USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 919 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 87 THR OG1 : rot 130:sc= -0.0885 USER MOD Set 1.2: A 89 GLN : amide:sc= 0.0726 K(o=-0.016,f=2) USER MOD Set 2.1: A 65 LYS NZ :NH3+ -176:sc= 1.88 (180deg=0.227) USER MOD Set 2.2: A 67 TYR OH : rot 135:sc= 2.05 USER MOD Set 2.3: A 103 CYS SG : rot 180:sc= -1.22 USER MOD Set 3.1: A 53 SER OG : rot -160:sc= 0 USER MOD Set 3.2: A 66 HIS : no HE2:sc= -1.31 K(o=-1.3,f=-4.5!) USER MOD Set 4.1: A 43 SER OG : rot 180:sc= 0.665 USER MOD Set 4.2: A 45 SER OG : rot -21:sc= 0.755 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0705 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=0.000614 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -154:sc= 0.185 (180deg=-0.34) USER MOD Single : A 18 THR OG1 : rot -52:sc= 0.504 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00329) USER MOD Single : A 27 GLN : amide:sc= -0.661 X(o=-0.66,f=-0.46) USER MOD Single : A 32 MET CE :methyl -149:sc= -0.14 (180deg=-1.62) USER MOD Single : A 33 ASN : amide:sc= -0.51 K(o=-0.51,f=-3.4!) USER MOD Single : A 34 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0403) USER MOD Single : A 37 SER OG : rot 68:sc= 1.15 USER MOD Single : A 46 ASN : amide:sc= -8.06! C(o=-8.1!,f=-14!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -145:sc= -2.2! (180deg=-3.83!) USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.00708 USER MOD Single : A 59 THR OG1 : rot -23:sc= 0.559 USER MOD Single : A 60 GLN : amide:sc= -0.0208 K(o=-0.021,f=-0.84) USER MOD Single : A 68 LYS NZ :NH3+ -178:sc= 0.667 (180deg=0.664) USER MOD Single : A 71 SER OG : rot 140:sc= 0.315 USER MOD Single : A 74 ASN : amide:sc= -0.0335 K(o=-0.033,f=-3.8!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0.211 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.591 X(o=-0.59,f=-0.95) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 95 TYR OH : rot 151:sc= -0.143 USER MOD Single : A 96 SER OG : rot 35:sc= 1.32 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 145:sc= 1.05 (180deg=-0.4) USER MOD Single : A 104 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.64) USER MOD Single : A 105 LYS NZ :NH3+ -177:sc= 1.32 (180deg=1.19) USER MOD Single : A 107 THR OG1 : rot -150:sc= -0.197 USER MOD Single : A 110 CYS SG : rot -130:sc= 0.326 USER MOD Single : A 112 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.05) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.290 9.725 -18.352 1.00 0.00 N ATOM 2 CA GLY A 1 -20.426 10.669 -17.649 1.00 0.00 C ATOM 3 C GLY A 1 -20.902 12.111 -17.797 1.00 0.00 C ATOM 4 O GLY A 1 -21.815 12.406 -18.557 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.713 9.066 -17.668 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.045 10.245 -18.844 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.729 9.191 -19.046 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.390 10.407 -16.591 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.410 10.583 -18.033 1.00 0.00 H new ATOM 10 N SER A 2 -20.220 12.973 -17.019 1.00 0.00 N ATOM 11 CA SER A 2 -20.532 14.399 -16.997 1.00 0.00 C ATOM 12 C SER A 2 -19.563 15.102 -16.040 1.00 0.00 C ATOM 13 O SER A 2 -18.845 16.031 -16.382 1.00 0.00 O ATOM 14 CB SER A 2 -21.980 14.602 -16.451 1.00 0.00 C ATOM 15 OG SER A 2 -22.362 13.951 -15.170 1.00 0.00 O ATOM 0 H SER A 2 -19.454 12.700 -16.403 1.00 0.00 H new ATOM 0 HA SER A 2 -20.446 14.807 -18.004 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.142 15.674 -16.337 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.673 14.254 -17.217 1.00 0.00 H new ATOM 0 HG SER A 2 -23.293 14.169 -14.957 1.00 0.00 H new ATOM 21 N VAL A 3 -19.632 14.551 -14.813 1.00 0.00 N ATOM 22 CA VAL A 3 -18.863 14.981 -13.660 1.00 0.00 C ATOM 23 C VAL A 3 -19.089 13.977 -12.514 1.00 0.00 C ATOM 24 O VAL A 3 -18.145 13.454 -11.939 1.00 0.00 O ATOM 25 CB VAL A 3 -19.195 16.440 -13.263 1.00 0.00 C ATOM 26 CG1 VAL A 3 -20.699 16.762 -13.201 1.00 0.00 C ATOM 27 CG2 VAL A 3 -18.498 16.848 -11.956 1.00 0.00 C ATOM 0 H VAL A 3 -20.251 13.767 -14.604 1.00 0.00 H new ATOM 0 HA VAL A 3 -17.801 14.988 -13.905 1.00 0.00 H new ATOM 0 HB VAL A 3 -18.797 17.042 -14.080 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -20.836 17.805 -12.915 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -21.148 16.592 -14.179 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -21.179 16.118 -12.464 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -18.757 17.878 -11.712 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -18.824 16.191 -11.149 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -17.418 16.764 -12.078 1.00 0.00 H new ATOM 37 N ALA A 4 -20.400 13.743 -12.257 1.00 0.00 N ATOM 38 CA ALA A 4 -20.888 12.835 -11.219 1.00 0.00 C ATOM 39 C ALA A 4 -20.715 13.485 -9.823 1.00 0.00 C ATOM 40 O ALA A 4 -19.795 14.260 -9.593 1.00 0.00 O ATOM 41 CB ALA A 4 -20.234 11.447 -11.328 1.00 0.00 C ATOM 0 H ALA A 4 -21.151 14.193 -12.781 1.00 0.00 H new ATOM 0 HA ALA A 4 -21.955 12.666 -11.367 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -20.621 10.800 -10.541 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -20.463 11.012 -12.301 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -19.154 11.544 -11.220 1.00 0.00 H new ATOM 47 N PRO A 5 -21.651 13.148 -8.882 1.00 0.00 N ATOM 48 CA PRO A 5 -21.617 13.697 -7.521 1.00 0.00 C ATOM 49 C PRO A 5 -20.531 13.079 -6.613 1.00 0.00 C ATOM 50 O PRO A 5 -20.385 13.461 -5.458 1.00 0.00 O ATOM 51 CB PRO A 5 -23.012 13.365 -6.970 1.00 0.00 C ATOM 52 CG PRO A 5 -23.440 12.110 -7.734 1.00 0.00 C ATOM 53 CD PRO A 5 -22.792 12.257 -9.109 1.00 0.00 C ATOM 0 HA PRO A 5 -21.372 14.759 -7.542 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -22.981 13.184 -5.896 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -23.709 14.187 -7.135 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -23.101 11.205 -7.231 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -24.525 12.044 -7.812 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -22.471 11.292 -9.502 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -23.488 12.680 -9.833 1.00 0.00 H new ATOM 61 N VAL A 6 -19.795 12.110 -7.196 1.00 0.00 N ATOM 62 CA VAL A 6 -18.727 11.424 -6.482 1.00 0.00 C ATOM 63 C VAL A 6 -17.674 10.980 -7.507 1.00 0.00 C ATOM 64 O VAL A 6 -17.984 10.640 -8.644 1.00 0.00 O ATOM 65 CB VAL A 6 -19.295 10.235 -5.678 1.00 0.00 C ATOM 66 CG1 VAL A 6 -19.942 9.157 -6.565 1.00 0.00 C ATOM 67 CG2 VAL A 6 -18.232 9.611 -4.760 1.00 0.00 C ATOM 0 H VAL A 6 -19.929 11.794 -8.157 1.00 0.00 H new ATOM 0 HA VAL A 6 -18.256 12.091 -5.760 1.00 0.00 H new ATOM 0 HB VAL A 6 -20.088 10.652 -5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -20.321 8.350 -5.938 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -20.765 9.596 -7.129 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -19.199 8.761 -7.257 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -18.670 8.777 -4.211 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -17.398 9.251 -5.362 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -17.874 10.362 -4.055 1.00 0.00 H new ATOM 77 N GLU A 7 -16.418 11.018 -7.014 1.00 0.00 N ATOM 78 CA GLU A 7 -15.254 10.633 -7.806 1.00 0.00 C ATOM 79 C GLU A 7 -15.030 9.106 -7.729 1.00 0.00 C ATOM 80 O GLU A 7 -15.971 8.319 -7.745 1.00 0.00 O ATOM 81 CB GLU A 7 -14.034 11.440 -7.303 1.00 0.00 C ATOM 82 CG GLU A 7 -14.299 12.950 -7.158 1.00 0.00 C ATOM 83 CD GLU A 7 -14.851 13.569 -8.455 1.00 0.00 C ATOM 84 OE1 GLU A 7 -14.096 13.684 -9.419 1.00 0.00 O ATOM 85 OE2 GLU A 7 -16.027 13.928 -8.482 1.00 0.00 O ATOM 0 H GLU A 7 -16.194 11.315 -6.064 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.410 10.866 -8.859 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.721 11.042 -6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.204 11.292 -7.993 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.008 13.117 -6.347 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.374 13.455 -6.881 1.00 0.00 H new ATOM 92 N THR A 8 -13.738 8.736 -7.633 1.00 0.00 N ATOM 93 CA THR A 8 -13.349 7.334 -7.541 1.00 0.00 C ATOM 94 C THR A 8 -13.547 6.783 -6.116 1.00 0.00 C ATOM 95 O THR A 8 -13.160 7.394 -5.127 1.00 0.00 O ATOM 96 CB THR A 8 -11.844 7.207 -7.908 1.00 0.00 C ATOM 97 OG1 THR A 8 -10.857 7.754 -6.975 1.00 0.00 O ATOM 98 CG2 THR A 8 -11.622 7.690 -9.366 1.00 0.00 C ATOM 0 H THR A 8 -12.957 9.392 -7.618 1.00 0.00 H new ATOM 0 HA THR A 8 -13.976 6.763 -8.226 1.00 0.00 H new ATOM 0 HB THR A 8 -11.634 6.141 -7.816 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.955 7.604 -7.328 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.566 7.600 -9.622 1.00 0.00 H new ATOM 0 HG22 THR A 8 -12.214 7.077 -10.046 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.930 8.732 -9.455 1.00 0.00 H new ATOM 106 N LEU A 9 -14.192 5.602 -6.099 1.00 0.00 N ATOM 107 CA LEU A 9 -14.456 4.887 -4.855 1.00 0.00 C ATOM 108 C LEU A 9 -13.281 3.915 -4.653 1.00 0.00 C ATOM 109 O LEU A 9 -12.333 3.903 -5.429 1.00 0.00 O ATOM 110 CB LEU A 9 -15.807 4.152 -4.983 1.00 0.00 C ATOM 111 CG LEU A 9 -17.041 5.043 -4.737 1.00 0.00 C ATOM 112 CD1 LEU A 9 -17.138 6.236 -5.698 1.00 0.00 C ATOM 113 CD2 LEU A 9 -18.320 4.199 -4.814 1.00 0.00 C ATOM 0 H LEU A 9 -14.536 5.130 -6.936 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.530 5.550 -3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -15.879 3.720 -5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -15.825 3.324 -4.275 1.00 0.00 H new ATOM 0 HG LEU A 9 -16.926 5.462 -3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -18.030 6.818 -5.466 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -16.255 6.865 -5.587 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -17.198 5.873 -6.724 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -19.187 4.836 -4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -18.397 3.744 -5.802 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -18.286 3.416 -4.056 1.00 0.00 H new ATOM 125 N GLU A 10 -13.400 3.082 -3.599 1.00 0.00 N ATOM 126 CA GLU A 10 -12.356 2.105 -3.295 1.00 0.00 C ATOM 127 C GLU A 10 -12.552 0.817 -4.133 1.00 0.00 C ATOM 128 O GLU A 10 -12.048 -0.244 -3.789 1.00 0.00 O ATOM 129 CB GLU A 10 -12.345 1.797 -1.786 1.00 0.00 C ATOM 130 CG GLU A 10 -12.048 3.024 -0.901 1.00 0.00 C ATOM 131 CD GLU A 10 -13.246 3.987 -0.788 1.00 0.00 C ATOM 132 OE1 GLU A 10 -14.291 3.570 -0.290 1.00 0.00 O ATOM 133 OE2 GLU A 10 -13.125 5.142 -1.196 1.00 0.00 O ATOM 0 H GLU A 10 -14.195 3.071 -2.960 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.387 2.527 -3.563 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.312 1.382 -1.503 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.598 1.028 -1.587 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.765 2.686 0.096 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.193 3.562 -1.310 1.00 0.00 H new ATOM 140 N VAL A 11 -13.304 0.972 -5.250 1.00 0.00 N ATOM 141 CA VAL A 11 -13.596 -0.112 -6.183 1.00 0.00 C ATOM 142 C VAL A 11 -12.386 -0.371 -7.101 1.00 0.00 C ATOM 143 O VAL A 11 -12.041 -1.509 -7.396 1.00 0.00 O ATOM 144 CB VAL A 11 -14.871 0.235 -6.982 1.00 0.00 C ATOM 145 CG1 VAL A 11 -14.776 1.555 -7.766 1.00 0.00 C ATOM 146 CG2 VAL A 11 -15.274 -0.908 -7.925 1.00 0.00 C ATOM 0 H VAL A 11 -13.721 1.863 -5.519 1.00 0.00 H new ATOM 0 HA VAL A 11 -13.781 -1.036 -5.635 1.00 0.00 H new ATOM 0 HB VAL A 11 -15.647 0.373 -6.229 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -15.710 1.729 -8.301 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.596 2.377 -7.074 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -13.955 1.496 -8.480 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -16.175 -0.629 -8.471 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -14.466 -1.099 -8.632 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -15.467 -1.809 -7.343 1.00 0.00 H new ATOM 156 N GLU A 12 -11.774 0.765 -7.514 1.00 0.00 N ATOM 157 CA GLU A 12 -10.598 0.749 -8.375 1.00 0.00 C ATOM 158 C GLU A 12 -9.432 0.157 -7.582 1.00 0.00 C ATOM 159 O GLU A 12 -9.091 0.601 -6.495 1.00 0.00 O ATOM 160 CB GLU A 12 -10.262 2.168 -8.860 1.00 0.00 C ATOM 161 CG GLU A 12 -11.151 2.614 -10.030 1.00 0.00 C ATOM 162 CD GLU A 12 -10.888 1.762 -11.289 1.00 0.00 C ATOM 163 OE1 GLU A 12 -9.780 1.823 -11.824 1.00 0.00 O ATOM 164 OE2 GLU A 12 -11.791 1.043 -11.713 1.00 0.00 O ATOM 0 H GLU A 12 -12.088 1.701 -7.256 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.792 0.140 -9.258 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.377 2.868 -8.033 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.217 2.206 -9.167 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.200 2.532 -9.745 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.963 3.664 -10.253 1.00 0.00 H new ATOM 171 N LYS A 13 -8.860 -0.877 -8.221 1.00 0.00 N ATOM 172 CA LYS A 13 -7.768 -1.623 -7.628 1.00 0.00 C ATOM 173 C LYS A 13 -6.462 -0.846 -7.623 1.00 0.00 C ATOM 174 O LYS A 13 -5.731 -0.953 -6.645 1.00 0.00 O ATOM 175 CB LYS A 13 -7.563 -2.943 -8.371 1.00 0.00 C ATOM 176 CG LYS A 13 -8.622 -3.989 -8.020 1.00 0.00 C ATOM 177 CD LYS A 13 -8.372 -4.612 -6.637 1.00 0.00 C ATOM 178 CE LYS A 13 -9.451 -5.612 -6.236 1.00 0.00 C ATOM 179 NZ LYS A 13 -10.795 -5.042 -6.319 1.00 0.00 N ATOM 0 H LYS A 13 -9.143 -1.205 -9.144 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.047 -1.812 -6.591 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.583 -2.758 -9.445 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.575 -3.339 -8.135 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.609 -3.527 -8.038 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.623 -4.773 -8.777 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.403 -5.111 -6.638 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.322 -3.820 -5.890 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.390 -6.488 -6.882 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.266 -5.954 -5.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.425 -5.541 -5.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.760 -4.033 -6.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.157 -5.145 -7.289 1.00 0.00 H new ATOM 193 N TRP A 14 -6.178 -0.067 -8.706 1.00 0.00 N ATOM 194 CA TRP A 14 -4.882 0.619 -8.679 1.00 0.00 C ATOM 195 C TRP A 14 -4.748 1.553 -7.476 1.00 0.00 C ATOM 196 O TRP A 14 -3.688 1.604 -6.872 1.00 0.00 O ATOM 197 CB TRP A 14 -4.330 1.177 -10.010 1.00 0.00 C ATOM 198 CG TRP A 14 -4.658 2.594 -10.453 1.00 0.00 C ATOM 199 CD1 TRP A 14 -5.385 2.920 -11.602 1.00 0.00 C ATOM 200 CD2 TRP A 14 -4.128 3.848 -9.947 1.00 0.00 C ATOM 201 NE1 TRP A 14 -5.308 4.259 -11.822 1.00 0.00 N ATOM 202 CE2 TRP A 14 -4.543 4.873 -10.835 1.00 0.00 C ATOM 203 CE3 TRP A 14 -3.353 4.172 -8.865 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.164 6.176 -10.607 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -2.983 5.493 -8.627 1.00 0.00 C ATOM 206 CH2 TRP A 14 -3.390 6.496 -9.495 1.00 0.00 C ATOM 0 H TRP A 14 -6.769 0.085 -9.524 1.00 0.00 H new ATOM 0 HA TRP A 14 -4.173 -0.195 -8.529 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.244 1.098 -9.965 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -4.665 0.508 -10.802 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -5.924 2.217 -12.219 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -5.749 4.746 -12.602 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -3.026 3.395 -8.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.468 6.953 -11.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.379 5.737 -7.766 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.107 7.522 -9.309 1.00 0.00 H new ATOM 217 N PHE A 15 -5.863 2.236 -7.130 1.00 0.00 N ATOM 218 CA PHE A 15 -5.810 3.156 -5.998 1.00 0.00 C ATOM 219 C PHE A 15 -6.617 2.637 -4.793 1.00 0.00 C ATOM 220 O PHE A 15 -7.712 3.093 -4.485 1.00 0.00 O ATOM 221 CB PHE A 15 -6.217 4.563 -6.457 1.00 0.00 C ATOM 222 CG PHE A 15 -5.694 5.622 -5.526 1.00 0.00 C ATOM 223 CD1 PHE A 15 -4.322 5.744 -5.297 1.00 0.00 C ATOM 224 CD2 PHE A 15 -6.571 6.488 -4.880 1.00 0.00 C ATOM 225 CE1 PHE A 15 -3.845 6.717 -4.430 1.00 0.00 C ATOM 226 CE2 PHE A 15 -6.091 7.462 -4.015 1.00 0.00 C ATOM 227 CZ PHE A 15 -4.727 7.577 -3.791 1.00 0.00 C ATOM 0 H PHE A 15 -6.766 2.167 -7.600 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.784 3.219 -5.635 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -5.837 4.742 -7.463 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.304 4.629 -6.510 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.631 5.080 -5.795 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.634 6.402 -5.053 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.783 6.805 -4.252 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.779 8.129 -3.517 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.352 8.335 -3.120 1.00 0.00 H new ATOM 237 N PHE A 16 -5.959 1.656 -4.132 1.00 0.00 N ATOM 238 CA PHE A 16 -6.468 1.011 -2.922 1.00 0.00 C ATOM 239 C PHE A 16 -5.939 1.814 -1.719 1.00 0.00 C ATOM 240 O PHE A 16 -4.771 2.177 -1.687 1.00 0.00 O ATOM 241 CB PHE A 16 -6.011 -0.482 -2.901 1.00 0.00 C ATOM 242 CG PHE A 16 -7.144 -1.464 -3.093 1.00 0.00 C ATOM 243 CD1 PHE A 16 -8.271 -1.138 -3.849 1.00 0.00 C ATOM 244 CD2 PHE A 16 -7.085 -2.720 -2.492 1.00 0.00 C ATOM 245 CE1 PHE A 16 -9.334 -2.021 -3.973 1.00 0.00 C ATOM 246 CE2 PHE A 16 -8.157 -3.601 -2.613 1.00 0.00 C ATOM 247 CZ PHE A 16 -9.278 -3.254 -3.347 1.00 0.00 C ATOM 0 H PHE A 16 -5.054 1.295 -4.434 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.557 1.004 -2.886 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -5.270 -0.637 -3.685 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.519 -0.689 -1.951 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -8.316 -0.181 -4.347 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.208 -3.010 -1.932 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -10.201 -1.747 -4.555 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -8.113 -4.565 -2.129 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.106 -3.943 -3.431 1.00 0.00 H new ATOM 257 N ARG A 17 -6.866 2.081 -0.762 1.00 0.00 N ATOM 258 CA ARG A 17 -6.560 2.845 0.456 1.00 0.00 C ATOM 259 C ARG A 17 -5.217 2.442 1.078 1.00 0.00 C ATOM 260 O ARG A 17 -4.221 3.132 0.945 1.00 0.00 O ATOM 261 CB ARG A 17 -7.692 2.677 1.489 1.00 0.00 C ATOM 262 CG ARG A 17 -8.776 3.739 1.338 1.00 0.00 C ATOM 263 CD ARG A 17 -9.912 3.527 2.337 1.00 0.00 C ATOM 264 NE ARG A 17 -10.896 4.597 2.177 1.00 0.00 N ATOM 265 CZ ARG A 17 -12.224 4.450 2.371 1.00 0.00 C ATOM 266 NH1 ARG A 17 -12.751 3.290 2.746 1.00 0.00 N ATOM 267 NH2 ARG A 17 -13.024 5.488 2.173 1.00 0.00 N ATOM 0 H ARG A 17 -7.836 1.771 -0.821 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.481 3.893 0.166 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.137 1.688 1.379 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.274 2.728 2.494 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.341 4.728 1.485 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.173 3.713 0.323 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.381 2.557 2.173 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.522 3.524 3.355 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.556 5.518 1.900 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.149 2.481 2.895 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.758 3.209 2.885 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.634 6.383 1.878 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.029 5.392 2.316 1.00 0.00 H new ATOM 281 N THR A 18 -5.288 1.294 1.767 1.00 0.00 N ATOM 282 CA THR A 18 -4.149 0.699 2.439 1.00 0.00 C ATOM 283 C THR A 18 -4.572 -0.663 2.986 1.00 0.00 C ATOM 284 O THR A 18 -4.854 -0.831 4.167 1.00 0.00 O ATOM 285 CB THR A 18 -3.594 1.501 3.662 1.00 0.00 C ATOM 286 OG1 THR A 18 -2.785 0.753 4.630 1.00 0.00 O ATOM 287 CG2 THR A 18 -4.704 2.367 4.311 1.00 0.00 C ATOM 0 H THR A 18 -6.149 0.757 1.868 1.00 0.00 H new ATOM 0 HA THR A 18 -3.362 0.664 1.686 1.00 0.00 H new ATOM 0 HB THR A 18 -2.846 2.169 3.235 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.274 -0.047 4.916 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.290 2.914 5.158 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.090 3.074 3.577 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.513 1.723 4.655 1.00 0.00 H new ATOM 295 N ILE A 19 -4.604 -1.620 2.049 1.00 0.00 N ATOM 296 CA ILE A 19 -4.939 -2.983 2.430 1.00 0.00 C ATOM 297 C ILE A 19 -3.676 -3.552 3.096 1.00 0.00 C ATOM 298 O ILE A 19 -2.590 -3.000 2.950 1.00 0.00 O ATOM 299 CB ILE A 19 -5.277 -3.744 1.143 1.00 0.00 C ATOM 300 CG1 ILE A 19 -6.175 -4.957 1.359 1.00 0.00 C ATOM 301 CG2 ILE A 19 -4.050 -4.067 0.300 1.00 0.00 C ATOM 302 CD1 ILE A 19 -6.356 -5.739 0.047 1.00 0.00 C ATOM 0 H ILE A 19 -4.408 -1.477 1.058 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.787 -3.055 3.111 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.875 -3.045 0.558 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.741 -5.607 2.119 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.147 -4.635 1.733 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.356 -4.606 -0.597 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.551 -3.141 0.014 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.364 -4.686 0.878 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.000 -6.601 0.223 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.812 -5.092 -0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.384 -6.079 -0.311 1.00 0.00 H new ATOM 314 N SER A 20 -3.850 -4.675 3.813 1.00 0.00 N ATOM 315 CA SER A 20 -2.654 -5.246 4.432 1.00 0.00 C ATOM 316 C SER A 20 -1.703 -5.724 3.325 1.00 0.00 C ATOM 317 O SER A 20 -2.103 -6.045 2.216 1.00 0.00 O ATOM 318 CB SER A 20 -2.992 -6.461 5.340 1.00 0.00 C ATOM 319 OG SER A 20 -1.943 -7.463 5.671 1.00 0.00 O ATOM 0 H SER A 20 -4.730 -5.168 3.968 1.00 0.00 H new ATOM 0 HA SER A 20 -2.196 -4.472 5.048 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.369 -6.065 6.283 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.815 -6.998 4.868 1.00 0.00 H new ATOM 0 HG SER A 20 -2.324 -8.156 6.250 1.00 0.00 H new ATOM 325 N ARG A 21 -0.419 -5.750 3.708 1.00 0.00 N ATOM 326 CA ARG A 21 0.644 -6.175 2.802 1.00 0.00 C ATOM 327 C ARG A 21 0.299 -7.535 2.163 1.00 0.00 C ATOM 328 O ARG A 21 0.315 -7.687 0.949 1.00 0.00 O ATOM 329 CB ARG A 21 1.992 -6.233 3.537 1.00 0.00 C ATOM 330 CG ARG A 21 3.164 -6.475 2.580 1.00 0.00 C ATOM 331 CD ARG A 21 4.456 -6.804 3.322 1.00 0.00 C ATOM 332 NE ARG A 21 5.454 -7.228 2.351 1.00 0.00 N ATOM 333 CZ ARG A 21 6.713 -7.550 2.700 1.00 0.00 C ATOM 334 NH1 ARG A 21 7.101 -7.502 3.967 1.00 0.00 N ATOM 335 NH2 ARG A 21 7.571 -7.922 1.759 1.00 0.00 N ATOM 0 H ARG A 21 -0.097 -5.481 4.638 1.00 0.00 H new ATOM 0 HA ARG A 21 0.731 -5.440 2.002 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.151 -5.298 4.074 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.964 -7.028 4.282 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.916 -7.294 1.905 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.317 -5.589 1.964 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.809 -5.931 3.871 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.282 -7.592 4.054 1.00 0.00 H new ATOM 0 HE ARG A 21 5.189 -7.283 1.368 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.442 -7.218 4.692 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.059 -7.749 4.217 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.273 -7.961 0.784 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.528 -8.169 2.010 1.00 0.00 H new ATOM 349 N LYS A 22 -0.051 -8.483 3.062 1.00 0.00 N ATOM 350 CA LYS A 22 -0.409 -9.823 2.607 1.00 0.00 C ATOM 351 C LYS A 22 -1.674 -9.857 1.757 1.00 0.00 C ATOM 352 O LYS A 22 -1.842 -10.726 0.913 1.00 0.00 O ATOM 353 CB LYS A 22 -0.583 -10.799 3.784 1.00 0.00 C ATOM 354 CG LYS A 22 -1.986 -10.942 4.420 1.00 0.00 C ATOM 355 CD LYS A 22 -2.742 -12.141 3.824 1.00 0.00 C ATOM 356 CE LYS A 22 -2.315 -13.491 4.414 1.00 0.00 C ATOM 357 NZ LYS A 22 -2.828 -13.693 5.766 1.00 0.00 N ATOM 0 H LYS A 22 -0.090 -8.342 4.072 1.00 0.00 H new ATOM 0 HA LYS A 22 0.429 -10.137 1.984 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.270 -11.787 3.445 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.109 -10.497 4.570 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.889 -11.068 5.498 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.558 -10.029 4.256 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.811 -12.004 3.988 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.585 -12.159 2.746 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.670 -14.295 3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.227 -13.551 4.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.542 -14.632 6.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.442 -12.962 6.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.866 -13.629 5.757 1.00 0.00 H new ATOM 371 N ASP A 23 -2.551 -8.869 2.031 1.00 0.00 N ATOM 372 CA ASP A 23 -3.821 -8.849 1.343 1.00 0.00 C ATOM 373 C ASP A 23 -3.663 -8.457 -0.118 1.00 0.00 C ATOM 374 O ASP A 23 -4.150 -9.110 -1.023 1.00 0.00 O ATOM 375 CB ASP A 23 -4.818 -7.915 2.045 1.00 0.00 C ATOM 376 CG ASP A 23 -5.429 -8.509 3.328 1.00 0.00 C ATOM 377 OD1 ASP A 23 -5.242 -9.695 3.603 1.00 0.00 O ATOM 378 OD2 ASP A 23 -6.115 -7.772 4.032 1.00 0.00 O ATOM 0 H ASP A 23 -2.398 -8.112 2.698 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.219 -9.863 1.375 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.314 -6.981 2.293 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.622 -7.669 1.351 1.00 0.00 H new ATOM 383 N ALA A 24 -2.942 -7.355 -0.281 1.00 0.00 N ATOM 384 CA ALA A 24 -2.643 -6.820 -1.604 1.00 0.00 C ATOM 385 C ALA A 24 -1.892 -7.880 -2.434 1.00 0.00 C ATOM 386 O ALA A 24 -2.106 -8.057 -3.628 1.00 0.00 O ATOM 387 CB ALA A 24 -1.847 -5.534 -1.395 1.00 0.00 C ATOM 0 H ALA A 24 -2.552 -6.812 0.489 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.543 -6.582 -2.171 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.600 -5.097 -2.363 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.443 -4.826 -0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.928 -5.759 -0.854 1.00 0.00 H new ATOM 393 N GLU A 25 -1.037 -8.608 -1.693 1.00 0.00 N ATOM 394 CA GLU A 25 -0.276 -9.678 -2.302 1.00 0.00 C ATOM 395 C GLU A 25 -1.230 -10.837 -2.664 1.00 0.00 C ATOM 396 O GLU A 25 -1.035 -11.487 -3.675 1.00 0.00 O ATOM 397 CB GLU A 25 0.846 -10.140 -1.352 1.00 0.00 C ATOM 398 CG GLU A 25 2.016 -9.139 -1.258 1.00 0.00 C ATOM 399 CD GLU A 25 3.100 -9.609 -0.262 1.00 0.00 C ATOM 400 OE1 GLU A 25 2.809 -9.706 0.932 1.00 0.00 O ATOM 401 OE2 GLU A 25 4.226 -9.871 -0.684 1.00 0.00 O ATOM 0 H GLU A 25 -0.868 -8.469 -0.697 1.00 0.00 H new ATOM 0 HA GLU A 25 0.198 -9.323 -3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.429 -10.296 -0.357 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.227 -11.103 -1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.462 -9.008 -2.244 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.636 -8.165 -0.948 1.00 0.00 H new ATOM 408 N ARG A 26 -2.297 -11.036 -1.848 1.00 0.00 N ATOM 409 CA ARG A 26 -3.221 -12.146 -2.110 1.00 0.00 C ATOM 410 C ARG A 26 -3.992 -11.914 -3.427 1.00 0.00 C ATOM 411 O ARG A 26 -4.303 -12.835 -4.172 1.00 0.00 O ATOM 412 CB ARG A 26 -4.237 -12.341 -0.947 1.00 0.00 C ATOM 413 CG ARG A 26 -5.598 -11.590 -1.007 1.00 0.00 C ATOM 414 CD ARG A 26 -6.194 -11.067 0.306 1.00 0.00 C ATOM 415 NE ARG A 26 -7.645 -11.212 0.240 1.00 0.00 N ATOM 416 CZ ARG A 26 -8.478 -10.766 1.201 1.00 0.00 C ATOM 417 NH1 ARG A 26 -8.012 -10.181 2.296 1.00 0.00 N ATOM 418 NH2 ARG A 26 -9.787 -10.920 1.054 1.00 0.00 N ATOM 0 H ARG A 26 -2.525 -10.462 -1.036 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.617 -13.049 -2.194 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.451 -13.407 -0.871 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.740 -12.049 -0.022 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.481 -10.742 -1.681 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.328 -12.260 -1.461 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.795 -11.625 1.153 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.923 -10.022 0.456 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.049 -11.674 -0.575 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.007 -10.062 2.422 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.659 -9.850 3.012 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.157 -11.373 0.218 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.424 -10.585 1.777 1.00 0.00 H new ATOM 432 N GLN A 27 -4.259 -10.603 -3.635 1.00 0.00 N ATOM 433 CA GLN A 27 -5.026 -10.139 -4.787 1.00 0.00 C ATOM 434 C GLN A 27 -4.259 -10.273 -6.102 1.00 0.00 C ATOM 435 O GLN A 27 -4.802 -10.729 -7.102 1.00 0.00 O ATOM 436 CB GLN A 27 -5.457 -8.676 -4.597 1.00 0.00 C ATOM 437 CG GLN A 27 -6.378 -8.478 -3.383 1.00 0.00 C ATOM 438 CD GLN A 27 -6.926 -7.048 -3.303 1.00 0.00 C ATOM 439 OE1 GLN A 27 -8.125 -6.826 -3.209 1.00 0.00 O ATOM 440 NE2 GLN A 27 -5.981 -6.099 -3.327 1.00 0.00 N ATOM 0 H GLN A 27 -3.949 -9.857 -3.012 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.904 -10.781 -4.849 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.570 -8.053 -4.479 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.970 -8.334 -5.496 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.209 -9.182 -3.440 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.828 -8.707 -2.470 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.998 -6.360 -3.408 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.244 -5.116 -3.265 1.00 0.00 H new ATOM 449 N LEU A 28 -2.975 -9.853 -6.044 1.00 0.00 N ATOM 450 CA LEU A 28 -2.178 -9.918 -7.257 1.00 0.00 C ATOM 451 C LEU A 28 -1.735 -11.349 -7.561 1.00 0.00 C ATOM 452 O LEU A 28 -1.723 -11.739 -8.717 1.00 0.00 O ATOM 453 CB LEU A 28 -1.093 -8.846 -7.216 1.00 0.00 C ATOM 454 CG LEU A 28 -1.733 -7.468 -7.190 1.00 0.00 C ATOM 455 CD1 LEU A 28 -0.623 -6.451 -7.017 1.00 0.00 C ATOM 456 CD2 LEU A 28 -2.507 -7.241 -8.482 1.00 0.00 C ATOM 0 H LEU A 28 -2.504 -9.488 -5.216 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.776 -9.668 -8.133 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.467 -8.983 -6.335 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.443 -8.939 -8.086 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.441 -7.373 -6.366 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.049 -5.448 -6.994 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.096 -6.643 -6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.076 -6.530 -7.850 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.966 -6.252 -8.462 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.826 -7.308 -9.331 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.284 -8.000 -8.579 1.00 0.00 H new ATOM 468 N LEU A 29 -1.442 -12.122 -6.487 1.00 0.00 N ATOM 469 CA LEU A 29 -1.048 -13.521 -6.632 1.00 0.00 C ATOM 470 C LEU A 29 -2.228 -14.385 -7.121 1.00 0.00 C ATOM 471 O LEU A 29 -2.036 -15.524 -7.526 1.00 0.00 O ATOM 472 CB LEU A 29 -0.528 -14.038 -5.291 1.00 0.00 C ATOM 473 CG LEU A 29 0.797 -13.376 -4.887 1.00 0.00 C ATOM 474 CD1 LEU A 29 1.060 -13.602 -3.402 1.00 0.00 C ATOM 475 CD2 LEU A 29 1.952 -13.923 -5.728 1.00 0.00 C ATOM 0 H LEU A 29 -1.474 -11.792 -5.523 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.259 -13.588 -7.381 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.274 -13.853 -4.519 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.390 -15.118 -5.349 1.00 0.00 H new ATOM 0 HG LEU A 29 0.723 -12.304 -5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.002 -13.129 -3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.249 -13.167 -2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.118 -14.672 -3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.882 -13.441 -5.426 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.035 -14.999 -5.576 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.763 -13.719 -6.782 1.00 0.00 H new ATOM 487 N ALA A 30 -3.445 -13.795 -7.068 1.00 0.00 N ATOM 488 CA ALA A 30 -4.631 -14.500 -7.531 1.00 0.00 C ATOM 489 C ALA A 30 -4.479 -14.826 -9.033 1.00 0.00 C ATOM 490 O ALA A 30 -3.871 -14.075 -9.787 1.00 0.00 O ATOM 491 CB ALA A 30 -5.863 -13.613 -7.320 1.00 0.00 C ATOM 0 H ALA A 30 -3.615 -12.853 -6.715 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.750 -15.426 -6.969 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.753 -14.138 -7.666 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.967 -13.381 -6.260 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.746 -12.688 -7.884 1.00 0.00 H new ATOM 497 N PRO A 31 -5.070 -15.978 -9.447 1.00 0.00 N ATOM 498 CA PRO A 31 -5.013 -16.429 -10.837 1.00 0.00 C ATOM 499 C PRO A 31 -5.810 -15.572 -11.838 1.00 0.00 C ATOM 500 O PRO A 31 -5.877 -15.883 -13.020 1.00 0.00 O ATOM 501 CB PRO A 31 -5.548 -17.867 -10.782 1.00 0.00 C ATOM 502 CG PRO A 31 -6.413 -17.901 -9.524 1.00 0.00 C ATOM 503 CD PRO A 31 -5.761 -16.916 -8.570 1.00 0.00 C ATOM 0 HA PRO A 31 -3.994 -16.348 -11.216 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.130 -18.109 -11.671 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.736 -18.592 -10.726 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.441 -17.615 -9.745 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.446 -18.903 -9.095 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.502 -16.411 -7.950 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.067 -17.415 -7.894 1.00 0.00 H new ATOM 511 N MET A 32 -6.399 -14.482 -11.302 1.00 0.00 N ATOM 512 CA MET A 32 -7.177 -13.547 -12.082 1.00 0.00 C ATOM 513 C MET A 32 -6.340 -12.871 -13.188 1.00 0.00 C ATOM 514 O MET A 32 -6.755 -12.794 -14.337 1.00 0.00 O ATOM 515 CB MET A 32 -7.715 -12.511 -11.087 1.00 0.00 C ATOM 516 CG MET A 32 -9.078 -12.877 -10.487 1.00 0.00 C ATOM 517 SD MET A 32 -8.936 -13.527 -8.817 1.00 0.00 S ATOM 518 CE MET A 32 -8.824 -11.957 -7.934 1.00 0.00 C ATOM 0 H MET A 32 -6.337 -14.242 -10.313 1.00 0.00 H new ATOM 0 HA MET A 32 -7.984 -14.062 -12.603 1.00 0.00 H new ATOM 0 HB2 MET A 32 -6.994 -12.389 -10.279 1.00 0.00 H new ATOM 0 HB3 MET A 32 -7.797 -11.547 -11.589 1.00 0.00 H new ATOM 0 HG2 MET A 32 -9.717 -11.994 -10.478 1.00 0.00 H new ATOM 0 HG3 MET A 32 -9.565 -13.617 -11.122 1.00 0.00 H new ATOM 0 HE1 MET A 32 -8.212 -12.085 -7.041 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.369 -11.207 -8.581 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.823 -11.630 -7.646 1.00 0.00 H new ATOM 528 N ASN A 33 -5.146 -12.403 -12.756 1.00 0.00 N ATOM 529 CA ASN A 33 -4.222 -11.703 -13.659 1.00 0.00 C ATOM 530 C ASN A 33 -2.788 -12.253 -13.534 1.00 0.00 C ATOM 531 O ASN A 33 -2.480 -13.138 -12.744 1.00 0.00 O ATOM 532 CB ASN A 33 -4.229 -10.183 -13.368 1.00 0.00 C ATOM 533 CG ASN A 33 -5.526 -9.488 -13.807 1.00 0.00 C ATOM 534 OD1 ASN A 33 -6.488 -10.095 -14.250 1.00 0.00 O ATOM 535 ND2 ASN A 33 -5.464 -8.157 -13.674 1.00 0.00 N ATOM 0 H ASN A 33 -4.809 -12.499 -11.798 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.565 -11.875 -14.679 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.083 -10.024 -12.300 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -3.385 -9.718 -13.878 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -6.257 -7.579 -13.952 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.624 -7.721 -13.295 1.00 0.00 H new ATOM 542 N LYS A 34 -1.954 -11.637 -14.398 1.00 0.00 N ATOM 543 CA LYS A 34 -0.529 -11.911 -14.545 1.00 0.00 C ATOM 544 C LYS A 34 0.286 -10.628 -14.318 1.00 0.00 C ATOM 545 O LYS A 34 -0.262 -9.540 -14.202 1.00 0.00 O ATOM 546 CB LYS A 34 -0.271 -12.464 -15.961 1.00 0.00 C ATOM 547 CG LYS A 34 -0.988 -11.720 -17.106 1.00 0.00 C ATOM 548 CD LYS A 34 -0.593 -10.244 -17.289 1.00 0.00 C ATOM 549 CE LYS A 34 -1.218 -9.584 -18.523 1.00 0.00 C ATOM 550 NZ LYS A 34 -0.780 -10.164 -19.790 1.00 0.00 N ATOM 0 H LYS A 34 -2.279 -10.908 -15.033 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.219 -12.647 -13.803 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.802 -12.440 -16.151 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.575 -13.510 -15.984 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.791 -12.249 -18.039 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.063 -11.771 -16.932 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.889 -9.686 -16.401 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.492 -10.175 -17.362 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.303 -9.662 -18.455 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.974 -8.522 -18.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.149 -9.594 -20.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.259 -10.174 -19.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.139 -11.137 -19.869 1.00 0.00 H new ATOM 564 N ALA A 35 1.624 -10.846 -14.284 1.00 0.00 N ATOM 565 CA ALA A 35 2.667 -9.839 -14.129 1.00 0.00 C ATOM 566 C ALA A 35 2.248 -8.541 -14.789 1.00 0.00 C ATOM 567 O ALA A 35 1.972 -8.446 -15.978 1.00 0.00 O ATOM 568 CB ALA A 35 3.996 -10.335 -14.706 1.00 0.00 C ATOM 0 H ALA A 35 2.010 -11.786 -14.370 1.00 0.00 H new ATOM 0 HA ALA A 35 2.811 -9.656 -13.064 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.758 -9.566 -14.578 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.304 -11.241 -14.184 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.874 -10.552 -15.767 1.00 0.00 H new ATOM 574 N GLY A 36 2.214 -7.574 -13.872 1.00 0.00 N ATOM 575 CA GLY A 36 1.758 -6.258 -14.147 1.00 0.00 C ATOM 576 C GLY A 36 0.698 -6.107 -13.078 1.00 0.00 C ATOM 577 O GLY A 36 1.017 -5.529 -12.062 1.00 0.00 O ATOM 0 H GLY A 36 2.513 -7.710 -12.906 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.551 -5.516 -14.053 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.349 -6.162 -15.153 1.00 0.00 H new ATOM 581 N SER A 37 -0.537 -6.650 -13.299 1.00 0.00 N ATOM 582 CA SER A 37 -1.659 -6.669 -12.312 1.00 0.00 C ATOM 583 C SER A 37 -1.285 -5.835 -11.049 1.00 0.00 C ATOM 584 O SER A 37 -0.434 -6.264 -10.265 1.00 0.00 O ATOM 585 CB SER A 37 -1.506 -8.113 -11.833 1.00 0.00 C ATOM 586 OG SER A 37 -0.133 -8.444 -11.346 1.00 0.00 O ATOM 0 H SER A 37 -0.783 -7.094 -14.184 1.00 0.00 H new ATOM 0 HA SER A 37 -2.610 -6.323 -12.716 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.220 -8.298 -11.031 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.764 -8.786 -12.650 1.00 0.00 H new ATOM 0 HG SER A 37 0.046 -7.956 -10.515 1.00 0.00 H new ATOM 592 N PHE A 38 -1.938 -4.674 -10.875 1.00 0.00 N ATOM 593 CA PHE A 38 -1.491 -3.770 -9.798 1.00 0.00 C ATOM 594 C PHE A 38 -2.571 -3.341 -8.777 1.00 0.00 C ATOM 595 O PHE A 38 -3.766 -3.591 -8.881 1.00 0.00 O ATOM 596 CB PHE A 38 -1.077 -2.395 -10.423 1.00 0.00 C ATOM 597 CG PHE A 38 -0.162 -2.546 -11.577 1.00 0.00 C ATOM 598 CD1 PHE A 38 -0.623 -2.985 -12.803 1.00 0.00 C ATOM 599 CD2 PHE A 38 1.180 -2.307 -11.386 1.00 0.00 C ATOM 600 CE1 PHE A 38 0.282 -3.290 -13.789 1.00 0.00 C ATOM 601 CE2 PHE A 38 2.092 -2.612 -12.369 1.00 0.00 C ATOM 602 CZ PHE A 38 1.642 -3.131 -13.565 1.00 0.00 C ATOM 0 H PHE A 38 -2.731 -4.350 -11.429 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.710 -4.345 -9.301 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.972 -1.861 -10.741 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.595 -1.784 -9.660 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.683 -3.087 -12.984 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.520 -1.876 -10.456 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.066 -3.655 -14.744 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.147 -2.447 -12.207 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.350 -3.414 -14.329 1.00 0.00 H new ATOM 612 N LEU A 39 -1.954 -2.586 -7.822 1.00 0.00 N ATOM 613 CA LEU A 39 -2.544 -1.877 -6.678 1.00 0.00 C ATOM 614 C LEU A 39 -1.535 -0.759 -6.317 1.00 0.00 C ATOM 615 O LEU A 39 -0.455 -0.698 -6.889 1.00 0.00 O ATOM 616 CB LEU A 39 -2.645 -2.701 -5.379 1.00 0.00 C ATOM 617 CG LEU A 39 -2.812 -4.197 -5.519 1.00 0.00 C ATOM 618 CD1 LEU A 39 -2.332 -4.847 -4.254 1.00 0.00 C ATOM 619 CD2 LEU A 39 -4.226 -4.649 -5.671 1.00 0.00 C ATOM 0 H LEU A 39 -0.943 -2.455 -7.848 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.547 -1.577 -6.980 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.746 -2.515 -4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.488 -2.320 -4.802 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.255 -4.470 -6.416 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.444 -5.928 -4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.282 -4.602 -4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.921 -4.483 -3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.253 -5.735 -5.765 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.801 -4.346 -4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.659 -4.197 -6.563 1.00 0.00 H new ATOM 631 N ILE A 40 -1.908 0.094 -5.324 1.00 0.00 N ATOM 632 CA ILE A 40 -0.901 1.081 -4.922 1.00 0.00 C ATOM 633 C ILE A 40 -1.417 1.426 -3.470 1.00 0.00 C ATOM 634 O ILE A 40 -2.009 2.459 -3.189 1.00 0.00 O ATOM 635 CB ILE A 40 -0.830 2.212 -6.012 1.00 0.00 C ATOM 636 CG1 ILE A 40 0.568 2.823 -6.194 1.00 0.00 C ATOM 637 CG2 ILE A 40 -1.658 3.424 -5.627 1.00 0.00 C ATOM 638 CD1 ILE A 40 0.776 3.338 -7.642 1.00 0.00 C ATOM 0 H ILE A 40 -2.804 0.116 -4.838 1.00 0.00 H new ATOM 0 HA ILE A 40 0.149 0.794 -4.870 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.175 1.696 -6.908 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.702 3.645 -5.491 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.327 2.076 -5.959 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.580 4.181 -6.408 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.701 3.130 -5.509 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.288 3.834 -4.687 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.775 3.764 -7.737 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.667 2.510 -8.342 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.033 4.103 -7.866 1.00 0.00 H new ATOM 650 N ARG A 41 -1.218 0.426 -2.576 1.00 0.00 N ATOM 651 CA ARG A 41 -1.685 0.482 -1.182 1.00 0.00 C ATOM 652 C ARG A 41 -0.886 1.518 -0.355 1.00 0.00 C ATOM 653 O ARG A 41 0.331 1.574 -0.469 1.00 0.00 O ATOM 654 CB ARG A 41 -1.677 -0.956 -0.622 1.00 0.00 C ATOM 655 CG ARG A 41 -0.386 -1.441 0.060 1.00 0.00 C ATOM 656 CD ARG A 41 -0.267 -0.930 1.502 1.00 0.00 C ATOM 657 NE ARG A 41 0.414 -1.898 2.352 1.00 0.00 N ATOM 658 CZ ARG A 41 0.399 -1.777 3.697 1.00 0.00 C ATOM 659 NH1 ARG A 41 -0.219 -0.769 4.300 1.00 0.00 N ATOM 660 NH2 ARG A 41 1.014 -2.687 4.436 1.00 0.00 N ATOM 0 H ARG A 41 -0.729 -0.438 -2.808 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.709 0.849 -1.121 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.491 -1.042 0.097 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.902 -1.638 -1.442 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.364 -2.531 0.059 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.476 -1.104 -0.516 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.279 0.013 1.512 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.261 -0.728 1.902 1.00 0.00 H new ATOM 0 HE ARG A 41 0.910 -2.680 1.924 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.699 -0.060 3.746 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.214 -0.703 5.318 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.492 -3.469 3.989 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.010 -2.606 5.453 1.00 0.00 H new ATOM 674 N GLU A 42 -1.601 2.319 0.488 1.00 0.00 N ATOM 675 CA GLU A 42 -0.888 3.344 1.274 1.00 0.00 C ATOM 676 C GLU A 42 -0.248 2.750 2.525 1.00 0.00 C ATOM 677 O GLU A 42 -0.621 1.678 2.981 1.00 0.00 O ATOM 678 CB GLU A 42 -1.699 4.606 1.694 1.00 0.00 C ATOM 679 CG GLU A 42 -2.465 4.659 3.039 1.00 0.00 C ATOM 680 CD GLU A 42 -2.576 6.100 3.588 1.00 0.00 C ATOM 681 OE1 GLU A 42 -2.789 7.031 2.811 1.00 0.00 O ATOM 682 OE2 GLU A 42 -2.445 6.277 4.797 1.00 0.00 O ATOM 0 H GLU A 42 -2.610 2.275 0.630 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.141 3.694 0.562 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.004 5.446 1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.428 4.792 0.905 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.464 4.245 2.903 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.956 4.031 3.770 1.00 0.00 H new ATOM 689 N SER A 43 0.745 3.508 3.040 1.00 0.00 N ATOM 690 CA SER A 43 1.336 3.082 4.304 1.00 0.00 C ATOM 691 C SER A 43 0.390 3.693 5.348 1.00 0.00 C ATOM 692 O SER A 43 0.221 4.902 5.362 1.00 0.00 O ATOM 693 CB SER A 43 2.749 3.710 4.503 1.00 0.00 C ATOM 694 OG SER A 43 3.294 3.901 5.873 1.00 0.00 O ATOM 0 H SER A 43 1.126 4.359 2.626 1.00 0.00 H new ATOM 0 HA SER A 43 1.450 2.000 4.362 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.459 3.090 3.956 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.740 4.687 4.019 1.00 0.00 H new ATOM 0 HG SER A 43 4.186 4.303 5.817 1.00 0.00 H new ATOM 700 N GLU A 44 -0.239 2.867 6.201 1.00 0.00 N ATOM 701 CA GLU A 44 -1.180 3.464 7.156 1.00 0.00 C ATOM 702 C GLU A 44 -0.485 4.133 8.385 1.00 0.00 C ATOM 703 O GLU A 44 -0.934 4.008 9.519 1.00 0.00 O ATOM 704 CB GLU A 44 -2.270 2.483 7.605 1.00 0.00 C ATOM 705 CG GLU A 44 -1.816 1.171 8.263 1.00 0.00 C ATOM 706 CD GLU A 44 -1.183 0.112 7.337 1.00 0.00 C ATOM 707 OE1 GLU A 44 -1.916 -0.711 6.788 1.00 0.00 O ATOM 708 OE2 GLU A 44 0.041 0.093 7.197 1.00 0.00 O ATOM 0 H GLU A 44 -0.125 1.855 6.250 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.667 4.266 6.600 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.922 3.003 8.307 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.875 2.231 6.734 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.095 1.414 9.044 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.679 0.721 8.754 1.00 0.00 H new ATOM 715 N SER A 45 0.618 4.856 8.099 1.00 0.00 N ATOM 716 CA SER A 45 1.415 5.547 9.105 1.00 0.00 C ATOM 717 C SER A 45 2.304 6.623 8.453 1.00 0.00 C ATOM 718 O SER A 45 3.260 7.099 9.054 1.00 0.00 O ATOM 719 CB SER A 45 2.414 4.495 9.653 1.00 0.00 C ATOM 720 OG SER A 45 3.419 3.945 8.699 1.00 0.00 O ATOM 0 H SER A 45 0.974 4.971 7.150 1.00 0.00 H new ATOM 0 HA SER A 45 0.754 5.992 9.849 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.952 4.944 10.488 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.839 3.661 10.055 1.00 0.00 H new ATOM 0 HG SER A 45 3.101 4.071 7.781 1.00 0.00 H new ATOM 726 N ASN A 46 1.954 6.970 7.196 1.00 0.00 N ATOM 727 CA ASN A 46 2.742 7.909 6.407 1.00 0.00 C ATOM 728 C ASN A 46 2.168 9.325 6.285 1.00 0.00 C ATOM 729 O ASN A 46 1.113 9.682 6.792 1.00 0.00 O ATOM 730 CB ASN A 46 2.812 7.330 4.988 1.00 0.00 C ATOM 731 CG ASN A 46 1.453 7.087 4.282 1.00 0.00 C ATOM 732 OD1 ASN A 46 1.416 6.363 3.310 1.00 0.00 O ATOM 733 ND2 ASN A 46 0.345 7.680 4.759 1.00 0.00 N ATOM 0 H ASN A 46 1.130 6.608 6.716 1.00 0.00 H new ATOM 0 HA ASN A 46 3.699 8.017 6.917 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.403 8.006 4.370 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.351 6.383 5.030 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.553 7.525 4.302 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.403 8.285 5.578 1.00 0.00 H new ATOM 740 N LYS A 47 3.009 10.080 5.542 1.00 0.00 N ATOM 741 CA LYS A 47 2.781 11.451 5.126 1.00 0.00 C ATOM 742 C LYS A 47 2.303 11.588 3.669 1.00 0.00 C ATOM 743 O LYS A 47 2.544 12.589 3.007 1.00 0.00 O ATOM 744 CB LYS A 47 3.874 12.391 5.633 1.00 0.00 C ATOM 745 CG LYS A 47 5.089 12.421 4.726 1.00 0.00 C ATOM 746 CD LYS A 47 5.726 11.056 4.463 1.00 0.00 C ATOM 747 CE LYS A 47 6.350 10.424 5.708 1.00 0.00 C ATOM 748 NZ LYS A 47 6.903 9.106 5.416 1.00 0.00 N ATOM 0 H LYS A 47 3.902 9.717 5.209 1.00 0.00 H new ATOM 0 HA LYS A 47 1.898 11.830 5.641 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.468 13.399 5.723 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.179 12.081 6.632 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.802 12.862 3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.839 13.077 5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.969 10.381 4.064 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.493 11.164 3.696 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.137 11.073 6.092 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.597 10.339 6.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.319 8.705 6.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.146 8.480 5.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.639 9.192 4.686 1.00 0.00 H new ATOM 762 N GLY A 48 1.595 10.533 3.225 1.00 0.00 N ATOM 763 CA GLY A 48 1.074 10.465 1.865 1.00 0.00 C ATOM 764 C GLY A 48 1.849 9.454 1.014 1.00 0.00 C ATOM 765 O GLY A 48 1.892 9.543 -0.208 1.00 0.00 O ATOM 0 H GLY A 48 1.375 9.718 3.798 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.020 10.187 1.892 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.132 11.451 1.403 1.00 0.00 H new ATOM 769 N ALA A 49 2.461 8.491 1.747 1.00 0.00 N ATOM 770 CA ALA A 49 3.230 7.431 1.074 1.00 0.00 C ATOM 771 C ALA A 49 2.300 6.331 0.516 1.00 0.00 C ATOM 772 O ALA A 49 1.132 6.215 0.860 1.00 0.00 O ATOM 773 CB ALA A 49 4.291 6.816 2.003 1.00 0.00 C ATOM 0 H ALA A 49 2.437 8.430 2.765 1.00 0.00 H new ATOM 0 HA ALA A 49 3.749 7.899 0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.836 6.038 1.468 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.987 7.591 2.324 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.803 6.382 2.876 1.00 0.00 H new ATOM 779 N PHE A 50 2.900 5.541 -0.391 1.00 0.00 N ATOM 780 CA PHE A 50 2.179 4.458 -1.055 1.00 0.00 C ATOM 781 C PHE A 50 3.139 3.263 -1.294 1.00 0.00 C ATOM 782 O PHE A 50 4.316 3.318 -0.963 1.00 0.00 O ATOM 783 CB PHE A 50 1.445 5.015 -2.295 1.00 0.00 C ATOM 784 CG PHE A 50 0.206 5.803 -1.950 1.00 0.00 C ATOM 785 CD1 PHE A 50 -1.026 5.179 -1.816 1.00 0.00 C ATOM 786 CD2 PHE A 50 0.279 7.175 -1.751 1.00 0.00 C ATOM 787 CE1 PHE A 50 -2.165 5.909 -1.502 1.00 0.00 C ATOM 788 CE2 PHE A 50 -0.851 7.912 -1.421 1.00 0.00 C ATOM 789 CZ PHE A 50 -2.079 7.279 -1.302 1.00 0.00 C ATOM 0 H PHE A 50 3.875 5.636 -0.675 1.00 0.00 H new ATOM 0 HA PHE A 50 1.387 4.046 -0.431 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.128 5.652 -2.857 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.171 4.187 -2.949 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.100 4.111 -1.958 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.230 7.677 -1.854 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.119 5.410 -1.413 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.773 8.977 -1.257 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.963 7.849 -1.055 1.00 0.00 H new ATOM 799 N SER A 51 2.568 2.187 -1.888 1.00 0.00 N ATOM 800 CA SER A 51 3.328 0.965 -2.169 1.00 0.00 C ATOM 801 C SER A 51 2.705 0.207 -3.365 1.00 0.00 C ATOM 802 O SER A 51 1.640 -0.394 -3.267 1.00 0.00 O ATOM 803 CB SER A 51 3.358 0.062 -0.894 1.00 0.00 C ATOM 804 OG SER A 51 3.445 0.687 0.452 1.00 0.00 O ATOM 0 H SER A 51 1.590 2.149 -2.176 1.00 0.00 H new ATOM 0 HA SER A 51 4.351 1.231 -2.435 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.458 -0.553 -0.910 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.207 -0.614 -0.994 1.00 0.00 H new ATOM 0 HG SER A 51 3.452 -0.013 1.138 1.00 0.00 H new ATOM 810 N LEU A 52 3.460 0.266 -4.482 1.00 0.00 N ATOM 811 CA LEU A 52 3.069 -0.349 -5.748 1.00 0.00 C ATOM 812 C LEU A 52 3.404 -1.852 -5.796 1.00 0.00 C ATOM 813 O LEU A 52 4.552 -2.276 -5.838 1.00 0.00 O ATOM 814 CB LEU A 52 3.787 0.446 -6.855 1.00 0.00 C ATOM 815 CG LEU A 52 3.479 0.060 -8.307 1.00 0.00 C ATOM 816 CD1 LEU A 52 1.971 -0.044 -8.522 1.00 0.00 C ATOM 817 CD2 LEU A 52 4.082 1.105 -9.262 1.00 0.00 C ATOM 0 H LEU A 52 4.359 0.745 -4.521 1.00 0.00 H new ATOM 0 HA LEU A 52 1.988 -0.305 -5.881 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.542 1.500 -6.727 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.861 0.347 -6.700 1.00 0.00 H new ATOM 0 HG LEU A 52 3.924 -0.913 -8.516 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.769 -0.319 -9.557 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.560 -0.805 -7.858 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.505 0.917 -8.304 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.861 0.827 -10.292 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.651 2.083 -9.050 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.162 1.146 -9.121 1.00 0.00 H new ATOM 829 N SER A 53 2.293 -2.613 -5.808 1.00 0.00 N ATOM 830 CA SER A 53 2.325 -4.064 -5.851 1.00 0.00 C ATOM 831 C SER A 53 2.089 -4.482 -7.299 1.00 0.00 C ATOM 832 O SER A 53 1.162 -3.995 -7.928 1.00 0.00 O ATOM 833 CB SER A 53 1.214 -4.584 -4.900 1.00 0.00 C ATOM 834 OG SER A 53 1.160 -4.037 -3.515 1.00 0.00 O ATOM 0 H SER A 53 1.350 -2.224 -5.788 1.00 0.00 H new ATOM 0 HA SER A 53 3.278 -4.481 -5.523 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.252 -4.388 -5.373 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.318 -5.667 -4.827 1.00 0.00 H new ATOM 0 HG SER A 53 0.651 -4.647 -2.942 1.00 0.00 H new ATOM 840 N VAL A 54 2.978 -5.385 -7.790 1.00 0.00 N ATOM 841 CA VAL A 54 2.892 -5.863 -9.185 1.00 0.00 C ATOM 842 C VAL A 54 3.149 -7.407 -9.164 1.00 0.00 C ATOM 843 O VAL A 54 3.887 -7.809 -8.287 1.00 0.00 O ATOM 844 CB VAL A 54 3.905 -5.048 -10.039 1.00 0.00 C ATOM 845 CG1 VAL A 54 3.821 -5.316 -11.535 1.00 0.00 C ATOM 846 CG2 VAL A 54 3.690 -3.572 -9.764 1.00 0.00 C ATOM 0 H VAL A 54 3.745 -5.786 -7.250 1.00 0.00 H new ATOM 0 HA VAL A 54 1.915 -5.708 -9.642 1.00 0.00 H new ATOM 0 HB VAL A 54 4.903 -5.369 -9.742 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.561 -4.708 -12.056 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.018 -6.371 -11.727 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.824 -5.062 -11.895 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.393 -2.986 -10.355 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.671 -3.296 -10.034 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.852 -3.372 -8.705 1.00 0.00 H new ATOM 856 N LYS A 55 2.593 -8.292 -10.053 1.00 0.00 N ATOM 857 CA LYS A 55 2.940 -9.739 -9.875 1.00 0.00 C ATOM 858 C LYS A 55 4.339 -10.162 -10.460 1.00 0.00 C ATOM 859 O LYS A 55 4.434 -10.205 -11.679 1.00 0.00 O ATOM 860 CB LYS A 55 1.821 -10.680 -10.447 1.00 0.00 C ATOM 861 CG LYS A 55 2.098 -12.189 -10.317 1.00 0.00 C ATOM 862 CD LYS A 55 0.932 -12.930 -9.658 1.00 0.00 C ATOM 863 CE LYS A 55 -0.280 -13.179 -10.568 1.00 0.00 C ATOM 864 NZ LYS A 55 -0.043 -14.148 -11.628 1.00 0.00 N ATOM 0 H LYS A 55 1.966 -8.063 -10.824 1.00 0.00 H new ATOM 0 HA LYS A 55 3.010 -9.862 -8.794 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.884 -10.454 -9.937 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.675 -10.444 -11.501 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.283 -12.610 -11.305 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.004 -12.342 -9.730 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.294 -13.890 -9.290 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.603 -12.359 -8.790 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.114 -13.523 -9.957 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.583 -12.233 -11.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.570 -13.867 -12.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.973 -14.183 -11.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.363 -15.088 -11.317 1.00 0.00 H new ATOM 878 N ASP A 56 5.416 -10.515 -9.645 1.00 0.00 N ATOM 879 CA ASP A 56 6.580 -11.000 -10.455 1.00 0.00 C ATOM 880 C ASP A 56 6.302 -12.467 -10.863 1.00 0.00 C ATOM 881 O ASP A 56 5.696 -13.245 -10.136 1.00 0.00 O ATOM 882 CB ASP A 56 8.026 -11.091 -9.892 1.00 0.00 C ATOM 883 CG ASP A 56 8.669 -9.863 -9.257 1.00 0.00 C ATOM 884 OD1 ASP A 56 9.276 -9.074 -9.976 1.00 0.00 O ATOM 885 OD2 ASP A 56 8.608 -9.732 -8.042 1.00 0.00 O ATOM 0 H ASP A 56 5.494 -10.482 -8.629 1.00 0.00 H new ATOM 0 HA ASP A 56 6.610 -10.205 -11.200 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.035 -11.886 -9.146 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.673 -11.412 -10.708 1.00 0.00 H new ATOM 890 N ILE A 57 6.777 -12.748 -12.093 1.00 0.00 N ATOM 891 CA ILE A 57 6.667 -14.075 -12.690 1.00 0.00 C ATOM 892 C ILE A 57 8.030 -14.425 -13.303 1.00 0.00 C ATOM 893 O ILE A 57 8.355 -14.095 -14.436 1.00 0.00 O ATOM 894 CB ILE A 57 5.501 -14.136 -13.689 1.00 0.00 C ATOM 895 CG1 ILE A 57 4.183 -13.781 -12.972 1.00 0.00 C ATOM 896 CG2 ILE A 57 5.415 -15.522 -14.356 1.00 0.00 C ATOM 897 CD1 ILE A 57 2.919 -14.133 -13.745 1.00 0.00 C ATOM 0 H ILE A 57 7.242 -12.062 -12.688 1.00 0.00 H new ATOM 0 HA ILE A 57 6.427 -14.828 -11.939 1.00 0.00 H new ATOM 0 HB ILE A 57 5.677 -13.406 -14.479 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.159 -14.295 -12.011 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.177 -12.711 -12.762 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.581 -15.537 -15.058 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.343 -15.727 -14.890 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.260 -16.284 -13.592 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.044 -13.846 -13.162 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.913 -13.598 -14.695 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.894 -15.206 -13.933 1.00 0.00 H new ATOM 909 N THR A 58 8.782 -15.114 -12.426 1.00 0.00 N ATOM 910 CA THR A 58 10.140 -15.591 -12.656 1.00 0.00 C ATOM 911 C THR A 58 10.161 -17.122 -12.589 1.00 0.00 C ATOM 912 O THR A 58 9.186 -17.751 -12.193 1.00 0.00 O ATOM 913 CB THR A 58 11.048 -15.018 -11.526 1.00 0.00 C ATOM 914 OG1 THR A 58 12.467 -15.372 -11.583 1.00 0.00 O ATOM 915 CG2 THR A 58 10.389 -15.187 -10.116 1.00 0.00 C ATOM 0 H THR A 58 8.436 -15.360 -11.499 1.00 0.00 H new ATOM 0 HA THR A 58 10.495 -15.270 -13.635 1.00 0.00 H new ATOM 0 HB THR A 58 11.099 -13.948 -11.730 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.938 -14.958 -10.830 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.051 -14.776 -9.353 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.437 -14.657 -10.094 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.220 -16.245 -9.918 1.00 0.00 H new ATOM 923 N THR A 59 11.333 -17.688 -12.968 1.00 0.00 N ATOM 924 CA THR A 59 11.466 -19.147 -12.934 1.00 0.00 C ATOM 925 C THR A 59 11.688 -19.684 -11.502 1.00 0.00 C ATOM 926 O THR A 59 11.816 -20.887 -11.311 1.00 0.00 O ATOM 927 CB THR A 59 12.560 -19.705 -13.901 1.00 0.00 C ATOM 928 OG1 THR A 59 12.760 -21.159 -13.906 1.00 0.00 O ATOM 929 CG2 THR A 59 13.894 -18.905 -13.827 1.00 0.00 C ATOM 0 H THR A 59 12.157 -17.178 -13.285 1.00 0.00 H new ATOM 0 HA THR A 59 10.507 -19.518 -13.297 1.00 0.00 H new ATOM 0 HB THR A 59 12.125 -19.527 -14.885 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.447 -21.535 -13.057 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.616 -19.337 -14.519 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.710 -17.865 -14.097 1.00 0.00 H new ATOM 0 HG23 THR A 59 14.291 -18.952 -12.813 1.00 0.00 H new ATOM 937 N GLN A 60 11.727 -18.756 -10.513 1.00 0.00 N ATOM 938 CA GLN A 60 11.908 -19.170 -9.115 1.00 0.00 C ATOM 939 C GLN A 60 10.552 -19.300 -8.378 1.00 0.00 C ATOM 940 O GLN A 60 10.506 -19.741 -7.236 1.00 0.00 O ATOM 941 CB GLN A 60 12.830 -18.193 -8.372 1.00 0.00 C ATOM 942 CG GLN A 60 14.298 -18.279 -8.837 1.00 0.00 C ATOM 943 CD GLN A 60 15.138 -19.240 -7.973 1.00 0.00 C ATOM 944 OE1 GLN A 60 14.634 -20.023 -7.178 1.00 0.00 O ATOM 945 NE2 GLN A 60 16.457 -19.119 -8.182 1.00 0.00 N ATOM 0 H GLN A 60 11.638 -17.750 -10.658 1.00 0.00 H new ATOM 0 HA GLN A 60 12.377 -20.154 -9.125 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.467 -17.176 -8.519 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.781 -18.397 -7.302 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.328 -18.610 -9.875 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.744 -17.285 -8.806 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.806 -18.443 -8.862 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.112 -19.703 -7.661 1.00 0.00 H new ATOM 954 N GLY A 61 9.470 -18.896 -9.085 1.00 0.00 N ATOM 955 CA GLY A 61 8.119 -18.956 -8.533 1.00 0.00 C ATOM 956 C GLY A 61 7.423 -17.591 -8.578 1.00 0.00 C ATOM 957 O GLY A 61 8.051 -16.544 -8.670 1.00 0.00 O ATOM 0 H GLY A 61 9.518 -18.528 -10.035 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.530 -19.683 -9.093 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.163 -19.307 -7.502 1.00 0.00 H new ATOM 961 N GLU A 62 6.080 -17.683 -8.504 1.00 0.00 N ATOM 962 CA GLU A 62 5.207 -16.535 -8.533 1.00 0.00 C ATOM 963 C GLU A 62 5.238 -15.816 -7.177 1.00 0.00 C ATOM 964 O GLU A 62 5.234 -16.420 -6.109 1.00 0.00 O ATOM 965 CB GLU A 62 3.791 -16.987 -8.903 1.00 0.00 C ATOM 966 CG GLU A 62 3.083 -15.834 -9.592 1.00 0.00 C ATOM 967 CD GLU A 62 1.785 -16.255 -10.290 1.00 0.00 C ATOM 968 OE1 GLU A 62 0.759 -16.373 -9.623 1.00 0.00 O ATOM 969 OE2 GLU A 62 1.800 -16.424 -11.507 1.00 0.00 O ATOM 0 H GLU A 62 5.586 -18.571 -8.422 1.00 0.00 H new ATOM 0 HA GLU A 62 5.548 -15.826 -9.287 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.830 -17.855 -9.561 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.244 -17.288 -8.010 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.859 -15.062 -8.856 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.755 -15.389 -10.326 1.00 0.00 H new ATOM 976 N VAL A 63 5.272 -14.485 -7.333 1.00 0.00 N ATOM 977 CA VAL A 63 5.358 -13.545 -6.229 1.00 0.00 C ATOM 978 C VAL A 63 4.710 -12.224 -6.723 1.00 0.00 C ATOM 979 O VAL A 63 4.091 -12.191 -7.775 1.00 0.00 O ATOM 980 CB VAL A 63 6.862 -13.443 -5.907 1.00 0.00 C ATOM 981 CG1 VAL A 63 7.645 -12.931 -7.114 1.00 0.00 C ATOM 982 CG2 VAL A 63 7.189 -12.645 -4.633 1.00 0.00 C ATOM 0 H VAL A 63 5.240 -14.034 -8.247 1.00 0.00 H new ATOM 0 HA VAL A 63 4.834 -13.829 -5.316 1.00 0.00 H new ATOM 0 HB VAL A 63 7.185 -14.460 -5.686 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.703 -12.868 -6.861 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.512 -13.616 -7.951 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.279 -11.943 -7.392 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.269 -12.624 -4.484 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.818 -11.626 -4.737 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.713 -13.119 -3.775 1.00 0.00 H new ATOM 992 N VAL A 64 4.872 -11.164 -5.918 1.00 0.00 N ATOM 993 CA VAL A 64 4.377 -9.817 -6.204 1.00 0.00 C ATOM 994 C VAL A 64 5.621 -8.895 -6.114 1.00 0.00 C ATOM 995 O VAL A 64 6.718 -9.423 -6.113 1.00 0.00 O ATOM 996 CB VAL A 64 3.127 -9.600 -5.312 1.00 0.00 C ATOM 997 CG1 VAL A 64 2.808 -8.168 -4.932 1.00 0.00 C ATOM 998 CG2 VAL A 64 1.877 -10.083 -6.045 1.00 0.00 C ATOM 0 H VAL A 64 5.365 -11.226 -5.027 1.00 0.00 H new ATOM 0 HA VAL A 64 3.978 -9.595 -7.194 1.00 0.00 H new ATOM 0 HB VAL A 64 3.378 -10.151 -4.406 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.914 -8.147 -4.309 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.646 -7.743 -4.379 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.635 -7.582 -5.835 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.002 -9.928 -5.413 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.759 -9.522 -6.972 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.976 -11.144 -6.273 1.00 0.00 H new ATOM 1008 N LYS A 65 5.441 -7.554 -6.138 1.00 0.00 N ATOM 1009 CA LYS A 65 6.508 -6.548 -5.949 1.00 0.00 C ATOM 1010 C LYS A 65 5.946 -5.548 -4.946 1.00 0.00 C ATOM 1011 O LYS A 65 4.793 -5.646 -4.565 1.00 0.00 O ATOM 1012 CB LYS A 65 7.036 -5.719 -7.144 1.00 0.00 C ATOM 1013 CG LYS A 65 7.779 -6.555 -8.169 1.00 0.00 C ATOM 1014 CD LYS A 65 6.744 -7.252 -9.026 1.00 0.00 C ATOM 1015 CE LYS A 65 6.963 -7.261 -10.553 1.00 0.00 C ATOM 1016 NZ LYS A 65 8.249 -6.729 -10.996 1.00 0.00 N ATOM 0 H LYS A 65 4.525 -7.133 -6.293 1.00 0.00 H new ATOM 0 HA LYS A 65 7.378 -7.142 -5.668 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.198 -5.220 -7.630 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.699 -4.938 -6.772 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.423 -5.925 -8.783 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.422 -7.284 -7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.674 -8.287 -8.692 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.778 -6.787 -8.829 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.868 -8.286 -10.912 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.167 -6.683 -11.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.278 -6.713 -12.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.369 -5.763 -10.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.016 -7.332 -10.638 1.00 0.00 H new ATOM 1030 N HIS A 66 6.822 -4.599 -4.594 1.00 0.00 N ATOM 1031 CA HIS A 66 6.585 -3.511 -3.662 1.00 0.00 C ATOM 1032 C HIS A 66 7.592 -2.355 -3.915 1.00 0.00 C ATOM 1033 O HIS A 66 8.667 -2.328 -3.324 1.00 0.00 O ATOM 1034 CB HIS A 66 6.826 -4.033 -2.232 1.00 0.00 C ATOM 1035 CG HIS A 66 5.672 -4.853 -1.701 1.00 0.00 C ATOM 1036 ND1 HIS A 66 4.408 -4.748 -2.144 1.00 0.00 N ATOM 1037 CD2 HIS A 66 5.707 -5.839 -0.706 1.00 0.00 C ATOM 1038 CE1 HIS A 66 3.688 -5.644 -1.447 1.00 0.00 C ATOM 1039 NE2 HIS A 66 4.448 -6.318 -0.567 1.00 0.00 N ATOM 0 H HIS A 66 7.766 -4.577 -4.979 1.00 0.00 H new ATOM 0 HA HIS A 66 5.565 -3.149 -3.792 1.00 0.00 H new ATOM 0 HB2 HIS A 66 7.732 -4.640 -2.220 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.000 -3.187 -1.567 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.063 -4.115 -2.865 1.00 0.00 H new ATOM 0 HD2 HIS A 66 6.578 -6.158 -0.152 1.00 0.00 H new ATOM 0 HE1 HIS A 66 2.628 -5.803 -1.578 1.00 0.00 H new ATOM 1047 N TYR A 67 7.200 -1.417 -4.809 1.00 0.00 N ATOM 1048 CA TYR A 67 8.035 -0.243 -5.091 1.00 0.00 C ATOM 1049 C TYR A 67 7.467 0.870 -4.194 1.00 0.00 C ATOM 1050 O TYR A 67 6.309 1.246 -4.317 1.00 0.00 O ATOM 1051 CB TYR A 67 7.984 0.210 -6.561 1.00 0.00 C ATOM 1052 CG TYR A 67 8.076 -0.909 -7.554 1.00 0.00 C ATOM 1053 CD1 TYR A 67 6.916 -1.573 -7.898 1.00 0.00 C ATOM 1054 CD2 TYR A 67 9.275 -1.294 -8.144 1.00 0.00 C ATOM 1055 CE1 TYR A 67 6.934 -2.621 -8.792 1.00 0.00 C ATOM 1056 CE2 TYR A 67 9.304 -2.342 -9.060 1.00 0.00 C ATOM 1057 CZ TYR A 67 8.125 -3.015 -9.394 1.00 0.00 C ATOM 1058 OH TYR A 67 8.131 -4.083 -10.285 1.00 0.00 O ATOM 0 H TYR A 67 6.327 -1.455 -5.335 1.00 0.00 H new ATOM 0 HA TYR A 67 9.082 -0.478 -4.897 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.055 0.754 -6.729 1.00 0.00 H new ATOM 0 HB3 TYR A 67 8.800 0.909 -6.742 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.978 -1.266 -7.459 1.00 0.00 H new ATOM 0 HD2 TYR A 67 10.189 -0.777 -7.890 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.017 -3.141 -9.027 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.239 -2.636 -9.513 1.00 0.00 H new ATOM 0 HH TYR A 67 8.663 -3.848 -11.074 1.00 0.00 H new ATOM 1068 N LYS A 68 8.333 1.366 -3.298 1.00 0.00 N ATOM 1069 CA LYS A 68 7.908 2.376 -2.339 1.00 0.00 C ATOM 1070 C LYS A 68 7.699 3.793 -2.929 1.00 0.00 C ATOM 1071 O LYS A 68 8.635 4.488 -3.302 1.00 0.00 O ATOM 1072 CB LYS A 68 8.854 2.332 -1.125 1.00 0.00 C ATOM 1073 CG LYS A 68 10.104 3.178 -1.243 1.00 0.00 C ATOM 1074 CD LYS A 68 10.976 2.795 -2.441 1.00 0.00 C ATOM 1075 CE LYS A 68 12.221 3.657 -2.473 1.00 0.00 C ATOM 1076 NZ LYS A 68 12.967 3.487 -3.718 1.00 0.00 N ATOM 0 H LYS A 68 9.311 1.086 -3.223 1.00 0.00 H new ATOM 0 HA LYS A 68 6.900 2.124 -2.011 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.300 2.654 -0.243 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.151 1.297 -0.955 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.819 4.227 -1.329 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.689 3.080 -0.329 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.254 1.743 -2.377 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.413 2.921 -3.366 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.941 4.704 -2.357 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.861 3.403 -1.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.830 4.067 -3.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.227 2.487 -3.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.376 3.786 -4.520 1.00 0.00 H new ATOM 1090 N ILE A 69 6.397 4.172 -2.991 1.00 0.00 N ATOM 1091 CA ILE A 69 6.027 5.529 -3.401 1.00 0.00 C ATOM 1092 C ILE A 69 6.000 6.440 -2.168 1.00 0.00 C ATOM 1093 O ILE A 69 5.716 6.051 -1.043 1.00 0.00 O ATOM 1094 CB ILE A 69 4.869 5.755 -4.408 1.00 0.00 C ATOM 1095 CG1 ILE A 69 3.753 4.704 -4.418 1.00 0.00 C ATOM 1096 CG2 ILE A 69 5.261 6.344 -5.755 1.00 0.00 C ATOM 1097 CD1 ILE A 69 3.864 3.558 -5.409 1.00 0.00 C ATOM 0 H ILE A 69 5.610 3.564 -2.766 1.00 0.00 H new ATOM 0 HA ILE A 69 6.827 5.821 -4.081 1.00 0.00 H new ATOM 0 HB ILE A 69 4.347 6.595 -3.949 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.688 4.276 -3.418 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.811 5.219 -4.606 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.372 6.457 -6.375 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.725 7.319 -5.605 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.967 5.679 -6.251 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.004 2.897 -5.299 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.888 3.955 -6.424 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.779 2.998 -5.217 1.00 0.00 H new ATOM 1109 N ARG A 70 6.365 7.682 -2.500 1.00 0.00 N ATOM 1110 CA ARG A 70 6.431 8.766 -1.545 1.00 0.00 C ATOM 1111 C ARG A 70 5.616 9.914 -2.114 1.00 0.00 C ATOM 1112 O ARG A 70 5.088 9.830 -3.209 1.00 0.00 O ATOM 1113 CB ARG A 70 7.883 9.176 -1.395 1.00 0.00 C ATOM 1114 CG ARG A 70 8.719 8.074 -0.741 1.00 0.00 C ATOM 1115 CD ARG A 70 9.668 8.700 0.266 1.00 0.00 C ATOM 1116 NE ARG A 70 10.668 7.751 0.740 1.00 0.00 N ATOM 1117 CZ ARG A 70 10.416 6.784 1.645 1.00 0.00 C ATOM 1118 NH1 ARG A 70 9.201 6.612 2.157 1.00 0.00 N ATOM 1119 NH2 ARG A 70 11.402 5.987 2.031 1.00 0.00 N ATOM 0 H ARG A 70 6.623 7.954 -3.449 1.00 0.00 H new ATOM 0 HA ARG A 70 6.040 8.477 -0.569 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.297 9.413 -2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.944 10.084 -0.795 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.069 7.352 -0.246 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.281 7.529 -1.499 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.167 9.555 -0.190 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.098 9.079 1.114 1.00 0.00 H new ATOM 0 HE ARG A 70 11.614 7.823 0.365 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.434 7.219 1.866 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.035 5.873 2.840 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.338 6.109 1.644 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.225 5.251 2.715 1.00 0.00 H new ATOM 1133 N SER A 71 5.575 10.975 -1.299 1.00 0.00 N ATOM 1134 CA SER A 71 4.866 12.187 -1.639 1.00 0.00 C ATOM 1135 C SER A 71 5.799 13.344 -1.271 1.00 0.00 C ATOM 1136 O SER A 71 6.132 13.562 -0.112 1.00 0.00 O ATOM 1137 CB SER A 71 3.595 12.172 -0.761 1.00 0.00 C ATOM 1138 OG SER A 71 3.723 11.641 0.621 1.00 0.00 O ATOM 0 H SER A 71 6.036 11.005 -0.389 1.00 0.00 H new ATOM 0 HA SER A 71 4.587 12.281 -2.689 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.219 13.193 -0.696 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.836 11.585 -1.278 1.00 0.00 H new ATOM 0 HG SER A 71 3.192 12.191 1.233 1.00 0.00 H new ATOM 1144 N LEU A 72 6.199 14.038 -2.357 1.00 0.00 N ATOM 1145 CA LEU A 72 7.150 15.137 -2.311 1.00 0.00 C ATOM 1146 C LEU A 72 6.467 16.476 -2.503 1.00 0.00 C ATOM 1147 O LEU A 72 5.341 16.587 -2.972 1.00 0.00 O ATOM 1148 CB LEU A 72 8.241 14.945 -3.379 1.00 0.00 C ATOM 1149 CG LEU A 72 8.555 13.482 -3.657 1.00 0.00 C ATOM 1150 CD1 LEU A 72 8.880 12.714 -2.363 1.00 0.00 C ATOM 1151 CD2 LEU A 72 7.490 12.849 -4.581 1.00 0.00 C ATOM 0 H LEU A 72 5.858 13.838 -3.297 1.00 0.00 H new ATOM 0 HA LEU A 72 7.609 15.133 -1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.923 15.424 -4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.151 15.450 -3.055 1.00 0.00 H new ATOM 0 HG LEU A 72 9.479 13.411 -4.231 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.099 11.673 -2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.747 13.165 -1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.025 12.759 -1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.740 11.804 -4.762 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.512 12.910 -4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.466 13.386 -5.529 1.00 0.00 H new ATOM 1163 N ASP A 73 7.311 17.451 -2.122 1.00 0.00 N ATOM 1164 CA ASP A 73 7.076 18.892 -2.122 1.00 0.00 C ATOM 1165 C ASP A 73 6.296 19.422 -3.344 1.00 0.00 C ATOM 1166 O ASP A 73 5.410 20.255 -3.201 1.00 0.00 O ATOM 1167 CB ASP A 73 8.426 19.614 -1.939 1.00 0.00 C ATOM 1168 CG ASP A 73 9.468 19.178 -2.988 1.00 0.00 C ATOM 1169 OD1 ASP A 73 10.178 18.202 -2.742 1.00 0.00 O ATOM 1170 OD2 ASP A 73 9.556 19.816 -4.036 1.00 0.00 O ATOM 0 H ASP A 73 8.246 17.226 -1.781 1.00 0.00 H new ATOM 0 HA ASP A 73 6.414 19.110 -1.284 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.272 20.691 -2.008 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.812 19.411 -0.940 1.00 0.00 H new ATOM 1175 N ASN A 74 6.658 18.899 -4.536 1.00 0.00 N ATOM 1176 CA ASN A 74 5.991 19.330 -5.770 1.00 0.00 C ATOM 1177 C ASN A 74 4.496 18.950 -5.804 1.00 0.00 C ATOM 1178 O ASN A 74 3.655 19.636 -6.373 1.00 0.00 O ATOM 1179 CB ASN A 74 6.758 18.842 -7.014 1.00 0.00 C ATOM 1180 CG ASN A 74 6.697 17.314 -7.197 1.00 0.00 C ATOM 1181 OD1 ASN A 74 7.029 16.546 -6.306 1.00 0.00 O ATOM 1182 ND2 ASN A 74 6.242 16.922 -8.398 1.00 0.00 N ATOM 0 H ASN A 74 7.388 18.198 -4.663 1.00 0.00 H new ATOM 0 HA ASN A 74 6.012 20.420 -5.785 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.347 19.325 -7.900 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.800 19.152 -6.936 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.156 15.928 -8.611 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.982 17.618 -9.097 1.00 0.00 H new ATOM 1189 N GLY A 75 4.268 17.817 -5.130 1.00 0.00 N ATOM 1190 CA GLY A 75 2.966 17.179 -4.966 1.00 0.00 C ATOM 1191 C GLY A 75 2.911 15.877 -5.765 1.00 0.00 C ATOM 1192 O GLY A 75 1.854 15.331 -6.059 1.00 0.00 O ATOM 0 H GLY A 75 5.018 17.303 -4.667 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.783 16.975 -3.911 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.178 17.853 -5.301 1.00 0.00 H new ATOM 1196 N GLY A 76 4.142 15.432 -6.091 1.00 0.00 N ATOM 1197 CA GLY A 76 4.338 14.245 -6.874 1.00 0.00 C ATOM 1198 C GLY A 76 4.455 12.994 -6.032 1.00 0.00 C ATOM 1199 O GLY A 76 4.156 12.955 -4.846 1.00 0.00 O ATOM 0 H GLY A 76 5.006 15.897 -5.811 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.505 14.133 -7.568 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.240 14.358 -7.475 1.00 0.00 H new ATOM 1203 N TYR A 77 4.931 11.985 -6.771 1.00 0.00 N ATOM 1204 CA TYR A 77 5.121 10.665 -6.213 1.00 0.00 C ATOM 1205 C TYR A 77 6.244 9.989 -6.972 1.00 0.00 C ATOM 1206 O TYR A 77 6.205 9.852 -8.190 1.00 0.00 O ATOM 1207 CB TYR A 77 3.880 9.791 -6.437 1.00 0.00 C ATOM 1208 CG TYR A 77 2.654 10.194 -5.680 1.00 0.00 C ATOM 1209 CD1 TYR A 77 1.765 11.093 -6.237 1.00 0.00 C ATOM 1210 CD2 TYR A 77 2.350 9.609 -4.466 1.00 0.00 C ATOM 1211 CE1 TYR A 77 0.534 11.354 -5.653 1.00 0.00 C ATOM 1212 CE2 TYR A 77 1.143 9.888 -3.842 1.00 0.00 C ATOM 1213 CZ TYR A 77 0.195 10.710 -4.459 1.00 0.00 C ATOM 1214 OH TYR A 77 -1.077 10.844 -3.914 1.00 0.00 O ATOM 0 H TYR A 77 5.188 12.069 -7.755 1.00 0.00 H new ATOM 0 HA TYR A 77 5.326 10.771 -5.148 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.644 9.794 -7.501 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.129 8.764 -6.168 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.035 11.605 -7.149 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.053 8.933 -4.002 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -0.154 12.046 -6.115 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.933 9.466 -2.870 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.133 10.326 -3.084 1.00 0.00 H new ATOM 1224 N TYR A 78 7.226 9.566 -6.154 1.00 0.00 N ATOM 1225 CA TYR A 78 8.375 8.877 -6.743 1.00 0.00 C ATOM 1226 C TYR A 78 8.461 7.436 -6.225 1.00 0.00 C ATOM 1227 O TYR A 78 8.352 7.213 -5.028 1.00 0.00 O ATOM 1228 CB TYR A 78 9.696 9.619 -6.434 1.00 0.00 C ATOM 1229 CG TYR A 78 10.370 9.316 -5.115 1.00 0.00 C ATOM 1230 CD1 TYR A 78 11.108 8.150 -4.939 1.00 0.00 C ATOM 1231 CD2 TYR A 78 10.291 10.210 -4.059 1.00 0.00 C ATOM 1232 CE1 TYR A 78 11.757 7.869 -3.751 1.00 0.00 C ATOM 1233 CE2 TYR A 78 10.956 9.956 -2.866 1.00 0.00 C ATOM 1234 CZ TYR A 78 11.704 8.785 -2.701 1.00 0.00 C ATOM 1235 OH TYR A 78 12.374 8.526 -1.512 1.00 0.00 O ATOM 0 H TYR A 78 7.246 9.682 -5.141 1.00 0.00 H new ATOM 0 HA TYR A 78 8.231 8.864 -7.823 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.403 9.396 -7.233 1.00 0.00 H new ATOM 0 HB3 TYR A 78 9.498 10.690 -6.473 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.176 7.444 -5.754 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.707 11.112 -4.164 1.00 0.00 H new ATOM 0 HE1 TYR A 78 12.303 6.944 -3.637 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.895 10.670 -2.058 1.00 0.00 H new ATOM 0 HH TYR A 78 12.232 9.268 -0.888 1.00 0.00 H new ATOM 1245 N ILE A 79 8.651 6.483 -7.169 1.00 0.00 N ATOM 1246 CA ILE A 79 8.862 5.078 -6.725 1.00 0.00 C ATOM 1247 C ILE A 79 10.391 4.898 -6.694 1.00 0.00 C ATOM 1248 O ILE A 79 10.996 4.383 -5.759 1.00 0.00 O ATOM 1249 CB ILE A 79 8.153 3.958 -7.521 1.00 0.00 C ATOM 1250 CG1 ILE A 79 7.958 4.328 -8.980 1.00 0.00 C ATOM 1251 CG2 ILE A 79 6.806 3.527 -6.911 1.00 0.00 C ATOM 1252 CD1 ILE A 79 7.205 3.227 -9.733 1.00 0.00 C ATOM 0 H ILE A 79 8.664 6.639 -8.177 1.00 0.00 H new ATOM 0 HA ILE A 79 8.382 4.952 -5.755 1.00 0.00 H new ATOM 0 HB ILE A 79 8.828 3.105 -7.458 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.404 5.264 -9.050 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.928 4.495 -9.449 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.366 2.739 -7.522 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.967 3.155 -5.899 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.130 4.382 -6.880 1.00 0.00 H new ATOM 0 HD11 ILE A 79 7.080 3.519 -10.776 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.773 2.298 -9.682 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.226 3.079 -9.278 1.00 0.00 H new ATOM 1264 N SER A 80 10.939 5.424 -7.807 1.00 0.00 N ATOM 1265 CA SER A 80 12.357 5.510 -8.085 1.00 0.00 C ATOM 1266 C SER A 80 12.525 7.035 -8.048 1.00 0.00 C ATOM 1267 O SER A 80 11.833 7.732 -8.772 1.00 0.00 O ATOM 1268 CB SER A 80 12.597 4.937 -9.532 1.00 0.00 C ATOM 1269 OG SER A 80 13.947 4.580 -10.037 1.00 0.00 O ATOM 0 H SER A 80 10.368 5.812 -8.558 1.00 0.00 H new ATOM 0 HA SER A 80 13.034 4.972 -7.422 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.985 4.039 -9.617 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.187 5.669 -10.229 1.00 0.00 H new ATOM 0 HG SER A 80 13.875 4.243 -10.954 1.00 0.00 H new ATOM 1275 N PRO A 81 13.422 7.560 -7.173 1.00 0.00 N ATOM 1276 CA PRO A 81 13.605 9.005 -7.049 1.00 0.00 C ATOM 1277 C PRO A 81 14.100 9.694 -8.328 1.00 0.00 C ATOM 1278 O PRO A 81 14.050 10.911 -8.445 1.00 0.00 O ATOM 1279 CB PRO A 81 14.539 9.161 -5.844 1.00 0.00 C ATOM 1280 CG PRO A 81 15.193 7.794 -5.650 1.00 0.00 C ATOM 1281 CD PRO A 81 14.256 6.787 -6.273 1.00 0.00 C ATOM 0 HA PRO A 81 12.657 9.520 -6.894 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.288 9.931 -6.026 1.00 0.00 H new ATOM 0 HB3 PRO A 81 13.984 9.460 -4.954 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.173 7.760 -6.126 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.345 7.582 -4.592 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.807 6.015 -6.810 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.657 6.283 -5.515 1.00 0.00 H new ATOM 1289 N ARG A 82 14.529 8.843 -9.287 1.00 0.00 N ATOM 1290 CA ARG A 82 14.980 9.343 -10.584 1.00 0.00 C ATOM 1291 C ARG A 82 13.758 9.755 -11.453 1.00 0.00 C ATOM 1292 O ARG A 82 13.867 10.608 -12.324 1.00 0.00 O ATOM 1293 CB ARG A 82 15.916 8.313 -11.241 1.00 0.00 C ATOM 1294 CG ARG A 82 15.208 7.081 -11.818 1.00 0.00 C ATOM 1295 CD ARG A 82 14.905 7.209 -13.309 1.00 0.00 C ATOM 1296 NE ARG A 82 16.028 6.701 -14.093 1.00 0.00 N ATOM 1297 CZ ARG A 82 16.063 5.474 -14.661 1.00 0.00 C ATOM 1298 NH1 ARG A 82 15.045 4.625 -14.566 1.00 0.00 N ATOM 1299 NH2 ARG A 82 17.145 5.108 -15.333 1.00 0.00 N ATOM 0 H ARG A 82 14.569 7.829 -9.182 1.00 0.00 H new ATOM 0 HA ARG A 82 15.571 10.251 -10.465 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.471 8.804 -12.040 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.646 7.983 -10.502 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.830 6.201 -11.654 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.276 6.918 -11.276 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.000 6.654 -13.553 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.717 8.252 -13.562 1.00 0.00 H new ATOM 0 HE ARG A 82 16.836 7.310 -14.220 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.205 4.892 -14.053 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.104 3.707 -15.006 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.935 5.748 -15.416 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.188 4.186 -15.768 1.00 0.00 H new ATOM 1313 N ILE A 83 12.602 9.110 -11.146 1.00 0.00 N ATOM 1314 CA ILE A 83 11.325 9.372 -11.810 1.00 0.00 C ATOM 1315 C ILE A 83 10.187 9.642 -10.803 1.00 0.00 C ATOM 1316 O ILE A 83 9.788 8.828 -9.969 1.00 0.00 O ATOM 1317 CB ILE A 83 10.910 8.331 -12.834 1.00 0.00 C ATOM 1318 CG1 ILE A 83 11.094 6.908 -12.334 1.00 0.00 C ATOM 1319 CG2 ILE A 83 11.621 8.558 -14.168 1.00 0.00 C ATOM 1320 CD1 ILE A 83 10.611 5.963 -13.422 1.00 0.00 C ATOM 0 H ILE A 83 12.544 8.391 -10.424 1.00 0.00 H new ATOM 0 HA ILE A 83 11.507 10.283 -12.380 1.00 0.00 H new ATOM 0 HB ILE A 83 9.840 8.458 -12.997 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.142 6.718 -12.102 1.00 0.00 H new ATOM 0 HG13 ILE A 83 10.530 6.751 -11.415 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.305 7.798 -14.883 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.367 9.546 -14.552 1.00 0.00 H new ATOM 0 HG23 ILE A 83 12.699 8.492 -14.021 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.732 4.932 -13.089 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.559 6.156 -13.631 1.00 0.00 H new ATOM 0 HD13 ILE A 83 11.196 6.122 -14.328 1.00 0.00 H new ATOM 1332 N THR A 84 9.698 10.878 -11.032 1.00 0.00 N ATOM 1333 CA THR A 84 8.614 11.468 -10.275 1.00 0.00 C ATOM 1334 C THR A 84 7.633 12.090 -11.275 1.00 0.00 C ATOM 1335 O THR A 84 7.991 12.569 -12.345 1.00 0.00 O ATOM 1336 CB THR A 84 9.171 12.609 -9.367 1.00 0.00 C ATOM 1337 OG1 THR A 84 10.545 12.562 -8.854 1.00 0.00 O ATOM 1338 CG2 THR A 84 8.277 12.678 -8.118 1.00 0.00 C ATOM 0 H THR A 84 10.062 11.490 -11.762 1.00 0.00 H new ATOM 0 HA THR A 84 8.130 10.710 -9.658 1.00 0.00 H new ATOM 0 HB THR A 84 9.173 13.457 -10.052 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.718 13.357 -8.308 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.636 13.467 -7.457 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.251 12.894 -8.416 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.309 11.723 -7.594 1.00 0.00 H new ATOM 1346 N PHE A 85 6.380 12.043 -10.811 1.00 0.00 N ATOM 1347 CA PHE A 85 5.217 12.550 -11.551 1.00 0.00 C ATOM 1348 C PHE A 85 4.395 13.394 -10.561 1.00 0.00 C ATOM 1349 O PHE A 85 4.452 13.126 -9.373 1.00 0.00 O ATOM 1350 CB PHE A 85 4.471 11.356 -12.177 1.00 0.00 C ATOM 1351 CG PHE A 85 5.297 10.775 -13.300 1.00 0.00 C ATOM 1352 CD1 PHE A 85 6.312 9.864 -13.024 1.00 0.00 C ATOM 1353 CD2 PHE A 85 5.107 11.184 -14.619 1.00 0.00 C ATOM 1354 CE1 PHE A 85 7.154 9.419 -14.032 1.00 0.00 C ATOM 1355 CE2 PHE A 85 5.948 10.724 -15.632 1.00 0.00 C ATOM 1356 CZ PHE A 85 6.985 9.846 -15.332 1.00 0.00 C ATOM 0 H PHE A 85 6.141 11.648 -9.902 1.00 0.00 H new ATOM 0 HA PHE A 85 5.473 13.197 -12.390 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.282 10.595 -11.420 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.501 11.678 -12.555 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.445 9.500 -12.016 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.302 11.863 -14.858 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.951 8.730 -13.796 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.794 11.050 -16.650 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.651 9.502 -16.110 1.00 0.00 H new ATOM 1366 N PRO A 86 3.635 14.420 -11.057 1.00 0.00 N ATOM 1367 CA PRO A 86 2.850 15.326 -10.194 1.00 0.00 C ATOM 1368 C PRO A 86 1.670 14.670 -9.456 1.00 0.00 C ATOM 1369 O PRO A 86 0.955 15.317 -8.704 1.00 0.00 O ATOM 1370 CB PRO A 86 2.323 16.398 -11.166 1.00 0.00 C ATOM 1371 CG PRO A 86 2.357 15.736 -12.546 1.00 0.00 C ATOM 1372 CD PRO A 86 3.498 14.724 -12.481 1.00 0.00 C ATOM 0 HA PRO A 86 3.482 15.702 -9.389 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.312 16.707 -10.902 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.946 17.292 -11.142 1.00 0.00 H new ATOM 0 HG2 PRO A 86 1.409 15.246 -12.770 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.529 16.472 -13.331 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.268 13.828 -13.058 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.420 15.138 -12.889 1.00 0.00 H new ATOM 1380 N THR A 87 1.504 13.370 -9.727 1.00 0.00 N ATOM 1381 CA THR A 87 0.477 12.571 -9.090 1.00 0.00 C ATOM 1382 C THR A 87 0.766 11.135 -9.478 1.00 0.00 C ATOM 1383 O THR A 87 1.482 10.877 -10.439 1.00 0.00 O ATOM 1384 CB THR A 87 -0.983 12.874 -9.500 1.00 0.00 C ATOM 1385 OG1 THR A 87 -1.980 11.913 -9.031 1.00 0.00 O ATOM 1386 CG2 THR A 87 -1.080 13.272 -10.993 1.00 0.00 C ATOM 0 H THR A 87 2.080 12.854 -10.392 1.00 0.00 H new ATOM 0 HA THR A 87 0.526 12.793 -8.024 1.00 0.00 H new ATOM 0 HB THR A 87 -1.279 13.760 -8.938 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.718 12.392 -8.599 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.120 13.478 -11.248 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.479 14.164 -11.172 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.710 12.455 -11.612 1.00 0.00 H new ATOM 1394 N LEU A 88 0.164 10.207 -8.701 1.00 0.00 N ATOM 1395 CA LEU A 88 0.393 8.822 -9.055 1.00 0.00 C ATOM 1396 C LEU A 88 -0.253 8.536 -10.401 1.00 0.00 C ATOM 1397 O LEU A 88 0.275 7.724 -11.127 1.00 0.00 O ATOM 1398 CB LEU A 88 -0.251 7.786 -8.129 1.00 0.00 C ATOM 1399 CG LEU A 88 0.375 7.593 -6.759 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -0.456 6.552 -6.045 1.00 0.00 C ATOM 1401 CD2 LEU A 88 1.791 7.047 -6.839 1.00 0.00 C ATOM 0 H LEU A 88 -0.433 10.384 -7.893 1.00 0.00 H new ATOM 0 HA LEU A 88 1.478 8.723 -9.016 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.295 8.064 -7.987 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.244 6.824 -8.642 1.00 0.00 H new ATOM 0 HG LEU A 88 0.407 8.558 -6.253 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.045 6.377 -5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.483 6.905 -5.956 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.440 5.622 -6.613 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.192 6.928 -5.833 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.780 6.080 -7.342 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.417 7.741 -7.399 1.00 0.00 H new ATOM 1413 N GLN A 89 -1.379 9.214 -10.735 1.00 0.00 N ATOM 1414 CA GLN A 89 -2.023 8.840 -12.002 1.00 0.00 C ATOM 1415 C GLN A 89 -1.173 9.154 -13.236 1.00 0.00 C ATOM 1416 O GLN A 89 -1.243 8.454 -14.230 1.00 0.00 O ATOM 1417 CB GLN A 89 -3.498 9.217 -12.039 1.00 0.00 C ATOM 1418 CG GLN A 89 -3.831 10.618 -12.516 1.00 0.00 C ATOM 1419 CD GLN A 89 -4.794 11.342 -11.575 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -5.883 11.762 -11.937 1.00 0.00 O ATOM 1421 NE2 GLN A 89 -4.300 11.440 -10.339 1.00 0.00 N ATOM 0 H GLN A 89 -1.823 9.957 -10.195 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.061 7.752 -12.051 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -4.015 8.506 -12.684 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -3.906 9.093 -11.036 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.911 11.196 -12.605 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -4.272 10.564 -13.511 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.378 11.059 -10.127 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.845 11.896 -9.607 1.00 0.00 H new ATOM 1430 N ALA A 90 -0.342 10.205 -13.087 1.00 0.00 N ATOM 1431 CA ALA A 90 0.590 10.580 -14.159 1.00 0.00 C ATOM 1432 C ALA A 90 1.750 9.547 -14.244 1.00 0.00 C ATOM 1433 O ALA A 90 2.461 9.436 -15.235 1.00 0.00 O ATOM 1434 CB ALA A 90 1.157 11.982 -13.886 1.00 0.00 C ATOM 0 H ALA A 90 -0.299 10.794 -12.255 1.00 0.00 H new ATOM 0 HA ALA A 90 0.055 10.588 -15.109 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.848 12.257 -14.683 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.341 12.704 -13.848 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.685 11.982 -12.932 1.00 0.00 H new ATOM 1440 N LEU A 91 1.885 8.812 -13.127 1.00 0.00 N ATOM 1441 CA LEU A 91 2.847 7.734 -12.953 1.00 0.00 C ATOM 1442 C LEU A 91 2.227 6.442 -13.537 1.00 0.00 C ATOM 1443 O LEU A 91 2.896 5.667 -14.206 1.00 0.00 O ATOM 1444 CB LEU A 91 3.247 7.722 -11.456 1.00 0.00 C ATOM 1445 CG LEU A 91 3.647 6.397 -10.783 1.00 0.00 C ATOM 1446 CD1 LEU A 91 4.462 6.639 -9.507 1.00 0.00 C ATOM 1447 CD2 LEU A 91 2.457 5.511 -10.402 1.00 0.00 C ATOM 0 H LEU A 91 1.306 8.964 -12.301 1.00 0.00 H new ATOM 0 HA LEU A 91 3.783 7.853 -13.499 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.082 8.413 -11.337 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.410 8.134 -10.892 1.00 0.00 H new ATOM 0 HG LEU A 91 4.240 5.880 -11.538 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.727 5.682 -9.058 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.370 7.188 -9.754 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.868 7.219 -8.801 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.820 4.596 -9.933 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.814 6.046 -9.703 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.889 5.259 -11.298 1.00 0.00 H new ATOM 1459 N VAL A 92 0.901 6.288 -13.302 1.00 0.00 N ATOM 1460 CA VAL A 92 0.150 5.138 -13.765 1.00 0.00 C ATOM 1461 C VAL A 92 -0.264 5.318 -15.257 1.00 0.00 C ATOM 1462 O VAL A 92 -0.777 4.390 -15.865 1.00 0.00 O ATOM 1463 CB VAL A 92 -1.079 4.893 -12.834 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -1.458 3.432 -12.756 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -0.906 5.250 -11.352 1.00 0.00 C ATOM 0 H VAL A 92 0.341 6.966 -12.786 1.00 0.00 H new ATOM 0 HA VAL A 92 0.781 4.251 -13.716 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.812 5.545 -13.310 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.318 3.314 -12.097 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.712 3.068 -13.752 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.618 2.859 -12.363 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.830 5.033 -10.815 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.093 4.660 -10.928 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.672 6.310 -11.258 1.00 0.00 H new ATOM 1475 N GLN A 93 -0.004 6.540 -15.808 1.00 0.00 N ATOM 1476 CA GLN A 93 -0.335 6.873 -17.199 1.00 0.00 C ATOM 1477 C GLN A 93 0.898 6.560 -18.071 1.00 0.00 C ATOM 1478 O GLN A 93 0.838 5.871 -19.086 1.00 0.00 O ATOM 1479 CB GLN A 93 -0.814 8.343 -17.393 1.00 0.00 C ATOM 1480 CG GLN A 93 0.265 9.395 -17.705 1.00 0.00 C ATOM 1481 CD GLN A 93 -0.279 10.825 -17.704 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -1.472 11.080 -17.805 1.00 0.00 O ATOM 1483 NE2 GLN A 93 0.694 11.736 -17.575 1.00 0.00 N ATOM 0 H GLN A 93 0.436 7.304 -15.295 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.186 6.264 -17.504 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.544 8.357 -18.202 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -1.336 8.651 -16.487 1.00 0.00 H new ATOM 0 HG2 GLN A 93 1.066 9.316 -16.970 1.00 0.00 H new ATOM 0 HG3 GLN A 93 0.704 9.180 -18.679 1.00 0.00 H new ATOM 0 HE21 GLN A 93 1.666 11.437 -17.497 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.463 12.729 -17.555 1.00 0.00 H new ATOM 1492 N HIS A 94 2.033 7.102 -17.568 1.00 0.00 N ATOM 1493 CA HIS A 94 3.321 6.947 -18.227 1.00 0.00 C ATOM 1494 C HIS A 94 3.669 5.462 -18.327 1.00 0.00 C ATOM 1495 O HIS A 94 4.092 4.974 -19.366 1.00 0.00 O ATOM 1496 CB HIS A 94 4.399 7.709 -17.437 1.00 0.00 C ATOM 1497 CG HIS A 94 5.758 7.528 -18.082 1.00 0.00 C ATOM 1498 ND1 HIS A 94 6.873 7.213 -17.392 1.00 0.00 N ATOM 1499 CD2 HIS A 94 6.098 7.637 -19.441 1.00 0.00 C ATOM 1500 CE1 HIS A 94 7.859 7.134 -18.300 1.00 0.00 C ATOM 1501 NE2 HIS A 94 7.421 7.383 -19.547 1.00 0.00 N ATOM 0 H HIS A 94 2.067 7.648 -16.707 1.00 0.00 H new ATOM 0 HA HIS A 94 3.273 7.360 -19.234 1.00 0.00 H new ATOM 0 HB2 HIS A 94 4.147 8.769 -17.397 1.00 0.00 H new ATOM 0 HB3 HIS A 94 4.427 7.349 -16.409 1.00 0.00 H new ATOM 0 HD2 HIS A 94 5.426 7.879 -20.251 1.00 0.00 H new ATOM 0 HE1 HIS A 94 8.885 6.898 -18.057 1.00 0.00 H new ATOM 0 HE2 HIS A 94 7.977 7.381 -20.402 1.00 0.00 H new ATOM 1509 N TYR A 95 3.421 4.787 -17.188 1.00 0.00 N ATOM 1510 CA TYR A 95 3.701 3.364 -17.119 1.00 0.00 C ATOM 1511 C TYR A 95 2.655 2.525 -17.884 1.00 0.00 C ATOM 1512 O TYR A 95 2.936 1.382 -18.230 1.00 0.00 O ATOM 1513 CB TYR A 95 3.831 2.913 -15.665 1.00 0.00 C ATOM 1514 CG TYR A 95 4.868 3.616 -14.831 1.00 0.00 C ATOM 1515 CD1 TYR A 95 5.902 4.395 -15.347 1.00 0.00 C ATOM 1516 CD2 TYR A 95 4.778 3.461 -13.460 1.00 0.00 C ATOM 1517 CE1 TYR A 95 6.822 5.004 -14.501 1.00 0.00 C ATOM 1518 CE2 TYR A 95 5.686 4.054 -12.611 1.00 0.00 C ATOM 1519 CZ TYR A 95 6.721 4.845 -13.115 1.00 0.00 C ATOM 1520 OH TYR A 95 7.639 5.448 -12.260 1.00 0.00 O ATOM 0 H TYR A 95 3.040 5.199 -16.336 1.00 0.00 H new ATOM 0 HA TYR A 95 4.656 3.192 -17.616 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.862 3.039 -15.181 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.054 1.846 -15.658 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.990 4.527 -16.415 1.00 0.00 H new ATOM 0 HD2 TYR A 95 3.980 2.863 -13.046 1.00 0.00 H new ATOM 0 HE1 TYR A 95 7.619 5.603 -14.916 1.00 0.00 H new ATOM 0 HE2 TYR A 95 5.597 3.906 -11.545 1.00 0.00 H new ATOM 0 HH TYR A 95 7.208 5.643 -11.402 1.00 0.00 H new ATOM 1530 N SER A 96 1.454 3.124 -18.150 1.00 0.00 N ATOM 1531 CA SER A 96 0.429 2.384 -18.912 1.00 0.00 C ATOM 1532 C SER A 96 0.961 1.979 -20.296 1.00 0.00 C ATOM 1533 O SER A 96 0.468 1.020 -20.873 1.00 0.00 O ATOM 1534 CB SER A 96 -0.916 3.170 -19.125 1.00 0.00 C ATOM 1535 OG SER A 96 -1.877 3.493 -18.040 1.00 0.00 O ATOM 0 H SER A 96 1.191 4.066 -17.861 1.00 0.00 H new ATOM 0 HA SER A 96 0.210 1.511 -18.297 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.642 4.122 -19.580 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.479 2.610 -19.872 1.00 0.00 H new ATOM 0 HG SER A 96 -1.386 3.668 -17.210 1.00 0.00 H new ATOM 1541 N LYS A 97 1.957 2.748 -20.795 1.00 0.00 N ATOM 1542 CA LYS A 97 2.569 2.422 -22.089 1.00 0.00 C ATOM 1543 C LYS A 97 4.040 1.996 -21.955 1.00 0.00 C ATOM 1544 O LYS A 97 4.483 1.094 -22.656 1.00 0.00 O ATOM 1545 CB LYS A 97 2.446 3.620 -23.047 1.00 0.00 C ATOM 1546 CG LYS A 97 1.096 3.704 -23.774 1.00 0.00 C ATOM 1547 CD LYS A 97 -0.107 4.006 -22.872 1.00 0.00 C ATOM 1548 CE LYS A 97 -1.363 4.338 -23.687 1.00 0.00 C ATOM 1549 NZ LYS A 97 -2.515 4.695 -22.860 1.00 0.00 N ATOM 0 H LYS A 97 2.340 3.573 -20.332 1.00 0.00 H new ATOM 0 HA LYS A 97 2.027 1.569 -22.497 1.00 0.00 H new ATOM 0 HB2 LYS A 97 2.601 4.540 -22.483 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.243 3.562 -23.788 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.160 4.477 -24.540 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.918 2.760 -24.288 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.306 3.146 -22.232 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.132 4.843 -22.216 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.141 5.164 -24.363 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.622 3.480 -24.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.329 4.907 -23.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.752 3.900 -22.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.285 5.532 -22.287 1.00 0.00 H new ATOM 1563 N LYS A 98 4.762 2.647 -21.022 1.00 0.00 N ATOM 1564 CA LYS A 98 6.164 2.332 -20.845 1.00 0.00 C ATOM 1565 C LYS A 98 6.528 2.566 -19.366 1.00 0.00 C ATOM 1566 O LYS A 98 6.694 3.690 -18.909 1.00 0.00 O ATOM 1567 CB LYS A 98 6.913 3.258 -21.819 1.00 0.00 C ATOM 1568 CG LYS A 98 8.270 2.704 -22.210 1.00 0.00 C ATOM 1569 CD LYS A 98 9.408 3.268 -21.366 1.00 0.00 C ATOM 1570 CE LYS A 98 10.628 2.356 -21.438 1.00 0.00 C ATOM 1571 NZ LYS A 98 11.856 3.030 -21.025 1.00 0.00 N ATOM 0 H LYS A 98 4.397 3.371 -20.403 1.00 0.00 H new ATOM 0 HA LYS A 98 6.426 1.297 -21.063 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.310 3.403 -22.715 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.042 4.238 -21.359 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.255 1.619 -22.112 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.459 2.927 -23.260 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.671 4.265 -21.719 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.084 3.371 -20.330 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.464 1.485 -20.803 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.744 1.990 -22.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.474 2.354 -20.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 12.348 3.400 -21.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 11.622 3.816 -20.386 1.00 0.00 H new ATOM 1585 N GLY A 99 6.646 1.406 -18.675 1.00 0.00 N ATOM 1586 CA GLY A 99 6.961 1.298 -17.244 1.00 0.00 C ATOM 1587 C GLY A 99 8.189 2.103 -16.825 1.00 0.00 C ATOM 1588 O GLY A 99 8.299 2.615 -15.720 1.00 0.00 O ATOM 0 H GLY A 99 6.519 0.496 -19.119 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.101 1.635 -16.665 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.122 0.249 -16.994 1.00 0.00 H new ATOM 1592 N ASP A 100 9.114 2.128 -17.799 1.00 0.00 N ATOM 1593 CA ASP A 100 10.371 2.876 -17.705 1.00 0.00 C ATOM 1594 C ASP A 100 11.268 2.519 -16.487 1.00 0.00 C ATOM 1595 O ASP A 100 12.191 3.248 -16.144 1.00 0.00 O ATOM 1596 CB ASP A 100 10.016 4.380 -17.744 1.00 0.00 C ATOM 1597 CG ASP A 100 11.215 5.271 -18.100 1.00 0.00 C ATOM 1598 OD1 ASP A 100 11.634 5.245 -19.256 1.00 0.00 O ATOM 1599 OD2 ASP A 100 11.709 5.978 -17.222 1.00 0.00 O ATOM 0 H ASP A 100 9.006 1.624 -18.679 1.00 0.00 H new ATOM 0 HA ASP A 100 10.994 2.592 -18.553 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.222 4.541 -18.473 1.00 0.00 H new ATOM 0 HB3 ASP A 100 9.623 4.680 -16.773 1.00 0.00 H new ATOM 1604 N GLY A 101 10.973 1.367 -15.861 1.00 0.00 N ATOM 1605 CA GLY A 101 11.776 0.977 -14.701 1.00 0.00 C ATOM 1606 C GLY A 101 11.098 -0.056 -13.797 1.00 0.00 C ATOM 1607 O GLY A 101 11.728 -0.633 -12.919 1.00 0.00 O ATOM 0 H GLY A 101 10.226 0.724 -16.123 1.00 0.00 H new ATOM 0 HA2 GLY A 101 12.727 0.573 -15.049 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.004 1.866 -14.113 1.00 0.00 H new ATOM 1611 N LEU A 102 9.791 -0.270 -14.062 1.00 0.00 N ATOM 1612 CA LEU A 102 9.014 -1.230 -13.286 1.00 0.00 C ATOM 1613 C LEU A 102 9.440 -2.685 -13.562 1.00 0.00 C ATOM 1614 O LEU A 102 9.224 -3.570 -12.743 1.00 0.00 O ATOM 1615 CB LEU A 102 7.528 -1.071 -13.672 1.00 0.00 C ATOM 1616 CG LEU A 102 6.783 0.022 -12.899 1.00 0.00 C ATOM 1617 CD1 LEU A 102 5.338 0.078 -13.385 1.00 0.00 C ATOM 1618 CD2 LEU A 102 6.765 -0.220 -11.384 1.00 0.00 C ATOM 0 H LEU A 102 9.269 0.206 -14.797 1.00 0.00 H new ATOM 0 HA LEU A 102 9.183 -1.029 -12.228 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.464 -0.852 -14.738 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.020 -2.022 -13.511 1.00 0.00 H new ATOM 0 HG LEU A 102 7.312 0.957 -13.083 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.801 0.854 -12.840 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.321 0.306 -14.451 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.858 -0.885 -13.212 1.00 0.00 H new ATOM 0 HD21 LEU A 102 6.223 0.588 -10.893 1.00 0.00 H new ATOM 0 HD22 LEU A 102 6.272 -1.169 -11.173 1.00 0.00 H new ATOM 0 HD23 LEU A 102 7.788 -0.252 -11.008 1.00 0.00 H new ATOM 1630 N CYS A 103 10.016 -2.863 -14.770 1.00 0.00 N ATOM 1631 CA CYS A 103 10.493 -4.140 -15.314 1.00 0.00 C ATOM 1632 C CYS A 103 9.367 -4.861 -16.085 1.00 0.00 C ATOM 1633 O CYS A 103 9.600 -5.606 -17.027 1.00 0.00 O ATOM 1634 CB CYS A 103 11.152 -5.069 -14.278 1.00 0.00 C ATOM 1635 SG CYS A 103 10.031 -6.208 -13.421 1.00 0.00 S ATOM 0 H CYS A 103 10.165 -2.086 -15.414 1.00 0.00 H new ATOM 0 HA CYS A 103 11.293 -3.884 -16.009 1.00 0.00 H new ATOM 0 HB2 CYS A 103 11.922 -5.655 -14.780 1.00 0.00 H new ATOM 0 HB3 CYS A 103 11.655 -4.453 -13.532 1.00 0.00 H new ATOM 0 HG CYS A 103 10.708 -6.933 -12.580 1.00 0.00 H new ATOM 1641 N GLN A 104 8.139 -4.566 -15.610 1.00 0.00 N ATOM 1642 CA GLN A 104 6.903 -5.087 -16.149 1.00 0.00 C ATOM 1643 C GLN A 104 5.906 -3.953 -15.997 1.00 0.00 C ATOM 1644 O GLN A 104 5.329 -3.688 -14.948 1.00 0.00 O ATOM 1645 CB GLN A 104 6.446 -6.333 -15.358 1.00 0.00 C ATOM 1646 CG GLN A 104 7.271 -7.599 -15.643 1.00 0.00 C ATOM 1647 CD GLN A 104 6.968 -8.152 -17.043 1.00 0.00 C ATOM 1648 OE1 GLN A 104 7.439 -7.652 -18.054 1.00 0.00 O ATOM 1649 NE2 GLN A 104 6.152 -9.215 -17.030 1.00 0.00 N ATOM 0 H GLN A 104 7.995 -3.939 -14.818 1.00 0.00 H new ATOM 0 HA GLN A 104 7.006 -5.404 -17.187 1.00 0.00 H new ATOM 0 HB2 GLN A 104 6.498 -6.112 -14.292 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.400 -6.534 -15.591 1.00 0.00 H new ATOM 0 HG2 GLN A 104 8.334 -7.371 -15.561 1.00 0.00 H new ATOM 0 HG3 GLN A 104 7.049 -8.358 -14.893 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.799 -9.576 -16.144 1.00 0.00 H new ATOM 0 HE22 GLN A 104 5.884 -9.663 -17.906 1.00 0.00 H new ATOM 1658 N LYS A 105 5.785 -3.314 -17.166 1.00 0.00 N ATOM 1659 CA LYS A 105 4.938 -2.180 -17.371 1.00 0.00 C ATOM 1660 C LYS A 105 3.471 -2.586 -17.268 1.00 0.00 C ATOM 1661 O LYS A 105 3.085 -3.733 -17.464 1.00 0.00 O ATOM 1662 CB LYS A 105 5.444 -1.444 -18.604 1.00 0.00 C ATOM 1663 CG LYS A 105 5.316 -2.047 -20.007 1.00 0.00 C ATOM 1664 CD LYS A 105 3.910 -2.342 -20.472 1.00 0.00 C ATOM 1665 CE LYS A 105 3.037 -1.105 -20.409 1.00 0.00 C ATOM 1666 NZ LYS A 105 1.943 -1.225 -21.364 1.00 0.00 N ATOM 0 H LYS A 105 6.295 -3.594 -18.004 1.00 0.00 H new ATOM 0 HA LYS A 105 4.986 -1.425 -16.586 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.937 -0.479 -18.627 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.503 -1.244 -18.441 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.777 -1.363 -20.719 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.890 -2.973 -20.037 1.00 0.00 H new ATOM 0 HD2 LYS A 105 3.935 -2.720 -21.494 1.00 0.00 H new ATOM 0 HD3 LYS A 105 3.477 -3.127 -19.852 1.00 0.00 H new ATOM 0 HE2 LYS A 105 2.640 -0.979 -19.401 1.00 0.00 H new ATOM 0 HE3 LYS A 105 3.630 -0.218 -20.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 1.376 -0.353 -21.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 2.330 -1.376 -22.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 1.341 -2.032 -21.103 1.00 0.00 H new ATOM 1680 N LEU A 106 2.704 -1.545 -16.913 1.00 0.00 N ATOM 1681 CA LEU A 106 1.285 -1.715 -16.644 1.00 0.00 C ATOM 1682 C LEU A 106 0.457 -2.368 -17.769 1.00 0.00 C ATOM 1683 O LEU A 106 0.399 -1.921 -18.908 1.00 0.00 O ATOM 1684 CB LEU A 106 0.601 -0.454 -16.080 1.00 0.00 C ATOM 1685 CG LEU A 106 1.492 0.474 -15.235 1.00 0.00 C ATOM 1686 CD1 LEU A 106 0.732 1.721 -14.802 1.00 0.00 C ATOM 1687 CD2 LEU A 106 2.059 -0.189 -13.988 1.00 0.00 C ATOM 0 H LEU A 106 3.046 -0.590 -16.809 1.00 0.00 H new ATOM 0 HA LEU A 106 1.292 -2.458 -15.847 1.00 0.00 H new ATOM 0 HB2 LEU A 106 0.199 0.121 -16.914 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.247 -0.766 -15.470 1.00 0.00 H new ATOM 0 HG LEU A 106 2.324 0.733 -15.889 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.387 2.358 -14.207 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.398 2.268 -15.684 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.133 1.431 -14.205 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.676 0.526 -13.444 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.241 -0.522 -13.349 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.667 -1.047 -14.276 1.00 0.00 H new ATOM 1699 N THR A 107 -0.181 -3.468 -17.308 1.00 0.00 N ATOM 1700 CA THR A 107 -1.066 -4.315 -18.091 1.00 0.00 C ATOM 1701 C THR A 107 -2.510 -4.009 -17.713 1.00 0.00 C ATOM 1702 O THR A 107 -3.228 -3.327 -18.431 1.00 0.00 O ATOM 1703 CB THR A 107 -0.692 -5.825 -17.926 1.00 0.00 C ATOM 1704 OG1 THR A 107 -1.259 -6.695 -16.887 1.00 0.00 O ATOM 1705 CG2 THR A 107 0.851 -5.946 -17.959 1.00 0.00 C ATOM 0 H THR A 107 -0.080 -3.789 -16.345 1.00 0.00 H new ATOM 0 HA THR A 107 -0.947 -4.099 -19.153 1.00 0.00 H new ATOM 0 HB THR A 107 -1.232 -6.254 -18.770 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.607 -7.386 -16.647 1.00 0.00 H new ATOM 0 HG21 THR A 107 1.136 -6.992 -17.846 1.00 0.00 H new ATOM 0 HG22 THR A 107 1.225 -5.569 -18.911 1.00 0.00 H new ATOM 0 HG23 THR A 107 1.279 -5.363 -17.144 1.00 0.00 H new ATOM 1713 N LEU A 108 -2.870 -4.543 -16.533 1.00 0.00 N ATOM 1714 CA LEU A 108 -4.214 -4.363 -15.993 1.00 0.00 C ATOM 1715 C LEU A 108 -4.081 -4.161 -14.477 1.00 0.00 C ATOM 1716 O LEU A 108 -3.269 -4.830 -13.862 1.00 0.00 O ATOM 1717 CB LEU A 108 -5.056 -5.636 -16.230 1.00 0.00 C ATOM 1718 CG LEU A 108 -5.048 -6.177 -17.674 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -5.059 -7.708 -17.709 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -6.214 -5.585 -18.470 1.00 0.00 C ATOM 0 H LEU A 108 -2.249 -5.098 -15.944 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.696 -3.513 -16.476 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -4.693 -6.420 -15.565 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.087 -5.427 -15.944 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.118 -5.862 -18.147 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.053 -8.048 -18.744 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -4.176 -8.090 -17.196 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -5.956 -8.077 -17.211 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -6.196 -5.976 -19.487 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.156 -5.858 -17.993 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.122 -4.499 -18.497 1.00 0.00 H new ATOM 1732 N PRO A 109 -4.858 -3.232 -13.861 1.00 0.00 N ATOM 1733 CA PRO A 109 -4.771 -3.060 -12.413 1.00 0.00 C ATOM 1734 C PRO A 109 -5.747 -4.029 -11.706 1.00 0.00 C ATOM 1735 O PRO A 109 -6.898 -3.709 -11.441 1.00 0.00 O ATOM 1736 CB PRO A 109 -5.183 -1.605 -12.219 1.00 0.00 C ATOM 1737 CG PRO A 109 -6.147 -1.318 -13.374 1.00 0.00 C ATOM 1738 CD PRO A 109 -5.714 -2.248 -14.517 1.00 0.00 C ATOM 0 HA PRO A 109 -3.787 -3.275 -11.996 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -5.666 -1.455 -11.253 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -4.319 -0.941 -12.250 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -7.179 -1.512 -13.081 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -6.094 -0.273 -13.678 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -6.572 -2.720 -14.995 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.176 -1.704 -15.293 1.00 0.00 H new ATOM 1746 N CYS A 110 -5.183 -5.222 -11.413 1.00 0.00 N ATOM 1747 CA CYS A 110 -5.861 -6.341 -10.738 1.00 0.00 C ATOM 1748 C CYS A 110 -7.277 -6.618 -11.319 1.00 0.00 C ATOM 1749 O CYS A 110 -7.523 -6.378 -12.495 1.00 0.00 O ATOM 1750 CB CYS A 110 -5.827 -6.112 -9.217 1.00 0.00 C ATOM 1751 SG CYS A 110 -6.237 -7.527 -8.155 1.00 0.00 S ATOM 0 H CYS A 110 -4.214 -5.435 -11.649 1.00 0.00 H new ATOM 0 HA CYS A 110 -5.320 -7.266 -10.936 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -4.828 -5.767 -8.950 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -6.517 -5.302 -8.982 1.00 0.00 H new ATOM 0 HG CYS A 110 -7.127 -7.168 -7.278 1.00 0.00 H new ATOM 1757 N VAL A 111 -8.172 -7.134 -10.437 1.00 0.00 N ATOM 1758 CA VAL A 111 -9.561 -7.462 -10.782 1.00 0.00 C ATOM 1759 C VAL A 111 -10.427 -7.187 -9.517 1.00 0.00 C ATOM 1760 O VAL A 111 -10.635 -6.041 -9.140 1.00 0.00 O ATOM 1761 CB VAL A 111 -9.683 -8.908 -11.343 1.00 0.00 C ATOM 1762 CG1 VAL A 111 -11.094 -9.218 -11.866 1.00 0.00 C ATOM 1763 CG2 VAL A 111 -8.689 -9.178 -12.479 1.00 0.00 C ATOM 0 H VAL A 111 -7.939 -7.331 -9.464 1.00 0.00 H new ATOM 0 HA VAL A 111 -9.930 -6.836 -11.594 1.00 0.00 H new ATOM 0 HB VAL A 111 -9.458 -9.556 -10.496 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -11.125 -10.239 -12.246 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -11.814 -9.111 -11.055 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -11.345 -8.524 -12.668 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -8.814 -10.200 -12.836 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -8.874 -8.482 -13.297 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -7.672 -9.044 -12.112 1.00 0.00 H new ATOM 1773 N ASN A 112 -10.914 -8.282 -8.885 1.00 0.00 N ATOM 1774 CA ASN A 112 -11.736 -8.209 -7.675 1.00 0.00 C ATOM 1775 C ASN A 112 -11.937 -9.623 -7.085 1.00 0.00 C ATOM 1776 O ASN A 112 -12.552 -10.503 -7.673 1.00 0.00 O ATOM 1777 CB ASN A 112 -13.053 -7.424 -7.864 1.00 0.00 C ATOM 1778 CG ASN A 112 -13.855 -7.815 -9.112 1.00 0.00 C ATOM 1779 OD1 ASN A 112 -13.784 -8.925 -9.618 1.00 0.00 O ATOM 1780 ND2 ASN A 112 -14.621 -6.817 -9.578 1.00 0.00 N ATOM 0 H ASN A 112 -10.743 -9.235 -9.207 1.00 0.00 H new ATOM 0 HA ASN A 112 -11.190 -7.617 -6.941 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -13.679 -7.573 -6.984 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -12.822 -6.360 -7.915 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -15.195 -6.960 -10.409 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -14.629 -5.915 -9.102 1.00 0.00 H new ATOM 1787 N LEU A 113 -11.347 -9.753 -5.879 1.00 0.00 N ATOM 1788 CA LEU A 113 -11.359 -10.982 -5.096 1.00 0.00 C ATOM 1789 C LEU A 113 -12.422 -10.891 -3.985 1.00 0.00 C ATOM 1790 O LEU A 113 -12.647 -9.833 -3.409 1.00 0.00 O ATOM 1791 CB LEU A 113 -9.947 -11.129 -4.505 1.00 0.00 C ATOM 1792 CG LEU A 113 -9.681 -12.436 -3.741 1.00 0.00 C ATOM 1793 CD1 LEU A 113 -9.877 -13.679 -4.618 1.00 0.00 C ATOM 1794 CD2 LEU A 113 -8.259 -12.414 -3.168 1.00 0.00 C ATOM 0 H LEU A 113 -10.845 -8.990 -5.425 1.00 0.00 H new ATOM 0 HA LEU A 113 -11.613 -11.849 -5.706 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -9.223 -11.049 -5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -9.765 -10.292 -3.831 1.00 0.00 H new ATOM 0 HG LEU A 113 -10.410 -12.499 -2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -9.677 -14.575 -4.030 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -10.903 -13.708 -4.984 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -9.191 -13.639 -5.464 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -8.071 -13.341 -2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -7.540 -12.317 -3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -8.154 -11.569 -2.488 1.00 0.00 H new ATOM 1806 N ALA A 114 -13.052 -12.058 -3.735 1.00 0.00 N ATOM 1807 CA ALA A 114 -14.090 -12.150 -2.710 1.00 0.00 C ATOM 1808 C ALA A 114 -13.513 -11.999 -1.277 1.00 0.00 C ATOM 1809 O ALA A 114 -12.351 -12.348 -1.050 1.00 0.00 O ATOM 1810 CB ALA A 114 -14.817 -13.491 -2.866 1.00 0.00 C ATOM 1811 OXT ALA A 114 -14.239 -11.528 -0.404 1.00 0.00 O ATOM 0 H ALA A 114 -12.858 -12.931 -4.225 1.00 0.00 H new ATOM 0 HA ALA A 114 -14.791 -11.327 -2.849 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -15.595 -13.574 -2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.269 -13.547 -3.856 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -14.105 -14.307 -2.746 1.00 0.00 H new TER 1817 ALA A 114