USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 874 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 2 SER OG : rot 146:sc= 0.113 USER MOD Set 1.2: A 117 SER OG : rot 28:sc= 0.321 USER MOD Set 2.1: A 56 LYS NZ :NH3+ 172:sc= 0.905 (180deg=-0.0199) USER MOD Set 2.2: A 61 CYS SG : rot 160:sc= 0.767 USER MOD Set 3.1: A 54 SER OG : rot -110:sc= 1.85 USER MOD Set 3.2: A 63 HIS : no HE2:sc= -0.282 K(o=1.6,f=-9.1!) USER MOD Set 4.1: A 48 HIS : no HD1:sc= -0.0377 K(o=-0.25,f=-0.86) USER MOD Set 4.2: A 65 MET CE :methyl -125:sc= -0.217 (180deg=-2.6!) USER MOD Set 5.1: A 45 SER OG : rot 180:sc= 0.596 USER MOD Set 5.2: A 52 THR OG1 : rot 57:sc= 1.12 USER MOD Set 6.1: A 35 GLN : amide:sc= -1.54 K(o=-1.5,f=-4.2!) USER MOD Set 6.2: A 39 SER OG : rot 103:sc= 0.0684 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 9:sc= 0.579 USER MOD Single : A 6 SER OG : rot 22:sc= 0.37 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 HIS : no HE2:sc= -4.09 K(o=-4.1,f=-6.9!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.461 K(o=-0.46,f=-1.7) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.93 X(o=-0.93,f=-0.45) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot -129:sc= -0.265 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 35:sc= 1.27 USER MOD Single : A 62 CYS SG : rot 36:sc= -0.0604 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -3.04! USER MOD Single : A 75 MET CE :methyl 162:sc= -0.0713 (180deg=-0.586) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -8.57! C(o=-8.6!,f=-9!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0422 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HE2:sc= -4.63 K(o=-4.6,f=-7.9!) USER MOD Single : A 94 GLN : amide:sc= -1.15 K(o=-1.2,f=-3.8!) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= -1.23! USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 CYS SG : rot 170:sc= -1.07 USER MOD Single : A 111 GLN :FLIP amide:sc= 0.493 F(o=-0.55,f=0.49) USER MOD Single : A 112 LYS NZ :NH3+ -124:sc= -0.208 (180deg=-0.909) USER MOD Single : A 114 SER OG : rot 41:sc= 0.79 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.058 17.037 -20.758 1.00 0.00 N ATOM 2 CA GLY A 1 5.233 16.723 -21.911 1.00 0.00 C ATOM 3 C GLY A 1 5.998 15.973 -22.984 1.00 0.00 C ATOM 4 O GLY A 1 6.739 16.572 -23.762 1.00 0.00 O ATOM 0 H1 GLY A 1 5.490 17.549 -20.054 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.418 16.156 -20.338 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.858 17.631 -21.055 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.380 16.124 -21.591 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.835 17.646 -22.331 1.00 0.00 H new ATOM 8 N SER A 2 5.819 14.657 -23.024 1.00 0.00 N ATOM 9 CA SER A 2 6.502 13.822 -24.005 1.00 0.00 C ATOM 10 C SER A 2 5.778 13.859 -25.348 1.00 0.00 C ATOM 11 O SER A 2 4.579 14.129 -25.412 1.00 0.00 O ATOM 12 CB SER A 2 6.595 12.379 -23.503 1.00 0.00 C ATOM 13 OG SER A 2 5.313 11.867 -23.185 1.00 0.00 O ATOM 0 H SER A 2 5.207 14.146 -22.388 1.00 0.00 H new ATOM 0 HA SER A 2 7.509 14.217 -24.143 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.061 11.755 -24.265 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.236 12.338 -22.622 1.00 0.00 H new ATOM 0 HG SER A 2 5.284 10.909 -23.388 1.00 0.00 H new ATOM 19 N SER A 3 6.517 13.586 -26.418 1.00 0.00 N ATOM 20 CA SER A 3 5.948 13.592 -27.762 1.00 0.00 C ATOM 21 C SER A 3 5.101 12.345 -27.998 1.00 0.00 C ATOM 22 O SER A 3 3.932 12.437 -28.368 1.00 0.00 O ATOM 23 CB SER A 3 7.060 13.673 -28.808 1.00 0.00 C ATOM 24 OG SER A 3 7.713 14.930 -28.763 1.00 0.00 O ATOM 0 H SER A 3 7.511 13.358 -26.381 1.00 0.00 H new ATOM 0 HA SER A 3 5.307 14.468 -27.856 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.784 12.877 -28.635 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.641 13.513 -29.801 1.00 0.00 H new ATOM 0 HG SER A 3 8.421 14.955 -29.440 1.00 0.00 H new ATOM 30 N GLY A 4 5.702 11.179 -27.781 1.00 0.00 N ATOM 31 CA GLY A 4 4.989 9.930 -27.976 1.00 0.00 C ATOM 32 C GLY A 4 4.623 9.691 -29.427 1.00 0.00 C ATOM 33 O GLY A 4 3.646 10.248 -29.928 1.00 0.00 O ATOM 0 H GLY A 4 6.669 11.077 -27.474 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.605 9.104 -27.619 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.082 9.935 -27.372 1.00 0.00 H new ATOM 37 N SER A 5 5.410 8.862 -30.106 1.00 0.00 N ATOM 38 CA SER A 5 5.166 8.555 -31.510 1.00 0.00 C ATOM 39 C SER A 5 5.754 7.197 -31.879 1.00 0.00 C ATOM 40 O SER A 5 6.452 6.572 -31.080 1.00 0.00 O ATOM 41 CB SER A 5 5.767 9.643 -32.403 1.00 0.00 C ATOM 42 OG SER A 5 5.015 10.842 -32.323 1.00 0.00 O ATOM 0 H SER A 5 6.222 8.391 -29.706 1.00 0.00 H new ATOM 0 HA SER A 5 4.088 8.520 -31.667 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.797 9.836 -32.104 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.795 9.296 -33.436 1.00 0.00 H new ATOM 0 HG SER A 5 4.350 10.764 -31.608 1.00 0.00 H new ATOM 48 N SER A 6 5.466 6.745 -33.096 1.00 0.00 N ATOM 49 CA SER A 6 5.962 5.459 -33.572 1.00 0.00 C ATOM 50 C SER A 6 5.873 4.403 -32.473 1.00 0.00 C ATOM 51 O SER A 6 6.806 3.628 -32.264 1.00 0.00 O ATOM 52 CB SER A 6 7.410 5.591 -34.050 1.00 0.00 C ATOM 53 OG SER A 6 8.230 6.158 -33.044 1.00 0.00 O ATOM 0 H SER A 6 4.892 7.251 -33.770 1.00 0.00 H new ATOM 0 HA SER A 6 5.338 5.144 -34.408 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.795 4.610 -34.327 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.445 6.212 -34.945 1.00 0.00 H new ATOM 0 HG SER A 6 7.812 6.026 -32.168 1.00 0.00 H new ATOM 59 N GLY A 7 4.742 4.380 -31.774 1.00 0.00 N ATOM 60 CA GLY A 7 4.550 3.416 -30.706 1.00 0.00 C ATOM 61 C GLY A 7 3.219 2.697 -30.805 1.00 0.00 C ATOM 62 O GLY A 7 2.436 2.950 -31.720 1.00 0.00 O ATOM 0 H GLY A 7 3.956 5.011 -31.928 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.357 2.684 -30.732 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.613 3.926 -29.745 1.00 0.00 H new ATOM 66 N GLY A 8 2.962 1.799 -29.860 1.00 0.00 N ATOM 67 CA GLY A 8 1.716 1.054 -29.863 1.00 0.00 C ATOM 68 C GLY A 8 0.521 1.922 -29.520 1.00 0.00 C ATOM 69 O GLY A 8 0.614 3.149 -29.537 1.00 0.00 O ATOM 0 H GLY A 8 3.594 1.574 -29.092 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.566 0.606 -30.846 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.784 0.235 -29.147 1.00 0.00 H new ATOM 73 N GLN A 9 -0.602 1.283 -29.210 1.00 0.00 N ATOM 74 CA GLN A 9 -1.820 2.006 -28.864 1.00 0.00 C ATOM 75 C GLN A 9 -2.510 1.368 -27.663 1.00 0.00 C ATOM 76 O GLN A 9 -2.708 0.152 -27.620 1.00 0.00 O ATOM 77 CB GLN A 9 -2.777 2.037 -30.058 1.00 0.00 C ATOM 78 CG GLN A 9 -3.036 0.669 -30.667 1.00 0.00 C ATOM 79 CD GLN A 9 -4.226 0.663 -31.603 1.00 0.00 C ATOM 80 OE1 GLN A 9 -5.350 0.970 -31.201 1.00 0.00 O ATOM 81 NE2 GLN A 9 -3.989 0.311 -32.862 1.00 0.00 N ATOM 0 H GLN A 9 -0.694 0.267 -29.191 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.543 3.027 -28.601 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.726 2.470 -29.741 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.367 2.695 -30.824 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -2.149 0.344 -31.211 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -3.203 -0.054 -29.869 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -3.043 0.064 -33.153 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -4.753 0.288 -33.537 1.00 0.00 H new ATOM 90 N LEU A 10 -2.872 2.192 -26.687 1.00 0.00 N ATOM 91 CA LEU A 10 -3.539 1.708 -25.483 1.00 0.00 C ATOM 92 C LEU A 10 -4.861 2.437 -25.264 1.00 0.00 C ATOM 93 O LEU A 10 -5.220 2.765 -24.133 1.00 0.00 O ATOM 94 CB LEU A 10 -2.633 1.893 -24.265 1.00 0.00 C ATOM 95 CG LEU A 10 -1.682 0.737 -23.954 1.00 0.00 C ATOM 96 CD1 LEU A 10 -0.565 1.198 -23.031 1.00 0.00 C ATOM 97 CD2 LEU A 10 -2.442 -0.427 -23.335 1.00 0.00 C ATOM 0 H LEU A 10 -2.715 3.200 -26.705 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.748 0.646 -25.614 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.040 2.795 -24.412 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.262 2.064 -23.392 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.236 0.397 -24.889 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.102 0.362 -22.821 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.003 1.998 -23.512 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.992 1.565 -22.098 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.749 -1.241 -23.120 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.917 -0.101 -22.410 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.205 -0.775 -24.031 1.00 0.00 H new ATOM 109 N ALA A 11 -5.582 2.684 -26.351 1.00 0.00 N ATOM 110 CA ALA A 11 -6.867 3.369 -26.278 1.00 0.00 C ATOM 111 C ALA A 11 -7.732 2.794 -25.161 1.00 0.00 C ATOM 112 O ALA A 11 -8.408 3.532 -24.445 1.00 0.00 O ATOM 113 CB ALA A 11 -7.593 3.277 -27.611 1.00 0.00 C ATOM 0 H ALA A 11 -5.298 2.420 -27.295 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.678 4.419 -26.053 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.550 3.793 -27.540 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.987 3.742 -28.388 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.763 2.230 -27.861 1.00 0.00 H new ATOM 119 N GLN A 12 -7.706 1.473 -25.019 1.00 0.00 N ATOM 120 CA GLN A 12 -8.490 0.800 -23.991 1.00 0.00 C ATOM 121 C GLN A 12 -7.741 0.779 -22.663 1.00 0.00 C ATOM 122 O GLN A 12 -6.871 -0.065 -22.443 1.00 0.00 O ATOM 123 CB GLN A 12 -8.821 -0.629 -24.426 1.00 0.00 C ATOM 124 CG GLN A 12 -7.597 -1.513 -24.596 1.00 0.00 C ATOM 125 CD GLN A 12 -7.838 -2.668 -25.547 1.00 0.00 C ATOM 126 OE1 GLN A 12 -7.981 -2.474 -26.754 1.00 0.00 O ATOM 127 NE2 GLN A 12 -7.885 -3.881 -25.007 1.00 0.00 N ATOM 0 H GLN A 12 -7.151 0.848 -25.603 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.418 1.355 -23.855 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.485 -1.080 -23.688 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.368 -0.595 -25.368 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -6.767 -0.911 -24.965 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.299 -1.904 -23.623 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -7.761 -3.997 -24.001 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -8.045 -4.697 -25.598 1.00 0.00 H new ATOM 136 N ASP A 13 -8.083 1.710 -21.781 1.00 0.00 N ATOM 137 CA ASP A 13 -7.444 1.799 -20.473 1.00 0.00 C ATOM 138 C ASP A 13 -8.483 1.978 -19.371 1.00 0.00 C ATOM 139 O ASP A 13 -9.091 3.039 -19.243 1.00 0.00 O ATOM 140 CB ASP A 13 -6.447 2.960 -20.446 1.00 0.00 C ATOM 141 CG ASP A 13 -5.129 2.606 -21.104 1.00 0.00 C ATOM 142 OD1 ASP A 13 -4.770 1.410 -21.107 1.00 0.00 O ATOM 143 OD2 ASP A 13 -4.455 3.525 -21.614 1.00 0.00 O ATOM 0 H ASP A 13 -8.801 2.415 -21.948 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.909 0.867 -20.294 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.883 3.821 -20.952 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.266 3.256 -19.413 1.00 0.00 H new ATOM 148 N GLY A 14 -8.682 0.931 -18.576 1.00 0.00 N ATOM 149 CA GLY A 14 -9.649 0.992 -17.495 1.00 0.00 C ATOM 150 C GLY A 14 -8.991 1.100 -16.134 1.00 0.00 C ATOM 151 O GLY A 14 -9.321 0.349 -15.216 1.00 0.00 O ATOM 0 H GLY A 14 -8.191 0.041 -18.661 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.305 1.849 -17.647 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.276 0.101 -17.522 1.00 0.00 H new ATOM 155 N VAL A 15 -8.055 2.035 -16.003 1.00 0.00 N ATOM 156 CA VAL A 15 -7.348 2.237 -14.743 1.00 0.00 C ATOM 157 C VAL A 15 -7.009 3.709 -14.534 1.00 0.00 C ATOM 158 O VAL A 15 -6.569 4.406 -15.449 1.00 0.00 O ATOM 159 CB VAL A 15 -6.050 1.410 -14.689 1.00 0.00 C ATOM 160 CG1 VAL A 15 -5.066 1.889 -15.747 1.00 0.00 C ATOM 161 CG2 VAL A 15 -5.431 1.481 -13.302 1.00 0.00 C ATOM 0 H VAL A 15 -7.769 2.664 -16.753 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.015 1.904 -13.948 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.294 0.369 -14.900 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.155 1.293 -15.693 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.513 1.781 -16.735 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.824 2.937 -15.571 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.515 0.891 -13.282 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.200 2.518 -13.059 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.134 1.085 -12.569 1.00 0.00 H new ATOM 171 N PRO A 16 -7.216 4.194 -13.301 1.00 0.00 N ATOM 172 CA PRO A 16 -6.938 5.588 -12.942 1.00 0.00 C ATOM 173 C PRO A 16 -5.444 5.893 -12.918 1.00 0.00 C ATOM 174 O PRO A 16 -4.616 4.983 -12.883 1.00 0.00 O ATOM 175 CB PRO A 16 -7.534 5.718 -11.539 1.00 0.00 C ATOM 176 CG PRO A 16 -7.516 4.333 -10.990 1.00 0.00 C ATOM 177 CD PRO A 16 -7.738 3.420 -12.163 1.00 0.00 C ATOM 0 HA PRO A 16 -7.359 6.287 -13.665 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.946 6.397 -10.921 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.548 6.116 -11.575 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.565 4.119 -10.503 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.295 4.201 -10.239 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.208 2.475 -12.043 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.793 3.179 -12.291 1.00 0.00 H new ATOM 185 N GLU A 17 -5.107 7.179 -12.934 1.00 0.00 N ATOM 186 CA GLU A 17 -3.712 7.603 -12.913 1.00 0.00 C ATOM 187 C GLU A 17 -3.135 7.507 -11.504 1.00 0.00 C ATOM 188 O GLU A 17 -1.940 7.273 -11.326 1.00 0.00 O ATOM 189 CB GLU A 17 -3.583 9.036 -13.433 1.00 0.00 C ATOM 190 CG GLU A 17 -4.356 10.053 -12.610 1.00 0.00 C ATOM 191 CD GLU A 17 -4.809 11.245 -13.432 1.00 0.00 C ATOM 192 OE1 GLU A 17 -5.596 11.048 -14.380 1.00 0.00 O ATOM 193 OE2 GLU A 17 -4.375 12.376 -13.124 1.00 0.00 O ATOM 0 H GLU A 17 -5.780 7.945 -12.961 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.147 6.936 -13.564 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.530 9.316 -13.445 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.934 9.073 -14.464 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.227 9.570 -12.167 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.731 10.400 -11.787 1.00 0.00 H new ATOM 200 N TRP A 18 -3.993 7.690 -10.507 1.00 0.00 N ATOM 201 CA TRP A 18 -3.569 7.626 -9.112 1.00 0.00 C ATOM 202 C TRP A 18 -3.232 6.193 -8.712 1.00 0.00 C ATOM 203 O TRP A 18 -2.764 5.943 -7.601 1.00 0.00 O ATOM 204 CB TRP A 18 -4.663 8.181 -8.199 1.00 0.00 C ATOM 205 CG TRP A 18 -6.004 7.549 -8.426 1.00 0.00 C ATOM 206 CD1 TRP A 18 -7.028 8.048 -9.179 1.00 0.00 C ATOM 207 CD2 TRP A 18 -6.464 6.302 -7.894 1.00 0.00 C ATOM 208 NE1 TRP A 18 -8.098 7.186 -9.147 1.00 0.00 N ATOM 209 CE2 TRP A 18 -7.777 6.107 -8.367 1.00 0.00 C ATOM 210 CE3 TRP A 18 -5.894 5.330 -7.067 1.00 0.00 C ATOM 211 CZ2 TRP A 18 -8.526 4.981 -8.037 1.00 0.00 C ATOM 212 CZ3 TRP A 18 -6.640 4.213 -6.742 1.00 0.00 C ATOM 213 CH2 TRP A 18 -7.945 4.045 -7.226 1.00 0.00 C ATOM 0 H TRP A 18 -4.986 7.884 -10.638 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.672 8.235 -9.002 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.370 8.031 -7.160 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.745 9.257 -8.355 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -7.001 8.982 -9.720 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -8.987 7.327 -9.627 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.889 5.450 -6.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -9.532 4.851 -8.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.210 3.456 -6.103 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -8.502 3.161 -6.954 1.00 0.00 H new ATOM 224 N PHE A 19 -3.474 5.256 -9.623 1.00 0.00 N ATOM 225 CA PHE A 19 -3.197 3.849 -9.362 1.00 0.00 C ATOM 226 C PHE A 19 -1.912 3.409 -10.060 1.00 0.00 C ATOM 227 O PHE A 19 -1.930 3.012 -11.226 1.00 0.00 O ATOM 228 CB PHE A 19 -4.366 2.981 -9.832 1.00 0.00 C ATOM 229 CG PHE A 19 -4.143 1.511 -9.627 1.00 0.00 C ATOM 230 CD1 PHE A 19 -4.467 0.909 -8.422 1.00 0.00 C ATOM 231 CD2 PHE A 19 -3.609 0.729 -10.638 1.00 0.00 C ATOM 232 CE1 PHE A 19 -4.261 -0.445 -8.230 1.00 0.00 C ATOM 233 CE2 PHE A 19 -3.401 -0.624 -10.453 1.00 0.00 C ATOM 234 CZ PHE A 19 -3.729 -1.212 -9.247 1.00 0.00 C ATOM 0 H PHE A 19 -3.861 5.446 -10.547 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.069 3.724 -8.287 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.268 3.281 -9.299 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.544 3.169 -10.891 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.885 1.504 -7.623 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.352 1.183 -11.584 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.516 -0.902 -7.285 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.983 -1.221 -11.250 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.570 -2.270 -9.100 1.00 0.00 H new ATOM 244 N HIS A 20 -0.798 3.485 -9.339 1.00 0.00 N ATOM 245 CA HIS A 20 0.496 3.096 -9.887 1.00 0.00 C ATOM 246 C HIS A 20 0.748 1.605 -9.680 1.00 0.00 C ATOM 247 O HIS A 20 1.870 1.188 -9.397 1.00 0.00 O ATOM 248 CB HIS A 20 1.615 3.909 -9.235 1.00 0.00 C ATOM 249 CG HIS A 20 1.398 5.389 -9.304 1.00 0.00 C ATOM 250 ND1 HIS A 20 2.126 6.219 -10.131 1.00 0.00 N ATOM 251 CD2 HIS A 20 0.527 6.188 -8.645 1.00 0.00 C ATOM 252 CE1 HIS A 20 1.713 7.465 -9.976 1.00 0.00 C ATOM 253 NE2 HIS A 20 0.743 7.473 -9.079 1.00 0.00 N ATOM 0 H HIS A 20 -0.766 3.813 -8.374 1.00 0.00 H new ATOM 0 HA HIS A 20 0.485 3.300 -10.958 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.707 3.612 -8.190 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.560 3.666 -9.720 1.00 0.00 H new ATOM 0 HD1 HIS A 20 2.867 5.918 -10.764 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.203 5.874 -7.913 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.102 8.329 -10.494 1.00 0.00 H new ATOM 261 N GLY A 21 -0.307 0.807 -9.824 1.00 0.00 N ATOM 262 CA GLY A 21 -0.178 -0.629 -9.648 1.00 0.00 C ATOM 263 C GLY A 21 0.620 -0.992 -8.412 1.00 0.00 C ATOM 264 O GLY A 21 0.132 -0.864 -7.291 1.00 0.00 O ATOM 0 H GLY A 21 -1.246 1.128 -10.059 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.171 -1.074 -9.580 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.304 -1.058 -10.527 1.00 0.00 H new ATOM 268 N ALA A 22 1.851 -1.450 -8.619 1.00 0.00 N ATOM 269 CA ALA A 22 2.719 -1.834 -7.511 1.00 0.00 C ATOM 270 C ALA A 22 4.075 -1.146 -7.614 1.00 0.00 C ATOM 271 O ALA A 22 4.956 -1.595 -8.348 1.00 0.00 O ATOM 272 CB ALA A 22 2.892 -3.345 -7.477 1.00 0.00 C ATOM 0 H ALA A 22 2.269 -1.564 -9.542 1.00 0.00 H new ATOM 0 HA ALA A 22 2.248 -1.512 -6.582 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.542 -3.618 -6.646 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.919 -3.820 -7.348 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.339 -3.681 -8.413 1.00 0.00 H new ATOM 278 N ILE A 23 4.237 -0.053 -6.875 1.00 0.00 N ATOM 279 CA ILE A 23 5.487 0.695 -6.882 1.00 0.00 C ATOM 280 C ILE A 23 6.244 0.515 -5.571 1.00 0.00 C ATOM 281 O ILE A 23 5.712 -0.031 -4.605 1.00 0.00 O ATOM 282 CB ILE A 23 5.241 2.197 -7.119 1.00 0.00 C ATOM 283 CG1 ILE A 23 4.195 2.727 -6.136 1.00 0.00 C ATOM 284 CG2 ILE A 23 4.800 2.444 -8.554 1.00 0.00 C ATOM 285 CD1 ILE A 23 4.118 4.237 -6.089 1.00 0.00 C ATOM 0 H ILE A 23 3.518 0.334 -6.264 1.00 0.00 H new ATOM 0 HA ILE A 23 6.088 0.299 -7.701 1.00 0.00 H new ATOM 0 HB ILE A 23 6.175 2.732 -6.950 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.217 2.330 -6.410 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.423 2.352 -5.138 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.631 3.510 -8.704 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.576 2.100 -9.238 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.877 1.899 -8.750 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.356 4.540 -5.371 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.084 4.641 -5.785 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.859 4.619 -7.076 1.00 0.00 H new ATOM 297 N SER A 24 7.490 0.981 -5.544 1.00 0.00 N ATOM 298 CA SER A 24 8.321 0.869 -4.352 1.00 0.00 C ATOM 299 C SER A 24 8.246 2.143 -3.516 1.00 0.00 C ATOM 300 O SER A 24 7.995 3.229 -4.040 1.00 0.00 O ATOM 301 CB SER A 24 9.774 0.587 -4.743 1.00 0.00 C ATOM 302 OG SER A 24 10.448 -0.123 -3.718 1.00 0.00 O ATOM 0 H SER A 24 7.945 1.439 -6.334 1.00 0.00 H new ATOM 0 HA SER A 24 7.945 0.039 -3.753 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.800 0.010 -5.667 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.290 1.527 -4.939 1.00 0.00 H new ATOM 0 HG SER A 24 11.374 -0.293 -3.992 1.00 0.00 H new ATOM 308 N ARG A 25 8.464 2.002 -2.213 1.00 0.00 N ATOM 309 CA ARG A 25 8.420 3.140 -1.303 1.00 0.00 C ATOM 310 C ARG A 25 9.270 4.292 -1.832 1.00 0.00 C ATOM 311 O ARG A 25 9.013 5.456 -1.526 1.00 0.00 O ATOM 312 CB ARG A 25 8.906 2.728 0.087 1.00 0.00 C ATOM 313 CG ARG A 25 8.270 3.522 1.216 1.00 0.00 C ATOM 314 CD ARG A 25 9.040 4.802 1.501 1.00 0.00 C ATOM 315 NE ARG A 25 8.940 5.200 2.903 1.00 0.00 N ATOM 316 CZ ARG A 25 9.474 6.314 3.390 1.00 0.00 C ATOM 317 NH1 ARG A 25 10.140 7.137 2.592 1.00 0.00 N ATOM 318 NH2 ARG A 25 9.341 6.608 4.678 1.00 0.00 N ATOM 0 H ARG A 25 8.673 1.111 -1.764 1.00 0.00 H new ATOM 0 HA ARG A 25 7.386 3.477 -1.232 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.696 1.669 0.236 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.988 2.849 0.134 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.240 3.766 0.955 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.234 2.910 2.117 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.088 4.661 1.238 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.658 5.603 0.868 1.00 0.00 H new ATOM 0 HE ARG A 25 8.432 4.589 3.543 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.243 6.915 1.602 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.549 7.992 2.968 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.828 5.978 5.295 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.752 7.464 5.051 1.00 0.00 H new ATOM 332 N GLU A 26 10.283 3.957 -2.624 1.00 0.00 N ATOM 333 CA GLU A 26 11.172 4.964 -3.193 1.00 0.00 C ATOM 334 C GLU A 26 10.555 5.594 -4.437 1.00 0.00 C ATOM 335 O GLU A 26 10.711 6.791 -4.683 1.00 0.00 O ATOM 336 CB GLU A 26 12.526 4.342 -3.541 1.00 0.00 C ATOM 337 CG GLU A 26 12.426 3.148 -4.475 1.00 0.00 C ATOM 338 CD GLU A 26 13.782 2.576 -4.840 1.00 0.00 C ATOM 339 OE1 GLU A 26 14.767 3.344 -4.844 1.00 0.00 O ATOM 340 OE2 GLU A 26 13.858 1.362 -5.119 1.00 0.00 O ATOM 0 H GLU A 26 10.509 2.998 -2.886 1.00 0.00 H new ATOM 0 HA GLU A 26 11.320 5.745 -2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.157 5.101 -4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.021 4.032 -2.621 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.824 2.372 -4.003 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.905 3.446 -5.385 1.00 0.00 H new ATOM 347 N ASP A 27 9.852 4.781 -5.219 1.00 0.00 N ATOM 348 CA ASP A 27 9.211 5.258 -6.438 1.00 0.00 C ATOM 349 C ASP A 27 8.070 6.218 -6.112 1.00 0.00 C ATOM 350 O ASP A 27 8.038 7.348 -6.599 1.00 0.00 O ATOM 351 CB ASP A 27 8.682 4.079 -7.257 1.00 0.00 C ATOM 352 CG ASP A 27 9.713 3.542 -8.229 1.00 0.00 C ATOM 353 OD1 ASP A 27 10.623 2.809 -7.785 1.00 0.00 O ATOM 354 OD2 ASP A 27 9.611 3.853 -9.434 1.00 0.00 O ATOM 0 H ASP A 27 9.712 3.789 -5.030 1.00 0.00 H new ATOM 0 HA ASP A 27 9.957 5.793 -7.025 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.373 3.281 -6.582 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.795 4.392 -7.808 1.00 0.00 H new ATOM 359 N ALA A 28 7.136 5.760 -5.285 1.00 0.00 N ATOM 360 CA ALA A 28 5.995 6.578 -4.893 1.00 0.00 C ATOM 361 C ALA A 28 6.441 7.971 -4.460 1.00 0.00 C ATOM 362 O ALA A 28 6.008 8.974 -5.025 1.00 0.00 O ATOM 363 CB ALA A 28 5.218 5.899 -3.775 1.00 0.00 C ATOM 0 H ALA A 28 7.147 4.827 -4.874 1.00 0.00 H new ATOM 0 HA ALA A 28 5.343 6.687 -5.759 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.369 6.521 -3.492 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.859 4.929 -4.119 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.869 5.760 -2.912 1.00 0.00 H new ATOM 369 N GLU A 29 7.308 8.023 -3.453 1.00 0.00 N ATOM 370 CA GLU A 29 7.810 9.294 -2.945 1.00 0.00 C ATOM 371 C GLU A 29 8.465 10.106 -4.058 1.00 0.00 C ATOM 372 O GLU A 29 8.380 11.332 -4.079 1.00 0.00 O ATOM 373 CB GLU A 29 8.813 9.055 -1.814 1.00 0.00 C ATOM 374 CG GLU A 29 8.170 8.595 -0.517 1.00 0.00 C ATOM 375 CD GLU A 29 6.902 7.794 -0.746 1.00 0.00 C ATOM 376 OE1 GLU A 29 5.819 8.410 -0.834 1.00 0.00 O ATOM 377 OE2 GLU A 29 6.994 6.553 -0.837 1.00 0.00 O ATOM 0 H GLU A 29 7.676 7.201 -2.974 1.00 0.00 H new ATOM 0 HA GLU A 29 6.963 9.861 -2.557 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.538 8.307 -2.135 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.365 9.976 -1.629 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.882 7.988 0.042 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.940 9.465 0.098 1.00 0.00 H new ATOM 384 N ASN A 30 9.121 9.410 -4.982 1.00 0.00 N ATOM 385 CA ASN A 30 9.793 10.064 -6.099 1.00 0.00 C ATOM 386 C ASN A 30 8.780 10.568 -7.122 1.00 0.00 C ATOM 387 O ASN A 30 9.041 11.529 -7.849 1.00 0.00 O ATOM 388 CB ASN A 30 10.774 9.100 -6.767 1.00 0.00 C ATOM 389 CG ASN A 30 12.078 8.978 -6.002 1.00 0.00 C ATOM 390 OD1 ASN A 30 12.212 9.502 -4.896 1.00 0.00 O ATOM 391 ND2 ASN A 30 13.045 8.284 -6.588 1.00 0.00 N ATOM 0 H ASN A 30 9.201 8.393 -4.979 1.00 0.00 H new ATOM 0 HA ASN A 30 10.345 10.919 -5.709 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.312 8.116 -6.851 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.982 9.442 -7.781 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.944 8.167 -6.121 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.889 7.867 -7.506 1.00 0.00 H new ATOM 398 N LEU A 31 7.625 9.914 -7.175 1.00 0.00 N ATOM 399 CA LEU A 31 6.572 10.296 -8.109 1.00 0.00 C ATOM 400 C LEU A 31 5.865 11.566 -7.645 1.00 0.00 C ATOM 401 O LEU A 31 5.372 12.347 -8.459 1.00 0.00 O ATOM 402 CB LEU A 31 5.558 9.161 -8.257 1.00 0.00 C ATOM 403 CG LEU A 31 5.845 8.145 -9.364 1.00 0.00 C ATOM 404 CD1 LEU A 31 5.144 6.827 -9.073 1.00 0.00 C ATOM 405 CD2 LEU A 31 5.415 8.693 -10.716 1.00 0.00 C ATOM 0 H LEU A 31 7.394 9.117 -6.582 1.00 0.00 H new ATOM 0 HA LEU A 31 7.034 10.492 -9.077 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.499 8.628 -7.308 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.576 9.599 -8.439 1.00 0.00 H new ATOM 0 HG LEU A 31 6.919 7.963 -9.394 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.359 6.116 -9.871 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.501 6.427 -8.124 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.068 6.992 -9.015 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.627 7.957 -11.491 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.346 8.905 -10.699 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.964 9.611 -10.928 1.00 0.00 H new ATOM 417 N LEU A 32 5.823 11.767 -6.333 1.00 0.00 N ATOM 418 CA LEU A 32 5.179 12.944 -5.759 1.00 0.00 C ATOM 419 C LEU A 32 6.188 14.068 -5.550 1.00 0.00 C ATOM 420 O LEU A 32 5.825 15.244 -5.535 1.00 0.00 O ATOM 421 CB LEU A 32 4.513 12.587 -4.429 1.00 0.00 C ATOM 422 CG LEU A 32 3.551 11.400 -4.457 1.00 0.00 C ATOM 423 CD1 LEU A 32 3.317 10.869 -3.051 1.00 0.00 C ATOM 424 CD2 LEU A 32 2.233 11.796 -5.105 1.00 0.00 C ATOM 0 H LEU A 32 6.227 11.130 -5.646 1.00 0.00 H new ATOM 0 HA LEU A 32 4.418 13.289 -6.458 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.295 12.378 -3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.969 13.461 -4.072 1.00 0.00 H new ATOM 0 HG LEU A 32 4.002 10.606 -5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.629 10.024 -3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.265 10.545 -2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.888 11.657 -2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.561 10.938 -5.116 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.777 12.607 -4.537 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.415 12.127 -6.127 1.00 0.00 H new ATOM 436 N GLU A 33 7.455 13.699 -5.394 1.00 0.00 N ATOM 437 CA GLU A 33 8.516 14.678 -5.188 1.00 0.00 C ATOM 438 C GLU A 33 8.496 15.739 -6.285 1.00 0.00 C ATOM 439 O GLU A 33 8.631 16.932 -6.011 1.00 0.00 O ATOM 440 CB GLU A 33 9.880 13.986 -5.157 1.00 0.00 C ATOM 441 CG GLU A 33 10.550 13.900 -6.518 1.00 0.00 C ATOM 442 CD GLU A 33 11.805 13.048 -6.497 1.00 0.00 C ATOM 443 OE1 GLU A 33 12.031 12.349 -5.488 1.00 0.00 O ATOM 444 OE2 GLU A 33 12.561 13.083 -7.491 1.00 0.00 O ATOM 0 H GLU A 33 7.772 12.730 -5.406 1.00 0.00 H new ATOM 0 HA GLU A 33 8.344 15.167 -4.229 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.535 14.524 -4.472 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.758 12.979 -4.757 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.846 13.486 -7.240 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.802 14.904 -6.859 1.00 0.00 H new ATOM 451 N SER A 34 8.329 15.296 -7.527 1.00 0.00 N ATOM 452 CA SER A 34 8.296 16.206 -8.665 1.00 0.00 C ATOM 453 C SER A 34 6.871 16.672 -8.948 1.00 0.00 C ATOM 454 O SER A 34 6.571 17.158 -10.038 1.00 0.00 O ATOM 455 CB SER A 34 8.878 15.525 -9.905 1.00 0.00 C ATOM 456 OG SER A 34 10.276 15.739 -9.997 1.00 0.00 O ATOM 0 H SER A 34 8.214 14.312 -7.770 1.00 0.00 H new ATOM 0 HA SER A 34 8.902 17.078 -8.419 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.673 14.455 -9.866 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.388 15.911 -10.799 1.00 0.00 H new ATOM 0 HG SER A 34 10.623 15.292 -10.797 1.00 0.00 H new ATOM 462 N GLN A 35 5.998 16.519 -7.958 1.00 0.00 N ATOM 463 CA GLN A 35 4.604 16.923 -8.099 1.00 0.00 C ATOM 464 C GLN A 35 4.252 18.022 -7.103 1.00 0.00 C ATOM 465 O GLN A 35 4.884 18.172 -6.057 1.00 0.00 O ATOM 466 CB GLN A 35 3.679 15.721 -7.900 1.00 0.00 C ATOM 467 CG GLN A 35 3.684 14.749 -9.068 1.00 0.00 C ATOM 468 CD GLN A 35 3.195 15.381 -10.356 1.00 0.00 C ATOM 469 OE1 GLN A 35 2.216 16.129 -10.361 1.00 0.00 O ATOM 470 NE2 GLN A 35 3.876 15.086 -11.458 1.00 0.00 N ATOM 0 H GLN A 35 6.231 16.118 -7.049 1.00 0.00 H new ATOM 0 HA GLN A 35 4.466 17.314 -9.107 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.976 15.190 -6.995 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.662 16.079 -7.740 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.695 14.369 -9.215 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.054 13.893 -8.826 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.681 14.462 -11.408 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.594 15.484 -12.354 1.00 0.00 H new ATOM 479 N PRO A 36 3.218 18.811 -7.432 1.00 0.00 N ATOM 480 CA PRO A 36 2.758 19.910 -6.577 1.00 0.00 C ATOM 481 C PRO A 36 2.098 19.412 -5.297 1.00 0.00 C ATOM 482 O PRO A 36 1.485 18.343 -5.277 1.00 0.00 O ATOM 483 CB PRO A 36 1.738 20.639 -7.456 1.00 0.00 C ATOM 484 CG PRO A 36 1.251 19.603 -8.410 1.00 0.00 C ATOM 485 CD PRO A 36 2.419 18.691 -8.662 1.00 0.00 C ATOM 0 HA PRO A 36 3.583 20.540 -6.244 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.920 21.044 -6.860 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.196 21.477 -7.981 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.409 19.052 -7.991 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.904 20.059 -9.338 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.097 17.664 -8.833 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.986 18.998 -9.541 1.00 0.00 H new ATOM 493 N LEU A 37 2.224 20.192 -4.229 1.00 0.00 N ATOM 494 CA LEU A 37 1.637 19.830 -2.944 1.00 0.00 C ATOM 495 C LEU A 37 0.188 19.387 -3.111 1.00 0.00 C ATOM 496 O LEU A 37 -0.592 20.031 -3.812 1.00 0.00 O ATOM 497 CB LEU A 37 1.714 21.012 -1.975 1.00 0.00 C ATOM 498 CG LEU A 37 1.830 20.659 -0.492 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.673 19.770 -0.062 1.00 0.00 C ATOM 500 CD2 LEU A 37 3.162 19.977 -0.210 1.00 0.00 C ATOM 0 H LEU A 37 2.727 21.079 -4.228 1.00 0.00 H new ATOM 0 HA LEU A 37 2.206 18.995 -2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.572 21.626 -2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.825 21.627 -2.113 1.00 0.00 H new ATOM 0 HG LEU A 37 1.786 21.582 0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.773 19.529 0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.269 20.293 -0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.685 18.850 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.228 19.732 0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.234 19.062 -0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.978 20.647 -0.479 1.00 0.00 H new ATOM 512 N GLY A 38 -0.168 18.284 -2.460 1.00 0.00 N ATOM 513 CA GLY A 38 -1.525 17.775 -2.548 1.00 0.00 C ATOM 514 C GLY A 38 -1.625 16.543 -3.426 1.00 0.00 C ATOM 515 O GLY A 38 -2.531 15.726 -3.259 1.00 0.00 O ATOM 0 H GLY A 38 0.459 17.733 -1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.886 17.535 -1.548 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.177 18.554 -2.944 1.00 0.00 H new ATOM 519 N SER A 39 -0.694 16.408 -4.364 1.00 0.00 N ATOM 520 CA SER A 39 -0.685 15.269 -5.275 1.00 0.00 C ATOM 521 C SER A 39 -0.733 13.955 -4.502 1.00 0.00 C ATOM 522 O SER A 39 0.192 13.624 -3.759 1.00 0.00 O ATOM 523 CB SER A 39 0.562 15.307 -6.161 1.00 0.00 C ATOM 524 OG SER A 39 0.704 16.572 -6.786 1.00 0.00 O ATOM 0 H SER A 39 0.065 17.073 -4.514 1.00 0.00 H new ATOM 0 HA SER A 39 -1.572 15.333 -5.905 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.446 15.093 -5.560 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.497 14.528 -6.920 1.00 0.00 H new ATOM 0 HG SER A 39 1.394 17.091 -6.322 1.00 0.00 H new ATOM 530 N PHE A 40 -1.818 13.209 -4.681 1.00 0.00 N ATOM 531 CA PHE A 40 -1.987 11.931 -4.001 1.00 0.00 C ATOM 532 C PHE A 40 -1.779 10.768 -4.967 1.00 0.00 C ATOM 533 O PHE A 40 -1.758 10.953 -6.184 1.00 0.00 O ATOM 534 CB PHE A 40 -3.381 11.844 -3.374 1.00 0.00 C ATOM 535 CG PHE A 40 -4.479 11.642 -4.379 1.00 0.00 C ATOM 536 CD1 PHE A 40 -4.856 10.366 -4.766 1.00 0.00 C ATOM 537 CD2 PHE A 40 -5.134 12.729 -4.936 1.00 0.00 C ATOM 538 CE1 PHE A 40 -5.866 10.177 -5.690 1.00 0.00 C ATOM 539 CE2 PHE A 40 -6.145 12.544 -5.861 1.00 0.00 C ATOM 540 CZ PHE A 40 -6.510 11.268 -6.239 1.00 0.00 C ATOM 0 H PHE A 40 -2.593 13.468 -5.291 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.236 11.865 -3.214 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.398 11.022 -2.659 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.576 12.758 -2.813 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.355 9.509 -4.341 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.852 13.730 -4.645 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.151 9.177 -5.982 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.649 13.398 -6.288 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.298 11.123 -6.963 1.00 0.00 H new ATOM 550 N LEU A 41 -1.627 9.569 -4.415 1.00 0.00 N ATOM 551 CA LEU A 41 -1.419 8.375 -5.226 1.00 0.00 C ATOM 552 C LEU A 41 -1.543 7.113 -4.379 1.00 0.00 C ATOM 553 O LEU A 41 -1.387 7.155 -3.158 1.00 0.00 O ATOM 554 CB LEU A 41 -0.045 8.421 -5.896 1.00 0.00 C ATOM 555 CG LEU A 41 1.126 7.903 -5.060 1.00 0.00 C ATOM 556 CD1 LEU A 41 1.108 8.525 -3.672 1.00 0.00 C ATOM 557 CD2 LEU A 41 1.085 6.385 -4.966 1.00 0.00 C ATOM 0 H LEU A 41 -1.644 9.398 -3.410 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.190 8.351 -5.996 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.092 7.841 -6.817 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.165 9.452 -6.179 1.00 0.00 H new ATOM 0 HG LEU A 41 2.054 8.192 -5.553 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.949 8.144 -3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.187 9.609 -3.758 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.175 8.268 -3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.926 6.035 -4.367 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.151 6.075 -4.497 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.148 5.957 -5.966 1.00 0.00 H new ATOM 569 N ILE A 42 -1.821 5.991 -5.034 1.00 0.00 N ATOM 570 CA ILE A 42 -1.961 4.716 -4.342 1.00 0.00 C ATOM 571 C ILE A 42 -1.096 3.641 -4.989 1.00 0.00 C ATOM 572 O ILE A 42 -0.970 3.583 -6.212 1.00 0.00 O ATOM 573 CB ILE A 42 -3.426 4.241 -4.328 1.00 0.00 C ATOM 574 CG1 ILE A 42 -4.318 5.287 -3.655 1.00 0.00 C ATOM 575 CG2 ILE A 42 -3.542 2.901 -3.616 1.00 0.00 C ATOM 576 CD1 ILE A 42 -5.727 4.802 -3.394 1.00 0.00 C ATOM 0 H ILE A 42 -1.954 5.939 -6.044 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.630 4.876 -3.316 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.761 4.113 -5.357 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.864 5.586 -2.710 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.359 6.176 -4.284 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.583 2.579 -3.614 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.934 2.160 -4.134 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.192 3.003 -2.589 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.302 5.595 -2.916 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.199 4.530 -4.338 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.697 3.931 -2.740 1.00 0.00 H new ATOM 588 N ARG A 43 -0.503 2.788 -4.159 1.00 0.00 N ATOM 589 CA ARG A 43 0.351 1.713 -4.650 1.00 0.00 C ATOM 590 C ARG A 43 -0.018 0.385 -3.997 1.00 0.00 C ATOM 591 O ARG A 43 0.170 0.199 -2.795 1.00 0.00 O ATOM 592 CB ARG A 43 1.821 2.036 -4.379 1.00 0.00 C ATOM 593 CG ARG A 43 2.169 2.098 -2.901 1.00 0.00 C ATOM 594 CD ARG A 43 3.522 2.753 -2.672 1.00 0.00 C ATOM 595 NE ARG A 43 4.609 1.779 -2.680 1.00 0.00 N ATOM 596 CZ ARG A 43 4.934 1.031 -1.632 1.00 0.00 C ATOM 597 NH1 ARG A 43 4.257 1.145 -0.498 1.00 0.00 N ATOM 598 NH2 ARG A 43 5.936 0.167 -1.716 1.00 0.00 N ATOM 0 H ARG A 43 -0.598 2.821 -3.144 1.00 0.00 H new ATOM 0 HA ARG A 43 0.198 1.624 -5.726 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.444 1.281 -4.859 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.065 2.992 -4.841 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.399 2.656 -2.368 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.177 1.090 -2.486 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.699 3.500 -3.446 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.513 3.279 -1.717 1.00 0.00 H new ATOM 0 HE ARG A 43 5.149 1.667 -3.538 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.485 1.808 -0.429 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.508 0.570 0.306 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.459 0.076 -2.587 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.184 -0.406 -0.910 1.00 0.00 H new ATOM 612 N VAL A 44 -0.545 -0.537 -4.797 1.00 0.00 N ATOM 613 CA VAL A 44 -0.941 -1.848 -4.298 1.00 0.00 C ATOM 614 C VAL A 44 -0.009 -2.316 -3.186 1.00 0.00 C ATOM 615 O VAL A 44 1.213 -2.234 -3.310 1.00 0.00 O ATOM 616 CB VAL A 44 -0.947 -2.900 -5.423 1.00 0.00 C ATOM 617 CG1 VAL A 44 -1.122 -4.297 -4.849 1.00 0.00 C ATOM 618 CG2 VAL A 44 -2.040 -2.589 -6.435 1.00 0.00 C ATOM 0 H VAL A 44 -0.708 -0.399 -5.795 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.952 -1.744 -3.903 1.00 0.00 H new ATOM 0 HB VAL A 44 0.014 -2.864 -5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.124 -5.026 -5.660 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.301 -4.515 -4.166 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.067 -4.353 -4.309 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.031 -3.342 -7.223 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.010 -2.597 -5.937 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.864 -1.605 -6.870 1.00 0.00 H new ATOM 628 N SER A 45 -0.594 -2.808 -2.098 1.00 0.00 N ATOM 629 CA SER A 45 0.183 -3.287 -0.962 1.00 0.00 C ATOM 630 C SER A 45 0.697 -4.702 -1.212 1.00 0.00 C ATOM 631 O SER A 45 0.221 -5.398 -2.110 1.00 0.00 O ATOM 632 CB SER A 45 -0.664 -3.257 0.312 1.00 0.00 C ATOM 633 OG SER A 45 -0.847 -1.930 0.773 1.00 0.00 O ATOM 0 H SER A 45 -1.604 -2.885 -1.980 1.00 0.00 H new ATOM 0 HA SER A 45 1.040 -2.625 -0.835 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.634 -3.715 0.118 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.181 -3.851 1.088 1.00 0.00 H new ATOM 0 HG SER A 45 -1.393 -1.939 1.587 1.00 0.00 H new ATOM 639 N HIS A 46 1.672 -5.121 -0.411 1.00 0.00 N ATOM 640 CA HIS A 46 2.251 -6.453 -0.545 1.00 0.00 C ATOM 641 C HIS A 46 2.325 -7.151 0.810 1.00 0.00 C ATOM 642 O HIS A 46 1.864 -8.282 0.962 1.00 0.00 O ATOM 643 CB HIS A 46 3.647 -6.367 -1.163 1.00 0.00 C ATOM 644 CG HIS A 46 3.646 -5.852 -2.570 1.00 0.00 C ATOM 645 ND1 HIS A 46 3.755 -4.513 -2.883 1.00 0.00 N ATOM 646 CD2 HIS A 46 3.553 -6.505 -3.752 1.00 0.00 C ATOM 647 CE1 HIS A 46 3.726 -4.365 -4.195 1.00 0.00 C ATOM 648 NE2 HIS A 46 3.604 -5.559 -4.746 1.00 0.00 N ATOM 0 H HIS A 46 2.077 -4.558 0.337 1.00 0.00 H new ATOM 0 HA HIS A 46 1.607 -7.037 -1.202 1.00 0.00 H new ATOM 0 HB2 HIS A 46 4.269 -5.718 -0.547 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.105 -7.356 -1.147 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.457 -7.572 -3.888 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.791 -3.427 -4.727 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.556 -5.748 -5.747 1.00 0.00 H new ATOM 656 N SER A 47 2.909 -6.470 1.790 1.00 0.00 N ATOM 657 CA SER A 47 3.049 -7.026 3.131 1.00 0.00 C ATOM 658 C SER A 47 1.699 -7.493 3.667 1.00 0.00 C ATOM 659 O SER A 47 1.535 -8.654 4.047 1.00 0.00 O ATOM 660 CB SER A 47 3.655 -5.989 4.076 1.00 0.00 C ATOM 661 OG SER A 47 5.072 -6.025 4.033 1.00 0.00 O ATOM 0 H SER A 47 3.293 -5.531 1.681 1.00 0.00 H new ATOM 0 HA SER A 47 3.716 -7.886 3.074 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.305 -4.994 3.801 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.314 -6.177 5.094 1.00 0.00 H new ATOM 0 HG SER A 47 5.435 -5.351 4.645 1.00 0.00 H new ATOM 667 N HIS A 48 0.733 -6.580 3.697 1.00 0.00 N ATOM 668 CA HIS A 48 -0.604 -6.897 4.187 1.00 0.00 C ATOM 669 C HIS A 48 -1.646 -6.698 3.089 1.00 0.00 C ATOM 670 O HIS A 48 -1.637 -5.688 2.387 1.00 0.00 O ATOM 671 CB HIS A 48 -0.947 -6.025 5.395 1.00 0.00 C ATOM 672 CG HIS A 48 -1.617 -4.735 5.032 1.00 0.00 C ATOM 673 ND1 HIS A 48 -0.926 -3.627 4.589 1.00 0.00 N ATOM 674 CD2 HIS A 48 -2.923 -4.381 5.048 1.00 0.00 C ATOM 675 CE1 HIS A 48 -1.779 -2.647 4.349 1.00 0.00 C ATOM 676 NE2 HIS A 48 -2.997 -3.079 4.618 1.00 0.00 N ATOM 0 H HIS A 48 0.851 -5.615 3.388 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.615 -7.944 4.489 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.598 -6.587 6.065 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.033 -5.807 5.947 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.753 -5.006 5.344 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -1.523 -1.660 3.993 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.854 -2.534 4.522 1.00 0.00 H new ATOM 684 N VAL A 49 -2.541 -7.670 2.948 1.00 0.00 N ATOM 685 CA VAL A 49 -3.589 -7.602 1.937 1.00 0.00 C ATOM 686 C VAL A 49 -4.352 -6.285 2.024 1.00 0.00 C ATOM 687 O VAL A 49 -4.880 -5.929 3.076 1.00 0.00 O ATOM 688 CB VAL A 49 -4.584 -8.770 2.081 1.00 0.00 C ATOM 689 CG1 VAL A 49 -5.136 -8.829 3.497 1.00 0.00 C ATOM 690 CG2 VAL A 49 -5.709 -8.638 1.066 1.00 0.00 C ATOM 0 H VAL A 49 -2.561 -8.514 3.521 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.098 -7.670 0.966 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.055 -9.703 1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.837 -9.660 3.580 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.317 -8.974 4.201 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.651 -7.896 3.726 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.403 -9.471 1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.238 -7.699 1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.293 -8.649 0.058 1.00 0.00 H new ATOM 700 N GLY A 50 -4.407 -5.565 0.907 1.00 0.00 N ATOM 701 CA GLY A 50 -5.108 -4.294 0.878 1.00 0.00 C ATOM 702 C GLY A 50 -4.428 -3.279 -0.019 1.00 0.00 C ATOM 703 O GLY A 50 -4.057 -3.589 -1.151 1.00 0.00 O ATOM 0 H GLY A 50 -3.979 -5.839 0.023 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.129 -4.453 0.532 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.173 -3.895 1.890 1.00 0.00 H new ATOM 707 N TYR A 51 -4.267 -2.060 0.486 1.00 0.00 N ATOM 708 CA TYR A 51 -3.633 -0.993 -0.278 1.00 0.00 C ATOM 709 C TYR A 51 -2.996 0.037 0.649 1.00 0.00 C ATOM 710 O TYR A 51 -3.162 -0.020 1.868 1.00 0.00 O ATOM 711 CB TYR A 51 -4.654 -0.313 -1.190 1.00 0.00 C ATOM 712 CG TYR A 51 -5.308 -1.254 -2.177 1.00 0.00 C ATOM 713 CD1 TYR A 51 -6.234 -2.199 -1.755 1.00 0.00 C ATOM 714 CD2 TYR A 51 -4.998 -1.198 -3.530 1.00 0.00 C ATOM 715 CE1 TYR A 51 -6.833 -3.062 -2.653 1.00 0.00 C ATOM 716 CE2 TYR A 51 -5.593 -2.056 -4.435 1.00 0.00 C ATOM 717 CZ TYR A 51 -6.510 -2.986 -3.992 1.00 0.00 C ATOM 718 OH TYR A 51 -7.104 -3.842 -4.891 1.00 0.00 O ATOM 0 H TYR A 51 -4.567 -1.787 1.422 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.849 -1.437 -0.891 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.426 0.149 -0.575 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.161 0.489 -1.738 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.490 -2.261 -0.708 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.280 -0.472 -3.880 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.550 -3.792 -2.308 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.341 -1.999 -5.484 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.767 -3.655 -5.792 1.00 0.00 H new ATOM 728 N THR A 52 -2.264 0.979 0.062 1.00 0.00 N ATOM 729 CA THR A 52 -1.601 2.022 0.835 1.00 0.00 C ATOM 730 C THR A 52 -1.807 3.393 0.198 1.00 0.00 C ATOM 731 O THR A 52 -1.359 3.642 -0.922 1.00 0.00 O ATOM 732 CB THR A 52 -0.089 1.751 0.963 1.00 0.00 C ATOM 733 OG1 THR A 52 0.128 0.471 1.566 1.00 0.00 O ATOM 734 CG2 THR A 52 0.585 2.831 1.796 1.00 0.00 C ATOM 0 H THR A 52 -2.115 1.041 -0.945 1.00 0.00 H new ATOM 0 HA THR A 52 -2.050 2.014 1.828 1.00 0.00 H new ATOM 0 HB THR A 52 0.347 1.761 -0.036 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.314 -0.221 1.032 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.651 2.619 1.873 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.441 3.801 1.320 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.146 2.848 2.793 1.00 0.00 H new ATOM 742 N LEU A 53 -2.488 4.277 0.918 1.00 0.00 N ATOM 743 CA LEU A 53 -2.752 5.624 0.424 1.00 0.00 C ATOM 744 C LEU A 53 -1.623 6.576 0.804 1.00 0.00 C ATOM 745 O LEU A 53 -1.197 6.619 1.958 1.00 0.00 O ATOM 746 CB LEU A 53 -4.081 6.140 0.980 1.00 0.00 C ATOM 747 CG LEU A 53 -4.422 7.596 0.658 1.00 0.00 C ATOM 748 CD1 LEU A 53 -3.600 8.540 1.522 1.00 0.00 C ATOM 749 CD2 LEU A 53 -4.193 7.883 -0.818 1.00 0.00 C ATOM 0 H LEU A 53 -2.867 4.086 1.845 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.812 5.580 -0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.882 5.507 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.070 6.021 2.063 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.477 7.760 0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.856 9.571 1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.815 8.351 2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.539 8.375 1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.441 8.923 -1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.147 7.701 -1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.827 7.230 -1.418 1.00 0.00 H new ATOM 761 N SER A 54 -1.145 7.339 -0.173 1.00 0.00 N ATOM 762 CA SER A 54 -0.063 8.290 0.060 1.00 0.00 C ATOM 763 C SER A 54 -0.269 9.557 -0.765 1.00 0.00 C ATOM 764 O SER A 54 -0.972 9.546 -1.776 1.00 0.00 O ATOM 765 CB SER A 54 1.285 7.656 -0.285 1.00 0.00 C ATOM 766 OG SER A 54 1.815 6.951 0.824 1.00 0.00 O ATOM 0 H SER A 54 -1.489 7.318 -1.133 1.00 0.00 H new ATOM 0 HA SER A 54 -0.069 8.559 1.116 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.166 6.976 -1.129 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.986 8.431 -0.596 1.00 0.00 H new ATOM 0 HG SER A 54 2.600 7.425 1.168 1.00 0.00 H new ATOM 772 N TYR A 55 0.350 10.647 -0.326 1.00 0.00 N ATOM 773 CA TYR A 55 0.235 11.924 -1.021 1.00 0.00 C ATOM 774 C TYR A 55 1.234 12.937 -0.469 1.00 0.00 C ATOM 775 O TYR A 55 1.766 12.768 0.628 1.00 0.00 O ATOM 776 CB TYR A 55 -1.187 12.472 -0.893 1.00 0.00 C ATOM 777 CG TYR A 55 -1.597 12.764 0.533 1.00 0.00 C ATOM 778 CD1 TYR A 55 -1.182 13.927 1.171 1.00 0.00 C ATOM 779 CD2 TYR A 55 -2.400 11.879 1.242 1.00 0.00 C ATOM 780 CE1 TYR A 55 -1.554 14.198 2.474 1.00 0.00 C ATOM 781 CE2 TYR A 55 -2.778 12.143 2.544 1.00 0.00 C ATOM 782 CZ TYR A 55 -2.351 13.303 3.156 1.00 0.00 C ATOM 783 OH TYR A 55 -2.725 13.571 4.453 1.00 0.00 O ATOM 0 H TYR A 55 0.937 10.672 0.508 1.00 0.00 H new ATOM 0 HA TYR A 55 0.459 11.757 -2.074 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.269 13.386 -1.480 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.885 11.753 -1.323 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.558 14.631 0.640 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.734 10.969 0.767 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.222 15.106 2.956 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.404 11.445 3.080 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.528 12.794 5.017 1.00 0.00 H new ATOM 793 N LYS A 56 1.484 13.991 -1.238 1.00 0.00 N ATOM 794 CA LYS A 56 2.416 15.034 -0.829 1.00 0.00 C ATOM 795 C LYS A 56 1.759 15.994 0.157 1.00 0.00 C ATOM 796 O LYS A 56 0.710 16.570 -0.128 1.00 0.00 O ATOM 797 CB LYS A 56 2.919 15.805 -2.051 1.00 0.00 C ATOM 798 CG LYS A 56 4.265 16.476 -1.836 1.00 0.00 C ATOM 799 CD LYS A 56 5.413 15.550 -2.203 1.00 0.00 C ATOM 800 CE LYS A 56 6.661 15.862 -1.391 1.00 0.00 C ATOM 801 NZ LYS A 56 6.587 15.289 -0.018 1.00 0.00 N ATOM 0 H LYS A 56 1.053 14.145 -2.150 1.00 0.00 H new ATOM 0 HA LYS A 56 3.263 14.557 -0.335 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.995 15.121 -2.896 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.183 16.563 -2.320 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.321 17.383 -2.438 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.359 16.779 -0.793 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.116 14.515 -2.033 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.635 15.647 -3.266 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.537 15.464 -1.904 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.792 16.942 -1.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.505 15.405 0.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.852 15.784 0.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.353 14.277 -0.076 1.00 0.00 H new ATOM 815 N ALA A 57 2.385 16.164 1.317 1.00 0.00 N ATOM 816 CA ALA A 57 1.862 17.058 2.344 1.00 0.00 C ATOM 817 C ALA A 57 2.831 18.204 2.618 1.00 0.00 C ATOM 818 O ALA A 57 4.047 18.033 2.532 1.00 0.00 O ATOM 819 CB ALA A 57 1.580 16.284 3.623 1.00 0.00 C ATOM 0 H ALA A 57 3.255 15.695 1.569 1.00 0.00 H new ATOM 0 HA ALA A 57 0.928 17.486 1.979 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.190 16.963 4.381 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.845 15.504 3.422 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.502 15.829 3.984 1.00 0.00 H new ATOM 825 N GLN A 58 2.283 19.368 2.949 1.00 0.00 N ATOM 826 CA GLN A 58 3.100 20.542 3.235 1.00 0.00 C ATOM 827 C GLN A 58 4.406 20.144 3.914 1.00 0.00 C ATOM 828 O GLN A 58 5.488 20.540 3.481 1.00 0.00 O ATOM 829 CB GLN A 58 2.329 21.523 4.120 1.00 0.00 C ATOM 830 CG GLN A 58 1.500 22.527 3.336 1.00 0.00 C ATOM 831 CD GLN A 58 0.263 22.976 4.090 1.00 0.00 C ATOM 832 OE1 GLN A 58 0.334 23.330 5.267 1.00 0.00 O ATOM 833 NE2 GLN A 58 -0.879 22.966 3.413 1.00 0.00 N ATOM 0 H GLN A 58 1.278 19.524 3.026 1.00 0.00 H new ATOM 0 HA GLN A 58 3.337 21.028 2.288 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.672 20.961 4.784 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.035 22.062 4.752 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.114 23.397 3.102 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.201 22.083 2.386 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.892 22.665 2.439 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.744 23.260 3.867 1.00 0.00 H new ATOM 842 N SER A 59 4.297 19.359 4.981 1.00 0.00 N ATOM 843 CA SER A 59 5.469 18.910 5.723 1.00 0.00 C ATOM 844 C SER A 59 6.288 17.921 4.900 1.00 0.00 C ATOM 845 O SER A 59 7.457 18.163 4.601 1.00 0.00 O ATOM 846 CB SER A 59 5.047 18.265 7.045 1.00 0.00 C ATOM 847 OG SER A 59 6.130 18.221 7.959 1.00 0.00 O ATOM 0 H SER A 59 3.409 19.021 5.351 1.00 0.00 H new ATOM 0 HA SER A 59 6.089 19.781 5.934 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.222 18.828 7.481 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.681 17.255 6.860 1.00 0.00 H new ATOM 0 HG SER A 59 5.835 17.806 8.796 1.00 0.00 H new ATOM 853 N SER A 60 5.663 16.805 4.537 1.00 0.00 N ATOM 854 CA SER A 60 6.334 15.775 3.751 1.00 0.00 C ATOM 855 C SER A 60 5.360 14.665 3.368 1.00 0.00 C ATOM 856 O SER A 60 4.222 14.633 3.837 1.00 0.00 O ATOM 857 CB SER A 60 7.510 15.191 4.535 1.00 0.00 C ATOM 858 OG SER A 60 8.698 15.926 4.298 1.00 0.00 O ATOM 0 H SER A 60 4.694 16.591 4.774 1.00 0.00 H new ATOM 0 HA SER A 60 6.710 16.236 2.837 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.280 15.199 5.600 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.660 14.150 4.249 1.00 0.00 H new ATOM 0 HG SER A 60 8.478 16.874 4.180 1.00 0.00 H new ATOM 864 N CYS A 61 5.817 13.755 2.514 1.00 0.00 N ATOM 865 CA CYS A 61 4.987 12.642 2.066 1.00 0.00 C ATOM 866 C CYS A 61 4.381 11.904 3.256 1.00 0.00 C ATOM 867 O CYS A 61 5.029 11.729 4.287 1.00 0.00 O ATOM 868 CB CYS A 61 5.812 11.674 1.217 1.00 0.00 C ATOM 869 SG CYS A 61 5.842 12.079 -0.545 1.00 0.00 S ATOM 0 H CYS A 61 6.757 13.766 2.118 1.00 0.00 H new ATOM 0 HA CYS A 61 4.176 13.045 1.460 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.835 11.659 1.593 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.412 10.668 1.341 1.00 0.00 H new ATOM 0 HG CYS A 61 6.863 11.501 -1.106 1.00 0.00 H new ATOM 875 N CYS A 62 3.132 11.476 3.104 1.00 0.00 N ATOM 876 CA CYS A 62 2.437 10.758 4.166 1.00 0.00 C ATOM 877 C CYS A 62 2.092 9.339 3.730 1.00 0.00 C ATOM 878 O CYS A 62 1.819 9.121 2.550 1.00 0.00 O ATOM 879 CB CYS A 62 1.162 11.506 4.565 1.00 0.00 C ATOM 880 SG CYS A 62 1.459 13.121 5.320 1.00 0.00 S ATOM 0 H CYS A 62 2.581 11.614 2.257 1.00 0.00 H new ATOM 0 HA CYS A 62 3.103 10.701 5.027 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.540 11.640 3.680 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.595 10.889 5.263 1.00 0.00 H new ATOM 0 HG CYS A 62 2.480 13.686 4.748 1.00 0.00 H new ATOM 886 N HIS A 63 2.113 8.413 4.677 1.00 0.00 N ATOM 887 CA HIS A 63 1.804 7.026 4.376 1.00 0.00 C ATOM 888 C HIS A 63 0.667 6.545 5.279 1.00 0.00 C ATOM 889 O HIS A 63 0.657 6.765 6.490 1.00 0.00 O ATOM 890 CB HIS A 63 3.056 6.154 4.486 1.00 0.00 C ATOM 891 CG HIS A 63 4.118 6.470 3.460 1.00 0.00 C ATOM 892 ND1 HIS A 63 3.911 6.327 2.099 1.00 0.00 N ATOM 893 CD2 HIS A 63 5.395 6.925 3.609 1.00 0.00 C ATOM 894 CE1 HIS A 63 5.020 6.681 1.467 1.00 0.00 C ATOM 895 NE2 HIS A 63 5.939 7.051 2.405 1.00 0.00 N ATOM 0 H HIS A 63 2.340 8.597 5.654 1.00 0.00 H new ATOM 0 HA HIS A 63 1.462 6.943 3.344 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.482 6.272 5.482 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.767 5.108 4.384 1.00 0.00 H new ATOM 0 HD1 HIS A 63 3.050 6.004 1.657 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.881 7.145 4.548 1.00 0.00 H new ATOM 0 HE1 HIS A 63 5.170 6.677 0.398 1.00 0.00 H new ATOM 903 N PHE A 64 -0.301 5.880 4.657 1.00 0.00 N ATOM 904 CA PHE A 64 -1.455 5.358 5.378 1.00 0.00 C ATOM 905 C PHE A 64 -1.794 3.945 4.913 1.00 0.00 C ATOM 906 O PHE A 64 -1.804 3.661 3.716 1.00 0.00 O ATOM 907 CB PHE A 64 -2.664 6.276 5.181 1.00 0.00 C ATOM 908 CG PHE A 64 -2.370 7.723 5.460 1.00 0.00 C ATOM 909 CD1 PHE A 64 -1.852 8.541 4.469 1.00 0.00 C ATOM 910 CD2 PHE A 64 -2.612 8.263 6.712 1.00 0.00 C ATOM 911 CE1 PHE A 64 -1.580 9.872 4.721 1.00 0.00 C ATOM 912 CE2 PHE A 64 -2.343 9.594 6.971 1.00 0.00 C ATOM 913 CZ PHE A 64 -1.825 10.399 5.974 1.00 0.00 C ATOM 0 H PHE A 64 -0.309 5.690 3.655 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.204 5.322 6.438 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.022 6.177 4.156 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.472 5.945 5.834 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.659 8.133 3.488 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.015 7.637 7.495 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.177 10.499 3.940 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.537 10.004 7.951 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.612 11.439 6.174 1.00 0.00 H new ATOM 923 N MET A 65 -2.072 3.064 5.869 1.00 0.00 N ATOM 924 CA MET A 65 -2.412 1.681 5.557 1.00 0.00 C ATOM 925 C MET A 65 -3.919 1.517 5.385 1.00 0.00 C ATOM 926 O MET A 65 -4.704 2.043 6.172 1.00 0.00 O ATOM 927 CB MET A 65 -1.910 0.748 6.662 1.00 0.00 C ATOM 928 CG MET A 65 -2.830 0.685 7.869 1.00 0.00 C ATOM 929 SD MET A 65 -2.401 -0.651 9.002 1.00 0.00 S ATOM 930 CE MET A 65 -3.119 -2.055 8.154 1.00 0.00 C ATOM 0 H MET A 65 -2.068 3.283 6.865 1.00 0.00 H new ATOM 0 HA MET A 65 -1.925 1.417 4.618 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.792 -0.255 6.253 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.923 1.079 6.985 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.789 1.635 8.402 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.858 0.553 7.531 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.800 -2.577 8.826 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.668 -1.709 7.278 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.327 -2.735 7.840 1.00 0.00 H new ATOM 940 N VAL A 66 -4.314 0.785 4.347 1.00 0.00 N ATOM 941 CA VAL A 66 -5.727 0.551 4.072 1.00 0.00 C ATOM 942 C VAL A 66 -6.067 -0.932 4.164 1.00 0.00 C ATOM 943 O VAL A 66 -5.585 -1.741 3.372 1.00 0.00 O ATOM 944 CB VAL A 66 -6.119 1.071 2.676 1.00 0.00 C ATOM 945 CG1 VAL A 66 -7.599 0.834 2.415 1.00 0.00 C ATOM 946 CG2 VAL A 66 -5.775 2.546 2.541 1.00 0.00 C ATOM 0 H VAL A 66 -3.676 0.345 3.684 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.292 1.097 4.828 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.549 0.519 1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.858 1.208 1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.811 -0.234 2.467 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.189 1.358 3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.059 2.896 1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.316 3.116 3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.703 2.684 2.682 1.00 0.00 H new ATOM 956 N LYS A 67 -6.902 -1.281 5.137 1.00 0.00 N ATOM 957 CA LYS A 67 -7.310 -2.668 5.333 1.00 0.00 C ATOM 958 C LYS A 67 -8.483 -3.024 4.426 1.00 0.00 C ATOM 959 O LYS A 67 -9.156 -2.143 3.890 1.00 0.00 O ATOM 960 CB LYS A 67 -7.692 -2.906 6.796 1.00 0.00 C ATOM 961 CG LYS A 67 -6.702 -2.317 7.787 1.00 0.00 C ATOM 962 CD LYS A 67 -7.118 -2.596 9.222 1.00 0.00 C ATOM 963 CE LYS A 67 -8.160 -1.598 9.704 1.00 0.00 C ATOM 964 NZ LYS A 67 -8.542 -1.837 11.123 1.00 0.00 N ATOM 0 H LYS A 67 -7.309 -0.623 5.802 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.467 -3.309 5.074 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.677 -2.476 6.980 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.774 -3.979 6.971 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.712 -2.735 7.606 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.627 -1.241 7.632 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.519 -3.607 9.296 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.243 -2.552 9.871 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.770 -0.586 9.599 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.046 -1.665 9.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.254 -1.137 11.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.938 -2.794 11.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.701 -1.748 11.729 1.00 0.00 H new ATOM 978 N LEU A 68 -8.724 -4.319 4.260 1.00 0.00 N ATOM 979 CA LEU A 68 -9.818 -4.793 3.418 1.00 0.00 C ATOM 980 C LEU A 68 -10.915 -5.435 4.260 1.00 0.00 C ATOM 981 O LEU A 68 -10.830 -6.612 4.617 1.00 0.00 O ATOM 982 CB LEU A 68 -9.298 -5.794 2.387 1.00 0.00 C ATOM 983 CG LEU A 68 -10.072 -5.866 1.069 1.00 0.00 C ATOM 984 CD1 LEU A 68 -9.460 -6.907 0.146 1.00 0.00 C ATOM 985 CD2 LEU A 68 -11.539 -6.178 1.330 1.00 0.00 C ATOM 0 H LEU A 68 -8.177 -5.061 4.697 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.242 -3.934 2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.260 -5.547 2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.299 -6.785 2.840 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.008 -4.895 0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.024 -6.944 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.425 -6.641 -0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.492 -7.884 0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.075 -6.226 0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -11.622 -7.137 1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.972 -5.395 1.953 1.00 0.00 H new ATOM 997 N LEU A 69 -11.945 -4.658 4.574 1.00 0.00 N ATOM 998 CA LEU A 69 -13.061 -5.152 5.374 1.00 0.00 C ATOM 999 C LEU A 69 -13.586 -6.472 4.818 1.00 0.00 C ATOM 1000 O LEU A 69 -13.092 -6.972 3.807 1.00 0.00 O ATOM 1001 CB LEU A 69 -14.187 -4.117 5.409 1.00 0.00 C ATOM 1002 CG LEU A 69 -13.898 -2.840 6.198 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -12.939 -3.124 7.343 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -13.335 -1.762 5.283 1.00 0.00 C ATOM 0 H LEU A 69 -12.031 -3.683 4.287 1.00 0.00 H new ATOM 0 HA LEU A 69 -12.701 -5.323 6.389 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -14.431 -3.840 4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.074 -4.589 5.831 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.836 -2.477 6.619 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.746 -2.203 7.893 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.381 -3.861 8.014 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.002 -3.512 6.945 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -13.136 -0.861 5.862 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.408 -2.116 4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -14.058 -1.537 4.499 1.00 0.00 H new ATOM 1016 N ASP A 70 -14.591 -7.031 5.484 1.00 0.00 N ATOM 1017 CA ASP A 70 -15.186 -8.291 5.055 1.00 0.00 C ATOM 1018 C ASP A 70 -16.263 -8.053 4.002 1.00 0.00 C ATOM 1019 O ASP A 70 -16.580 -8.942 3.212 1.00 0.00 O ATOM 1020 CB ASP A 70 -15.781 -9.032 6.253 1.00 0.00 C ATOM 1021 CG ASP A 70 -16.617 -10.228 5.838 1.00 0.00 C ATOM 1022 OD1 ASP A 70 -16.029 -11.236 5.393 1.00 0.00 O ATOM 1023 OD2 ASP A 70 -17.857 -10.154 5.956 1.00 0.00 O ATOM 0 H ASP A 70 -15.010 -6.631 6.323 1.00 0.00 H new ATOM 0 HA ASP A 70 -14.400 -8.903 4.612 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.975 -9.365 6.907 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.398 -8.345 6.832 1.00 0.00 H new ATOM 1028 N ASP A 71 -16.823 -6.848 3.997 1.00 0.00 N ATOM 1029 CA ASP A 71 -17.865 -6.492 3.041 1.00 0.00 C ATOM 1030 C ASP A 71 -17.257 -6.050 1.714 1.00 0.00 C ATOM 1031 O ASP A 71 -17.889 -5.338 0.936 1.00 0.00 O ATOM 1032 CB ASP A 71 -18.748 -5.380 3.607 1.00 0.00 C ATOM 1033 CG ASP A 71 -19.916 -5.918 4.409 1.00 0.00 C ATOM 1034 OD1 ASP A 71 -20.778 -6.600 3.816 1.00 0.00 O ATOM 1035 OD2 ASP A 71 -19.969 -5.659 5.630 1.00 0.00 O ATOM 0 H ASP A 71 -16.572 -6.101 4.645 1.00 0.00 H new ATOM 0 HA ASP A 71 -18.477 -7.376 2.863 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -18.146 -4.729 4.241 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -19.125 -4.768 2.788 1.00 0.00 H new ATOM 1040 N GLY A 72 -16.023 -6.478 1.462 1.00 0.00 N ATOM 1041 CA GLY A 72 -15.349 -6.115 0.229 1.00 0.00 C ATOM 1042 C GLY A 72 -15.095 -4.624 0.124 1.00 0.00 C ATOM 1043 O GLY A 72 -14.961 -4.085 -0.975 1.00 0.00 O ATOM 0 H GLY A 72 -15.479 -7.069 2.090 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.400 -6.647 0.167 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.952 -6.438 -0.620 1.00 0.00 H new ATOM 1047 N THR A 73 -15.029 -3.955 1.270 1.00 0.00 N ATOM 1048 CA THR A 73 -14.792 -2.517 1.303 1.00 0.00 C ATOM 1049 C THR A 73 -13.432 -2.198 1.912 1.00 0.00 C ATOM 1050 O THR A 73 -12.707 -3.095 2.343 1.00 0.00 O ATOM 1051 CB THR A 73 -15.885 -1.785 2.105 1.00 0.00 C ATOM 1052 OG1 THR A 73 -15.711 -2.030 3.505 1.00 0.00 O ATOM 1053 CG2 THR A 73 -17.270 -2.243 1.674 1.00 0.00 C ATOM 0 H THR A 73 -15.136 -4.386 2.188 1.00 0.00 H new ATOM 0 HA THR A 73 -14.816 -2.169 0.270 1.00 0.00 H new ATOM 0 HB THR A 73 -15.795 -0.717 1.909 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.408 -1.560 4.008 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.025 -1.713 2.254 1.00 0.00 H new ATOM 0 HG22 THR A 73 -17.410 -2.030 0.614 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.368 -3.315 1.845 1.00 0.00 H new ATOM 1061 N PHE A 74 -13.090 -0.914 1.944 1.00 0.00 N ATOM 1062 CA PHE A 74 -11.815 -0.476 2.499 1.00 0.00 C ATOM 1063 C PHE A 74 -12.011 0.703 3.447 1.00 0.00 C ATOM 1064 O PHE A 74 -12.663 1.688 3.103 1.00 0.00 O ATOM 1065 CB PHE A 74 -10.851 -0.087 1.376 1.00 0.00 C ATOM 1066 CG PHE A 74 -10.777 -1.101 0.271 1.00 0.00 C ATOM 1067 CD1 PHE A 74 -11.716 -1.104 -0.748 1.00 0.00 C ATOM 1068 CD2 PHE A 74 -9.770 -2.052 0.252 1.00 0.00 C ATOM 1069 CE1 PHE A 74 -11.652 -2.036 -1.767 1.00 0.00 C ATOM 1070 CE2 PHE A 74 -9.700 -2.985 -0.765 1.00 0.00 C ATOM 1071 CZ PHE A 74 -10.642 -2.979 -1.774 1.00 0.00 C ATOM 0 H PHE A 74 -13.678 -0.159 1.592 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.389 -1.306 3.062 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -11.160 0.871 0.959 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.855 0.054 1.796 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -12.508 -0.369 -0.746 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.032 -2.064 1.040 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -12.390 -2.027 -2.556 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.908 -3.719 -0.770 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.590 -3.710 -2.567 1.00 0.00 H new ATOM 1081 N MET A 75 -11.443 0.594 4.644 1.00 0.00 N ATOM 1082 CA MET A 75 -11.554 1.651 5.642 1.00 0.00 C ATOM 1083 C MET A 75 -10.232 1.846 6.378 1.00 0.00 C ATOM 1084 O MET A 75 -9.669 0.897 6.924 1.00 0.00 O ATOM 1085 CB MET A 75 -12.664 1.322 6.643 1.00 0.00 C ATOM 1086 CG MET A 75 -12.526 2.056 7.967 1.00 0.00 C ATOM 1087 SD MET A 75 -14.098 2.228 8.832 1.00 0.00 S ATOM 1088 CE MET A 75 -13.815 3.740 9.752 1.00 0.00 C ATOM 0 H MET A 75 -10.901 -0.216 4.946 1.00 0.00 H new ATOM 0 HA MET A 75 -11.802 2.578 5.126 1.00 0.00 H new ATOM 0 HB2 MET A 75 -13.628 1.570 6.198 1.00 0.00 H new ATOM 0 HB3 MET A 75 -12.666 0.248 6.831 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.822 1.520 8.604 1.00 0.00 H new ATOM 0 HG3 MET A 75 -12.104 3.045 7.788 1.00 0.00 H new ATOM 0 HE1 MET A 75 -14.770 4.152 10.077 1.00 0.00 H new ATOM 0 HE2 MET A 75 -13.197 3.525 10.624 1.00 0.00 H new ATOM 0 HE3 MET A 75 -13.305 4.463 9.115 1.00 0.00 H new ATOM 1098 N ILE A 76 -9.742 3.081 6.386 1.00 0.00 N ATOM 1099 CA ILE A 76 -8.487 3.400 7.055 1.00 0.00 C ATOM 1100 C ILE A 76 -8.647 3.360 8.572 1.00 0.00 C ATOM 1101 O ILE A 76 -9.640 3.829 9.128 1.00 0.00 O ATOM 1102 CB ILE A 76 -7.964 4.787 6.641 1.00 0.00 C ATOM 1103 CG1 ILE A 76 -7.730 4.838 5.131 1.00 0.00 C ATOM 1104 CG2 ILE A 76 -6.683 5.118 7.393 1.00 0.00 C ATOM 1105 CD1 ILE A 76 -7.573 6.242 4.590 1.00 0.00 C ATOM 0 H ILE A 76 -10.195 3.877 5.937 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.765 2.643 6.748 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.716 5.533 6.899 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.836 4.263 4.891 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.566 4.354 4.626 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.326 6.102 7.089 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.880 5.119 8.465 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.924 4.370 7.165 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.410 6.201 3.513 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.476 6.815 4.799 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.719 6.723 5.068 1.00 0.00 H new ATOM 1117 N PRO A 77 -7.644 2.791 9.258 1.00 0.00 N ATOM 1118 CA PRO A 77 -7.649 2.679 10.719 1.00 0.00 C ATOM 1119 C PRO A 77 -7.480 4.031 11.405 1.00 0.00 C ATOM 1120 O PRO A 77 -6.404 4.628 11.365 1.00 0.00 O ATOM 1121 CB PRO A 77 -6.447 1.778 11.010 1.00 0.00 C ATOM 1122 CG PRO A 77 -5.537 1.973 9.846 1.00 0.00 C ATOM 1123 CD PRO A 77 -6.430 2.212 8.660 1.00 0.00 C ATOM 0 HA PRO A 77 -8.594 2.286 11.094 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.960 2.057 11.944 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.748 0.735 11.107 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.870 2.819 10.009 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.908 1.096 9.691 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.972 2.893 7.943 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.647 1.286 8.127 1.00 0.00 H new ATOM 1131 N GLY A 78 -8.550 4.508 12.033 1.00 0.00 N ATOM 1132 CA GLY A 78 -8.498 5.786 12.719 1.00 0.00 C ATOM 1133 C GLY A 78 -9.601 6.728 12.274 1.00 0.00 C ATOM 1134 O GLY A 78 -9.833 7.761 12.900 1.00 0.00 O ATOM 0 H GLY A 78 -9.451 4.033 12.079 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.576 5.622 13.794 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.530 6.253 12.538 1.00 0.00 H new ATOM 1138 N GLU A 79 -10.280 6.371 11.188 1.00 0.00 N ATOM 1139 CA GLU A 79 -11.361 7.192 10.660 1.00 0.00 C ATOM 1140 C GLU A 79 -12.717 6.684 11.141 1.00 0.00 C ATOM 1141 O GLU A 79 -12.797 5.728 11.913 1.00 0.00 O ATOM 1142 CB GLU A 79 -11.322 7.205 9.130 1.00 0.00 C ATOM 1143 CG GLU A 79 -9.938 7.461 8.559 1.00 0.00 C ATOM 1144 CD GLU A 79 -9.974 7.837 7.090 1.00 0.00 C ATOM 1145 OE1 GLU A 79 -10.407 6.997 6.274 1.00 0.00 O ATOM 1146 OE2 GLU A 79 -9.569 8.970 6.758 1.00 0.00 O ATOM 0 H GLU A 79 -10.100 5.519 10.658 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.222 8.208 11.028 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.688 6.248 8.757 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.004 7.972 8.764 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.458 8.261 9.123 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.325 6.569 8.687 1.00 0.00 H new ATOM 1153 N LYS A 80 -13.782 7.330 10.680 1.00 0.00 N ATOM 1154 CA LYS A 80 -15.136 6.944 11.060 1.00 0.00 C ATOM 1155 C LYS A 80 -15.997 6.690 9.828 1.00 0.00 C ATOM 1156 O LYS A 80 -17.226 6.693 9.904 1.00 0.00 O ATOM 1157 CB LYS A 80 -15.775 8.033 11.926 1.00 0.00 C ATOM 1158 CG LYS A 80 -15.074 8.241 13.258 1.00 0.00 C ATOM 1159 CD LYS A 80 -13.887 9.181 13.122 1.00 0.00 C ATOM 1160 CE LYS A 80 -14.337 10.626 12.962 1.00 0.00 C ATOM 1161 NZ LYS A 80 -13.204 11.523 12.604 1.00 0.00 N ATOM 0 H LYS A 80 -13.734 8.124 10.042 1.00 0.00 H new ATOM 0 HA LYS A 80 -15.075 6.020 11.635 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.773 8.973 11.373 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.818 7.774 12.110 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.780 8.647 13.982 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.736 7.280 13.646 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.249 9.093 14.001 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.286 8.888 12.261 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.104 10.684 12.190 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.793 10.969 13.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.551 12.498 12.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.483 11.487 13.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.785 11.211 11.705 1.00 0.00 H new ATOM 1175 N VAL A 81 -15.345 6.467 8.691 1.00 0.00 N ATOM 1176 CA VAL A 81 -16.051 6.208 7.442 1.00 0.00 C ATOM 1177 C VAL A 81 -15.315 5.172 6.600 1.00 0.00 C ATOM 1178 O VAL A 81 -14.125 4.931 6.794 1.00 0.00 O ATOM 1179 CB VAL A 81 -16.221 7.497 6.617 1.00 0.00 C ATOM 1180 CG1 VAL A 81 -17.382 8.323 7.147 1.00 0.00 C ATOM 1181 CG2 VAL A 81 -14.933 8.308 6.622 1.00 0.00 C ATOM 0 H VAL A 81 -14.328 6.461 8.609 1.00 0.00 H new ATOM 0 HA VAL A 81 -17.035 5.823 7.708 1.00 0.00 H new ATOM 0 HB VAL A 81 -16.445 7.220 5.587 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.486 9.230 6.551 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.301 7.741 7.085 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -17.193 8.592 8.186 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -15.072 9.215 6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -14.676 8.576 7.647 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -14.128 7.715 6.189 1.00 0.00 H new ATOM 1191 N ALA A 82 -16.034 4.561 5.664 1.00 0.00 N ATOM 1192 CA ALA A 82 -15.449 3.551 4.789 1.00 0.00 C ATOM 1193 C ALA A 82 -15.754 3.850 3.325 1.00 0.00 C ATOM 1194 O ALA A 82 -16.339 4.884 3.001 1.00 0.00 O ATOM 1195 CB ALA A 82 -15.960 2.168 5.166 1.00 0.00 C ATOM 0 H ALA A 82 -17.022 4.747 5.492 1.00 0.00 H new ATOM 0 HA ALA A 82 -14.367 3.574 4.919 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.516 1.423 4.505 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.686 1.948 6.198 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -17.045 2.141 5.065 1.00 0.00 H new ATOM 1201 N HIS A 83 -15.354 2.938 2.445 1.00 0.00 N ATOM 1202 CA HIS A 83 -15.585 3.104 1.014 1.00 0.00 C ATOM 1203 C HIS A 83 -15.508 1.763 0.292 1.00 0.00 C ATOM 1204 O HIS A 83 -14.661 0.925 0.603 1.00 0.00 O ATOM 1205 CB HIS A 83 -14.564 4.076 0.422 1.00 0.00 C ATOM 1206 CG HIS A 83 -14.250 5.235 1.316 1.00 0.00 C ATOM 1207 ND1 HIS A 83 -15.003 6.389 1.344 1.00 0.00 N ATOM 1208 CD2 HIS A 83 -13.257 5.412 2.220 1.00 0.00 C ATOM 1209 CE1 HIS A 83 -14.486 7.228 2.225 1.00 0.00 C ATOM 1210 NE2 HIS A 83 -13.426 6.659 2.770 1.00 0.00 N ATOM 0 H HIS A 83 -14.869 2.077 2.697 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.586 3.512 0.877 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -13.643 3.535 0.206 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -14.943 4.453 -0.528 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -12.478 4.705 2.463 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -14.866 8.211 2.459 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -12.830 7.078 3.484 1.00 0.00 H new ATOM 1218 N THR A 84 -16.399 1.564 -0.675 1.00 0.00 N ATOM 1219 CA THR A 84 -16.434 0.325 -1.440 1.00 0.00 C ATOM 1220 C THR A 84 -15.073 0.021 -2.057 1.00 0.00 C ATOM 1221 O THR A 84 -14.551 -1.085 -1.920 1.00 0.00 O ATOM 1222 CB THR A 84 -17.491 0.383 -2.558 1.00 0.00 C ATOM 1223 OG1 THR A 84 -17.262 1.527 -3.388 1.00 0.00 O ATOM 1224 CG2 THR A 84 -18.894 0.446 -1.975 1.00 0.00 C ATOM 0 H THR A 84 -17.107 2.247 -0.946 1.00 0.00 H new ATOM 0 HA THR A 84 -16.699 -0.469 -0.742 1.00 0.00 H new ATOM 0 HB THR A 84 -17.405 -0.524 -3.157 1.00 0.00 H new ATOM 0 HG1 THR A 84 -17.937 1.556 -4.098 1.00 0.00 H new ATOM 0 HG21 THR A 84 -19.623 0.486 -2.784 1.00 0.00 H new ATOM 0 HG22 THR A 84 -19.075 -0.440 -1.367 1.00 0.00 H new ATOM 0 HG23 THR A 84 -18.991 1.337 -1.355 1.00 0.00 H new ATOM 1232 N SER A 85 -14.503 1.011 -2.737 1.00 0.00 N ATOM 1233 CA SER A 85 -13.204 0.849 -3.378 1.00 0.00 C ATOM 1234 C SER A 85 -12.394 2.140 -3.300 1.00 0.00 C ATOM 1235 O SER A 85 -12.953 3.229 -3.158 1.00 0.00 O ATOM 1236 CB SER A 85 -13.381 0.433 -4.839 1.00 0.00 C ATOM 1237 OG SER A 85 -13.846 -0.903 -4.936 1.00 0.00 O ATOM 0 H SER A 85 -14.921 1.934 -2.858 1.00 0.00 H new ATOM 0 HA SER A 85 -12.660 0.067 -2.848 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.087 1.104 -5.328 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.432 0.530 -5.366 1.00 0.00 H new ATOM 0 HG SER A 85 -13.953 -1.145 -5.880 1.00 0.00 H new ATOM 1243 N LEU A 86 -11.076 2.011 -3.393 1.00 0.00 N ATOM 1244 CA LEU A 86 -10.187 3.166 -3.334 1.00 0.00 C ATOM 1245 C LEU A 86 -10.834 4.384 -3.984 1.00 0.00 C ATOM 1246 O LEU A 86 -10.828 5.479 -3.420 1.00 0.00 O ATOM 1247 CB LEU A 86 -8.860 2.849 -4.025 1.00 0.00 C ATOM 1248 CG LEU A 86 -8.037 1.716 -3.411 1.00 0.00 C ATOM 1249 CD1 LEU A 86 -6.946 1.268 -4.370 1.00 0.00 C ATOM 1250 CD2 LEU A 86 -7.435 2.153 -2.083 1.00 0.00 C ATOM 0 H LEU A 86 -10.598 1.117 -3.510 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.997 3.395 -2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.066 2.599 -5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.251 3.753 -4.029 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.700 0.871 -3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.371 0.461 -3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.399 0.914 -5.296 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.285 2.107 -4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.853 1.334 -1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.787 3.014 -2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.234 2.424 -1.393 1.00 0.00 H new ATOM 1262 N ASP A 87 -11.394 4.187 -5.172 1.00 0.00 N ATOM 1263 CA ASP A 87 -12.049 5.268 -5.899 1.00 0.00 C ATOM 1264 C ASP A 87 -12.976 6.057 -4.980 1.00 0.00 C ATOM 1265 O ASP A 87 -12.802 7.260 -4.789 1.00 0.00 O ATOM 1266 CB ASP A 87 -12.838 4.711 -7.085 1.00 0.00 C ATOM 1267 CG ASP A 87 -12.002 4.625 -8.347 1.00 0.00 C ATOM 1268 OD1 ASP A 87 -11.525 5.679 -8.815 1.00 0.00 O ATOM 1269 OD2 ASP A 87 -11.827 3.502 -8.867 1.00 0.00 O ATOM 0 H ASP A 87 -11.408 3.287 -5.653 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.277 5.941 -6.272 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -13.214 3.719 -6.834 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -13.706 5.344 -7.270 1.00 0.00 H new ATOM 1274 N ALA A 88 -13.963 5.369 -4.413 1.00 0.00 N ATOM 1275 CA ALA A 88 -14.917 6.005 -3.513 1.00 0.00 C ATOM 1276 C ALA A 88 -14.244 6.439 -2.216 1.00 0.00 C ATOM 1277 O ALA A 88 -14.861 7.092 -1.372 1.00 0.00 O ATOM 1278 CB ALA A 88 -16.074 5.062 -3.221 1.00 0.00 C ATOM 0 H ALA A 88 -14.122 4.372 -4.561 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.305 6.897 -4.005 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -16.779 5.549 -2.548 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.579 4.806 -4.153 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -15.694 4.154 -2.753 1.00 0.00 H new ATOM 1284 N LEU A 89 -12.977 6.072 -2.061 1.00 0.00 N ATOM 1285 CA LEU A 89 -12.219 6.423 -0.866 1.00 0.00 C ATOM 1286 C LEU A 89 -11.307 7.617 -1.128 1.00 0.00 C ATOM 1287 O LEU A 89 -10.942 8.348 -0.208 1.00 0.00 O ATOM 1288 CB LEU A 89 -11.390 5.227 -0.394 1.00 0.00 C ATOM 1289 CG LEU A 89 -10.062 5.559 0.287 1.00 0.00 C ATOM 1290 CD1 LEU A 89 -9.714 4.500 1.322 1.00 0.00 C ATOM 1291 CD2 LEU A 89 -8.950 5.684 -0.745 1.00 0.00 C ATOM 0 H LEU A 89 -12.453 5.531 -2.749 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.928 6.697 -0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.995 4.642 0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.185 4.590 -1.254 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.166 6.517 0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.766 4.753 1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.498 4.458 2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.628 3.529 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.012 5.921 -0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.846 4.742 -1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -9.195 6.479 -1.449 1.00 0.00 H new ATOM 1303 N VAL A 90 -10.944 7.810 -2.393 1.00 0.00 N ATOM 1304 CA VAL A 90 -10.077 8.917 -2.779 1.00 0.00 C ATOM 1305 C VAL A 90 -10.865 10.219 -2.886 1.00 0.00 C ATOM 1306 O VAL A 90 -10.393 11.280 -2.474 1.00 0.00 O ATOM 1307 CB VAL A 90 -9.378 8.641 -4.123 1.00 0.00 C ATOM 1308 CG1 VAL A 90 -8.584 9.858 -4.572 1.00 0.00 C ATOM 1309 CG2 VAL A 90 -8.479 7.419 -4.012 1.00 0.00 C ATOM 0 H VAL A 90 -11.237 7.214 -3.167 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.322 9.015 -1.999 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.140 8.437 -4.875 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.097 9.644 -5.523 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.257 10.707 -4.691 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.828 10.096 -3.823 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -7.992 7.237 -4.970 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.722 7.593 -3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.078 6.550 -3.739 1.00 0.00 H new ATOM 1319 N THR A 91 -12.068 10.132 -3.444 1.00 0.00 N ATOM 1320 CA THR A 91 -12.921 11.303 -3.607 1.00 0.00 C ATOM 1321 C THR A 91 -13.284 11.911 -2.257 1.00 0.00 C ATOM 1322 O THR A 91 -13.311 13.131 -2.103 1.00 0.00 O ATOM 1323 CB THR A 91 -14.215 10.953 -4.365 1.00 0.00 C ATOM 1324 OG1 THR A 91 -13.902 10.491 -5.684 1.00 0.00 O ATOM 1325 CG2 THR A 91 -15.136 12.161 -4.451 1.00 0.00 C ATOM 0 H THR A 91 -12.474 9.263 -3.791 1.00 0.00 H new ATOM 0 HA THR A 91 -12.353 12.030 -4.188 1.00 0.00 H new ATOM 0 HB THR A 91 -14.728 10.163 -3.816 1.00 0.00 H new ATOM 0 HG1 THR A 91 -14.731 10.269 -6.158 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.043 11.889 -4.991 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.397 12.492 -3.446 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.628 12.969 -4.978 1.00 0.00 H new ATOM 1333 N PHE A 92 -13.563 11.052 -1.282 1.00 0.00 N ATOM 1334 CA PHE A 92 -13.925 11.505 0.055 1.00 0.00 C ATOM 1335 C PHE A 92 -12.707 12.057 0.791 1.00 0.00 C ATOM 1336 O PHE A 92 -12.836 12.880 1.697 1.00 0.00 O ATOM 1337 CB PHE A 92 -14.542 10.356 0.856 1.00 0.00 C ATOM 1338 CG PHE A 92 -15.215 10.803 2.123 1.00 0.00 C ATOM 1339 CD1 PHE A 92 -14.470 11.090 3.255 1.00 0.00 C ATOM 1340 CD2 PHE A 92 -16.593 10.933 2.182 1.00 0.00 C ATOM 1341 CE1 PHE A 92 -15.086 11.501 4.422 1.00 0.00 C ATOM 1342 CE2 PHE A 92 -17.214 11.345 3.345 1.00 0.00 C ATOM 1343 CZ PHE A 92 -16.460 11.628 4.467 1.00 0.00 C ATOM 0 H PHE A 92 -13.545 10.038 -1.393 1.00 0.00 H new ATOM 0 HA PHE A 92 -14.659 12.304 -0.046 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -15.269 9.837 0.231 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -13.762 9.636 1.103 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -13.395 10.991 3.225 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -17.188 10.710 1.309 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -14.493 11.722 5.297 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -18.289 11.446 3.377 1.00 0.00 H new ATOM 0 HZ PHE A 92 -16.944 11.948 5.378 1.00 0.00 H new ATOM 1353 N HIS A 93 -11.526 11.596 0.394 1.00 0.00 N ATOM 1354 CA HIS A 93 -10.283 12.043 1.015 1.00 0.00 C ATOM 1355 C HIS A 93 -9.937 13.464 0.577 1.00 0.00 C ATOM 1356 O HIS A 93 -9.254 14.195 1.294 1.00 0.00 O ATOM 1357 CB HIS A 93 -9.139 11.094 0.658 1.00 0.00 C ATOM 1358 CG HIS A 93 -9.004 9.938 1.599 1.00 0.00 C ATOM 1359 ND1 HIS A 93 -9.410 9.988 2.917 1.00 0.00 N ATOM 1360 CD2 HIS A 93 -8.505 8.694 1.408 1.00 0.00 C ATOM 1361 CE1 HIS A 93 -9.165 8.826 3.495 1.00 0.00 C ATOM 1362 NE2 HIS A 93 -8.617 8.023 2.602 1.00 0.00 N ATOM 0 H HIS A 93 -11.402 10.914 -0.354 1.00 0.00 H new ATOM 0 HA HIS A 93 -10.424 12.039 2.096 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -9.295 10.714 -0.352 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -8.204 11.654 0.647 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -9.833 10.796 3.373 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -8.095 8.302 0.489 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -9.377 8.575 4.524 1.00 0.00 H new ATOM 1370 N GLN A 94 -10.414 13.846 -0.603 1.00 0.00 N ATOM 1371 CA GLN A 94 -10.153 15.178 -1.136 1.00 0.00 C ATOM 1372 C GLN A 94 -10.901 16.240 -0.338 1.00 0.00 C ATOM 1373 O GLN A 94 -10.668 17.436 -0.507 1.00 0.00 O ATOM 1374 CB GLN A 94 -10.558 15.250 -2.609 1.00 0.00 C ATOM 1375 CG GLN A 94 -9.478 14.767 -3.562 1.00 0.00 C ATOM 1376 CD GLN A 94 -10.032 14.348 -4.909 1.00 0.00 C ATOM 1377 OE1 GLN A 94 -10.970 13.553 -4.987 1.00 0.00 O ATOM 1378 NE2 GLN A 94 -9.455 14.879 -5.980 1.00 0.00 N ATOM 0 H GLN A 94 -10.983 13.253 -1.208 1.00 0.00 H new ATOM 0 HA GLN A 94 -9.084 15.372 -1.051 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -11.457 14.652 -2.759 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.815 16.280 -2.856 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.745 15.561 -3.706 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -8.952 13.925 -3.112 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.681 15.534 -5.870 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.786 14.632 -6.913 1.00 0.00 H new ATOM 1387 N GLN A 95 -11.801 15.794 0.533 1.00 0.00 N ATOM 1388 CA GLN A 95 -12.584 16.707 1.356 1.00 0.00 C ATOM 1389 C GLN A 95 -12.341 16.447 2.840 1.00 0.00 C ATOM 1390 O GLN A 95 -12.510 17.337 3.673 1.00 0.00 O ATOM 1391 CB GLN A 95 -14.075 16.563 1.039 1.00 0.00 C ATOM 1392 CG GLN A 95 -14.391 16.655 -0.444 1.00 0.00 C ATOM 1393 CD GLN A 95 -15.878 16.783 -0.717 1.00 0.00 C ATOM 1394 OE1 GLN A 95 -16.522 17.735 -0.276 1.00 0.00 O ATOM 1395 NE2 GLN A 95 -16.430 15.820 -1.447 1.00 0.00 N ATOM 0 H GLN A 95 -12.005 14.807 0.686 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.267 17.724 1.127 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.428 15.604 1.419 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -14.628 17.339 1.569 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.872 17.514 -0.870 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -14.008 15.768 -0.949 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -15.857 15.050 -1.792 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -17.426 15.851 -1.663 1.00 0.00 H new ATOM 1404 N LYS A 96 -11.945 15.221 3.163 1.00 0.00 N ATOM 1405 CA LYS A 96 -11.677 14.842 4.546 1.00 0.00 C ATOM 1406 C LYS A 96 -10.294 14.213 4.680 1.00 0.00 C ATOM 1407 O LYS A 96 -10.008 13.159 4.112 1.00 0.00 O ATOM 1408 CB LYS A 96 -12.744 13.865 5.044 1.00 0.00 C ATOM 1409 CG LYS A 96 -13.966 14.546 5.633 1.00 0.00 C ATOM 1410 CD LYS A 96 -13.784 14.838 7.113 1.00 0.00 C ATOM 1411 CE LYS A 96 -13.893 13.573 7.949 1.00 0.00 C ATOM 1412 NZ LYS A 96 -13.239 13.727 9.278 1.00 0.00 N ATOM 0 H LYS A 96 -11.802 14.472 2.486 1.00 0.00 H new ATOM 0 HA LYS A 96 -11.706 15.745 5.156 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.057 13.229 4.216 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.303 13.213 5.798 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.158 15.477 5.099 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.841 13.911 5.492 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.811 15.300 7.276 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.537 15.556 7.438 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.944 13.320 8.089 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.434 12.743 7.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.336 12.843 9.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.230 13.943 9.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.694 14.503 9.801 1.00 0.00 H new ATOM 1426 N PRO A 97 -9.416 14.872 5.449 1.00 0.00 N ATOM 1427 CA PRO A 97 -8.049 14.395 5.677 1.00 0.00 C ATOM 1428 C PRO A 97 -8.010 13.138 6.539 1.00 0.00 C ATOM 1429 O PRO A 97 -9.045 12.527 6.809 1.00 0.00 O ATOM 1430 CB PRO A 97 -7.382 15.564 6.406 1.00 0.00 C ATOM 1431 CG PRO A 97 -8.503 16.288 7.068 1.00 0.00 C ATOM 1432 CD PRO A 97 -9.690 16.134 6.157 1.00 0.00 C ATOM 0 HA PRO A 97 -7.554 14.117 4.747 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.653 15.211 7.136 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -6.849 16.212 5.710 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -8.710 15.870 8.053 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.257 17.340 7.214 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.623 16.085 6.718 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -9.777 16.972 5.465 1.00 0.00 H new ATOM 1440 N ILE A 98 -6.812 12.758 6.970 1.00 0.00 N ATOM 1441 CA ILE A 98 -6.640 11.574 7.804 1.00 0.00 C ATOM 1442 C ILE A 98 -6.607 11.943 9.283 1.00 0.00 C ATOM 1443 O ILE A 98 -6.055 12.975 9.662 1.00 0.00 O ATOM 1444 CB ILE A 98 -5.348 10.816 7.446 1.00 0.00 C ATOM 1445 CG1 ILE A 98 -5.019 10.997 5.963 1.00 0.00 C ATOM 1446 CG2 ILE A 98 -5.487 9.340 7.787 1.00 0.00 C ATOM 1447 CD1 ILE A 98 -6.162 10.632 5.041 1.00 0.00 C ATOM 0 H ILE A 98 -5.946 13.252 6.756 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.496 10.927 7.613 1.00 0.00 H new ATOM 0 HB ILE A 98 -4.528 11.228 8.034 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.737 12.035 5.786 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -4.152 10.385 5.714 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.566 8.818 7.528 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -5.679 9.230 8.854 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.316 8.913 7.223 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.857 10.785 4.006 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -6.430 9.586 5.190 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -7.024 11.262 5.263 1.00 0.00 H new ATOM 1459 N GLU A 99 -7.201 11.092 10.113 1.00 0.00 N ATOM 1460 CA GLU A 99 -7.238 11.329 11.551 1.00 0.00 C ATOM 1461 C GLU A 99 -5.947 11.987 12.028 1.00 0.00 C ATOM 1462 O GLU A 99 -5.950 13.078 12.599 1.00 0.00 O ATOM 1463 CB GLU A 99 -7.460 10.014 12.302 1.00 0.00 C ATOM 1464 CG GLU A 99 -6.799 9.975 13.670 1.00 0.00 C ATOM 1465 CD GLU A 99 -7.348 8.870 14.551 1.00 0.00 C ATOM 1466 OE1 GLU A 99 -8.586 8.775 14.684 1.00 0.00 O ATOM 1467 OE2 GLU A 99 -6.539 8.099 15.108 1.00 0.00 O ATOM 0 H GLU A 99 -7.663 10.233 9.815 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.068 12.004 11.760 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.531 9.849 12.420 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -7.076 9.191 11.699 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.725 9.837 13.547 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.942 10.935 14.166 1.00 0.00 H new ATOM 1474 N PRO A 100 -4.814 11.310 11.788 1.00 0.00 N ATOM 1475 CA PRO A 100 -3.494 11.808 12.185 1.00 0.00 C ATOM 1476 C PRO A 100 -3.060 13.017 11.361 1.00 0.00 C ATOM 1477 O PRO A 100 -2.661 14.044 11.912 1.00 0.00 O ATOM 1478 CB PRO A 100 -2.570 10.619 11.915 1.00 0.00 C ATOM 1479 CG PRO A 100 -3.263 9.831 10.858 1.00 0.00 C ATOM 1480 CD PRO A 100 -4.735 10.004 11.112 1.00 0.00 C ATOM 0 HA PRO A 100 -3.481 12.149 13.220 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.587 10.950 11.581 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.417 10.024 12.816 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.994 10.189 9.864 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.979 8.780 10.906 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -5.306 9.997 10.184 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -5.132 9.204 11.737 1.00 0.00 H new ATOM 1488 N ARG A 101 -3.142 12.888 10.041 1.00 0.00 N ATOM 1489 CA ARG A 101 -2.757 13.969 9.143 1.00 0.00 C ATOM 1490 C ARG A 101 -3.980 14.758 8.686 1.00 0.00 C ATOM 1491 O ARG A 101 -4.848 14.229 7.990 1.00 0.00 O ATOM 1492 CB ARG A 101 -2.013 13.411 7.928 1.00 0.00 C ATOM 1493 CG ARG A 101 -0.816 12.547 8.290 1.00 0.00 C ATOM 1494 CD ARG A 101 0.122 13.266 9.246 1.00 0.00 C ATOM 1495 NE ARG A 101 1.215 12.407 9.691 1.00 0.00 N ATOM 1496 CZ ARG A 101 2.221 12.830 10.448 1.00 0.00 C ATOM 1497 NH1 ARG A 101 2.271 14.094 10.844 1.00 0.00 N ATOM 1498 NH2 ARG A 101 3.179 11.987 10.813 1.00 0.00 N ATOM 0 H ARG A 101 -3.472 12.045 9.570 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.095 14.642 9.688 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.706 12.823 7.327 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.677 14.241 7.306 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -1.161 11.619 8.746 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.275 12.275 7.384 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.532 14.149 8.756 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.441 13.614 10.112 1.00 0.00 H new ATOM 0 HE ARG A 101 1.206 11.428 9.405 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.536 14.745 10.567 1.00 0.00 H new ATOM 0 HH12 ARG A 101 3.045 14.416 11.425 1.00 0.00 H new ATOM 0 HH21 ARG A 101 3.143 11.013 10.512 1.00 0.00 H new ATOM 0 HH22 ARG A 101 3.951 12.313 11.394 1.00 0.00 H new ATOM 1512 N ARG A 102 -4.043 16.025 9.082 1.00 0.00 N ATOM 1513 CA ARG A 102 -5.160 16.886 8.714 1.00 0.00 C ATOM 1514 C ARG A 102 -4.948 17.491 7.330 1.00 0.00 C ATOM 1515 O ARG A 102 -5.529 18.525 7.000 1.00 0.00 O ATOM 1516 CB ARG A 102 -5.334 18.000 9.749 1.00 0.00 C ATOM 1517 CG ARG A 102 -4.105 18.878 9.912 1.00 0.00 C ATOM 1518 CD ARG A 102 -4.130 20.055 8.950 1.00 0.00 C ATOM 1519 NE ARG A 102 -3.229 21.125 9.370 1.00 0.00 N ATOM 1520 CZ ARG A 102 -3.253 22.351 8.859 1.00 0.00 C ATOM 1521 NH1 ARG A 102 -4.128 22.659 7.912 1.00 0.00 N ATOM 1522 NH2 ARG A 102 -2.401 23.270 9.293 1.00 0.00 N ATOM 0 H ARG A 102 -3.333 16.478 9.658 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.064 16.277 8.690 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -6.180 18.624 9.460 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.582 17.554 10.712 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.052 19.245 10.937 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.207 18.285 9.739 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.849 19.715 7.953 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.146 20.444 8.879 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.543 20.919 10.096 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.784 21.954 7.575 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.145 23.601 7.520 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -1.725 23.036 10.021 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -2.421 24.211 8.899 1.00 0.00 H new ATOM 1536 N GLU A 103 -4.112 16.841 6.527 1.00 0.00 N ATOM 1537 CA GLU A 103 -3.822 17.317 5.180 1.00 0.00 C ATOM 1538 C GLU A 103 -4.824 16.752 4.176 1.00 0.00 C ATOM 1539 O GLU A 103 -5.236 15.596 4.278 1.00 0.00 O ATOM 1540 CB GLU A 103 -2.400 16.928 4.772 1.00 0.00 C ATOM 1541 CG GLU A 103 -1.755 17.906 3.804 1.00 0.00 C ATOM 1542 CD GLU A 103 -2.312 17.790 2.399 1.00 0.00 C ATOM 1543 OE1 GLU A 103 -2.107 16.735 1.763 1.00 0.00 O ATOM 1544 OE2 GLU A 103 -2.956 18.755 1.935 1.00 0.00 O ATOM 0 H GLU A 103 -3.624 15.984 6.786 1.00 0.00 H new ATOM 0 HA GLU A 103 -3.907 18.404 5.180 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.782 16.854 5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.420 15.938 4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.905 18.923 4.167 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.679 17.731 3.780 1.00 0.00 H new ATOM 1551 N LEU A 104 -5.211 17.574 3.208 1.00 0.00 N ATOM 1552 CA LEU A 104 -6.164 17.159 2.185 1.00 0.00 C ATOM 1553 C LEU A 104 -5.460 16.898 0.859 1.00 0.00 C ATOM 1554 O LEU A 104 -4.255 17.120 0.728 1.00 0.00 O ATOM 1555 CB LEU A 104 -7.244 18.227 2.002 1.00 0.00 C ATOM 1556 CG LEU A 104 -8.393 18.200 3.010 1.00 0.00 C ATOM 1557 CD1 LEU A 104 -9.459 19.217 2.631 1.00 0.00 C ATOM 1558 CD2 LEU A 104 -8.993 16.804 3.098 1.00 0.00 C ATOM 0 H LEU A 104 -4.879 18.533 3.110 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.632 16.231 2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.769 19.207 2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.663 18.124 1.001 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.997 18.466 3.990 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.269 19.184 3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.022 20.215 2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -9.851 18.982 1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.809 16.804 3.820 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.374 16.509 2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.226 16.098 3.417 1.00 0.00 H new ATOM 1570 N LEU A 105 -6.218 16.426 -0.125 1.00 0.00 N ATOM 1571 CA LEU A 105 -5.667 16.137 -1.445 1.00 0.00 C ATOM 1572 C LEU A 105 -6.106 17.187 -2.460 1.00 0.00 C ATOM 1573 O LEU A 105 -6.900 18.075 -2.148 1.00 0.00 O ATOM 1574 CB LEU A 105 -6.107 14.747 -1.909 1.00 0.00 C ATOM 1575 CG LEU A 105 -6.033 13.635 -0.862 1.00 0.00 C ATOM 1576 CD1 LEU A 105 -6.416 12.298 -1.476 1.00 0.00 C ATOM 1577 CD2 LEU A 105 -4.639 13.566 -0.254 1.00 0.00 C ATOM 0 H LEU A 105 -7.216 16.235 -0.034 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.580 16.162 -1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.134 14.814 -2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.491 14.458 -2.761 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.743 13.863 -0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.358 11.519 -0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.434 12.353 -1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.731 12.062 -2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.605 12.769 0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.910 13.362 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.403 14.517 0.223 1.00 0.00 H new ATOM 1589 N THR A 106 -5.586 17.078 -3.679 1.00 0.00 N ATOM 1590 CA THR A 106 -5.924 18.017 -4.741 1.00 0.00 C ATOM 1591 C THR A 106 -6.215 17.288 -6.047 1.00 0.00 C ATOM 1592 O THR A 106 -7.325 17.360 -6.575 1.00 0.00 O ATOM 1593 CB THR A 106 -4.791 19.033 -4.975 1.00 0.00 C ATOM 1594 OG1 THR A 106 -3.740 18.428 -5.737 1.00 0.00 O ATOM 1595 CG2 THR A 106 -4.237 19.540 -3.653 1.00 0.00 C ATOM 0 H THR A 106 -4.929 16.348 -3.955 1.00 0.00 H new ATOM 0 HA THR A 106 -6.818 18.550 -4.418 1.00 0.00 H new ATOM 0 HB THR A 106 -5.200 19.879 -5.528 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.024 19.081 -5.883 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.438 20.256 -3.844 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.032 20.026 -3.088 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.843 18.702 -3.078 1.00 0.00 H new ATOM 1603 N GLN A 107 -5.213 16.585 -6.564 1.00 0.00 N ATOM 1604 CA GLN A 107 -5.363 15.842 -7.810 1.00 0.00 C ATOM 1605 C GLN A 107 -4.535 14.561 -7.783 1.00 0.00 C ATOM 1606 O GLN A 107 -3.525 14.460 -7.086 1.00 0.00 O ATOM 1607 CB GLN A 107 -4.944 16.709 -8.998 1.00 0.00 C ATOM 1608 CG GLN A 107 -3.537 17.272 -8.876 1.00 0.00 C ATOM 1609 CD GLN A 107 -3.254 18.360 -9.892 1.00 0.00 C ATOM 1610 OE1 GLN A 107 -3.320 18.131 -11.100 1.00 0.00 O ATOM 1611 NE2 GLN A 107 -2.937 19.555 -9.407 1.00 0.00 N ATOM 0 H GLN A 107 -4.288 16.514 -6.140 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.413 15.572 -7.919 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -5.011 16.117 -9.911 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.649 17.534 -9.101 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -3.396 17.672 -7.872 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -2.815 16.465 -9.002 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.894 19.701 -8.398 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.737 20.327 -10.043 1.00 0.00 H new ATOM 1620 N PRO A 108 -4.971 13.558 -8.560 1.00 0.00 N ATOM 1621 CA PRO A 108 -4.284 12.266 -8.642 1.00 0.00 C ATOM 1622 C PRO A 108 -2.942 12.367 -9.358 1.00 0.00 C ATOM 1623 O PRO A 108 -2.798 13.116 -10.325 1.00 0.00 O ATOM 1624 CB PRO A 108 -5.255 11.399 -9.448 1.00 0.00 C ATOM 1625 CG PRO A 108 -6.045 12.369 -10.258 1.00 0.00 C ATOM 1626 CD PRO A 108 -6.167 13.609 -9.417 1.00 0.00 C ATOM 0 HA PRO A 108 -4.050 11.866 -7.655 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.721 10.694 -10.085 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -5.899 10.813 -8.793 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.546 12.586 -11.203 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -7.027 11.965 -10.502 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -6.184 14.510 -10.030 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -7.084 13.607 -8.828 1.00 0.00 H new ATOM 1634 N CYS A 109 -1.961 11.610 -8.877 1.00 0.00 N ATOM 1635 CA CYS A 109 -0.629 11.616 -9.471 1.00 0.00 C ATOM 1636 C CYS A 109 -0.606 10.802 -10.761 1.00 0.00 C ATOM 1637 O CYS A 109 -1.539 10.053 -11.051 1.00 0.00 O ATOM 1638 CB CYS A 109 0.395 11.056 -8.483 1.00 0.00 C ATOM 1639 SG CYS A 109 2.114 11.381 -8.939 1.00 0.00 S ATOM 0 H CYS A 109 -2.063 10.985 -8.078 1.00 0.00 H new ATOM 0 HA CYS A 109 -0.368 12.647 -9.708 1.00 0.00 H new ATOM 0 HB2 CYS A 109 0.205 11.482 -7.498 1.00 0.00 H new ATOM 0 HB3 CYS A 109 0.250 9.979 -8.397 1.00 0.00 H new ATOM 0 HG CYS A 109 2.893 11.063 -7.948 1.00 0.00 H new ATOM 1645 N ARG A 110 0.465 10.956 -11.533 1.00 0.00 N ATOM 1646 CA ARG A 110 0.608 10.238 -12.793 1.00 0.00 C ATOM 1647 C ARG A 110 1.872 9.384 -12.791 1.00 0.00 C ATOM 1648 O ARG A 110 2.952 9.858 -12.439 1.00 0.00 O ATOM 1649 CB ARG A 110 0.647 11.223 -13.964 1.00 0.00 C ATOM 1650 CG ARG A 110 -0.219 12.454 -13.752 1.00 0.00 C ATOM 1651 CD ARG A 110 -1.693 12.141 -13.949 1.00 0.00 C ATOM 1652 NE ARG A 110 -2.438 13.296 -14.443 1.00 0.00 N ATOM 1653 CZ ARG A 110 -2.724 14.358 -13.698 1.00 0.00 C ATOM 1654 NH1 ARG A 110 -2.330 14.411 -12.433 1.00 0.00 N ATOM 1655 NH2 ARG A 110 -3.407 15.370 -14.219 1.00 0.00 N ATOM 0 H ARG A 110 1.246 11.572 -11.307 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.254 9.581 -12.908 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.677 11.538 -14.129 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.321 10.711 -14.870 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.060 12.843 -12.746 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.084 13.237 -14.448 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.797 11.315 -14.653 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.123 11.810 -13.003 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.756 13.287 -15.412 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -1.806 13.635 -12.029 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -2.551 15.228 -11.864 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.712 15.332 -15.192 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -3.627 16.185 -13.647 1.00 0.00 H new ATOM 1669 N GLN A 111 1.728 8.124 -13.188 1.00 0.00 N ATOM 1670 CA GLN A 111 2.859 7.204 -13.231 1.00 0.00 C ATOM 1671 C GLN A 111 3.930 7.700 -14.197 1.00 0.00 C ATOM 1672 O GLN A 111 3.620 8.263 -15.247 1.00 0.00 O ATOM 1673 CB GLN A 111 2.392 5.807 -13.644 1.00 0.00 C ATOM 1674 CG GLN A 111 2.027 5.697 -15.115 1.00 0.00 C ATOM 1675 CD GLN A 111 1.118 4.520 -15.406 1.00 0.00 C ATOM 1676 OE1 GLN A 111 -0.176 4.697 -15.162 1.00 0.00 O flip ATOM 1677 NE2 GLN A 111 1.572 3.464 -15.844 1.00 0.00 N flip ATOM 0 H GLN A 111 0.841 7.717 -13.484 1.00 0.00 H new ATOM 0 HA GLN A 111 3.292 7.155 -12.232 1.00 0.00 H new ATOM 0 HB2 GLN A 111 3.180 5.088 -13.419 1.00 0.00 H new ATOM 0 HB3 GLN A 111 1.527 5.530 -13.042 1.00 0.00 H new ATOM 0 HG2 GLN A 111 1.536 6.617 -15.433 1.00 0.00 H new ATOM 0 HG3 GLN A 111 2.938 5.601 -15.705 1.00 0.00 H new ATOM 0 HE21 GLN A 111 2.573 3.372 -16.017 1.00 0.00 H new ATOM 0 HE22 GLN A 111 0.947 2.680 -16.034 1.00 0.00 H new ATOM 1686 N LYS A 112 5.190 7.490 -13.833 1.00 0.00 N ATOM 1687 CA LYS A 112 6.308 7.915 -14.668 1.00 0.00 C ATOM 1688 C LYS A 112 6.923 6.728 -15.401 1.00 0.00 C ATOM 1689 O LYS A 112 8.144 6.615 -15.503 1.00 0.00 O ATOM 1690 CB LYS A 112 7.372 8.608 -13.815 1.00 0.00 C ATOM 1691 CG LYS A 112 7.060 10.065 -13.515 1.00 0.00 C ATOM 1692 CD LYS A 112 8.327 10.887 -13.361 1.00 0.00 C ATOM 1693 CE LYS A 112 9.252 10.295 -12.309 1.00 0.00 C ATOM 1694 NZ LYS A 112 8.810 10.633 -10.928 1.00 0.00 N ATOM 0 H LYS A 112 5.463 7.028 -12.966 1.00 0.00 H new ATOM 0 HA LYS A 112 5.929 8.619 -15.409 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.480 8.068 -12.875 1.00 0.00 H new ATOM 0 HB3 LYS A 112 8.332 8.549 -14.328 1.00 0.00 H new ATOM 0 HG2 LYS A 112 6.451 10.480 -14.318 1.00 0.00 H new ATOM 0 HG3 LYS A 112 6.470 10.131 -12.601 1.00 0.00 H new ATOM 0 HD2 LYS A 112 8.847 10.938 -14.317 1.00 0.00 H new ATOM 0 HD3 LYS A 112 8.067 11.909 -13.085 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.287 9.212 -12.424 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.265 10.665 -12.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 9.585 11.106 -10.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 7.987 11.268 -10.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.548 9.762 -10.424 1.00 0.00 H new ATOM 1708 N ASP A 113 6.070 5.846 -15.910 1.00 0.00 N ATOM 1709 CA ASP A 113 6.529 4.667 -16.635 1.00 0.00 C ATOM 1710 C ASP A 113 5.778 4.516 -17.955 1.00 0.00 C ATOM 1711 O ASP A 113 5.370 3.415 -18.325 1.00 0.00 O ATOM 1712 CB ASP A 113 6.344 3.412 -15.782 1.00 0.00 C ATOM 1713 CG ASP A 113 4.898 2.960 -15.724 1.00 0.00 C ATOM 1714 OD1 ASP A 113 4.052 3.739 -15.238 1.00 0.00 O ATOM 1715 OD2 ASP A 113 4.613 1.827 -16.164 1.00 0.00 O ATOM 0 H ASP A 113 5.056 5.925 -15.834 1.00 0.00 H new ATOM 0 HA ASP A 113 7.589 4.794 -16.852 1.00 0.00 H new ATOM 0 HB2 ASP A 113 6.957 2.607 -16.187 1.00 0.00 H new ATOM 0 HB3 ASP A 113 6.702 3.607 -14.771 1.00 0.00 H new ATOM 1720 N SER A 114 5.600 5.628 -18.660 1.00 0.00 N ATOM 1721 CA SER A 114 4.894 5.620 -19.936 1.00 0.00 C ATOM 1722 C SER A 114 5.476 6.664 -20.886 1.00 0.00 C ATOM 1723 O SER A 114 5.290 7.865 -20.695 1.00 0.00 O ATOM 1724 CB SER A 114 3.403 5.885 -19.721 1.00 0.00 C ATOM 1725 OG SER A 114 3.193 7.150 -19.115 1.00 0.00 O ATOM 0 H SER A 114 5.935 6.547 -18.369 1.00 0.00 H new ATOM 0 HA SER A 114 5.019 4.635 -20.385 1.00 0.00 H new ATOM 0 HB2 SER A 114 2.881 5.845 -20.677 1.00 0.00 H new ATOM 0 HB3 SER A 114 2.978 5.102 -19.093 1.00 0.00 H new ATOM 0 HG SER A 114 3.803 7.807 -19.510 1.00 0.00 H new ATOM 1731 N GLY A 115 6.183 6.195 -21.910 1.00 0.00 N ATOM 1732 CA GLY A 115 6.781 7.099 -22.873 1.00 0.00 C ATOM 1733 C GLY A 115 5.785 7.588 -23.906 1.00 0.00 C ATOM 1734 O GLY A 115 5.461 8.774 -23.975 1.00 0.00 O ATOM 0 H GLY A 115 6.352 5.205 -22.089 1.00 0.00 H new ATOM 0 HA2 GLY A 115 7.205 7.955 -22.348 1.00 0.00 H new ATOM 0 HA3 GLY A 115 7.605 6.594 -23.378 1.00 0.00 H new ATOM 1738 N PRO A 116 5.282 6.661 -24.735 1.00 0.00 N ATOM 1739 CA PRO A 116 4.311 6.980 -25.786 1.00 0.00 C ATOM 1740 C PRO A 116 2.946 7.354 -25.217 1.00 0.00 C ATOM 1741 O PRO A 116 2.212 6.497 -24.725 1.00 0.00 O ATOM 1742 CB PRO A 116 4.219 5.682 -26.590 1.00 0.00 C ATOM 1743 CG PRO A 116 4.606 4.612 -25.628 1.00 0.00 C ATOM 1744 CD PRO A 116 5.624 5.229 -24.710 1.00 0.00 C ATOM 0 HA PRO A 116 4.618 7.842 -26.378 1.00 0.00 H new ATOM 0 HB2 PRO A 116 3.211 5.524 -26.973 1.00 0.00 H new ATOM 0 HB3 PRO A 116 4.888 5.701 -27.451 1.00 0.00 H new ATOM 0 HG2 PRO A 116 3.740 4.258 -25.069 1.00 0.00 H new ATOM 0 HG3 PRO A 116 5.022 3.750 -26.150 1.00 0.00 H new ATOM 0 HD2 PRO A 116 5.558 4.818 -23.703 1.00 0.00 H new ATOM 0 HD3 PRO A 116 6.641 5.052 -25.061 1.00 0.00 H new ATOM 1752 N SER A 117 2.611 8.639 -25.291 1.00 0.00 N ATOM 1753 CA SER A 117 1.335 9.125 -24.781 1.00 0.00 C ATOM 1754 C SER A 117 0.480 9.693 -25.910 1.00 0.00 C ATOM 1755 O SER A 117 0.924 10.560 -26.664 1.00 0.00 O ATOM 1756 CB SER A 117 1.564 10.195 -23.712 1.00 0.00 C ATOM 1757 OG SER A 117 2.195 11.338 -24.261 1.00 0.00 O ATOM 0 H SER A 117 3.205 9.361 -25.699 1.00 0.00 H new ATOM 0 HA SER A 117 0.805 8.283 -24.335 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.610 10.480 -23.269 1.00 0.00 H new ATOM 0 HB3 SER A 117 2.179 9.786 -22.910 1.00 0.00 H new ATOM 0 HG SER A 117 1.963 11.415 -25.210 1.00 0.00 H new ATOM 1763 N SER A 118 -0.748 9.199 -26.020 1.00 0.00 N ATOM 1764 CA SER A 118 -1.665 9.653 -27.059 1.00 0.00 C ATOM 1765 C SER A 118 -0.938 9.821 -28.389 1.00 0.00 C ATOM 1766 O SER A 118 -1.163 10.788 -29.115 1.00 0.00 O ATOM 1767 CB SER A 118 -2.317 10.975 -26.650 1.00 0.00 C ATOM 1768 OG SER A 118 -3.015 10.842 -25.424 1.00 0.00 O ATOM 0 H SER A 118 -1.132 8.484 -25.402 1.00 0.00 H new ATOM 0 HA SER A 118 -2.440 8.897 -27.182 1.00 0.00 H new ATOM 0 HB2 SER A 118 -1.553 11.747 -26.555 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.005 11.301 -27.430 1.00 0.00 H new ATOM 0 HG SER A 118 -3.421 11.701 -25.184 1.00 0.00 H new ATOM 1774 N GLY A 119 -0.064 8.870 -28.704 1.00 0.00 N ATOM 1775 CA GLY A 119 0.683 8.929 -29.946 1.00 0.00 C ATOM 1776 C GLY A 119 1.220 7.575 -30.366 1.00 0.00 C ATOM 1777 O GLY A 119 2.432 7.368 -30.409 1.00 0.00 O ATOM 0 H GLY A 119 0.140 8.059 -28.120 1.00 0.00 H new ATOM 0 HA2 GLY A 119 0.041 9.322 -30.734 1.00 0.00 H new ATOM 0 HA3 GLY A 119 1.513 9.627 -29.834 1.00 0.00 H new TER 1781 GLY A 119