USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1047 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 NoAdj-H: A 21 HIS HD1 : A 21 HIS ND1 : A 191 ZNZN :(H bumps) USER MOD NoAdj-H: A 43 HIS HE2 : A 43 HIS NE2 : A 241 ZNZN :(H bumps) USER MOD NoAdj-H: A 49 HIS HE2 : A 49 HIS NE2 : A 241 ZNZN :(H bumps) USER MOD NoAdj-H: A 100 HIS HD1 : A 100 HIS ND1 : A 341 ZNZN :(H bumps) USER MOD NoAdj-H: A 117 HIS HD1 : A 117 HIS ND1 : A 391 ZNZN :(H bumps) USER MOD NoAdj-H: A 133 HIS HE2 : A 133 HIS NE2 : A 441 ZNZN :(H bumps) USER MOD Set 1.1: A 68 GLN : amide:sc= -3.3 K(o=-9.2,f=-13!) USER MOD Set 1.2: A 71 GLN :FLIP amide:sc= -5.94! C(o=-10!,f=-9.2!) USER MOD Set 2.1: A 63 ASN : amide:sc= -1.83! C(o=-0.39!,f=-2!) USER MOD Set 2.2: A 79 THR OG1 : rot 98:sc= 1.45 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 22:sc= 0.972 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.911 K(o=-0.91,f=-2.6!) USER MOD Single : A 14 GLN : amide:sc= -1.86! C(o=-1.9!,f=-4.4!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 22:sc= 0.429 USER MOD Single : A 29 LYS NZ :NH3+ 160:sc= 1.15 (180deg=0.837) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0108 USER MOD Single : A 45 THR OG1 : rot 106:sc= 1.21 USER MOD Single : A 46 ASN : amide:sc= 0.388 X(o=0.39,f=-0.0007) USER MOD Single : A 50 GLN : amide:sc= -0.0844 X(o=-0.084,f=-0.0091) USER MOD Single : A 55 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.103) USER MOD Single : A 57 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00855) USER MOD Single : A 60 GLN : amide:sc= 0.394 K(o=0.39,f=-3.1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.0292 X(o=-0.029,f=0) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.148 F(o=-0.87,f=-0.15) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -2.18 X(o=-2.2,f=-2.5!) USER MOD Single : A 94 LYS NZ :NH3+ 144:sc= -0.437 (180deg=-1.23) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN :FLIP amide:sc= -2.21 F(o=-3.6!,f=-2.2) USER MOD Single : A 99 TYR OH : rot 180:sc= -0.0148 USER MOD Single : A 103 SER OG : rot -160:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -149:sc= -0.804 (180deg=-1.69) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= -0.0141 K(o=-0.014,f=-1.1) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0703) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.085 17.877 -7.159 1.00 0.00 N ATOM 2 CA GLY A 1 -25.609 16.812 -6.325 1.00 0.00 C ATOM 3 C GLY A 1 -27.005 17.109 -5.814 1.00 0.00 C ATOM 4 O GLY A 1 -27.176 17.875 -4.866 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.129 17.626 -7.483 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.706 18.010 -7.983 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.044 18.759 -6.610 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.624 15.883 -6.895 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.941 16.656 -5.478 1.00 0.00 H new ATOM 8 N SER A 2 -28.006 16.502 -6.443 1.00 0.00 N ATOM 9 CA SER A 2 -29.394 16.710 -6.050 1.00 0.00 C ATOM 10 C SER A 2 -29.880 15.577 -5.151 1.00 0.00 C ATOM 11 O SER A 2 -29.196 14.568 -4.982 1.00 0.00 O ATOM 12 CB SER A 2 -30.287 16.812 -7.288 1.00 0.00 C ATOM 13 OG SER A 2 -30.589 15.528 -7.807 1.00 0.00 O ATOM 0 H SER A 2 -27.881 15.862 -7.227 1.00 0.00 H new ATOM 0 HA SER A 2 -29.451 17.644 -5.491 1.00 0.00 H new ATOM 0 HB2 SER A 2 -31.211 17.331 -7.032 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.788 17.408 -8.052 1.00 0.00 H new ATOM 0 HG SER A 2 -31.162 15.621 -8.597 1.00 0.00 H new ATOM 19 N SER A 3 -31.065 15.753 -4.575 1.00 0.00 N ATOM 20 CA SER A 3 -31.641 14.749 -3.689 1.00 0.00 C ATOM 21 C SER A 3 -33.136 14.589 -3.949 1.00 0.00 C ATOM 22 O SER A 3 -33.763 15.442 -4.576 1.00 0.00 O ATOM 23 CB SER A 3 -31.404 15.131 -2.227 1.00 0.00 C ATOM 24 OG SER A 3 -32.235 16.213 -1.842 1.00 0.00 O ATOM 0 H SER A 3 -31.645 16.582 -4.706 1.00 0.00 H new ATOM 0 HA SER A 3 -31.150 13.797 -3.892 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.601 14.271 -1.587 1.00 0.00 H new ATOM 0 HB3 SER A 3 -30.358 15.402 -2.084 1.00 0.00 H new ATOM 0 HG SER A 3 -32.066 16.437 -0.903 1.00 0.00 H new ATOM 30 N GLY A 4 -33.701 13.489 -3.461 1.00 0.00 N ATOM 31 CA GLY A 4 -35.118 13.236 -3.651 1.00 0.00 C ATOM 32 C GLY A 4 -35.608 12.050 -2.844 1.00 0.00 C ATOM 33 O GLY A 4 -34.954 11.625 -1.892 1.00 0.00 O ATOM 0 H GLY A 4 -33.203 12.769 -2.938 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -35.684 14.123 -3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -35.314 13.058 -4.708 1.00 0.00 H new ATOM 37 N SER A 5 -36.763 11.514 -3.225 1.00 0.00 N ATOM 38 CA SER A 5 -37.343 10.373 -2.526 1.00 0.00 C ATOM 39 C SER A 5 -36.600 9.087 -2.876 1.00 0.00 C ATOM 40 O SER A 5 -36.626 8.633 -4.020 1.00 0.00 O ATOM 41 CB SER A 5 -38.825 10.231 -2.880 1.00 0.00 C ATOM 42 OG SER A 5 -38.991 9.813 -4.224 1.00 0.00 O ATOM 0 H SER A 5 -37.315 11.851 -4.013 1.00 0.00 H new ATOM 0 HA SER A 5 -37.247 10.548 -1.454 1.00 0.00 H new ATOM 0 HB2 SER A 5 -39.294 9.510 -2.211 1.00 0.00 H new ATOM 0 HB3 SER A 5 -39.331 11.184 -2.727 1.00 0.00 H new ATOM 0 HG SER A 5 -38.170 9.377 -4.535 1.00 0.00 H new ATOM 48 N SER A 6 -35.938 8.505 -1.881 1.00 0.00 N ATOM 49 CA SER A 6 -35.184 7.273 -2.083 1.00 0.00 C ATOM 50 C SER A 6 -34.626 6.755 -0.761 1.00 0.00 C ATOM 51 O SER A 6 -33.873 7.448 -0.078 1.00 0.00 O ATOM 52 CB SER A 6 -34.042 7.506 -3.075 1.00 0.00 C ATOM 53 OG SER A 6 -33.106 6.443 -3.033 1.00 0.00 O ATOM 0 H SER A 6 -35.908 8.866 -0.928 1.00 0.00 H new ATOM 0 HA SER A 6 -35.862 6.523 -2.490 1.00 0.00 H new ATOM 0 HB2 SER A 6 -34.445 7.600 -4.083 1.00 0.00 H new ATOM 0 HB3 SER A 6 -33.541 8.446 -2.843 1.00 0.00 H new ATOM 0 HG SER A 6 -32.387 6.615 -3.677 1.00 0.00 H new ATOM 59 N GLY A 7 -35.002 5.530 -0.406 1.00 0.00 N ATOM 60 CA GLY A 7 -34.531 4.939 0.833 1.00 0.00 C ATOM 61 C GLY A 7 -33.052 4.610 0.793 1.00 0.00 C ATOM 62 O GLY A 7 -32.264 5.333 0.185 1.00 0.00 O ATOM 0 H GLY A 7 -35.624 4.936 -0.954 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -34.725 5.626 1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -35.097 4.030 1.036 1.00 0.00 H new ATOM 66 N GLY A 8 -32.673 3.514 1.444 1.00 0.00 N ATOM 67 CA GLY A 8 -31.279 3.111 1.469 1.00 0.00 C ATOM 68 C GLY A 8 -31.015 1.883 0.621 1.00 0.00 C ATOM 69 O GLY A 8 -31.194 1.910 -0.597 1.00 0.00 O ATOM 0 H GLY A 8 -33.306 2.898 1.954 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -30.660 3.934 1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -30.981 2.909 2.498 1.00 0.00 H new ATOM 73 N VAL A 9 -30.587 0.802 1.265 1.00 0.00 N ATOM 74 CA VAL A 9 -30.298 -0.443 0.562 1.00 0.00 C ATOM 75 C VAL A 9 -29.996 -1.570 1.543 1.00 0.00 C ATOM 76 O VAL A 9 -29.616 -1.326 2.688 1.00 0.00 O ATOM 77 CB VAL A 9 -29.105 -0.280 -0.399 1.00 0.00 C ATOM 78 CG1 VAL A 9 -27.807 -0.133 0.381 1.00 0.00 C ATOM 79 CG2 VAL A 9 -29.029 -1.458 -1.358 1.00 0.00 C ATOM 0 H VAL A 9 -30.433 0.763 2.272 1.00 0.00 H new ATOM 0 HA VAL A 9 -31.188 -0.696 -0.015 1.00 0.00 H new ATOM 0 HB VAL A 9 -29.254 0.627 -0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -26.975 -0.019 -0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -27.866 0.746 1.023 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -27.648 -1.020 0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -28.181 -1.326 -2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -28.904 -2.381 -0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -29.948 -1.512 -1.941 1.00 0.00 H new ATOM 89 N ARG A 10 -30.167 -2.806 1.085 1.00 0.00 N ATOM 90 CA ARG A 10 -29.913 -3.973 1.922 1.00 0.00 C ATOM 91 C ARG A 10 -29.465 -5.162 1.077 1.00 0.00 C ATOM 92 O ARG A 10 -30.254 -5.735 0.327 1.00 0.00 O ATOM 93 CB ARG A 10 -31.169 -4.341 2.714 1.00 0.00 C ATOM 94 CG ARG A 10 -31.246 -3.676 4.079 1.00 0.00 C ATOM 95 CD ARG A 10 -32.686 -3.432 4.499 1.00 0.00 C ATOM 96 NE ARG A 10 -33.255 -4.582 5.197 1.00 0.00 N ATOM 97 CZ ARG A 10 -34.539 -4.681 5.524 1.00 0.00 C ATOM 98 NH1 ARG A 10 -35.382 -3.705 5.217 1.00 0.00 N ATOM 99 NH2 ARG A 10 -34.982 -5.759 6.159 1.00 0.00 N ATOM 0 H ARG A 10 -30.480 -3.025 0.139 1.00 0.00 H new ATOM 0 HA ARG A 10 -29.112 -3.722 2.618 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -32.049 -4.063 2.134 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -31.202 -5.423 2.844 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -30.751 -4.305 4.820 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -30.708 -2.729 4.054 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -32.731 -2.556 5.146 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -33.288 -3.209 3.618 1.00 0.00 H new ATOM 0 HE ARG A 10 -32.633 -5.351 5.447 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -35.045 -2.875 4.728 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -36.367 -3.784 5.469 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -34.337 -6.512 6.396 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -35.968 -5.834 6.410 1.00 0.00 H new ATOM 113 N ASN A 11 -28.193 -5.525 1.204 1.00 0.00 N ATOM 114 CA ASN A 11 -27.639 -6.645 0.451 1.00 0.00 C ATOM 115 C ASN A 11 -26.520 -7.326 1.233 1.00 0.00 C ATOM 116 O ASN A 11 -26.139 -6.874 2.314 1.00 0.00 O ATOM 117 CB ASN A 11 -27.111 -6.165 -0.903 1.00 0.00 C ATOM 118 CG ASN A 11 -26.480 -4.788 -0.822 1.00 0.00 C ATOM 119 OD1 ASN A 11 -27.148 -3.774 -1.029 1.00 0.00 O ATOM 120 ND2 ASN A 11 -25.188 -4.746 -0.520 1.00 0.00 N ATOM 0 H ASN A 11 -27.527 -5.060 1.821 1.00 0.00 H new ATOM 0 HA ASN A 11 -28.436 -7.370 0.287 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -26.375 -6.877 -1.276 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -27.929 -6.145 -1.623 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -24.709 -3.848 -0.451 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -24.674 -5.612 -0.357 1.00 0.00 H new ATOM 127 N LEU A 12 -25.997 -8.414 0.680 1.00 0.00 N ATOM 128 CA LEU A 12 -24.921 -9.158 1.325 1.00 0.00 C ATOM 129 C LEU A 12 -23.631 -9.062 0.516 1.00 0.00 C ATOM 130 O LEU A 12 -23.532 -9.613 -0.580 1.00 0.00 O ATOM 131 CB LEU A 12 -25.320 -10.625 1.496 1.00 0.00 C ATOM 132 CG LEU A 12 -26.261 -10.933 2.661 1.00 0.00 C ATOM 133 CD1 LEU A 12 -27.677 -10.485 2.336 1.00 0.00 C ATOM 134 CD2 LEU A 12 -26.232 -12.418 2.992 1.00 0.00 C ATOM 0 H LEU A 12 -26.300 -8.801 -0.214 1.00 0.00 H new ATOM 0 HA LEU A 12 -24.746 -8.718 2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -25.794 -10.962 0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -24.412 -11.215 1.622 1.00 0.00 H new ATOM 0 HG LEU A 12 -25.919 -10.380 3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -28.333 -10.712 3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -27.685 -9.411 2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -28.030 -11.010 1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -26.908 -12.619 3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -26.549 -12.991 2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -25.219 -12.709 3.269 1.00 0.00 H new ATOM 146 N ALA A 13 -22.646 -8.359 1.065 1.00 0.00 N ATOM 147 CA ALA A 13 -21.361 -8.194 0.396 1.00 0.00 C ATOM 148 C ALA A 13 -20.562 -9.493 0.414 1.00 0.00 C ATOM 149 O ALA A 13 -20.733 -10.324 1.305 1.00 0.00 O ATOM 150 CB ALA A 13 -20.566 -7.074 1.051 1.00 0.00 C ATOM 0 H ALA A 13 -22.713 -7.895 1.971 1.00 0.00 H new ATOM 0 HA ALA A 13 -21.552 -7.930 -0.644 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -19.609 -6.961 0.542 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -21.126 -6.141 0.981 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -20.393 -7.316 2.100 1.00 0.00 H new ATOM 156 N GLN A 14 -19.691 -9.660 -0.576 1.00 0.00 N ATOM 157 CA GLN A 14 -18.868 -10.859 -0.674 1.00 0.00 C ATOM 158 C GLN A 14 -17.604 -10.722 0.169 1.00 0.00 C ATOM 159 O GLN A 14 -17.075 -9.625 0.339 1.00 0.00 O ATOM 160 CB GLN A 14 -18.494 -11.129 -2.133 1.00 0.00 C ATOM 161 CG GLN A 14 -17.808 -9.955 -2.813 1.00 0.00 C ATOM 162 CD GLN A 14 -18.792 -8.952 -3.381 1.00 0.00 C ATOM 163 OE1 GLN A 14 -20.003 -9.176 -3.365 1.00 0.00 O ATOM 164 NE2 GLN A 14 -18.277 -7.838 -3.887 1.00 0.00 N ATOM 0 H GLN A 14 -19.537 -8.980 -1.321 1.00 0.00 H new ATOM 0 HA GLN A 14 -19.448 -11.699 -0.293 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -17.837 -11.998 -2.176 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -19.396 -11.384 -2.689 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -17.158 -9.454 -2.096 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -17.171 -10.327 -3.615 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -17.267 -7.694 -3.880 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -18.891 -7.126 -4.283 1.00 0.00 H new ATOM 173 N GLY A 15 -17.126 -11.845 0.697 1.00 0.00 N ATOM 174 CA GLY A 15 -15.929 -11.828 1.517 1.00 0.00 C ATOM 175 C GLY A 15 -14.662 -11.963 0.696 1.00 0.00 C ATOM 176 O GLY A 15 -14.369 -13.019 0.136 1.00 0.00 O ATOM 0 H GLY A 15 -17.546 -12.766 0.571 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.894 -10.898 2.084 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -15.977 -12.641 2.242 1.00 0.00 H new ATOM 180 N PRO A 16 -13.886 -10.872 0.616 1.00 0.00 N ATOM 181 CA PRO A 16 -12.631 -10.847 -0.141 1.00 0.00 C ATOM 182 C PRO A 16 -11.543 -11.693 0.511 1.00 0.00 C ATOM 183 O PRO A 16 -11.625 -12.021 1.695 1.00 0.00 O ATOM 184 CB PRO A 16 -12.238 -9.368 -0.128 1.00 0.00 C ATOM 185 CG PRO A 16 -12.889 -8.813 1.091 1.00 0.00 C ATOM 186 CD PRO A 16 -14.173 -9.579 1.259 1.00 0.00 C ATOM 0 HA PRO A 16 -12.751 -11.262 -1.142 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.156 -9.247 -0.089 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -12.583 -8.859 -1.028 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.247 -8.930 1.964 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.083 -7.746 0.979 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -14.433 -9.702 2.310 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.010 -9.070 0.781 1.00 0.00 H new ATOM 194 N ARG A 17 -10.525 -12.043 -0.268 1.00 0.00 N ATOM 195 CA ARG A 17 -9.421 -12.852 0.235 1.00 0.00 C ATOM 196 C ARG A 17 -8.078 -12.220 -0.121 1.00 0.00 C ATOM 197 O ARG A 17 -7.109 -12.920 -0.411 1.00 0.00 O ATOM 198 CB ARG A 17 -9.497 -14.269 -0.336 1.00 0.00 C ATOM 199 CG ARG A 17 -10.853 -14.930 -0.145 1.00 0.00 C ATOM 200 CD ARG A 17 -11.828 -14.527 -1.241 1.00 0.00 C ATOM 201 NE ARG A 17 -12.793 -15.584 -1.530 1.00 0.00 N ATOM 202 CZ ARG A 17 -13.602 -15.573 -2.584 1.00 0.00 C ATOM 203 NH1 ARG A 17 -13.561 -14.564 -3.443 1.00 0.00 N ATOM 204 NH2 ARG A 17 -14.453 -16.572 -2.780 1.00 0.00 N ATOM 0 H ARG A 17 -10.442 -11.779 -1.250 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.504 -12.900 1.321 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.265 -14.236 -1.401 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.732 -14.884 0.138 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.734 -16.013 -0.143 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.261 -14.652 0.827 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.359 -13.624 -0.940 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.274 -14.284 -2.148 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.849 -16.374 -0.888 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.908 -13.795 -3.295 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -14.183 -14.557 -4.252 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.487 -17.350 -2.121 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.073 -16.562 -3.590 1.00 0.00 H new ATOM 218 N GLY A 18 -8.030 -10.892 -0.096 1.00 0.00 N ATOM 219 CA GLY A 18 -6.802 -10.188 -0.419 1.00 0.00 C ATOM 220 C GLY A 18 -6.846 -9.544 -1.790 1.00 0.00 C ATOM 221 O GLY A 18 -7.119 -10.210 -2.789 1.00 0.00 O ATOM 0 H GLY A 18 -8.819 -10.291 0.142 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.618 -9.421 0.333 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.965 -10.885 -0.375 1.00 0.00 H new ATOM 225 N CYS A 19 -6.578 -8.243 -1.840 1.00 0.00 N ATOM 226 CA CYS A 19 -6.590 -7.507 -3.098 1.00 0.00 C ATOM 227 C CYS A 19 -5.197 -7.471 -3.721 1.00 0.00 C ATOM 228 O CYS A 19 -4.218 -7.883 -3.099 1.00 0.00 O ATOM 229 CB CYS A 19 -7.098 -6.082 -2.874 1.00 0.00 C ATOM 230 SG CYS A 19 -6.326 -5.231 -1.460 1.00 0.00 S ATOM 0 H CYS A 19 -6.350 -7.677 -1.023 1.00 0.00 H new ATOM 0 HA CYS A 19 -7.262 -8.021 -3.785 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -6.920 -5.498 -3.777 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -8.177 -6.112 -2.721 1.00 0.00 H new ATOM 235 N GLU A 20 -5.118 -6.975 -4.952 1.00 0.00 N ATOM 236 CA GLU A 20 -3.845 -6.886 -5.658 1.00 0.00 C ATOM 237 C GLU A 20 -2.794 -6.188 -4.799 1.00 0.00 C ATOM 238 O GLU A 20 -1.593 -6.375 -4.995 1.00 0.00 O ATOM 239 CB GLU A 20 -4.021 -6.135 -6.979 1.00 0.00 C ATOM 240 CG GLU A 20 -4.102 -4.626 -6.815 1.00 0.00 C ATOM 241 CD GLU A 20 -4.047 -3.892 -8.140 1.00 0.00 C ATOM 242 OE1 GLU A 20 -4.808 -4.265 -9.057 1.00 0.00 O ATOM 243 OE2 GLU A 20 -3.243 -2.944 -8.261 1.00 0.00 O ATOM 0 H GLU A 20 -5.919 -6.629 -5.480 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.503 -7.900 -5.867 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.187 -6.376 -7.638 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.928 -6.488 -7.470 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.028 -4.369 -6.300 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.281 -4.288 -6.182 1.00 0.00 H new ATOM 250 N HIS A 21 -3.256 -5.383 -3.847 1.00 0.00 N ATOM 251 CA HIS A 21 -2.356 -4.657 -2.958 1.00 0.00 C ATOM 252 C HIS A 21 -1.677 -5.608 -1.977 1.00 0.00 C ATOM 253 O HIS A 21 -0.450 -5.696 -1.932 1.00 0.00 O ATOM 254 CB HIS A 21 -3.123 -3.578 -2.192 1.00 0.00 C ATOM 255 CG HIS A 21 -3.858 -2.622 -3.080 1.00 0.00 C ATOM 256 ND1 HIS A 21 -5.234 -2.569 -3.155 1.00 0.00 N ATOM 257 CD2 HIS A 21 -3.400 -1.675 -3.933 1.00 0.00 C ATOM 258 CE1 HIS A 21 -5.591 -1.633 -4.016 1.00 0.00 C ATOM 259 NE2 HIS A 21 -4.496 -1.075 -4.502 1.00 0.00 N ATOM 0 H HIS A 21 -4.247 -5.217 -3.672 1.00 0.00 H new ATOM 0 HA HIS A 21 -1.587 -4.183 -3.568 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -3.835 -4.057 -1.520 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -2.424 -3.019 -1.570 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.365 -1.436 -4.129 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -6.605 -1.369 -4.278 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.469 -0.321 -5.188 1.00 0.00 H new ATOM 267 N TYR A 22 -2.482 -6.316 -1.193 1.00 0.00 N ATOM 268 CA TYR A 22 -1.959 -7.258 -0.211 1.00 0.00 C ATOM 269 C TYR A 22 -2.877 -8.469 -0.075 1.00 0.00 C ATOM 270 O TYR A 22 -4.071 -8.393 -0.364 1.00 0.00 O ATOM 271 CB TYR A 22 -1.795 -6.573 1.147 1.00 0.00 C ATOM 272 CG TYR A 22 -1.144 -5.211 1.063 1.00 0.00 C ATOM 273 CD1 TYR A 22 0.236 -5.083 0.959 1.00 0.00 C ATOM 274 CD2 TYR A 22 -1.909 -4.051 1.086 1.00 0.00 C ATOM 275 CE1 TYR A 22 0.835 -3.841 0.883 1.00 0.00 C ATOM 276 CE2 TYR A 22 -1.319 -2.804 1.009 1.00 0.00 C ATOM 277 CZ TYR A 22 0.053 -2.705 0.908 1.00 0.00 C ATOM 278 OH TYR A 22 0.646 -1.465 0.831 1.00 0.00 O ATOM 0 H TYR A 22 -3.500 -6.255 -1.218 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.984 -7.601 -0.557 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.775 -6.470 1.613 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.198 -7.212 1.797 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.851 -5.971 0.937 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.983 -4.126 1.165 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.909 -3.760 0.804 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.928 -1.912 1.028 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.044 -0.770 0.860 1.00 0.00 H new ATOM 288 N ASP A 23 -2.310 -9.586 0.369 1.00 0.00 N ATOM 289 CA ASP A 23 -3.076 -10.814 0.546 1.00 0.00 C ATOM 290 C ASP A 23 -3.503 -10.982 2.001 1.00 0.00 C ATOM 291 O ASP A 23 -2.772 -11.550 2.812 1.00 0.00 O ATOM 292 CB ASP A 23 -2.251 -12.023 0.101 1.00 0.00 C ATOM 293 CG ASP A 23 -2.015 -12.043 -1.396 1.00 0.00 C ATOM 294 OD1 ASP A 23 -1.428 -11.071 -1.917 1.00 0.00 O ATOM 295 OD2 ASP A 23 -2.415 -13.030 -2.047 1.00 0.00 O ATOM 0 H ASP A 23 -1.323 -9.666 0.613 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.972 -10.748 -0.072 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.291 -12.014 0.617 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.764 -12.938 0.397 1.00 0.00 H new ATOM 300 N ARG A 24 -4.692 -10.484 2.324 1.00 0.00 N ATOM 301 CA ARG A 24 -5.217 -10.577 3.681 1.00 0.00 C ATOM 302 C ARG A 24 -6.637 -11.134 3.678 1.00 0.00 C ATOM 303 O ARG A 24 -7.339 -11.066 2.670 1.00 0.00 O ATOM 304 CB ARG A 24 -5.197 -9.203 4.353 1.00 0.00 C ATOM 305 CG ARG A 24 -5.574 -8.063 3.421 1.00 0.00 C ATOM 306 CD ARG A 24 -6.205 -6.907 4.180 1.00 0.00 C ATOM 307 NE ARG A 24 -5.244 -6.233 5.049 1.00 0.00 N ATOM 308 CZ ARG A 24 -5.464 -5.048 5.608 1.00 0.00 C ATOM 309 NH1 ARG A 24 -6.606 -4.410 5.390 1.00 0.00 N ATOM 310 NH2 ARG A 24 -4.541 -4.499 6.386 1.00 0.00 N ATOM 0 H ARG A 24 -5.310 -10.012 1.664 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.580 -11.259 4.245 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.884 -9.212 5.199 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.200 -9.019 4.754 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.686 -7.713 2.896 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.270 -8.425 2.664 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.617 -6.190 3.470 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.037 -7.278 4.779 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.356 -6.697 5.237 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.318 -4.829 4.792 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.772 -3.500 5.820 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.661 -4.987 6.556 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.711 -3.589 6.815 1.00 0.00 H new ATOM 324 N ALA A 25 -7.054 -11.684 4.814 1.00 0.00 N ATOM 325 CA ALA A 25 -8.390 -12.251 4.943 1.00 0.00 C ATOM 326 C ALA A 25 -9.205 -11.504 5.993 1.00 0.00 C ATOM 327 O ALA A 25 -10.028 -12.097 6.692 1.00 0.00 O ATOM 328 CB ALA A 25 -8.305 -13.730 5.293 1.00 0.00 C ATOM 0 H ALA A 25 -6.485 -11.749 5.658 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.896 -12.144 3.984 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.311 -14.140 5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.768 -14.260 4.506 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.775 -13.850 6.238 1.00 0.00 H new ATOM 334 N CYS A 26 -8.971 -10.200 6.098 1.00 0.00 N ATOM 335 CA CYS A 26 -9.683 -9.372 7.065 1.00 0.00 C ATOM 336 C CYS A 26 -9.704 -7.913 6.619 1.00 0.00 C ATOM 337 O CYS A 26 -8.672 -7.350 6.251 1.00 0.00 O ATOM 338 CB CYS A 26 -9.032 -9.487 8.444 1.00 0.00 C ATOM 339 SG CYS A 26 -7.411 -8.696 8.564 1.00 0.00 S ATOM 0 H CYS A 26 -8.295 -9.694 5.526 1.00 0.00 H new ATOM 0 HA CYS A 26 -10.711 -9.730 7.126 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -9.696 -9.043 9.186 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -8.929 -10.542 8.698 1.00 0.00 H new ATOM 0 HG CYS A 26 -7.293 -7.804 7.626 1.00 0.00 H new ATOM 345 N LEU A 27 -10.885 -7.306 6.654 1.00 0.00 N ATOM 346 CA LEU A 27 -11.041 -5.913 6.252 1.00 0.00 C ATOM 347 C LEU A 27 -10.719 -4.973 7.410 1.00 0.00 C ATOM 348 O LEU A 27 -11.056 -5.251 8.561 1.00 0.00 O ATOM 349 CB LEU A 27 -12.466 -5.661 5.757 1.00 0.00 C ATOM 350 CG LEU A 27 -12.691 -5.816 4.252 1.00 0.00 C ATOM 351 CD1 LEU A 27 -12.117 -7.135 3.760 1.00 0.00 C ATOM 352 CD2 LEU A 27 -14.173 -5.721 3.922 1.00 0.00 C ATOM 0 H LEU A 27 -11.748 -7.757 6.957 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.341 -5.714 5.441 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.136 -6.346 6.277 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.756 -4.651 6.045 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.173 -5.005 3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.286 -7.228 2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.046 -7.164 3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.606 -7.960 4.277 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.314 -5.833 2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.713 -6.511 4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.555 -4.750 4.239 1.00 0.00 H new ATOM 364 N LEU A 28 -10.068 -3.858 7.096 1.00 0.00 N ATOM 365 CA LEU A 28 -9.702 -2.875 8.110 1.00 0.00 C ATOM 366 C LEU A 28 -10.793 -1.819 8.263 1.00 0.00 C ATOM 367 O LEU A 28 -11.113 -1.100 7.316 1.00 0.00 O ATOM 368 CB LEU A 28 -8.376 -2.206 7.745 1.00 0.00 C ATOM 369 CG LEU A 28 -8.422 -1.216 6.581 1.00 0.00 C ATOM 370 CD1 LEU A 28 -8.844 0.162 7.068 1.00 0.00 C ATOM 371 CD2 LEU A 28 -7.070 -1.147 5.886 1.00 0.00 C ATOM 0 H LEU A 28 -9.783 -3.612 6.148 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.589 -3.395 9.061 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.001 -1.684 8.625 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.653 -2.985 7.505 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.161 -1.566 5.861 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.871 0.853 6.226 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.834 0.101 7.519 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.129 0.521 7.809 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.121 -0.438 5.060 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.311 -0.821 6.598 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.808 -2.133 5.502 1.00 0.00 H new ATOM 383 N LYS A 29 -11.359 -1.730 9.462 1.00 0.00 N ATOM 384 CA LYS A 29 -12.411 -0.760 9.741 1.00 0.00 C ATOM 385 C LYS A 29 -11.950 0.655 9.406 1.00 0.00 C ATOM 386 O LYS A 29 -10.785 1.000 9.601 1.00 0.00 O ATOM 387 CB LYS A 29 -12.827 -0.837 11.212 1.00 0.00 C ATOM 388 CG LYS A 29 -14.095 -0.062 11.527 1.00 0.00 C ATOM 389 CD LYS A 29 -15.334 -0.923 11.344 1.00 0.00 C ATOM 390 CE LYS A 29 -16.586 -0.072 11.192 1.00 0.00 C ATOM 391 NZ LYS A 29 -17.160 0.311 12.511 1.00 0.00 N ATOM 0 H LYS A 29 -11.107 -2.318 10.256 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.269 -1.002 9.114 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.973 -1.882 11.485 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.015 -0.456 11.831 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.053 0.304 12.553 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.159 0.812 10.879 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -15.213 -1.555 10.464 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.446 -1.588 12.200 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -16.347 0.828 10.625 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -17.331 -0.622 10.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.780 1.138 12.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -17.712 -0.483 12.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.390 0.547 13.169 1.00 0.00 H new ATOM 405 N ALA A 30 -12.871 1.469 8.902 1.00 0.00 N ATOM 406 CA ALA A 30 -12.559 2.847 8.543 1.00 0.00 C ATOM 407 C ALA A 30 -13.173 3.826 9.539 1.00 0.00 C ATOM 408 O ALA A 30 -14.359 4.152 9.475 1.00 0.00 O ATOM 409 CB ALA A 30 -13.047 3.149 7.134 1.00 0.00 C ATOM 0 H ALA A 30 -13.840 1.198 8.733 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.476 2.968 8.574 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.807 4.181 6.879 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.558 2.478 6.428 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -14.126 3.004 7.084 1.00 0.00 H new ATOM 415 N PRO A 31 -12.349 4.306 10.482 1.00 0.00 N ATOM 416 CA PRO A 31 -12.789 5.255 11.509 1.00 0.00 C ATOM 417 C PRO A 31 -13.093 6.634 10.933 1.00 0.00 C ATOM 418 O PRO A 31 -13.411 7.569 11.669 1.00 0.00 O ATOM 419 CB PRO A 31 -11.594 5.325 12.463 1.00 0.00 C ATOM 420 CG PRO A 31 -10.419 4.957 11.625 1.00 0.00 C ATOM 421 CD PRO A 31 -10.924 3.961 10.617 1.00 0.00 C ATOM 0 HA PRO A 31 -13.715 4.937 11.987 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -11.482 6.324 12.885 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -11.715 4.637 13.300 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.002 5.835 11.131 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.625 4.527 12.235 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.397 4.049 9.667 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -10.790 2.936 10.963 1.00 0.00 H new ATOM 429 N CYS A 32 -12.995 6.753 9.613 1.00 0.00 N ATOM 430 CA CYS A 32 -13.259 8.018 8.938 1.00 0.00 C ATOM 431 C CYS A 32 -14.709 8.092 8.471 1.00 0.00 C ATOM 432 O CYS A 32 -15.357 9.134 8.582 1.00 0.00 O ATOM 433 CB CYS A 32 -12.317 8.189 7.744 1.00 0.00 C ATOM 434 SG CYS A 32 -12.172 6.707 6.694 1.00 0.00 S ATOM 0 H CYS A 32 -12.735 5.989 8.990 1.00 0.00 H new ATOM 0 HA CYS A 32 -13.083 8.825 9.649 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -12.669 9.021 7.134 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -11.327 8.459 8.111 1.00 0.00 H new ATOM 439 N CYS A 33 -15.214 6.980 7.947 1.00 0.00 N ATOM 440 CA CYS A 33 -16.588 6.917 7.462 1.00 0.00 C ATOM 441 C CYS A 33 -17.317 5.713 8.050 1.00 0.00 C ATOM 442 O CYS A 33 -18.451 5.417 7.673 1.00 0.00 O ATOM 443 CB CYS A 33 -16.608 6.845 5.934 1.00 0.00 C ATOM 444 SG CYS A 33 -15.455 5.623 5.232 1.00 0.00 S ATOM 0 H CYS A 33 -14.692 6.109 7.847 1.00 0.00 H new ATOM 0 HA CYS A 33 -17.103 7.823 7.783 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -17.619 6.605 5.606 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -16.367 7.829 5.531 1.00 0.00 H new ATOM 449 N ASP A 34 -16.659 5.022 8.974 1.00 0.00 N ATOM 450 CA ASP A 34 -17.244 3.850 9.614 1.00 0.00 C ATOM 451 C ASP A 34 -17.529 2.756 8.590 1.00 0.00 C ATOM 452 O ASP A 34 -18.470 1.977 8.743 1.00 0.00 O ATOM 453 CB ASP A 34 -18.534 4.232 10.343 1.00 0.00 C ATOM 454 CG ASP A 34 -19.234 3.031 10.949 1.00 0.00 C ATOM 455 OD1 ASP A 34 -18.806 2.579 12.031 1.00 0.00 O ATOM 456 OD2 ASP A 34 -20.209 2.543 10.340 1.00 0.00 O ATOM 0 H ASP A 34 -15.719 5.253 9.297 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.526 3.466 10.338 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -18.304 4.950 11.130 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -19.209 4.728 9.646 1.00 0.00 H new ATOM 461 N LYS A 35 -16.710 2.704 7.545 1.00 0.00 N ATOM 462 CA LYS A 35 -16.872 1.705 6.495 1.00 0.00 C ATOM 463 C LYS A 35 -15.764 0.659 6.563 1.00 0.00 C ATOM 464 O LYS A 35 -14.795 0.813 7.308 1.00 0.00 O ATOM 465 CB LYS A 35 -16.869 2.377 5.120 1.00 0.00 C ATOM 466 CG LYS A 35 -18.157 3.116 4.801 1.00 0.00 C ATOM 467 CD LYS A 35 -18.177 3.608 3.364 1.00 0.00 C ATOM 468 CE LYS A 35 -19.459 4.365 3.051 1.00 0.00 C ATOM 469 NZ LYS A 35 -20.582 3.444 2.723 1.00 0.00 N ATOM 0 H LYS A 35 -15.927 3.342 7.403 1.00 0.00 H new ATOM 0 HA LYS A 35 -17.829 1.205 6.648 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -16.036 3.078 5.069 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -16.696 1.620 4.355 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -19.008 2.457 4.972 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -18.269 3.963 5.478 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -17.318 4.256 3.188 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -18.080 2.760 2.687 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -19.734 4.982 3.906 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -19.287 5.040 2.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -21.437 3.999 2.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -20.331 2.872 1.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -20.764 2.817 3.532 1.00 0.00 H new ATOM 483 N LEU A 36 -15.913 -0.405 5.782 1.00 0.00 N ATOM 484 CA LEU A 36 -14.925 -1.477 5.753 1.00 0.00 C ATOM 485 C LEU A 36 -14.508 -1.795 4.320 1.00 0.00 C ATOM 486 O LEU A 36 -15.348 -2.096 3.471 1.00 0.00 O ATOM 487 CB LEU A 36 -15.484 -2.733 6.424 1.00 0.00 C ATOM 488 CG LEU A 36 -15.369 -2.787 7.948 1.00 0.00 C ATOM 489 CD1 LEU A 36 -16.452 -3.680 8.533 1.00 0.00 C ATOM 490 CD2 LEU A 36 -13.990 -3.279 8.361 1.00 0.00 C ATOM 0 H LEU A 36 -16.709 -0.548 5.160 1.00 0.00 H new ATOM 0 HA LEU A 36 -14.045 -1.141 6.302 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -16.536 -2.827 6.155 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -14.971 -3.601 6.010 1.00 0.00 H new ATOM 0 HG LEU A 36 -15.506 -1.779 8.340 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -16.355 -3.707 9.618 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -17.432 -3.285 8.266 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -16.346 -4.689 8.134 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -13.926 -3.311 9.449 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -13.824 -4.278 7.958 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.230 -2.601 7.973 1.00 0.00 H new ATOM 502 N TYR A 37 -13.208 -1.729 4.059 1.00 0.00 N ATOM 503 CA TYR A 37 -12.680 -2.009 2.729 1.00 0.00 C ATOM 504 C TYR A 37 -11.507 -2.982 2.803 1.00 0.00 C ATOM 505 O TYR A 37 -10.728 -2.964 3.757 1.00 0.00 O ATOM 506 CB TYR A 37 -12.240 -0.712 2.048 1.00 0.00 C ATOM 507 CG TYR A 37 -13.392 0.140 1.566 1.00 0.00 C ATOM 508 CD1 TYR A 37 -14.097 0.952 2.446 1.00 0.00 C ATOM 509 CD2 TYR A 37 -13.776 0.133 0.231 1.00 0.00 C ATOM 510 CE1 TYR A 37 -15.151 1.731 2.010 1.00 0.00 C ATOM 511 CE2 TYR A 37 -14.827 0.910 -0.214 1.00 0.00 C ATOM 512 CZ TYR A 37 -15.512 1.707 0.679 1.00 0.00 C ATOM 513 OH TYR A 37 -16.560 2.483 0.241 1.00 0.00 O ATOM 0 H TYR A 37 -12.500 -1.484 4.751 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.474 -2.469 2.140 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -11.637 -0.131 2.746 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -11.600 -0.956 1.200 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -13.816 0.974 3.489 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -13.243 -0.491 -0.471 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -15.690 2.355 2.707 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -15.111 0.894 -1.256 1.00 0.00 H new ATOM 0 HH TYR A 37 -16.684 2.352 -0.722 1.00 0.00 H new ATOM 523 N THR A 38 -11.385 -3.831 1.787 1.00 0.00 N ATOM 524 CA THR A 38 -10.308 -4.811 1.735 1.00 0.00 C ATOM 525 C THR A 38 -9.053 -4.286 2.422 1.00 0.00 C ATOM 526 O THR A 38 -8.612 -4.833 3.434 1.00 0.00 O ATOM 527 CB THR A 38 -9.964 -5.191 0.282 1.00 0.00 C ATOM 528 OG1 THR A 38 -11.162 -5.488 -0.444 1.00 0.00 O ATOM 529 CG2 THR A 38 -9.030 -6.391 0.243 1.00 0.00 C ATOM 0 H THR A 38 -12.019 -3.859 0.989 1.00 0.00 H new ATOM 0 HA THR A 38 -10.662 -5.698 2.261 1.00 0.00 H new ATOM 0 HB THR A 38 -9.460 -4.343 -0.182 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.935 -5.727 -1.367 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.801 -6.641 -0.793 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.107 -6.151 0.771 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.512 -7.243 0.724 1.00 0.00 H new ATOM 537 N CYS A 39 -8.481 -3.223 1.867 1.00 0.00 N ATOM 538 CA CYS A 39 -7.276 -2.623 2.427 1.00 0.00 C ATOM 539 C CYS A 39 -7.406 -1.105 2.497 1.00 0.00 C ATOM 540 O CYS A 39 -8.452 -0.545 2.167 1.00 0.00 O ATOM 541 CB CYS A 39 -6.055 -3.003 1.587 1.00 0.00 C ATOM 542 SG CYS A 39 -5.875 -2.033 0.055 1.00 0.00 S ATOM 0 H CYS A 39 -8.833 -2.759 1.029 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.146 -3.006 3.439 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.157 -2.876 2.192 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.119 -4.060 1.330 1.00 0.00 H new ATOM 547 N ARG A 40 -6.337 -0.444 2.929 1.00 0.00 N ATOM 548 CA ARG A 40 -6.332 1.009 3.044 1.00 0.00 C ATOM 549 C ARG A 40 -6.317 1.664 1.666 1.00 0.00 C ATOM 550 O ARG A 40 -6.948 2.700 1.452 1.00 0.00 O ATOM 551 CB ARG A 40 -5.119 1.474 3.853 1.00 0.00 C ATOM 552 CG ARG A 40 -3.809 1.393 3.088 1.00 0.00 C ATOM 553 CD ARG A 40 -3.532 2.677 2.320 1.00 0.00 C ATOM 554 NE ARG A 40 -2.177 2.709 1.778 1.00 0.00 N ATOM 555 CZ ARG A 40 -1.572 3.821 1.376 1.00 0.00 C ATOM 556 NH1 ARG A 40 -2.199 4.986 1.456 1.00 0.00 N ATOM 557 NH2 ARG A 40 -0.337 3.769 0.894 1.00 0.00 N ATOM 0 H ARG A 40 -5.463 -0.892 3.205 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.243 1.310 3.561 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.280 2.503 4.173 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.041 0.868 4.755 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.992 1.200 3.783 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.843 0.553 2.394 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.250 2.775 1.506 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.679 3.533 2.979 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.667 1.829 1.704 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.148 5.030 1.827 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.732 5.839 1.147 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.149 2.874 0.832 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.126 4.624 0.586 1.00 0.00 H new ATOM 571 N LEU A 41 -5.594 1.052 0.734 1.00 0.00 N ATOM 572 CA LEU A 41 -5.497 1.575 -0.625 1.00 0.00 C ATOM 573 C LEU A 41 -6.829 1.442 -1.356 1.00 0.00 C ATOM 574 O LEU A 41 -7.106 2.178 -2.304 1.00 0.00 O ATOM 575 CB LEU A 41 -4.402 0.838 -1.398 1.00 0.00 C ATOM 576 CG LEU A 41 -2.978 1.005 -0.868 1.00 0.00 C ATOM 577 CD1 LEU A 41 -2.110 -0.169 -1.293 1.00 0.00 C ATOM 578 CD2 LEU A 41 -2.378 2.317 -1.353 1.00 0.00 C ATOM 0 H LEU A 41 -5.067 0.194 0.894 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.242 2.633 -0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.643 -0.225 -1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.425 1.177 -2.434 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.017 1.027 0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.100 -0.033 -0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.529 -1.094 -0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.078 -0.223 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.364 2.419 -0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.353 2.325 -2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.987 3.149 -0.998 1.00 0.00 H new ATOM 590 N CYS A 42 -7.653 0.501 -0.908 1.00 0.00 N ATOM 591 CA CYS A 42 -8.958 0.272 -1.517 1.00 0.00 C ATOM 592 C CYS A 42 -9.945 1.364 -1.115 1.00 0.00 C ATOM 593 O CYS A 42 -10.651 1.918 -1.958 1.00 0.00 O ATOM 594 CB CYS A 42 -9.502 -1.098 -1.108 1.00 0.00 C ATOM 595 SG CYS A 42 -8.776 -2.492 -2.031 1.00 0.00 S ATOM 0 H CYS A 42 -7.440 -0.116 -0.124 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.835 0.298 -2.600 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -9.320 -1.247 -0.044 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -10.583 -1.105 -1.250 1.00 0.00 H new ATOM 600 N HIS A 43 -9.988 1.668 0.178 1.00 0.00 N ATOM 601 CA HIS A 43 -10.888 2.694 0.693 1.00 0.00 C ATOM 602 C HIS A 43 -10.803 3.963 -0.150 1.00 0.00 C ATOM 603 O HIS A 43 -11.777 4.363 -0.787 1.00 0.00 O ATOM 604 CB HIS A 43 -10.553 3.012 2.150 1.00 0.00 C ATOM 605 CG HIS A 43 -11.228 4.246 2.665 1.00 0.00 C ATOM 606 ND1 HIS A 43 -10.656 5.499 2.602 1.00 0.00 N ATOM 607 CD2 HIS A 43 -12.436 4.415 3.252 1.00 0.00 C ATOM 608 CE1 HIS A 43 -11.481 6.385 3.130 1.00 0.00 C ATOM 609 NE2 HIS A 43 -12.569 5.752 3.532 1.00 0.00 N ATOM 0 H HIS A 43 -9.410 1.219 0.888 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.907 2.310 0.638 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -10.839 2.165 2.773 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.474 3.130 2.249 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -9.739 5.709 2.209 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -13.160 3.642 3.461 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -11.298 7.446 3.218 1.00 0.00 H new ATOM 617 N ASP A 44 -9.632 4.592 -0.147 1.00 0.00 N ATOM 618 CA ASP A 44 -9.420 5.816 -0.911 1.00 0.00 C ATOM 619 C ASP A 44 -9.854 5.632 -2.362 1.00 0.00 C ATOM 620 O ASP A 44 -10.472 6.518 -2.953 1.00 0.00 O ATOM 621 CB ASP A 44 -7.948 6.229 -0.854 1.00 0.00 C ATOM 622 CG ASP A 44 -7.533 7.060 -2.052 1.00 0.00 C ATOM 623 OD1 ASP A 44 -7.553 6.525 -3.181 1.00 0.00 O ATOM 624 OD2 ASP A 44 -7.190 8.245 -1.861 1.00 0.00 O ATOM 0 H ASP A 44 -8.816 4.274 0.376 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.028 6.604 -0.466 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.768 6.797 0.059 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.325 5.336 -0.801 1.00 0.00 H new ATOM 629 N THR A 45 -9.524 4.477 -2.932 1.00 0.00 N ATOM 630 CA THR A 45 -9.877 4.179 -4.314 1.00 0.00 C ATOM 631 C THR A 45 -11.383 4.273 -4.529 1.00 0.00 C ATOM 632 O THR A 45 -11.843 4.748 -5.567 1.00 0.00 O ATOM 633 CB THR A 45 -9.399 2.773 -4.725 1.00 0.00 C ATOM 634 OG1 THR A 45 -7.973 2.693 -4.626 1.00 0.00 O ATOM 635 CG2 THR A 45 -9.833 2.448 -6.146 1.00 0.00 C ATOM 0 H THR A 45 -9.013 3.733 -2.457 1.00 0.00 H new ATOM 0 HA THR A 45 -9.376 4.922 -4.935 1.00 0.00 H new ATOM 0 HB THR A 45 -9.851 2.047 -4.049 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.729 2.168 -3.835 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.484 1.451 -6.414 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.921 2.482 -6.211 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.406 3.178 -6.833 1.00 0.00 H new ATOM 643 N ASN A 46 -12.147 3.819 -3.541 1.00 0.00 N ATOM 644 CA ASN A 46 -13.603 3.854 -3.623 1.00 0.00 C ATOM 645 C ASN A 46 -14.175 4.927 -2.702 1.00 0.00 C ATOM 646 O ASN A 46 -15.313 4.824 -2.245 1.00 0.00 O ATOM 647 CB ASN A 46 -14.188 2.488 -3.257 1.00 0.00 C ATOM 648 CG ASN A 46 -13.586 1.363 -4.077 1.00 0.00 C ATOM 649 OD1 ASN A 46 -14.004 1.112 -5.208 1.00 0.00 O ATOM 650 ND2 ASN A 46 -12.599 0.680 -3.510 1.00 0.00 N ATOM 0 H ASN A 46 -11.783 3.423 -2.675 1.00 0.00 H new ATOM 0 HA ASN A 46 -13.878 4.097 -4.649 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -14.017 2.294 -2.198 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -15.267 2.506 -3.407 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.155 -0.088 -4.014 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.285 0.923 -2.570 1.00 0.00 H new ATOM 657 N GLU A 47 -13.377 5.956 -2.435 1.00 0.00 N ATOM 658 CA GLU A 47 -13.804 7.049 -1.569 1.00 0.00 C ATOM 659 C GLU A 47 -13.184 8.370 -2.013 1.00 0.00 C ATOM 660 O GLU A 47 -12.114 8.392 -2.622 1.00 0.00 O ATOM 661 CB GLU A 47 -13.423 6.756 -0.116 1.00 0.00 C ATOM 662 CG GLU A 47 -14.111 5.529 0.459 1.00 0.00 C ATOM 663 CD GLU A 47 -15.559 5.791 0.824 1.00 0.00 C ATOM 664 OE1 GLU A 47 -16.337 6.180 -0.072 1.00 0.00 O ATOM 665 OE2 GLU A 47 -15.915 5.606 2.007 1.00 0.00 O ATOM 0 H GLU A 47 -12.432 6.056 -2.806 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.888 7.135 -1.643 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.343 6.620 -0.053 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.671 7.622 0.497 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.064 4.717 -0.267 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.571 5.196 1.345 1.00 0.00 H new ATOM 672 N ASP A 48 -13.863 9.469 -1.704 1.00 0.00 N ATOM 673 CA ASP A 48 -13.380 10.795 -2.070 1.00 0.00 C ATOM 674 C ASP A 48 -12.318 11.277 -1.086 1.00 0.00 C ATOM 675 O ASP A 48 -11.551 12.194 -1.384 1.00 0.00 O ATOM 676 CB ASP A 48 -14.540 11.790 -2.115 1.00 0.00 C ATOM 677 CG ASP A 48 -15.700 11.289 -2.952 1.00 0.00 C ATOM 678 OD1 ASP A 48 -15.449 10.606 -3.967 1.00 0.00 O ATOM 679 OD2 ASP A 48 -16.860 11.579 -2.592 1.00 0.00 O ATOM 0 H ASP A 48 -14.750 9.468 -1.201 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.930 10.730 -3.060 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -14.886 11.986 -1.100 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -14.186 12.738 -2.520 1.00 0.00 H new ATOM 684 N HIS A 49 -12.279 10.654 0.087 1.00 0.00 N ATOM 685 CA HIS A 49 -11.312 11.020 1.116 1.00 0.00 C ATOM 686 C HIS A 49 -10.303 9.897 1.337 1.00 0.00 C ATOM 687 O HIS A 49 -10.528 8.759 0.924 1.00 0.00 O ATOM 688 CB HIS A 49 -12.028 11.344 2.427 1.00 0.00 C ATOM 689 CG HIS A 49 -12.830 10.202 2.970 1.00 0.00 C ATOM 690 ND1 HIS A 49 -13.919 9.669 2.313 1.00 0.00 N ATOM 691 CD2 HIS A 49 -12.697 9.490 4.113 1.00 0.00 C ATOM 692 CE1 HIS A 49 -14.421 8.679 3.030 1.00 0.00 C ATOM 693 NE2 HIS A 49 -13.697 8.550 4.127 1.00 0.00 N ATOM 0 H HIS A 49 -12.906 9.893 0.349 1.00 0.00 H new ATOM 0 HA HIS A 49 -10.775 11.906 0.776 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -11.289 11.644 3.170 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -12.687 12.198 2.270 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -14.280 9.989 1.414 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -11.944 9.635 4.873 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -15.278 8.078 2.764 1.00 0.00 H new ATOM 701 N GLN A 50 -9.193 10.224 1.991 1.00 0.00 N ATOM 702 CA GLN A 50 -8.151 9.243 2.265 1.00 0.00 C ATOM 703 C GLN A 50 -8.292 8.678 3.675 1.00 0.00 C ATOM 704 O GLN A 50 -8.659 9.394 4.608 1.00 0.00 O ATOM 705 CB GLN A 50 -6.768 9.874 2.092 1.00 0.00 C ATOM 706 CG GLN A 50 -6.329 9.987 0.641 1.00 0.00 C ATOM 707 CD GLN A 50 -6.908 11.205 -0.052 1.00 0.00 C ATOM 708 OE1 GLN A 50 -6.325 12.289 -0.017 1.00 0.00 O ATOM 709 NE2 GLN A 50 -8.062 11.033 -0.686 1.00 0.00 N ATOM 0 H GLN A 50 -8.993 11.161 2.341 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.261 8.425 1.553 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.772 10.868 2.540 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.036 9.281 2.639 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.241 10.032 0.597 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.633 9.089 0.103 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.510 10.117 -0.689 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.500 11.817 -1.170 1.00 0.00 H new ATOM 718 N LEU A 51 -7.999 7.391 3.824 1.00 0.00 N ATOM 719 CA LEU A 51 -8.094 6.730 5.120 1.00 0.00 C ATOM 720 C LEU A 51 -6.708 6.473 5.703 1.00 0.00 C ATOM 721 O LEU A 51 -5.737 6.298 4.967 1.00 0.00 O ATOM 722 CB LEU A 51 -8.856 5.410 4.988 1.00 0.00 C ATOM 723 CG LEU A 51 -8.532 4.340 6.031 1.00 0.00 C ATOM 724 CD1 LEU A 51 -9.754 3.479 6.310 1.00 0.00 C ATOM 725 CD2 LEU A 51 -7.365 3.480 5.568 1.00 0.00 C ATOM 0 H LEU A 51 -7.694 6.785 3.063 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.637 7.390 5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.924 5.624 5.036 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.658 4.997 3.999 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.245 4.838 6.957 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.504 2.723 7.055 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.563 4.106 6.686 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.072 2.990 5.389 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.148 2.724 6.323 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.623 2.991 4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.486 4.108 5.421 1.00 0.00 H new ATOM 737 N ASP A 52 -6.624 6.451 7.029 1.00 0.00 N ATOM 738 CA ASP A 52 -5.357 6.212 7.711 1.00 0.00 C ATOM 739 C ASP A 52 -5.132 4.720 7.932 1.00 0.00 C ATOM 740 O ASP A 52 -6.079 3.965 8.154 1.00 0.00 O ATOM 741 CB ASP A 52 -5.328 6.949 9.051 1.00 0.00 C ATOM 742 CG ASP A 52 -4.808 8.367 8.921 1.00 0.00 C ATOM 743 OD1 ASP A 52 -5.610 9.264 8.586 1.00 0.00 O ATOM 744 OD2 ASP A 52 -3.600 8.580 9.153 1.00 0.00 O ATOM 0 H ASP A 52 -7.418 6.596 7.653 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.555 6.592 7.079 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.333 6.971 9.472 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.701 6.398 9.752 1.00 0.00 H new ATOM 749 N ARG A 53 -3.872 4.301 7.868 1.00 0.00 N ATOM 750 CA ARG A 53 -3.522 2.899 8.059 1.00 0.00 C ATOM 751 C ARG A 53 -3.018 2.652 9.478 1.00 0.00 C ATOM 752 O ARG A 53 -2.899 1.508 9.916 1.00 0.00 O ATOM 753 CB ARG A 53 -2.457 2.474 7.046 1.00 0.00 C ATOM 754 CG ARG A 53 -1.157 3.253 7.167 1.00 0.00 C ATOM 755 CD ARG A 53 0.034 2.422 6.716 1.00 0.00 C ATOM 756 NE ARG A 53 0.275 2.547 5.281 1.00 0.00 N ATOM 757 CZ ARG A 53 1.048 1.715 4.591 1.00 0.00 C ATOM 758 NH1 ARG A 53 1.650 0.704 5.201 1.00 0.00 N ATOM 759 NH2 ARG A 53 1.219 1.894 3.287 1.00 0.00 N ATOM 0 H ARG A 53 -3.077 4.913 7.685 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.421 2.302 7.903 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.248 1.412 7.175 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.854 2.601 6.039 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.218 4.160 6.566 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.013 3.565 8.201 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.923 2.737 7.262 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.139 1.375 6.965 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.174 3.314 4.781 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.521 0.563 6.203 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.243 0.067 4.669 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.757 2.671 2.814 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.812 1.255 2.758 1.00 0.00 H new ATOM 773 N PHE A 54 -2.722 3.734 10.191 1.00 0.00 N ATOM 774 CA PHE A 54 -2.228 3.635 11.560 1.00 0.00 C ATOM 775 C PHE A 54 -3.353 3.875 12.562 1.00 0.00 C ATOM 776 O PHE A 54 -3.442 3.199 13.587 1.00 0.00 O ATOM 777 CB PHE A 54 -1.100 4.642 11.791 1.00 0.00 C ATOM 778 CG PHE A 54 0.119 4.380 10.955 1.00 0.00 C ATOM 779 CD1 PHE A 54 1.069 3.457 11.361 1.00 0.00 C ATOM 780 CD2 PHE A 54 0.316 5.056 9.762 1.00 0.00 C ATOM 781 CE1 PHE A 54 2.192 3.214 10.594 1.00 0.00 C ATOM 782 CE2 PHE A 54 1.437 4.817 8.989 1.00 0.00 C ATOM 783 CZ PHE A 54 2.376 3.894 9.406 1.00 0.00 C ATOM 0 H PHE A 54 -2.815 4.689 9.844 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.842 2.627 11.709 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.469 5.645 11.576 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.819 4.625 12.844 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.930 2.921 12.288 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.415 5.779 9.432 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.926 2.493 10.923 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.578 5.351 8.061 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.253 3.704 8.804 1.00 0.00 H new ATOM 793 N LYS A 55 -4.212 4.843 12.258 1.00 0.00 N ATOM 794 CA LYS A 55 -5.332 5.174 13.130 1.00 0.00 C ATOM 795 C LYS A 55 -6.117 3.921 13.506 1.00 0.00 C ATOM 796 O LYS A 55 -6.211 3.564 14.681 1.00 0.00 O ATOM 797 CB LYS A 55 -6.258 6.182 12.446 1.00 0.00 C ATOM 798 CG LYS A 55 -5.853 7.629 12.669 1.00 0.00 C ATOM 799 CD LYS A 55 -6.515 8.208 13.908 1.00 0.00 C ATOM 800 CE LYS A 55 -7.983 8.520 13.662 1.00 0.00 C ATOM 801 NZ LYS A 55 -8.157 9.717 12.793 1.00 0.00 N ATOM 0 H LYS A 55 -4.153 5.412 11.413 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.931 5.618 14.041 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.274 5.979 11.375 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.274 6.037 12.814 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.770 7.693 12.770 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.127 8.223 11.797 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.426 7.502 14.733 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.994 9.117 14.209 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.464 7.660 13.196 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.484 8.688 14.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.152 10.019 12.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.554 10.489 13.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.886 9.480 11.817 1.00 0.00 H new ATOM 815 N VAL A 56 -6.679 3.256 12.502 1.00 0.00 N ATOM 816 CA VAL A 56 -7.453 2.042 12.727 1.00 0.00 C ATOM 817 C VAL A 56 -6.636 1.001 13.485 1.00 0.00 C ATOM 818 O VAL A 56 -5.431 0.867 13.273 1.00 0.00 O ATOM 819 CB VAL A 56 -7.937 1.430 11.399 1.00 0.00 C ATOM 820 CG1 VAL A 56 -6.784 1.311 10.414 1.00 0.00 C ATOM 821 CG2 VAL A 56 -8.584 0.074 11.641 1.00 0.00 C ATOM 0 H VAL A 56 -6.612 3.538 11.524 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.319 2.326 13.325 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.687 2.093 10.966 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.145 0.877 9.482 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.370 2.300 10.217 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.009 0.671 10.836 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.920 -0.343 10.692 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -7.858 -0.599 12.097 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.438 0.192 12.308 1.00 0.00 H new ATOM 831 N LYS A 57 -7.301 0.266 14.370 1.00 0.00 N ATOM 832 CA LYS A 57 -6.638 -0.765 15.160 1.00 0.00 C ATOM 833 C LYS A 57 -7.388 -2.089 15.066 1.00 0.00 C ATOM 834 O LYS A 57 -6.777 -3.154 14.988 1.00 0.00 O ATOM 835 CB LYS A 57 -6.535 -0.328 16.623 1.00 0.00 C ATOM 836 CG LYS A 57 -5.532 -1.134 17.430 1.00 0.00 C ATOM 837 CD LYS A 57 -6.178 -2.356 18.062 1.00 0.00 C ATOM 838 CE LYS A 57 -6.925 -1.994 19.337 1.00 0.00 C ATOM 839 NZ LYS A 57 -5.999 -1.803 20.487 1.00 0.00 N ATOM 0 H LYS A 57 -8.299 0.365 14.558 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.635 -0.907 14.758 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.256 0.725 16.660 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -7.517 -0.414 17.089 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.712 -1.448 16.784 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.101 -0.505 18.209 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.868 -2.813 17.352 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.413 -3.099 18.286 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.497 -1.080 19.176 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.641 -2.781 19.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.551 -1.641 21.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.411 -2.653 20.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.388 -0.981 20.308 1.00 0.00 H new ATOM 853 N GLU A 58 -8.716 -2.014 15.072 1.00 0.00 N ATOM 854 CA GLU A 58 -9.548 -3.208 14.986 1.00 0.00 C ATOM 855 C GLU A 58 -9.555 -3.766 13.566 1.00 0.00 C ATOM 856 O GLU A 58 -9.062 -3.129 12.635 1.00 0.00 O ATOM 857 CB GLU A 58 -10.979 -2.892 15.429 1.00 0.00 C ATOM 858 CG GLU A 58 -11.136 -2.768 16.935 1.00 0.00 C ATOM 859 CD GLU A 58 -10.279 -3.761 17.695 1.00 0.00 C ATOM 860 OE1 GLU A 58 -9.107 -3.438 17.980 1.00 0.00 O ATOM 861 OE2 GLU A 58 -10.781 -4.862 18.005 1.00 0.00 O ATOM 0 H GLU A 58 -9.238 -1.140 15.135 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.127 -3.962 15.651 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.298 -1.961 14.961 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.644 -3.675 15.066 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.872 -1.756 17.242 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.182 -2.919 17.201 1.00 0.00 H new ATOM 868 N VAL A 59 -10.118 -4.959 13.408 1.00 0.00 N ATOM 869 CA VAL A 59 -10.190 -5.604 12.102 1.00 0.00 C ATOM 870 C VAL A 59 -11.316 -6.631 12.058 1.00 0.00 C ATOM 871 O VAL A 59 -11.668 -7.224 13.077 1.00 0.00 O ATOM 872 CB VAL A 59 -8.862 -6.297 11.744 1.00 0.00 C ATOM 873 CG1 VAL A 59 -7.759 -5.269 11.545 1.00 0.00 C ATOM 874 CG2 VAL A 59 -8.479 -7.301 12.821 1.00 0.00 C ATOM 0 H VAL A 59 -10.531 -5.499 14.168 1.00 0.00 H new ATOM 0 HA VAL A 59 -10.389 -4.820 11.372 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.995 -6.837 10.806 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.829 -5.778 11.293 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.034 -4.593 10.736 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.623 -4.699 12.464 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.538 -7.782 12.552 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.364 -6.786 13.775 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.260 -8.056 12.909 1.00 0.00 H new ATOM 884 N GLN A 60 -11.875 -6.837 10.870 1.00 0.00 N ATOM 885 CA GLN A 60 -12.961 -7.794 10.693 1.00 0.00 C ATOM 886 C GLN A 60 -12.538 -8.935 9.774 1.00 0.00 C ATOM 887 O GLN A 60 -11.822 -8.723 8.794 1.00 0.00 O ATOM 888 CB GLN A 60 -14.197 -7.095 10.123 1.00 0.00 C ATOM 889 CG GLN A 60 -15.432 -7.980 10.081 1.00 0.00 C ATOM 890 CD GLN A 60 -16.683 -7.219 9.691 1.00 0.00 C ATOM 891 OE1 GLN A 60 -16.867 -6.064 10.078 1.00 0.00 O ATOM 892 NE2 GLN A 60 -17.552 -7.862 8.921 1.00 0.00 N ATOM 0 H GLN A 60 -11.594 -6.355 10.016 1.00 0.00 H new ATOM 0 HA GLN A 60 -13.206 -8.211 11.670 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -14.414 -6.212 10.724 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.975 -6.748 9.114 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -15.269 -8.791 9.371 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -15.580 -8.437 11.059 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -17.360 -8.818 8.623 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -18.412 -7.400 8.627 1.00 0.00 H new ATOM 901 N CYS A 61 -12.984 -10.144 10.095 1.00 0.00 N ATOM 902 CA CYS A 61 -12.652 -11.319 9.299 1.00 0.00 C ATOM 903 C CYS A 61 -13.534 -11.403 8.057 1.00 0.00 C ATOM 904 O CYS A 61 -14.673 -10.934 8.060 1.00 0.00 O ATOM 905 CB CYS A 61 -12.810 -12.590 10.137 1.00 0.00 C ATOM 906 SG CYS A 61 -12.037 -14.066 9.401 1.00 0.00 S ATOM 0 H CYS A 61 -13.577 -10.336 10.902 1.00 0.00 H new ATOM 0 HA CYS A 61 -11.614 -11.228 8.980 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.377 -12.419 11.122 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -13.872 -12.785 10.285 1.00 0.00 H new ATOM 911 N ILE A 62 -13.000 -12.002 6.998 1.00 0.00 N ATOM 912 CA ILE A 62 -13.740 -12.148 5.750 1.00 0.00 C ATOM 913 C ILE A 62 -14.250 -13.574 5.578 1.00 0.00 C ATOM 914 O ILE A 62 -15.009 -13.864 4.654 1.00 0.00 O ATOM 915 CB ILE A 62 -12.871 -11.775 4.535 1.00 0.00 C ATOM 916 CG1 ILE A 62 -11.714 -12.765 4.384 1.00 0.00 C ATOM 917 CG2 ILE A 62 -12.345 -10.354 4.676 1.00 0.00 C ATOM 918 CD1 ILE A 62 -12.039 -13.943 3.493 1.00 0.00 C ATOM 0 H ILE A 62 -12.058 -12.394 6.979 1.00 0.00 H new ATOM 0 HA ILE A 62 -14.588 -11.466 5.803 1.00 0.00 H new ATOM 0 HB ILE A 62 -13.487 -11.826 3.637 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -10.849 -12.241 3.978 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -11.430 -13.133 5.370 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -11.732 -10.105 3.809 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -13.183 -9.660 4.739 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -11.742 -10.277 5.581 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.173 -14.603 3.432 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.884 -14.491 3.909 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -12.294 -13.585 2.495 1.00 0.00 H new ATOM 930 N ASN A 63 -13.830 -14.460 6.474 1.00 0.00 N ATOM 931 CA ASN A 63 -14.246 -15.857 6.422 1.00 0.00 C ATOM 932 C ASN A 63 -15.465 -16.095 7.308 1.00 0.00 C ATOM 933 O ASN A 63 -16.454 -16.687 6.875 1.00 0.00 O ATOM 934 CB ASN A 63 -13.098 -16.769 6.859 1.00 0.00 C ATOM 935 CG ASN A 63 -12.240 -17.219 5.693 1.00 0.00 C ATOM 936 OD1 ASN A 63 -12.672 -17.183 4.540 1.00 0.00 O ATOM 937 ND2 ASN A 63 -11.017 -17.645 5.987 1.00 0.00 N ATOM 0 H ASN A 63 -13.202 -14.236 7.245 1.00 0.00 H new ATOM 0 HA ASN A 63 -14.516 -16.092 5.392 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -12.475 -16.243 7.583 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -13.506 -17.644 7.365 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -10.394 -17.960 5.243 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -10.701 -17.658 6.957 1.00 0.00 H new ATOM 944 N CYS A 64 -15.387 -15.629 8.550 1.00 0.00 N ATOM 945 CA CYS A 64 -16.483 -15.791 9.498 1.00 0.00 C ATOM 946 C CYS A 64 -17.027 -14.434 9.936 1.00 0.00 C ATOM 947 O CYS A 64 -17.655 -14.317 10.988 1.00 0.00 O ATOM 948 CB CYS A 64 -16.016 -16.584 10.720 1.00 0.00 C ATOM 949 SG CYS A 64 -14.772 -15.723 11.734 1.00 0.00 S ATOM 0 H CYS A 64 -14.576 -15.136 8.924 1.00 0.00 H new ATOM 0 HA CYS A 64 -17.282 -16.341 9.001 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -16.881 -16.814 11.343 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -15.602 -17.535 10.386 1.00 0.00 H new ATOM 954 N GLU A 65 -16.781 -13.413 9.121 1.00 0.00 N ATOM 955 CA GLU A 65 -17.246 -12.064 9.425 1.00 0.00 C ATOM 956 C GLU A 65 -17.364 -11.857 10.933 1.00 0.00 C ATOM 957 O GLU A 65 -18.394 -11.400 11.430 1.00 0.00 O ATOM 958 CB GLU A 65 -18.597 -11.804 8.756 1.00 0.00 C ATOM 959 CG GLU A 65 -18.532 -11.785 7.239 1.00 0.00 C ATOM 960 CD GLU A 65 -17.354 -10.987 6.715 1.00 0.00 C ATOM 961 OE1 GLU A 65 -16.963 -10.003 7.378 1.00 0.00 O ATOM 962 OE2 GLU A 65 -16.823 -11.345 5.643 1.00 0.00 O ATOM 0 H GLU A 65 -16.263 -13.494 8.246 1.00 0.00 H new ATOM 0 HA GLU A 65 -16.514 -11.357 9.035 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -19.303 -12.573 9.071 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -18.988 -10.849 9.106 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -18.466 -12.808 6.869 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -19.456 -11.363 6.845 1.00 0.00 H new ATOM 969 N LYS A 66 -16.302 -12.196 11.655 1.00 0.00 N ATOM 970 CA LYS A 66 -16.283 -12.047 13.106 1.00 0.00 C ATOM 971 C LYS A 66 -15.438 -10.847 13.519 1.00 0.00 C ATOM 972 O LYS A 66 -14.420 -10.546 12.893 1.00 0.00 O ATOM 973 CB LYS A 66 -15.739 -13.318 13.762 1.00 0.00 C ATOM 974 CG LYS A 66 -15.540 -13.189 15.263 1.00 0.00 C ATOM 975 CD LYS A 66 -16.810 -13.532 16.025 1.00 0.00 C ATOM 976 CE LYS A 66 -16.587 -13.484 17.529 1.00 0.00 C ATOM 977 NZ LYS A 66 -17.854 -13.232 18.269 1.00 0.00 N ATOM 0 H LYS A 66 -15.442 -12.576 11.259 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.306 -11.881 13.443 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.425 -14.142 13.564 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -14.787 -13.578 13.298 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -14.733 -13.849 15.582 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -15.233 -12.171 15.504 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -17.600 -12.833 15.751 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -17.150 -14.527 15.738 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -16.153 -14.427 17.862 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -15.867 -12.701 17.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -17.660 -13.206 19.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -18.255 -12.320 17.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -18.533 -13.993 18.064 1.00 0.00 H new ATOM 991 N LEU A 67 -15.863 -10.164 14.576 1.00 0.00 N ATOM 992 CA LEU A 67 -15.144 -8.997 15.074 1.00 0.00 C ATOM 993 C LEU A 67 -13.924 -9.416 15.888 1.00 0.00 C ATOM 994 O LEU A 67 -13.906 -10.490 16.488 1.00 0.00 O ATOM 995 CB LEU A 67 -16.069 -8.130 15.929 1.00 0.00 C ATOM 996 CG LEU A 67 -15.664 -6.664 16.082 1.00 0.00 C ATOM 997 CD1 LEU A 67 -15.813 -5.928 14.759 1.00 0.00 C ATOM 998 CD2 LEU A 67 -16.494 -5.990 17.165 1.00 0.00 C ATOM 0 H LEU A 67 -16.703 -10.399 15.105 1.00 0.00 H new ATOM 0 HA LEU A 67 -14.804 -8.417 14.216 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -17.069 -8.166 15.498 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -16.134 -8.574 16.923 1.00 0.00 H new ATOM 0 HG LEU A 67 -14.616 -6.627 16.380 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.520 -4.886 14.887 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -15.174 -6.395 14.009 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -16.851 -5.975 14.431 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -16.191 -4.947 17.259 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -17.550 -6.039 16.898 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -16.336 -6.501 18.115 1.00 0.00 H new ATOM 1010 N GLN A 68 -12.908 -8.559 15.905 1.00 0.00 N ATOM 1011 CA GLN A 68 -11.685 -8.840 16.648 1.00 0.00 C ATOM 1012 C GLN A 68 -10.757 -7.630 16.645 1.00 0.00 C ATOM 1013 O GLN A 68 -11.075 -6.591 16.066 1.00 0.00 O ATOM 1014 CB GLN A 68 -10.967 -10.050 16.049 1.00 0.00 C ATOM 1015 CG GLN A 68 -10.720 -9.933 14.553 1.00 0.00 C ATOM 1016 CD GLN A 68 -10.845 -11.262 13.835 1.00 0.00 C ATOM 1017 OE1 GLN A 68 -9.847 -11.927 13.557 1.00 0.00 O ATOM 1018 NE2 GLN A 68 -12.076 -11.657 13.531 1.00 0.00 N ATOM 0 H GLN A 68 -12.907 -7.665 15.413 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.958 -9.063 17.679 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.012 -10.183 16.557 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.558 -10.945 16.242 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.430 -9.225 14.126 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.723 -9.525 14.384 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.875 -11.074 13.781 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.223 -12.543 13.048 1.00 0.00 H new ATOM 1027 N HIS A 69 -9.607 -7.771 17.297 1.00 0.00 N ATOM 1028 CA HIS A 69 -8.631 -6.689 17.369 1.00 0.00 C ATOM 1029 C HIS A 69 -7.386 -7.024 16.553 1.00 0.00 C ATOM 1030 O HIS A 69 -7.194 -8.166 16.137 1.00 0.00 O ATOM 1031 CB HIS A 69 -8.244 -6.420 18.824 1.00 0.00 C ATOM 1032 CG HIS A 69 -7.056 -7.207 19.283 1.00 0.00 C ATOM 1033 ND1 HIS A 69 -5.868 -6.623 19.666 1.00 0.00 N ATOM 1034 CD2 HIS A 69 -6.879 -8.542 19.422 1.00 0.00 C ATOM 1035 CE1 HIS A 69 -5.010 -7.563 20.019 1.00 0.00 C ATOM 1036 NE2 HIS A 69 -5.599 -8.737 19.880 1.00 0.00 N ATOM 0 H HIS A 69 -9.328 -8.623 17.783 1.00 0.00 H new ATOM 0 HA HIS A 69 -9.088 -5.792 16.950 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -8.034 -5.357 18.945 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.094 -6.652 19.466 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -7.608 -9.310 19.212 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -3.999 -7.400 20.363 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.172 -9.642 20.080 1.00 0.00 H new ATOM 1044 N ALA A 70 -6.545 -6.021 16.327 1.00 0.00 N ATOM 1045 CA ALA A 70 -5.319 -6.210 15.562 1.00 0.00 C ATOM 1046 C ALA A 70 -4.635 -7.521 15.935 1.00 0.00 C ATOM 1047 O ALA A 70 -4.224 -7.712 17.079 1.00 0.00 O ATOM 1048 CB ALA A 70 -4.373 -5.038 15.783 1.00 0.00 C ATOM 0 H ALA A 70 -6.690 -5.069 16.663 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.583 -6.256 14.506 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.461 -5.192 15.206 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.855 -4.115 15.460 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.124 -4.966 16.842 1.00 0.00 H new ATOM 1054 N GLN A 71 -4.518 -8.420 14.963 1.00 0.00 N ATOM 1055 CA GLN A 71 -3.886 -9.713 15.192 1.00 0.00 C ATOM 1056 C GLN A 71 -3.426 -10.334 13.877 1.00 0.00 C ATOM 1057 O GLN A 71 -3.560 -9.728 12.814 1.00 0.00 O ATOM 1058 CB GLN A 71 -4.853 -10.659 15.905 1.00 0.00 C ATOM 1059 CG GLN A 71 -6.115 -10.952 15.110 1.00 0.00 C ATOM 1060 CD GLN A 71 -7.096 -11.822 15.871 1.00 0.00 C ATOM 1061 OE1 GLN A 71 -8.370 -11.738 15.505 1.00 0.00 O flip ATOM 1062 NE2 GLN A 71 -6.713 -12.562 16.778 1.00 0.00 N flip ATOM 0 H GLN A 71 -4.853 -8.276 14.010 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.012 -9.555 15.824 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.341 -11.598 16.116 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.131 -10.225 16.865 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.599 -10.012 14.845 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.845 -11.446 14.177 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -5.724 -12.595 17.026 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.385 -13.142 17.281 1.00 0.00 H new ATOM 1071 N GLN A 72 -2.883 -11.545 13.957 1.00 0.00 N ATOM 1072 CA GLN A 72 -2.403 -12.246 12.773 1.00 0.00 C ATOM 1073 C GLN A 72 -3.363 -13.362 12.374 1.00 0.00 C ATOM 1074 O GLN A 72 -3.470 -13.713 11.199 1.00 0.00 O ATOM 1075 CB GLN A 72 -1.009 -12.824 13.027 1.00 0.00 C ATOM 1076 CG GLN A 72 -0.676 -14.017 12.146 1.00 0.00 C ATOM 1077 CD GLN A 72 0.817 -14.250 12.020 1.00 0.00 C ATOM 1078 OE1 GLN A 72 1.448 -13.553 11.082 1.00 0.00 O flip ATOM 1079 NE2 GLN A 72 1.397 -15.048 12.757 1.00 0.00 N flip ATOM 0 H GLN A 72 -2.765 -12.060 14.829 1.00 0.00 H new ATOM 0 HA GLN A 72 -2.348 -11.528 11.954 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.266 -12.044 12.864 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.933 -13.123 14.073 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.146 -14.910 12.557 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.101 -13.861 11.154 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.873 -15.563 13.465 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.402 -15.194 12.660 1.00 0.00 H new ATOM 1088 N THR A 73 -4.061 -13.916 13.360 1.00 0.00 N ATOM 1089 CA THR A 73 -5.012 -14.993 13.113 1.00 0.00 C ATOM 1090 C THR A 73 -6.362 -14.692 13.752 1.00 0.00 C ATOM 1091 O THR A 73 -6.437 -14.034 14.790 1.00 0.00 O ATOM 1092 CB THR A 73 -4.490 -16.338 13.653 1.00 0.00 C ATOM 1093 OG1 THR A 73 -3.058 -16.334 13.676 1.00 0.00 O ATOM 1094 CG2 THR A 73 -4.985 -17.494 12.796 1.00 0.00 C ATOM 0 H THR A 73 -3.986 -13.636 14.338 1.00 0.00 H new ATOM 0 HA THR A 73 -5.133 -15.066 12.032 1.00 0.00 H new ATOM 0 HB THR A 73 -4.869 -16.469 14.666 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.734 -17.192 14.022 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.604 -18.433 13.197 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.075 -17.512 12.804 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.632 -17.366 11.773 1.00 0.00 H new ATOM 1102 N CYS A 74 -7.429 -15.177 13.125 1.00 0.00 N ATOM 1103 CA CYS A 74 -8.779 -14.960 13.633 1.00 0.00 C ATOM 1104 C CYS A 74 -8.970 -15.647 14.982 1.00 0.00 C ATOM 1105 O CYS A 74 -8.347 -16.670 15.262 1.00 0.00 O ATOM 1106 CB CYS A 74 -9.812 -15.481 12.632 1.00 0.00 C ATOM 1107 SG CYS A 74 -11.513 -14.917 12.958 1.00 0.00 S ATOM 0 H CYS A 74 -7.385 -15.723 12.264 1.00 0.00 H new ATOM 0 HA CYS A 74 -8.922 -13.888 13.768 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -9.522 -15.166 11.630 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -9.794 -16.571 12.641 1.00 0.00 H new ATOM 1112 N GLU A 75 -9.836 -15.076 15.813 1.00 0.00 N ATOM 1113 CA GLU A 75 -10.108 -15.633 17.133 1.00 0.00 C ATOM 1114 C GLU A 75 -11.425 -16.403 17.137 1.00 0.00 C ATOM 1115 O GLU A 75 -12.010 -16.647 18.193 1.00 0.00 O ATOM 1116 CB GLU A 75 -10.151 -14.520 18.182 1.00 0.00 C ATOM 1117 CG GLU A 75 -11.191 -13.450 17.891 1.00 0.00 C ATOM 1118 CD GLU A 75 -12.542 -13.769 18.501 1.00 0.00 C ATOM 1119 OE1 GLU A 75 -13.259 -14.624 17.941 1.00 0.00 O ATOM 1120 OE2 GLU A 75 -12.882 -13.163 19.539 1.00 0.00 O ATOM 0 H GLU A 75 -10.361 -14.229 15.596 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.302 -16.324 17.381 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.357 -14.960 19.158 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.168 -14.052 18.244 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.840 -12.493 18.276 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.301 -13.339 16.812 1.00 0.00 H new ATOM 1127 N ASP A 76 -11.886 -16.781 15.950 1.00 0.00 N ATOM 1128 CA ASP A 76 -13.134 -17.524 15.816 1.00 0.00 C ATOM 1129 C ASP A 76 -12.963 -18.708 14.870 1.00 0.00 C ATOM 1130 O ASP A 76 -13.499 -19.790 15.108 1.00 0.00 O ATOM 1131 CB ASP A 76 -14.246 -16.606 15.308 1.00 0.00 C ATOM 1132 CG ASP A 76 -15.529 -17.358 15.014 1.00 0.00 C ATOM 1133 OD1 ASP A 76 -15.511 -18.238 14.128 1.00 0.00 O ATOM 1134 OD2 ASP A 76 -16.552 -17.067 15.670 1.00 0.00 O ATOM 0 H ASP A 76 -11.415 -16.585 15.067 1.00 0.00 H new ATOM 0 HA ASP A 76 -13.409 -17.905 16.800 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.443 -15.834 16.051 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -13.910 -16.099 14.403 1.00 0.00 H new ATOM 1139 N CYS A 77 -12.212 -18.495 13.794 1.00 0.00 N ATOM 1140 CA CYS A 77 -11.971 -19.543 12.810 1.00 0.00 C ATOM 1141 C CYS A 77 -10.484 -19.879 12.726 1.00 0.00 C ATOM 1142 O CYS A 77 -10.101 -20.917 12.187 1.00 0.00 O ATOM 1143 CB CYS A 77 -12.485 -19.110 11.436 1.00 0.00 C ATOM 1144 SG CYS A 77 -11.596 -17.689 10.723 1.00 0.00 S ATOM 0 H CYS A 77 -11.760 -17.606 13.582 1.00 0.00 H new ATOM 0 HA CYS A 77 -12.510 -20.435 13.128 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -12.410 -19.953 10.750 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -13.543 -18.859 11.518 1.00 0.00 H new ATOM 1149 N SER A 78 -9.652 -18.993 13.263 1.00 0.00 N ATOM 1150 CA SER A 78 -8.208 -19.192 13.247 1.00 0.00 C ATOM 1151 C SER A 78 -7.673 -19.173 11.818 1.00 0.00 C ATOM 1152 O SER A 78 -6.871 -20.024 11.430 1.00 0.00 O ATOM 1153 CB SER A 78 -7.847 -20.518 13.920 1.00 0.00 C ATOM 1154 OG SER A 78 -6.557 -20.458 14.504 1.00 0.00 O ATOM 0 H SER A 78 -9.953 -18.130 13.715 1.00 0.00 H new ATOM 0 HA SER A 78 -7.747 -18.374 13.801 1.00 0.00 H new ATOM 0 HB2 SER A 78 -8.586 -20.754 14.686 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.880 -21.323 13.186 1.00 0.00 H new ATOM 0 HG SER A 78 -6.350 -21.316 14.929 1.00 0.00 H new ATOM 1160 N THR A 79 -8.124 -18.196 11.037 1.00 0.00 N ATOM 1161 CA THR A 79 -7.693 -18.065 9.651 1.00 0.00 C ATOM 1162 C THR A 79 -6.530 -17.088 9.526 1.00 0.00 C ATOM 1163 O THR A 79 -6.673 -15.897 9.806 1.00 0.00 O ATOM 1164 CB THR A 79 -8.846 -17.590 8.747 1.00 0.00 C ATOM 1165 OG1 THR A 79 -9.706 -18.691 8.430 1.00 0.00 O ATOM 1166 CG2 THR A 79 -8.310 -16.974 7.464 1.00 0.00 C ATOM 0 H THR A 79 -8.788 -17.484 11.341 1.00 0.00 H new ATOM 0 HA THR A 79 -7.369 -19.054 9.326 1.00 0.00 H new ATOM 0 HB THR A 79 -9.412 -16.831 9.287 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.484 -18.680 9.026 1.00 0.00 H new ATOM 0 HG21 THR A 79 -9.143 -16.646 6.842 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.680 -16.118 7.707 1.00 0.00 H new ATOM 0 HG23 THR A 79 -7.723 -17.715 6.922 1.00 0.00 H new ATOM 1174 N LEU A 80 -5.378 -17.597 9.105 1.00 0.00 N ATOM 1175 CA LEU A 80 -4.188 -16.769 8.943 1.00 0.00 C ATOM 1176 C LEU A 80 -4.485 -15.556 8.066 1.00 0.00 C ATOM 1177 O LEU A 80 -4.666 -15.683 6.855 1.00 0.00 O ATOM 1178 CB LEU A 80 -3.051 -17.589 8.331 1.00 0.00 C ATOM 1179 CG LEU A 80 -1.647 -17.000 8.475 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -1.243 -16.933 9.940 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -0.641 -17.820 7.680 1.00 0.00 C ATOM 0 H LEU A 80 -5.242 -18.580 8.869 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.883 -16.417 9.928 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.057 -18.579 8.788 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.259 -17.726 7.270 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.657 -15.986 8.076 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.241 -16.511 10.022 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.948 -16.303 10.483 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.250 -17.936 10.366 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.353 -17.387 7.794 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.634 -18.845 8.050 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.920 -17.816 6.626 1.00 0.00 H new ATOM 1193 N PHE A 81 -4.530 -14.382 8.685 1.00 0.00 N ATOM 1194 CA PHE A 81 -4.803 -13.146 7.961 1.00 0.00 C ATOM 1195 C PHE A 81 -3.580 -12.699 7.166 1.00 0.00 C ATOM 1196 O PHE A 81 -3.566 -11.616 6.582 1.00 0.00 O ATOM 1197 CB PHE A 81 -5.224 -12.042 8.933 1.00 0.00 C ATOM 1198 CG PHE A 81 -6.552 -12.295 9.589 1.00 0.00 C ATOM 1199 CD1 PHE A 81 -7.684 -12.525 8.825 1.00 0.00 C ATOM 1200 CD2 PHE A 81 -6.667 -12.304 10.970 1.00 0.00 C ATOM 1201 CE1 PHE A 81 -8.907 -12.758 9.426 1.00 0.00 C ATOM 1202 CE2 PHE A 81 -7.887 -12.537 11.577 1.00 0.00 C ATOM 1203 CZ PHE A 81 -9.008 -12.765 10.803 1.00 0.00 C ATOM 0 H PHE A 81 -4.381 -14.260 9.687 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.618 -13.337 7.263 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -4.461 -11.937 9.704 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -5.267 -11.094 8.397 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -7.611 -12.522 7.748 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.793 -12.127 11.579 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -9.783 -12.934 8.819 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.963 -12.541 12.654 1.00 0.00 H new ATOM 0 HZ PHE A 81 -9.962 -12.949 11.274 1.00 0.00 H new ATOM 1213 N GLY A 82 -2.552 -13.543 7.149 1.00 0.00 N ATOM 1214 CA GLY A 82 -1.337 -13.218 6.425 1.00 0.00 C ATOM 1215 C GLY A 82 -0.089 -13.681 7.149 1.00 0.00 C ATOM 1216 O GLY A 82 0.103 -13.377 8.325 1.00 0.00 O ATOM 0 H GLY A 82 -2.539 -14.446 7.624 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.372 -13.678 5.438 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.286 -12.140 6.273 1.00 0.00 H new ATOM 1220 N GLU A 83 0.762 -14.422 6.444 1.00 0.00 N ATOM 1221 CA GLU A 83 1.997 -14.930 7.029 1.00 0.00 C ATOM 1222 C GLU A 83 2.698 -13.848 7.845 1.00 0.00 C ATOM 1223 O GLU A 83 3.182 -14.102 8.949 1.00 0.00 O ATOM 1224 CB GLU A 83 2.933 -15.444 5.933 1.00 0.00 C ATOM 1225 CG GLU A 83 2.385 -16.644 5.179 1.00 0.00 C ATOM 1226 CD GLU A 83 3.448 -17.356 4.365 1.00 0.00 C ATOM 1227 OE1 GLU A 83 4.422 -17.854 4.966 1.00 0.00 O ATOM 1228 OE2 GLU A 83 3.305 -17.414 3.125 1.00 0.00 O ATOM 0 H GLU A 83 0.618 -14.683 5.468 1.00 0.00 H new ATOM 0 HA GLU A 83 1.741 -15.754 7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.127 -14.638 5.225 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.890 -15.713 6.380 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.946 -17.345 5.889 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.583 -16.317 4.517 1.00 0.00 H new ATOM 1235 N TYR A 84 2.749 -12.640 7.295 1.00 0.00 N ATOM 1236 CA TYR A 84 3.393 -11.519 7.969 1.00 0.00 C ATOM 1237 C TYR A 84 2.356 -10.535 8.503 1.00 0.00 C ATOM 1238 O TYR A 84 1.374 -10.224 7.828 1.00 0.00 O ATOM 1239 CB TYR A 84 4.348 -10.802 7.014 1.00 0.00 C ATOM 1240 CG TYR A 84 5.165 -9.716 7.676 1.00 0.00 C ATOM 1241 CD1 TYR A 84 5.990 -10.001 8.757 1.00 0.00 C ATOM 1242 CD2 TYR A 84 5.113 -8.404 7.219 1.00 0.00 C ATOM 1243 CE1 TYR A 84 6.738 -9.012 9.366 1.00 0.00 C ATOM 1244 CE2 TYR A 84 5.859 -7.409 7.821 1.00 0.00 C ATOM 1245 CZ TYR A 84 6.669 -7.717 8.894 1.00 0.00 C ATOM 1246 OH TYR A 84 7.413 -6.729 9.496 1.00 0.00 O ATOM 0 H TYR A 84 2.352 -12.412 6.384 1.00 0.00 H new ATOM 0 HA TYR A 84 3.961 -11.913 8.812 1.00 0.00 H new ATOM 0 HB2 TYR A 84 5.023 -11.534 6.571 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.772 -10.365 6.198 1.00 0.00 H new ATOM 0 HD1 TYR A 84 6.048 -11.014 9.128 1.00 0.00 H new ATOM 0 HD2 TYR A 84 4.479 -8.159 6.380 1.00 0.00 H new ATOM 0 HE1 TYR A 84 7.373 -9.251 10.206 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.808 -6.395 7.453 1.00 0.00 H new ATOM 0 HH TYR A 84 7.251 -5.875 9.043 1.00 0.00 H new ATOM 1256 N TYR A 85 2.582 -10.048 9.718 1.00 0.00 N ATOM 1257 CA TYR A 85 1.668 -9.101 10.344 1.00 0.00 C ATOM 1258 C TYR A 85 2.436 -7.995 11.061 1.00 0.00 C ATOM 1259 O TYR A 85 3.243 -8.261 11.952 1.00 0.00 O ATOM 1260 CB TYR A 85 0.750 -9.823 11.332 1.00 0.00 C ATOM 1261 CG TYR A 85 1.398 -10.099 12.670 1.00 0.00 C ATOM 1262 CD1 TYR A 85 2.300 -11.144 12.824 1.00 0.00 C ATOM 1263 CD2 TYR A 85 1.108 -9.314 13.779 1.00 0.00 C ATOM 1264 CE1 TYR A 85 2.894 -11.400 14.045 1.00 0.00 C ATOM 1265 CE2 TYR A 85 1.698 -9.562 15.003 1.00 0.00 C ATOM 1266 CZ TYR A 85 2.590 -10.607 15.131 1.00 0.00 C ATOM 1267 OH TYR A 85 3.180 -10.858 16.349 1.00 0.00 O ATOM 0 H TYR A 85 3.391 -10.294 10.289 1.00 0.00 H new ATOM 0 HA TYR A 85 1.062 -8.648 9.560 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -0.146 -9.222 11.489 1.00 0.00 H new ATOM 0 HB3 TYR A 85 0.428 -10.767 10.892 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.541 -11.767 11.975 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.409 -8.496 13.682 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.593 -12.217 14.148 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.463 -8.942 15.855 1.00 0.00 H new ATOM 0 HH TYR A 85 2.859 -10.208 17.008 1.00 0.00 H new ATOM 1277 N CYS A 86 2.178 -6.753 10.666 1.00 0.00 N ATOM 1278 CA CYS A 86 2.843 -5.604 11.270 1.00 0.00 C ATOM 1279 C CYS A 86 2.008 -5.029 12.410 1.00 0.00 C ATOM 1280 O CYS A 86 0.782 -4.963 12.323 1.00 0.00 O ATOM 1281 CB CYS A 86 3.099 -4.525 10.216 1.00 0.00 C ATOM 1282 SG CYS A 86 4.275 -3.237 10.742 1.00 0.00 S ATOM 0 H CYS A 86 1.513 -6.516 9.930 1.00 0.00 H new ATOM 0 HA CYS A 86 3.797 -5.940 11.676 1.00 0.00 H new ATOM 0 HB2 CYS A 86 3.477 -4.999 9.310 1.00 0.00 H new ATOM 0 HB3 CYS A 86 2.151 -4.053 9.957 1.00 0.00 H new ATOM 1287 N SER A 87 2.681 -4.614 13.478 1.00 0.00 N ATOM 1288 CA SER A 87 2.002 -4.047 14.637 1.00 0.00 C ATOM 1289 C SER A 87 1.945 -2.525 14.544 1.00 0.00 C ATOM 1290 O SER A 87 1.023 -1.895 15.062 1.00 0.00 O ATOM 1291 CB SER A 87 2.714 -4.464 15.926 1.00 0.00 C ATOM 1292 OG SER A 87 3.985 -3.848 16.029 1.00 0.00 O ATOM 0 H SER A 87 3.696 -4.660 13.565 1.00 0.00 H new ATOM 0 HA SER A 87 0.982 -4.431 14.653 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.104 -4.191 16.787 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.829 -5.548 15.947 1.00 0.00 H new ATOM 0 HG SER A 87 4.418 -4.129 16.862 1.00 0.00 H new ATOM 1298 N ILE A 88 2.937 -1.943 13.880 1.00 0.00 N ATOM 1299 CA ILE A 88 3.001 -0.495 13.717 1.00 0.00 C ATOM 1300 C ILE A 88 2.010 -0.017 12.660 1.00 0.00 C ATOM 1301 O ILE A 88 1.165 0.837 12.927 1.00 0.00 O ATOM 1302 CB ILE A 88 4.416 -0.034 13.323 1.00 0.00 C ATOM 1303 CG1 ILE A 88 5.436 -0.501 14.364 1.00 0.00 C ATOM 1304 CG2 ILE A 88 4.458 1.479 13.174 1.00 0.00 C ATOM 1305 CD1 ILE A 88 6.869 -0.418 13.886 1.00 0.00 C ATOM 0 H ILE A 88 3.708 -2.451 13.446 1.00 0.00 H new ATOM 0 HA ILE A 88 2.741 -0.057 14.681 1.00 0.00 H new ATOM 0 HB ILE A 88 4.674 -0.481 12.363 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.326 0.103 15.265 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.213 -1.531 14.642 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.465 1.789 12.895 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.756 1.788 12.400 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.183 1.946 14.120 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.536 -0.765 14.675 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.995 -1.045 13.003 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.110 0.615 13.635 1.00 0.00 H new ATOM 1317 N CYS A 89 2.120 -0.575 11.459 1.00 0.00 N ATOM 1318 CA CYS A 89 1.234 -0.208 10.361 1.00 0.00 C ATOM 1319 C CYS A 89 -0.080 -0.979 10.441 1.00 0.00 C ATOM 1320 O CYS A 89 -1.086 -0.575 9.858 1.00 0.00 O ATOM 1321 CB CYS A 89 1.915 -0.478 9.017 1.00 0.00 C ATOM 1322 SG CYS A 89 3.644 0.088 8.933 1.00 0.00 S ATOM 0 H CYS A 89 2.814 -1.283 11.222 1.00 0.00 H new ATOM 0 HA CYS A 89 1.016 0.857 10.444 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.884 -1.549 8.815 1.00 0.00 H new ATOM 0 HB3 CYS A 89 1.345 0.012 8.228 1.00 0.00 H new ATOM 1327 N HIS A 90 -0.064 -2.092 11.169 1.00 0.00 N ATOM 1328 CA HIS A 90 -1.254 -2.919 11.327 1.00 0.00 C ATOM 1329 C HIS A 90 -1.701 -3.490 9.984 1.00 0.00 C ATOM 1330 O HIS A 90 -2.894 -3.526 9.679 1.00 0.00 O ATOM 1331 CB HIS A 90 -2.388 -2.105 11.951 1.00 0.00 C ATOM 1332 CG HIS A 90 -1.995 -1.401 13.213 1.00 0.00 C ATOM 1333 ND1 HIS A 90 -1.967 -0.027 13.331 1.00 0.00 N ATOM 1334 CD2 HIS A 90 -1.616 -1.888 14.417 1.00 0.00 C ATOM 1335 CE1 HIS A 90 -1.585 0.300 14.552 1.00 0.00 C ATOM 1336 NE2 HIS A 90 -1.366 -0.812 15.232 1.00 0.00 N ATOM 0 H HIS A 90 0.760 -2.441 11.658 1.00 0.00 H new ATOM 0 HA HIS A 90 -1.005 -3.748 11.990 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -2.737 -1.368 11.227 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -3.227 -2.768 12.161 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -1.527 -2.930 14.687 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -1.471 1.305 14.931 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -1.061 -0.862 16.204 1.00 0.00 H new ATOM 1344 N LEU A 91 -0.737 -3.935 9.186 1.00 0.00 N ATOM 1345 CA LEU A 91 -1.031 -4.504 7.875 1.00 0.00 C ATOM 1346 C LEU A 91 -0.737 -6.000 7.853 1.00 0.00 C ATOM 1347 O LEU A 91 0.089 -6.493 8.621 1.00 0.00 O ATOM 1348 CB LEU A 91 -0.212 -3.795 6.794 1.00 0.00 C ATOM 1349 CG LEU A 91 -0.049 -4.549 5.474 1.00 0.00 C ATOM 1350 CD1 LEU A 91 0.069 -3.573 4.314 1.00 0.00 C ATOM 1351 CD2 LEU A 91 1.166 -5.464 5.529 1.00 0.00 C ATOM 0 H LEU A 91 0.255 -3.913 9.423 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.092 -4.358 7.672 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.679 -2.833 6.585 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.780 -3.587 7.196 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.935 -5.164 5.317 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.184 -4.127 3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.830 -2.959 4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.938 -2.932 4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.267 -5.993 4.581 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.061 -4.869 5.710 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.041 -6.186 6.336 1.00 0.00 H new ATOM 1363 N PHE A 92 -1.418 -6.719 6.965 1.00 0.00 N ATOM 1364 CA PHE A 92 -1.229 -8.159 6.842 1.00 0.00 C ATOM 1365 C PHE A 92 -1.075 -8.564 5.378 1.00 0.00 C ATOM 1366 O PHE A 92 -2.012 -8.445 4.589 1.00 0.00 O ATOM 1367 CB PHE A 92 -2.409 -8.905 7.467 1.00 0.00 C ATOM 1368 CG PHE A 92 -2.880 -8.305 8.761 1.00 0.00 C ATOM 1369 CD1 PHE A 92 -2.215 -8.574 9.947 1.00 0.00 C ATOM 1370 CD2 PHE A 92 -3.987 -7.472 8.792 1.00 0.00 C ATOM 1371 CE1 PHE A 92 -2.646 -8.023 11.139 1.00 0.00 C ATOM 1372 CE2 PHE A 92 -4.422 -6.919 9.982 1.00 0.00 C ATOM 1373 CZ PHE A 92 -3.750 -7.194 11.156 1.00 0.00 C ATOM 0 H PHE A 92 -2.105 -6.327 6.321 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.316 -8.427 7.374 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.237 -8.917 6.759 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.122 -9.942 7.640 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.351 -9.221 9.940 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.516 -7.252 7.876 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.120 -8.241 12.057 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.287 -6.272 9.993 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.087 -6.761 12.086 1.00 0.00 H new ATOM 1383 N ASP A 93 0.113 -9.041 5.025 1.00 0.00 N ATOM 1384 CA ASP A 93 0.391 -9.464 3.657 1.00 0.00 C ATOM 1385 C ASP A 93 1.050 -10.840 3.637 1.00 0.00 C ATOM 1386 O ASP A 93 1.844 -11.173 4.518 1.00 0.00 O ATOM 1387 CB ASP A 93 1.290 -8.444 2.958 1.00 0.00 C ATOM 1388 CG ASP A 93 1.618 -8.842 1.532 1.00 0.00 C ATOM 1389 OD1 ASP A 93 0.782 -9.519 0.898 1.00 0.00 O ATOM 1390 OD2 ASP A 93 2.710 -8.475 1.050 1.00 0.00 O ATOM 0 H ASP A 93 0.899 -9.145 5.667 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.557 -9.527 3.123 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.798 -7.471 2.957 1.00 0.00 H new ATOM 0 HB3 ASP A 93 2.215 -8.332 3.523 1.00 0.00 H new ATOM 1395 N LYS A 94 0.715 -11.636 2.627 1.00 0.00 N ATOM 1396 CA LYS A 94 1.274 -12.976 2.491 1.00 0.00 C ATOM 1397 C LYS A 94 2.772 -12.915 2.212 1.00 0.00 C ATOM 1398 O LYS A 94 3.350 -11.833 2.105 1.00 0.00 O ATOM 1399 CB LYS A 94 0.565 -13.734 1.367 1.00 0.00 C ATOM 1400 CG LYS A 94 0.994 -13.299 -0.024 1.00 0.00 C ATOM 1401 CD LYS A 94 0.766 -14.399 -1.047 1.00 0.00 C ATOM 1402 CE LYS A 94 1.974 -15.316 -1.159 1.00 0.00 C ATOM 1403 NZ LYS A 94 1.973 -16.366 -0.103 1.00 0.00 N ATOM 0 H LYS A 94 0.059 -11.376 1.890 1.00 0.00 H new ATOM 0 HA LYS A 94 1.119 -13.505 3.432 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.758 -14.801 1.481 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.511 -13.593 1.467 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.437 -12.408 -0.316 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.049 -13.025 -0.012 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.110 -14.983 -0.766 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.554 -13.955 -2.019 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.981 -15.789 -2.141 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.887 -14.725 -1.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.354 -17.251 -0.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.564 -16.057 0.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.000 -16.524 0.228 1.00 0.00 H new ATOM 1417 N ASP A 95 3.395 -14.082 2.095 1.00 0.00 N ATOM 1418 CA ASP A 95 4.826 -14.161 1.825 1.00 0.00 C ATOM 1419 C ASP A 95 5.155 -13.576 0.455 1.00 0.00 C ATOM 1420 O ASP A 95 5.091 -14.270 -0.560 1.00 0.00 O ATOM 1421 CB ASP A 95 5.302 -15.613 1.901 1.00 0.00 C ATOM 1422 CG ASP A 95 6.657 -15.813 1.251 1.00 0.00 C ATOM 1423 OD1 ASP A 95 7.553 -14.973 1.476 1.00 0.00 O ATOM 1424 OD2 ASP A 95 6.821 -16.811 0.517 1.00 0.00 O ATOM 0 H ASP A 95 2.932 -14.987 2.183 1.00 0.00 H new ATOM 0 HA ASP A 95 5.346 -13.576 2.584 1.00 0.00 H new ATOM 0 HB2 ASP A 95 5.354 -15.921 2.945 1.00 0.00 H new ATOM 0 HB3 ASP A 95 4.570 -16.258 1.415 1.00 0.00 H new ATOM 1429 N LYS A 96 5.505 -12.295 0.433 1.00 0.00 N ATOM 1430 CA LYS A 96 5.843 -11.615 -0.811 1.00 0.00 C ATOM 1431 C LYS A 96 7.103 -10.771 -0.645 1.00 0.00 C ATOM 1432 O LYS A 96 7.195 -9.665 -1.178 1.00 0.00 O ATOM 1433 CB LYS A 96 4.680 -10.730 -1.266 1.00 0.00 C ATOM 1434 CG LYS A 96 3.643 -11.467 -2.095 1.00 0.00 C ATOM 1435 CD LYS A 96 3.014 -10.558 -3.137 1.00 0.00 C ATOM 1436 CE LYS A 96 2.189 -9.456 -2.490 1.00 0.00 C ATOM 1437 NZ LYS A 96 1.109 -8.969 -3.393 1.00 0.00 N ATOM 0 H LYS A 96 5.562 -11.706 1.264 1.00 0.00 H new ATOM 0 HA LYS A 96 6.032 -12.374 -1.570 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.195 -10.303 -0.388 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.074 -9.898 -1.849 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.109 -12.320 -2.589 1.00 0.00 H new ATOM 0 HG3 LYS A 96 2.867 -11.863 -1.440 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.796 -10.114 -3.754 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.380 -11.147 -3.800 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.749 -9.828 -1.565 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.841 -8.624 -2.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.569 -8.219 -2.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.530 -8.591 -4.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.472 -9.757 -3.629 1.00 0.00 H new ATOM 1451 N ARG A 97 8.070 -11.299 0.097 1.00 0.00 N ATOM 1452 CA ARG A 97 9.324 -10.594 0.333 1.00 0.00 C ATOM 1453 C ARG A 97 9.066 -9.144 0.732 1.00 0.00 C ATOM 1454 O ARG A 97 9.683 -8.224 0.196 1.00 0.00 O ATOM 1455 CB ARG A 97 10.204 -10.641 -0.918 1.00 0.00 C ATOM 1456 CG ARG A 97 11.625 -10.158 -0.681 1.00 0.00 C ATOM 1457 CD ARG A 97 12.433 -11.171 0.116 1.00 0.00 C ATOM 1458 NE ARG A 97 12.909 -12.270 -0.719 1.00 0.00 N ATOM 1459 CZ ARG A 97 13.950 -13.033 -0.406 1.00 0.00 C ATOM 1460 NH1 ARG A 97 14.620 -12.818 0.717 1.00 0.00 N ATOM 1461 NH2 ARG A 97 14.322 -14.015 -1.217 1.00 0.00 N ATOM 0 H ARG A 97 8.009 -12.213 0.545 1.00 0.00 H new ATOM 0 HA ARG A 97 9.842 -11.092 1.153 1.00 0.00 H new ATOM 0 HB2 ARG A 97 10.235 -11.664 -1.292 1.00 0.00 H new ATOM 0 HB3 ARG A 97 9.747 -10.031 -1.697 1.00 0.00 H new ATOM 0 HG2 ARG A 97 12.112 -9.975 -1.639 1.00 0.00 H new ATOM 0 HG3 ARG A 97 11.603 -9.208 -0.147 1.00 0.00 H new ATOM 0 HD2 ARG A 97 13.285 -10.672 0.579 1.00 0.00 H new ATOM 0 HD3 ARG A 97 11.819 -11.569 0.924 1.00 0.00 H new ATOM 0 HE ARG A 97 12.415 -12.462 -1.590 1.00 0.00 H new ATOM 0 HH11 ARG A 97 14.337 -12.065 1.344 1.00 0.00 H new ATOM 0 HH12 ARG A 97 15.419 -13.406 0.955 1.00 0.00 H new ATOM 0 HH21 ARG A 97 13.808 -14.184 -2.082 1.00 0.00 H new ATOM 0 HH22 ARG A 97 15.122 -14.600 -0.976 1.00 0.00 H new ATOM 1475 N GLN A 98 8.150 -8.950 1.676 1.00 0.00 N ATOM 1476 CA GLN A 98 7.810 -7.612 2.145 1.00 0.00 C ATOM 1477 C GLN A 98 8.314 -7.389 3.567 1.00 0.00 C ATOM 1478 O GLN A 98 7.959 -8.129 4.485 1.00 0.00 O ATOM 1479 CB GLN A 98 6.297 -7.398 2.088 1.00 0.00 C ATOM 1480 CG GLN A 98 5.853 -6.043 2.615 1.00 0.00 C ATOM 1481 CD GLN A 98 4.484 -5.638 2.106 1.00 0.00 C ATOM 1482 OE1 GLN A 98 3.499 -6.507 2.301 1.00 0.00 O flip ATOM 1483 NE2 GLN A 98 4.313 -4.556 1.544 1.00 0.00 N flip ATOM 0 H GLN A 98 7.631 -9.701 2.130 1.00 0.00 H new ATOM 0 HA GLN A 98 8.297 -6.890 1.489 1.00 0.00 H new ATOM 0 HB2 GLN A 98 5.962 -7.505 1.056 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.806 -8.182 2.665 1.00 0.00 H new ATOM 0 HG2 GLN A 98 5.838 -6.069 3.705 1.00 0.00 H new ATOM 0 HG3 GLN A 98 6.583 -5.287 2.324 1.00 0.00 H new ATOM 0 HE21 GLN A 98 5.099 -3.918 1.415 1.00 0.00 H new ATOM 0 HE22 GLN A 98 3.386 -4.297 1.207 1.00 0.00 H new ATOM 1492 N TYR A 99 9.142 -6.366 3.743 1.00 0.00 N ATOM 1493 CA TYR A 99 9.697 -6.048 5.053 1.00 0.00 C ATOM 1494 C TYR A 99 9.141 -4.726 5.574 1.00 0.00 C ATOM 1495 O TYR A 99 8.318 -4.085 4.920 1.00 0.00 O ATOM 1496 CB TYR A 99 11.223 -5.979 4.981 1.00 0.00 C ATOM 1497 CG TYR A 99 11.741 -4.744 4.281 1.00 0.00 C ATOM 1498 CD1 TYR A 99 11.988 -3.573 4.987 1.00 0.00 C ATOM 1499 CD2 TYR A 99 11.985 -4.747 2.913 1.00 0.00 C ATOM 1500 CE1 TYR A 99 12.461 -2.441 4.351 1.00 0.00 C ATOM 1501 CE2 TYR A 99 12.460 -3.621 2.269 1.00 0.00 C ATOM 1502 CZ TYR A 99 12.695 -2.470 2.992 1.00 0.00 C ATOM 1503 OH TYR A 99 13.167 -1.346 2.355 1.00 0.00 O ATOM 0 H TYR A 99 9.444 -5.742 2.995 1.00 0.00 H new ATOM 0 HA TYR A 99 9.408 -6.840 5.744 1.00 0.00 H new ATOM 0 HB2 TYR A 99 11.628 -6.010 5.993 1.00 0.00 H new ATOM 0 HB3 TYR A 99 11.594 -6.863 4.462 1.00 0.00 H new ATOM 0 HD1 TYR A 99 11.807 -3.547 6.051 1.00 0.00 H new ATOM 0 HD2 TYR A 99 11.800 -5.646 2.343 1.00 0.00 H new ATOM 0 HE1 TYR A 99 12.646 -1.539 4.915 1.00 0.00 H new ATOM 0 HE2 TYR A 99 12.646 -3.642 1.205 1.00 0.00 H new ATOM 0 HH TYR A 99 13.279 -1.534 1.400 1.00 0.00 H new ATOM 1513 N HIS A 100 9.598 -4.323 6.755 1.00 0.00 N ATOM 1514 CA HIS A 100 9.149 -3.077 7.365 1.00 0.00 C ATOM 1515 C HIS A 100 10.337 -2.231 7.812 1.00 0.00 C ATOM 1516 O HIS A 100 11.349 -2.759 8.275 1.00 0.00 O ATOM 1517 CB HIS A 100 8.237 -3.367 8.557 1.00 0.00 C ATOM 1518 CG HIS A 100 7.935 -2.158 9.389 1.00 0.00 C ATOM 1519 ND1 HIS A 100 6.756 -1.452 9.289 1.00 0.00 N ATOM 1520 CD2 HIS A 100 8.668 -1.533 10.341 1.00 0.00 C ATOM 1521 CE1 HIS A 100 6.776 -0.443 10.142 1.00 0.00 C ATOM 1522 NE2 HIS A 100 7.925 -0.470 10.793 1.00 0.00 N ATOM 0 H HIS A 100 10.280 -4.842 7.309 1.00 0.00 H new ATOM 0 HA HIS A 100 8.588 -2.517 6.616 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.301 -3.790 8.193 1.00 0.00 H new ATOM 0 HB3 HIS A 100 8.705 -4.123 9.187 1.00 0.00 H new ATOM 0 HD2 HIS A 100 9.653 -1.817 10.681 1.00 0.00 H new ATOM 0 HE1 HIS A 100 5.987 0.281 10.283 1.00 0.00 H new ATOM 0 HE2 HIS A 100 8.214 0.191 11.514 1.00 0.00 H new ATOM 1530 N CYS A 101 10.209 -0.916 7.670 1.00 0.00 N ATOM 1531 CA CYS A 101 11.272 0.003 8.057 1.00 0.00 C ATOM 1532 C CYS A 101 10.836 0.874 9.232 1.00 0.00 C ATOM 1533 O CYS A 101 9.814 1.556 9.166 1.00 0.00 O ATOM 1534 CB CYS A 101 11.668 0.886 6.873 1.00 0.00 C ATOM 1535 SG CYS A 101 12.834 2.220 7.297 1.00 0.00 S ATOM 0 H CYS A 101 9.378 -0.463 7.289 1.00 0.00 H new ATOM 0 HA CYS A 101 12.135 -0.588 8.365 1.00 0.00 H new ATOM 0 HB2 CYS A 101 12.114 0.260 6.100 1.00 0.00 H new ATOM 0 HB3 CYS A 101 10.768 1.327 6.446 1.00 0.00 H new ATOM 1540 N GLU A 102 11.619 0.845 10.306 1.00 0.00 N ATOM 1541 CA GLU A 102 11.314 1.632 11.495 1.00 0.00 C ATOM 1542 C GLU A 102 11.523 3.120 11.232 1.00 0.00 C ATOM 1543 O GLU A 102 10.687 3.949 11.591 1.00 0.00 O ATOM 1544 CB GLU A 102 12.186 1.182 12.669 1.00 0.00 C ATOM 1545 CG GLU A 102 12.058 -0.297 12.991 1.00 0.00 C ATOM 1546 CD GLU A 102 12.451 -0.619 14.420 1.00 0.00 C ATOM 1547 OE1 GLU A 102 13.613 -0.349 14.790 1.00 0.00 O ATOM 1548 OE2 GLU A 102 11.597 -1.141 15.167 1.00 0.00 O ATOM 0 H GLU A 102 12.469 0.285 10.377 1.00 0.00 H new ATOM 0 HA GLU A 102 10.266 1.470 11.747 1.00 0.00 H new ATOM 0 HB2 GLU A 102 13.228 1.407 12.443 1.00 0.00 H new ATOM 0 HB3 GLU A 102 11.919 1.762 13.552 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.029 -0.614 12.821 1.00 0.00 H new ATOM 0 HG3 GLU A 102 12.685 -0.869 12.308 1.00 0.00 H new ATOM 1555 N SER A 103 12.646 3.451 10.602 1.00 0.00 N ATOM 1556 CA SER A 103 12.969 4.840 10.294 1.00 0.00 C ATOM 1557 C SER A 103 11.818 5.513 9.553 1.00 0.00 C ATOM 1558 O SER A 103 11.579 6.711 9.712 1.00 0.00 O ATOM 1559 CB SER A 103 14.245 4.914 9.454 1.00 0.00 C ATOM 1560 OG SER A 103 15.339 4.323 10.134 1.00 0.00 O ATOM 0 H SER A 103 13.347 2.777 10.295 1.00 0.00 H new ATOM 0 HA SER A 103 13.131 5.368 11.234 1.00 0.00 H new ATOM 0 HB2 SER A 103 14.087 4.406 8.502 1.00 0.00 H new ATOM 0 HB3 SER A 103 14.474 5.955 9.226 1.00 0.00 H new ATOM 0 HG SER A 103 16.179 4.649 9.748 1.00 0.00 H new ATOM 1566 N CYS A 104 11.108 4.735 8.744 1.00 0.00 N ATOM 1567 CA CYS A 104 9.982 5.254 7.976 1.00 0.00 C ATOM 1568 C CYS A 104 8.656 4.830 8.601 1.00 0.00 C ATOM 1569 O CYS A 104 7.585 5.144 8.084 1.00 0.00 O ATOM 1570 CB CYS A 104 10.056 4.765 6.529 1.00 0.00 C ATOM 1571 SG CYS A 104 11.582 5.246 5.658 1.00 0.00 S ATOM 0 H CYS A 104 11.292 3.742 8.603 1.00 0.00 H new ATOM 0 HA CYS A 104 10.037 6.343 7.988 1.00 0.00 H new ATOM 0 HB2 CYS A 104 9.972 3.678 6.519 1.00 0.00 H new ATOM 0 HB3 CYS A 104 9.199 5.156 5.981 1.00 0.00 H new ATOM 1576 N GLY A 105 8.738 4.113 9.718 1.00 0.00 N ATOM 1577 CA GLY A 105 7.538 3.657 10.396 1.00 0.00 C ATOM 1578 C GLY A 105 6.500 3.112 9.434 1.00 0.00 C ATOM 1579 O GLY A 105 5.305 3.123 9.729 1.00 0.00 O ATOM 0 H GLY A 105 9.613 3.840 10.165 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.803 2.883 11.116 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.107 4.484 10.961 1.00 0.00 H new ATOM 1583 N ILE A 106 6.957 2.635 8.281 1.00 0.00 N ATOM 1584 CA ILE A 106 6.060 2.085 7.273 1.00 0.00 C ATOM 1585 C ILE A 106 6.595 0.768 6.721 1.00 0.00 C ATOM 1586 O ILE A 106 7.724 0.373 7.013 1.00 0.00 O ATOM 1587 CB ILE A 106 5.850 3.070 6.108 1.00 0.00 C ATOM 1588 CG1 ILE A 106 7.199 3.537 5.557 1.00 0.00 C ATOM 1589 CG2 ILE A 106 5.017 4.259 6.563 1.00 0.00 C ATOM 1590 CD1 ILE A 106 7.744 2.648 4.461 1.00 0.00 C ATOM 0 H ILE A 106 7.943 2.618 8.022 1.00 0.00 H new ATOM 0 HA ILE A 106 5.103 1.908 7.765 1.00 0.00 H new ATOM 0 HB ILE A 106 5.311 2.558 5.311 1.00 0.00 H new ATOM 0 HG12 ILE A 106 7.094 4.551 5.172 1.00 0.00 H new ATOM 0 HG13 ILE A 106 7.921 3.579 6.373 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.877 4.946 5.728 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.045 3.910 6.912 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.531 4.774 7.375 1.00 0.00 H new ATOM 0 HD11 ILE A 106 8.702 3.039 4.118 1.00 0.00 H new ATOM 0 HD12 ILE A 106 7.882 1.638 4.847 1.00 0.00 H new ATOM 0 HD13 ILE A 106 7.042 2.626 3.628 1.00 0.00 H new ATOM 1602 N CYS A 107 5.777 0.093 5.921 1.00 0.00 N ATOM 1603 CA CYS A 107 6.167 -1.180 5.325 1.00 0.00 C ATOM 1604 C CYS A 107 6.568 -0.997 3.865 1.00 0.00 C ATOM 1605 O CYS A 107 6.044 -0.125 3.171 1.00 0.00 O ATOM 1606 CB CYS A 107 5.020 -2.188 5.428 1.00 0.00 C ATOM 1607 SG CYS A 107 4.936 -3.057 7.027 1.00 0.00 S ATOM 0 H CYS A 107 4.839 0.406 5.670 1.00 0.00 H new ATOM 0 HA CYS A 107 7.028 -1.561 5.875 1.00 0.00 H new ATOM 0 HB2 CYS A 107 4.077 -1.668 5.259 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.125 -2.924 4.631 1.00 0.00 H new ATOM 1612 N ARG A 108 7.501 -1.824 3.405 1.00 0.00 N ATOM 1613 CA ARG A 108 7.973 -1.753 2.027 1.00 0.00 C ATOM 1614 C ARG A 108 8.335 -3.140 1.505 1.00 0.00 C ATOM 1615 O ARG A 108 8.422 -4.100 2.271 1.00 0.00 O ATOM 1616 CB ARG A 108 9.187 -0.827 1.929 1.00 0.00 C ATOM 1617 CG ARG A 108 8.942 0.560 2.500 1.00 0.00 C ATOM 1618 CD ARG A 108 10.138 1.473 2.279 1.00 0.00 C ATOM 1619 NE ARG A 108 10.149 2.044 0.935 1.00 0.00 N ATOM 1620 CZ ARG A 108 10.721 1.455 -0.109 1.00 0.00 C ATOM 1621 NH1 ARG A 108 11.326 0.284 0.035 1.00 0.00 N ATOM 1622 NH2 ARG A 108 10.689 2.038 -1.301 1.00 0.00 N ATOM 0 H ARG A 108 7.945 -2.551 3.966 1.00 0.00 H new ATOM 0 HA ARG A 108 7.167 -1.351 1.413 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.025 -1.284 2.454 1.00 0.00 H new ATOM 0 HB3 ARG A 108 9.479 -0.734 0.883 1.00 0.00 H new ATOM 0 HG2 ARG A 108 8.059 0.996 2.033 1.00 0.00 H new ATOM 0 HG3 ARG A 108 8.733 0.484 3.567 1.00 0.00 H new ATOM 0 HD2 ARG A 108 10.121 2.277 3.015 1.00 0.00 H new ATOM 0 HD3 ARG A 108 11.058 0.911 2.442 1.00 0.00 H new ATOM 0 HE ARG A 108 9.692 2.944 0.790 1.00 0.00 H new ATOM 0 HH11 ARG A 108 11.353 -0.167 0.949 1.00 0.00 H new ATOM 0 HH12 ARG A 108 11.764 -0.166 -0.769 1.00 0.00 H new ATOM 0 HH21 ARG A 108 10.225 2.939 -1.416 1.00 0.00 H new ATOM 0 HH22 ARG A 108 11.129 1.585 -2.102 1.00 0.00 H new ATOM 1636 N ILE A 109 8.544 -3.238 0.196 1.00 0.00 N ATOM 1637 CA ILE A 109 8.897 -4.507 -0.428 1.00 0.00 C ATOM 1638 C ILE A 109 10.409 -4.648 -0.569 1.00 0.00 C ATOM 1639 O ILE A 109 11.098 -3.706 -0.957 1.00 0.00 O ATOM 1640 CB ILE A 109 8.247 -4.650 -1.817 1.00 0.00 C ATOM 1641 CG1 ILE A 109 6.723 -4.599 -1.699 1.00 0.00 C ATOM 1642 CG2 ILE A 109 8.690 -5.948 -2.477 1.00 0.00 C ATOM 1643 CD1 ILE A 109 6.142 -5.728 -0.877 1.00 0.00 C ATOM 0 H ILE A 109 8.475 -2.454 -0.453 1.00 0.00 H new ATOM 0 HA ILE A 109 8.520 -5.296 0.223 1.00 0.00 H new ATOM 0 HB ILE A 109 8.572 -3.818 -2.442 1.00 0.00 H new ATOM 0 HG12 ILE A 109 6.433 -3.648 -1.252 1.00 0.00 H new ATOM 0 HG13 ILE A 109 6.288 -4.627 -2.698 1.00 0.00 H new ATOM 0 HG21 ILE A 109 8.223 -6.035 -3.458 1.00 0.00 H new ATOM 0 HG22 ILE A 109 9.774 -5.947 -2.590 1.00 0.00 H new ATOM 0 HG23 ILE A 109 8.391 -6.792 -1.856 1.00 0.00 H new ATOM 0 HD11 ILE A 109 5.057 -5.628 -0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.401 -6.682 -1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 109 6.548 -5.689 0.134 1.00 0.00 H new ATOM 1655 N GLY A 110 10.919 -5.835 -0.253 1.00 0.00 N ATOM 1656 CA GLY A 110 12.346 -6.080 -0.353 1.00 0.00 C ATOM 1657 C GLY A 110 12.757 -6.561 -1.730 1.00 0.00 C ATOM 1658 O GLY A 110 12.269 -6.076 -2.752 1.00 0.00 O ATOM 0 H GLY A 110 10.369 -6.631 0.070 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.886 -5.164 -0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 110 12.637 -6.823 0.390 1.00 0.00 H new ATOM 1662 N PRO A 111 13.676 -7.536 -1.771 1.00 0.00 N ATOM 1663 CA PRO A 111 14.264 -8.121 -0.562 1.00 0.00 C ATOM 1664 C PRO A 111 15.186 -7.147 0.163 1.00 0.00 C ATOM 1665 O PRO A 111 16.172 -6.673 -0.401 1.00 0.00 O ATOM 1666 CB PRO A 111 15.059 -9.315 -1.095 1.00 0.00 C ATOM 1667 CG PRO A 111 15.377 -8.958 -2.506 1.00 0.00 C ATOM 1668 CD PRO A 111 14.213 -8.144 -3.000 1.00 0.00 C ATOM 0 HA PRO A 111 13.504 -8.392 0.171 1.00 0.00 H new ATOM 0 HB2 PRO A 111 15.966 -9.478 -0.514 1.00 0.00 H new ATOM 0 HB3 PRO A 111 14.476 -10.235 -1.041 1.00 0.00 H new ATOM 0 HG2 PRO A 111 16.304 -8.388 -2.565 1.00 0.00 H new ATOM 0 HG3 PRO A 111 15.513 -9.853 -3.114 1.00 0.00 H new ATOM 0 HD2 PRO A 111 14.528 -7.387 -3.718 1.00 0.00 H new ATOM 0 HD3 PRO A 111 13.470 -8.767 -3.498 1.00 0.00 H new ATOM 1676 N LYS A 112 14.861 -6.853 1.417 1.00 0.00 N ATOM 1677 CA LYS A 112 15.661 -5.937 2.222 1.00 0.00 C ATOM 1678 C LYS A 112 17.147 -6.102 1.918 1.00 0.00 C ATOM 1679 O LYS A 112 17.900 -5.129 1.913 1.00 0.00 O ATOM 1680 CB LYS A 112 15.405 -6.177 3.711 1.00 0.00 C ATOM 1681 CG LYS A 112 16.175 -5.235 4.620 1.00 0.00 C ATOM 1682 CD LYS A 112 15.361 -3.997 4.959 1.00 0.00 C ATOM 1683 CE LYS A 112 15.660 -2.854 4.001 1.00 0.00 C ATOM 1684 NZ LYS A 112 16.916 -2.141 4.362 1.00 0.00 N ATOM 0 H LYS A 112 14.048 -7.236 1.899 1.00 0.00 H new ATOM 0 HA LYS A 112 15.367 -4.919 1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 112 14.339 -6.069 3.910 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.673 -7.205 3.956 1.00 0.00 H new ATOM 0 HG2 LYS A 112 16.447 -5.755 5.538 1.00 0.00 H new ATOM 0 HG3 LYS A 112 17.105 -4.938 4.134 1.00 0.00 H new ATOM 0 HD2 LYS A 112 14.298 -4.237 4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 112 15.580 -3.684 5.980 1.00 0.00 H new ATOM 0 HE2 LYS A 112 15.742 -3.243 2.986 1.00 0.00 H new ATOM 0 HE3 LYS A 112 14.828 -2.149 4.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 16.839 -1.141 4.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 17.070 -2.208 5.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 17.718 -2.576 3.862 1.00 0.00 H new ATOM 1698 N GLU A 113 17.560 -7.340 1.663 1.00 0.00 N ATOM 1699 CA GLU A 113 18.956 -7.630 1.357 1.00 0.00 C ATOM 1700 C GLU A 113 19.488 -6.680 0.289 1.00 0.00 C ATOM 1701 O GLU A 113 20.500 -6.007 0.489 1.00 0.00 O ATOM 1702 CB GLU A 113 19.108 -9.079 0.888 1.00 0.00 C ATOM 1703 CG GLU A 113 18.944 -10.099 2.002 1.00 0.00 C ATOM 1704 CD GLU A 113 18.487 -11.452 1.490 1.00 0.00 C ATOM 1705 OE1 GLU A 113 19.355 -12.265 1.108 1.00 0.00 O ATOM 1706 OE2 GLU A 113 17.263 -11.698 1.472 1.00 0.00 O ATOM 0 H GLU A 113 16.949 -8.157 1.662 1.00 0.00 H new ATOM 0 HA GLU A 113 19.538 -7.487 2.268 1.00 0.00 H new ATOM 0 HB2 GLU A 113 18.370 -9.280 0.111 1.00 0.00 H new ATOM 0 HB3 GLU A 113 20.091 -9.204 0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 113 19.892 -10.214 2.527 1.00 0.00 H new ATOM 0 HG3 GLU A 113 18.221 -9.726 2.728 1.00 0.00 H new ATOM 1713 N ASP A 114 18.800 -6.630 -0.846 1.00 0.00 N ATOM 1714 CA ASP A 114 19.202 -5.762 -1.947 1.00 0.00 C ATOM 1715 C ASP A 114 18.632 -4.358 -1.768 1.00 0.00 C ATOM 1716 O ASP A 114 18.239 -3.709 -2.737 1.00 0.00 O ATOM 1717 CB ASP A 114 18.738 -6.348 -3.282 1.00 0.00 C ATOM 1718 CG ASP A 114 19.705 -7.379 -3.829 1.00 0.00 C ATOM 1719 OD1 ASP A 114 20.444 -7.984 -3.025 1.00 0.00 O ATOM 1720 OD2 ASP A 114 19.723 -7.581 -5.061 1.00 0.00 O ATOM 0 H ASP A 114 17.961 -7.180 -1.028 1.00 0.00 H new ATOM 0 HA ASP A 114 20.290 -5.696 -1.947 1.00 0.00 H new ATOM 0 HB2 ASP A 114 17.757 -6.806 -3.153 1.00 0.00 H new ATOM 0 HB3 ASP A 114 18.621 -5.543 -4.008 1.00 0.00 H new ATOM 1725 N PHE A 115 18.591 -3.897 -0.523 1.00 0.00 N ATOM 1726 CA PHE A 115 18.068 -2.570 -0.216 1.00 0.00 C ATOM 1727 C PHE A 115 18.622 -2.060 1.111 1.00 0.00 C ATOM 1728 O PHE A 115 19.207 -2.819 1.885 1.00 0.00 O ATOM 1729 CB PHE A 115 16.539 -2.602 -0.164 1.00 0.00 C ATOM 1730 CG PHE A 115 15.896 -2.722 -1.517 1.00 0.00 C ATOM 1731 CD1 PHE A 115 15.743 -3.960 -2.118 1.00 0.00 C ATOM 1732 CD2 PHE A 115 15.445 -1.596 -2.186 1.00 0.00 C ATOM 1733 CE1 PHE A 115 15.151 -4.075 -3.362 1.00 0.00 C ATOM 1734 CE2 PHE A 115 14.852 -1.704 -3.430 1.00 0.00 C ATOM 1735 CZ PHE A 115 14.706 -2.944 -4.019 1.00 0.00 C ATOM 0 H PHE A 115 18.913 -4.422 0.290 1.00 0.00 H new ATOM 0 HA PHE A 115 18.385 -1.890 -1.007 1.00 0.00 H new ATOM 0 HB2 PHE A 115 16.222 -3.441 0.456 1.00 0.00 H new ATOM 0 HB3 PHE A 115 16.181 -1.694 0.321 1.00 0.00 H new ATOM 0 HD1 PHE A 115 16.090 -4.847 -1.609 1.00 0.00 H new ATOM 0 HD2 PHE A 115 15.558 -0.623 -1.731 1.00 0.00 H new ATOM 0 HE1 PHE A 115 15.037 -5.047 -3.819 1.00 0.00 H new ATOM 0 HE2 PHE A 115 14.503 -0.819 -3.941 1.00 0.00 H new ATOM 0 HZ PHE A 115 14.245 -3.030 -4.992 1.00 0.00 H new ATOM 1745 N PHE A 116 18.435 -0.770 1.367 1.00 0.00 N ATOM 1746 CA PHE A 116 18.917 -0.157 2.599 1.00 0.00 C ATOM 1747 C PHE A 116 18.153 1.128 2.902 1.00 0.00 C ATOM 1748 O PHE A 116 17.290 1.548 2.130 1.00 0.00 O ATOM 1749 CB PHE A 116 20.415 0.140 2.494 1.00 0.00 C ATOM 1750 CG PHE A 116 20.749 1.179 1.462 1.00 0.00 C ATOM 1751 CD1 PHE A 116 20.339 2.493 1.624 1.00 0.00 C ATOM 1752 CD2 PHE A 116 21.472 0.842 0.329 1.00 0.00 C ATOM 1753 CE1 PHE A 116 20.645 3.451 0.676 1.00 0.00 C ATOM 1754 CE2 PHE A 116 21.782 1.796 -0.622 1.00 0.00 C ATOM 1755 CZ PHE A 116 21.366 3.102 -0.448 1.00 0.00 C ATOM 0 H PHE A 116 17.953 -0.128 0.737 1.00 0.00 H new ATOM 0 HA PHE A 116 18.749 -0.860 3.415 1.00 0.00 H new ATOM 0 HB2 PHE A 116 20.780 0.474 3.465 1.00 0.00 H new ATOM 0 HB3 PHE A 116 20.944 -0.782 2.254 1.00 0.00 H new ATOM 0 HD1 PHE A 116 19.774 2.772 2.501 1.00 0.00 H new ATOM 0 HD2 PHE A 116 21.797 -0.178 0.187 1.00 0.00 H new ATOM 0 HE1 PHE A 116 20.320 4.472 0.815 1.00 0.00 H new ATOM 0 HE2 PHE A 116 22.348 1.521 -1.499 1.00 0.00 H new ATOM 0 HZ PHE A 116 21.605 3.849 -1.191 1.00 0.00 H new ATOM 1765 N HIS A 117 18.474 1.748 4.033 1.00 0.00 N ATOM 1766 CA HIS A 117 17.818 2.986 4.440 1.00 0.00 C ATOM 1767 C HIS A 117 18.847 4.046 4.820 1.00 0.00 C ATOM 1768 O HIS A 117 19.668 3.838 5.714 1.00 0.00 O ATOM 1769 CB HIS A 117 16.878 2.726 5.617 1.00 0.00 C ATOM 1770 CG HIS A 117 16.296 3.974 6.206 1.00 0.00 C ATOM 1771 ND1 HIS A 117 15.016 4.409 5.933 1.00 0.00 N ATOM 1772 CD2 HIS A 117 16.826 4.882 7.058 1.00 0.00 C ATOM 1773 CE1 HIS A 117 14.785 5.531 6.591 1.00 0.00 C ATOM 1774 NE2 HIS A 117 15.867 5.839 7.282 1.00 0.00 N ATOM 0 H HIS A 117 19.184 1.414 4.684 1.00 0.00 H new ATOM 0 HA HIS A 117 17.237 3.356 3.595 1.00 0.00 H new ATOM 0 HB2 HIS A 117 16.067 2.077 5.287 1.00 0.00 H new ATOM 0 HB3 HIS A 117 17.421 2.187 6.393 1.00 0.00 H new ATOM 0 HD2 HIS A 117 17.819 4.858 7.483 1.00 0.00 H new ATOM 0 HE1 HIS A 117 13.867 6.100 6.568 1.00 0.00 H new ATOM 0 HE2 HIS A 117 15.973 6.655 7.884 1.00 0.00 H new ATOM 1782 N CYS A 118 18.798 5.184 4.135 1.00 0.00 N ATOM 1783 CA CYS A 118 19.725 6.277 4.399 1.00 0.00 C ATOM 1784 C CYS A 118 19.159 7.230 5.448 1.00 0.00 C ATOM 1785 O CYS A 118 17.959 7.507 5.467 1.00 0.00 O ATOM 1786 CB CYS A 118 20.026 7.042 3.108 1.00 0.00 C ATOM 1787 SG CYS A 118 21.149 8.459 3.328 1.00 0.00 S ATOM 0 H CYS A 118 18.125 5.373 3.392 1.00 0.00 H new ATOM 0 HA CYS A 118 20.651 5.849 4.784 1.00 0.00 H new ATOM 0 HB2 CYS A 118 20.464 6.354 2.384 1.00 0.00 H new ATOM 0 HB3 CYS A 118 19.088 7.398 2.682 1.00 0.00 H new ATOM 1792 N LEU A 119 20.030 7.728 6.318 1.00 0.00 N ATOM 1793 CA LEU A 119 19.618 8.650 7.370 1.00 0.00 C ATOM 1794 C LEU A 119 19.407 10.054 6.812 1.00 0.00 C ATOM 1795 O LEU A 119 18.278 10.539 6.734 1.00 0.00 O ATOM 1796 CB LEU A 119 20.666 8.685 8.485 1.00 0.00 C ATOM 1797 CG LEU A 119 20.867 7.381 9.258 1.00 0.00 C ATOM 1798 CD1 LEU A 119 22.229 7.366 9.935 1.00 0.00 C ATOM 1799 CD2 LEU A 119 19.758 7.192 10.282 1.00 0.00 C ATOM 0 H LEU A 119 21.026 7.509 6.316 1.00 0.00 H new ATOM 0 HA LEU A 119 18.672 8.295 7.779 1.00 0.00 H new ATOM 0 HB2 LEU A 119 21.622 8.977 8.049 1.00 0.00 H new ATOM 0 HB3 LEU A 119 20.388 9.465 9.194 1.00 0.00 H new ATOM 0 HG LEU A 119 20.827 6.552 8.551 1.00 0.00 H new ATOM 0 HD11 LEU A 119 22.354 6.430 10.480 1.00 0.00 H new ATOM 0 HD12 LEU A 119 23.011 7.454 9.181 1.00 0.00 H new ATOM 0 HD13 LEU A 119 22.299 8.203 10.630 1.00 0.00 H new ATOM 0 HD21 LEU A 119 19.917 6.259 10.823 1.00 0.00 H new ATOM 0 HD22 LEU A 119 19.766 8.025 10.985 1.00 0.00 H new ATOM 0 HD23 LEU A 119 18.795 7.156 9.773 1.00 0.00 H new ATOM 1811 N LYS A 120 20.500 10.701 6.422 1.00 0.00 N ATOM 1812 CA LYS A 120 20.435 12.048 5.867 1.00 0.00 C ATOM 1813 C LYS A 120 19.204 12.213 4.982 1.00 0.00 C ATOM 1814 O LYS A 120 18.460 13.185 5.110 1.00 0.00 O ATOM 1815 CB LYS A 120 21.700 12.351 5.062 1.00 0.00 C ATOM 1816 CG LYS A 120 22.858 12.846 5.911 1.00 0.00 C ATOM 1817 CD LYS A 120 22.789 14.349 6.126 1.00 0.00 C ATOM 1818 CE LYS A 120 24.170 14.944 6.351 1.00 0.00 C ATOM 1819 NZ LYS A 120 24.725 14.571 7.681 1.00 0.00 N ATOM 0 H LYS A 120 21.442 10.314 6.480 1.00 0.00 H new ATOM 0 HA LYS A 120 20.362 12.753 6.695 1.00 0.00 H new ATOM 0 HB2 LYS A 120 22.008 11.449 4.533 1.00 0.00 H new ATOM 0 HB3 LYS A 120 21.468 13.101 4.306 1.00 0.00 H new ATOM 0 HG2 LYS A 120 22.846 12.339 6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 120 23.801 12.590 5.427 1.00 0.00 H new ATOM 0 HD2 LYS A 120 22.325 14.821 5.260 1.00 0.00 H new ATOM 0 HD3 LYS A 120 22.154 14.566 6.985 1.00 0.00 H new ATOM 0 HE2 LYS A 120 24.845 14.601 5.567 1.00 0.00 H new ATOM 0 HE3 LYS A 120 24.115 16.030 6.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 25.667 14.996 7.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 24.094 14.920 8.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 24.802 13.536 7.747 1.00 0.00 H new ATOM 1833 N CYS A 121 18.994 11.256 4.084 1.00 0.00 N ATOM 1834 CA CYS A 121 17.853 11.294 3.177 1.00 0.00 C ATOM 1835 C CYS A 121 16.552 11.035 3.930 1.00 0.00 C ATOM 1836 O CYS A 121 15.528 11.658 3.653 1.00 0.00 O ATOM 1837 CB CYS A 121 18.026 10.260 2.063 1.00 0.00 C ATOM 1838 SG CYS A 121 19.441 10.581 0.962 1.00 0.00 S ATOM 0 H CYS A 121 19.600 10.444 3.965 1.00 0.00 H new ATOM 0 HA CYS A 121 17.804 12.289 2.735 1.00 0.00 H new ATOM 0 HB2 CYS A 121 18.146 9.274 2.513 1.00 0.00 H new ATOM 0 HB3 CYS A 121 17.115 10.229 1.466 1.00 0.00 H new ATOM 1843 N ASN A 122 16.600 10.111 4.884 1.00 0.00 N ATOM 1844 CA ASN A 122 15.425 9.769 5.677 1.00 0.00 C ATOM 1845 C ASN A 122 14.406 9.003 4.838 1.00 0.00 C ATOM 1846 O ASN A 122 13.210 9.295 4.875 1.00 0.00 O ATOM 1847 CB ASN A 122 14.783 11.035 6.248 1.00 0.00 C ATOM 1848 CG ASN A 122 14.052 10.775 7.551 1.00 0.00 C ATOM 1849 OD1 ASN A 122 13.753 9.629 7.890 1.00 0.00 O ATOM 1850 ND2 ASN A 122 13.758 11.840 8.288 1.00 0.00 N ATOM 0 H ASN A 122 17.440 9.586 5.127 1.00 0.00 H new ATOM 0 HA ASN A 122 15.746 9.130 6.499 1.00 0.00 H new ATOM 0 HB2 ASN A 122 15.554 11.788 6.411 1.00 0.00 H new ATOM 0 HB3 ASN A 122 14.085 11.446 5.519 1.00 0.00 H new ATOM 0 HD21 ASN A 122 13.265 11.727 9.174 1.00 0.00 H new ATOM 0 HD22 ASN A 122 14.025 12.771 7.968 1.00 0.00 H new ATOM 1857 N LEU A 123 14.888 8.022 4.082 1.00 0.00 N ATOM 1858 CA LEU A 123 14.020 7.213 3.234 1.00 0.00 C ATOM 1859 C LEU A 123 14.706 5.910 2.838 1.00 0.00 C ATOM 1860 O LEU A 123 15.914 5.752 3.019 1.00 0.00 O ATOM 1861 CB LEU A 123 13.625 7.996 1.980 1.00 0.00 C ATOM 1862 CG LEU A 123 14.768 8.682 1.230 1.00 0.00 C ATOM 1863 CD1 LEU A 123 15.648 7.651 0.541 1.00 0.00 C ATOM 1864 CD2 LEU A 123 14.220 9.678 0.219 1.00 0.00 C ATOM 0 H LEU A 123 15.875 7.768 4.039 1.00 0.00 H new ATOM 0 HA LEU A 123 13.122 6.971 3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 123 13.124 7.314 1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 123 12.896 8.755 2.264 1.00 0.00 H new ATOM 0 HG LEU A 123 15.377 9.225 1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 123 16.456 8.157 0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 123 16.069 6.976 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 123 15.051 7.080 -0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 123 15.047 10.157 -0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 123 13.588 9.156 -0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 123 13.632 10.436 0.737 1.00 0.00 H new ATOM 1876 N CYS A 124 13.929 4.979 2.295 1.00 0.00 N ATOM 1877 CA CYS A 124 14.461 3.689 1.872 1.00 0.00 C ATOM 1878 C CYS A 124 14.943 3.748 0.425 1.00 0.00 C ATOM 1879 O CYS A 124 14.240 4.246 -0.455 1.00 0.00 O ATOM 1880 CB CYS A 124 13.396 2.601 2.022 1.00 0.00 C ATOM 1881 SG CYS A 124 13.064 2.118 3.747 1.00 0.00 S ATOM 0 H CYS A 124 12.928 5.094 2.137 1.00 0.00 H new ATOM 0 HA CYS A 124 15.311 3.447 2.510 1.00 0.00 H new ATOM 0 HB2 CYS A 124 12.468 2.951 1.569 1.00 0.00 H new ATOM 0 HB3 CYS A 124 13.711 1.720 1.463 1.00 0.00 H new ATOM 1886 N LEU A 125 16.146 3.238 0.187 1.00 0.00 N ATOM 1887 CA LEU A 125 16.723 3.231 -1.153 1.00 0.00 C ATOM 1888 C LEU A 125 17.300 1.861 -1.490 1.00 0.00 C ATOM 1889 O LEU A 125 17.572 1.052 -0.602 1.00 0.00 O ATOM 1890 CB LEU A 125 17.813 4.298 -1.265 1.00 0.00 C ATOM 1891 CG LEU A 125 17.341 5.703 -1.640 1.00 0.00 C ATOM 1892 CD1 LEU A 125 18.383 6.739 -1.248 1.00 0.00 C ATOM 1893 CD2 LEU A 125 17.040 5.785 -3.130 1.00 0.00 C ATOM 0 H LEU A 125 16.741 2.824 0.904 1.00 0.00 H new ATOM 0 HA LEU A 125 15.929 3.455 -1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 125 18.337 4.355 -0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 125 18.539 3.970 -2.008 1.00 0.00 H new ATOM 0 HG LEU A 125 16.423 5.915 -1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 125 18.029 7.733 -1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 125 18.550 6.698 -0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 125 19.318 6.530 -1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 125 16.705 6.792 -3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 125 17.941 5.552 -3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 125 16.257 5.070 -3.383 1.00 0.00 H new ATOM 1905 N THR A 126 17.488 1.605 -2.781 1.00 0.00 N ATOM 1906 CA THR A 126 18.035 0.333 -3.237 1.00 0.00 C ATOM 1907 C THR A 126 19.558 0.335 -3.175 1.00 0.00 C ATOM 1908 O THR A 126 20.201 1.340 -3.480 1.00 0.00 O ATOM 1909 CB THR A 126 17.591 0.015 -4.677 1.00 0.00 C ATOM 1910 OG1 THR A 126 18.231 -1.182 -5.134 1.00 0.00 O ATOM 1911 CG2 THR A 126 17.928 1.165 -5.614 1.00 0.00 C ATOM 0 H THR A 126 17.269 2.262 -3.530 1.00 0.00 H new ATOM 0 HA THR A 126 17.649 -0.435 -2.567 1.00 0.00 H new ATOM 0 HB THR A 126 16.510 -0.128 -4.677 1.00 0.00 H new ATOM 0 HG1 THR A 126 17.942 -1.378 -6.050 1.00 0.00 H new ATOM 0 HG21 THR A 126 17.605 0.917 -6.625 1.00 0.00 H new ATOM 0 HG22 THR A 126 17.416 2.068 -5.281 1.00 0.00 H new ATOM 0 HG23 THR A 126 19.005 1.335 -5.609 1.00 0.00 H new ATOM 1919 N THR A 127 20.131 -0.797 -2.780 1.00 0.00 N ATOM 1920 CA THR A 127 21.579 -0.926 -2.678 1.00 0.00 C ATOM 1921 C THR A 127 22.273 -0.304 -3.885 1.00 0.00 C ATOM 1922 O THR A 127 23.343 0.289 -3.760 1.00 0.00 O ATOM 1923 CB THR A 127 22.006 -2.401 -2.559 1.00 0.00 C ATOM 1924 OG1 THR A 127 21.354 -3.182 -3.566 1.00 0.00 O ATOM 1925 CG2 THR A 127 21.665 -2.953 -1.183 1.00 0.00 C ATOM 0 H THR A 127 19.614 -1.638 -2.525 1.00 0.00 H new ATOM 0 HA THR A 127 21.880 -0.395 -1.775 1.00 0.00 H new ATOM 0 HB THR A 127 23.086 -2.457 -2.699 1.00 0.00 H new ATOM 0 HG1 THR A 127 21.632 -4.118 -3.485 1.00 0.00 H new ATOM 0 HG21 THR A 127 21.976 -3.996 -1.122 1.00 0.00 H new ATOM 0 HG22 THR A 127 22.185 -2.374 -0.420 1.00 0.00 H new ATOM 0 HG23 THR A 127 20.589 -2.885 -1.020 1.00 0.00 H new ATOM 1933 N ASN A 128 21.655 -0.444 -5.053 1.00 0.00 N ATOM 1934 CA ASN A 128 22.214 0.105 -6.284 1.00 0.00 C ATOM 1935 C ASN A 128 22.593 1.571 -6.103 1.00 0.00 C ATOM 1936 O ASN A 128 23.638 2.017 -6.578 1.00 0.00 O ATOM 1937 CB ASN A 128 21.211 -0.036 -7.431 1.00 0.00 C ATOM 1938 CG ASN A 128 21.792 0.396 -8.763 1.00 0.00 C ATOM 1939 OD1 ASN A 128 22.843 -0.091 -9.182 1.00 0.00 O ATOM 1940 ND2 ASN A 128 21.110 1.315 -9.436 1.00 0.00 N ATOM 0 H ASN A 128 20.768 -0.932 -5.174 1.00 0.00 H new ATOM 0 HA ASN A 128 23.116 -0.458 -6.527 1.00 0.00 H new ATOM 0 HB2 ASN A 128 20.885 -1.074 -7.499 1.00 0.00 H new ATOM 0 HB3 ASN A 128 20.327 0.562 -7.212 1.00 0.00 H new ATOM 0 HD21 ASN A 128 21.452 1.645 -10.338 1.00 0.00 H new ATOM 0 HD22 ASN A 128 20.244 1.691 -9.051 1.00 0.00 H new ATOM 1947 N LEU A 129 21.738 2.317 -5.412 1.00 0.00 N ATOM 1948 CA LEU A 129 21.982 3.734 -5.166 1.00 0.00 C ATOM 1949 C LEU A 129 22.723 3.938 -3.849 1.00 0.00 C ATOM 1950 O LEU A 129 22.607 4.988 -3.216 1.00 0.00 O ATOM 1951 CB LEU A 129 20.661 4.504 -5.147 1.00 0.00 C ATOM 1952 CG LEU A 129 19.828 4.440 -6.427 1.00 0.00 C ATOM 1953 CD1 LEU A 129 18.491 5.138 -6.229 1.00 0.00 C ATOM 1954 CD2 LEU A 129 20.588 5.060 -7.590 1.00 0.00 C ATOM 0 H LEU A 129 20.869 1.964 -5.012 1.00 0.00 H new ATOM 0 HA LEU A 129 22.605 4.116 -5.975 1.00 0.00 H new ATOM 0 HB2 LEU A 129 20.055 4.126 -4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 129 20.877 5.550 -4.930 1.00 0.00 H new ATOM 0 HG LEU A 129 19.637 3.393 -6.661 1.00 0.00 H new ATOM 0 HD11 LEU A 129 17.912 5.082 -7.151 1.00 0.00 H new ATOM 0 HD12 LEU A 129 17.941 4.649 -5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 129 18.661 6.183 -5.970 1.00 0.00 H new ATOM 0 HD21 LEU A 129 19.980 5.005 -8.493 1.00 0.00 H new ATOM 0 HD22 LEU A 129 20.810 6.103 -7.365 1.00 0.00 H new ATOM 0 HD23 LEU A 129 21.520 4.516 -7.747 1.00 0.00 H new ATOM 1966 N ARG A 130 23.486 2.928 -3.442 1.00 0.00 N ATOM 1967 CA ARG A 130 24.246 2.998 -2.200 1.00 0.00 C ATOM 1968 C ARG A 130 25.242 4.153 -2.236 1.00 0.00 C ATOM 1969 O ARG A 130 26.398 3.978 -2.622 1.00 0.00 O ATOM 1970 CB ARG A 130 24.985 1.681 -1.955 1.00 0.00 C ATOM 1971 CG ARG A 130 25.799 1.208 -3.149 1.00 0.00 C ATOM 1972 CD ARG A 130 26.003 -0.299 -3.122 1.00 0.00 C ATOM 1973 NE ARG A 130 27.337 -0.662 -2.653 1.00 0.00 N ATOM 1974 CZ ARG A 130 27.798 -1.908 -2.642 1.00 0.00 C ATOM 1975 NH1 ARG A 130 27.037 -2.904 -3.073 1.00 0.00 N ATOM 1976 NH2 ARG A 130 29.024 -2.159 -2.200 1.00 0.00 N ATOM 0 H ARG A 130 23.594 2.052 -3.954 1.00 0.00 H new ATOM 0 HA ARG A 130 23.545 3.171 -1.384 1.00 0.00 H new ATOM 0 HB2 ARG A 130 25.648 1.800 -1.098 1.00 0.00 H new ATOM 0 HB3 ARG A 130 24.260 0.911 -1.692 1.00 0.00 H new ATOM 0 HG2 ARG A 130 25.292 1.491 -4.072 1.00 0.00 H new ATOM 0 HG3 ARG A 130 26.768 1.708 -3.151 1.00 0.00 H new ATOM 0 HD2 ARG A 130 25.254 -0.755 -2.474 1.00 0.00 H new ATOM 0 HD3 ARG A 130 25.848 -0.704 -4.122 1.00 0.00 H new ATOM 0 HE ARG A 130 27.948 0.081 -2.315 1.00 0.00 H new ATOM 0 HH11 ARG A 130 26.095 -2.715 -3.414 1.00 0.00 H new ATOM 0 HH12 ARG A 130 27.394 -3.860 -3.063 1.00 0.00 H new ATOM 0 HH21 ARG A 130 29.613 -1.395 -1.868 1.00 0.00 H new ATOM 0 HH22 ARG A 130 29.377 -3.116 -2.192 1.00 0.00 H new ATOM 1990 N GLY A 131 24.786 5.335 -1.832 1.00 0.00 N ATOM 1991 CA GLY A 131 25.649 6.501 -1.827 1.00 0.00 C ATOM 1992 C GLY A 131 25.443 7.380 -3.045 1.00 0.00 C ATOM 1993 O GLY A 131 25.258 8.591 -2.922 1.00 0.00 O ATOM 0 H GLY A 131 23.834 5.505 -1.508 1.00 0.00 H new ATOM 0 HA2 GLY A 131 25.461 7.084 -0.926 1.00 0.00 H new ATOM 0 HA3 GLY A 131 26.690 6.179 -1.787 1.00 0.00 H new ATOM 1997 N LYS A 132 25.477 6.771 -4.225 1.00 0.00 N ATOM 1998 CA LYS A 132 25.293 7.505 -5.471 1.00 0.00 C ATOM 1999 C LYS A 132 24.238 8.595 -5.310 1.00 0.00 C ATOM 2000 O LYS A 132 24.418 9.720 -5.776 1.00 0.00 O ATOM 2001 CB LYS A 132 24.886 6.549 -6.595 1.00 0.00 C ATOM 2002 CG LYS A 132 26.055 5.799 -7.209 1.00 0.00 C ATOM 2003 CD LYS A 132 25.603 4.515 -7.883 1.00 0.00 C ATOM 2004 CE LYS A 132 24.924 4.794 -9.216 1.00 0.00 C ATOM 2005 NZ LYS A 132 25.914 5.049 -10.299 1.00 0.00 N ATOM 0 H LYS A 132 25.630 5.770 -4.345 1.00 0.00 H new ATOM 0 HA LYS A 132 26.241 7.977 -5.729 1.00 0.00 H new ATOM 0 HB2 LYS A 132 24.167 5.828 -6.205 1.00 0.00 H new ATOM 0 HB3 LYS A 132 24.378 7.115 -7.376 1.00 0.00 H new ATOM 0 HG2 LYS A 132 26.555 6.437 -7.938 1.00 0.00 H new ATOM 0 HG3 LYS A 132 26.786 5.566 -6.435 1.00 0.00 H new ATOM 0 HD2 LYS A 132 26.463 3.864 -8.041 1.00 0.00 H new ATOM 0 HD3 LYS A 132 24.915 3.982 -7.227 1.00 0.00 H new ATOM 0 HE2 LYS A 132 24.297 3.945 -9.489 1.00 0.00 H new ATOM 0 HE3 LYS A 132 24.266 5.657 -9.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 25.413 5.235 -11.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 26.496 5.874 -10.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 26.526 4.216 -10.413 1.00 0.00 H new ATOM 2019 N HIS A 133 23.138 8.255 -4.646 1.00 0.00 N ATOM 2020 CA HIS A 133 22.056 9.206 -4.422 1.00 0.00 C ATOM 2021 C HIS A 133 22.542 10.400 -3.606 1.00 0.00 C ATOM 2022 O HIS A 133 23.536 10.310 -2.886 1.00 0.00 O ATOM 2023 CB HIS A 133 20.890 8.524 -3.704 1.00 0.00 C ATOM 2024 CG HIS A 133 21.173 8.210 -2.267 1.00 0.00 C ATOM 2025 ND1 HIS A 133 21.447 6.937 -1.815 1.00 0.00 N ATOM 2026 CD2 HIS A 133 21.225 9.013 -1.179 1.00 0.00 C ATOM 2027 CE1 HIS A 133 21.654 6.970 -0.511 1.00 0.00 C ATOM 2028 NE2 HIS A 133 21.525 8.219 -0.100 1.00 0.00 N ATOM 0 H HIS A 133 22.973 7.328 -4.254 1.00 0.00 H new ATOM 0 HA HIS A 133 21.715 9.566 -5.393 1.00 0.00 H new ATOM 0 HB2 HIS A 133 20.012 9.168 -3.761 1.00 0.00 H new ATOM 0 HB3 HIS A 133 20.642 7.601 -4.227 1.00 0.00 H new ATOM 0 HD1 HIS A 133 21.484 6.100 -2.397 1.00 0.00 H new ATOM 0 HD2 HIS A 133 21.061 10.080 -1.163 1.00 0.00 H new ATOM 0 HE1 HIS A 133 21.889 6.120 0.113 1.00 0.00 H new ATOM 2036 N LYS A 134 21.835 11.519 -3.726 1.00 0.00 N ATOM 2037 CA LYS A 134 22.194 12.732 -3.000 1.00 0.00 C ATOM 2038 C LYS A 134 21.369 12.866 -1.724 1.00 0.00 C ATOM 2039 O LYS A 134 20.157 12.650 -1.730 1.00 0.00 O ATOM 2040 CB LYS A 134 21.984 13.962 -3.887 1.00 0.00 C ATOM 2041 CG LYS A 134 20.524 14.341 -4.066 1.00 0.00 C ATOM 2042 CD LYS A 134 20.335 15.294 -5.234 1.00 0.00 C ATOM 2043 CE LYS A 134 18.871 15.659 -5.424 1.00 0.00 C ATOM 2044 NZ LYS A 134 18.069 14.500 -5.904 1.00 0.00 N ATOM 0 H LYS A 134 21.010 11.611 -4.319 1.00 0.00 H new ATOM 0 HA LYS A 134 23.247 12.664 -2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 134 22.520 14.807 -3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 134 22.424 13.773 -4.866 1.00 0.00 H new ATOM 0 HG2 LYS A 134 19.931 13.441 -4.230 1.00 0.00 H new ATOM 0 HG3 LYS A 134 20.153 14.806 -3.152 1.00 0.00 H new ATOM 0 HD2 LYS A 134 20.918 16.199 -5.064 1.00 0.00 H new ATOM 0 HD3 LYS A 134 20.718 14.835 -6.145 1.00 0.00 H new ATOM 0 HE2 LYS A 134 18.461 16.019 -4.480 1.00 0.00 H new ATOM 0 HE3 LYS A 134 18.791 16.478 -6.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 17.110 14.819 -6.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 18.523 14.088 -6.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 18.012 13.782 -5.153 1.00 0.00 H new ATOM 2058 N CYS A 135 22.034 13.225 -0.631 1.00 0.00 N ATOM 2059 CA CYS A 135 21.363 13.390 0.653 1.00 0.00 C ATOM 2060 C CYS A 135 21.248 14.866 1.022 1.00 0.00 C ATOM 2061 O CYS A 135 20.161 15.357 1.328 1.00 0.00 O ATOM 2062 CB CYS A 135 22.122 12.637 1.748 1.00 0.00 C ATOM 2063 SG CYS A 135 23.030 11.175 1.153 1.00 0.00 S ATOM 0 H CYS A 135 23.037 13.407 -0.609 1.00 0.00 H new ATOM 0 HA CYS A 135 20.358 12.977 0.565 1.00 0.00 H new ATOM 0 HB2 CYS A 135 22.826 13.320 2.223 1.00 0.00 H new ATOM 0 HB3 CYS A 135 21.415 12.324 2.516 1.00 0.00 H new ATOM 2068 N ILE A 136 22.376 15.568 0.990 1.00 0.00 N ATOM 2069 CA ILE A 136 22.401 16.988 1.319 1.00 0.00 C ATOM 2070 C ILE A 136 21.989 17.837 0.122 1.00 0.00 C ATOM 2071 O ILE A 136 22.330 17.525 -1.019 1.00 0.00 O ATOM 2072 CB ILE A 136 23.798 17.431 1.792 1.00 0.00 C ATOM 2073 CG1 ILE A 136 23.776 18.904 2.207 1.00 0.00 C ATOM 2074 CG2 ILE A 136 24.827 17.200 0.695 1.00 0.00 C ATOM 2075 CD1 ILE A 136 23.198 19.134 3.586 1.00 0.00 C ATOM 0 H ILE A 136 23.284 15.177 0.740 1.00 0.00 H new ATOM 0 HA ILE A 136 21.687 17.137 2.129 1.00 0.00 H new ATOM 0 HB ILE A 136 24.079 16.832 2.658 1.00 0.00 H new ATOM 0 HG12 ILE A 136 24.792 19.297 2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 136 23.195 19.470 1.479 1.00 0.00 H new ATOM 0 HG21 ILE A 136 25.809 17.518 1.045 1.00 0.00 H new ATOM 0 HG22 ILE A 136 24.858 16.140 0.442 1.00 0.00 H new ATOM 0 HG23 ILE A 136 24.552 17.776 -0.189 1.00 0.00 H new ATOM 0 HD11 ILE A 136 23.214 20.200 3.814 1.00 0.00 H new ATOM 0 HD12 ILE A 136 22.170 18.772 3.615 1.00 0.00 H new ATOM 0 HD13 ILE A 136 23.793 18.596 4.324 1.00 0.00 H new ATOM 2087 N GLU A 137 21.255 18.912 0.390 1.00 0.00 N ATOM 2088 CA GLU A 137 20.797 19.807 -0.666 1.00 0.00 C ATOM 2089 C GLU A 137 20.642 21.232 -0.143 1.00 0.00 C ATOM 2090 O GLU A 137 19.875 21.484 0.786 1.00 0.00 O ATOM 2091 CB GLU A 137 19.467 19.316 -1.241 1.00 0.00 C ATOM 2092 CG GLU A 137 19.621 18.219 -2.281 1.00 0.00 C ATOM 2093 CD GLU A 137 20.134 18.743 -3.609 1.00 0.00 C ATOM 2094 OE1 GLU A 137 20.859 19.760 -3.606 1.00 0.00 O ATOM 2095 OE2 GLU A 137 19.811 18.135 -4.651 1.00 0.00 O ATOM 0 H GLU A 137 20.965 19.184 1.329 1.00 0.00 H new ATOM 0 HA GLU A 137 21.548 19.808 -1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 137 18.843 18.948 -0.427 1.00 0.00 H new ATOM 0 HB3 GLU A 137 18.942 20.159 -1.690 1.00 0.00 H new ATOM 0 HG2 GLU A 137 20.307 17.460 -1.905 1.00 0.00 H new ATOM 0 HG3 GLU A 137 18.659 17.731 -2.434 1.00 0.00 H new ATOM 2102 N SER A 138 21.378 22.161 -0.746 1.00 0.00 N ATOM 2103 CA SER A 138 21.326 23.560 -0.338 1.00 0.00 C ATOM 2104 C SER A 138 20.762 24.431 -1.457 1.00 0.00 C ATOM 2105 O SER A 138 21.166 24.316 -2.613 1.00 0.00 O ATOM 2106 CB SER A 138 22.722 24.052 0.051 1.00 0.00 C ATOM 2107 OG SER A 138 22.658 25.319 0.683 1.00 0.00 O ATOM 0 H SER A 138 22.017 21.970 -1.518 1.00 0.00 H new ATOM 0 HA SER A 138 20.667 23.637 0.527 1.00 0.00 H new ATOM 0 HB2 SER A 138 23.192 23.331 0.721 1.00 0.00 H new ATOM 0 HB3 SER A 138 23.349 24.117 -0.838 1.00 0.00 H new ATOM 0 HG SER A 138 23.562 25.611 0.923 1.00 0.00 H new ATOM 2113 N GLY A 139 19.823 25.303 -1.102 1.00 0.00 N ATOM 2114 CA GLY A 139 19.217 26.181 -2.086 1.00 0.00 C ATOM 2115 C GLY A 139 19.042 27.596 -1.571 1.00 0.00 C ATOM 2116 O GLY A 139 19.223 27.875 -0.386 1.00 0.00 O ATOM 0 H GLY A 139 19.471 25.417 -0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 139 19.836 26.198 -2.983 1.00 0.00 H new ATOM 0 HA3 GLY A 139 18.246 25.781 -2.376 1.00 0.00 H new ATOM 2120 N PRO A 140 18.682 28.519 -2.475 1.00 0.00 N ATOM 2121 CA PRO A 140 18.476 29.929 -2.129 1.00 0.00 C ATOM 2122 C PRO A 140 17.231 30.139 -1.274 1.00 0.00 C ATOM 2123 O PRO A 140 16.614 29.179 -0.811 1.00 0.00 O ATOM 2124 CB PRO A 140 18.310 30.608 -3.490 1.00 0.00 C ATOM 2125 CG PRO A 140 17.815 29.532 -4.393 1.00 0.00 C ATOM 2126 CD PRO A 140 18.448 28.258 -3.906 1.00 0.00 C ATOM 0 HA PRO A 140 19.299 30.328 -1.536 1.00 0.00 H new ATOM 0 HB2 PRO A 140 17.603 31.436 -3.436 1.00 0.00 H new ATOM 0 HB3 PRO A 140 19.255 31.019 -3.845 1.00 0.00 H new ATOM 0 HG2 PRO A 140 16.728 29.465 -4.360 1.00 0.00 H new ATOM 0 HG3 PRO A 140 18.091 29.734 -5.428 1.00 0.00 H new ATOM 0 HD2 PRO A 140 17.792 27.400 -4.056 1.00 0.00 H new ATOM 0 HD3 PRO A 140 19.378 28.044 -4.433 1.00 0.00 H new ATOM 2134 N SER A 141 16.866 31.401 -1.069 1.00 0.00 N ATOM 2135 CA SER A 141 15.696 31.737 -0.266 1.00 0.00 C ATOM 2136 C SER A 141 14.582 32.306 -1.141 1.00 0.00 C ATOM 2137 O SER A 141 14.831 33.121 -2.029 1.00 0.00 O ATOM 2138 CB SER A 141 16.070 32.745 0.822 1.00 0.00 C ATOM 2139 OG SER A 141 15.063 32.819 1.816 1.00 0.00 O ATOM 0 H SER A 141 17.363 32.207 -1.448 1.00 0.00 H new ATOM 0 HA SER A 141 15.334 30.823 0.205 1.00 0.00 H new ATOM 0 HB2 SER A 141 17.016 32.457 1.279 1.00 0.00 H new ATOM 0 HB3 SER A 141 16.218 33.728 0.376 1.00 0.00 H new ATOM 0 HG SER A 141 15.326 33.469 2.501 1.00 0.00 H new ATOM 2145 N SER A 142 13.354 31.869 -0.883 1.00 0.00 N ATOM 2146 CA SER A 142 12.202 32.330 -1.648 1.00 0.00 C ATOM 2147 C SER A 142 10.917 32.183 -0.838 1.00 0.00 C ATOM 2148 O SER A 142 10.836 31.363 0.075 1.00 0.00 O ATOM 2149 CB SER A 142 12.085 31.547 -2.957 1.00 0.00 C ATOM 2150 OG SER A 142 11.207 32.194 -3.862 1.00 0.00 O ATOM 0 H SER A 142 13.131 31.196 -0.150 1.00 0.00 H new ATOM 0 HA SER A 142 12.348 33.386 -1.876 1.00 0.00 H new ATOM 0 HB2 SER A 142 13.070 31.444 -3.412 1.00 0.00 H new ATOM 0 HB3 SER A 142 11.722 30.540 -2.751 1.00 0.00 H new ATOM 0 HG SER A 142 11.151 31.675 -4.691 1.00 0.00 H new ATOM 2156 N GLY A 143 9.914 32.986 -1.180 1.00 0.00 N ATOM 2157 CA GLY A 143 8.646 32.931 -0.476 1.00 0.00 C ATOM 2158 C GLY A 143 7.569 33.751 -1.157 1.00 0.00 C ATOM 2159 O GLY A 143 7.465 33.705 -2.382 1.00 0.00 O ATOM 0 H GLY A 143 9.957 33.674 -1.932 1.00 0.00 H new ATOM 0 HA2 GLY A 143 8.318 31.894 -0.405 1.00 0.00 H new ATOM 0 HA3 GLY A 143 8.784 33.292 0.543 1.00 0.00 H new TER 2163 GLY A 143 HETATM 2164 ZN ZN A 191 -6.616 -2.945 -1.860 1.00 0.00 ZN HETATM 2165 ZN ZN A 241 -13.528 6.683 4.913 1.00 0.00 ZN HETATM 2166 ZN ZN A 291 -12.634 -15.713 11.026 1.00 0.00 ZN HETATM 2167 ZN ZN A 341 4.788 -1.989 8.928 1.00 0.00 ZN HETATM 2168 ZN ZN A 391 13.163 3.604 5.375 1.00 0.00 ZN HETATM 2169 ZN ZN A 441 21.363 9.486 1.349 1.00 0.00 ZN