 151 -13.208 -10.100 -5.755 1.00 1.61 N ATOM 2130 CA SER A 151 -13.563 -11.546 -5.735 1.00 1.94 C ATOM 2131 C SER A 151 -14.289 -11.871 -4.427 1.00 2.45 C ATOM 2132 O SER A 151 -13.806 -12.629 -3.609 1.00 2.97 O ATOM 2133 CB SER A 151 -12.291 -12.388 -5.835 1.00 2.62 C ATOM 2134 OG SER A 151 -12.589 -13.615 -6.488 1.00 3.26 O ATOM 0 H SER A 151 -13.353 -9.631 -6.649 1.00 1.61 H new ATOM 0 HA SER A 151 -14.213 -11.773 -6.580 1.00 1.94 H new ATOM 0 HB2 SER A 151 -11.525 -11.845 -6.388 1.00 2.62 H new ATOM 0 HB3 SER A 151 -11.890 -12.581 -4.840 1.00 2.62 H new ATOM 0 HG SER A 151 -11.775 -14.156 -6.555 1.00 3.26 H new ATOM 2140 N ALA A 152 -15.446 -11.301 -4.223 1.00 2.95 N ATOM 2141 CA ALA A 152 -16.200 -11.576 -2.969 1.00 3.93 C ATOM 2142 C ALA A 152 -16.742 -13.007 -3.002 1.00 4.53 C ATOM 2143 O ALA A 152 -17.193 -13.486 -4.023 1.00 4.71 O ATOM 2144 CB ALA A 152 -17.366 -10.591 -2.847 1.00 4.41 C ATOM 0 H ALA A 152 -15.900 -10.657 -4.871 1.00 2.95 H new ATOM 0 HA ALA A 152 -15.535 -11.459 -2.113 1.00 3.93 H new ATOM 0 HB1 ALA A 152 -17.918 -10.792 -1.929 1.00 4.41 H new ATOM 0 HB2 ALA A 152 -16.980 -9.572 -2.822 1.00 4.41 H new ATOM 0 HB3 ALA A 152 -18.031 -10.707 -3.703 1.00 4.41 H new ATOM 2150 N THR A 153 -16.700 -13.693 -1.893 1.00 5.26 N ATOM 2151 CA THR A 153 -17.214 -15.091 -1.861 1.00 6.15 C ATOM 2152 C THR A 153 -17.998 -15.314 -0.567 1.00 7.05 C ATOM 2153 O THR A 153 -17.387 -15.703 0.415 1.00 7.50 O ATOM 2154 CB THR A 153 -16.039 -16.069 -1.922 1.00 6.60 C ATOM 2155 OG1 THR A 153 -15.151 -15.678 -2.959 1.00 6.26 O ATOM 2156 CG2 THR A 153 -16.560 -17.481 -2.199 1.00 7.57 C ATOM 2157 OXT THR A 153 -19.198 -15.091 -0.579 1.00 7.52 O ATOM 0 H THR A 153 -16.332 -13.346 -1.007 1.00 5.26 H new ATOM 0 HA THR A 153 -17.868 -15.258 -2.716 1.00 6.15 H new ATOM 0 HB THR A 153 -15.510 -16.060 -0.969 1.00 6.60 H new ATOM 0 HG1 THR A 153 -14.397 -16.303 -2.997 1.00 6.26 H new ATOM 0 HG21 THR A 153 -15.722 -18.176 -2.242 1.00 7.57 H new ATOM 0 HG22 THR A 153 -17.240 -17.781 -1.401 1.00 7.57 H new ATOM 0 HG23 THR A 153 -17.090 -17.493 -3.151 1.00 7.57 H new TER 2165 THR A 153