USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 949 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc=-0.00829 K(o=-0.0083,f=-1.6!) USER MOD Single : A 16 SER OG : rot -170:sc= -2.96! USER MOD Single : A 19 LYS NZ :NH3+ -109:sc= -1.07 (180deg=-3.51!) USER MOD Single : A 20 SER OG : rot 180:sc= -0.383 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 24:sc= 0.43 USER MOD Single : A 52 SER OG : rot 180:sc=-0.000525 USER MOD Single : A 53 SER OG : rot 37:sc= 0.337 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.296 K(o=-0.3,f=-2.4) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.277 F(o=-1.1,f=-0.28) USER MOD Single : A 81 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0418) USER MOD Single : A 84 SER OG : rot 180:sc= -0.301 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl 137:sc= -4.71! (180deg=-10.3!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot -40:sc= 0.19 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.899 K(o=-0.9,f=-4.7!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.761) USER MOD Single : A 105 GLN : amide:sc= -0.0607 K(o=-0.061,f=-1.2) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -1.82 K(o=-1.8,f=-2.7!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 26:sc= 0.18 USER MOD Single : A 114 TYR OH : rot 30:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 166:sc= -0.0412 (180deg=-0.298) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.885 11.576 9.571 1.00 0.00 N ATOM 2 CA GLY A 1 25.215 11.640 10.148 1.00 0.00 C ATOM 3 C GLY A 1 25.823 13.025 10.052 1.00 0.00 C ATOM 4 O GLY A 1 25.590 13.874 10.913 1.00 0.00 O ATOM 0 H1 GLY A 1 23.513 10.609 9.662 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.257 12.237 10.072 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.930 11.837 8.565 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.168 11.339 11.195 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.863 10.926 9.639 1.00 0.00 H new ATOM 8 N SER A 2 26.606 13.255 9.003 1.00 0.00 N ATOM 9 CA SER A 2 27.253 14.546 8.801 1.00 0.00 C ATOM 10 C SER A 2 26.346 15.492 8.021 1.00 0.00 C ATOM 11 O SER A 2 25.960 15.206 6.887 1.00 0.00 O ATOM 12 CB SER A 2 28.579 14.364 8.059 1.00 0.00 C ATOM 13 OG SER A 2 29.224 15.609 7.855 1.00 0.00 O ATOM 0 H SER A 2 26.808 12.564 8.280 1.00 0.00 H new ATOM 0 HA SER A 2 27.449 14.984 9.780 1.00 0.00 H new ATOM 0 HB2 SER A 2 29.231 13.702 8.630 1.00 0.00 H new ATOM 0 HB3 SER A 2 28.398 13.883 7.098 1.00 0.00 H new ATOM 0 HG SER A 2 30.069 15.466 7.381 1.00 0.00 H new ATOM 19 N SER A 3 26.010 16.621 8.636 1.00 0.00 N ATOM 20 CA SER A 3 25.146 17.610 8.002 1.00 0.00 C ATOM 21 C SER A 3 25.580 19.026 8.368 1.00 0.00 C ATOM 22 O SER A 3 26.175 19.252 9.421 1.00 0.00 O ATOM 23 CB SER A 3 23.690 17.387 8.418 1.00 0.00 C ATOM 24 OG SER A 3 23.534 17.523 9.820 1.00 0.00 O ATOM 0 H SER A 3 26.323 16.874 9.573 1.00 0.00 H new ATOM 0 HA SER A 3 25.231 17.491 6.922 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.048 18.104 7.906 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.368 16.393 8.108 1.00 0.00 H new ATOM 0 HG SER A 3 22.595 17.378 10.060 1.00 0.00 H new ATOM 30 N GLY A 4 25.277 19.977 7.490 1.00 0.00 N ATOM 31 CA GLY A 4 25.642 21.359 7.737 1.00 0.00 C ATOM 32 C GLY A 4 24.614 22.336 7.203 1.00 0.00 C ATOM 33 O GLY A 4 24.549 22.581 5.998 1.00 0.00 O ATOM 0 H GLY A 4 24.785 19.815 6.611 1.00 0.00 H new ATOM 0 HA2 GLY A 4 25.762 21.513 8.809 1.00 0.00 H new ATOM 0 HA3 GLY A 4 26.608 21.564 7.275 1.00 0.00 H new ATOM 37 N SER A 5 23.807 22.893 8.100 1.00 0.00 N ATOM 38 CA SER A 5 22.772 23.844 7.711 1.00 0.00 C ATOM 39 C SER A 5 23.358 24.966 6.859 1.00 0.00 C ATOM 40 O SER A 5 24.424 25.500 7.164 1.00 0.00 O ATOM 41 CB SER A 5 22.096 24.431 8.951 1.00 0.00 C ATOM 42 OG SER A 5 21.014 25.273 8.593 1.00 0.00 O ATOM 0 H SER A 5 23.850 22.702 9.101 1.00 0.00 H new ATOM 0 HA SER A 5 22.028 23.311 7.119 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.737 23.624 9.589 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.824 24.997 9.532 1.00 0.00 H new ATOM 0 HG SER A 5 20.598 25.634 9.404 1.00 0.00 H new ATOM 48 N SER A 6 22.653 25.318 5.788 1.00 0.00 N ATOM 49 CA SER A 6 23.104 26.373 4.889 1.00 0.00 C ATOM 50 C SER A 6 22.346 27.671 5.151 1.00 0.00 C ATOM 51 O SER A 6 22.939 28.748 5.212 1.00 0.00 O ATOM 52 CB SER A 6 22.917 25.946 3.432 1.00 0.00 C ATOM 53 OG SER A 6 21.567 25.602 3.171 1.00 0.00 O ATOM 0 H SER A 6 21.767 24.888 5.522 1.00 0.00 H new ATOM 0 HA SER A 6 24.164 26.547 5.076 1.00 0.00 H new ATOM 0 HB2 SER A 6 23.224 26.756 2.770 1.00 0.00 H new ATOM 0 HB3 SER A 6 23.561 25.094 3.214 1.00 0.00 H new ATOM 0 HG SER A 6 21.473 25.334 2.233 1.00 0.00 H new ATOM 59 N GLY A 7 21.030 27.560 5.306 1.00 0.00 N ATOM 60 CA GLY A 7 20.212 28.731 5.560 1.00 0.00 C ATOM 61 C GLY A 7 19.069 28.864 4.573 1.00 0.00 C ATOM 62 O GLY A 7 19.250 29.377 3.469 1.00 0.00 O ATOM 0 H GLY A 7 20.516 26.680 5.260 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.810 28.677 6.572 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.836 29.624 5.512 1.00 0.00 H new ATOM 66 N GLU A 8 17.888 28.401 4.971 1.00 0.00 N ATOM 67 CA GLU A 8 16.712 28.469 4.112 1.00 0.00 C ATOM 68 C GLU A 8 15.708 29.487 4.644 1.00 0.00 C ATOM 69 O GLU A 8 15.547 29.645 5.854 1.00 0.00 O ATOM 70 CB GLU A 8 16.051 27.093 4.004 1.00 0.00 C ATOM 71 CG GLU A 8 14.745 27.104 3.229 1.00 0.00 C ATOM 72 CD GLU A 8 13.993 25.792 3.334 1.00 0.00 C ATOM 73 OE1 GLU A 8 14.583 24.741 3.007 1.00 0.00 O ATOM 74 OE2 GLU A 8 12.813 25.816 3.743 1.00 0.00 O ATOM 0 H GLU A 8 17.721 27.975 5.883 1.00 0.00 H new ATOM 0 HA GLU A 8 17.036 28.787 3.121 1.00 0.00 H new ATOM 0 HB2 GLU A 8 16.744 26.403 3.522 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.865 26.709 5.007 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.113 27.911 3.600 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.951 27.317 2.180 1.00 0.00 H new ATOM 81 N THR A 9 15.035 30.179 3.729 1.00 0.00 N ATOM 82 CA THR A 9 14.048 31.183 4.104 1.00 0.00 C ATOM 83 C THR A 9 12.699 30.899 3.454 1.00 0.00 C ATOM 84 O THR A 9 12.633 30.370 2.345 1.00 0.00 O ATOM 85 CB THR A 9 14.508 32.599 3.707 1.00 0.00 C ATOM 86 OG1 THR A 9 13.580 33.572 4.199 1.00 0.00 O ATOM 87 CG2 THR A 9 14.630 32.724 2.196 1.00 0.00 C ATOM 0 H THR A 9 15.156 30.062 2.723 1.00 0.00 H new ATOM 0 HA THR A 9 13.943 31.133 5.188 1.00 0.00 H new ATOM 0 HB THR A 9 15.488 32.777 4.150 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.881 34.469 3.944 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.956 33.732 1.939 1.00 0.00 H new ATOM 0 HG22 THR A 9 15.360 32.002 1.829 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.662 32.528 1.735 1.00 0.00 H new ATOM 95 N GLY A 10 11.624 31.254 4.151 1.00 0.00 N ATOM 96 CA GLY A 10 10.290 31.030 3.624 1.00 0.00 C ATOM 97 C GLY A 10 9.803 29.614 3.863 1.00 0.00 C ATOM 98 O GLY A 10 10.256 28.942 4.789 1.00 0.00 O ATOM 0 H GLY A 10 11.653 31.693 5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.597 31.732 4.087 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.286 31.237 2.554 1.00 0.00 H new ATOM 102 N GLY A 11 8.875 29.160 3.027 1.00 0.00 N ATOM 103 CA GLY A 11 8.341 27.818 3.170 1.00 0.00 C ATOM 104 C GLY A 11 7.991 27.188 1.836 1.00 0.00 C ATOM 105 O GLY A 11 7.043 27.608 1.174 1.00 0.00 O ATOM 0 H GLY A 11 8.483 29.697 2.253 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.071 27.192 3.683 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.451 27.850 3.798 1.00 0.00 H new ATOM 109 N GLU A 12 8.760 26.178 1.441 1.00 0.00 N ATOM 110 CA GLU A 12 8.528 25.491 0.176 1.00 0.00 C ATOM 111 C GLU A 12 7.235 24.683 0.225 1.00 0.00 C ATOM 112 O GLU A 12 6.632 24.521 1.286 1.00 0.00 O ATOM 113 CB GLU A 12 9.705 24.571 -0.155 1.00 0.00 C ATOM 114 CG GLU A 12 10.817 25.260 -0.928 1.00 0.00 C ATOM 115 CD GLU A 12 10.578 25.252 -2.425 1.00 0.00 C ATOM 116 OE1 GLU A 12 9.635 25.935 -2.879 1.00 0.00 O ATOM 117 OE2 GLU A 12 11.332 24.563 -3.144 1.00 0.00 O ATOM 0 H GLU A 12 9.548 25.818 1.978 1.00 0.00 H new ATOM 0 HA GLU A 12 8.436 26.245 -0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.113 24.169 0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.341 23.724 -0.736 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.909 26.290 -0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.764 24.766 -0.712 1.00 0.00 H new ATOM 124 N ARG A 13 6.815 24.178 -0.930 1.00 0.00 N ATOM 125 CA ARG A 13 5.593 23.387 -1.019 1.00 0.00 C ATOM 126 C ARG A 13 5.520 22.368 0.114 1.00 0.00 C ATOM 127 O ARG A 13 6.547 21.904 0.610 1.00 0.00 O ATOM 128 CB ARG A 13 5.521 22.671 -2.369 1.00 0.00 C ATOM 129 CG ARG A 13 6.583 21.598 -2.547 1.00 0.00 C ATOM 130 CD ARG A 13 6.563 21.022 -3.954 1.00 0.00 C ATOM 131 NE ARG A 13 7.334 21.835 -4.889 1.00 0.00 N ATOM 132 CZ ARG A 13 6.823 22.852 -5.574 1.00 0.00 C ATOM 133 NH1 ARG A 13 5.546 23.179 -5.428 1.00 0.00 N ATOM 134 NH2 ARG A 13 7.589 23.545 -6.407 1.00 0.00 N ATOM 0 H ARG A 13 7.303 24.302 -1.817 1.00 0.00 H new ATOM 0 HA ARG A 13 4.744 24.065 -0.929 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.536 22.217 -2.478 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.623 23.407 -3.167 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.566 22.020 -2.339 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.420 20.799 -1.823 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.966 20.009 -3.937 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.532 20.949 -4.301 1.00 0.00 H new ATOM 0 HE ARG A 13 8.320 21.610 -5.024 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.954 22.649 -4.789 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.156 23.960 -5.955 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.572 23.297 -6.522 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.195 24.326 -6.932 1.00 0.00 H new ATOM 148 N GLN A 14 4.301 22.026 0.518 1.00 0.00 N ATOM 149 CA GLN A 14 4.096 21.063 1.594 1.00 0.00 C ATOM 150 C GLN A 14 3.323 19.847 1.095 1.00 0.00 C ATOM 151 O GLN A 14 2.106 19.903 0.911 1.00 0.00 O ATOM 152 CB GLN A 14 3.346 21.717 2.756 1.00 0.00 C ATOM 153 CG GLN A 14 3.939 23.047 3.191 1.00 0.00 C ATOM 154 CD GLN A 14 3.395 23.520 4.524 1.00 0.00 C ATOM 155 OE1 GLN A 14 2.810 22.744 5.280 1.00 0.00 O ATOM 156 NE2 GLN A 14 3.587 24.800 4.821 1.00 0.00 N ATOM 0 H GLN A 14 3.441 22.401 0.117 1.00 0.00 H new ATOM 0 HA GLN A 14 5.074 20.732 1.943 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.306 21.870 2.466 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.343 21.034 3.606 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.023 22.953 3.258 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.731 23.799 2.430 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.077 25.408 4.165 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.244 25.175 5.705 1.00 0.00 H new ATOM 165 N LEU A 15 4.037 18.748 0.877 1.00 0.00 N ATOM 166 CA LEU A 15 3.418 17.516 0.398 1.00 0.00 C ATOM 167 C LEU A 15 2.452 16.953 1.436 1.00 0.00 C ATOM 168 O LEU A 15 2.818 16.751 2.593 1.00 0.00 O ATOM 169 CB LEU A 15 4.492 16.478 0.068 1.00 0.00 C ATOM 170 CG LEU A 15 4.099 15.015 0.281 1.00 0.00 C ATOM 171 CD1 LEU A 15 2.915 14.647 -0.598 1.00 0.00 C ATOM 172 CD2 LEU A 15 5.281 14.099 -0.001 1.00 0.00 C ATOM 0 H LEU A 15 5.044 18.684 1.024 1.00 0.00 H new ATOM 0 HA LEU A 15 2.856 17.748 -0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.785 16.607 -0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.372 16.689 0.675 1.00 0.00 H new ATOM 0 HG LEU A 15 3.805 14.885 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.650 13.603 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.065 15.281 -0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.180 14.793 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.983 13.062 0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.606 14.231 -1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.102 14.346 0.672 1.00 0.00 H new ATOM 184 N SER A 16 1.218 16.700 1.012 1.00 0.00 N ATOM 185 CA SER A 16 0.199 16.162 1.905 1.00 0.00 C ATOM 186 C SER A 16 -0.276 14.793 1.425 1.00 0.00 C ATOM 187 O SER A 16 -0.613 14.599 0.257 1.00 0.00 O ATOM 188 CB SER A 16 -0.989 17.123 1.996 1.00 0.00 C ATOM 189 OG SER A 16 -0.792 18.080 3.022 1.00 0.00 O ATOM 0 H SER A 16 0.900 16.859 0.056 1.00 0.00 H new ATOM 0 HA SER A 16 0.642 16.048 2.894 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.124 17.631 1.041 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.902 16.560 2.189 1.00 0.00 H new ATOM 0 HG SER A 16 -1.623 18.579 3.167 1.00 0.00 H new ATOM 195 N PRO A 17 -0.302 13.821 2.348 1.00 0.00 N ATOM 196 CA PRO A 17 -0.733 12.453 2.045 1.00 0.00 C ATOM 197 C PRO A 17 -2.230 12.365 1.767 1.00 0.00 C ATOM 198 O PRO A 17 -2.651 11.796 0.761 1.00 0.00 O ATOM 199 CB PRO A 17 -0.379 11.679 3.317 1.00 0.00 C ATOM 200 CG PRO A 17 -0.384 12.703 4.398 1.00 0.00 C ATOM 201 CD PRO A 17 0.086 13.981 3.760 1.00 0.00 C ATOM 0 HA PRO A 17 -0.254 12.065 1.146 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.105 10.891 3.515 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.596 11.200 3.230 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.382 12.821 4.819 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.274 12.410 5.216 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.388 14.853 4.211 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.163 14.112 3.868 1.00 0.00 H new ATOM 209 N GLU A 18 -3.028 12.933 2.666 1.00 0.00 N ATOM 210 CA GLU A 18 -4.479 12.917 2.517 1.00 0.00 C ATOM 211 C GLU A 18 -4.889 13.415 1.134 1.00 0.00 C ATOM 212 O GLU A 18 -5.952 13.061 0.623 1.00 0.00 O ATOM 213 CB GLU A 18 -5.134 13.781 3.597 1.00 0.00 C ATOM 214 CG GLU A 18 -4.463 15.130 3.788 1.00 0.00 C ATOM 215 CD GLU A 18 -3.325 15.079 4.789 1.00 0.00 C ATOM 216 OE1 GLU A 18 -3.417 14.287 5.750 1.00 0.00 O ATOM 217 OE2 GLU A 18 -2.344 15.831 4.613 1.00 0.00 O ATOM 0 H GLU A 18 -2.695 13.409 3.504 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.819 11.888 2.629 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.181 13.939 3.338 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.118 13.240 4.543 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.083 15.481 2.829 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.204 15.856 4.123 1.00 0.00 H new ATOM 224 N LYS A 19 -4.038 14.240 0.532 1.00 0.00 N ATOM 225 CA LYS A 19 -4.309 14.787 -0.792 1.00 0.00 C ATOM 226 C LYS A 19 -3.977 13.771 -1.879 1.00 0.00 C ATOM 227 O LYS A 19 -4.752 13.574 -2.815 1.00 0.00 O ATOM 228 CB LYS A 19 -3.500 16.068 -1.012 1.00 0.00 C ATOM 229 CG LYS A 19 -4.203 17.323 -0.524 1.00 0.00 C ATOM 230 CD LYS A 19 -5.050 17.949 -1.620 1.00 0.00 C ATOM 231 CE LYS A 19 -6.393 17.247 -1.755 1.00 0.00 C ATOM 232 NZ LYS A 19 -6.335 16.121 -2.727 1.00 0.00 N ATOM 0 H LYS A 19 -3.154 14.544 0.941 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.372 15.021 -0.851 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.542 15.975 -0.499 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.284 16.173 -2.075 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.834 17.079 0.330 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.463 18.045 -0.178 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.210 19.004 -1.400 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.515 17.899 -2.568 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.705 16.870 -0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.148 17.965 -2.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.864 16.376 -3.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.344 15.928 -2.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.757 15.272 -2.300 1.00 0.00 H new ATOM 246 N SER A 20 -2.822 13.126 -1.748 1.00 0.00 N ATOM 247 CA SER A 20 -2.387 12.131 -2.721 1.00 0.00 C ATOM 248 C SER A 20 -3.526 11.175 -3.067 1.00 0.00 C ATOM 249 O SER A 20 -4.375 10.877 -2.228 1.00 0.00 O ATOM 250 CB SER A 20 -1.193 11.344 -2.179 1.00 0.00 C ATOM 251 OG SER A 20 -0.137 12.213 -1.805 1.00 0.00 O ATOM 0 H SER A 20 -2.171 13.275 -0.977 1.00 0.00 H new ATOM 0 HA SER A 20 -2.086 12.654 -3.629 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.504 10.753 -1.318 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.841 10.644 -2.936 1.00 0.00 H new ATOM 0 HG SER A 20 0.614 11.686 -1.460 1.00 0.00 H new ATOM 257 N GLU A 21 -3.534 10.699 -4.308 1.00 0.00 N ATOM 258 CA GLU A 21 -4.568 9.778 -4.765 1.00 0.00 C ATOM 259 C GLU A 21 -3.985 8.393 -5.027 1.00 0.00 C ATOM 260 O GLU A 21 -2.956 8.256 -5.689 1.00 0.00 O ATOM 261 CB GLU A 21 -5.234 10.313 -6.035 1.00 0.00 C ATOM 262 CG GLU A 21 -4.279 11.053 -6.957 1.00 0.00 C ATOM 263 CD GLU A 21 -4.837 11.227 -8.356 1.00 0.00 C ATOM 264 OE1 GLU A 21 -5.795 10.506 -8.706 1.00 0.00 O ATOM 265 OE2 GLU A 21 -4.317 12.084 -9.100 1.00 0.00 O ATOM 0 H GLU A 21 -2.837 10.936 -5.014 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.318 9.694 -3.979 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.680 9.481 -6.580 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.047 10.983 -5.754 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.057 12.033 -6.534 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.336 10.508 -7.011 1.00 0.00 H new ATOM 272 N ILE A 22 -4.650 7.369 -4.504 1.00 0.00 N ATOM 273 CA ILE A 22 -4.199 5.994 -4.682 1.00 0.00 C ATOM 274 C ILE A 22 -5.159 5.211 -5.572 1.00 0.00 C ATOM 275 O ILE A 22 -6.250 4.835 -5.144 1.00 0.00 O ATOM 276 CB ILE A 22 -4.061 5.267 -3.331 1.00 0.00 C ATOM 277 CG1 ILE A 22 -3.061 5.999 -2.433 1.00 0.00 C ATOM 278 CG2 ILE A 22 -3.631 3.824 -3.547 1.00 0.00 C ATOM 279 CD1 ILE A 22 -2.668 5.214 -1.202 1.00 0.00 C ATOM 0 H ILE A 22 -5.503 7.465 -3.953 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.221 6.043 -5.161 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.032 5.265 -2.835 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.165 6.226 -3.011 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.492 6.952 -2.124 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.538 3.324 -2.583 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.377 3.309 -4.153 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.670 3.804 -4.061 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.957 5.793 -0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.555 5.009 -0.603 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.208 4.273 -1.502 1.00 0.00 H new ATOM 291 N TRP A 23 -4.743 4.968 -6.809 1.00 0.00 N ATOM 292 CA TRP A 23 -5.566 4.228 -7.760 1.00 0.00 C ATOM 293 C TRP A 23 -4.847 2.972 -8.239 1.00 0.00 C ATOM 294 O TRP A 23 -3.636 2.835 -8.068 1.00 0.00 O ATOM 295 CB TRP A 23 -5.923 5.114 -8.955 1.00 0.00 C ATOM 296 CG TRP A 23 -4.761 5.385 -9.861 1.00 0.00 C ATOM 297 CD1 TRP A 23 -4.229 4.536 -10.789 1.00 0.00 C ATOM 298 CD2 TRP A 23 -3.986 6.588 -9.924 1.00 0.00 C ATOM 299 NE1 TRP A 23 -3.170 5.138 -11.425 1.00 0.00 N ATOM 300 CE2 TRP A 23 -3.001 6.397 -10.913 1.00 0.00 C ATOM 301 CE3 TRP A 23 -4.029 7.807 -9.243 1.00 0.00 C ATOM 302 CZ2 TRP A 23 -2.070 7.381 -11.235 1.00 0.00 C ATOM 303 CZ3 TRP A 23 -3.104 8.782 -9.563 1.00 0.00 C ATOM 304 CH2 TRP A 23 -2.135 8.565 -10.552 1.00 0.00 C ATOM 0 H TRP A 23 -3.842 5.272 -7.178 1.00 0.00 H new ATOM 0 HA TRP A 23 -6.483 3.928 -7.253 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -6.718 4.636 -9.528 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -6.319 6.062 -8.590 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -4.588 3.538 -10.993 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -2.602 4.716 -12.159 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.772 7.984 -8.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.323 7.216 -11.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -3.128 9.728 -9.042 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.426 9.347 -10.779 1.00 0.00 H new ATOM 315 N GLY A 24 -5.600 2.057 -8.841 1.00 0.00 N ATOM 316 CA GLY A 24 -5.016 0.824 -9.336 1.00 0.00 C ATOM 317 C GLY A 24 -5.904 -0.379 -9.087 1.00 0.00 C ATOM 318 O GLY A 24 -6.882 -0.312 -8.342 1.00 0.00 O ATOM 0 H GLY A 24 -6.604 2.147 -8.995 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.829 0.918 -10.406 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.050 0.665 -8.856 1.00 0.00 H new ATOM 322 N PRO A 25 -5.566 -1.511 -9.723 1.00 0.00 N ATOM 323 CA PRO A 25 -6.328 -2.755 -9.583 1.00 0.00 C ATOM 324 C PRO A 25 -6.180 -3.373 -8.197 1.00 0.00 C ATOM 325 O PRO A 25 -6.823 -4.373 -7.881 1.00 0.00 O ATOM 326 CB PRO A 25 -5.712 -3.669 -10.646 1.00 0.00 C ATOM 327 CG PRO A 25 -4.330 -3.149 -10.837 1.00 0.00 C ATOM 328 CD PRO A 25 -4.413 -1.663 -10.626 1.00 0.00 C ATOM 0 HA PRO A 25 -7.399 -2.594 -9.708 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.702 -4.708 -10.317 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.280 -3.634 -11.576 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.640 -3.606 -10.128 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.960 -3.381 -11.836 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.499 -1.269 -10.181 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.565 -1.132 -11.565 1.00 0.00 H new ATOM 336 N GLY A 26 -5.327 -2.771 -7.374 1.00 0.00 N ATOM 337 CA GLY A 26 -5.110 -3.277 -6.031 1.00 0.00 C ATOM 338 C GLY A 26 -6.339 -3.139 -5.154 1.00 0.00 C ATOM 339 O GLY A 26 -6.334 -3.556 -3.995 1.00 0.00 O ATOM 0 H GLY A 26 -4.783 -1.942 -7.613 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.821 -4.327 -6.084 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.279 -2.740 -5.574 1.00 0.00 H new ATOM 343 N LEU A 27 -7.395 -2.553 -5.706 1.00 0.00 N ATOM 344 CA LEU A 27 -8.637 -2.359 -4.966 1.00 0.00 C ATOM 345 C LEU A 27 -9.764 -3.195 -5.565 1.00 0.00 C ATOM 346 O LEU A 27 -10.937 -2.990 -5.254 1.00 0.00 O ATOM 347 CB LEU A 27 -9.029 -0.881 -4.966 1.00 0.00 C ATOM 348 CG LEU A 27 -7.975 0.093 -4.438 1.00 0.00 C ATOM 349 CD1 LEU A 27 -8.309 1.518 -4.852 1.00 0.00 C ATOM 350 CD2 LEU A 27 -7.862 -0.012 -2.924 1.00 0.00 C ATOM 0 H LEU A 27 -7.416 -2.204 -6.664 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.473 -2.685 -3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.282 -0.593 -5.986 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.933 -0.766 -4.368 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.012 -0.173 -4.873 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.548 2.197 -4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.337 1.584 -5.940 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.282 1.796 -4.446 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.107 0.688 -2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.824 0.227 -2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.574 -1.027 -2.650 1.00 0.00 H new ATOM 362 N LYS A 28 -9.399 -4.141 -6.424 1.00 0.00 N ATOM 363 CA LYS A 28 -10.378 -5.012 -7.065 1.00 0.00 C ATOM 364 C LYS A 28 -10.698 -6.213 -6.181 1.00 0.00 C ATOM 365 O LYS A 28 -10.124 -6.374 -5.105 1.00 0.00 O ATOM 366 CB LYS A 28 -9.856 -5.488 -8.422 1.00 0.00 C ATOM 367 CG LYS A 28 -9.873 -4.410 -9.493 1.00 0.00 C ATOM 368 CD LYS A 28 -9.903 -5.011 -10.888 1.00 0.00 C ATOM 369 CE LYS A 28 -9.523 -3.985 -11.945 1.00 0.00 C ATOM 370 NZ LYS A 28 -8.995 -4.630 -13.179 1.00 0.00 N ATOM 0 H LYS A 28 -8.432 -4.324 -6.693 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.293 -4.440 -7.216 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.836 -5.853 -8.302 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.459 -6.332 -8.758 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.744 -3.770 -9.353 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.992 -3.777 -9.387 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.216 -5.856 -10.936 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.900 -5.398 -11.097 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.395 -3.381 -12.195 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.772 -3.307 -11.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.747 -3.898 -13.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.148 -5.186 -12.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.721 -5.258 -13.580 1.00 0.00 H new ATOM 384 N ALA A 29 -11.617 -7.054 -6.644 1.00 0.00 N ATOM 385 CA ALA A 29 -12.010 -8.243 -5.898 1.00 0.00 C ATOM 386 C ALA A 29 -11.238 -9.470 -6.372 1.00 0.00 C ATOM 387 O ALA A 29 -10.493 -10.081 -5.606 1.00 0.00 O ATOM 388 CB ALA A 29 -13.508 -8.476 -6.028 1.00 0.00 C ATOM 0 H ALA A 29 -12.103 -6.934 -7.532 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.769 -8.079 -4.848 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -13.788 -9.367 -5.466 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.046 -7.614 -5.633 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.765 -8.614 -7.078 1.00 0.00 H new ATOM 394 N ASP A 30 -11.422 -9.825 -7.639 1.00 0.00 N ATOM 395 CA ASP A 30 -10.742 -10.979 -8.216 1.00 0.00 C ATOM 396 C ASP A 30 -9.571 -10.539 -9.089 1.00 0.00 C ATOM 397 O ASP A 30 -9.740 -10.252 -10.274 1.00 0.00 O ATOM 398 CB ASP A 30 -11.722 -11.816 -9.039 1.00 0.00 C ATOM 399 CG ASP A 30 -11.148 -13.163 -9.429 1.00 0.00 C ATOM 400 OD1 ASP A 30 -11.311 -14.126 -8.650 1.00 0.00 O ATOM 401 OD2 ASP A 30 -10.536 -13.256 -10.513 1.00 0.00 O ATOM 0 H ASP A 30 -12.036 -9.330 -8.286 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.354 -11.587 -7.399 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.637 -11.967 -8.466 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.997 -11.267 -9.940 1.00 0.00 H new ATOM 406 N VAL A 31 -8.383 -10.488 -8.494 1.00 0.00 N ATOM 407 CA VAL A 31 -7.183 -10.084 -9.217 1.00 0.00 C ATOM 408 C VAL A 31 -6.692 -11.198 -10.135 1.00 0.00 C ATOM 409 O VAL A 31 -7.325 -12.248 -10.247 1.00 0.00 O ATOM 410 CB VAL A 31 -6.050 -9.693 -8.250 1.00 0.00 C ATOM 411 CG1 VAL A 31 -6.412 -8.429 -7.486 1.00 0.00 C ATOM 412 CG2 VAL A 31 -5.749 -10.837 -7.294 1.00 0.00 C ATOM 0 H VAL A 31 -8.226 -10.721 -7.514 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.453 -9.216 -9.818 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.151 -9.490 -8.833 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.599 -8.168 -6.808 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.573 -7.612 -8.190 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.323 -8.599 -6.912 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.946 -10.544 -6.618 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.643 -11.073 -6.716 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.442 -11.715 -7.862 1.00 0.00 H new ATOM 422 N VAL A 32 -5.559 -10.963 -10.788 1.00 0.00 N ATOM 423 CA VAL A 32 -4.981 -11.948 -11.695 1.00 0.00 C ATOM 424 C VAL A 32 -4.481 -13.170 -10.933 1.00 0.00 C ATOM 425 O VAL A 32 -4.129 -13.080 -9.756 1.00 0.00 O ATOM 426 CB VAL A 32 -3.816 -11.349 -12.505 1.00 0.00 C ATOM 427 CG1 VAL A 32 -4.315 -10.243 -13.422 1.00 0.00 C ATOM 428 CG2 VAL A 32 -2.731 -10.831 -11.573 1.00 0.00 C ATOM 0 H VAL A 32 -5.023 -10.099 -10.706 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.773 -12.250 -12.381 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.386 -12.135 -13.125 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.477 -9.832 -13.986 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.054 -10.649 -14.113 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.772 -9.454 -12.825 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.915 -10.411 -12.162 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.146 -10.059 -10.925 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.353 -11.652 -10.963 1.00 0.00 H new ATOM 438 N LEU A 33 -4.452 -14.312 -11.611 1.00 0.00 N ATOM 439 CA LEU A 33 -3.994 -15.554 -10.999 1.00 0.00 C ATOM 440 C LEU A 33 -2.875 -15.287 -9.997 1.00 0.00 C ATOM 441 O LEU A 33 -2.990 -15.583 -8.808 1.00 0.00 O ATOM 442 CB LEU A 33 -3.510 -16.528 -12.074 1.00 0.00 C ATOM 443 CG LEU A 33 -4.539 -17.543 -12.573 1.00 0.00 C ATOM 444 CD1 LEU A 33 -4.036 -18.241 -13.827 1.00 0.00 C ATOM 445 CD2 LEU A 33 -4.857 -18.559 -11.486 1.00 0.00 C ATOM 0 H LEU A 33 -4.740 -14.403 -12.585 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.835 -15.999 -10.467 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.157 -15.949 -12.928 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.652 -17.074 -11.682 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.456 -17.009 -12.822 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.782 -18.960 -14.167 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.860 -17.502 -14.609 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.105 -18.762 -13.605 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.591 -19.273 -11.859 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.946 -19.088 -11.205 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.262 -18.045 -10.614 1.00 0.00 H new ATOM 457 N PRO A 34 -1.767 -14.712 -10.487 1.00 0.00 N ATOM 458 CA PRO A 34 -0.607 -14.389 -9.651 1.00 0.00 C ATOM 459 C PRO A 34 -0.890 -13.246 -8.682 1.00 0.00 C ATOM 460 O PRO A 34 -1.352 -13.469 -7.564 1.00 0.00 O ATOM 461 CB PRO A 34 0.459 -13.976 -10.669 1.00 0.00 C ATOM 462 CG PRO A 34 -0.311 -13.499 -11.852 1.00 0.00 C ATOM 463 CD PRO A 34 -1.562 -14.331 -11.895 1.00 0.00 C ATOM 0 HA PRO A 34 -0.312 -15.228 -9.021 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.102 -13.190 -10.272 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.104 -14.815 -10.929 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.550 -12.439 -11.761 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.268 -13.617 -12.768 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.408 -13.765 -12.285 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.441 -15.205 -12.534 1.00 0.00 H new ATOM 471 N ALA A 35 -0.611 -12.023 -9.120 1.00 0.00 N ATOM 472 CA ALA A 35 -0.838 -10.845 -8.292 1.00 0.00 C ATOM 473 C ALA A 35 -0.688 -9.564 -9.106 1.00 0.00 C ATOM 474 O ALA A 35 -0.080 -9.566 -10.177 1.00 0.00 O ATOM 475 CB ALA A 35 0.121 -10.837 -7.111 1.00 0.00 C ATOM 0 H ALA A 35 -0.227 -11.822 -10.044 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.860 -10.888 -7.916 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.060 -9.952 -6.501 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.037 -11.731 -6.508 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.148 -10.822 -7.476 1.00 0.00 H new ATOM 481 N ARG A 36 -1.247 -8.474 -8.593 1.00 0.00 N ATOM 482 CA ARG A 36 -1.177 -7.186 -9.274 1.00 0.00 C ATOM 483 C ARG A 36 -0.750 -6.084 -8.310 1.00 0.00 C ATOM 484 O ARG A 36 -0.799 -6.257 -7.092 1.00 0.00 O ATOM 485 CB ARG A 36 -2.532 -6.840 -9.895 1.00 0.00 C ATOM 486 CG ARG A 36 -2.736 -7.432 -11.280 1.00 0.00 C ATOM 487 CD ARG A 36 -2.238 -6.492 -12.367 1.00 0.00 C ATOM 488 NE ARG A 36 -3.275 -5.561 -12.803 1.00 0.00 N ATOM 489 CZ ARG A 36 -3.097 -4.657 -13.760 1.00 0.00 C ATOM 490 NH1 ARG A 36 -1.927 -4.564 -14.377 1.00 0.00 N ATOM 491 NH2 ARG A 36 -4.089 -3.845 -14.101 1.00 0.00 N ATOM 0 H ARG A 36 -1.754 -8.456 -7.708 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.431 -7.261 -10.065 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.325 -7.195 -9.237 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.629 -5.756 -9.955 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.209 -8.384 -11.351 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.794 -7.641 -11.435 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.380 -5.931 -11.996 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.893 -7.075 -13.220 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.186 -5.607 -12.348 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.162 -5.187 -14.117 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.792 -3.869 -15.112 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.990 -3.914 -13.628 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.951 -3.151 -14.836 1.00 0.00 H new ATOM 505 N TYR A 37 -0.332 -4.951 -8.863 1.00 0.00 N ATOM 506 CA TYR A 37 0.106 -3.821 -8.052 1.00 0.00 C ATOM 507 C TYR A 37 -0.588 -2.534 -8.490 1.00 0.00 C ATOM 508 O TYR A 37 -1.075 -2.430 -9.616 1.00 0.00 O ATOM 509 CB TYR A 37 1.623 -3.654 -8.150 1.00 0.00 C ATOM 510 CG TYR A 37 2.161 -3.813 -9.554 1.00 0.00 C ATOM 511 CD1 TYR A 37 1.817 -2.914 -10.557 1.00 0.00 C ATOM 512 CD2 TYR A 37 3.010 -4.863 -9.879 1.00 0.00 C ATOM 513 CE1 TYR A 37 2.305 -3.056 -11.841 1.00 0.00 C ATOM 514 CE2 TYR A 37 3.504 -5.013 -11.161 1.00 0.00 C ATOM 515 CZ TYR A 37 3.148 -4.107 -12.138 1.00 0.00 C ATOM 516 OH TYR A 37 3.637 -4.252 -13.417 1.00 0.00 O ATOM 0 H TYR A 37 -0.287 -4.791 -9.869 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.165 -4.024 -7.016 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.896 -2.668 -7.775 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.103 -4.386 -7.501 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.157 -2.090 -10.328 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.289 -5.575 -9.116 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.028 -2.348 -12.608 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.165 -5.834 -11.396 1.00 0.00 H new ATOM 0 HH TYR A 37 4.217 -5.041 -13.458 1.00 0.00 H new ATOM 526 N PHE A 38 -0.628 -1.556 -7.592 1.00 0.00 N ATOM 527 CA PHE A 38 -1.261 -0.275 -7.884 1.00 0.00 C ATOM 528 C PHE A 38 -0.226 0.844 -7.937 1.00 0.00 C ATOM 529 O PHE A 38 0.973 0.603 -7.799 1.00 0.00 O ATOM 530 CB PHE A 38 -2.322 0.045 -6.829 1.00 0.00 C ATOM 531 CG PHE A 38 -1.806 -0.023 -5.420 1.00 0.00 C ATOM 532 CD1 PHE A 38 -1.722 -1.236 -4.756 1.00 0.00 C ATOM 533 CD2 PHE A 38 -1.405 1.127 -4.759 1.00 0.00 C ATOM 534 CE1 PHE A 38 -1.246 -1.302 -3.460 1.00 0.00 C ATOM 535 CE2 PHE A 38 -0.929 1.067 -3.463 1.00 0.00 C ATOM 536 CZ PHE A 38 -0.851 -0.148 -2.812 1.00 0.00 C ATOM 0 H PHE A 38 -0.230 -1.626 -6.656 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.740 -0.349 -8.860 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.718 1.043 -7.015 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.153 -0.652 -6.937 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.032 -2.141 -5.257 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.465 2.081 -5.262 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.183 -2.254 -2.955 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.618 1.970 -2.959 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.482 -0.196 -1.798 1.00 0.00 H new ATOM 546 N TYR A 39 -0.698 2.069 -8.138 1.00 0.00 N ATOM 547 CA TYR A 39 0.186 3.227 -8.213 1.00 0.00 C ATOM 548 C TYR A 39 -0.186 4.264 -7.158 1.00 0.00 C ATOM 549 O TYR A 39 -1.332 4.331 -6.713 1.00 0.00 O ATOM 550 CB TYR A 39 0.122 3.854 -9.606 1.00 0.00 C ATOM 551 CG TYR A 39 0.284 2.854 -10.729 1.00 0.00 C ATOM 552 CD1 TYR A 39 -0.819 2.213 -11.279 1.00 0.00 C ATOM 553 CD2 TYR A 39 1.540 2.549 -11.238 1.00 0.00 C ATOM 554 CE1 TYR A 39 -0.675 1.298 -12.304 1.00 0.00 C ATOM 555 CE2 TYR A 39 1.693 1.637 -12.264 1.00 0.00 C ATOM 556 CZ TYR A 39 0.582 1.014 -12.793 1.00 0.00 C ATOM 557 OH TYR A 39 0.730 0.103 -13.814 1.00 0.00 O ATOM 0 H TYR A 39 -1.688 2.286 -8.252 1.00 0.00 H new ATOM 0 HA TYR A 39 1.204 2.889 -8.021 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.834 4.365 -9.721 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.901 4.612 -9.690 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.806 2.434 -10.899 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.412 3.033 -10.824 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.543 0.808 -12.720 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.677 1.413 -12.650 1.00 0.00 H new ATOM 0 HH TYR A 39 1.679 0.019 -14.042 1.00 0.00 H new ATOM 567 N ILE A 40 0.792 5.073 -6.764 1.00 0.00 N ATOM 568 CA ILE A 40 0.569 6.109 -5.763 1.00 0.00 C ATOM 569 C ILE A 40 1.053 7.467 -6.260 1.00 0.00 C ATOM 570 O ILE A 40 2.256 7.707 -6.365 1.00 0.00 O ATOM 571 CB ILE A 40 1.281 5.776 -4.439 1.00 0.00 C ATOM 572 CG1 ILE A 40 0.657 4.535 -3.797 1.00 0.00 C ATOM 573 CG2 ILE A 40 1.214 6.962 -3.488 1.00 0.00 C ATOM 574 CD1 ILE A 40 1.551 3.869 -2.775 1.00 0.00 C ATOM 0 H ILE A 40 1.746 5.031 -7.123 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.506 6.151 -5.587 1.00 0.00 H new ATOM 0 HB ILE A 40 2.329 5.564 -4.651 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.281 4.816 -3.319 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.413 3.815 -4.578 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.722 6.711 -2.557 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.701 7.823 -3.946 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.172 7.203 -3.279 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.044 2.997 -2.362 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.480 3.556 -3.253 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.774 4.573 -1.973 1.00 0.00 H new ATOM 586 N GLN A 41 0.109 8.352 -6.563 1.00 0.00 N ATOM 587 CA GLN A 41 0.440 9.686 -7.048 1.00 0.00 C ATOM 588 C GLN A 41 0.412 10.701 -5.910 1.00 0.00 C ATOM 589 O GLN A 41 -0.599 10.851 -5.224 1.00 0.00 O ATOM 590 CB GLN A 41 -0.536 10.109 -8.148 1.00 0.00 C ATOM 591 CG GLN A 41 -0.383 11.560 -8.572 1.00 0.00 C ATOM 592 CD GLN A 41 0.729 11.759 -9.584 1.00 0.00 C ATOM 593 OE1 GLN A 41 0.609 11.358 -10.742 1.00 0.00 O ATOM 594 NE2 GLN A 41 1.820 12.380 -9.151 1.00 0.00 N ATOM 0 H GLN A 41 -0.891 8.169 -6.481 1.00 0.00 H new ATOM 0 HA GLN A 41 1.449 9.656 -7.459 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.391 9.468 -9.017 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.556 9.947 -7.799 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.323 11.911 -8.997 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.183 12.172 -7.693 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.877 12.696 -8.183 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.601 12.541 -9.787 1.00 0.00 H new ATOM 603 N ALA A 42 1.528 11.396 -5.716 1.00 0.00 N ATOM 604 CA ALA A 42 1.631 12.398 -4.662 1.00 0.00 C ATOM 605 C ALA A 42 0.893 13.676 -5.046 1.00 0.00 C ATOM 606 O ALA A 42 0.790 14.015 -6.225 1.00 0.00 O ATOM 607 CB ALA A 42 3.091 12.700 -4.361 1.00 0.00 C ATOM 0 H ALA A 42 2.374 11.284 -6.275 1.00 0.00 H new ATOM 0 HA ALA A 42 1.163 11.994 -3.764 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.152 13.450 -3.572 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.591 11.788 -4.035 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.577 13.079 -5.260 1.00 0.00 H new ATOM 613 N VAL A 43 0.379 14.381 -4.043 1.00 0.00 N ATOM 614 CA VAL A 43 -0.350 15.622 -4.276 1.00 0.00 C ATOM 615 C VAL A 43 -0.051 16.647 -3.188 1.00 0.00 C ATOM 616 O VAL A 43 0.254 16.289 -2.050 1.00 0.00 O ATOM 617 CB VAL A 43 -1.870 15.379 -4.333 1.00 0.00 C ATOM 618 CG1 VAL A 43 -2.609 16.679 -4.609 1.00 0.00 C ATOM 619 CG2 VAL A 43 -2.202 14.332 -5.385 1.00 0.00 C ATOM 0 H VAL A 43 0.454 14.114 -3.061 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.016 16.009 -5.238 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.197 15.003 -3.364 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.681 16.487 -4.646 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.395 17.395 -3.815 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.281 17.088 -5.564 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.280 14.172 -5.412 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.862 14.677 -6.361 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.703 13.395 -5.136 1.00 0.00 H new ATOM 629 N ASP A 44 -0.140 17.924 -3.545 1.00 0.00 N ATOM 630 CA ASP A 44 0.119 19.003 -2.599 1.00 0.00 C ATOM 631 C ASP A 44 -1.090 19.239 -1.700 1.00 0.00 C ATOM 632 O ASP A 44 -2.133 18.606 -1.864 1.00 0.00 O ATOM 633 CB ASP A 44 0.475 20.289 -3.345 1.00 0.00 C ATOM 634 CG ASP A 44 1.516 20.064 -4.424 1.00 0.00 C ATOM 635 OD1 ASP A 44 1.327 19.145 -5.247 1.00 0.00 O ATOM 636 OD2 ASP A 44 2.521 20.806 -4.444 1.00 0.00 O ATOM 0 H ASP A 44 -0.390 18.237 -4.483 1.00 0.00 H new ATOM 0 HA ASP A 44 0.962 18.710 -1.973 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.426 20.706 -3.795 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.847 21.027 -2.634 1.00 0.00 H new ATOM 641 N THR A 45 -0.943 20.155 -0.747 1.00 0.00 N ATOM 642 CA THR A 45 -2.022 20.474 0.179 1.00 0.00 C ATOM 643 C THR A 45 -3.172 21.173 -0.536 1.00 0.00 C ATOM 644 O THR A 45 -4.253 21.344 0.028 1.00 0.00 O ATOM 645 CB THR A 45 -1.527 21.371 1.330 1.00 0.00 C ATOM 646 OG1 THR A 45 -1.354 22.714 0.864 1.00 0.00 O ATOM 647 CG2 THR A 45 -0.213 20.852 1.894 1.00 0.00 C ATOM 0 H THR A 45 -0.087 20.689 -0.597 1.00 0.00 H new ATOM 0 HA THR A 45 -2.375 19.528 0.590 1.00 0.00 H new ATOM 0 HB THR A 45 -2.276 21.355 2.122 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.041 23.278 1.601 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.117 21.501 2.705 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.354 19.840 2.274 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.542 20.842 1.108 1.00 0.00 H new ATOM 655 N SER A 46 -2.933 21.574 -1.780 1.00 0.00 N ATOM 656 CA SER A 46 -3.950 22.258 -2.572 1.00 0.00 C ATOM 657 C SER A 46 -4.635 21.288 -3.530 1.00 0.00 C ATOM 658 O SER A 46 -5.831 21.401 -3.796 1.00 0.00 O ATOM 659 CB SER A 46 -3.324 23.412 -3.357 1.00 0.00 C ATOM 660 OG SER A 46 -2.698 24.340 -2.488 1.00 0.00 O ATOM 0 H SER A 46 -2.044 21.437 -2.262 1.00 0.00 H new ATOM 0 HA SER A 46 -4.700 22.657 -1.889 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.592 23.020 -4.064 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.093 23.918 -3.941 1.00 0.00 H new ATOM 0 HG SER A 46 -2.304 25.067 -3.014 1.00 0.00 H new ATOM 666 N GLY A 47 -3.866 20.334 -4.046 1.00 0.00 N ATOM 667 CA GLY A 47 -4.415 19.358 -4.969 1.00 0.00 C ATOM 668 C GLY A 47 -3.712 19.370 -6.312 1.00 0.00 C ATOM 669 O GLY A 47 -4.353 19.270 -7.357 1.00 0.00 O ATOM 0 H GLY A 47 -2.873 20.220 -3.841 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.336 18.363 -4.530 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.476 19.559 -5.116 1.00 0.00 H new ATOM 673 N ASN A 48 -2.389 19.496 -6.284 1.00 0.00 N ATOM 674 CA ASN A 48 -1.598 19.523 -7.509 1.00 0.00 C ATOM 675 C ASN A 48 -0.672 18.314 -7.586 1.00 0.00 C ATOM 676 O ASN A 48 -0.279 17.752 -6.564 1.00 0.00 O ATOM 677 CB ASN A 48 -0.778 20.813 -7.582 1.00 0.00 C ATOM 678 CG ASN A 48 -1.601 22.042 -7.246 1.00 0.00 C ATOM 679 OD1 ASN A 48 -2.612 22.321 -7.891 1.00 0.00 O ATOM 680 ND2 ASN A 48 -1.171 22.783 -6.232 1.00 0.00 N ATOM 0 H ASN A 48 -1.843 19.581 -5.427 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.284 19.487 -8.356 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.064 20.744 -6.894 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.363 20.920 -8.584 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.684 23.621 -5.960 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.328 22.514 -5.725 1.00 0.00 H new ATOM 687 N LYS A 49 -0.326 17.917 -8.807 1.00 0.00 N ATOM 688 CA LYS A 49 0.556 16.776 -9.019 1.00 0.00 C ATOM 689 C LYS A 49 2.015 17.170 -8.816 1.00 0.00 C ATOM 690 O LYS A 49 2.446 18.239 -9.250 1.00 0.00 O ATOM 691 CB LYS A 49 0.361 16.210 -10.428 1.00 0.00 C ATOM 692 CG LYS A 49 -0.844 15.293 -10.553 1.00 0.00 C ATOM 693 CD LYS A 49 -1.143 14.961 -12.006 1.00 0.00 C ATOM 694 CE LYS A 49 -1.912 13.655 -12.132 1.00 0.00 C ATOM 695 NZ LYS A 49 -2.756 13.625 -13.359 1.00 0.00 N ATOM 0 H LYS A 49 -0.644 18.369 -9.664 1.00 0.00 H new ATOM 0 HA LYS A 49 0.300 16.010 -8.287 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.253 17.036 -11.131 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.257 15.661 -10.717 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.661 14.373 -9.999 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.714 15.770 -10.101 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.721 15.769 -12.454 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.209 14.890 -12.564 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.211 12.821 -12.153 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.543 13.519 -11.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.264 12.719 -13.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.442 14.406 -13.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.151 13.729 -14.199 1.00 0.00 H new ATOM 709 N PHE A 50 2.772 16.300 -8.156 1.00 0.00 N ATOM 710 CA PHE A 50 4.184 16.557 -7.896 1.00 0.00 C ATOM 711 C PHE A 50 5.036 16.185 -9.106 1.00 0.00 C ATOM 712 O PHE A 50 5.903 16.951 -9.529 1.00 0.00 O ATOM 713 CB PHE A 50 4.650 15.771 -6.669 1.00 0.00 C ATOM 714 CG PHE A 50 4.492 16.524 -5.379 1.00 0.00 C ATOM 715 CD1 PHE A 50 3.237 16.902 -4.932 1.00 0.00 C ATOM 716 CD2 PHE A 50 5.600 16.855 -4.615 1.00 0.00 C ATOM 717 CE1 PHE A 50 3.088 17.595 -3.745 1.00 0.00 C ATOM 718 CE2 PHE A 50 5.457 17.547 -3.427 1.00 0.00 C ATOM 719 CZ PHE A 50 4.200 17.919 -2.992 1.00 0.00 C ATOM 0 H PHE A 50 2.431 15.410 -7.791 1.00 0.00 H new ATOM 0 HA PHE A 50 4.304 17.623 -7.703 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.086 14.840 -6.608 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.698 15.501 -6.797 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.364 16.653 -5.517 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.586 16.569 -4.951 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.103 17.883 -3.407 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.328 17.797 -2.839 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.087 18.462 -2.065 1.00 0.00 H new ATOM 729 N THR A 51 4.784 15.003 -9.660 1.00 0.00 N ATOM 730 CA THR A 51 5.527 14.528 -10.820 1.00 0.00 C ATOM 731 C THR A 51 7.030 14.673 -10.606 1.00 0.00 C ATOM 732 O THR A 51 7.792 14.809 -11.563 1.00 0.00 O ATOM 733 CB THR A 51 5.126 15.291 -12.096 1.00 0.00 C ATOM 734 OG1 THR A 51 5.316 16.697 -11.907 1.00 0.00 O ATOM 735 CG2 THR A 51 3.674 15.015 -12.457 1.00 0.00 C ATOM 0 H THR A 51 4.070 14.357 -9.323 1.00 0.00 H new ATOM 0 HA THR A 51 5.279 13.474 -10.944 1.00 0.00 H new ATOM 0 HB THR A 51 5.760 14.946 -12.913 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.986 16.845 -11.208 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.413 15.565 -13.362 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.539 13.947 -12.629 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.029 15.335 -11.639 1.00 0.00 H new ATOM 743 N SER A 52 7.450 14.642 -9.345 1.00 0.00 N ATOM 744 CA SER A 52 8.862 14.773 -9.006 1.00 0.00 C ATOM 745 C SER A 52 9.307 13.639 -8.087 1.00 0.00 C ATOM 746 O SER A 52 8.489 12.854 -7.611 1.00 0.00 O ATOM 747 CB SER A 52 9.124 16.122 -8.335 1.00 0.00 C ATOM 748 OG SER A 52 10.500 16.455 -8.379 1.00 0.00 O ATOM 0 H SER A 52 6.832 14.527 -8.541 1.00 0.00 H new ATOM 0 HA SER A 52 9.439 14.717 -9.929 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.543 16.898 -8.833 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.788 16.087 -7.299 1.00 0.00 H new ATOM 0 HG SER A 52 10.641 17.322 -7.945 1.00 0.00 H new ATOM 754 N SER A 53 10.612 13.562 -7.843 1.00 0.00 N ATOM 755 CA SER A 53 11.168 12.523 -6.985 1.00 0.00 C ATOM 756 C SER A 53 11.241 12.997 -5.536 1.00 0.00 C ATOM 757 O SER A 53 11.996 13.905 -5.190 1.00 0.00 O ATOM 758 CB SER A 53 12.562 12.122 -7.472 1.00 0.00 C ATOM 759 OG SER A 53 13.404 13.254 -7.597 1.00 0.00 O ATOM 0 H SER A 53 11.303 14.206 -8.227 1.00 0.00 H new ATOM 0 HA SER A 53 10.510 11.655 -7.033 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.004 11.412 -6.774 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.483 11.616 -8.434 1.00 0.00 H new ATOM 0 HG SER A 53 13.216 13.884 -6.870 1.00 0.00 H new ATOM 765 N PRO A 54 10.435 12.367 -4.668 1.00 0.00 N ATOM 766 CA PRO A 54 10.389 12.705 -3.242 1.00 0.00 C ATOM 767 C PRO A 54 11.662 12.298 -2.508 1.00 0.00 C ATOM 768 O PRO A 54 12.242 13.089 -1.766 1.00 0.00 O ATOM 769 CB PRO A 54 9.193 11.902 -2.726 1.00 0.00 C ATOM 770 CG PRO A 54 9.071 10.756 -3.669 1.00 0.00 C ATOM 771 CD PRO A 54 9.508 11.275 -5.011 1.00 0.00 C ATOM 0 HA PRO A 54 10.300 13.779 -3.080 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.358 11.558 -1.705 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.285 12.505 -2.717 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.696 9.921 -3.351 1.00 0.00 H new ATOM 0 HG3 PRO A 54 8.045 10.390 -3.707 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.999 10.501 -5.601 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.663 11.635 -5.598 1.00 0.00 H new ATOM 779 N GLY A 55 12.091 11.058 -2.721 1.00 0.00 N ATOM 780 CA GLY A 55 13.293 10.567 -2.072 1.00 0.00 C ATOM 781 C GLY A 55 13.416 9.058 -2.142 1.00 0.00 C ATOM 782 O GLY A 55 12.769 8.415 -2.968 1.00 0.00 O ATOM 0 H GLY A 55 11.628 10.385 -3.331 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.166 11.021 -2.540 1.00 0.00 H new ATOM 0 HA3 GLY A 55 13.292 10.880 -1.028 1.00 0.00 H new ATOM 786 N GLU A 56 14.249 8.492 -1.275 1.00 0.00 N ATOM 787 CA GLU A 56 14.456 7.049 -1.245 1.00 0.00 C ATOM 788 C GLU A 56 13.159 6.321 -0.906 1.00 0.00 C ATOM 789 O GLU A 56 12.543 5.692 -1.767 1.00 0.00 O ATOM 790 CB GLU A 56 15.538 6.687 -0.226 1.00 0.00 C ATOM 791 CG GLU A 56 16.942 6.678 -0.807 1.00 0.00 C ATOM 792 CD GLU A 56 17.222 7.887 -1.677 1.00 0.00 C ATOM 793 OE1 GLU A 56 17.195 9.018 -1.148 1.00 0.00 O ATOM 794 OE2 GLU A 56 17.469 7.703 -2.887 1.00 0.00 O ATOM 0 H GLU A 56 14.791 9.010 -0.584 1.00 0.00 H new ATOM 0 HA GLU A 56 14.781 6.734 -2.236 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.500 7.398 0.600 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.319 5.703 0.190 1.00 0.00 H new ATOM 0 HG2 GLU A 56 17.667 6.645 0.006 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.081 5.771 -1.396 1.00 0.00 H new ATOM 801 N LYS A 57 12.749 6.410 0.355 1.00 0.00 N ATOM 802 CA LYS A 57 11.525 5.761 0.810 1.00 0.00 C ATOM 803 C LYS A 57 10.658 6.732 1.605 1.00 0.00 C ATOM 804 O LYS A 57 10.970 7.066 2.748 1.00 0.00 O ATOM 805 CB LYS A 57 11.861 4.540 1.669 1.00 0.00 C ATOM 806 CG LYS A 57 12.869 3.603 1.027 1.00 0.00 C ATOM 807 CD LYS A 57 12.210 2.684 0.012 1.00 0.00 C ATOM 808 CE LYS A 57 13.217 2.153 -0.996 1.00 0.00 C ATOM 809 NZ LYS A 57 12.550 1.597 -2.206 1.00 0.00 N ATOM 0 H LYS A 57 13.247 6.926 1.081 1.00 0.00 H new ATOM 0 HA LYS A 57 10.966 5.438 -0.068 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.252 4.878 2.629 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.944 3.988 1.875 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.649 4.186 0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.354 3.005 1.799 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.737 1.849 0.529 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.421 3.224 -0.511 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.894 2.955 -1.291 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.825 1.379 -0.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.270 1.245 -2.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.923 0.815 -1.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.990 2.342 -2.667 1.00 0.00 H new ATOM 823 N VAL A 58 9.567 7.182 0.993 1.00 0.00 N ATOM 824 CA VAL A 58 8.653 8.112 1.644 1.00 0.00 C ATOM 825 C VAL A 58 7.280 7.482 1.848 1.00 0.00 C ATOM 826 O VAL A 58 6.633 7.696 2.873 1.00 0.00 O ATOM 827 CB VAL A 58 8.496 9.409 0.827 1.00 0.00 C ATOM 828 CG1 VAL A 58 9.830 10.128 0.704 1.00 0.00 C ATOM 829 CG2 VAL A 58 7.915 9.105 -0.546 1.00 0.00 C ATOM 0 H VAL A 58 9.295 6.917 0.046 1.00 0.00 H new ATOM 0 HA VAL A 58 9.085 8.353 2.615 1.00 0.00 H new ATOM 0 HB VAL A 58 7.804 10.068 1.352 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.699 11.041 0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.201 10.379 1.698 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.548 9.479 0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.811 10.032 -1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.581 8.428 -1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.937 8.638 -0.432 1.00 0.00 H new ATOM 839 N PHE A 59 6.841 6.704 0.865 1.00 0.00 N ATOM 840 CA PHE A 59 5.544 6.042 0.935 1.00 0.00 C ATOM 841 C PHE A 59 5.706 4.560 1.263 1.00 0.00 C ATOM 842 O PHE A 59 6.236 3.792 0.462 1.00 0.00 O ATOM 843 CB PHE A 59 4.792 6.203 -0.388 1.00 0.00 C ATOM 844 CG PHE A 59 4.292 7.599 -0.627 1.00 0.00 C ATOM 845 CD1 PHE A 59 3.336 8.158 0.206 1.00 0.00 C ATOM 846 CD2 PHE A 59 4.776 8.351 -1.685 1.00 0.00 C ATOM 847 CE1 PHE A 59 2.874 9.443 -0.010 1.00 0.00 C ATOM 848 CE2 PHE A 59 4.317 9.636 -1.906 1.00 0.00 C ATOM 849 CZ PHE A 59 3.364 10.182 -1.068 1.00 0.00 C ATOM 0 H PHE A 59 7.365 6.516 0.010 1.00 0.00 H new ATOM 0 HA PHE A 59 4.968 6.512 1.732 1.00 0.00 H new ATOM 0 HB2 PHE A 59 5.450 5.916 -1.208 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.946 5.515 -0.402 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.947 7.583 1.034 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.520 7.929 -2.344 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.131 9.868 0.648 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.703 10.213 -2.733 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.003 11.185 -1.240 1.00 0.00 H new ATOM 859 N GLN A 60 5.245 4.169 2.447 1.00 0.00 N ATOM 860 CA GLN A 60 5.340 2.781 2.882 1.00 0.00 C ATOM 861 C GLN A 60 4.008 2.061 2.702 1.00 0.00 C ATOM 862 O GLN A 60 2.943 2.670 2.808 1.00 0.00 O ATOM 863 CB GLN A 60 5.777 2.712 4.347 1.00 0.00 C ATOM 864 CG GLN A 60 5.792 1.300 4.911 1.00 0.00 C ATOM 865 CD GLN A 60 6.827 0.416 4.243 1.00 0.00 C ATOM 866 OE1 GLN A 60 7.627 0.881 3.431 1.00 0.00 O ATOM 867 NE2 GLN A 60 6.816 -0.868 4.582 1.00 0.00 N ATOM 0 H GLN A 60 4.802 4.793 3.121 1.00 0.00 H new ATOM 0 HA GLN A 60 6.087 2.284 2.263 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.774 3.143 4.441 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.106 3.327 4.947 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.993 1.343 5.982 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.805 0.854 4.789 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.135 -1.211 5.260 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.489 -1.511 4.165 1.00 0.00 H new ATOM 876 N VAL A 61 4.075 0.762 2.429 1.00 0.00 N ATOM 877 CA VAL A 61 2.873 -0.041 2.234 1.00 0.00 C ATOM 878 C VAL A 61 2.965 -1.360 2.992 1.00 0.00 C ATOM 879 O VAL A 61 4.015 -2.004 3.016 1.00 0.00 O ATOM 880 CB VAL A 61 2.630 -0.335 0.742 1.00 0.00 C ATOM 881 CG1 VAL A 61 1.336 -1.113 0.555 1.00 0.00 C ATOM 882 CG2 VAL A 61 2.605 0.959 -0.058 1.00 0.00 C ATOM 0 H VAL A 61 4.948 0.243 2.338 1.00 0.00 H new ATOM 0 HA VAL A 61 2.037 0.541 2.623 1.00 0.00 H new ATOM 0 HB VAL A 61 3.451 -0.949 0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.181 -1.312 -0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.398 -2.057 1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.501 -0.528 0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.432 0.733 -1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.805 1.600 0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.560 1.472 0.051 1.00 0.00 H new ATOM 892 N LYS A 62 1.859 -1.759 3.611 1.00 0.00 N ATOM 893 CA LYS A 62 1.813 -3.004 4.370 1.00 0.00 C ATOM 894 C LYS A 62 0.624 -3.858 3.942 1.00 0.00 C ATOM 895 O LYS A 62 -0.425 -3.335 3.564 1.00 0.00 O ATOM 896 CB LYS A 62 1.729 -2.708 5.869 1.00 0.00 C ATOM 897 CG LYS A 62 1.427 -3.933 6.714 1.00 0.00 C ATOM 898 CD LYS A 62 2.656 -4.811 6.883 1.00 0.00 C ATOM 899 CE LYS A 62 2.311 -6.129 7.559 1.00 0.00 C ATOM 900 NZ LYS A 62 3.237 -7.221 7.151 1.00 0.00 N ATOM 0 H LYS A 62 0.982 -1.238 3.602 1.00 0.00 H new ATOM 0 HA LYS A 62 2.729 -3.559 4.166 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.673 -2.273 6.199 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.956 -1.959 6.040 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.065 -3.620 7.693 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.628 -4.510 6.248 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.101 -5.007 5.908 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.404 -4.282 7.474 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.352 -6.004 8.641 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.288 -6.408 7.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.968 -8.102 7.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.180 -7.358 6.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.211 -6.966 7.413 1.00 0.00 H new ATOM 914 N VAL A 63 0.793 -5.175 4.005 1.00 0.00 N ATOM 915 CA VAL A 63 -0.267 -6.101 3.627 1.00 0.00 C ATOM 916 C VAL A 63 -0.549 -7.099 4.744 1.00 0.00 C ATOM 917 O VAL A 63 0.342 -7.829 5.178 1.00 0.00 O ATOM 918 CB VAL A 63 0.093 -6.872 2.343 1.00 0.00 C ATOM 919 CG1 VAL A 63 -0.919 -7.977 2.082 1.00 0.00 C ATOM 920 CG2 VAL A 63 0.176 -5.923 1.157 1.00 0.00 C ATOM 0 H VAL A 63 1.655 -5.624 4.315 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.160 -5.503 3.445 1.00 0.00 H new ATOM 0 HB VAL A 63 1.071 -7.333 2.479 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.648 -8.511 1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.924 -8.672 2.922 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.911 -7.541 1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.431 -6.485 0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.787 -5.431 1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.943 -5.172 1.345 1.00 0.00 H new ATOM 930 N SER A 64 -1.795 -7.126 5.206 1.00 0.00 N ATOM 931 CA SER A 64 -2.195 -8.033 6.275 1.00 0.00 C ATOM 932 C SER A 64 -3.405 -8.864 5.859 1.00 0.00 C ATOM 933 O SER A 64 -4.417 -8.326 5.411 1.00 0.00 O ATOM 934 CB SER A 64 -2.516 -7.245 7.547 1.00 0.00 C ATOM 935 OG SER A 64 -1.382 -6.528 8.003 1.00 0.00 O ATOM 0 H SER A 64 -2.545 -6.530 4.856 1.00 0.00 H new ATOM 0 HA SER A 64 -1.364 -8.709 6.474 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.334 -6.552 7.352 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.855 -7.928 8.326 1.00 0.00 H new ATOM 0 HG SER A 64 -1.614 -6.032 8.816 1.00 0.00 H new ATOM 941 N ALA A 65 -3.292 -10.179 6.011 1.00 0.00 N ATOM 942 CA ALA A 65 -4.376 -11.086 5.653 1.00 0.00 C ATOM 943 C ALA A 65 -5.256 -11.392 6.860 1.00 0.00 C ATOM 944 O ALA A 65 -4.817 -11.990 7.843 1.00 0.00 O ATOM 945 CB ALA A 65 -3.816 -12.373 5.065 1.00 0.00 C ATOM 0 H ALA A 65 -2.460 -10.641 6.380 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.994 -10.595 4.901 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.637 -13.040 4.802 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.236 -12.143 4.172 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.174 -12.859 5.799 1.00 0.00 H new ATOM 951 N PRO A 66 -6.528 -10.975 6.787 1.00 0.00 N ATOM 952 CA PRO A 66 -7.496 -11.194 7.866 1.00 0.00 C ATOM 953 C PRO A 66 -7.884 -12.662 8.008 1.00 0.00 C ATOM 954 O PRO A 66 -8.300 -13.102 9.079 1.00 0.00 O ATOM 955 CB PRO A 66 -8.705 -10.362 7.432 1.00 0.00 C ATOM 956 CG PRO A 66 -8.593 -10.275 5.949 1.00 0.00 C ATOM 957 CD PRO A 66 -7.120 -10.257 5.646 1.00 0.00 C ATOM 0 HA PRO A 66 -7.093 -10.911 8.838 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -9.640 -10.836 7.731 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.689 -9.372 7.889 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.080 -11.125 5.470 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.080 -9.375 5.573 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.898 -10.752 4.701 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.738 -9.239 5.570 1.00 0.00 H new ATOM 965 N GLU A 67 -7.743 -13.414 6.921 1.00 0.00 N ATOM 966 CA GLU A 67 -8.079 -14.833 6.926 1.00 0.00 C ATOM 967 C GLU A 67 -6.898 -15.670 7.408 1.00 0.00 C ATOM 968 O GLU A 67 -7.026 -16.463 8.341 1.00 0.00 O ATOM 969 CB GLU A 67 -8.501 -15.285 5.527 1.00 0.00 C ATOM 970 CG GLU A 67 -9.109 -16.677 5.494 1.00 0.00 C ATOM 971 CD GLU A 67 -9.373 -17.166 4.083 1.00 0.00 C ATOM 972 OE1 GLU A 67 -10.036 -16.435 3.317 1.00 0.00 O ATOM 973 OE2 GLU A 67 -8.917 -18.278 3.745 1.00 0.00 O ATOM 0 H GLU A 67 -7.399 -13.065 6.027 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.911 -14.980 7.614 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.223 -14.573 5.127 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.632 -15.262 4.869 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.438 -17.374 5.996 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.044 -16.674 6.054 1.00 0.00 H new ATOM 980 N GLU A 68 -5.749 -15.487 6.765 1.00 0.00 N ATOM 981 CA GLU A 68 -4.545 -16.227 7.128 1.00 0.00 C ATOM 982 C GLU A 68 -4.121 -15.908 8.559 1.00 0.00 C ATOM 983 O GLU A 68 -4.131 -14.751 8.976 1.00 0.00 O ATOM 984 CB GLU A 68 -3.406 -15.896 6.161 1.00 0.00 C ATOM 985 CG GLU A 68 -2.122 -16.655 6.451 1.00 0.00 C ATOM 986 CD GLU A 68 -2.102 -18.031 5.814 1.00 0.00 C ATOM 987 OE1 GLU A 68 -3.189 -18.620 5.640 1.00 0.00 O ATOM 988 OE2 GLU A 68 -0.999 -18.518 5.488 1.00 0.00 O ATOM 0 H GLU A 68 -5.626 -14.834 5.991 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.770 -17.292 7.063 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.728 -16.119 5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.203 -14.826 6.204 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.273 -16.077 6.086 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.000 -16.756 7.529 1.00 0.00 H new ATOM 995 N GLN A 69 -3.751 -16.945 9.305 1.00 0.00 N ATOM 996 CA GLN A 69 -3.325 -16.775 10.689 1.00 0.00 C ATOM 997 C GLN A 69 -2.185 -15.768 10.788 1.00 0.00 C ATOM 998 O GLN A 69 -2.260 -14.803 11.549 1.00 0.00 O ATOM 999 CB GLN A 69 -2.889 -18.118 11.278 1.00 0.00 C ATOM 1000 CG GLN A 69 -2.390 -18.020 12.710 1.00 0.00 C ATOM 1001 CD GLN A 69 -3.500 -18.191 13.728 1.00 0.00 C ATOM 1002 OE1 GLN A 69 -4.280 -17.269 13.974 1.00 0.00 O ATOM 1003 NE2 GLN A 69 -3.579 -19.373 14.327 1.00 0.00 N ATOM 0 H GLN A 69 -3.738 -17.910 8.974 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.172 -16.393 11.260 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.729 -18.811 11.241 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.100 -18.540 10.655 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.628 -18.781 12.878 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.912 -17.052 12.859 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.912 -20.109 14.093 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.306 -19.545 15.021 1.00 0.00 H new ATOM 1012 N PHE A 70 -1.129 -15.999 10.015 1.00 0.00 N ATOM 1013 CA PHE A 70 0.029 -15.113 10.017 1.00 0.00 C ATOM 1014 C PHE A 70 0.047 -14.239 8.766 1.00 0.00 C ATOM 1015 O PHE A 70 -0.758 -14.424 7.853 1.00 0.00 O ATOM 1016 CB PHE A 70 1.322 -15.927 10.104 1.00 0.00 C ATOM 1017 CG PHE A 70 1.294 -17.184 9.281 1.00 0.00 C ATOM 1018 CD1 PHE A 70 0.816 -18.368 9.818 1.00 0.00 C ATOM 1019 CD2 PHE A 70 1.747 -17.181 7.972 1.00 0.00 C ATOM 1020 CE1 PHE A 70 0.789 -19.527 9.065 1.00 0.00 C ATOM 1021 CE2 PHE A 70 1.722 -18.336 7.213 1.00 0.00 C ATOM 1022 CZ PHE A 70 1.244 -19.510 7.761 1.00 0.00 C ATOM 0 H PHE A 70 -1.051 -16.793 9.379 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.042 -14.465 10.891 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.156 -15.306 9.777 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.509 -16.188 11.146 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.460 -18.386 10.837 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.124 -16.266 7.540 1.00 0.00 H new ATOM 0 HE1 PHE A 70 0.413 -20.443 9.495 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.076 -18.320 6.193 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.226 -20.414 7.170 1.00 0.00 H new ATOM 1032 N THR A 71 0.973 -13.285 8.731 1.00 0.00 N ATOM 1033 CA THR A 71 1.096 -12.382 7.594 1.00 0.00 C ATOM 1034 C THR A 71 2.524 -12.362 7.060 1.00 0.00 C ATOM 1035 O THR A 71 3.388 -11.670 7.598 1.00 0.00 O ATOM 1036 CB THR A 71 0.681 -10.947 7.970 1.00 0.00 C ATOM 1037 OG1 THR A 71 -0.591 -10.961 8.627 1.00 0.00 O ATOM 1038 CG2 THR A 71 0.609 -10.063 6.733 1.00 0.00 C ATOM 0 H THR A 71 1.648 -13.118 9.477 1.00 0.00 H new ATOM 0 HA THR A 71 0.426 -12.755 6.819 1.00 0.00 H new ATOM 0 HB THR A 71 1.434 -10.540 8.645 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.847 -10.045 8.864 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.314 -9.055 7.023 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.586 -10.031 6.251 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.125 -10.470 6.037 1.00 0.00 H new ATOM 1046 N ARG A 72 2.764 -13.125 5.999 1.00 0.00 N ATOM 1047 CA ARG A 72 4.088 -13.195 5.392 1.00 0.00 C ATOM 1048 C ARG A 72 4.054 -12.688 3.953 1.00 0.00 C ATOM 1049 O ARG A 72 3.842 -13.458 3.017 1.00 0.00 O ATOM 1050 CB ARG A 72 4.612 -14.632 5.425 1.00 0.00 C ATOM 1051 CG ARG A 72 5.195 -15.037 6.769 1.00 0.00 C ATOM 1052 CD ARG A 72 5.823 -16.421 6.709 1.00 0.00 C ATOM 1053 NE ARG A 72 6.794 -16.628 7.781 1.00 0.00 N ATOM 1054 CZ ARG A 72 7.778 -17.518 7.719 1.00 0.00 C ATOM 1055 NH1 ARG A 72 7.922 -18.279 6.643 1.00 0.00 N ATOM 1056 NH2 ARG A 72 8.622 -17.647 8.735 1.00 0.00 N ATOM 0 H ARG A 72 2.059 -13.703 5.542 1.00 0.00 H new ATOM 0 HA ARG A 72 4.758 -12.557 5.968 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.799 -15.312 5.171 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.376 -14.749 4.657 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.946 -14.309 7.076 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.411 -15.025 7.526 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.041 -17.177 6.777 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.313 -16.555 5.745 1.00 0.00 H new ATOM 0 HE ARG A 72 6.712 -16.058 8.623 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.276 -18.182 5.860 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.679 -18.961 6.599 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.515 -17.063 9.564 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.377 -18.331 8.687 1.00 0.00 H new ATOM 1070 N VAL A 73 4.264 -11.386 3.785 1.00 0.00 N ATOM 1071 CA VAL A 73 4.258 -10.775 2.461 1.00 0.00 C ATOM 1072 C VAL A 73 5.508 -9.932 2.240 1.00 0.00 C ATOM 1073 O VAL A 73 6.088 -9.402 3.187 1.00 0.00 O ATOM 1074 CB VAL A 73 3.013 -9.892 2.256 1.00 0.00 C ATOM 1075 CG1 VAL A 73 3.022 -9.271 0.868 1.00 0.00 C ATOM 1076 CG2 VAL A 73 1.744 -10.700 2.480 1.00 0.00 C ATOM 0 H VAL A 73 4.440 -10.734 4.549 1.00 0.00 H new ATOM 0 HA VAL A 73 4.240 -11.589 1.736 1.00 0.00 H new ATOM 0 HB VAL A 73 3.036 -9.085 2.989 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.135 -8.651 0.741 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.914 -8.656 0.750 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.023 -10.060 0.116 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.874 -10.060 2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.711 -11.528 1.772 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.737 -11.091 3.497 1.00 0.00 H new ATOM 1086 N GLY A 74 5.919 -9.812 0.981 1.00 0.00 N ATOM 1087 CA GLY A 74 7.099 -9.031 0.657 1.00 0.00 C ATOM 1088 C GLY A 74 6.775 -7.814 -0.187 1.00 0.00 C ATOM 1089 O GLY A 74 6.995 -7.814 -1.399 1.00 0.00 O ATOM 0 H GLY A 74 5.456 -10.241 0.180 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.584 -8.711 1.579 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.812 -9.660 0.124 1.00 0.00 H new ATOM 1093 N VAL A 75 6.249 -6.775 0.453 1.00 0.00 N ATOM 1094 CA VAL A 75 5.894 -5.546 -0.247 1.00 0.00 C ATOM 1095 C VAL A 75 7.126 -4.687 -0.510 1.00 0.00 C ATOM 1096 O VAL A 75 7.958 -4.492 0.376 1.00 0.00 O ATOM 1097 CB VAL A 75 4.867 -4.722 0.552 1.00 0.00 C ATOM 1098 CG1 VAL A 75 4.495 -3.455 -0.203 1.00 0.00 C ATOM 1099 CG2 VAL A 75 3.631 -5.556 0.852 1.00 0.00 C ATOM 0 H VAL A 75 6.059 -6.760 1.455 1.00 0.00 H new ATOM 0 HA VAL A 75 5.451 -5.840 -1.198 1.00 0.00 H new ATOM 0 HB VAL A 75 5.320 -4.432 1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.769 -2.886 0.377 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.388 -2.850 -0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.062 -3.720 -1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.917 -4.957 1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.174 -5.879 -0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.915 -6.430 1.438 1.00 0.00 H new ATOM 1109 N GLN A 76 7.234 -4.176 -1.732 1.00 0.00 N ATOM 1110 CA GLN A 76 8.365 -3.338 -2.111 1.00 0.00 C ATOM 1111 C GLN A 76 7.922 -2.214 -3.042 1.00 0.00 C ATOM 1112 O GLN A 76 7.305 -2.459 -4.078 1.00 0.00 O ATOM 1113 CB GLN A 76 9.447 -4.180 -2.789 1.00 0.00 C ATOM 1114 CG GLN A 76 10.776 -3.456 -2.941 1.00 0.00 C ATOM 1115 CD GLN A 76 11.486 -3.255 -1.617 1.00 0.00 C ATOM 1116 OE1 GLN A 76 11.065 -2.244 -0.867 1.00 0.00 O flip ATOM 1117 NE2 GLN A 76 12.404 -4.001 -1.273 1.00 0.00 N flip ATOM 0 H GLN A 76 6.553 -4.327 -2.476 1.00 0.00 H new ATOM 0 HA GLN A 76 8.775 -2.894 -1.204 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.603 -5.090 -2.210 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.094 -4.485 -3.774 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.420 -4.024 -3.612 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.606 -2.486 -3.408 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.695 -4.766 -1.882 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.873 -3.854 -0.379 1.00 0.00 H new ATOM 1126 N VAL A 77 8.241 -0.980 -2.665 1.00 0.00 N ATOM 1127 CA VAL A 77 7.876 0.183 -3.466 1.00 0.00 C ATOM 1128 C VAL A 77 8.995 0.558 -4.431 1.00 0.00 C ATOM 1129 O VAL A 77 10.013 1.122 -4.029 1.00 0.00 O ATOM 1130 CB VAL A 77 7.550 1.397 -2.577 1.00 0.00 C ATOM 1131 CG1 VAL A 77 6.416 1.069 -1.618 1.00 0.00 C ATOM 1132 CG2 VAL A 77 8.789 1.848 -1.816 1.00 0.00 C ATOM 0 H VAL A 77 8.751 -0.760 -1.810 1.00 0.00 H new ATOM 0 HA VAL A 77 6.987 -0.090 -4.034 1.00 0.00 H new ATOM 0 HB VAL A 77 7.226 2.217 -3.218 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.200 1.939 -0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.526 0.798 -2.186 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.708 0.234 -0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.541 2.707 -1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.146 1.033 -1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.569 2.127 -2.524 1.00 0.00 H new ATOM 1142 N LEU A 78 8.799 0.243 -5.706 1.00 0.00 N ATOM 1143 CA LEU A 78 9.792 0.547 -6.731 1.00 0.00 C ATOM 1144 C LEU A 78 9.390 1.785 -7.527 1.00 0.00 C ATOM 1145 O LEU A 78 8.250 1.903 -7.977 1.00 0.00 O ATOM 1146 CB LEU A 78 9.964 -0.646 -7.673 1.00 0.00 C ATOM 1147 CG LEU A 78 11.030 -1.667 -7.274 1.00 0.00 C ATOM 1148 CD1 LEU A 78 10.956 -2.893 -8.171 1.00 0.00 C ATOM 1149 CD2 LEU A 78 12.416 -1.042 -7.335 1.00 0.00 C ATOM 0 H LEU A 78 7.962 -0.223 -6.055 1.00 0.00 H new ATOM 0 HA LEU A 78 10.741 0.749 -6.234 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.007 -1.162 -7.752 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.206 -0.267 -8.666 1.00 0.00 H new ATOM 0 HG LEU A 78 10.840 -1.981 -6.248 1.00 0.00 H new ATOM 0 HD11 LEU A 78 11.722 -3.609 -7.873 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.973 -3.354 -8.077 1.00 0.00 H new ATOM 0 HD13 LEU A 78 11.121 -2.596 -9.207 1.00 0.00 H new ATOM 0 HD21 LEU A 78 13.162 -1.783 -7.048 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.616 -0.700 -8.350 1.00 0.00 H new ATOM 0 HD23 LEU A 78 12.464 -0.195 -6.651 1.00 0.00 H new ATOM 1161 N ASP A 79 10.335 2.703 -7.700 1.00 0.00 N ATOM 1162 CA ASP A 79 10.080 3.930 -8.445 1.00 0.00 C ATOM 1163 C ASP A 79 10.006 3.651 -9.943 1.00 0.00 C ATOM 1164 O ASP A 79 10.962 3.157 -10.541 1.00 0.00 O ATOM 1165 CB ASP A 79 11.174 4.961 -8.160 1.00 0.00 C ATOM 1166 CG ASP A 79 11.190 6.085 -9.177 1.00 0.00 C ATOM 1167 OD1 ASP A 79 11.838 5.921 -10.232 1.00 0.00 O ATOM 1168 OD2 ASP A 79 10.555 7.129 -8.919 1.00 0.00 O ATOM 0 H ASP A 79 11.284 2.620 -7.335 1.00 0.00 H new ATOM 0 HA ASP A 79 9.120 4.330 -8.120 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.025 5.378 -7.164 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.145 4.465 -8.156 1.00 0.00 H new ATOM 1173 N ARG A 80 8.863 3.970 -10.543 1.00 0.00 N ATOM 1174 CA ARG A 80 8.663 3.751 -11.970 1.00 0.00 C ATOM 1175 C ARG A 80 8.870 5.044 -12.753 1.00 0.00 C ATOM 1176 O ARG A 80 9.487 5.046 -13.818 1.00 0.00 O ATOM 1177 CB ARG A 80 7.259 3.203 -12.232 1.00 0.00 C ATOM 1178 CG ARG A 80 7.030 1.814 -11.658 1.00 0.00 C ATOM 1179 CD ARG A 80 7.574 0.735 -12.580 1.00 0.00 C ATOM 1180 NE ARG A 80 6.881 0.712 -13.866 1.00 0.00 N ATOM 1181 CZ ARG A 80 7.247 -0.058 -14.885 1.00 0.00 C ATOM 1182 NH1 ARG A 80 8.294 -0.864 -14.769 1.00 0.00 N ATOM 1183 NH2 ARG A 80 6.566 -0.022 -16.023 1.00 0.00 N ATOM 0 H ARG A 80 8.062 4.381 -10.063 1.00 0.00 H new ATOM 0 HA ARG A 80 9.399 3.021 -12.306 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.526 3.888 -11.807 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.084 3.176 -13.307 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.511 1.738 -10.683 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.963 1.656 -11.500 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.638 0.902 -12.745 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.475 -0.237 -12.098 1.00 0.00 H new ATOM 0 HE ARG A 80 6.072 1.321 -13.988 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.820 -0.894 -13.896 1.00 0.00 H new ATOM 0 HH12 ARG A 80 8.573 -1.454 -15.553 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.761 0.597 -16.116 1.00 0.00 H new ATOM 0 HH22 ARG A 80 6.848 -0.613 -16.805 1.00 0.00 H new ATOM 1197 N LYS A 81 8.350 6.143 -12.217 1.00 0.00 N ATOM 1198 CA LYS A 81 8.478 7.444 -12.864 1.00 0.00 C ATOM 1199 C LYS A 81 8.987 8.493 -11.880 1.00 0.00 C ATOM 1200 O LYS A 81 9.304 8.179 -10.733 1.00 0.00 O ATOM 1201 CB LYS A 81 7.131 7.883 -13.443 1.00 0.00 C ATOM 1202 CG LYS A 81 6.665 7.033 -14.612 1.00 0.00 C ATOM 1203 CD LYS A 81 7.265 7.513 -15.924 1.00 0.00 C ATOM 1204 CE LYS A 81 6.754 6.696 -17.101 1.00 0.00 C ATOM 1205 NZ LYS A 81 5.326 6.990 -17.402 1.00 0.00 N ATOM 0 H LYS A 81 7.836 6.159 -11.336 1.00 0.00 H new ATOM 0 HA LYS A 81 9.201 7.350 -13.674 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.378 7.847 -12.656 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.205 8.921 -13.766 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.945 5.993 -14.442 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.577 7.064 -14.675 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.019 8.564 -16.075 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.352 7.444 -15.876 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.362 6.908 -17.981 1.00 0.00 H new ATOM 0 HE3 LYS A 81 6.868 5.634 -16.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 5.054 6.519 -18.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.728 6.640 -16.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.197 8.017 -17.502 1.00 0.00 H new ATOM 1219 N ASP A 82 9.062 9.738 -12.336 1.00 0.00 N ATOM 1220 CA ASP A 82 9.529 10.834 -11.495 1.00 0.00 C ATOM 1221 C ASP A 82 8.809 10.832 -10.151 1.00 0.00 C ATOM 1222 O ASP A 82 9.423 10.617 -9.107 1.00 0.00 O ATOM 1223 CB ASP A 82 9.316 12.174 -12.201 1.00 0.00 C ATOM 1224 CG ASP A 82 10.142 12.301 -13.466 1.00 0.00 C ATOM 1225 OD1 ASP A 82 10.058 11.396 -14.323 1.00 0.00 O ATOM 1226 OD2 ASP A 82 10.873 13.305 -13.598 1.00 0.00 O ATOM 0 H ASP A 82 8.805 10.014 -13.284 1.00 0.00 H new ATOM 0 HA ASP A 82 10.595 10.693 -11.316 1.00 0.00 H new ATOM 0 HB2 ASP A 82 8.260 12.288 -12.447 1.00 0.00 H new ATOM 0 HB3 ASP A 82 9.573 12.985 -11.520 1.00 0.00 H new ATOM 1231 N GLY A 83 7.502 11.075 -10.184 1.00 0.00 N ATOM 1232 CA GLY A 83 6.721 11.099 -8.962 1.00 0.00 C ATOM 1233 C GLY A 83 5.704 9.976 -8.903 1.00 0.00 C ATOM 1234 O GLY A 83 4.535 10.205 -8.591 1.00 0.00 O ATOM 0 H GLY A 83 6.971 11.256 -11.036 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.390 11.025 -8.105 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.206 12.056 -8.882 1.00 0.00 H new ATOM 1238 N SER A 84 6.148 8.760 -9.204 1.00 0.00 N ATOM 1239 CA SER A 84 5.267 7.599 -9.189 1.00 0.00 C ATOM 1240 C SER A 84 5.963 6.397 -8.558 1.00 0.00 C ATOM 1241 O SER A 84 7.191 6.311 -8.548 1.00 0.00 O ATOM 1242 CB SER A 84 4.818 7.254 -10.611 1.00 0.00 C ATOM 1243 OG SER A 84 4.484 8.424 -11.338 1.00 0.00 O ATOM 0 H SER A 84 7.113 8.553 -9.461 1.00 0.00 H new ATOM 0 HA SER A 84 4.391 7.846 -8.589 1.00 0.00 H new ATOM 0 HB2 SER A 84 5.614 6.716 -11.127 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.956 6.588 -10.572 1.00 0.00 H new ATOM 0 HG SER A 84 4.202 8.177 -12.243 1.00 0.00 H new ATOM 1249 N PHE A 85 5.168 5.471 -8.031 1.00 0.00 N ATOM 1250 CA PHE A 85 5.707 4.273 -7.396 1.00 0.00 C ATOM 1251 C PHE A 85 4.768 3.086 -7.590 1.00 0.00 C ATOM 1252 O PHE A 85 3.565 3.259 -7.793 1.00 0.00 O ATOM 1253 CB PHE A 85 5.934 4.520 -5.904 1.00 0.00 C ATOM 1254 CG PHE A 85 7.154 5.346 -5.611 1.00 0.00 C ATOM 1255 CD1 PHE A 85 8.384 4.741 -5.412 1.00 0.00 C ATOM 1256 CD2 PHE A 85 7.070 6.727 -5.536 1.00 0.00 C ATOM 1257 CE1 PHE A 85 9.509 5.498 -5.143 1.00 0.00 C ATOM 1258 CE2 PHE A 85 8.192 7.489 -5.268 1.00 0.00 C ATOM 1259 CZ PHE A 85 9.412 6.874 -5.070 1.00 0.00 C ATOM 0 H PHE A 85 4.150 5.527 -8.031 1.00 0.00 H new ATOM 0 HA PHE A 85 6.661 4.039 -7.868 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.059 5.020 -5.490 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.024 3.560 -5.395 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.465 3.665 -5.468 1.00 0.00 H new ATOM 0 HD2 PHE A 85 6.118 7.213 -5.689 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.462 5.014 -4.990 1.00 0.00 H new ATOM 0 HE2 PHE A 85 8.114 8.565 -5.214 1.00 0.00 H new ATOM 0 HZ PHE A 85 10.289 7.468 -4.858 1.00 0.00 H new ATOM 1269 N ILE A 86 5.325 1.882 -7.526 1.00 0.00 N ATOM 1270 CA ILE A 86 4.539 0.667 -7.694 1.00 0.00 C ATOM 1271 C ILE A 86 4.679 -0.251 -6.484 1.00 0.00 C ATOM 1272 O ILE A 86 5.788 -0.521 -6.022 1.00 0.00 O ATOM 1273 CB ILE A 86 4.957 -0.105 -8.960 1.00 0.00 C ATOM 1274 CG1 ILE A 86 3.809 -0.993 -9.444 1.00 0.00 C ATOM 1275 CG2 ILE A 86 6.200 -0.938 -8.686 1.00 0.00 C ATOM 1276 CD1 ILE A 86 2.810 -0.267 -10.318 1.00 0.00 C ATOM 0 H ILE A 86 6.318 1.722 -7.359 1.00 0.00 H new ATOM 0 HA ILE A 86 3.499 0.977 -7.794 1.00 0.00 H new ATOM 0 HB ILE A 86 5.191 0.613 -9.746 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.221 -1.835 -10.000 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.290 -1.406 -8.579 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.483 -1.478 -9.590 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.017 -0.283 -8.383 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.992 -1.651 -7.888 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.025 -0.958 -10.624 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.370 0.558 -9.759 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.315 0.122 -11.202 1.00 0.00 H new ATOM 1288 N VAL A 87 3.548 -0.728 -5.975 1.00 0.00 N ATOM 1289 CA VAL A 87 3.544 -1.618 -4.820 1.00 0.00 C ATOM 1290 C VAL A 87 3.307 -3.064 -5.242 1.00 0.00 C ATOM 1291 O VAL A 87 2.166 -3.487 -5.430 1.00 0.00 O ATOM 1292 CB VAL A 87 2.466 -1.209 -3.800 1.00 0.00 C ATOM 1293 CG1 VAL A 87 2.554 -2.076 -2.553 1.00 0.00 C ATOM 1294 CG2 VAL A 87 2.602 0.264 -3.445 1.00 0.00 C ATOM 0 H VAL A 87 2.622 -0.513 -6.344 1.00 0.00 H new ATOM 0 HA VAL A 87 4.525 -1.535 -4.353 1.00 0.00 H new ATOM 0 HB VAL A 87 1.486 -1.362 -4.252 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.784 -1.772 -1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.405 -3.121 -2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.536 -1.957 -2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.832 0.537 -2.723 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.586 0.445 -3.012 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.485 0.867 -4.345 1.00 0.00 H new ATOM 1304 N ARG A 88 4.391 -3.818 -5.387 1.00 0.00 N ATOM 1305 CA ARG A 88 4.301 -5.217 -5.786 1.00 0.00 C ATOM 1306 C ARG A 88 4.499 -6.139 -4.587 1.00 0.00 C ATOM 1307 O ARG A 88 5.351 -5.891 -3.734 1.00 0.00 O ATOM 1308 CB ARG A 88 5.343 -5.531 -6.861 1.00 0.00 C ATOM 1309 CG ARG A 88 6.774 -5.273 -6.417 1.00 0.00 C ATOM 1310 CD ARG A 88 7.767 -6.072 -7.245 1.00 0.00 C ATOM 1311 NE ARG A 88 9.144 -5.852 -6.811 1.00 0.00 N ATOM 1312 CZ ARG A 88 10.205 -6.273 -7.491 1.00 0.00 C ATOM 1313 NH1 ARG A 88 10.048 -6.932 -8.630 1.00 0.00 N ATOM 1314 NH2 ARG A 88 11.427 -6.034 -7.031 1.00 0.00 N ATOM 0 H ARG A 88 5.342 -3.483 -5.234 1.00 0.00 H new ATOM 0 HA ARG A 88 3.305 -5.388 -6.194 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.246 -6.576 -7.155 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.132 -4.930 -7.746 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.997 -4.210 -6.505 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.882 -5.535 -5.365 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.529 -7.133 -7.172 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.669 -5.795 -8.295 1.00 0.00 H new ATOM 0 HE ARG A 88 9.300 -5.348 -5.938 1.00 0.00 H new ATOM 0 HH11 ARG A 88 9.111 -7.117 -8.987 1.00 0.00 H new ATOM 0 HH12 ARG A 88 10.865 -7.254 -9.150 1.00 0.00 H new ATOM 0 HH21 ARG A 88 11.552 -5.527 -6.155 1.00 0.00 H new ATOM 0 HH22 ARG A 88 12.241 -6.358 -7.554 1.00 0.00 H new ATOM 1328 N TYR A 89 3.706 -7.203 -4.528 1.00 0.00 N ATOM 1329 CA TYR A 89 3.791 -8.161 -3.431 1.00 0.00 C ATOM 1330 C TYR A 89 3.822 -9.592 -3.959 1.00 0.00 C ATOM 1331 O TYR A 89 3.319 -9.875 -5.046 1.00 0.00 O ATOM 1332 CB TYR A 89 2.609 -7.982 -2.477 1.00 0.00 C ATOM 1333 CG TYR A 89 1.351 -8.686 -2.934 1.00 0.00 C ATOM 1334 CD1 TYR A 89 0.636 -8.228 -4.033 1.00 0.00 C ATOM 1335 CD2 TYR A 89 0.878 -9.808 -2.265 1.00 0.00 C ATOM 1336 CE1 TYR A 89 -0.514 -8.868 -4.454 1.00 0.00 C ATOM 1337 CE2 TYR A 89 -0.271 -10.454 -2.679 1.00 0.00 C ATOM 1338 CZ TYR A 89 -0.963 -9.980 -3.773 1.00 0.00 C ATOM 1339 OH TYR A 89 -2.109 -10.621 -4.188 1.00 0.00 O ATOM 0 H TYR A 89 2.997 -7.424 -5.227 1.00 0.00 H new ATOM 0 HA TYR A 89 4.718 -7.973 -2.889 1.00 0.00 H new ATOM 0 HB2 TYR A 89 2.888 -8.357 -1.492 1.00 0.00 H new ATOM 0 HB3 TYR A 89 2.400 -6.918 -2.366 1.00 0.00 H new ATOM 0 HD1 TYR A 89 0.985 -7.357 -4.568 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.417 -10.181 -1.407 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.058 -8.500 -5.311 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -0.625 -11.326 -2.148 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.287 -11.386 -3.602 1.00 0.00 H new ATOM 1349 N ARG A 90 4.415 -10.490 -3.180 1.00 0.00 N ATOM 1350 CA ARG A 90 4.513 -11.892 -3.567 1.00 0.00 C ATOM 1351 C ARG A 90 3.535 -12.747 -2.767 1.00 0.00 C ATOM 1352 O ARG A 90 3.109 -12.364 -1.678 1.00 0.00 O ATOM 1353 CB ARG A 90 5.940 -12.403 -3.360 1.00 0.00 C ATOM 1354 CG ARG A 90 6.200 -13.759 -3.994 1.00 0.00 C ATOM 1355 CD ARG A 90 7.688 -14.008 -4.187 1.00 0.00 C ATOM 1356 NE ARG A 90 8.207 -13.333 -5.373 1.00 0.00 N ATOM 1357 CZ ARG A 90 9.492 -13.324 -5.710 1.00 0.00 C ATOM 1358 NH1 ARG A 90 10.383 -13.950 -4.954 1.00 0.00 N ATOM 1359 NH2 ARG A 90 9.887 -12.687 -6.805 1.00 0.00 N ATOM 0 H ARG A 90 4.835 -10.272 -2.277 1.00 0.00 H new ATOM 0 HA ARG A 90 4.257 -11.969 -4.624 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.640 -11.678 -3.774 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.142 -12.467 -2.291 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.777 -14.543 -3.365 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.693 -13.815 -4.957 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.230 -13.662 -3.307 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.868 -15.080 -4.272 1.00 0.00 H new ATOM 0 HE ARG A 90 7.547 -12.842 -5.976 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.083 -14.440 -4.111 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.369 -13.942 -5.215 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.204 -12.204 -7.388 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.874 -12.680 -7.063 1.00 0.00 H new ATOM 1373 N MET A 91 3.183 -13.905 -3.315 1.00 0.00 N ATOM 1374 CA MET A 91 2.255 -14.814 -2.652 1.00 0.00 C ATOM 1375 C MET A 91 2.440 -16.242 -3.155 1.00 0.00 C ATOM 1376 O MET A 91 2.933 -16.462 -4.262 1.00 0.00 O ATOM 1377 CB MET A 91 0.812 -14.362 -2.883 1.00 0.00 C ATOM 1378 CG MET A 91 -0.223 -15.365 -2.400 1.00 0.00 C ATOM 1379 SD MET A 91 -0.256 -15.519 -0.604 1.00 0.00 S ATOM 1380 CE MET A 91 -1.370 -14.185 -0.169 1.00 0.00 C ATOM 0 H MET A 91 3.526 -14.236 -4.217 1.00 0.00 H new ATOM 0 HA MET A 91 2.467 -14.794 -1.583 1.00 0.00 H new ATOM 0 HB2 MET A 91 0.651 -13.412 -2.373 1.00 0.00 H new ATOM 0 HB3 MET A 91 0.662 -14.182 -3.947 1.00 0.00 H new ATOM 0 HG2 MET A 91 -1.209 -15.062 -2.753 1.00 0.00 H new ATOM 0 HG3 MET A 91 -0.012 -16.339 -2.840 1.00 0.00 H new ATOM 0 HE1 MET A 91 -2.064 -14.526 0.599 1.00 0.00 H new ATOM 0 HE2 MET A 91 -0.795 -13.340 0.211 1.00 0.00 H new ATOM 0 HE3 MET A 91 -1.929 -13.875 -1.052 1.00 0.00 H new ATOM 1390 N TYR A 92 2.042 -17.209 -2.336 1.00 0.00 N ATOM 1391 CA TYR A 92 2.166 -18.616 -2.697 1.00 0.00 C ATOM 1392 C TYR A 92 0.797 -19.234 -2.961 1.00 0.00 C ATOM 1393 O TYR A 92 0.506 -19.677 -4.072 1.00 0.00 O ATOM 1394 CB TYR A 92 2.882 -19.388 -1.587 1.00 0.00 C ATOM 1395 CG TYR A 92 4.099 -18.676 -1.041 1.00 0.00 C ATOM 1396 CD1 TYR A 92 5.237 -18.509 -1.819 1.00 0.00 C ATOM 1397 CD2 TYR A 92 4.109 -18.169 0.252 1.00 0.00 C ATOM 1398 CE1 TYR A 92 6.352 -17.859 -1.324 1.00 0.00 C ATOM 1399 CE2 TYR A 92 5.218 -17.516 0.755 1.00 0.00 C ATOM 1400 CZ TYR A 92 6.337 -17.365 -0.037 1.00 0.00 C ATOM 1401 OH TYR A 92 7.444 -16.716 0.460 1.00 0.00 O ATOM 0 H TYR A 92 1.631 -17.044 -1.417 1.00 0.00 H new ATOM 0 HA TYR A 92 2.755 -18.679 -3.612 1.00 0.00 H new ATOM 0 HB2 TYR A 92 2.181 -19.569 -0.772 1.00 0.00 H new ATOM 0 HB3 TYR A 92 3.183 -20.363 -1.970 1.00 0.00 H new ATOM 0 HD1 TYR A 92 5.251 -18.894 -2.828 1.00 0.00 H new ATOM 0 HD2 TYR A 92 3.235 -18.287 0.875 1.00 0.00 H new ATOM 0 HE1 TYR A 92 7.230 -17.739 -1.942 1.00 0.00 H new ATOM 0 HE2 TYR A 92 5.209 -17.126 1.762 1.00 0.00 H new ATOM 0 HH TYR A 92 7.269 -16.429 1.381 1.00 0.00 H new ATOM 1411 N ALA A 93 -0.042 -19.260 -1.930 1.00 0.00 N ATOM 1412 CA ALA A 93 -1.382 -19.820 -2.049 1.00 0.00 C ATOM 1413 C ALA A 93 -2.178 -19.617 -0.764 1.00 0.00 C ATOM 1414 O ALA A 93 -1.676 -19.048 0.205 1.00 0.00 O ATOM 1415 CB ALA A 93 -1.306 -21.299 -2.397 1.00 0.00 C ATOM 0 H ALA A 93 0.183 -18.899 -1.003 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.899 -19.295 -2.852 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.314 -21.705 -2.483 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.783 -21.423 -3.345 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.767 -21.830 -1.613 1.00 0.00 H new ATOM 1421 N SER A 94 -3.422 -20.086 -0.764 1.00 0.00 N ATOM 1422 CA SER A 94 -4.289 -19.951 0.401 1.00 0.00 C ATOM 1423 C SER A 94 -4.540 -18.482 0.725 1.00 0.00 C ATOM 1424 O SER A 94 -4.463 -18.068 1.882 1.00 0.00 O ATOM 1425 CB SER A 94 -3.667 -20.653 1.610 1.00 0.00 C ATOM 1426 OG SER A 94 -3.937 -22.044 1.587 1.00 0.00 O ATOM 0 H SER A 94 -3.852 -20.562 -1.557 1.00 0.00 H new ATOM 0 HA SER A 94 -5.244 -20.421 0.168 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.589 -20.489 1.615 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.060 -20.218 2.529 1.00 0.00 H new ATOM 0 HG SER A 94 -3.527 -22.470 2.369 1.00 0.00 H new ATOM 1432 N TYR A 95 -4.839 -17.698 -0.305 1.00 0.00 N ATOM 1433 CA TYR A 95 -5.099 -16.274 -0.132 1.00 0.00 C ATOM 1434 C TYR A 95 -6.423 -15.879 -0.779 1.00 0.00 C ATOM 1435 O TYR A 95 -6.582 -15.963 -1.997 1.00 0.00 O ATOM 1436 CB TYR A 95 -3.959 -15.450 -0.732 1.00 0.00 C ATOM 1437 CG TYR A 95 -4.075 -15.254 -2.227 1.00 0.00 C ATOM 1438 CD1 TYR A 95 -3.883 -16.315 -3.104 1.00 0.00 C ATOM 1439 CD2 TYR A 95 -4.378 -14.009 -2.763 1.00 0.00 C ATOM 1440 CE1 TYR A 95 -3.987 -16.141 -4.470 1.00 0.00 C ATOM 1441 CE2 TYR A 95 -4.486 -13.826 -4.129 1.00 0.00 C ATOM 1442 CZ TYR A 95 -4.289 -14.895 -4.977 1.00 0.00 C ATOM 1443 OH TYR A 95 -4.395 -14.718 -6.338 1.00 0.00 O ATOM 0 H TYR A 95 -4.907 -18.025 -1.269 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.163 -16.069 0.937 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.933 -14.474 -0.247 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.011 -15.941 -0.511 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -3.648 -17.293 -2.710 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.532 -13.169 -2.101 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -3.833 -16.976 -5.137 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -4.723 -12.851 -4.529 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.690 -15.228 -6.790 1.00 0.00 H new ATOM 1453 N LYS A 96 -7.371 -15.447 0.046 1.00 0.00 N ATOM 1454 CA LYS A 96 -8.682 -15.036 -0.443 1.00 0.00 C ATOM 1455 C LYS A 96 -8.832 -13.519 -0.388 1.00 0.00 C ATOM 1456 O LYS A 96 -9.159 -12.882 -1.388 1.00 0.00 O ATOM 1457 CB LYS A 96 -9.787 -15.699 0.381 1.00 0.00 C ATOM 1458 CG LYS A 96 -11.066 -15.944 -0.401 1.00 0.00 C ATOM 1459 CD LYS A 96 -10.916 -17.111 -1.363 1.00 0.00 C ATOM 1460 CE LYS A 96 -11.178 -18.440 -0.671 1.00 0.00 C ATOM 1461 NZ LYS A 96 -10.637 -19.587 -1.452 1.00 0.00 N ATOM 0 H LYS A 96 -7.256 -15.372 1.057 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.771 -15.355 -1.482 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.420 -16.650 0.767 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.013 -15.071 1.243 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -11.884 -16.144 0.291 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.332 -15.045 -0.957 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.610 -16.990 -2.195 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.910 -17.110 -1.784 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.725 -18.429 0.320 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.251 -18.571 -0.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.835 -20.475 -0.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.088 -19.613 -2.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.609 -19.476 -1.566 1.00 0.00 H new ATOM 1475 N ASN A 97 -8.590 -12.947 0.787 1.00 0.00 N ATOM 1476 CA ASN A 97 -8.698 -11.505 0.972 1.00 0.00 C ATOM 1477 C ASN A 97 -7.387 -10.924 1.493 1.00 0.00 C ATOM 1478 O ASN A 97 -6.585 -11.626 2.110 1.00 0.00 O ATOM 1479 CB ASN A 97 -9.835 -11.178 1.943 1.00 0.00 C ATOM 1480 CG ASN A 97 -9.845 -12.094 3.151 1.00 0.00 C ATOM 1481 OD1 ASN A 97 -8.794 -12.525 3.626 1.00 0.00 O ATOM 1482 ND2 ASN A 97 -11.036 -12.396 3.654 1.00 0.00 N ATOM 0 H ASN A 97 -8.318 -13.460 1.625 1.00 0.00 H new ATOM 0 HA ASN A 97 -8.915 -11.055 0.003 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -9.739 -10.144 2.275 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -10.789 -11.258 1.422 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -11.106 -13.008 4.467 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.881 -12.016 3.228 1.00 0.00 H new ATOM 1489 N LEU A 98 -7.175 -9.637 1.240 1.00 0.00 N ATOM 1490 CA LEU A 98 -5.961 -8.960 1.683 1.00 0.00 C ATOM 1491 C LEU A 98 -6.269 -7.539 2.145 1.00 0.00 C ATOM 1492 O LEU A 98 -7.069 -6.833 1.530 1.00 0.00 O ATOM 1493 CB LEU A 98 -4.929 -8.929 0.555 1.00 0.00 C ATOM 1494 CG LEU A 98 -4.532 -10.286 -0.028 1.00 0.00 C ATOM 1495 CD1 LEU A 98 -3.795 -10.106 -1.346 1.00 0.00 C ATOM 1496 CD2 LEU A 98 -3.676 -11.062 0.962 1.00 0.00 C ATOM 0 H LEU A 98 -7.828 -9.041 0.731 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.551 -9.517 2.526 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.321 -8.310 -0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.029 -8.438 0.926 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.440 -10.858 -0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.521 -11.082 -1.746 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.441 -9.591 -2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.894 -9.515 -1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.403 -12.025 0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.772 -10.495 1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.239 -11.223 1.881 1.00 0.00 H new ATOM 1508 N LYS A 99 -5.625 -7.123 3.231 1.00 0.00 N ATOM 1509 CA LYS A 99 -5.826 -5.785 3.775 1.00 0.00 C ATOM 1510 C LYS A 99 -4.709 -4.845 3.332 1.00 0.00 C ATOM 1511 O LYS A 99 -3.548 -5.030 3.697 1.00 0.00 O ATOM 1512 CB LYS A 99 -5.888 -5.837 5.303 1.00 0.00 C ATOM 1513 CG LYS A 99 -6.446 -4.573 5.933 1.00 0.00 C ATOM 1514 CD LYS A 99 -6.146 -4.512 7.421 1.00 0.00 C ATOM 1515 CE LYS A 99 -7.149 -5.325 8.225 1.00 0.00 C ATOM 1516 NZ LYS A 99 -7.355 -4.760 9.588 1.00 0.00 N ATOM 0 H LYS A 99 -4.959 -7.694 3.752 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.772 -5.402 3.393 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.503 -6.685 5.605 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.886 -6.015 5.693 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.019 -3.700 5.439 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.524 -4.533 5.776 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.140 -4.888 7.606 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.166 -3.475 7.755 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.101 -5.353 7.696 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.800 -6.354 8.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.045 -5.342 10.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.451 -4.756 10.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.713 -3.787 9.510 1.00 0.00 H new ATOM 1530 N VAL A 100 -5.069 -3.836 2.546 1.00 0.00 N ATOM 1531 CA VAL A 100 -4.097 -2.865 2.056 1.00 0.00 C ATOM 1532 C VAL A 100 -3.929 -1.712 3.039 1.00 0.00 C ATOM 1533 O VAL A 100 -4.893 -1.269 3.662 1.00 0.00 O ATOM 1534 CB VAL A 100 -4.511 -2.300 0.684 1.00 0.00 C ATOM 1535 CG1 VAL A 100 -3.385 -1.470 0.086 1.00 0.00 C ATOM 1536 CG2 VAL A 100 -4.913 -3.426 -0.257 1.00 0.00 C ATOM 0 H VAL A 100 -6.026 -3.669 2.235 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.148 -3.391 1.952 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.374 -1.649 0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.696 -1.079 -0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.150 -0.641 0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.501 -2.094 -0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.202 -3.008 -1.221 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.071 -4.104 -0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.754 -3.973 0.169 1.00 0.00 H new ATOM 1546 N GLU A 101 -2.697 -1.230 3.172 1.00 0.00 N ATOM 1547 CA GLU A 101 -2.403 -0.128 4.080 1.00 0.00 C ATOM 1548 C GLU A 101 -1.349 0.801 3.484 1.00 0.00 C ATOM 1549 O GLU A 101 -0.352 0.347 2.922 1.00 0.00 O ATOM 1550 CB GLU A 101 -1.922 -0.664 5.430 1.00 0.00 C ATOM 1551 CG GLU A 101 -3.046 -0.920 6.419 1.00 0.00 C ATOM 1552 CD GLU A 101 -2.539 -1.177 7.825 1.00 0.00 C ATOM 1553 OE1 GLU A 101 -1.581 -0.494 8.245 1.00 0.00 O ATOM 1554 OE2 GLU A 101 -3.101 -2.061 8.505 1.00 0.00 O ATOM 0 H GLU A 101 -1.888 -1.585 2.663 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.321 0.440 4.230 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.373 -1.592 5.268 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.222 0.049 5.866 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.718 -0.061 6.430 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.630 -1.777 6.085 1.00 0.00 H new ATOM 1561 N ILE A 102 -1.577 2.104 3.612 1.00 0.00 N ATOM 1562 CA ILE A 102 -0.648 3.097 3.087 1.00 0.00 C ATOM 1563 C ILE A 102 -0.503 4.275 4.045 1.00 0.00 C ATOM 1564 O ILE A 102 -1.495 4.852 4.491 1.00 0.00 O ATOM 1565 CB ILE A 102 -1.101 3.621 1.712 1.00 0.00 C ATOM 1566 CG1 ILE A 102 -1.459 2.454 0.790 1.00 0.00 C ATOM 1567 CG2 ILE A 102 -0.013 4.482 1.088 1.00 0.00 C ATOM 1568 CD1 ILE A 102 -2.904 2.020 0.898 1.00 0.00 C ATOM 0 H ILE A 102 -2.397 2.496 4.075 1.00 0.00 H new ATOM 0 HA ILE A 102 0.316 2.600 2.977 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.990 4.237 1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -1.250 2.739 -0.241 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.815 1.606 1.024 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.349 4.845 0.116 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.198 5.330 1.739 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.892 3.889 0.961 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.086 1.189 0.217 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -3.114 1.704 1.920 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.555 2.854 0.636 1.00 0.00 H new ATOM 1580 N LYS A 103 0.739 4.627 4.357 1.00 0.00 N ATOM 1581 CA LYS A 103 1.016 5.738 5.259 1.00 0.00 C ATOM 1582 C LYS A 103 2.300 6.458 4.858 1.00 0.00 C ATOM 1583 O LYS A 103 3.166 5.883 4.199 1.00 0.00 O ATOM 1584 CB LYS A 103 1.130 5.236 6.700 1.00 0.00 C ATOM 1585 CG LYS A 103 -0.193 4.778 7.291 1.00 0.00 C ATOM 1586 CD LYS A 103 -0.095 4.586 8.795 1.00 0.00 C ATOM 1587 CE LYS A 103 0.433 3.204 9.148 1.00 0.00 C ATOM 1588 NZ LYS A 103 1.922 3.170 9.173 1.00 0.00 N ATOM 0 H LYS A 103 1.571 4.158 3.998 1.00 0.00 H new ATOM 0 HA LYS A 103 0.188 6.443 5.190 1.00 0.00 H new ATOM 0 HB2 LYS A 103 1.839 4.409 6.733 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.540 6.032 7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.966 5.513 7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.497 3.842 6.823 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.562 5.346 9.218 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -1.077 4.727 9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.046 2.905 10.122 1.00 0.00 H new ATOM 0 HE3 LYS A 103 0.065 2.478 8.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 2.262 2.399 8.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.296 4.076 8.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.249 3.010 10.147 1.00 0.00 H new ATOM 1602 N PHE A 104 2.417 7.719 5.262 1.00 0.00 N ATOM 1603 CA PHE A 104 3.595 8.517 4.945 1.00 0.00 C ATOM 1604 C PHE A 104 4.069 9.297 6.167 1.00 0.00 C ATOM 1605 O PHE A 104 3.427 10.259 6.589 1.00 0.00 O ATOM 1606 CB PHE A 104 3.291 9.482 3.797 1.00 0.00 C ATOM 1607 CG PHE A 104 4.134 10.724 3.818 1.00 0.00 C ATOM 1608 CD1 PHE A 104 5.438 10.700 3.350 1.00 0.00 C ATOM 1609 CD2 PHE A 104 3.623 11.916 4.305 1.00 0.00 C ATOM 1610 CE1 PHE A 104 6.217 11.842 3.368 1.00 0.00 C ATOM 1611 CE2 PHE A 104 4.397 13.061 4.325 1.00 0.00 C ATOM 1612 CZ PHE A 104 5.696 13.024 3.857 1.00 0.00 C ATOM 0 H PHE A 104 1.710 8.210 5.810 1.00 0.00 H new ATOM 0 HA PHE A 104 4.390 7.838 4.638 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.443 8.966 2.849 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.239 9.766 3.840 1.00 0.00 H new ATOM 0 HD1 PHE A 104 5.851 9.778 2.967 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.608 11.951 4.673 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.232 11.810 3.000 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.986 13.984 4.706 1.00 0.00 H new ATOM 0 HZ PHE A 104 6.303 13.917 3.873 1.00 0.00 H new ATOM 1622 N GLN A 105 5.196 8.875 6.732 1.00 0.00 N ATOM 1623 CA GLN A 105 5.754 9.533 7.907 1.00 0.00 C ATOM 1624 C GLN A 105 4.768 9.501 9.069 1.00 0.00 C ATOM 1625 O GLN A 105 4.812 10.351 9.957 1.00 0.00 O ATOM 1626 CB GLN A 105 6.127 10.980 7.578 1.00 0.00 C ATOM 1627 CG GLN A 105 7.174 11.104 6.483 1.00 0.00 C ATOM 1628 CD GLN A 105 8.583 10.877 6.994 1.00 0.00 C ATOM 1629 OE1 GLN A 105 8.906 11.217 8.132 1.00 0.00 O ATOM 1630 NE2 GLN A 105 9.432 10.298 6.153 1.00 0.00 N ATOM 0 H GLN A 105 5.740 8.081 6.395 1.00 0.00 H new ATOM 0 HA GLN A 105 6.653 8.992 8.203 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.229 11.518 7.273 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.498 11.465 8.481 1.00 0.00 H new ATOM 0 HG2 GLN A 105 6.957 10.383 5.695 1.00 0.00 H new ATOM 0 HG3 GLN A 105 7.110 12.095 6.035 1.00 0.00 H new ATOM 0 HE21 GLN A 105 9.122 10.032 5.218 1.00 0.00 H new ATOM 0 HE22 GLN A 105 10.394 10.119 6.442 1.00 0.00 H new ATOM 1639 N GLY A 106 3.877 8.514 9.056 1.00 0.00 N ATOM 1640 CA GLY A 106 2.891 8.391 10.114 1.00 0.00 C ATOM 1641 C GLY A 106 1.582 9.073 9.770 1.00 0.00 C ATOM 1642 O GLY A 106 0.828 9.467 10.659 1.00 0.00 O ATOM 0 H GLY A 106 3.820 7.798 8.332 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.706 7.335 10.313 1.00 0.00 H new ATOM 0 HA3 GLY A 106 3.292 8.822 11.031 1.00 0.00 H new ATOM 1646 N GLN A 107 1.312 9.214 8.476 1.00 0.00 N ATOM 1647 CA GLN A 107 0.086 9.855 8.017 1.00 0.00 C ATOM 1648 C GLN A 107 -0.543 9.070 6.871 1.00 0.00 C ATOM 1649 O GLN A 107 0.053 8.926 5.803 1.00 0.00 O ATOM 1650 CB GLN A 107 0.372 11.290 7.572 1.00 0.00 C ATOM 1651 CG GLN A 107 0.847 12.194 8.698 1.00 0.00 C ATOM 1652 CD GLN A 107 1.444 13.492 8.193 1.00 0.00 C ATOM 1653 OE1 GLN A 107 0.809 14.230 7.439 1.00 0.00 O ATOM 1654 NE2 GLN A 107 2.673 13.779 8.607 1.00 0.00 N ATOM 0 H GLN A 107 1.926 8.893 7.727 1.00 0.00 H new ATOM 0 HA GLN A 107 -0.618 9.874 8.849 1.00 0.00 H new ATOM 0 HB2 GLN A 107 1.128 11.274 6.787 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.533 11.713 7.135 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.009 12.417 9.358 1.00 0.00 H new ATOM 0 HG3 GLN A 107 1.590 11.665 9.294 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.163 13.139 9.232 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.127 14.639 8.300 1.00 0.00 H new ATOM 1663 N HIS A 108 -1.751 8.565 7.099 1.00 0.00 N ATOM 1664 CA HIS A 108 -2.461 7.794 6.085 1.00 0.00 C ATOM 1665 C HIS A 108 -2.677 8.625 4.823 1.00 0.00 C ATOM 1666 O HIS A 108 -3.038 9.800 4.895 1.00 0.00 O ATOM 1667 CB HIS A 108 -3.807 7.313 6.629 1.00 0.00 C ATOM 1668 CG HIS A 108 -3.703 6.094 7.492 1.00 0.00 C ATOM 1669 ND1 HIS A 108 -4.039 4.830 7.053 1.00 0.00 N ATOM 1670 CD2 HIS A 108 -3.295 5.949 8.774 1.00 0.00 C ATOM 1671 CE1 HIS A 108 -3.844 3.962 8.029 1.00 0.00 C ATOM 1672 NE2 HIS A 108 -3.392 4.615 9.085 1.00 0.00 N ATOM 0 H HIS A 108 -2.259 8.676 7.977 1.00 0.00 H new ATOM 0 HA HIS A 108 -1.851 6.928 5.829 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.265 8.117 7.204 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -4.473 7.100 5.792 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -2.956 6.736 9.431 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -4.024 2.898 7.973 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -3.154 4.197 9.984 1.00 0.00 H new ATOM 1681 N VAL A 109 -2.453 8.007 3.668 1.00 0.00 N ATOM 1682 CA VAL A 109 -2.623 8.689 2.391 1.00 0.00 C ATOM 1683 C VAL A 109 -4.038 8.507 1.854 1.00 0.00 C ATOM 1684 O VAL A 109 -4.703 9.475 1.487 1.00 0.00 O ATOM 1685 CB VAL A 109 -1.618 8.176 1.342 1.00 0.00 C ATOM 1686 CG1 VAL A 109 -1.995 8.670 -0.046 1.00 0.00 C ATOM 1687 CG2 VAL A 109 -0.204 8.607 1.704 1.00 0.00 C ATOM 0 H VAL A 109 -2.153 7.035 3.590 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.440 9.748 2.572 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.651 7.087 1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.274 8.297 -0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.990 8.307 -0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.992 9.760 -0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.493 8.236 0.953 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.153 9.695 1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.062 8.199 2.679 1.00 0.00 H new ATOM 1697 N ALA A 110 -4.492 7.258 1.811 1.00 0.00 N ATOM 1698 CA ALA A 110 -5.830 6.948 1.322 1.00 0.00 C ATOM 1699 C ALA A 110 -6.715 6.416 2.444 1.00 0.00 C ATOM 1700 O ALA A 110 -6.309 6.382 3.606 1.00 0.00 O ATOM 1701 CB ALA A 110 -5.755 5.942 0.183 1.00 0.00 C ATOM 0 H ALA A 110 -3.953 6.445 2.109 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.277 7.870 0.949 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -6.761 5.719 -0.173 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -5.166 6.360 -0.633 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.284 5.025 0.538 1.00 0.00 H new ATOM 1707 N LYS A 111 -7.927 6.003 2.089 1.00 0.00 N ATOM 1708 CA LYS A 111 -8.871 5.471 3.065 1.00 0.00 C ATOM 1709 C LYS A 111 -8.474 4.062 3.495 1.00 0.00 C ATOM 1710 O LYS A 111 -9.221 3.106 3.286 1.00 0.00 O ATOM 1711 CB LYS A 111 -10.286 5.459 2.482 1.00 0.00 C ATOM 1712 CG LYS A 111 -11.047 6.754 2.706 1.00 0.00 C ATOM 1713 CD LYS A 111 -11.680 6.798 4.087 1.00 0.00 C ATOM 1714 CE LYS A 111 -12.951 7.632 4.091 1.00 0.00 C ATOM 1715 NZ LYS A 111 -13.322 8.070 5.465 1.00 0.00 N ATOM 0 H LYS A 111 -8.279 6.026 1.132 1.00 0.00 H new ATOM 0 HA LYS A 111 -8.852 6.118 3.942 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -10.227 5.262 1.411 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.846 4.637 2.927 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -10.370 7.600 2.588 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -11.822 6.858 1.946 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -11.908 5.784 4.416 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -10.969 7.213 4.801 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.813 8.507 3.456 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -13.768 7.052 3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -14.194 8.636 5.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -13.478 7.235 6.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -12.554 8.645 5.865 1.00 0.00 H new ATOM 1729 N SER A 112 -7.295 3.942 4.096 1.00 0.00 N ATOM 1730 CA SER A 112 -6.798 2.649 4.553 1.00 0.00 C ATOM 1731 C SER A 112 -6.969 2.504 6.062 1.00 0.00 C ATOM 1732 O SER A 112 -7.134 3.483 6.791 1.00 0.00 O ATOM 1733 CB SER A 112 -5.325 2.483 4.177 1.00 0.00 C ATOM 1734 OG SER A 112 -5.188 1.853 2.915 1.00 0.00 O ATOM 0 H SER A 112 -6.666 4.724 4.278 1.00 0.00 H new ATOM 0 HA SER A 112 -7.381 1.869 4.062 1.00 0.00 H new ATOM 0 HB2 SER A 112 -4.840 3.459 4.154 1.00 0.00 H new ATOM 0 HB3 SER A 112 -4.816 1.892 4.939 1.00 0.00 H new ATOM 0 HG SER A 112 -5.986 2.027 2.374 1.00 0.00 H new ATOM 1740 N PRO A 113 -6.928 1.253 6.544 1.00 0.00 N ATOM 1741 CA PRO A 113 -6.732 0.080 5.686 1.00 0.00 C ATOM 1742 C PRO A 113 -7.940 -0.196 4.798 1.00 0.00 C ATOM 1743 O PRO A 113 -9.003 0.398 4.976 1.00 0.00 O ATOM 1744 CB PRO A 113 -6.530 -1.061 6.686 1.00 0.00 C ATOM 1745 CG PRO A 113 -7.227 -0.608 7.922 1.00 0.00 C ATOM 1746 CD PRO A 113 -7.070 0.886 7.963 1.00 0.00 C ATOM 0 HA PRO A 113 -5.898 0.213 4.997 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -6.952 -1.994 6.313 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -5.471 -1.242 6.872 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -8.280 -0.889 7.901 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -6.791 -1.070 8.807 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -7.935 1.369 8.418 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -6.197 1.183 8.544 1.00 0.00 H new ATOM 1754 N TYR A 114 -7.770 -1.102 3.841 1.00 0.00 N ATOM 1755 CA TYR A 114 -8.846 -1.456 2.924 1.00 0.00 C ATOM 1756 C TYR A 114 -9.342 -2.875 3.187 1.00 0.00 C ATOM 1757 O TYR A 114 -8.558 -3.825 3.203 1.00 0.00 O ATOM 1758 CB TYR A 114 -8.372 -1.331 1.475 1.00 0.00 C ATOM 1759 CG TYR A 114 -8.483 0.072 0.921 1.00 0.00 C ATOM 1760 CD1 TYR A 114 -9.649 0.504 0.301 1.00 0.00 C ATOM 1761 CD2 TYR A 114 -7.422 0.964 1.016 1.00 0.00 C ATOM 1762 CE1 TYR A 114 -9.756 1.784 -0.207 1.00 0.00 C ATOM 1763 CE2 TYR A 114 -7.520 2.246 0.511 1.00 0.00 C ATOM 1764 CZ TYR A 114 -8.689 2.652 -0.099 1.00 0.00 C ATOM 1765 OH TYR A 114 -8.790 3.928 -0.604 1.00 0.00 O ATOM 0 H TYR A 114 -6.897 -1.604 3.681 1.00 0.00 H new ATOM 0 HA TYR A 114 -9.672 -0.765 3.090 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -7.334 -1.657 1.412 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -8.957 -2.007 0.851 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -10.486 -0.173 0.215 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -6.505 0.650 1.493 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -10.670 2.104 -0.686 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -6.686 2.927 0.593 1.00 0.00 H new ATOM 0 HH TYR A 114 -9.723 4.225 -0.559 1.00 0.00 H new ATOM 1775 N ILE A 115 -10.648 -3.010 3.392 1.00 0.00 N ATOM 1776 CA ILE A 115 -11.249 -4.312 3.653 1.00 0.00 C ATOM 1777 C ILE A 115 -12.160 -4.736 2.506 1.00 0.00 C ATOM 1778 O ILE A 115 -13.233 -4.165 2.307 1.00 0.00 O ATOM 1779 CB ILE A 115 -12.060 -4.305 4.962 1.00 0.00 C ATOM 1780 CG1 ILE A 115 -11.320 -3.513 6.042 1.00 0.00 C ATOM 1781 CG2 ILE A 115 -12.325 -5.728 5.429 1.00 0.00 C ATOM 1782 CD1 ILE A 115 -9.940 -4.051 6.347 1.00 0.00 C ATOM 0 H ILE A 115 -11.310 -2.234 3.382 1.00 0.00 H new ATOM 0 HA ILE A 115 -10.430 -5.025 3.746 1.00 0.00 H new ATOM 0 HB ILE A 115 -13.018 -3.821 4.775 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -11.234 -2.474 5.724 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -11.914 -3.519 6.956 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -12.899 -5.706 6.355 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -12.889 -6.263 4.665 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -11.377 -6.237 5.602 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -9.475 -3.441 7.121 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -10.020 -5.081 6.695 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.330 -4.020 5.444 1.00 0.00 H new ATOM 1794 N LEU A 116 -11.726 -5.742 1.755 1.00 0.00 N ATOM 1795 CA LEU A 116 -12.503 -6.246 0.628 1.00 0.00 C ATOM 1796 C LEU A 116 -12.627 -7.765 0.687 1.00 0.00 C ATOM 1797 O LEU A 116 -11.627 -8.483 0.648 1.00 0.00 O ATOM 1798 CB LEU A 116 -11.853 -5.827 -0.693 1.00 0.00 C ATOM 1799 CG LEU A 116 -11.467 -4.353 -0.813 1.00 0.00 C ATOM 1800 CD1 LEU A 116 -10.201 -4.066 -0.020 1.00 0.00 C ATOM 1801 CD2 LEU A 116 -11.283 -3.967 -2.273 1.00 0.00 C ATOM 0 H LEU A 116 -10.840 -6.225 1.906 1.00 0.00 H new ATOM 0 HA LEU A 116 -13.503 -5.816 0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.957 -6.430 -0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -12.538 -6.070 -1.505 1.00 0.00 H new ATOM 0 HG LEU A 116 -12.275 -3.751 -0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.942 -3.012 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -10.368 -4.303 1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.385 -4.677 -0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -11.008 -2.914 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -10.494 -4.576 -2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -12.215 -4.134 -2.814 1.00 0.00 H new ATOM 1813 N LYS A 117 -13.860 -8.250 0.780 1.00 0.00 N ATOM 1814 CA LYS A 117 -14.117 -9.684 0.842 1.00 0.00 C ATOM 1815 C LYS A 117 -15.262 -10.072 -0.089 1.00 0.00 C ATOM 1816 O LYS A 117 -15.764 -11.194 -0.037 1.00 0.00 O ATOM 1817 CB LYS A 117 -14.447 -10.103 2.276 1.00 0.00 C ATOM 1818 CG LYS A 117 -15.617 -9.343 2.878 1.00 0.00 C ATOM 1819 CD LYS A 117 -15.159 -8.065 3.562 1.00 0.00 C ATOM 1820 CE LYS A 117 -16.340 -7.198 3.970 1.00 0.00 C ATOM 1821 NZ LYS A 117 -17.390 -7.985 4.673 1.00 0.00 N ATOM 0 H LYS A 117 -14.698 -7.670 0.814 1.00 0.00 H new ATOM 0 HA LYS A 117 -13.216 -10.204 0.517 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -14.671 -11.170 2.292 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -13.567 -9.953 2.901 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -16.336 -9.100 2.095 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -16.132 -9.978 3.599 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -14.568 -8.314 4.443 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -14.509 -7.504 2.890 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -15.993 -6.394 4.619 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -16.769 -6.729 3.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -18.056 -7.337 5.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -17.903 -8.572 3.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -16.946 -8.597 5.387 1.00 0.00 H new ATOM 1835 N GLY A 118 -15.669 -9.136 -0.941 1.00 0.00 N ATOM 1836 CA GLY A 118 -16.751 -9.400 -1.871 1.00 0.00 C ATOM 1837 C GLY A 118 -16.265 -9.544 -3.300 1.00 0.00 C ATOM 1838 O GLY A 118 -15.228 -8.992 -3.668 1.00 0.00 O ATOM 0 H GLY A 118 -15.269 -8.200 -1.004 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -17.268 -10.312 -1.573 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -17.478 -8.589 -1.818 1.00 0.00 H new ATOM 1842 N SER A 119 -17.013 -10.290 -4.106 1.00 0.00 N ATOM 1843 CA SER A 119 -16.650 -10.509 -5.501 1.00 0.00 C ATOM 1844 C SER A 119 -17.847 -10.277 -6.418 1.00 0.00 C ATOM 1845 O SER A 119 -18.646 -11.182 -6.656 1.00 0.00 O ATOM 1846 CB SER A 119 -16.114 -11.930 -5.693 1.00 0.00 C ATOM 1847 OG SER A 119 -14.756 -12.020 -5.297 1.00 0.00 O ATOM 0 H SER A 119 -17.875 -10.753 -3.817 1.00 0.00 H new ATOM 0 HA SER A 119 -15.870 -9.795 -5.764 1.00 0.00 H new ATOM 0 HB2 SER A 119 -16.713 -12.630 -5.111 1.00 0.00 H new ATOM 0 HB3 SER A 119 -16.211 -12.221 -6.739 1.00 0.00 H new ATOM 0 HG SER A 119 -14.437 -12.937 -5.428 1.00 0.00 H new ATOM 1853 N GLY A 120 -17.964 -9.056 -6.930 1.00 0.00 N ATOM 1854 CA GLY A 120 -19.066 -8.725 -7.815 1.00 0.00 C ATOM 1855 C GLY A 120 -20.036 -7.741 -7.190 1.00 0.00 C ATOM 1856 O GLY A 120 -19.888 -7.339 -6.036 1.00 0.00 O ATOM 0 H GLY A 120 -17.316 -8.290 -6.748 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -18.671 -8.304 -8.740 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -19.600 -9.637 -8.082 1.00 0.00 H new ATOM 1860 N PRO A 121 -21.054 -7.336 -7.964 1.00 0.00 N ATOM 1861 CA PRO A 121 -22.071 -6.387 -7.501 1.00 0.00 C ATOM 1862 C PRO A 121 -22.987 -6.990 -6.441 1.00 0.00 C ATOM 1863 O PRO A 121 -22.898 -8.178 -6.133 1.00 0.00 O ATOM 1864 CB PRO A 121 -22.862 -6.067 -8.771 1.00 0.00 C ATOM 1865 CG PRO A 121 -22.672 -7.258 -9.646 1.00 0.00 C ATOM 1866 CD PRO A 121 -21.291 -7.774 -9.349 1.00 0.00 C ATOM 0 HA PRO A 121 -21.626 -5.512 -7.028 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -23.917 -5.903 -8.550 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -22.492 -5.161 -9.250 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -23.425 -8.018 -9.439 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -22.770 -6.989 -10.698 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -21.239 -8.859 -9.442 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -20.551 -7.359 -10.034 1.00 0.00 H new ATOM 1874 N SER A 122 -23.867 -6.163 -5.886 1.00 0.00 N ATOM 1875 CA SER A 122 -24.797 -6.614 -4.858 1.00 0.00 C ATOM 1876 C SER A 122 -26.013 -7.290 -5.485 1.00 0.00 C ATOM 1877 O SER A 122 -26.146 -7.343 -6.707 1.00 0.00 O ATOM 1878 CB SER A 122 -25.245 -5.435 -3.992 1.00 0.00 C ATOM 1879 OG SER A 122 -24.275 -5.129 -3.005 1.00 0.00 O ATOM 0 H SER A 122 -23.955 -5.177 -6.131 1.00 0.00 H new ATOM 0 HA SER A 122 -24.282 -7.341 -4.230 1.00 0.00 H new ATOM 0 HB2 SER A 122 -25.416 -4.562 -4.621 1.00 0.00 H new ATOM 0 HB3 SER A 122 -26.194 -5.672 -3.512 1.00 0.00 H new ATOM 0 HG SER A 122 -24.584 -4.371 -2.466 1.00 0.00 H new ATOM 1885 N SER A 123 -26.898 -7.805 -4.637 1.00 0.00 N ATOM 1886 CA SER A 123 -28.102 -8.481 -5.106 1.00 0.00 C ATOM 1887 C SER A 123 -29.348 -7.669 -4.769 1.00 0.00 C ATOM 1888 O SER A 123 -29.335 -6.841 -3.858 1.00 0.00 O ATOM 1889 CB SER A 123 -28.204 -9.875 -4.484 1.00 0.00 C ATOM 1890 OG SER A 123 -28.926 -10.758 -5.326 1.00 0.00 O ATOM 0 H SER A 123 -26.804 -7.767 -3.622 1.00 0.00 H new ATOM 0 HA SER A 123 -28.036 -8.578 -6.190 1.00 0.00 H new ATOM 0 HB2 SER A 123 -27.204 -10.272 -4.308 1.00 0.00 H new ATOM 0 HB3 SER A 123 -28.696 -9.809 -3.514 1.00 0.00 H new ATOM 0 HG SER A 123 -28.976 -11.642 -4.907 1.00 0.00 H new ATOM 1896 N GLY A 124 -30.424 -7.912 -5.510 1.00 0.00 N ATOM 1897 CA GLY A 124 -31.664 -7.196 -5.276 1.00 0.00 C ATOM 1898 C GLY A 124 -31.847 -6.026 -6.223 1.00 0.00 C ATOM 1899 O GLY A 124 -32.968 -5.710 -6.620 1.00 0.00 O ATOM 0 H GLY A 124 -30.459 -8.593 -6.269 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -32.503 -7.883 -5.386 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -31.682 -6.834 -4.248 1.00 0.00 H new TER 1903 GLY A 124