USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 802 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 CYS SG : rot 144:sc= 0.207 USER MOD Set 1.2: A 66 CYS SG : rot 106:sc= -6.73! USER MOD Set 1.3: A 92 CYS SG : rot -99:sc= -3.15! USER MOD Set 1.4: A 95 CYS SG : rot 35:sc= 1.35 USER MOD Single : A 23 SER OG : rot -37:sc= 0.578 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 140:sc= 0.972 USER MOD Single : A 37 LYS NZ :NH3+ -137:sc= -0.337 (180deg=-1.48!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -2.45 K(o=-2.4,f=-0.63) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -163:sc= -0.0216 (180deg=-0.429) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -167:sc=-0.00718 (180deg=-0.202) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 156:sc= -0.0496 (180deg=-0.683) USER MOD Single : A 67 HIS : no HD1:sc= -2.72! C(o=-2.7!,f=-2.7!) USER MOD Single : A 75 ASN : amide:sc= -3.81! C(o=-3.8!,f=-7.3!) USER MOD Single : A 82 GLN : amide:sc= -0.502 X(o=-0.5,f=-0.56) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HE2:sc= -1.94! C(o=-1.9!,f=-8.3!) USER MOD Single : A 91 LYS NZ :NH3+ -156:sc= -6.11! (180deg=-6.75!) USER MOD Single : A 97 HIS : no HD1:sc= -0.241 X(o=-0.24,f=-0.051) USER MOD Single : A 99 MET CE :methyl 162:sc= -0.266 (180deg=-0.845) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 16 -19.407 -18.759 1.231 1.00 0.00 N ATOM 24 CA GLU A 16 -19.998 -18.823 -0.102 1.00 0.00 C ATOM 25 C GLU A 16 -21.089 -17.765 -0.253 1.00 0.00 C ATOM 26 O GLU A 16 -21.274 -17.233 -1.346 1.00 0.00 O ATOM 27 CB GLU A 16 -20.588 -20.213 -0.358 1.00 0.00 C ATOM 28 CG GLU A 16 -19.467 -21.260 -0.453 1.00 0.00 C ATOM 29 CD GLU A 16 -20.015 -22.681 -0.629 1.00 0.00 C ATOM 30 OE1 GLU A 16 -21.224 -22.846 -0.702 1.00 0.00 O ATOM 31 OE2 GLU A 16 -19.204 -23.569 -0.836 1.00 0.00 O ATOM 0 HA GLU A 16 -19.213 -18.630 -0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -21.275 -20.478 0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -21.167 -20.205 -1.282 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.816 -21.017 -1.292 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.855 -21.217 0.448 1.00 0.00 H new ATOM 38 N ARG A 17 -21.886 -17.547 0.797 1.00 0.00 N ATOM 39 CA ARG A 17 -22.978 -16.579 0.713 1.00 0.00 C ATOM 40 C ARG A 17 -22.428 -15.175 0.473 1.00 0.00 C ATOM 41 O ARG A 17 -22.881 -14.461 -0.417 1.00 0.00 O ATOM 42 CB ARG A 17 -23.708 -16.518 2.061 1.00 0.00 C ATOM 43 CG ARG A 17 -24.529 -17.781 2.336 1.00 0.00 C ATOM 44 CD ARG A 17 -25.183 -17.652 3.718 1.00 0.00 C ATOM 45 NE ARG A 17 -26.003 -18.824 4.020 1.00 0.00 N ATOM 46 CZ ARG A 17 -25.585 -19.818 4.807 1.00 0.00 C ATOM 47 NH1 ARG A 17 -24.337 -19.899 5.185 1.00 0.00 N ATOM 48 NH2 ARG A 17 -26.432 -20.739 5.182 1.00 0.00 N ATOM 0 H ARG A 17 -21.798 -18.018 1.697 1.00 0.00 H new ATOM 0 HA ARG A 17 -23.636 -16.889 -0.099 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -22.980 -16.380 2.860 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -24.366 -15.649 2.076 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -25.291 -17.911 1.568 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -23.889 -18.663 2.302 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -24.412 -17.537 4.480 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -25.800 -16.754 3.750 1.00 0.00 H new ATOM 0 HE ARG A 17 -26.936 -18.885 3.611 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -23.665 -19.196 4.879 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -24.035 -20.665 5.787 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -27.403 -20.695 4.874 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -26.122 -21.502 5.783 1.00 0.00 H new ATOM 62 N ILE A 18 -21.375 -14.846 1.220 1.00 0.00 N ATOM 63 CA ILE A 18 -20.684 -13.571 1.065 1.00 0.00 C ATOM 64 C ILE A 18 -20.037 -13.491 -0.312 1.00 0.00 C ATOM 65 O ILE A 18 -19.959 -12.420 -0.900 1.00 0.00 O ATOM 66 CB ILE A 18 -19.658 -13.403 2.198 1.00 0.00 C ATOM 67 CG1 ILE A 18 -20.436 -13.250 3.510 1.00 0.00 C ATOM 68 CG2 ILE A 18 -18.798 -12.158 1.960 1.00 0.00 C ATOM 69 CD1 ILE A 18 -19.506 -13.346 4.721 1.00 0.00 C ATOM 0 H ILE A 18 -20.982 -15.450 1.942 1.00 0.00 H new ATOM 0 HA ILE A 18 -21.397 -12.749 1.135 1.00 0.00 H new ATOM 0 HB ILE A 18 -18.997 -14.269 2.237 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -20.952 -12.290 3.520 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -21.201 -14.024 3.574 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -18.077 -12.053 2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -18.267 -12.258 1.013 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -19.437 -11.275 1.927 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -20.087 -13.234 5.636 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -19.010 -14.317 4.723 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -18.757 -12.556 4.668 1.00 0.00 H new ATOM 81 N ASP A 19 -19.406 -14.596 -0.709 1.00 0.00 N ATOM 82 CA ASP A 19 -18.676 -14.663 -1.970 1.00 0.00 C ATOM 83 C ASP A 19 -19.611 -14.436 -3.157 1.00 0.00 C ATOM 84 O ASP A 19 -19.385 -13.542 -3.967 1.00 0.00 O ATOM 85 CB ASP A 19 -18.023 -16.049 -2.067 1.00 0.00 C ATOM 86 CG ASP A 19 -17.208 -16.242 -3.348 1.00 0.00 C ATOM 87 OD1 ASP A 19 -17.094 -15.309 -4.128 1.00 0.00 O ATOM 88 OD2 ASP A 19 -16.559 -17.269 -3.445 1.00 0.00 O ATOM 0 H ASP A 19 -19.387 -15.461 -0.169 1.00 0.00 H new ATOM 0 HA ASP A 19 -17.917 -13.881 -1.997 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -17.374 -16.199 -1.205 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.799 -16.813 -2.019 1.00 0.00 H new ATOM 93 N ILE A 20 -20.751 -15.125 -3.142 1.00 0.00 N ATOM 94 CA ILE A 20 -21.793 -14.914 -4.138 1.00 0.00 C ATOM 95 C ILE A 20 -22.378 -13.509 -4.043 1.00 0.00 C ATOM 96 O ILE A 20 -22.670 -12.877 -5.056 1.00 0.00 O ATOM 97 CB ILE A 20 -22.880 -15.981 -3.973 1.00 0.00 C ATOM 98 CG1 ILE A 20 -22.305 -17.359 -4.335 1.00 0.00 C ATOM 99 CG2 ILE A 20 -24.095 -15.652 -4.846 1.00 0.00 C ATOM 100 CD1 ILE A 20 -21.847 -17.434 -5.800 1.00 0.00 C ATOM 0 H ILE A 20 -20.974 -15.837 -2.446 1.00 0.00 H new ATOM 0 HA ILE A 20 -21.353 -15.007 -5.131 1.00 0.00 H new ATOM 0 HB ILE A 20 -23.210 -15.997 -2.934 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -21.462 -17.581 -3.681 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -23.060 -18.124 -4.153 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -24.856 -16.421 -4.715 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -24.503 -14.685 -4.553 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -23.792 -15.616 -5.892 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -21.449 -18.427 -6.006 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -22.695 -17.240 -6.457 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -21.072 -16.688 -5.978 1.00 0.00 H new ATOM 112 N LEU A 21 -22.629 -13.066 -2.815 1.00 0.00 N ATOM 113 CA LEU A 21 -23.174 -11.737 -2.560 1.00 0.00 C ATOM 114 C LEU A 21 -22.197 -10.671 -3.049 1.00 0.00 C ATOM 115 O LEU A 21 -22.612 -9.618 -3.526 1.00 0.00 O ATOM 116 CB LEU A 21 -23.509 -11.575 -1.074 1.00 0.00 C ATOM 117 CG LEU A 21 -24.077 -10.179 -0.782 1.00 0.00 C ATOM 118 CD1 LEU A 21 -25.318 -9.917 -1.646 1.00 0.00 C ATOM 119 CD2 LEU A 21 -24.470 -10.092 0.697 1.00 0.00 C ATOM 0 H LEU A 21 -22.461 -13.615 -1.972 1.00 0.00 H new ATOM 0 HA LEU A 21 -24.104 -11.612 -3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -24.232 -12.334 -0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -22.612 -11.738 -0.476 1.00 0.00 H new ATOM 0 HG LEU A 21 -23.317 -9.433 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -25.710 -8.923 -1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -25.047 -9.977 -2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -26.080 -10.664 -1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -24.874 -9.102 0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -25.225 -10.847 0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -23.591 -10.265 1.318 1.00 0.00 H new ATOM 131 N PHE A 22 -20.908 -10.899 -2.801 1.00 0.00 N ATOM 132 CA PHE A 22 -19.868 -9.933 -3.134 1.00 0.00 C ATOM 133 C PHE A 22 -19.859 -9.634 -4.632 1.00 0.00 C ATOM 134 O PHE A 22 -19.654 -8.484 -5.019 1.00 0.00 O ATOM 135 CB PHE A 22 -18.507 -10.519 -2.735 1.00 0.00 C ATOM 136 CG PHE A 22 -17.372 -9.582 -3.087 1.00 0.00 C ATOM 137 CD1 PHE A 22 -17.095 -8.460 -2.288 1.00 0.00 C ATOM 138 CD2 PHE A 22 -16.467 -9.962 -4.086 1.00 0.00 C ATOM 139 CE1 PHE A 22 -15.940 -7.699 -2.530 1.00 0.00 C ATOM 140 CE2 PHE A 22 -15.397 -9.123 -4.405 1.00 0.00 C ATOM 141 CZ PHE A 22 -15.043 -8.094 -3.530 1.00 0.00 C ATOM 0 H PHE A 22 -20.559 -11.753 -2.366 1.00 0.00 H new ATOM 0 HA PHE A 22 -20.064 -9.005 -2.596 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -18.496 -10.718 -1.663 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -18.360 -11.475 -3.238 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -17.768 -8.184 -1.490 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -16.596 -10.899 -4.607 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -15.744 -6.812 -1.946 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -14.847 -9.269 -5.323 1.00 0.00 H new ATOM 0 HZ PHE A 22 -14.084 -7.606 -3.624 1.00 0.00 H new ATOM 151 N SER A 23 -19.927 -10.676 -5.458 1.00 0.00 N ATOM 152 CA SER A 23 -19.953 -10.477 -6.906 1.00 0.00 C ATOM 153 C SER A 23 -21.189 -9.684 -7.325 1.00 0.00 C ATOM 154 O SER A 23 -21.138 -8.894 -8.264 1.00 0.00 O ATOM 155 CB SER A 23 -19.959 -11.836 -7.615 1.00 0.00 C ATOM 156 OG SER A 23 -21.105 -12.574 -7.220 1.00 0.00 O ATOM 0 H SER A 23 -19.965 -11.650 -5.157 1.00 0.00 H new ATOM 0 HA SER A 23 -19.064 -9.914 -7.190 1.00 0.00 H new ATOM 0 HB2 SER A 23 -19.960 -11.694 -8.696 1.00 0.00 H new ATOM 0 HB3 SER A 23 -19.054 -12.391 -7.368 1.00 0.00 H new ATOM 0 HG SER A 23 -21.294 -12.402 -6.274 1.00 0.00 H new ATOM 162 N LEU A 24 -22.325 -10.014 -6.712 1.00 0.00 N ATOM 163 CA LEU A 24 -23.577 -9.299 -6.943 1.00 0.00 C ATOM 164 C LEU A 24 -23.490 -7.843 -6.492 1.00 0.00 C ATOM 165 O LEU A 24 -23.920 -6.939 -7.208 1.00 0.00 O ATOM 166 CB LEU A 24 -24.717 -10.016 -6.206 1.00 0.00 C ATOM 167 CG LEU A 24 -24.981 -11.367 -6.879 1.00 0.00 C ATOM 168 CD1 LEU A 24 -25.932 -12.206 -6.020 1.00 0.00 C ATOM 169 CD2 LEU A 24 -25.590 -11.158 -8.272 1.00 0.00 C ATOM 0 H LEU A 24 -22.402 -10.781 -6.044 1.00 0.00 H new ATOM 0 HA LEU A 24 -23.774 -9.296 -8.015 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -24.453 -10.163 -5.159 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -25.619 -9.405 -6.224 1.00 0.00 H new ATOM 0 HG LEU A 24 -24.033 -11.894 -6.983 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -26.113 -13.164 -6.507 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -25.484 -12.376 -5.041 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -26.877 -11.676 -5.900 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -25.772 -12.126 -8.738 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -26.532 -10.617 -8.180 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -24.899 -10.583 -8.888 1.00 0.00 H new ATOM 181 N ALA A 25 -22.863 -7.636 -5.337 1.00 0.00 N ATOM 182 CA ALA A 25 -22.614 -6.293 -4.824 1.00 0.00 C ATOM 183 C ALA A 25 -21.696 -5.534 -5.774 1.00 0.00 C ATOM 184 O ALA A 25 -21.726 -4.304 -5.809 1.00 0.00 O ATOM 185 CB ALA A 25 -21.979 -6.369 -3.433 1.00 0.00 C ATOM 0 H ALA A 25 -22.517 -8.385 -4.737 1.00 0.00 H new ATOM 0 HA ALA A 25 -23.564 -5.764 -4.749 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -21.798 -5.361 -3.060 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -22.653 -6.891 -2.754 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -21.034 -6.909 -3.493 1.00 0.00 H new ATOM 191 N GLU A 26 -20.735 -6.251 -6.349 1.00 0.00 N ATOM 192 CA GLU A 26 -19.809 -5.646 -7.296 1.00 0.00 C ATOM 193 C GLU A 26 -20.516 -5.190 -8.573 1.00 0.00 C ATOM 194 O GLU A 26 -20.006 -4.292 -9.233 1.00 0.00 O ATOM 195 CB GLU A 26 -18.710 -6.658 -7.644 1.00 0.00 C ATOM 196 CG GLU A 26 -17.665 -6.019 -8.569 1.00 0.00 C ATOM 197 CD GLU A 26 -16.519 -6.980 -8.891 1.00 0.00 C ATOM 198 OE1 GLU A 26 -16.722 -8.180 -8.818 1.00 0.00 O ATOM 199 OE2 GLU A 26 -15.526 -6.506 -9.419 1.00 0.00 O ATOM 0 H GLU A 26 -20.579 -7.244 -6.176 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.375 -4.762 -6.828 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -18.230 -7.010 -6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -19.150 -7.529 -8.129 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -18.145 -5.704 -9.496 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.264 -5.122 -8.097 1.00 0.00 H new ATOM 206 N ARG A 27 -21.427 -6.009 -9.107 1.00 0.00 N ATOM 207 CA ARG A 27 -22.113 -5.624 -10.342 1.00 0.00 C ATOM 208 C ARG A 27 -23.016 -4.407 -10.141 1.00 0.00 C ATOM 209 O ARG A 27 -23.074 -3.523 -10.992 1.00 0.00 O ATOM 210 CB ARG A 27 -22.967 -6.777 -10.886 1.00 0.00 C ATOM 211 CG ARG A 27 -23.578 -6.349 -12.225 1.00 0.00 C ATOM 212 CD ARG A 27 -24.469 -7.462 -12.776 1.00 0.00 C ATOM 213 NE ARG A 27 -25.604 -7.667 -11.881 1.00 0.00 N ATOM 214 CZ ARG A 27 -26.723 -6.949 -11.981 1.00 0.00 C ATOM 215 NH1 ARG A 27 -26.812 -5.952 -12.821 1.00 0.00 N ATOM 216 NH2 ARG A 27 -27.746 -7.236 -11.224 1.00 0.00 N ATOM 0 H ARG A 27 -21.700 -6.912 -8.719 1.00 0.00 H new ATOM 0 HA ARG A 27 -21.330 -5.372 -11.058 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -22.356 -7.670 -11.018 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -23.754 -7.032 -10.176 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -24.161 -5.438 -12.093 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -22.786 -6.120 -12.938 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -24.822 -7.199 -13.773 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -23.898 -8.385 -12.873 1.00 0.00 H new ATOM 0 HE ARG A 27 -25.539 -8.382 -11.156 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -26.017 -5.712 -13.414 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -27.676 -5.414 -12.884 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -27.688 -8.007 -10.559 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -28.604 -6.689 -11.297 1.00 0.00 H new ATOM 230 N VAL A 28 -23.760 -4.401 -9.038 1.00 0.00 N ATOM 231 CA VAL A 28 -24.658 -3.293 -8.717 1.00 0.00 C ATOM 232 C VAL A 28 -23.839 -2.026 -8.473 1.00 0.00 C ATOM 233 O VAL A 28 -24.321 -0.913 -8.650 1.00 0.00 O ATOM 234 CB VAL A 28 -25.549 -3.658 -7.520 1.00 0.00 C ATOM 235 CG1 VAL A 28 -24.692 -3.916 -6.277 1.00 0.00 C ATOM 236 CG2 VAL A 28 -26.563 -2.545 -7.227 1.00 0.00 C ATOM 0 H VAL A 28 -23.759 -5.153 -8.349 1.00 0.00 H new ATOM 0 HA VAL A 28 -25.324 -3.098 -9.557 1.00 0.00 H new ATOM 0 HB VAL A 28 -26.096 -4.566 -7.775 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -25.337 -4.173 -5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -24.005 -4.740 -6.473 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -24.122 -3.019 -6.035 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -27.180 -2.830 -6.375 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -26.033 -1.621 -6.998 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -27.198 -2.392 -8.100 1.00 0.00 H new ATOM 246 N PHE A 29 -22.688 -2.228 -7.842 1.00 0.00 N ATOM 247 CA PHE A 29 -21.843 -1.137 -7.372 1.00 0.00 C ATOM 248 C PHE A 29 -21.626 -0.053 -8.438 1.00 0.00 C ATOM 249 O PHE A 29 -22.130 1.057 -8.274 1.00 0.00 O ATOM 250 CB PHE A 29 -20.540 -1.771 -6.867 1.00 0.00 C ATOM 251 CG PHE A 29 -19.435 -0.765 -6.664 1.00 0.00 C ATOM 252 CD1 PHE A 29 -19.707 0.388 -5.924 1.00 0.00 C ATOM 253 CD2 PHE A 29 -18.116 -1.244 -6.692 1.00 0.00 C ATOM 254 CE1 PHE A 29 -18.662 1.258 -5.622 1.00 0.00 C ATOM 255 CE2 PHE A 29 -17.085 -0.482 -6.140 1.00 0.00 C ATOM 256 CZ PHE A 29 -17.368 0.751 -5.556 1.00 0.00 C ATOM 0 H PHE A 29 -22.314 -3.155 -7.642 1.00 0.00 H new ATOM 0 HA PHE A 29 -22.329 -0.598 -6.559 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -20.734 -2.285 -5.925 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -20.210 -2.526 -7.580 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -20.712 0.602 -5.591 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -17.899 -2.202 -7.141 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -18.852 2.306 -5.443 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.069 -0.848 -6.166 1.00 0.00 H new ATOM 0 HZ PHE A 29 -16.590 1.308 -5.056 1.00 0.00 H new ATOM 266 N PRO A 30 -21.064 -0.386 -9.614 1.00 0.00 N ATOM 267 CA PRO A 30 -20.974 0.563 -10.769 1.00 0.00 C ATOM 268 C PRO A 30 -22.329 1.037 -11.298 1.00 0.00 C ATOM 269 O PRO A 30 -22.421 2.118 -11.873 1.00 0.00 O ATOM 270 CB PRO A 30 -20.236 -0.238 -11.850 1.00 0.00 C ATOM 271 CG PRO A 30 -20.447 -1.672 -11.497 1.00 0.00 C ATOM 272 CD PRO A 30 -20.566 -1.722 -9.974 1.00 0.00 C ATOM 0 HA PRO A 30 -20.470 1.481 -10.466 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -20.631 -0.016 -12.841 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -19.175 0.010 -11.866 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -21.348 -2.061 -11.971 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -19.615 -2.285 -11.843 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -21.253 -2.505 -9.652 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -19.604 -1.930 -9.505 1.00 0.00 H new ATOM 280 N TYR A 31 -23.341 0.177 -11.203 1.00 0.00 N ATOM 281 CA TYR A 31 -24.688 0.530 -11.648 1.00 0.00 C ATOM 282 C TYR A 31 -25.277 1.682 -10.838 1.00 0.00 C ATOM 283 O TYR A 31 -26.020 2.501 -11.372 1.00 0.00 O ATOM 284 CB TYR A 31 -25.600 -0.698 -11.579 1.00 0.00 C ATOM 285 CG TYR A 31 -25.424 -1.553 -12.815 1.00 0.00 C ATOM 286 CD1 TYR A 31 -24.141 -1.864 -13.297 1.00 0.00 C ATOM 287 CD2 TYR A 31 -26.547 -2.147 -13.411 1.00 0.00 C ATOM 288 CE1 TYR A 31 -24.008 -2.609 -14.475 1.00 0.00 C ATOM 289 CE2 TYR A 31 -26.398 -2.970 -14.534 1.00 0.00 C ATOM 290 CZ TYR A 31 -25.117 -3.278 -15.006 1.00 0.00 C ATOM 291 OH TYR A 31 -24.970 -4.082 -16.118 1.00 0.00 O ATOM 0 H TYR A 31 -23.255 -0.766 -10.823 1.00 0.00 H new ATOM 0 HA TYR A 31 -24.617 0.869 -12.681 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -25.368 -1.282 -10.688 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -26.640 -0.383 -11.492 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -23.264 -1.531 -12.762 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -27.530 -1.969 -13.002 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -23.051 -2.667 -14.973 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -27.269 -3.366 -15.035 1.00 0.00 H new ATOM 0 HH TYR A 31 -25.837 -4.473 -16.356 1.00 0.00 H new ATOM 301 N SER A 32 -25.100 1.616 -9.522 1.00 0.00 N ATOM 302 CA SER A 32 -25.704 2.593 -8.620 1.00 0.00 C ATOM 303 C SER A 32 -25.041 2.499 -7.248 1.00 0.00 C ATOM 304 O SER A 32 -24.918 1.408 -6.693 1.00 0.00 O ATOM 305 CB SER A 32 -27.213 2.350 -8.507 1.00 0.00 C ATOM 306 OG SER A 32 -27.656 2.614 -7.185 1.00 0.00 O ATOM 0 H SER A 32 -24.545 0.898 -9.056 1.00 0.00 H new ATOM 0 HA SER A 32 -25.550 3.595 -9.020 1.00 0.00 H new ATOM 0 HB2 SER A 32 -27.745 2.990 -9.211 1.00 0.00 H new ATOM 0 HB3 SER A 32 -27.444 1.319 -8.776 1.00 0.00 H new ATOM 0 HG SER A 32 -28.521 3.074 -7.216 1.00 0.00 H new ATOM 312 N PRO A 33 -24.487 3.607 -6.743 1.00 0.00 N ATOM 313 CA PRO A 33 -24.011 3.688 -5.332 1.00 0.00 C ATOM 314 C PRO A 33 -25.095 3.307 -4.325 1.00 0.00 C ATOM 315 O PRO A 33 -24.864 2.475 -3.451 1.00 0.00 O ATOM 316 CB PRO A 33 -23.619 5.161 -5.173 1.00 0.00 C ATOM 317 CG PRO A 33 -23.343 5.654 -6.551 1.00 0.00 C ATOM 318 CD PRO A 33 -24.289 4.877 -7.463 1.00 0.00 C ATOM 0 HA PRO A 33 -23.194 2.993 -5.138 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -24.422 5.732 -4.706 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -22.741 5.266 -4.536 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -23.520 6.727 -6.626 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -22.303 5.482 -6.828 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -25.230 5.406 -7.611 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -23.855 4.716 -8.450 1.00 0.00 H new ATOM 326 N GLU A 34 -26.317 3.781 -4.571 1.00 0.00 N ATOM 327 CA GLU A 34 -27.409 3.585 -3.621 1.00 0.00 C ATOM 328 C GLU A 34 -27.862 2.129 -3.532 1.00 0.00 C ATOM 329 O GLU A 34 -28.345 1.703 -2.484 1.00 0.00 O ATOM 330 CB GLU A 34 -28.604 4.460 -4.014 1.00 0.00 C ATOM 331 CG GLU A 34 -28.250 5.936 -3.803 1.00 0.00 C ATOM 332 CD GLU A 34 -29.371 6.873 -4.260 1.00 0.00 C ATOM 333 OE1 GLU A 34 -30.403 6.397 -4.710 1.00 0.00 O ATOM 334 OE2 GLU A 34 -29.200 8.072 -4.105 1.00 0.00 O ATOM 0 H GLU A 34 -26.573 4.298 -5.412 1.00 0.00 H new ATOM 0 HA GLU A 34 -27.029 3.872 -2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -28.869 4.284 -5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -29.475 4.195 -3.414 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -28.042 6.110 -2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -27.337 6.170 -4.351 1.00 0.00 H new ATOM 341 N LEU A 35 -28.000 1.482 -4.685 1.00 0.00 N ATOM 342 CA LEU A 35 -28.407 0.079 -4.726 1.00 0.00 C ATOM 343 C LEU A 35 -27.351 -0.798 -4.052 1.00 0.00 C ATOM 344 O LEU A 35 -27.640 -1.460 -3.056 1.00 0.00 O ATOM 345 CB LEU A 35 -28.664 -0.380 -6.167 1.00 0.00 C ATOM 346 CG LEU A 35 -29.922 0.299 -6.728 1.00 0.00 C ATOM 347 CD1 LEU A 35 -30.018 0.024 -8.234 1.00 0.00 C ATOM 348 CD2 LEU A 35 -31.178 -0.232 -6.028 1.00 0.00 C ATOM 0 H LEU A 35 -27.837 1.903 -5.600 1.00 0.00 H new ATOM 0 HA LEU A 35 -29.343 -0.023 -4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -27.804 -0.139 -6.791 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -28.784 -1.463 -6.195 1.00 0.00 H new ATOM 0 HG LEU A 35 -29.852 1.372 -6.551 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -30.910 0.505 -8.635 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -29.135 0.423 -8.734 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -30.077 -1.051 -8.405 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -32.059 0.261 -6.439 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -31.256 -1.307 -6.187 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -31.113 -0.027 -4.959 1.00 0.00 H new ATOM 360 N ALA A 36 -26.102 -0.457 -4.348 1.00 0.00 N ATOM 361 CA ALA A 36 -24.930 -1.141 -3.808 1.00 0.00 C ATOM 362 C ALA A 36 -24.862 -1.010 -2.289 1.00 0.00 C ATOM 363 O ALA A 36 -24.556 -1.976 -1.590 1.00 0.00 O ATOM 364 CB ALA A 36 -23.663 -0.574 -4.441 1.00 0.00 C ATOM 0 H ALA A 36 -25.871 0.312 -4.977 1.00 0.00 H new ATOM 0 HA ALA A 36 -25.013 -2.201 -4.049 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.792 -1.088 -4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -23.699 -0.720 -5.521 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -23.591 0.491 -4.221 1.00 0.00 H new ATOM 370 N LYS A 37 -25.316 0.138 -1.800 1.00 0.00 N ATOM 371 CA LYS A 37 -25.389 0.402 -0.367 1.00 0.00 C ATOM 372 C LYS A 37 -26.253 -0.624 0.353 1.00 0.00 C ATOM 373 O LYS A 37 -25.832 -1.176 1.371 1.00 0.00 O ATOM 374 CB LYS A 37 -26.023 1.789 -0.211 1.00 0.00 C ATOM 375 CG LYS A 37 -26.266 2.145 1.259 1.00 0.00 C ATOM 376 CD LYS A 37 -24.995 2.292 2.097 1.00 0.00 C ATOM 377 CE LYS A 37 -25.416 2.878 3.449 1.00 0.00 C ATOM 378 NZ LYS A 37 -26.027 4.219 3.240 1.00 0.00 N ATOM 0 H LYS A 37 -25.643 0.909 -2.382 1.00 0.00 H new ATOM 0 HA LYS A 37 -24.392 0.349 0.070 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -25.373 2.538 -0.663 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -26.968 1.819 -0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -26.826 3.079 1.305 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -26.894 1.375 1.707 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -24.507 1.327 2.230 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -24.278 2.946 1.600 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -26.128 2.214 3.939 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -24.551 2.959 4.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -25.672 4.878 3.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -25.775 4.572 2.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -27.062 4.145 3.317 1.00 0.00 H new ATOM 392 N ARG A 38 -27.424 -0.920 -0.193 1.00 0.00 N ATOM 393 CA ARG A 38 -28.282 -1.932 0.404 1.00 0.00 C ATOM 394 C ARG A 38 -27.637 -3.319 0.358 1.00 0.00 C ATOM 395 O ARG A 38 -27.523 -3.976 1.390 1.00 0.00 O ATOM 396 CB ARG A 38 -29.619 -1.912 -0.340 1.00 0.00 C ATOM 397 CG ARG A 38 -30.601 -2.894 0.300 1.00 0.00 C ATOM 398 CD ARG A 38 -31.929 -2.815 -0.454 1.00 0.00 C ATOM 399 NE ARG A 38 -32.941 -3.628 0.210 1.00 0.00 N ATOM 400 CZ ARG A 38 -33.863 -3.093 1.007 1.00 0.00 C ATOM 401 NH1 ARG A 38 -33.849 -1.811 1.273 1.00 0.00 N ATOM 402 NH2 ARG A 38 -34.660 -3.878 1.679 1.00 0.00 N ATOM 0 H ARG A 38 -27.797 -0.482 -1.035 1.00 0.00 H new ATOM 0 HA ARG A 38 -28.439 -1.707 1.459 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -30.037 -0.906 -0.322 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -29.464 -2.174 -1.387 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -30.203 -3.908 0.260 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -30.748 -2.651 1.352 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -32.263 -1.779 -0.507 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -31.793 -3.159 -1.479 1.00 0.00 H new ATOM 0 HE ARG A 38 -32.942 -4.637 0.059 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -33.128 -1.214 0.868 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -34.559 -1.409 1.885 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -34.573 -4.890 1.590 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -35.370 -3.479 2.293 1.00 0.00 H new ATOM 416 N TYR A 39 -27.042 -3.670 -0.785 1.00 0.00 N ATOM 417 CA TYR A 39 -26.392 -4.972 -0.936 1.00 0.00 C ATOM 418 C TYR A 39 -25.209 -5.208 0.002 1.00 0.00 C ATOM 419 O TYR A 39 -24.964 -6.357 0.378 1.00 0.00 O ATOM 420 CB TYR A 39 -25.949 -5.196 -2.384 1.00 0.00 C ATOM 421 CG TYR A 39 -27.159 -5.486 -3.243 1.00 0.00 C ATOM 422 CD1 TYR A 39 -27.665 -6.792 -3.277 1.00 0.00 C ATOM 423 CD2 TYR A 39 -27.732 -4.492 -4.047 1.00 0.00 C ATOM 424 CE1 TYR A 39 -28.795 -7.085 -4.040 1.00 0.00 C ATOM 425 CE2 TYR A 39 -28.776 -4.829 -4.919 1.00 0.00 C ATOM 426 CZ TYR A 39 -29.292 -6.129 -4.933 1.00 0.00 C ATOM 427 OH TYR A 39 -30.390 -6.429 -5.712 1.00 0.00 O ATOM 0 H TYR A 39 -26.997 -3.075 -1.613 1.00 0.00 H new ATOM 0 HA TYR A 39 -27.155 -5.698 -0.654 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -25.428 -4.314 -2.757 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -25.246 -6.027 -2.436 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -27.179 -7.573 -2.711 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -27.372 -3.475 -3.995 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -29.283 -8.043 -3.942 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -29.184 -4.082 -5.583 1.00 0.00 H new ATOM 0 HH TYR A 39 -30.610 -5.659 -6.277 1.00 0.00 H new ATOM 437 N VAL A 40 -24.323 -4.228 0.125 1.00 0.00 N ATOM 438 CA VAL A 40 -23.164 -4.369 1.005 1.00 0.00 C ATOM 439 C VAL A 40 -23.643 -4.484 2.451 1.00 0.00 C ATOM 440 O VAL A 40 -23.194 -5.346 3.201 1.00 0.00 O ATOM 441 CB VAL A 40 -22.194 -3.203 0.836 1.00 0.00 C ATOM 442 CG1 VAL A 40 -21.059 -3.344 1.858 1.00 0.00 C ATOM 443 CG2 VAL A 40 -21.627 -3.201 -0.589 1.00 0.00 C ATOM 0 H VAL A 40 -24.380 -3.336 -0.366 1.00 0.00 H new ATOM 0 HA VAL A 40 -22.621 -5.275 0.735 1.00 0.00 H new ATOM 0 HB VAL A 40 -22.716 -2.261 1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.361 -2.514 1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.474 -3.333 2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.534 -4.285 1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -20.935 -2.367 -0.704 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -21.100 -4.137 -0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -22.442 -3.098 -1.305 1.00 0.00 H new ATOM 453 N GLU A 41 -24.597 -3.628 2.803 1.00 0.00 N ATOM 454 CA GLU A 41 -25.063 -3.497 4.178 1.00 0.00 C ATOM 455 C GLU A 41 -25.720 -4.807 4.607 1.00 0.00 C ATOM 456 O GLU A 41 -25.237 -5.432 5.544 1.00 0.00 O ATOM 457 CB GLU A 41 -26.040 -2.321 4.273 1.00 0.00 C ATOM 458 CG GLU A 41 -26.488 -2.103 5.724 1.00 0.00 C ATOM 459 CD GLU A 41 -27.423 -0.899 5.851 1.00 0.00 C ATOM 460 OE1 GLU A 41 -27.796 -0.324 4.839 1.00 0.00 O ATOM 461 OE2 GLU A 41 -27.662 -0.487 6.974 1.00 0.00 O ATOM 0 H GLU A 41 -25.068 -3.007 2.144 1.00 0.00 H new ATOM 0 HA GLU A 41 -24.227 -3.296 4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -25.565 -1.416 3.894 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -26.909 -2.512 3.644 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -26.994 -2.997 6.087 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -25.613 -1.953 6.357 1.00 0.00 H new ATOM 468 N LEU A 42 -26.333 -5.424 3.602 1.00 0.00 N ATOM 469 CA LEU A 42 -26.765 -6.816 3.664 1.00 0.00 C ATOM 470 C LEU A 42 -25.609 -7.794 3.872 1.00 0.00 C ATOM 471 O LEU A 42 -25.731 -8.692 4.702 1.00 0.00 O ATOM 472 CB LEU A 42 -27.483 -7.096 2.337 1.00 0.00 C ATOM 473 CG LEU A 42 -27.829 -8.577 2.136 1.00 0.00 C ATOM 474 CD1 LEU A 42 -28.788 -9.101 3.211 1.00 0.00 C ATOM 475 CD2 LEU A 42 -28.470 -8.726 0.750 1.00 0.00 C ATOM 0 H LEU A 42 -26.546 -4.968 2.715 1.00 0.00 H new ATOM 0 HA LEU A 42 -27.417 -6.963 4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -28.399 -6.507 2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -26.852 -6.762 1.513 1.00 0.00 H new ATOM 0 HG LEU A 42 -26.915 -9.165 2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -29.003 -10.153 3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -28.328 -8.992 4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -29.716 -8.530 3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -28.727 -9.771 0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -29.373 -8.117 0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -27.766 -8.396 -0.014 1.00 0.00 H new ATOM 487 N ALA A 43 -24.487 -7.611 3.182 1.00 0.00 N ATOM 488 CA ALA A 43 -23.381 -8.550 3.342 1.00 0.00 C ATOM 489 C ALA A 43 -22.826 -8.519 4.767 1.00 0.00 C ATOM 490 O ALA A 43 -22.437 -9.555 5.295 1.00 0.00 O ATOM 491 CB ALA A 43 -22.266 -8.245 2.336 1.00 0.00 C ATOM 0 H ALA A 43 -24.321 -6.847 2.527 1.00 0.00 H new ATOM 0 HA ALA A 43 -23.767 -9.551 3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -21.450 -8.955 2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -22.657 -8.330 1.322 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -21.896 -7.233 2.499 1.00 0.00 H new ATOM 497 N LEU A 44 -22.717 -7.323 5.343 1.00 0.00 N ATOM 498 CA LEU A 44 -22.196 -7.161 6.699 1.00 0.00 C ATOM 499 C LEU A 44 -23.064 -7.828 7.768 1.00 0.00 C ATOM 500 O LEU A 44 -22.531 -8.421 8.705 1.00 0.00 O ATOM 501 CB LEU A 44 -21.973 -5.677 7.000 1.00 0.00 C ATOM 502 CG LEU A 44 -20.620 -5.218 6.431 1.00 0.00 C ATOM 503 CD1 LEU A 44 -20.574 -5.341 4.904 1.00 0.00 C ATOM 504 CD2 LEU A 44 -20.380 -3.756 6.812 1.00 0.00 C ATOM 0 H LEU A 44 -22.984 -6.449 4.890 1.00 0.00 H new ATOM 0 HA LEU A 44 -21.239 -7.681 6.739 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -22.778 -5.085 6.565 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -21.999 -5.509 8.077 1.00 0.00 H new ATOM 0 HG LEU A 44 -19.847 -5.861 6.852 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -19.602 -5.007 4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -20.730 -6.381 4.618 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -21.357 -4.722 4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -19.421 -3.428 6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -21.177 -3.137 6.400 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -20.370 -3.660 7.898 1.00 0.00 H new ATOM 516 N LEU A 45 -24.384 -7.700 7.652 1.00 0.00 N ATOM 517 CA LEU A 45 -25.306 -8.426 8.524 1.00 0.00 C ATOM 518 C LEU A 45 -25.164 -9.936 8.347 1.00 0.00 C ATOM 519 O LEU A 45 -25.128 -10.676 9.321 1.00 0.00 O ATOM 520 CB LEU A 45 -26.763 -8.009 8.285 1.00 0.00 C ATOM 521 CG LEU A 45 -27.115 -6.730 9.055 1.00 0.00 C ATOM 522 CD1 LEU A 45 -26.293 -5.532 8.563 1.00 0.00 C ATOM 523 CD2 LEU A 45 -28.615 -6.463 8.886 1.00 0.00 C ATOM 0 H LEU A 45 -24.839 -7.101 6.963 1.00 0.00 H new ATOM 0 HA LEU A 45 -25.039 -8.166 9.548 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -26.927 -7.850 7.219 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -27.429 -8.815 8.593 1.00 0.00 H new ATOM 0 HG LEU A 45 -26.874 -6.867 10.109 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -26.569 -4.644 9.131 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -25.232 -5.737 8.703 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -26.494 -5.363 7.505 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -28.886 -5.556 9.427 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -28.845 -6.337 7.828 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -29.181 -7.305 9.283 1.00 0.00 H new ATOM 535 N VAL A 46 -25.016 -10.383 7.102 1.00 0.00 N ATOM 536 CA VAL A 46 -24.735 -11.789 6.837 1.00 0.00 C ATOM 537 C VAL A 46 -23.396 -12.193 7.447 1.00 0.00 C ATOM 538 O VAL A 46 -23.277 -13.272 8.022 1.00 0.00 O ATOM 539 CB VAL A 46 -24.741 -12.043 5.325 1.00 0.00 C ATOM 540 CG1 VAL A 46 -24.242 -13.461 5.016 1.00 0.00 C ATOM 541 CG2 VAL A 46 -26.172 -11.874 4.803 1.00 0.00 C ATOM 0 H VAL A 46 -25.085 -9.798 6.269 1.00 0.00 H new ATOM 0 HA VAL A 46 -25.512 -12.398 7.299 1.00 0.00 H new ATOM 0 HB VAL A 46 -24.076 -11.331 4.837 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -24.253 -13.624 3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -23.225 -13.579 5.390 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -24.893 -14.189 5.500 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -26.190 -12.052 3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -26.828 -12.589 5.300 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -26.517 -10.861 5.009 1.00 0.00 H new ATOM 551 N GLN A 47 -22.384 -11.352 7.265 1.00 0.00 N ATOM 552 CA GLN A 47 -21.028 -11.681 7.686 1.00 0.00 C ATOM 553 C GLN A 47 -20.939 -11.862 9.201 1.00 0.00 C ATOM 554 O GLN A 47 -20.242 -12.759 9.670 1.00 0.00 O ATOM 555 CB GLN A 47 -20.114 -10.524 7.271 1.00 0.00 C ATOM 556 CG GLN A 47 -18.651 -10.816 7.626 1.00 0.00 C ATOM 557 CD GLN A 47 -17.782 -9.616 7.262 1.00 0.00 C ATOM 558 OE1 GLN A 47 -18.143 -8.475 7.547 1.00 0.00 O ATOM 559 NE2 GLN A 47 -16.656 -9.802 6.632 1.00 0.00 N ATOM 0 H GLN A 47 -22.478 -10.435 6.828 1.00 0.00 H new ATOM 0 HA GLN A 47 -20.729 -12.618 7.217 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -20.203 -10.354 6.198 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -20.435 -9.608 7.767 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -18.562 -11.032 8.691 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -18.307 -11.701 7.091 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -16.355 -10.747 6.395 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -16.076 -9.002 6.376 1.00 0.00 H new ATOM 568 N GLN A 48 -21.561 -10.960 9.961 1.00 0.00 N ATOM 569 CA GLN A 48 -21.578 -11.090 11.418 1.00 0.00 C ATOM 570 C GLN A 48 -22.377 -12.306 11.875 1.00 0.00 C ATOM 571 O GLN A 48 -21.973 -12.996 12.812 1.00 0.00 O ATOM 572 CB GLN A 48 -22.113 -9.818 12.086 1.00 0.00 C ATOM 573 CG GLN A 48 -23.575 -9.563 11.701 1.00 0.00 C ATOM 574 CD GLN A 48 -24.089 -8.273 12.336 1.00 0.00 C ATOM 575 OE1 GLN A 48 -23.307 -7.441 12.799 1.00 0.00 O ATOM 576 NE2 GLN A 48 -25.375 -8.042 12.369 1.00 0.00 N ATOM 0 H GLN A 48 -22.053 -10.143 9.599 1.00 0.00 H new ATOM 0 HA GLN A 48 -20.544 -11.236 11.731 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -22.030 -9.910 13.169 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -21.502 -8.965 11.791 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -23.664 -9.500 10.616 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -24.192 -10.402 12.023 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -26.026 -8.728 11.987 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -25.727 -7.176 12.777 1.00 0.00 H new ATOM 585 N LYS A 49 -23.521 -12.548 11.242 1.00 0.00 N ATOM 586 CA LYS A 49 -24.325 -13.726 11.562 1.00 0.00 C ATOM 587 C LYS A 49 -23.557 -15.004 11.231 1.00 0.00 C ATOM 588 O LYS A 49 -23.697 -16.016 11.916 1.00 0.00 O ATOM 589 CB LYS A 49 -25.648 -13.703 10.790 1.00 0.00 C ATOM 590 CG LYS A 49 -26.542 -12.532 11.220 1.00 0.00 C ATOM 591 CD LYS A 49 -26.992 -12.682 12.676 1.00 0.00 C ATOM 592 CE LYS A 49 -27.889 -11.499 13.052 1.00 0.00 C ATOM 593 NZ LYS A 49 -28.372 -11.658 14.454 1.00 0.00 N ATOM 0 H LYS A 49 -23.910 -11.952 10.512 1.00 0.00 H new ATOM 0 HA LYS A 49 -24.540 -13.708 12.630 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -25.444 -13.630 9.722 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -26.178 -14.642 10.950 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -26.000 -11.594 11.099 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -27.416 -12.481 10.570 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -27.533 -13.619 12.807 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -26.125 -12.720 13.335 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -27.336 -10.565 12.952 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -28.737 -11.442 12.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -28.980 -10.853 14.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -28.915 -12.541 14.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -27.558 -11.691 15.100 1.00 0.00 H new ATOM 607 N ALA A 50 -22.885 -14.995 10.081 1.00 0.00 N ATOM 608 CA ALA A 50 -22.048 -16.116 9.666 1.00 0.00 C ATOM 609 C ALA A 50 -20.721 -16.155 10.427 1.00 0.00 C ATOM 610 O ALA A 50 -20.031 -17.174 10.401 1.00 0.00 O ATOM 611 CB ALA A 50 -21.790 -16.028 8.158 1.00 0.00 C ATOM 0 H ALA A 50 -22.905 -14.220 9.419 1.00 0.00 H new ATOM 0 HA ALA A 50 -22.580 -17.038 9.899 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -21.165 -16.865 7.846 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -22.739 -16.066 7.624 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -21.282 -15.091 7.930 1.00 0.00 H new ATOM 617 N LYS A 51 -20.385 -15.068 11.126 1.00 0.00 N ATOM 618 CA LYS A 51 -19.162 -15.010 11.927 1.00 0.00 C ATOM 619 C LYS A 51 -17.930 -15.441 11.130 1.00 0.00 C ATOM 620 O LYS A 51 -17.043 -16.104 11.667 1.00 0.00 O ATOM 621 CB LYS A 51 -19.296 -15.850 13.206 1.00 0.00 C ATOM 622 CG LYS A 51 -20.302 -15.211 14.167 1.00 0.00 C ATOM 623 CD LYS A 51 -20.435 -16.083 15.418 1.00 0.00 C ATOM 624 CE LYS A 51 -21.449 -15.461 16.381 1.00 0.00 C ATOM 625 NZ LYS A 51 -20.904 -14.169 16.883 1.00 0.00 N ATOM 0 H LYS A 51 -20.944 -14.215 11.153 1.00 0.00 H new ATOM 0 HA LYS A 51 -19.021 -13.967 12.210 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.618 -16.860 12.952 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.325 -15.938 13.693 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -19.973 -14.209 14.442 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -21.271 -15.105 13.679 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.754 -17.088 15.140 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -19.467 -16.180 15.909 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.400 -15.298 15.874 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -21.643 -16.138 17.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -21.426 -13.880 17.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -19.897 -14.284 17.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -21.008 -13.440 16.149 1.00 0.00 H new ATOM 639 N VAL A 52 -17.774 -14.879 9.934 1.00 0.00 N ATOM 640 CA VAL A 52 -16.612 -15.182 9.101 1.00 0.00 C ATOM 641 C VAL A 52 -15.800 -13.914 8.848 1.00 0.00 C ATOM 642 O VAL A 52 -16.359 -12.861 8.545 1.00 0.00 O ATOM 643 CB VAL A 52 -17.039 -15.810 7.767 1.00 0.00 C ATOM 644 CG1 VAL A 52 -17.663 -17.185 8.024 1.00 0.00 C ATOM 645 CG2 VAL A 52 -18.062 -14.926 7.048 1.00 0.00 C ATOM 0 H VAL A 52 -18.431 -14.217 9.522 1.00 0.00 H new ATOM 0 HA VAL A 52 -15.991 -15.903 9.634 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.155 -15.908 7.138 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -17.966 -17.630 7.076 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -16.932 -17.831 8.511 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -18.535 -17.074 8.668 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -18.348 -15.393 6.106 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -18.945 -14.806 7.676 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -17.622 -13.949 6.849 1.00 0.00 H new ATOM 655 N LYS A 53 -14.490 -14.013 9.067 1.00 0.00 N ATOM 656 CA LYS A 53 -13.601 -12.865 8.926 1.00 0.00 C ATOM 657 C LYS A 53 -12.858 -12.945 7.601 1.00 0.00 C ATOM 658 O LYS A 53 -12.242 -13.966 7.297 1.00 0.00 O ATOM 659 CB LYS A 53 -12.577 -12.823 10.063 1.00 0.00 C ATOM 660 CG LYS A 53 -13.288 -12.554 11.393 1.00 0.00 C ATOM 661 CD LYS A 53 -12.256 -12.518 12.522 1.00 0.00 C ATOM 662 CE LYS A 53 -12.951 -12.232 13.856 1.00 0.00 C ATOM 663 NZ LYS A 53 -11.925 -12.202 14.935 1.00 0.00 N ATOM 0 H LYS A 53 -14.022 -14.877 9.343 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.210 -11.962 8.961 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.037 -13.769 10.114 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.839 -12.044 9.871 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.825 -11.607 11.346 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.028 -13.331 11.586 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.728 -13.470 12.574 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.509 -11.750 12.319 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.478 -11.279 13.810 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.696 -12.999 14.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.386 -12.008 15.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.441 -13.122 14.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.230 -11.455 14.733 1.00 0.00 H new ATOM 677 N ILE A 54 -12.638 -11.767 7.028 1.00 0.00 N ATOM 678 CA ILE A 54 -11.974 -11.642 5.737 1.00 0.00 C ATOM 679 C ILE A 54 -11.057 -10.427 5.776 1.00 0.00 C ATOM 680 O ILE A 54 -11.533 -9.296 5.714 1.00 0.00 O ATOM 681 CB ILE A 54 -12.994 -11.489 4.597 1.00 0.00 C ATOM 682 CG1 ILE A 54 -14.408 -11.261 5.152 1.00 0.00 C ATOM 683 CG2 ILE A 54 -12.959 -12.751 3.730 1.00 0.00 C ATOM 684 CD1 ILE A 54 -15.411 -11.056 4.010 1.00 0.00 C ATOM 0 H ILE A 54 -12.913 -10.877 7.443 1.00 0.00 H new ATOM 0 HA ILE A 54 -11.397 -12.547 5.547 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.731 -10.619 3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.709 -12.116 5.758 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.411 -10.389 5.807 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.679 -12.654 2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -11.959 -12.880 3.316 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.214 -13.618 4.339 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -16.406 -10.896 4.424 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -15.119 -10.186 3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -15.421 -11.940 3.372 1.00 0.00 H new ATOM 696 N PRO A 55 -9.733 -10.634 5.845 1.00 0.00 N ATOM 697 CA PRO A 55 -8.785 -9.509 6.083 1.00 0.00 C ATOM 698 C PRO A 55 -8.927 -8.406 5.039 1.00 0.00 C ATOM 699 O PRO A 55 -8.562 -7.265 5.310 1.00 0.00 O ATOM 700 CB PRO A 55 -7.404 -10.167 6.011 1.00 0.00 C ATOM 701 CG PRO A 55 -7.634 -11.591 6.393 1.00 0.00 C ATOM 702 CD PRO A 55 -9.053 -11.941 5.933 1.00 0.00 C ATOM 0 HA PRO A 55 -8.970 -9.015 7.037 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -6.982 -10.090 5.009 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.701 -9.685 6.690 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.901 -12.243 5.919 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.531 -11.725 7.470 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.046 -12.453 4.971 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.551 -12.603 6.642 1.00 0.00 H new ATOM 710 N ARG A 56 -9.210 -8.811 3.803 1.00 0.00 N ATOM 711 CA ARG A 56 -9.255 -7.864 2.698 1.00 0.00 C ATOM 712 C ARG A 56 -10.629 -7.816 2.024 1.00 0.00 C ATOM 713 O ARG A 56 -10.995 -6.763 1.501 1.00 0.00 O ATOM 714 CB ARG A 56 -8.134 -8.165 1.696 1.00 0.00 C ATOM 715 CG ARG A 56 -6.775 -7.914 2.364 1.00 0.00 C ATOM 716 CD ARG A 56 -5.618 -8.292 1.429 1.00 0.00 C ATOM 717 NE ARG A 56 -5.598 -7.429 0.248 1.00 0.00 N ATOM 718 CZ ARG A 56 -4.748 -7.620 -0.763 1.00 0.00 C ATOM 719 NH1 ARG A 56 -3.847 -8.565 -0.715 1.00 0.00 N ATOM 720 NH2 ARG A 56 -4.753 -6.789 -1.773 1.00 0.00 N ATOM 0 H ARG A 56 -9.409 -9.778 3.546 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.090 -6.867 3.107 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.201 -9.199 1.358 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.240 -7.534 0.814 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.692 -6.863 2.643 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.707 -8.494 3.284 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.671 -8.207 1.963 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.718 -9.333 1.122 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.258 -6.653 0.195 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.786 -9.170 0.104 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.205 -8.698 -1.496 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.403 -6.003 -1.783 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.107 -6.927 -2.550 1.00 0.00 H new ATOM 734 N LYS A 57 -11.325 -8.948 1.883 1.00 0.00 N ATOM 735 CA LYS A 57 -12.381 -9.026 0.871 1.00 0.00 C ATOM 736 C LYS A 57 -13.539 -8.056 1.104 1.00 0.00 C ATOM 737 O LYS A 57 -14.064 -7.511 0.132 1.00 0.00 O ATOM 738 CB LYS A 57 -12.993 -10.427 0.773 1.00 0.00 C ATOM 739 CG LYS A 57 -12.002 -11.429 0.180 1.00 0.00 C ATOM 740 CD LYS A 57 -12.677 -12.801 0.107 1.00 0.00 C ATOM 741 CE LYS A 57 -11.714 -13.820 -0.504 1.00 0.00 C ATOM 742 NZ LYS A 57 -12.381 -15.150 -0.572 1.00 0.00 N ATOM 0 H LYS A 57 -11.184 -9.794 2.435 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.865 -8.758 -0.051 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.301 -10.761 1.764 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.890 -10.391 0.155 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.689 -11.108 -0.814 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.104 -11.482 0.795 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.977 -13.123 1.104 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.584 -12.739 -0.494 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.413 -13.500 -1.502 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.807 -13.886 0.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.728 -15.845 -0.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.647 -15.454 0.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.234 -15.081 -1.163 1.00 0.00 H new ATOM 756 N TRP A 58 -14.026 -7.929 2.338 1.00 0.00 N ATOM 757 CA TRP A 58 -14.996 -6.874 2.626 1.00 0.00 C ATOM 758 C TRP A 58 -14.427 -5.760 3.497 1.00 0.00 C ATOM 759 O TRP A 58 -14.742 -4.595 3.271 1.00 0.00 O ATOM 760 CB TRP A 58 -16.240 -7.459 3.309 1.00 0.00 C ATOM 761 CG TRP A 58 -17.337 -7.627 2.304 1.00 0.00 C ATOM 762 CD1 TRP A 58 -17.756 -8.809 1.800 1.00 0.00 C ATOM 763 CD2 TRP A 58 -17.967 -6.594 1.488 1.00 0.00 C ATOM 764 NE1 TRP A 58 -18.785 -8.561 0.912 1.00 0.00 N ATOM 765 CE2 TRP A 58 -18.905 -7.218 0.624 1.00 0.00 C ATOM 766 CE3 TRP A 58 -17.640 -5.248 1.243 1.00 0.00 C ATOM 767 CZ2 TRP A 58 -19.503 -6.516 -0.426 1.00 0.00 C ATOM 768 CZ3 TRP A 58 -18.294 -4.536 0.230 1.00 0.00 C ATOM 769 CH2 TRP A 58 -19.068 -5.222 -0.712 1.00 0.00 C ATOM 0 H TRP A 58 -13.776 -8.521 3.130 1.00 0.00 H new ATOM 0 HA TRP A 58 -15.262 -6.437 1.663 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -15.999 -8.420 3.763 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -16.568 -6.801 4.113 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -17.355 -9.781 2.049 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -19.385 -9.285 0.517 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -16.882 -4.762 1.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -20.292 -6.969 -1.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -18.201 -3.461 0.176 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -19.326 -4.755 -1.651 1.00 0.00 H new ATOM 780 N LYS A 59 -13.503 -6.100 4.389 1.00 0.00 N ATOM 781 CA LYS A 59 -13.001 -5.123 5.352 1.00 0.00 C ATOM 782 C LYS A 59 -12.274 -3.981 4.647 1.00 0.00 C ATOM 783 O LYS A 59 -12.134 -2.901 5.218 1.00 0.00 O ATOM 784 CB LYS A 59 -12.109 -5.783 6.405 1.00 0.00 C ATOM 785 CG LYS A 59 -12.964 -6.690 7.301 1.00 0.00 C ATOM 786 CD LYS A 59 -12.087 -7.403 8.333 1.00 0.00 C ATOM 787 CE LYS A 59 -12.941 -8.344 9.190 1.00 0.00 C ATOM 788 NZ LYS A 59 -13.876 -7.555 10.043 1.00 0.00 N ATOM 0 H LYS A 59 -13.091 -7.030 4.467 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.861 -4.700 5.872 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.326 -6.366 5.920 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.613 -5.021 7.007 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.725 -6.097 7.809 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.488 -7.425 6.690 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.304 -7.969 7.828 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.591 -6.670 8.969 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.505 -9.021 8.548 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.298 -8.961 9.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.289 -8.174 10.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.357 -6.780 10.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.636 -7.160 9.452 1.00 0.00 H new ATOM 802 N ARG A 60 -11.494 -4.348 3.631 1.00 0.00 N ATOM 803 CA ARG A 60 -10.623 -3.392 2.953 1.00 0.00 C ATOM 804 C ARG A 60 -11.297 -2.790 1.723 1.00 0.00 C ATOM 805 O ARG A 60 -10.736 -1.891 1.100 1.00 0.00 O ATOM 806 CB ARG A 60 -9.313 -4.081 2.557 1.00 0.00 C ATOM 807 CG ARG A 60 -8.558 -4.536 3.812 1.00 0.00 C ATOM 808 CD ARG A 60 -8.071 -3.333 4.626 1.00 0.00 C ATOM 809 NE ARG A 60 -7.328 -3.799 5.793 1.00 0.00 N ATOM 810 CZ ARG A 60 -7.896 -3.927 6.996 1.00 0.00 C ATOM 811 NH1 ARG A 60 -9.173 -3.700 7.171 1.00 0.00 N ATOM 812 NH2 ARG A 60 -7.193 -4.379 8.002 1.00 0.00 N ATOM 0 H ARG A 60 -11.448 -5.297 3.261 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.412 -2.575 3.643 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.523 -4.939 1.918 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.693 -3.396 1.978 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.209 -5.157 4.428 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.707 -5.154 3.525 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.437 -2.697 4.009 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.920 -2.727 4.941 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.341 -4.035 5.687 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.754 -3.420 6.381 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.587 -3.803 8.097 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.214 -4.633 7.867 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -7.623 -4.478 8.921 1.00 0.00 H new ATOM 826 N ARG A 61 -12.516 -3.231 1.408 1.00 0.00 N ATOM 827 CA ARG A 61 -13.161 -2.831 0.157 1.00 0.00 C ATOM 828 C ARG A 61 -14.490 -2.113 0.406 1.00 0.00 C ATOM 829 O ARG A 61 -15.412 -2.244 -0.397 1.00 0.00 O ATOM 830 CB ARG A 61 -13.368 -4.025 -0.787 1.00 0.00 C ATOM 831 CG ARG A 61 -12.002 -4.596 -1.186 1.00 0.00 C ATOM 832 CD ARG A 61 -12.161 -5.822 -2.092 1.00 0.00 C ATOM 833 NE ARG A 61 -12.763 -5.437 -3.369 1.00 0.00 N ATOM 834 CZ ARG A 61 -12.019 -5.026 -4.404 1.00 0.00 C ATOM 835 NH1 ARG A 61 -10.742 -4.798 -4.250 1.00 0.00 N ATOM 836 NH2 ARG A 61 -12.600 -4.684 -5.522 1.00 0.00 N ATOM 0 H ARG A 61 -13.070 -3.857 1.993 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.483 -2.129 -0.329 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.967 -4.792 -0.296 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.917 -3.711 -1.674 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.421 -3.831 -1.702 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.444 -4.871 -0.291 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.189 -6.283 -2.265 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.784 -6.568 -1.599 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.777 -5.483 -3.474 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.306 -4.933 -3.338 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.181 -4.485 -5.042 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.616 -4.731 -5.604 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.038 -4.370 -6.313 1.00 0.00 H new ATOM 850 N TYR A 62 -14.632 -1.424 1.543 1.00 0.00 N ATOM 851 CA TYR A 62 -15.940 -0.885 1.918 1.00 0.00 C ATOM 852 C TYR A 62 -15.800 0.452 2.645 1.00 0.00 C ATOM 853 O TYR A 62 -14.714 0.807 3.103 1.00 0.00 O ATOM 854 CB TYR A 62 -16.691 -1.892 2.801 1.00 0.00 C ATOM 855 CG TYR A 62 -16.313 -1.776 4.266 1.00 0.00 C ATOM 856 CD1 TYR A 62 -14.992 -2.019 4.683 1.00 0.00 C ATOM 857 CD2 TYR A 62 -17.340 -1.970 5.203 1.00 0.00 C ATOM 858 CE1 TYR A 62 -14.680 -1.916 6.048 1.00 0.00 C ATOM 859 CE2 TYR A 62 -17.027 -2.158 6.552 1.00 0.00 C ATOM 860 CZ TYR A 62 -15.711 -1.983 6.990 1.00 0.00 C ATOM 861 OH TYR A 62 -15.427 -1.984 8.342 1.00 0.00 O ATOM 0 H TYR A 62 -13.879 -1.231 2.203 1.00 0.00 H new ATOM 0 HA TYR A 62 -16.510 -0.713 1.005 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -17.764 -1.736 2.693 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -16.480 -2.903 2.454 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -14.229 -2.281 3.964 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -18.371 -1.974 4.882 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -13.656 -1.787 6.366 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.799 -2.437 7.254 1.00 0.00 H new ATOM 0 HH TYR A 62 -16.262 -2.034 8.852 1.00 0.00 H new ATOM 871 N CYS A 63 -16.889 1.215 2.682 1.00 0.00 N ATOM 872 CA CYS A 63 -16.900 2.463 3.432 1.00 0.00 C ATOM 873 C CYS A 63 -16.996 2.196 4.928 1.00 0.00 C ATOM 874 O CYS A 63 -17.757 1.337 5.370 1.00 0.00 O ATOM 875 CB CYS A 63 -18.050 3.377 3.000 1.00 0.00 C ATOM 876 SG CYS A 63 -17.547 5.102 3.235 1.00 0.00 S ATOM 0 H CYS A 63 -17.764 0.993 2.207 1.00 0.00 H new ATOM 0 HA CYS A 63 -15.960 2.971 3.216 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -18.303 3.197 1.955 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -18.944 3.162 3.586 1.00 0.00 H new ATOM 0 HG CYS A 63 -18.044 5.833 2.282 1.00 0.00 H new ATOM 881 N LYS A 64 -16.320 3.048 5.690 1.00 0.00 N ATOM 882 CA LYS A 64 -16.290 2.920 7.141 1.00 0.00 C ATOM 883 C LYS A 64 -17.697 3.084 7.708 1.00 0.00 C ATOM 884 O LYS A 64 -18.099 2.323 8.589 1.00 0.00 O ATOM 885 CB LYS A 64 -15.395 4.016 7.726 1.00 0.00 C ATOM 886 CG LYS A 64 -13.927 3.859 7.304 1.00 0.00 C ATOM 887 CD LYS A 64 -13.332 2.572 7.880 1.00 0.00 C ATOM 888 CE LYS A 64 -11.866 2.447 7.458 1.00 0.00 C ATOM 889 NZ LYS A 64 -11.274 1.223 8.063 1.00 0.00 N ATOM 0 H LYS A 64 -15.785 3.836 5.326 1.00 0.00 H new ATOM 0 HA LYS A 64 -15.903 1.935 7.403 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.761 4.991 7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -15.462 3.994 8.814 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.856 3.843 6.216 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.351 4.718 7.649 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.408 2.580 8.967 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.897 1.709 7.527 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.793 2.399 6.371 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.309 3.328 7.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.278 1.140 7.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.331 1.286 9.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.799 0.386 7.738 1.00 0.00 H new ATOM 903 N LYS A 65 -18.464 4.029 7.162 1.00 0.00 N ATOM 904 CA LYS A 65 -19.774 4.324 7.734 1.00 0.00 C ATOM 905 C LYS A 65 -20.834 3.552 6.954 1.00 0.00 C ATOM 906 O LYS A 65 -21.762 2.983 7.526 1.00 0.00 O ATOM 907 CB LYS A 65 -20.094 5.819 7.642 1.00 0.00 C ATOM 908 CG LYS A 65 -18.822 6.653 7.820 1.00 0.00 C ATOM 909 CD LYS A 65 -19.184 8.139 7.794 1.00 0.00 C ATOM 910 CE LYS A 65 -17.909 8.978 7.895 1.00 0.00 C ATOM 911 NZ LYS A 65 -17.142 8.778 6.634 1.00 0.00 N ATOM 0 H LYS A 65 -18.209 4.588 6.348 1.00 0.00 H new ATOM 0 HA LYS A 65 -19.767 4.032 8.784 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -20.549 6.041 6.677 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -20.822 6.089 8.407 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -18.337 6.401 8.763 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -18.111 6.426 7.026 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -19.717 8.378 6.874 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -19.854 8.375 8.621 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -18.153 10.031 8.033 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -17.316 8.673 8.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -16.516 9.593 6.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -16.571 7.912 6.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -17.803 8.689 5.836 1.00 0.00 H new ATOM 925 N CYS A 66 -20.732 3.675 5.631 1.00 0.00 N ATOM 926 CA CYS A 66 -21.802 3.290 4.715 1.00 0.00 C ATOM 927 C CYS A 66 -21.941 1.783 4.609 1.00 0.00 C ATOM 928 O CYS A 66 -22.963 1.306 4.122 1.00 0.00 O ATOM 929 CB CYS A 66 -21.561 3.888 3.326 1.00 0.00 C ATOM 930 SG CYS A 66 -21.339 5.674 3.526 1.00 0.00 S ATOM 0 H CYS A 66 -19.904 4.045 5.165 1.00 0.00 H new ATOM 0 HA CYS A 66 -22.733 3.685 5.122 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -20.679 3.442 2.866 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -22.404 3.679 2.668 1.00 0.00 H new ATOM 0 HG CYS A 66 -20.082 5.974 3.383 1.00 0.00 H new ATOM 935 N HIS A 67 -20.807 1.095 4.687 1.00 0.00 N ATOM 936 CA HIS A 67 -20.808 -0.348 4.509 1.00 0.00 C ATOM 937 C HIS A 67 -21.207 -0.628 3.061 1.00 0.00 C ATOM 938 O HIS A 67 -22.375 -0.929 2.812 1.00 0.00 O ATOM 939 CB HIS A 67 -21.765 -0.978 5.528 1.00 0.00 C ATOM 940 CG HIS A 67 -21.187 -0.837 6.916 1.00 0.00 C ATOM 941 ND1 HIS A 67 -21.939 -1.084 8.054 1.00 0.00 N ATOM 942 CD2 HIS A 67 -19.960 -0.410 7.373 1.00 0.00 C ATOM 943 CE1 HIS A 67 -21.139 -0.906 9.120 1.00 0.00 C ATOM 944 NE2 HIS A 67 -19.926 -0.481 8.765 1.00 0.00 N ATOM 0 H HIS A 67 -19.892 1.506 4.869 1.00 0.00 H new ATOM 0 HA HIS A 67 -19.827 -0.790 4.687 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -22.739 -0.492 5.477 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -21.922 -2.031 5.293 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -19.147 -0.071 6.748 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -21.442 -1.086 10.141 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -19.143 -0.256 9.379 1.00 0.00 H new ATOM 953 N ALA A 68 -20.477 0.085 2.206 1.00 0.00 N ATOM 954 CA ALA A 68 -20.678 0.064 0.759 1.00 0.00 C ATOM 955 C ALA A 68 -19.342 -0.166 0.061 1.00 0.00 C ATOM 956 O ALA A 68 -18.367 0.489 0.424 1.00 0.00 O ATOM 957 CB ALA A 68 -21.278 1.389 0.283 1.00 0.00 C ATOM 0 H ALA A 68 -19.720 0.701 2.502 1.00 0.00 H new ATOM 0 HA ALA A 68 -21.367 -0.744 0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -21.421 1.356 -0.797 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -22.239 1.550 0.772 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -20.602 2.206 0.535 1.00 0.00 H new ATOM 963 N PHE A 69 -19.392 -0.740 -1.138 1.00 0.00 N ATOM 964 CA PHE A 69 -18.177 -1.179 -1.818 1.00 0.00 C ATOM 965 C PHE A 69 -17.322 0.046 -2.135 1.00 0.00 C ATOM 966 O PHE A 69 -17.792 0.952 -2.813 1.00 0.00 O ATOM 967 CB PHE A 69 -18.575 -1.847 -3.140 1.00 0.00 C ATOM 968 CG PHE A 69 -17.553 -2.870 -3.584 1.00 0.00 C ATOM 969 CD1 PHE A 69 -16.214 -2.500 -3.786 1.00 0.00 C ATOM 970 CD2 PHE A 69 -17.937 -4.211 -3.732 1.00 0.00 C ATOM 971 CE1 PHE A 69 -15.294 -3.451 -4.236 1.00 0.00 C ATOM 972 CE2 PHE A 69 -17.045 -5.127 -4.300 1.00 0.00 C ATOM 973 CZ PHE A 69 -15.728 -4.740 -4.571 1.00 0.00 C ATOM 0 H PHE A 69 -20.254 -0.911 -1.656 1.00 0.00 H new ATOM 0 HA PHE A 69 -17.622 -1.875 -1.188 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -19.546 -2.329 -3.025 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -18.686 -1.086 -3.912 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -15.896 -1.486 -3.595 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -18.916 -4.535 -3.409 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -14.249 -3.192 -4.325 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -17.372 -6.130 -4.529 1.00 0.00 H new ATOM 0 HZ PHE A 69 -15.046 -5.435 -5.038 1.00 0.00 H new ATOM 983 N LEU A 70 -16.043 0.032 -1.762 1.00 0.00 N ATOM 984 CA LEU A 70 -15.240 1.244 -1.888 1.00 0.00 C ATOM 985 C LEU A 70 -14.273 1.049 -3.054 1.00 0.00 C ATOM 986 O LEU A 70 -13.211 0.447 -2.906 1.00 0.00 O ATOM 987 CB LEU A 70 -14.478 1.465 -0.572 1.00 0.00 C ATOM 988 CG LEU A 70 -14.020 2.921 -0.371 1.00 0.00 C ATOM 989 CD1 LEU A 70 -13.639 3.616 -1.685 1.00 0.00 C ATOM 990 CD2 LEU A 70 -15.153 3.708 0.298 1.00 0.00 C ATOM 0 H LEU A 70 -15.554 -0.778 -1.382 1.00 0.00 H new ATOM 0 HA LEU A 70 -15.861 2.119 -2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.116 1.174 0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.606 0.811 -0.551 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.127 2.898 0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.325 4.639 -1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.821 3.074 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.500 3.629 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -14.840 4.742 0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -16.038 3.684 -0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -15.388 3.259 1.263 1.00 0.00 H new ATOM 1002 N VAL A 71 -14.614 1.680 -4.174 1.00 0.00 N ATOM 1003 CA VAL A 71 -13.691 1.929 -5.277 1.00 0.00 C ATOM 1004 C VAL A 71 -13.900 3.365 -5.751 1.00 0.00 C ATOM 1005 O VAL A 71 -15.044 3.803 -5.863 1.00 0.00 O ATOM 1006 CB VAL A 71 -13.956 0.925 -6.408 1.00 0.00 C ATOM 1007 CG1 VAL A 71 -13.138 1.258 -7.658 1.00 0.00 C ATOM 1008 CG2 VAL A 71 -13.585 -0.482 -5.931 1.00 0.00 C ATOM 0 H VAL A 71 -15.554 2.038 -4.343 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.657 1.801 -4.957 1.00 0.00 H new ATOM 0 HB VAL A 71 -15.014 0.978 -6.666 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.351 0.527 -8.438 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.404 2.254 -8.012 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.076 1.231 -7.416 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.772 -1.198 -6.731 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.530 -0.508 -5.660 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -14.189 -0.743 -5.062 1.00 0.00 H new ATOM 1018 N PRO A 72 -12.842 4.091 -6.127 1.00 0.00 N ATOM 1019 CA PRO A 72 -13.004 5.409 -6.800 1.00 0.00 C ATOM 1020 C PRO A 72 -13.715 5.297 -8.143 1.00 0.00 C ATOM 1021 O PRO A 72 -13.328 4.496 -8.992 1.00 0.00 O ATOM 1022 CB PRO A 72 -11.579 5.950 -6.952 1.00 0.00 C ATOM 1023 CG PRO A 72 -10.735 5.141 -6.021 1.00 0.00 C ATOM 1024 CD PRO A 72 -11.422 3.780 -5.880 1.00 0.00 C ATOM 0 HA PRO A 72 -13.636 6.078 -6.216 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -11.231 5.852 -7.980 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.534 7.009 -6.700 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.725 5.026 -6.414 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.646 5.633 -5.052 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -11.037 3.058 -6.600 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.270 3.353 -4.889 1.00 0.00 H new ATOM 1032 N GLY A 73 -14.506 6.329 -8.418 1.00 0.00 N ATOM 1033 CA GLY A 73 -15.159 6.522 -9.707 1.00 0.00 C ATOM 1034 C GLY A 73 -16.610 6.044 -9.685 1.00 0.00 C ATOM 1035 O GLY A 73 -17.364 6.356 -10.604 1.00 0.00 O ATOM 0 H GLY A 73 -14.714 7.064 -7.742 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -15.128 7.578 -9.976 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.610 5.981 -10.477 1.00 0.00 H new ATOM 1039 N ILE A 74 -16.950 5.169 -8.732 1.00 0.00 N ATOM 1040 CA ILE A 74 -18.259 4.520 -8.753 1.00 0.00 C ATOM 1041 C ILE A 74 -19.221 5.069 -7.696 1.00 0.00 C ATOM 1042 O ILE A 74 -20.059 5.909 -8.020 1.00 0.00 O ATOM 1043 CB ILE A 74 -18.062 3.020 -8.519 1.00 0.00 C ATOM 1044 CG1 ILE A 74 -17.243 2.430 -9.675 1.00 0.00 C ATOM 1045 CG2 ILE A 74 -19.438 2.351 -8.451 1.00 0.00 C ATOM 1046 CD1 ILE A 74 -16.786 1.008 -9.335 1.00 0.00 C ATOM 0 H ILE A 74 -16.349 4.900 -7.953 1.00 0.00 H new ATOM 0 HA ILE A 74 -18.708 4.721 -9.726 1.00 0.00 H new ATOM 0 HB ILE A 74 -17.527 2.848 -7.585 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -17.843 2.418 -10.585 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -16.376 3.060 -9.873 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -19.314 1.281 -8.285 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -20.012 2.782 -7.631 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -19.968 2.513 -9.389 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -16.206 0.604 -10.165 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -16.168 1.029 -8.437 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -17.658 0.378 -9.160 1.00 0.00 H new ATOM 1058 N ASN A 75 -19.015 4.702 -6.428 1.00 0.00 N ATOM 1059 CA ASN A 75 -19.858 5.206 -5.342 1.00 0.00 C ATOM 1060 C ASN A 75 -19.075 6.225 -4.527 1.00 0.00 C ATOM 1061 O ASN A 75 -19.633 6.926 -3.686 1.00 0.00 O ATOM 1062 CB ASN A 75 -20.282 4.069 -4.404 1.00 0.00 C ATOM 1063 CG ASN A 75 -19.117 3.502 -3.591 1.00 0.00 C ATOM 1064 OD1 ASN A 75 -17.950 3.727 -3.911 1.00 0.00 O ATOM 1065 ND2 ASN A 75 -19.371 3.098 -2.375 1.00 0.00 N ATOM 0 H ASN A 75 -18.278 4.063 -6.130 1.00 0.00 H new ATOM 0 HA ASN A 75 -20.745 5.659 -5.784 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -21.050 4.434 -3.722 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -20.732 3.269 -4.992 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -18.608 2.974 -1.709 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -20.332 2.907 -2.091 1.00 0.00 H new ATOM 1072 N ALA A 76 -17.871 6.466 -5.022 1.00 0.00 N ATOM 1073 CA ALA A 76 -16.897 7.307 -4.353 1.00 0.00 C ATOM 1074 C ALA A 76 -15.912 7.791 -5.404 1.00 0.00 C ATOM 1075 O ALA A 76 -15.857 7.212 -6.490 1.00 0.00 O ATOM 1076 CB ALA A 76 -16.171 6.519 -3.257 1.00 0.00 C ATOM 0 H ALA A 76 -17.542 6.079 -5.907 1.00 0.00 H new ATOM 0 HA ALA A 76 -17.389 8.154 -3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -15.444 7.165 -2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -16.895 6.164 -2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -15.657 5.667 -3.701 1.00 0.00 H new ATOM 1082 N ARG A 77 -15.327 8.960 -5.188 1.00 0.00 N ATOM 1083 CA ARG A 77 -14.406 9.522 -6.167 1.00 0.00 C ATOM 1084 C ARG A 77 -13.135 10.005 -5.487 1.00 0.00 C ATOM 1085 O ARG A 77 -13.186 10.514 -4.370 1.00 0.00 O ATOM 1086 CB ARG A 77 -15.074 10.657 -6.947 1.00 0.00 C ATOM 1087 CG ARG A 77 -14.221 11.007 -8.169 1.00 0.00 C ATOM 1088 CD ARG A 77 -14.878 12.127 -8.979 1.00 0.00 C ATOM 1089 NE ARG A 77 -14.130 12.317 -10.218 1.00 0.00 N ATOM 1090 CZ ARG A 77 -14.254 13.401 -10.989 1.00 0.00 C ATOM 1091 NH1 ARG A 77 -15.057 14.375 -10.652 1.00 0.00 N ATOM 1092 NH2 ARG A 77 -13.517 13.520 -12.062 1.00 0.00 N ATOM 0 H ARG A 77 -15.470 9.532 -4.356 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.136 8.739 -6.876 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -16.074 10.357 -7.262 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -15.190 11.533 -6.308 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -13.226 11.317 -7.849 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -14.093 10.124 -8.795 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -15.915 11.874 -9.200 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -14.892 13.051 -8.402 1.00 0.00 H new ATOM 0 HE ARG A 77 -13.481 11.586 -10.509 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -15.599 14.314 -9.790 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -15.141 15.197 -11.251 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -12.851 12.787 -12.307 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -13.608 14.346 -12.654 1.00 0.00 H new ATOM 1106 N VAL A 78 -12.004 9.838 -6.164 1.00 0.00 N ATOM 1107 CA VAL A 78 -10.714 10.153 -5.566 1.00 0.00 C ATOM 1108 C VAL A 78 -9.977 11.170 -6.428 1.00 0.00 C ATOM 1109 O VAL A 78 -10.085 11.138 -7.653 1.00 0.00 O ATOM 1110 CB VAL A 78 -9.886 8.867 -5.418 1.00 0.00 C ATOM 1111 CG1 VAL A 78 -9.366 8.387 -6.780 1.00 0.00 C ATOM 1112 CG2 VAL A 78 -8.693 9.108 -4.484 1.00 0.00 C ATOM 0 H VAL A 78 -11.955 9.489 -7.121 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.868 10.586 -4.578 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.536 8.100 -4.996 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.783 7.476 -6.646 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.209 8.185 -7.441 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.736 9.159 -7.221 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.115 8.189 -4.388 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.060 9.893 -4.897 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.055 9.413 -3.502 1.00 0.00 H new ATOM 1122 N ARG A 79 -9.485 12.213 -5.768 1.00 0.00 N ATOM 1123 CA ARG A 79 -8.558 13.141 -6.402 1.00 0.00 C ATOM 1124 C ARG A 79 -7.151 12.855 -5.906 1.00 0.00 C ATOM 1125 O ARG A 79 -6.961 12.511 -4.739 1.00 0.00 O ATOM 1126 CB ARG A 79 -8.934 14.583 -6.066 1.00 0.00 C ATOM 1127 CG ARG A 79 -10.312 14.873 -6.660 1.00 0.00 C ATOM 1128 CD ARG A 79 -10.728 16.303 -6.310 1.00 0.00 C ATOM 1129 NE ARG A 79 -10.963 16.441 -4.876 1.00 0.00 N ATOM 1130 CZ ARG A 79 -11.314 17.604 -4.325 1.00 0.00 C ATOM 1131 NH1 ARG A 79 -11.740 18.587 -5.074 1.00 0.00 N ATOM 1132 NH2 ARG A 79 -11.409 17.707 -3.027 1.00 0.00 N ATOM 0 H ARG A 79 -9.712 12.436 -4.799 1.00 0.00 H new ATOM 0 HA ARG A 79 -8.606 13.010 -7.483 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -8.948 14.729 -4.986 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -8.193 15.272 -6.472 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.288 14.745 -7.742 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.044 14.165 -6.271 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -9.950 16.999 -6.624 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.632 16.567 -6.858 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.855 15.623 -4.277 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -11.805 18.467 -6.085 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.007 19.474 -4.648 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.215 16.899 -2.436 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.677 18.596 -2.604 1.00 0.00 H new ATOM 1146 N LEU A 80 -6.200 12.859 -6.830 1.00 0.00 N ATOM 1147 CA LEU A 80 -4.809 12.622 -6.474 1.00 0.00 C ATOM 1148 C LEU A 80 -4.037 13.933 -6.576 1.00 0.00 C ATOM 1149 O LEU A 80 -4.041 14.581 -7.622 1.00 0.00 O ATOM 1150 CB LEU A 80 -4.216 11.571 -7.418 1.00 0.00 C ATOM 1151 CG LEU A 80 -5.145 10.353 -7.503 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -6.315 10.619 -8.464 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -4.345 9.144 -7.994 1.00 0.00 C ATOM 0 H LEU A 80 -6.364 13.022 -7.823 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.740 12.251 -5.451 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.075 12.000 -8.410 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.233 11.264 -7.061 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.554 10.156 -6.512 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.958 9.740 -8.506 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.891 11.473 -8.108 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.927 10.832 -9.460 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.000 8.275 -8.056 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.931 9.358 -8.979 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.533 8.937 -7.296 1.00 0.00 H new ATOM 1165 N ARG A 81 -3.573 14.409 -5.423 1.00 0.00 N ATOM 1166 CA ARG A 81 -2.870 15.684 -5.342 1.00 0.00 C ATOM 1167 C ARG A 81 -1.379 15.461 -5.144 1.00 0.00 C ATOM 1168 O ARG A 81 -0.972 14.676 -4.287 1.00 0.00 O ATOM 1169 CB ARG A 81 -3.434 16.534 -4.199 1.00 0.00 C ATOM 1170 CG ARG A 81 -4.878 16.938 -4.513 1.00 0.00 C ATOM 1171 CD ARG A 81 -5.460 17.754 -3.352 1.00 0.00 C ATOM 1172 NE ARG A 81 -5.632 16.922 -2.163 1.00 0.00 N ATOM 1173 CZ ARG A 81 -6.084 17.430 -1.013 1.00 0.00 C ATOM 1174 NH1 ARG A 81 -6.256 18.717 -0.877 1.00 0.00 N ATOM 1175 NH2 ARG A 81 -6.112 16.680 0.055 1.00 0.00 N ATOM 0 H ARG A 81 -3.673 13.928 -4.529 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.019 16.217 -6.281 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.399 15.973 -3.265 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.820 17.424 -4.059 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.909 17.524 -5.431 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.484 16.048 -4.683 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.799 18.590 -3.123 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.420 18.178 -3.646 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.401 15.930 -2.212 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.045 19.345 -1.653 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.602 19.095 0.005 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.790 15.713 0.008 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.456 17.061 0.937 1.00 0.00 H new ATOM 1189 N GLN A 82 -0.572 16.243 -5.856 1.00 0.00 N ATOM 1190 CA GLN A 82 0.871 16.076 -5.785 1.00 0.00 C ATOM 1191 C GLN A 82 1.499 17.296 -5.116 1.00 0.00 C ATOM 1192 O GLN A 82 1.772 18.316 -5.751 1.00 0.00 O ATOM 1193 CB GLN A 82 1.432 15.844 -7.189 1.00 0.00 C ATOM 1194 CG GLN A 82 2.935 15.552 -7.134 1.00 0.00 C ATOM 1195 CD GLN A 82 3.199 14.229 -6.418 1.00 0.00 C ATOM 1196 OE1 GLN A 82 2.466 13.261 -6.606 1.00 0.00 O ATOM 1197 NE2 GLN A 82 4.122 14.178 -5.497 1.00 0.00 N ATOM 0 H GLN A 82 -0.889 16.986 -6.478 1.00 0.00 H new ATOM 0 HA GLN A 82 1.116 15.203 -5.180 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.912 15.010 -7.660 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.250 16.723 -7.808 1.00 0.00 H new ATOM 0 HG2 GLN A 82 3.341 15.512 -8.145 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.450 16.361 -6.616 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.731 14.981 -5.340 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.235 13.335 -4.934 1.00 0.00 H new ATOM 1206 N LYS A 83 2.077 16.966 -3.970 1.00 0.00 N ATOM 1207 CA LYS A 83 3.000 17.791 -3.202 1.00 0.00 C ATOM 1208 C LYS A 83 4.153 16.865 -2.836 1.00 0.00 C ATOM 1209 O LYS A 83 4.073 15.685 -3.175 1.00 0.00 O ATOM 1210 CB LYS A 83 2.299 18.294 -1.937 1.00 0.00 C ATOM 1211 CG LYS A 83 1.196 19.288 -2.321 1.00 0.00 C ATOM 1212 CD LYS A 83 0.391 19.708 -1.086 1.00 0.00 C ATOM 1213 CE LYS A 83 1.245 20.556 -0.139 1.00 0.00 C ATOM 1214 NZ LYS A 83 0.410 20.988 1.018 1.00 0.00 N ATOM 0 H LYS A 83 1.905 16.064 -3.526 1.00 0.00 H new ATOM 0 HA LYS A 83 3.345 18.663 -3.758 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.871 17.455 -1.388 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.020 18.773 -1.275 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.639 20.167 -2.789 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.532 18.835 -3.057 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.488 20.274 -1.395 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.031 18.822 -0.563 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.102 19.981 0.210 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.638 21.426 -0.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.985 21.565 1.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.394 21.551 0.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.056 20.150 1.523 1.00 0.00 H new ATOM 1228 N ARG A 84 5.256 17.355 -2.270 1.00 0.00 N ATOM 1229 CA ARG A 84 6.168 16.348 -1.738 1.00 0.00 C ATOM 1230 C ARG A 84 5.635 15.974 -0.357 1.00 0.00 C ATOM 1231 O ARG A 84 6.408 15.722 0.567 1.00 0.00 O ATOM 1232 CB ARG A 84 7.519 17.040 -1.524 1.00 0.00 C ATOM 1233 CG ARG A 84 8.085 17.589 -2.836 1.00 0.00 C ATOM 1234 CD ARG A 84 9.420 18.278 -2.541 1.00 0.00 C ATOM 1235 NE ARG A 84 9.217 19.444 -1.676 1.00 0.00 N ATOM 1236 CZ ARG A 84 8.855 20.639 -2.141 1.00 0.00 C ATOM 1237 NH1 ARG A 84 8.586 20.808 -3.406 1.00 0.00 N ATOM 1238 NH2 ARG A 84 8.564 21.593 -1.298 1.00 0.00 N ATOM 0 H ARG A 84 5.522 18.335 -2.173 1.00 0.00 H new ATOM 0 HA ARG A 84 6.258 15.482 -2.394 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.402 17.854 -0.809 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.226 16.333 -1.090 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.227 16.781 -3.554 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.386 18.295 -3.284 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.100 17.575 -2.060 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.890 18.588 -3.474 1.00 0.00 H new ATOM 0 HE ARG A 84 9.359 19.335 -0.672 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.652 20.021 -4.051 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.310 21.728 -3.750 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.615 21.420 -0.294 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.286 22.512 -1.643 1.00 0.00 H new ATOM 1252 N MET A 85 4.394 15.502 -0.392 1.00 0.00 N ATOM 1253 CA MET A 85 3.837 14.441 0.427 1.00 0.00 C ATOM 1254 C MET A 85 2.790 13.756 -0.446 1.00 0.00 C ATOM 1255 O MET A 85 1.948 14.486 -0.968 1.00 0.00 O ATOM 1256 CB MET A 85 3.172 15.148 1.612 1.00 0.00 C ATOM 1257 CG MET A 85 2.903 14.220 2.796 1.00 0.00 C ATOM 1258 SD MET A 85 2.027 15.187 4.048 1.00 0.00 S ATOM 1259 CE MET A 85 1.320 13.810 4.980 1.00 0.00 C ATOM 0 H MET A 85 3.704 15.881 -1.041 1.00 0.00 H new ATOM 0 HA MET A 85 4.562 13.709 0.784 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.809 15.969 1.940 1.00 0.00 H new ATOM 0 HB3 MET A 85 2.230 15.587 1.282 1.00 0.00 H new ATOM 0 HG2 MET A 85 2.306 13.363 2.485 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.838 13.828 3.197 1.00 0.00 H new ATOM 0 HE1 MET A 85 0.731 14.198 5.812 1.00 0.00 H new ATOM 0 HE2 MET A 85 0.679 13.219 4.326 1.00 0.00 H new ATOM 0 HE3 MET A 85 2.123 13.181 5.366 1.00 0.00 H new ATOM 1269 N PRO A 86 2.885 12.480 -0.850 1.00 0.00 N ATOM 1270 CA PRO A 86 1.758 11.925 -1.651 1.00 0.00 C ATOM 1271 C PRO A 86 0.462 11.916 -0.837 1.00 0.00 C ATOM 1272 O PRO A 86 0.470 11.550 0.337 1.00 0.00 O ATOM 1273 CB PRO A 86 2.221 10.516 -2.034 1.00 0.00 C ATOM 1274 CG PRO A 86 3.701 10.486 -1.829 1.00 0.00 C ATOM 1275 CD PRO A 86 4.058 11.588 -0.826 1.00 0.00 C ATOM 0 HA PRO A 86 1.530 12.521 -2.534 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.728 9.765 -1.417 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.968 10.293 -3.071 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.015 9.512 -1.454 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.221 10.646 -2.774 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.231 11.181 0.170 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.967 12.115 -1.117 1.00 0.00 H new ATOM 1283 N HIS A 87 -0.661 12.232 -1.483 1.00 0.00 N ATOM 1284 CA HIS A 87 -1.973 12.188 -0.837 1.00 0.00 C ATOM 1285 C HIS A 87 -3.106 12.027 -1.847 1.00 0.00 C ATOM 1286 O HIS A 87 -3.104 12.681 -2.891 1.00 0.00 O ATOM 1287 CB HIS A 87 -2.166 13.445 0.020 1.00 0.00 C ATOM 1288 CG HIS A 87 -1.937 14.678 -0.809 1.00 0.00 C ATOM 1289 ND1 HIS A 87 -0.649 15.014 -1.189 1.00 0.00 N ATOM 1290 CD2 HIS A 87 -2.654 15.849 -0.918 1.00 0.00 C ATOM 1291 CE1 HIS A 87 -0.713 16.213 -1.788 1.00 0.00 C ATOM 1292 NE2 HIS A 87 -1.865 16.828 -1.523 1.00 0.00 N ATOM 0 H HIS A 87 -0.687 12.523 -2.460 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.007 11.309 -0.194 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -3.173 13.459 0.436 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.474 13.430 0.862 1.00 0.00 H new ATOM 0 HD1 HIS A 87 0.191 14.455 -1.041 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -3.672 15.988 -0.586 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.070 16.627 -2.406 1.00 0.00 H new ATOM 1301 N ILE A 88 -4.164 11.339 -1.418 1.00 0.00 N ATOM 1302 CA ILE A 88 -5.401 11.241 -2.189 1.00 0.00 C ATOM 1303 C ILE A 88 -6.616 11.534 -1.306 1.00 0.00 C ATOM 1304 O ILE A 88 -6.588 11.251 -0.109 1.00 0.00 O ATOM 1305 CB ILE A 88 -5.533 9.859 -2.841 1.00 0.00 C ATOM 1306 CG1 ILE A 88 -5.595 8.754 -1.781 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -4.314 9.625 -3.738 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -5.914 7.412 -2.449 1.00 0.00 C ATOM 0 H ILE A 88 -4.187 10.837 -0.531 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.362 11.989 -2.981 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.454 9.829 -3.422 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.644 8.691 -1.252 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.357 8.992 -1.039 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.392 8.646 -4.210 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.275 10.396 -4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.406 9.666 -3.136 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.957 6.630 -1.691 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.876 7.478 -2.957 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.136 7.173 -3.174 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.651 12.157 -1.877 1.00 0.00 N ATOM 1321 CA VAL A 89 -8.894 12.405 -1.143 1.00 0.00 C ATOM 1322 C VAL A 89 -10.080 11.684 -1.788 1.00 0.00 C ATOM 1323 O VAL A 89 -10.406 11.929 -2.946 1.00 0.00 O ATOM 1324 CB VAL A 89 -9.182 13.912 -1.056 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -8.149 14.568 -0.136 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -9.101 14.562 -2.442 1.00 0.00 C ATOM 0 H VAL A 89 -7.653 12.497 -2.839 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.762 12.009 -0.136 1.00 0.00 H new ATOM 0 HB VAL A 89 -10.188 14.053 -0.660 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -8.348 15.638 -0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.213 14.125 0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.149 14.409 -0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.308 15.629 -2.356 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.102 14.418 -2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.835 14.102 -3.103 1.00 0.00 H new ATOM 1336 N VAL A 90 -10.846 10.978 -0.955 1.00 0.00 N ATOM 1337 CA VAL A 90 -11.937 10.121 -1.422 1.00 0.00 C ATOM 1338 C VAL A 90 -13.248 10.581 -0.787 1.00 0.00 C ATOM 1339 O VAL A 90 -13.416 10.416 0.421 1.00 0.00 O ATOM 1340 CB VAL A 90 -11.670 8.664 -1.012 1.00 0.00 C ATOM 1341 CG1 VAL A 90 -12.908 7.787 -1.253 1.00 0.00 C ATOM 1342 CG2 VAL A 90 -10.484 8.100 -1.800 1.00 0.00 C ATOM 0 H VAL A 90 -10.729 10.984 0.058 1.00 0.00 H new ATOM 0 HA VAL A 90 -12.003 10.188 -2.508 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.437 8.654 0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.691 6.761 -0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.743 8.167 -0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -13.169 7.809 -2.311 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.306 7.067 -1.500 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -10.706 8.135 -2.867 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.595 8.696 -1.595 1.00 0.00 H new ATOM 1352 N LYS A 91 -14.270 10.738 -1.624 1.00 0.00 N ATOM 1353 CA LYS A 91 -15.610 11.049 -1.140 1.00 0.00 C ATOM 1354 C LYS A 91 -16.529 9.921 -1.587 1.00 0.00 C ATOM 1355 O LYS A 91 -16.644 9.710 -2.786 1.00 0.00 O ATOM 1356 CB LYS A 91 -16.169 12.376 -1.691 1.00 0.00 C ATOM 1357 CG LYS A 91 -15.604 12.794 -3.061 1.00 0.00 C ATOM 1358 CD LYS A 91 -14.123 13.186 -3.002 1.00 0.00 C ATOM 1359 CE LYS A 91 -13.618 13.602 -4.386 1.00 0.00 C ATOM 1360 NZ LYS A 91 -12.178 13.960 -4.271 1.00 0.00 N ATOM 0 H LYS A 91 -14.195 10.655 -2.638 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.558 11.152 -0.056 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -17.253 12.292 -1.771 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.962 13.168 -0.971 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.729 11.972 -3.766 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -16.182 13.634 -3.445 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -13.987 14.007 -2.298 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -13.534 12.347 -2.632 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.751 12.788 -5.099 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -14.191 14.450 -4.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.918 14.607 -5.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.008 14.426 -3.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.600 13.098 -4.333 1.00 0.00 H new ATOM 1374 N CYS A 92 -17.321 9.364 -0.671 1.00 0.00 N ATOM 1375 CA CYS A 92 -18.268 8.314 -1.037 1.00 0.00 C ATOM 1376 C CYS A 92 -19.686 8.825 -0.808 1.00 0.00 C ATOM 1377 O CYS A 92 -20.031 9.285 0.276 1.00 0.00 O ATOM 1378 CB CYS A 92 -17.992 7.031 -0.238 1.00 0.00 C ATOM 1379 SG CYS A 92 -19.507 6.115 0.160 1.00 0.00 S ATOM 0 H CYS A 92 -17.326 9.619 0.317 1.00 0.00 H new ATOM 0 HA CYS A 92 -18.151 8.063 -2.091 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -17.323 6.388 -0.810 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -17.474 7.288 0.686 1.00 0.00 H new ATOM 0 HG CYS A 92 -19.871 6.387 1.378 1.00 0.00 H new ATOM 1384 N LEU A 93 -20.523 8.637 -1.821 1.00 0.00 N ATOM 1385 CA LEU A 93 -21.794 9.340 -1.929 1.00 0.00 C ATOM 1386 C LEU A 93 -22.683 8.956 -0.757 1.00 0.00 C ATOM 1387 O LEU A 93 -23.356 9.803 -0.180 1.00 0.00 O ATOM 1388 CB LEU A 93 -22.442 9.054 -3.292 1.00 0.00 C ATOM 1389 CG LEU A 93 -21.613 9.746 -4.382 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -22.029 9.236 -5.765 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -21.844 11.261 -4.318 1.00 0.00 C ATOM 0 H LEU A 93 -20.339 7.993 -2.590 1.00 0.00 H new ATOM 0 HA LEU A 93 -21.637 10.418 -1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -22.484 7.980 -3.473 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -23.468 9.420 -3.307 1.00 0.00 H new ATOM 0 HG LEU A 93 -20.559 9.523 -4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -21.434 9.734 -6.531 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -21.865 8.160 -5.821 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -23.085 9.451 -5.929 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -21.255 11.752 -5.093 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -22.901 11.475 -4.476 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -21.540 11.634 -3.340 1.00 0.00 H new ATOM 1403 N GLU A 94 -22.662 7.678 -0.396 1.00 0.00 N ATOM 1404 CA GLU A 94 -23.617 7.166 0.572 1.00 0.00 C ATOM 1405 C GLU A 94 -23.369 7.817 1.929 1.00 0.00 C ATOM 1406 O GLU A 94 -24.308 7.933 2.713 1.00 0.00 O ATOM 1407 CB GLU A 94 -23.585 5.639 0.728 1.00 0.00 C ATOM 1408 CG GLU A 94 -22.705 4.960 -0.328 1.00 0.00 C ATOM 1409 CD GLU A 94 -23.151 5.322 -1.741 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -24.323 5.176 -2.043 1.00 0.00 O ATOM 1411 OE2 GLU A 94 -22.323 5.855 -2.459 1.00 0.00 O ATOM 0 H GLU A 94 -22.003 6.988 -0.755 1.00 0.00 H new ATOM 0 HA GLU A 94 -24.606 7.419 0.190 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -23.215 5.386 1.722 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -24.600 5.248 0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -21.667 5.259 -0.185 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -22.747 3.879 -0.198 1.00 0.00 H new ATOM 1418 N CYS A 95 -22.102 8.050 2.295 1.00 0.00 N ATOM 1419 CA CYS A 95 -21.852 8.879 3.475 1.00 0.00 C ATOM 1420 C CYS A 95 -22.051 10.356 3.138 1.00 0.00 C ATOM 1421 O CYS A 95 -22.547 11.117 3.964 1.00 0.00 O ATOM 1422 CB CYS A 95 -20.456 8.713 4.093 1.00 0.00 C ATOM 1423 SG CYS A 95 -19.136 8.494 2.873 1.00 0.00 S ATOM 0 H CYS A 95 -21.273 7.696 1.817 1.00 0.00 H new ATOM 0 HA CYS A 95 -22.573 8.533 4.215 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -20.233 9.589 4.703 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -20.465 7.853 4.762 1.00 0.00 H new ATOM 0 HG CYS A 95 -19.397 9.207 1.818 1.00 0.00 H new ATOM 1428 N GLY A 96 -21.693 10.748 1.914 1.00 0.00 N ATOM 1429 CA GLY A 96 -21.685 12.159 1.530 1.00 0.00 C ATOM 1430 C GLY A 96 -20.436 12.878 2.037 1.00 0.00 C ATOM 1431 O GLY A 96 -20.397 14.107 2.054 1.00 0.00 O ATOM 0 H GLY A 96 -21.405 10.109 1.173 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -21.736 12.240 0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -22.573 12.649 1.928 1.00 0.00 H new ATOM 1435 N HIS A 97 -19.461 12.112 2.525 1.00 0.00 N ATOM 1436 CA HIS A 97 -18.325 12.664 3.265 1.00 0.00 C ATOM 1437 C HIS A 97 -16.995 12.362 2.585 1.00 0.00 C ATOM 1438 O HIS A 97 -16.886 11.423 1.800 1.00 0.00 O ATOM 1439 CB HIS A 97 -18.291 12.163 4.712 1.00 0.00 C ATOM 1440 CG HIS A 97 -19.482 12.702 5.458 1.00 0.00 C ATOM 1441 ND1 HIS A 97 -19.587 14.046 5.772 1.00 0.00 N ATOM 1442 CD2 HIS A 97 -20.607 12.113 5.981 1.00 0.00 C ATOM 1443 CE1 HIS A 97 -20.797 14.236 6.325 1.00 0.00 C ATOM 1444 NE2 HIS A 97 -21.514 13.110 6.333 1.00 0.00 N ATOM 0 H HIS A 97 -19.435 11.098 2.420 1.00 0.00 H new ATOM 0 HA HIS A 97 -18.467 13.745 3.273 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -18.299 11.073 4.731 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -17.369 12.483 5.197 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -20.763 11.051 6.100 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -21.146 15.181 6.714 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -22.505 13.003 6.549 1.00 0.00 H new ATOM 1453 N ILE A 98 -16.056 13.292 2.761 1.00 0.00 N ATOM 1454 CA ILE A 98 -14.705 13.168 2.220 1.00 0.00 C ATOM 1455 C ILE A 98 -13.749 12.542 3.230 1.00 0.00 C ATOM 1456 O ILE A 98 -13.848 12.779 4.431 1.00 0.00 O ATOM 1457 CB ILE A 98 -14.200 14.556 1.800 1.00 0.00 C ATOM 1458 CG1 ILE A 98 -12.809 14.483 1.154 1.00 0.00 C ATOM 1459 CG2 ILE A 98 -14.118 15.483 3.017 1.00 0.00 C ATOM 1460 CD1 ILE A 98 -12.812 13.662 -0.137 1.00 0.00 C ATOM 0 H ILE A 98 -16.213 14.154 3.284 1.00 0.00 H new ATOM 0 HA ILE A 98 -14.740 12.508 1.353 1.00 0.00 H new ATOM 0 HB ILE A 98 -14.910 14.946 1.071 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -12.457 15.492 0.940 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -12.105 14.043 1.860 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -13.759 16.463 2.704 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.107 15.585 3.464 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -13.430 15.061 3.750 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.806 13.640 -0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -13.138 12.645 0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -13.495 14.116 -0.855 1.00 0.00 H new ATOM 1472 N MET A 99 -13.041 11.533 2.735 1.00 0.00 N ATOM 1473 CA MET A 99 -12.026 10.818 3.498 1.00 0.00 C ATOM 1474 C MET A 99 -10.644 11.106 2.920 1.00 0.00 C ATOM 1475 O MET A 99 -10.473 11.154 1.704 1.00 0.00 O ATOM 1476 CB MET A 99 -12.300 9.315 3.410 1.00 0.00 C ATOM 1477 CG MET A 99 -13.604 8.965 4.134 1.00 0.00 C ATOM 1478 SD MET A 99 -13.966 7.204 3.915 1.00 0.00 S ATOM 1479 CE MET A 99 -12.623 6.548 4.936 1.00 0.00 C ATOM 0 H MET A 99 -13.157 11.185 1.783 1.00 0.00 H new ATOM 0 HA MET A 99 -12.059 11.146 4.537 1.00 0.00 H new ATOM 0 HB2 MET A 99 -12.364 9.011 2.365 1.00 0.00 H new ATOM 0 HB3 MET A 99 -11.472 8.762 3.852 1.00 0.00 H new ATOM 0 HG2 MET A 99 -13.517 9.200 5.195 1.00 0.00 H new ATOM 0 HG3 MET A 99 -14.423 9.567 3.740 1.00 0.00 H new ATOM 0 HE1 MET A 99 -12.839 5.513 5.201 1.00 0.00 H new ATOM 0 HE2 MET A 99 -11.687 6.592 4.379 1.00 0.00 H new ATOM 0 HE3 MET A 99 -12.532 7.144 5.844 1.00 0.00 H new ATOM 1489 N ARG A 100 -9.678 11.325 3.806 1.00 0.00 N ATOM 1490 CA ARG A 100 -8.301 11.601 3.409 1.00 0.00 C ATOM 1491 C ARG A 100 -7.445 10.352 3.606 1.00 0.00 C ATOM 1492 O ARG A 100 -7.428 9.779 4.694 1.00 0.00 O ATOM 1493 CB ARG A 100 -7.764 12.741 4.279 1.00 0.00 C ATOM 1494 CG ARG A 100 -8.539 14.027 3.979 1.00 0.00 C ATOM 1495 CD ARG A 100 -8.058 15.144 4.907 1.00 0.00 C ATOM 1496 NE ARG A 100 -8.468 14.862 6.278 1.00 0.00 N ATOM 1497 CZ ARG A 100 -8.148 15.671 7.286 1.00 0.00 C ATOM 1498 NH1 ARG A 100 -7.470 16.768 7.073 1.00 0.00 N ATOM 1499 NH2 ARG A 100 -8.474 15.336 8.503 1.00 0.00 N ATOM 0 H ARG A 100 -9.826 11.316 4.815 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.266 11.886 2.357 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.862 12.484 5.334 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.702 12.891 4.084 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -8.393 14.317 2.938 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.607 13.860 4.117 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.973 15.231 4.853 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -8.471 16.100 4.584 1.00 0.00 H new ATOM 0 HE ARG A 100 -9.015 14.022 6.470 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.180 17.013 6.126 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.231 17.380 7.854 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -8.969 14.461 8.676 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.234 15.949 9.282 1.00 0.00 H new ATOM 1513 N TYR A 101 -6.596 10.066 2.620 1.00 0.00 N ATOM 1514 CA TYR A 101 -5.714 8.904 2.675 1.00 0.00 C ATOM 1515 C TYR A 101 -4.276 9.316 2.375 1.00 0.00 C ATOM 1516 O TYR A 101 -3.979 9.735 1.253 1.00 0.00 O ATOM 1517 CB TYR A 101 -6.173 7.857 1.655 1.00 0.00 C ATOM 1518 CG TYR A 101 -6.204 6.487 2.293 1.00 0.00 C ATOM 1519 CD1 TYR A 101 -5.035 5.926 2.829 1.00 0.00 C ATOM 1520 CD2 TYR A 101 -7.405 5.769 2.342 1.00 0.00 C ATOM 1521 CE1 TYR A 101 -5.117 4.753 3.587 1.00 0.00 C ATOM 1522 CE2 TYR A 101 -7.468 4.560 3.039 1.00 0.00 C ATOM 1523 CZ TYR A 101 -6.314 4.029 3.625 1.00 0.00 C ATOM 1524 OH TYR A 101 -6.337 2.762 4.175 1.00 0.00 O ATOM 0 H TYR A 101 -6.501 10.625 1.772 1.00 0.00 H new ATOM 0 HA TYR A 101 -5.757 8.478 3.677 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -7.163 8.114 1.279 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -5.499 7.852 0.799 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -4.078 6.397 2.658 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -8.283 6.150 1.841 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -4.258 4.407 4.142 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.408 4.035 3.125 1.00 0.00 H new ATOM 0 HH TYR A 101 -7.246 2.399 4.123 1.00 0.00 H new ATOM 1534 N PRO A 102 -3.444 9.469 3.416 1.00 0.00 N ATOM 1535 CA PRO A 102 -1.994 9.741 3.218 1.00 0.00 C ATOM 1536 C PRO A 102 -1.303 8.595 2.477 1.00 0.00 C ATOM 1537 O PRO A 102 -1.529 7.423 2.777 1.00 0.00 O ATOM 1538 CB PRO A 102 -1.453 9.915 4.644 1.00 0.00 C ATOM 1539 CG PRO A 102 -2.643 10.150 5.518 1.00 0.00 C ATOM 1540 CD PRO A 102 -3.814 9.441 4.842 1.00 0.00 C ATOM 0 HA PRO A 102 -1.812 10.619 2.598 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.905 9.028 4.963 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -0.760 10.754 4.697 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -2.474 9.755 6.520 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -2.843 11.216 5.625 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.933 8.421 5.208 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.757 9.957 5.024 1.00 0.00 H new ATOM 1548 N TYR A 103 -0.373 8.960 1.598 1.00 0.00 N ATOM 1549 CA TYR A 103 0.611 8.036 1.033 1.00 0.00 C ATOM 1550 C TYR A 103 2.038 8.576 1.107 1.00 0.00 C ATOM 1551 O TYR A 103 2.254 9.783 1.066 1.00 0.00 O ATOM 1552 CB TYR A 103 0.250 7.646 -0.405 1.00 0.00 C ATOM 1553 CG TYR A 103 -0.968 6.748 -0.414 1.00 0.00 C ATOM 1554 CD1 TYR A 103 -2.280 7.250 -0.370 1.00 0.00 C ATOM 1555 CD2 TYR A 103 -0.751 5.366 -0.368 1.00 0.00 C ATOM 1556 CE1 TYR A 103 -3.364 6.353 -0.359 1.00 0.00 C ATOM 1557 CE2 TYR A 103 -1.827 4.483 -0.306 1.00 0.00 C ATOM 1558 CZ TYR A 103 -3.135 4.972 -0.337 1.00 0.00 C ATOM 1559 OH TYR A 103 -4.196 4.093 -0.242 1.00 0.00 O ATOM 0 H TYR A 103 -0.279 9.915 1.253 1.00 0.00 H new ATOM 0 HA TYR A 103 0.579 7.139 1.651 1.00 0.00 H new ATOM 0 HB2 TYR A 103 0.054 8.542 -0.994 1.00 0.00 H new ATOM 0 HB3 TYR A 103 1.091 7.134 -0.873 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -2.455 8.315 -0.345 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.258 4.981 -0.381 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -4.376 6.731 -0.368 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -1.650 3.420 -0.234 1.00 0.00 H new ATOM 0 HH TYR A 103 -3.859 3.173 -0.241 1.00 0.00 H new