USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 576 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 50 THR OG1 : rot -74:sc= 0.211 USER MOD Set 1.2: A 53 GLN : amide:sc= 0.328 K(o=0.54,f=-0.22) USER MOD Set 2.1: A 40 LYS NZ :NH3+ -116:sc= 0.623 (180deg=0) USER MOD Set 2.2: A 55 ASN : amide:sc= -1.36 K(o=-0.74,f=-8.2!) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0228 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 27:sc= 0.41 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.705 X(o=-0.71,f=-0.68) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-2.5!) USER MOD Single : A 19 THR OG1 : rot -6:sc= 0.185 USER MOD Single : A 20 ASN :FLIP amide:sc= -0.327 F(o=-0.86,f=-0.33) USER MOD Single : A 22 MET CE :methyl -156:sc= -0.535 (180deg=-2) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.52 X(o=-0.52,f=-0.5) USER MOD Single : A 29 HIS : no HD1:sc= -5.26 X(o=-5.3,f=-5.5!) USER MOD Single : A 32 HIS : no HD1:sc= -6.06! C(o=-6.1!,f=-5.8!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0334 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot -64:sc= -0.32 USER MOD Single : A 48 ASN : amide:sc= -0.192 K(o=-0.19,f=-2.5!) USER MOD Single : A 56 ASN : amide:sc= -0.5 X(o=-0.5,f=-0.032) USER MOD Single : A 60 ASN : amide:sc= -0.152 K(o=-0.15,f=-2.5!) USER MOD Single : A 67 GLN : amide:sc= -0.145 K(o=-0.15,f=-2.2!) USER MOD Single : A 68 SER OG : rot 180:sc= -0.106 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 16:sc= 0.278 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.424 -12.411 21.588 1.00 0.00 N ATOM 2 CA GLY A 1 0.005 -12.665 21.620 1.00 0.00 C ATOM 3 C GLY A 1 0.586 -12.881 20.237 1.00 0.00 C ATOM 4 O GLY A 1 0.116 -12.298 19.260 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.638 -11.562 22.149 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.728 -12.262 20.605 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.931 -13.227 21.988 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.510 -11.824 22.096 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.201 -13.544 22.235 1.00 0.00 H new ATOM 8 N SER A 2 1.614 -13.720 20.154 1.00 0.00 N ATOM 9 CA SER A 2 2.264 -14.008 18.881 1.00 0.00 C ATOM 10 C SER A 2 2.728 -12.721 18.205 1.00 0.00 C ATOM 11 O SER A 2 2.524 -12.527 17.007 1.00 0.00 O ATOM 12 CB SER A 2 1.310 -14.767 17.956 1.00 0.00 C ATOM 13 OG SER A 2 1.046 -16.068 18.453 1.00 0.00 O ATOM 0 H SER A 2 2.014 -14.212 20.953 1.00 0.00 H new ATOM 0 HA SER A 2 3.137 -14.630 19.080 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.375 -14.214 17.860 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.744 -14.836 16.958 1.00 0.00 H new ATOM 0 HG SER A 2 0.433 -16.532 17.845 1.00 0.00 H new ATOM 19 N SER A 3 3.355 -11.844 18.983 1.00 0.00 N ATOM 20 CA SER A 3 3.846 -10.574 18.462 1.00 0.00 C ATOM 21 C SER A 3 5.370 -10.527 18.493 1.00 0.00 C ATOM 22 O SER A 3 5.987 -10.716 19.541 1.00 0.00 O ATOM 23 CB SER A 3 3.272 -9.410 19.273 1.00 0.00 C ATOM 24 OG SER A 3 3.796 -9.398 20.589 1.00 0.00 O ATOM 0 H SER A 3 3.535 -11.990 19.976 1.00 0.00 H new ATOM 0 HA SER A 3 3.518 -10.483 17.426 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.505 -8.468 18.777 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.186 -9.490 19.312 1.00 0.00 H new ATOM 0 HG SER A 3 4.679 -9.824 20.593 1.00 0.00 H new ATOM 30 N GLY A 4 5.972 -10.272 17.335 1.00 0.00 N ATOM 31 CA GLY A 4 7.420 -10.205 17.251 1.00 0.00 C ATOM 32 C GLY A 4 7.894 -9.171 16.248 1.00 0.00 C ATOM 33 O GLY A 4 8.653 -9.488 15.332 1.00 0.00 O ATOM 0 H GLY A 4 5.483 -10.111 16.454 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.828 -9.967 18.234 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.811 -11.184 16.972 1.00 0.00 H new ATOM 37 N SER A 5 7.445 -7.932 16.420 1.00 0.00 N ATOM 38 CA SER A 5 7.824 -6.850 15.520 1.00 0.00 C ATOM 39 C SER A 5 9.306 -6.518 15.663 1.00 0.00 C ATOM 40 O SER A 5 9.739 -5.985 16.685 1.00 0.00 O ATOM 41 CB SER A 5 6.981 -5.605 15.802 1.00 0.00 C ATOM 42 OG SER A 5 7.497 -4.474 15.120 1.00 0.00 O ATOM 0 H SER A 5 6.818 -7.653 17.175 1.00 0.00 H new ATOM 0 HA SER A 5 7.641 -7.180 14.497 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.951 -5.782 15.492 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.962 -5.410 16.874 1.00 0.00 H new ATOM 0 HG SER A 5 6.940 -3.692 15.315 1.00 0.00 H new ATOM 48 N SER A 6 10.080 -6.837 14.630 1.00 0.00 N ATOM 49 CA SER A 6 11.515 -6.578 14.641 1.00 0.00 C ATOM 50 C SER A 6 11.955 -5.907 13.343 1.00 0.00 C ATOM 51 O SER A 6 11.321 -6.069 12.301 1.00 0.00 O ATOM 52 CB SER A 6 12.289 -7.881 14.843 1.00 0.00 C ATOM 53 OG SER A 6 13.595 -7.628 15.331 1.00 0.00 O ATOM 0 H SER A 6 9.737 -7.275 13.775 1.00 0.00 H new ATOM 0 HA SER A 6 11.731 -5.904 15.470 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.753 -8.521 15.544 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.349 -8.422 13.899 1.00 0.00 H new ATOM 0 HG SER A 6 14.069 -8.477 15.453 1.00 0.00 H new ATOM 59 N GLY A 7 13.048 -5.152 13.415 1.00 0.00 N ATOM 60 CA GLY A 7 13.555 -4.468 12.240 1.00 0.00 C ATOM 61 C GLY A 7 14.909 -3.830 12.481 1.00 0.00 C ATOM 62 O GLY A 7 15.909 -4.235 11.889 1.00 0.00 O ATOM 0 H GLY A 7 13.591 -5.002 14.266 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.632 -5.177 11.416 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.844 -3.700 11.935 1.00 0.00 H new ATOM 66 N LYS A 8 14.942 -2.826 13.351 1.00 0.00 N ATOM 67 CA LYS A 8 16.182 -2.129 13.669 1.00 0.00 C ATOM 68 C LYS A 8 16.827 -1.564 12.408 1.00 0.00 C ATOM 69 O LYS A 8 18.040 -1.661 12.223 1.00 0.00 O ATOM 70 CB LYS A 8 17.157 -3.075 14.374 1.00 0.00 C ATOM 71 CG LYS A 8 16.881 -3.238 15.859 1.00 0.00 C ATOM 72 CD LYS A 8 15.713 -4.177 16.110 1.00 0.00 C ATOM 73 CE LYS A 8 15.091 -3.940 17.477 1.00 0.00 C ATOM 74 NZ LYS A 8 15.939 -4.484 18.574 1.00 0.00 N ATOM 0 H LYS A 8 14.123 -2.477 13.849 1.00 0.00 H new ATOM 0 HA LYS A 8 15.943 -1.301 14.336 1.00 0.00 H new ATOM 0 HB2 LYS A 8 17.111 -4.053 13.895 1.00 0.00 H new ATOM 0 HB3 LYS A 8 18.172 -2.702 14.241 1.00 0.00 H new ATOM 0 HG2 LYS A 8 17.772 -3.623 16.355 1.00 0.00 H new ATOM 0 HG3 LYS A 8 16.667 -2.264 16.299 1.00 0.00 H new ATOM 0 HD2 LYS A 8 14.958 -4.035 15.336 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.053 -5.210 16.038 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.943 -2.871 17.628 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.106 -4.406 17.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.481 -4.302 19.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.059 -5.509 18.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.870 -4.021 18.555 1.00 0.00 H new ATOM 88 N ASN A 9 16.009 -0.972 11.544 1.00 0.00 N ATOM 89 CA ASN A 9 16.501 -0.391 10.301 1.00 0.00 C ATOM 90 C ASN A 9 15.719 0.870 9.943 1.00 0.00 C ATOM 91 O ASN A 9 14.679 1.158 10.536 1.00 0.00 O ATOM 92 CB ASN A 9 16.399 -1.408 9.162 1.00 0.00 C ATOM 93 CG ASN A 9 17.265 -1.035 7.974 1.00 0.00 C ATOM 94 OD1 ASN A 9 18.485 -0.919 8.094 1.00 0.00 O ATOM 95 ND2 ASN A 9 16.636 -0.845 6.820 1.00 0.00 N ATOM 0 H ASN A 9 15.002 -0.882 11.682 1.00 0.00 H new ATOM 0 HA ASN A 9 17.547 -0.121 10.445 1.00 0.00 H new ATOM 0 HB2 ASN A 9 16.694 -2.391 9.529 1.00 0.00 H new ATOM 0 HB3 ASN A 9 15.360 -1.486 8.841 1.00 0.00 H new ATOM 0 HD21 ASN A 9 17.166 -0.592 5.986 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.623 -0.952 6.768 1.00 0.00 H new ATOM 102 N LYS A 10 16.227 1.618 8.969 1.00 0.00 N ATOM 103 CA LYS A 10 15.577 2.846 8.530 1.00 0.00 C ATOM 104 C LYS A 10 15.301 2.810 7.030 1.00 0.00 C ATOM 105 O LYS A 10 14.181 3.067 6.589 1.00 0.00 O ATOM 106 CB LYS A 10 16.448 4.058 8.869 1.00 0.00 C ATOM 107 CG LYS A 10 15.655 5.335 9.086 1.00 0.00 C ATOM 108 CD LYS A 10 16.371 6.282 10.035 1.00 0.00 C ATOM 109 CE LYS A 10 15.563 7.548 10.274 1.00 0.00 C ATOM 110 NZ LYS A 10 15.796 8.563 9.210 1.00 0.00 N ATOM 0 H LYS A 10 17.087 1.394 8.469 1.00 0.00 H new ATOM 0 HA LYS A 10 14.626 2.931 9.055 1.00 0.00 H new ATOM 0 HB2 LYS A 10 17.024 3.841 9.768 1.00 0.00 H new ATOM 0 HB3 LYS A 10 17.164 4.217 8.063 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.493 5.831 8.129 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.672 5.090 9.488 1.00 0.00 H new ATOM 0 HD2 LYS A 10 16.551 5.779 10.985 1.00 0.00 H new ATOM 0 HD3 LYS A 10 17.346 6.544 9.623 1.00 0.00 H new ATOM 0 HE2 LYS A 10 14.502 7.300 10.313 1.00 0.00 H new ATOM 0 HE3 LYS A 10 15.828 7.970 11.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 15.228 9.411 9.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 16.804 8.819 9.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 15.519 8.169 8.288 1.00 0.00 H new ATOM 124 N ARG A 11 16.329 2.488 6.251 1.00 0.00 N ATOM 125 CA ARG A 11 16.197 2.417 4.801 1.00 0.00 C ATOM 126 C ARG A 11 15.051 1.490 4.404 1.00 0.00 C ATOM 127 O ARG A 11 14.757 0.518 5.098 1.00 0.00 O ATOM 128 CB ARG A 11 17.503 1.930 4.172 1.00 0.00 C ATOM 129 CG ARG A 11 18.700 2.809 4.495 1.00 0.00 C ATOM 130 CD ARG A 11 19.846 2.569 3.524 1.00 0.00 C ATOM 131 NE ARG A 11 20.936 3.521 3.718 1.00 0.00 N ATOM 132 CZ ARG A 11 21.898 3.729 2.826 1.00 0.00 C ATOM 133 NH1 ARG A 11 21.904 3.055 1.684 1.00 0.00 N ATOM 134 NH2 ARG A 11 22.856 4.613 3.074 1.00 0.00 N ATOM 0 H ARG A 11 17.263 2.272 6.600 1.00 0.00 H new ATOM 0 HA ARG A 11 15.976 3.418 4.432 1.00 0.00 H new ATOM 0 HB2 ARG A 11 17.705 0.915 4.515 1.00 0.00 H new ATOM 0 HB3 ARG A 11 17.380 1.882 3.090 1.00 0.00 H new ATOM 0 HG2 ARG A 11 18.404 3.857 4.458 1.00 0.00 H new ATOM 0 HG3 ARG A 11 19.036 2.609 5.512 1.00 0.00 H new ATOM 0 HD2 ARG A 11 20.224 1.555 3.652 1.00 0.00 H new ATOM 0 HD3 ARG A 11 19.476 2.644 2.501 1.00 0.00 H new ATOM 0 HE ARG A 11 20.960 4.056 4.586 1.00 0.00 H new ATOM 0 HH11 ARG A 11 21.169 2.375 1.489 1.00 0.00 H new ATOM 0 HH12 ARG A 11 22.644 3.216 1.000 1.00 0.00 H new ATOM 0 HH21 ARG A 11 22.855 5.134 3.951 1.00 0.00 H new ATOM 0 HH22 ARG A 11 23.594 4.771 2.388 1.00 0.00 H new ATOM 148 N GLY A 12 14.408 1.800 3.282 1.00 0.00 N ATOM 149 CA GLY A 12 13.302 0.985 2.813 1.00 0.00 C ATOM 150 C GLY A 12 12.310 1.777 1.984 1.00 0.00 C ATOM 151 O GLY A 12 11.147 1.916 2.361 1.00 0.00 O ATOM 0 H GLY A 12 14.633 2.600 2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.690 0.159 2.218 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.788 0.548 3.669 1.00 0.00 H new ATOM 155 N VAL A 13 12.771 2.300 0.852 1.00 0.00 N ATOM 156 CA VAL A 13 11.916 3.083 -0.032 1.00 0.00 C ATOM 157 C VAL A 13 11.083 2.179 -0.933 1.00 0.00 C ATOM 158 O VAL A 13 11.454 1.034 -1.197 1.00 0.00 O ATOM 159 CB VAL A 13 12.743 4.042 -0.908 1.00 0.00 C ATOM 160 CG1 VAL A 13 13.480 5.054 -0.044 1.00 0.00 C ATOM 161 CG2 VAL A 13 13.717 3.262 -1.778 1.00 0.00 C ATOM 0 H VAL A 13 13.732 2.195 0.526 1.00 0.00 H new ATOM 0 HA VAL A 13 11.252 3.667 0.605 1.00 0.00 H new ATOM 0 HB VAL A 13 12.062 4.587 -1.562 1.00 0.00 H new ATOM 0 HG11 VAL A 13 14.059 5.723 -0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.759 5.635 0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 13 14.151 4.531 0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 13 14.293 3.955 -2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 13 14.394 2.690 -1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.163 2.581 -2.424 1.00 0.00 H new ATOM 171 N LEU A 14 9.955 2.700 -1.405 1.00 0.00 N ATOM 172 CA LEU A 14 9.068 1.940 -2.279 1.00 0.00 C ATOM 173 C LEU A 14 8.509 2.824 -3.389 1.00 0.00 C ATOM 174 O LEU A 14 8.385 4.040 -3.244 1.00 0.00 O ATOM 175 CB LEU A 14 7.922 1.331 -1.470 1.00 0.00 C ATOM 176 CG LEU A 14 8.321 0.310 -0.403 1.00 0.00 C ATOM 177 CD1 LEU A 14 7.118 -0.077 0.443 1.00 0.00 C ATOM 178 CD2 LEU A 14 8.940 -0.921 -1.049 1.00 0.00 C ATOM 0 H LEU A 14 9.633 3.645 -1.197 1.00 0.00 H new ATOM 0 HA LEU A 14 9.648 1.138 -2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.377 2.140 -0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.230 0.851 -2.162 1.00 0.00 H new ATOM 0 HG LEU A 14 9.065 0.767 0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.422 -0.804 1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.719 0.810 0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.350 -0.515 -0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.218 -1.637 -0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.218 -1.379 -1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.828 -0.630 -1.610 1.00 0.00 H new ATOM 190 N PRO A 15 8.160 2.200 -4.524 1.00 0.00 N ATOM 191 CA PRO A 15 7.606 2.911 -5.680 1.00 0.00 C ATOM 192 C PRO A 15 6.196 3.431 -5.418 1.00 0.00 C ATOM 193 O PRO A 15 5.391 2.772 -4.760 1.00 0.00 O ATOM 194 CB PRO A 15 7.586 1.843 -6.776 1.00 0.00 C ATOM 195 CG PRO A 15 7.515 0.548 -6.043 1.00 0.00 C ATOM 196 CD PRO A 15 8.281 0.752 -4.766 1.00 0.00 C ATOM 0 HA PRO A 15 8.192 3.793 -5.936 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.729 1.971 -7.437 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.480 1.897 -7.398 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.481 0.272 -5.838 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.949 -0.259 -6.634 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.858 0.171 -3.946 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.322 0.447 -4.869 1.00 0.00 H new ATOM 204 N LYS A 16 5.904 4.619 -5.938 1.00 0.00 N ATOM 205 CA LYS A 16 4.591 5.228 -5.763 1.00 0.00 C ATOM 206 C LYS A 16 3.481 4.215 -6.023 1.00 0.00 C ATOM 207 O LYS A 16 2.457 4.210 -5.339 1.00 0.00 O ATOM 208 CB LYS A 16 4.432 6.426 -6.701 1.00 0.00 C ATOM 209 CG LYS A 16 3.495 7.496 -6.170 1.00 0.00 C ATOM 210 CD LYS A 16 3.638 8.797 -6.941 1.00 0.00 C ATOM 211 CE LYS A 16 3.057 9.971 -6.168 1.00 0.00 C ATOM 212 NZ LYS A 16 3.557 11.276 -6.682 1.00 0.00 N ATOM 0 H LYS A 16 6.559 5.179 -6.484 1.00 0.00 H new ATOM 0 HA LYS A 16 4.512 5.569 -4.731 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.412 6.869 -6.879 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.061 6.076 -7.664 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.465 7.144 -6.236 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.704 7.673 -5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.691 8.983 -7.150 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.133 8.708 -7.903 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.969 9.947 -6.235 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.314 9.874 -5.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.138 12.051 -6.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.593 11.310 -6.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.290 11.381 -7.682 1.00 0.00 H new ATOM 226 N HIS A 17 3.691 3.356 -7.016 1.00 0.00 N ATOM 227 CA HIS A 17 2.709 2.336 -7.365 1.00 0.00 C ATOM 228 C HIS A 17 2.370 1.471 -6.155 1.00 0.00 C ATOM 229 O HIS A 17 1.218 1.086 -5.958 1.00 0.00 O ATOM 230 CB HIS A 17 3.235 1.459 -8.502 1.00 0.00 C ATOM 231 CG HIS A 17 2.306 0.346 -8.879 1.00 0.00 C ATOM 232 ND1 HIS A 17 0.936 0.491 -8.919 1.00 0.00 N ATOM 233 CD2 HIS A 17 2.559 -0.935 -9.237 1.00 0.00 C ATOM 234 CE1 HIS A 17 0.385 -0.654 -9.283 1.00 0.00 C ATOM 235 NE2 HIS A 17 1.348 -1.535 -9.482 1.00 0.00 N ATOM 0 H HIS A 17 4.532 3.346 -7.593 1.00 0.00 H new ATOM 0 HA HIS A 17 1.801 2.840 -7.695 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.415 2.083 -9.377 1.00 0.00 H new ATOM 0 HB3 HIS A 17 4.196 1.036 -8.209 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.531 -1.398 -9.315 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -0.673 -0.838 -9.398 1.00 0.00 H new ATOM 0 HE2 HIS A 17 1.214 -2.504 -9.771 1.00 0.00 H new ATOM 244 N ALA A 18 3.382 1.168 -5.348 1.00 0.00 N ATOM 245 CA ALA A 18 3.190 0.350 -4.157 1.00 0.00 C ATOM 246 C ALA A 18 2.474 1.134 -3.062 1.00 0.00 C ATOM 247 O ALA A 18 1.507 0.653 -2.471 1.00 0.00 O ATOM 248 CB ALA A 18 4.529 -0.165 -3.650 1.00 0.00 C ATOM 0 H ALA A 18 4.343 1.477 -5.498 1.00 0.00 H new ATOM 0 HA ALA A 18 2.564 -0.500 -4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.371 -0.774 -2.760 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.003 -0.769 -4.424 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.173 0.679 -3.402 1.00 0.00 H new ATOM 254 N THR A 19 2.955 2.344 -2.795 1.00 0.00 N ATOM 255 CA THR A 19 2.362 3.193 -1.770 1.00 0.00 C ATOM 256 C THR A 19 0.922 3.550 -2.117 1.00 0.00 C ATOM 257 O THR A 19 0.098 3.777 -1.232 1.00 0.00 O ATOM 258 CB THR A 19 3.169 4.491 -1.580 1.00 0.00 C ATOM 259 OG1 THR A 19 3.247 5.205 -2.819 1.00 0.00 O ATOM 260 CG2 THR A 19 4.572 4.188 -1.074 1.00 0.00 C ATOM 0 H THR A 19 3.754 2.758 -3.275 1.00 0.00 H new ATOM 0 HA THR A 19 2.378 2.624 -0.840 1.00 0.00 H new ATOM 0 HB THR A 19 2.658 5.105 -0.839 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.854 4.663 -3.534 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.122 5.120 -0.948 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.510 3.671 -0.117 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.090 3.556 -1.795 1.00 0.00 H new ATOM 268 N ASN A 20 0.624 3.596 -3.412 1.00 0.00 N ATOM 269 CA ASN A 20 -0.719 3.925 -3.876 1.00 0.00 C ATOM 270 C ASN A 20 -1.743 2.939 -3.321 1.00 0.00 C ATOM 271 O ASN A 20 -2.663 3.324 -2.599 1.00 0.00 O ATOM 272 CB ASN A 20 -0.767 3.922 -5.405 1.00 0.00 C ATOM 273 CG ASN A 20 -0.447 5.282 -5.996 1.00 0.00 C ATOM 274 OD1 ASN A 20 0.448 5.304 -6.977 1.00 0.00 O flip ATOM 275 ND2 ASN A 20 -0.998 6.299 -5.576 1.00 0.00 N flip ATOM 0 H ASN A 20 1.294 3.410 -4.158 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.968 4.922 -3.513 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.058 3.187 -5.787 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.758 3.610 -5.734 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -1.680 6.235 -4.820 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.773 7.206 -5.984 1.00 0.00 H new ATOM 282 N VAL A 21 -1.576 1.666 -3.664 1.00 0.00 N ATOM 283 CA VAL A 21 -2.484 0.624 -3.200 1.00 0.00 C ATOM 284 C VAL A 21 -2.651 0.675 -1.685 1.00 0.00 C ATOM 285 O VAL A 21 -3.758 0.857 -1.179 1.00 0.00 O ATOM 286 CB VAL A 21 -1.985 -0.776 -3.604 1.00 0.00 C ATOM 287 CG1 VAL A 21 -2.899 -1.852 -3.037 1.00 0.00 C ATOM 288 CG2 VAL A 21 -1.887 -0.890 -5.117 1.00 0.00 C ATOM 0 H VAL A 21 -0.820 1.331 -4.262 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.447 0.809 -3.675 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.989 -0.923 -3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.531 -2.835 -3.332 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.913 -1.782 -1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.909 -1.712 -3.422 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.533 -1.886 -5.385 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.869 -0.723 -5.559 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.188 -0.143 -5.494 1.00 0.00 H new ATOM 298 N MET A 22 -1.544 0.514 -0.968 1.00 0.00 N ATOM 299 CA MET A 22 -1.567 0.543 0.490 1.00 0.00 C ATOM 300 C MET A 22 -2.257 1.806 0.997 1.00 0.00 C ATOM 301 O MET A 22 -3.065 1.754 1.924 1.00 0.00 O ATOM 302 CB MET A 22 -0.144 0.467 1.046 1.00 0.00 C ATOM 303 CG MET A 22 0.556 -0.849 0.745 1.00 0.00 C ATOM 304 SD MET A 22 1.972 -1.144 1.822 1.00 0.00 S ATOM 305 CE MET A 22 3.325 -0.746 0.718 1.00 0.00 C ATOM 0 H MET A 22 -0.620 0.362 -1.372 1.00 0.00 H new ATOM 0 HA MET A 22 -2.131 -0.323 0.837 1.00 0.00 H new ATOM 0 HB2 MET A 22 0.444 1.285 0.630 1.00 0.00 H new ATOM 0 HB3 MET A 22 -0.176 0.614 2.126 1.00 0.00 H new ATOM 0 HG2 MET A 22 -0.155 -1.668 0.854 1.00 0.00 H new ATOM 0 HG3 MET A 22 0.887 -0.851 -0.293 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.228 -1.260 1.049 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.075 -1.066 -0.294 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.496 0.330 0.726 1.00 0.00 H new ATOM 315 N ARG A 23 -1.932 2.939 0.383 1.00 0.00 N ATOM 316 CA ARG A 23 -2.519 4.215 0.774 1.00 0.00 C ATOM 317 C ARG A 23 -4.042 4.161 0.693 1.00 0.00 C ATOM 318 O ARG A 23 -4.733 4.319 1.699 1.00 0.00 O ATOM 319 CB ARG A 23 -1.990 5.339 -0.119 1.00 0.00 C ATOM 320 CG ARG A 23 -0.729 5.999 0.415 1.00 0.00 C ATOM 321 CD ARG A 23 -0.361 7.233 -0.394 1.00 0.00 C ATOM 322 NE ARG A 23 -1.172 8.391 -0.027 1.00 0.00 N ATOM 323 CZ ARG A 23 -1.324 9.457 -0.803 1.00 0.00 C ATOM 324 NH1 ARG A 23 -0.723 9.513 -1.984 1.00 0.00 N ATOM 325 NH2 ARG A 23 -2.078 10.472 -0.399 1.00 0.00 N ATOM 0 H ARG A 23 -1.266 2.999 -0.387 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.234 4.416 1.807 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.787 4.938 -1.112 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.766 6.096 -0.233 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.877 6.277 1.458 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.095 5.286 0.389 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.693 7.466 -0.241 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.490 7.022 -1.456 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.648 8.380 0.875 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.142 8.736 -2.298 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.842 10.334 -2.578 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.541 10.433 0.509 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.194 11.291 -0.996 1.00 0.00 H new ATOM 339 N SER A 24 -4.557 3.936 -0.511 1.00 0.00 N ATOM 340 CA SER A 24 -5.998 3.864 -0.724 1.00 0.00 C ATOM 341 C SER A 24 -6.660 2.979 0.327 1.00 0.00 C ATOM 342 O SER A 24 -7.571 3.411 1.034 1.00 0.00 O ATOM 343 CB SER A 24 -6.302 3.327 -2.124 1.00 0.00 C ATOM 344 OG SER A 24 -7.632 3.628 -2.509 1.00 0.00 O ATOM 0 H SER A 24 -3.999 3.800 -1.354 1.00 0.00 H new ATOM 0 HA SER A 24 -6.404 4.871 -0.633 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.606 3.760 -2.842 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.150 2.248 -2.144 1.00 0.00 H new ATOM 0 HG SER A 24 -7.800 3.276 -3.408 1.00 0.00 H new ATOM 350 N TRP A 25 -6.195 1.739 0.424 1.00 0.00 N ATOM 351 CA TRP A 25 -6.741 0.791 1.389 1.00 0.00 C ATOM 352 C TRP A 25 -6.747 1.386 2.793 1.00 0.00 C ATOM 353 O TRP A 25 -7.790 1.459 3.443 1.00 0.00 O ATOM 354 CB TRP A 25 -5.932 -0.507 1.375 1.00 0.00 C ATOM 355 CG TRP A 25 -6.369 -1.491 2.417 1.00 0.00 C ATOM 356 CD1 TRP A 25 -7.314 -2.467 2.277 1.00 0.00 C ATOM 357 CD2 TRP A 25 -5.880 -1.593 3.759 1.00 0.00 C ATOM 358 NE1 TRP A 25 -7.442 -3.169 3.451 1.00 0.00 N ATOM 359 CE2 TRP A 25 -6.572 -2.653 4.375 1.00 0.00 C ATOM 360 CE3 TRP A 25 -4.923 -0.893 4.498 1.00 0.00 C ATOM 361 CZ2 TRP A 25 -6.337 -3.027 5.696 1.00 0.00 C ATOM 362 CZ3 TRP A 25 -4.691 -1.265 5.809 1.00 0.00 C ATOM 363 CH2 TRP A 25 -5.395 -2.325 6.397 1.00 0.00 C ATOM 0 H TRP A 25 -5.441 1.366 -0.153 1.00 0.00 H new ATOM 0 HA TRP A 25 -7.770 0.572 1.103 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -6.017 -0.969 0.391 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -4.879 -0.272 1.527 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -7.878 -2.659 1.376 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -8.081 -3.948 3.609 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -4.374 -0.076 4.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -6.879 -3.843 6.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -3.955 -0.730 6.390 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -5.190 -2.593 7.423 1.00 0.00 H new ATOM 374 N LEU A 26 -5.576 1.811 3.255 1.00 0.00 N ATOM 375 CA LEU A 26 -5.446 2.400 4.584 1.00 0.00 C ATOM 376 C LEU A 26 -6.515 3.463 4.815 1.00 0.00 C ATOM 377 O LEU A 26 -7.186 3.469 5.847 1.00 0.00 O ATOM 378 CB LEU A 26 -4.055 3.014 4.757 1.00 0.00 C ATOM 379 CG LEU A 26 -3.615 3.281 6.196 1.00 0.00 C ATOM 380 CD1 LEU A 26 -2.894 2.070 6.768 1.00 0.00 C ATOM 381 CD2 LEU A 26 -2.724 4.514 6.261 1.00 0.00 C ATOM 0 H LEU A 26 -4.703 1.759 2.730 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.582 1.608 5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.326 2.350 4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.024 3.955 4.208 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.504 3.467 6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.588 2.279 7.793 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.563 1.210 6.757 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.013 1.852 6.164 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.420 4.689 7.293 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.839 4.357 5.644 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.274 5.380 5.893 1.00 0.00 H new ATOM 393 N PHE A 27 -6.670 4.359 3.846 1.00 0.00 N ATOM 394 CA PHE A 27 -7.659 5.427 3.943 1.00 0.00 C ATOM 395 C PHE A 27 -9.066 4.853 4.089 1.00 0.00 C ATOM 396 O PHE A 27 -9.843 5.298 4.934 1.00 0.00 O ATOM 397 CB PHE A 27 -7.590 6.329 2.709 1.00 0.00 C ATOM 398 CG PHE A 27 -6.305 7.098 2.600 1.00 0.00 C ATOM 399 CD1 PHE A 27 -5.857 7.878 3.654 1.00 0.00 C ATOM 400 CD2 PHE A 27 -5.544 7.041 1.443 1.00 0.00 C ATOM 401 CE1 PHE A 27 -4.675 8.587 3.557 1.00 0.00 C ATOM 402 CE2 PHE A 27 -4.361 7.747 1.341 1.00 0.00 C ATOM 403 CZ PHE A 27 -3.926 8.522 2.398 1.00 0.00 C ATOM 0 H PHE A 27 -6.124 4.367 2.985 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.432 6.019 4.830 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.716 5.718 1.815 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.423 7.031 2.735 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.439 7.932 4.562 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.880 6.438 0.612 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.337 9.191 4.386 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.776 7.693 0.435 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.002 9.076 2.319 1.00 0.00 H new ATOM 413 N GLN A 28 -9.384 3.864 3.261 1.00 0.00 N ATOM 414 CA GLN A 28 -10.697 3.230 3.297 1.00 0.00 C ATOM 415 C GLN A 28 -10.991 2.666 4.683 1.00 0.00 C ATOM 416 O GLN A 28 -12.136 2.675 5.138 1.00 0.00 O ATOM 417 CB GLN A 28 -10.778 2.116 2.252 1.00 0.00 C ATOM 418 CG GLN A 28 -10.954 2.625 0.831 1.00 0.00 C ATOM 419 CD GLN A 28 -11.991 3.727 0.731 1.00 0.00 C ATOM 420 OE1 GLN A 28 -11.701 4.827 0.259 1.00 0.00 O ATOM 421 NE2 GLN A 28 -13.208 3.436 1.175 1.00 0.00 N ATOM 0 H GLN A 28 -8.751 3.484 2.557 1.00 0.00 H new ATOM 0 HA GLN A 28 -11.445 3.989 3.067 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.870 1.515 2.304 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -11.611 1.458 2.499 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -9.998 2.996 0.461 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.246 1.797 0.186 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.403 2.511 1.558 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.947 4.137 1.133 1.00 0.00 H new ATOM 430 N HIS A 29 -9.951 2.177 5.350 1.00 0.00 N ATOM 431 CA HIS A 29 -10.098 1.609 6.686 1.00 0.00 C ATOM 432 C HIS A 29 -9.341 2.441 7.717 1.00 0.00 C ATOM 433 O HIS A 29 -8.828 1.909 8.701 1.00 0.00 O ATOM 434 CB HIS A 29 -9.593 0.166 6.708 1.00 0.00 C ATOM 435 CG HIS A 29 -9.873 -0.586 5.443 1.00 0.00 C ATOM 436 ND1 HIS A 29 -11.112 -1.106 5.134 1.00 0.00 N ATOM 437 CD2 HIS A 29 -9.065 -0.902 4.404 1.00 0.00 C ATOM 438 CE1 HIS A 29 -11.054 -1.711 3.962 1.00 0.00 C ATOM 439 NE2 HIS A 29 -9.822 -1.602 3.497 1.00 0.00 N ATOM 0 H HIS A 29 -8.998 2.162 4.988 1.00 0.00 H new ATOM 0 HA HIS A 29 -11.157 1.620 6.944 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.518 0.169 6.889 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.056 -0.360 7.543 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -8.019 -0.650 4.306 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -11.874 -2.210 3.467 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.488 -1.977 2.609 1.00 0.00 H new ATOM 448 N ILE A 30 -9.276 3.747 7.483 1.00 0.00 N ATOM 449 CA ILE A 30 -8.582 4.651 8.391 1.00 0.00 C ATOM 450 C ILE A 30 -8.919 4.336 9.844 1.00 0.00 C ATOM 451 O ILE A 30 -8.036 4.284 10.700 1.00 0.00 O ATOM 452 CB ILE A 30 -8.936 6.122 8.101 1.00 0.00 C ATOM 453 CG1 ILE A 30 -8.166 7.050 9.043 1.00 0.00 C ATOM 454 CG2 ILE A 30 -10.435 6.343 8.239 1.00 0.00 C ATOM 455 CD1 ILE A 30 -6.789 7.417 8.537 1.00 0.00 C ATOM 0 H ILE A 30 -9.695 4.203 6.673 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.514 4.504 8.228 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.647 6.355 7.076 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.744 7.962 9.194 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.070 6.569 10.016 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.670 7.387 8.031 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.964 5.704 7.531 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.747 6.096 9.254 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.301 8.076 9.255 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.194 6.512 8.413 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.878 7.927 7.578 1.00 0.00 H new ATOM 467 N GLY A 31 -10.203 4.124 10.116 1.00 0.00 N ATOM 468 CA GLY A 31 -10.634 3.814 11.467 1.00 0.00 C ATOM 469 C GLY A 31 -9.899 2.625 12.052 1.00 0.00 C ATOM 470 O GLY A 31 -9.453 2.665 13.199 1.00 0.00 O ATOM 0 H GLY A 31 -10.952 4.161 9.425 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.476 4.684 12.104 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.705 3.610 11.466 1.00 0.00 H new ATOM 474 N HIS A 32 -9.772 1.563 11.263 1.00 0.00 N ATOM 475 CA HIS A 32 -9.086 0.356 11.711 1.00 0.00 C ATOM 476 C HIS A 32 -8.134 -0.159 10.635 1.00 0.00 C ATOM 477 O HIS A 32 -8.460 -1.060 9.863 1.00 0.00 O ATOM 478 CB HIS A 32 -10.101 -0.730 12.071 1.00 0.00 C ATOM 479 CG HIS A 32 -9.499 -1.899 12.786 1.00 0.00 C ATOM 480 ND1 HIS A 32 -9.210 -1.889 14.134 1.00 0.00 N ATOM 481 CD2 HIS A 32 -9.133 -3.122 12.333 1.00 0.00 C ATOM 482 CE1 HIS A 32 -8.690 -3.054 14.479 1.00 0.00 C ATOM 483 NE2 HIS A 32 -8.633 -3.820 13.405 1.00 0.00 N ATOM 0 H HIS A 32 -10.135 1.513 10.311 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.504 0.607 12.598 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.880 -0.294 12.696 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.583 -1.082 11.159 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -9.218 -3.481 11.318 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.367 -3.332 15.471 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -8.276 -4.775 13.376 1.00 0.00 H new ATOM 492 N PRO A 33 -6.929 0.428 10.581 1.00 0.00 N ATOM 493 CA PRO A 33 -5.905 0.045 9.604 1.00 0.00 C ATOM 494 C PRO A 33 -5.328 -1.339 9.881 1.00 0.00 C ATOM 495 O PRO A 33 -4.241 -1.468 10.444 1.00 0.00 O ATOM 496 CB PRO A 33 -4.828 1.118 9.780 1.00 0.00 C ATOM 497 CG PRO A 33 -5.001 1.602 11.179 1.00 0.00 C ATOM 498 CD PRO A 33 -6.473 1.509 11.471 1.00 0.00 C ATOM 0 HA PRO A 33 -6.308 -0.012 8.593 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.831 0.707 9.624 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -4.955 1.928 9.062 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.426 0.993 11.876 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.647 2.627 11.284 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -6.661 1.273 12.519 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -6.985 2.448 11.259 1.00 0.00 H new ATOM 506 N TYR A 34 -6.062 -2.372 9.482 1.00 0.00 N ATOM 507 CA TYR A 34 -5.624 -3.747 9.689 1.00 0.00 C ATOM 508 C TYR A 34 -5.886 -4.595 8.448 1.00 0.00 C ATOM 509 O TYR A 34 -7.024 -4.940 8.129 1.00 0.00 O ATOM 510 CB TYR A 34 -6.338 -4.355 10.897 1.00 0.00 C ATOM 511 CG TYR A 34 -5.839 -3.830 12.224 1.00 0.00 C ATOM 512 CD1 TYR A 34 -6.155 -2.546 12.648 1.00 0.00 C ATOM 513 CD2 TYR A 34 -5.051 -4.620 13.053 1.00 0.00 C ATOM 514 CE1 TYR A 34 -5.700 -2.062 13.860 1.00 0.00 C ATOM 515 CE2 TYR A 34 -4.593 -4.145 14.267 1.00 0.00 C ATOM 516 CZ TYR A 34 -4.919 -2.865 14.665 1.00 0.00 C ATOM 517 OH TYR A 34 -4.465 -2.387 15.873 1.00 0.00 O ATOM 0 H TYR A 34 -6.963 -2.283 9.013 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.551 -3.735 9.878 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.406 -4.155 10.815 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.214 -5.438 10.875 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.767 -1.915 12.020 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.792 -5.622 12.743 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.954 -1.061 14.175 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.983 -4.772 14.901 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.930 -3.077 16.318 1.00 0.00 H new ATOM 527 N PRO A 35 -4.807 -4.940 7.730 1.00 0.00 N ATOM 528 CA PRO A 35 -4.893 -5.753 6.513 1.00 0.00 C ATOM 529 C PRO A 35 -5.281 -7.198 6.808 1.00 0.00 C ATOM 530 O PRO A 35 -4.786 -7.804 7.759 1.00 0.00 O ATOM 531 CB PRO A 35 -3.475 -5.686 5.941 1.00 0.00 C ATOM 532 CG PRO A 35 -2.604 -5.416 7.119 1.00 0.00 C ATOM 533 CD PRO A 35 -3.420 -4.564 8.051 1.00 0.00 C ATOM 0 HA PRO A 35 -5.660 -5.386 5.831 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -3.201 -6.621 5.452 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.386 -4.897 5.194 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.303 -6.345 7.603 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -1.691 -4.902 6.819 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.180 -4.767 9.095 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.243 -3.502 7.884 1.00 0.00 H new ATOM 541 N THR A 36 -6.169 -7.747 5.985 1.00 0.00 N ATOM 542 CA THR A 36 -6.624 -9.121 6.158 1.00 0.00 C ATOM 543 C THR A 36 -5.723 -10.096 5.409 1.00 0.00 C ATOM 544 O THR A 36 -5.208 -9.781 4.337 1.00 0.00 O ATOM 545 CB THR A 36 -8.074 -9.299 5.668 1.00 0.00 C ATOM 546 OG1 THR A 36 -8.155 -9.018 4.266 1.00 0.00 O ATOM 547 CG2 THR A 36 -9.019 -8.381 6.429 1.00 0.00 C ATOM 0 H THR A 36 -6.587 -7.261 5.192 1.00 0.00 H new ATOM 0 HA THR A 36 -6.581 -9.337 7.226 1.00 0.00 H new ATOM 0 HB THR A 36 -8.371 -10.332 5.849 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.079 -9.135 3.962 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.037 -8.524 6.066 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.977 -8.616 7.492 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.721 -7.344 6.275 1.00 0.00 H new ATOM 555 N GLU A 37 -5.539 -11.283 5.980 1.00 0.00 N ATOM 556 CA GLU A 37 -4.700 -12.304 5.365 1.00 0.00 C ATOM 557 C GLU A 37 -4.817 -12.261 3.844 1.00 0.00 C ATOM 558 O GLU A 37 -3.855 -12.539 3.128 1.00 0.00 O ATOM 559 CB GLU A 37 -5.088 -13.692 5.878 1.00 0.00 C ATOM 560 CG GLU A 37 -4.887 -13.866 7.374 1.00 0.00 C ATOM 561 CD GLU A 37 -3.423 -13.937 7.762 1.00 0.00 C ATOM 562 OE1 GLU A 37 -2.808 -15.006 7.561 1.00 0.00 O ATOM 563 OE2 GLU A 37 -2.892 -12.926 8.265 1.00 0.00 O ATOM 0 H GLU A 37 -5.960 -11.560 6.867 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.665 -12.100 5.639 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.134 -13.880 5.636 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.499 -14.443 5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.358 -13.035 7.899 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.390 -14.776 7.701 1.00 0.00 H new ATOM 570 N ASP A 38 -6.003 -11.911 3.358 1.00 0.00 N ATOM 571 CA ASP A 38 -6.247 -11.831 1.922 1.00 0.00 C ATOM 572 C ASP A 38 -5.642 -10.558 1.339 1.00 0.00 C ATOM 573 O ASP A 38 -4.977 -10.594 0.304 1.00 0.00 O ATOM 574 CB ASP A 38 -7.749 -11.875 1.636 1.00 0.00 C ATOM 575 CG ASP A 38 -8.266 -13.291 1.474 1.00 0.00 C ATOM 576 OD1 ASP A 38 -7.597 -14.092 0.789 1.00 0.00 O ATOM 577 OD2 ASP A 38 -9.341 -13.597 2.031 1.00 0.00 O ATOM 0 H ASP A 38 -6.810 -11.678 3.937 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.770 -12.689 1.448 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -8.285 -11.386 2.449 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.960 -11.308 0.729 1.00 0.00 H new ATOM 582 N GLU A 39 -5.880 -9.435 2.009 1.00 0.00 N ATOM 583 CA GLU A 39 -5.359 -8.150 1.555 1.00 0.00 C ATOM 584 C GLU A 39 -3.842 -8.200 1.406 1.00 0.00 C ATOM 585 O GLU A 39 -3.283 -7.676 0.442 1.00 0.00 O ATOM 586 CB GLU A 39 -5.751 -7.041 2.534 1.00 0.00 C ATOM 587 CG GLU A 39 -7.210 -6.630 2.435 1.00 0.00 C ATOM 588 CD GLU A 39 -7.466 -5.655 1.303 1.00 0.00 C ATOM 589 OE1 GLU A 39 -6.572 -4.832 1.015 1.00 0.00 O ATOM 590 OE2 GLU A 39 -8.561 -5.715 0.704 1.00 0.00 O ATOM 0 H GLU A 39 -6.429 -9.388 2.867 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.795 -7.934 0.580 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.545 -7.376 3.551 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.123 -6.169 2.352 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.825 -7.518 2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.521 -6.177 3.377 1.00 0.00 H new ATOM 597 N LYS A 40 -3.179 -8.834 2.367 1.00 0.00 N ATOM 598 CA LYS A 40 -1.726 -8.954 2.345 1.00 0.00 C ATOM 599 C LYS A 40 -1.263 -9.726 1.114 1.00 0.00 C ATOM 600 O LYS A 40 -0.217 -9.426 0.537 1.00 0.00 O ATOM 601 CB LYS A 40 -1.232 -9.653 3.614 1.00 0.00 C ATOM 602 CG LYS A 40 -2.012 -9.273 4.861 1.00 0.00 C ATOM 603 CD LYS A 40 -1.135 -9.311 6.101 1.00 0.00 C ATOM 604 CE LYS A 40 -1.943 -9.652 7.344 1.00 0.00 C ATOM 605 NZ LYS A 40 -1.257 -9.209 8.589 1.00 0.00 N ATOM 0 H LYS A 40 -3.626 -9.273 3.172 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.304 -7.950 2.303 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.294 -10.732 3.472 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.180 -9.411 3.766 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.429 -8.273 4.740 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.852 -9.956 4.988 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.344 -10.049 5.966 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.650 -8.344 6.235 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.923 -9.179 7.281 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.110 -10.728 7.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.014 -10.040 9.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.389 -8.692 8.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.889 -8.585 9.130 1.00 0.00 H new ATOM 619 N LYS A 41 -2.048 -10.721 0.715 1.00 0.00 N ATOM 620 CA LYS A 41 -1.721 -11.535 -0.450 1.00 0.00 C ATOM 621 C LYS A 41 -2.032 -10.786 -1.742 1.00 0.00 C ATOM 622 O LYS A 41 -1.173 -10.650 -2.612 1.00 0.00 O ATOM 623 CB LYS A 41 -2.498 -12.853 -0.411 1.00 0.00 C ATOM 624 CG LYS A 41 -1.954 -13.850 0.597 1.00 0.00 C ATOM 625 CD LYS A 41 -2.500 -15.247 0.350 1.00 0.00 C ATOM 626 CE LYS A 41 -2.276 -16.153 1.550 1.00 0.00 C ATOM 627 NZ LYS A 41 -3.286 -17.245 1.617 1.00 0.00 N ATOM 0 H LYS A 41 -2.916 -10.983 1.182 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.653 -11.750 -0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.541 -12.643 -0.175 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.480 -13.305 -1.403 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.866 -13.869 0.541 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.216 -13.529 1.605 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.566 -15.189 0.131 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.017 -15.678 -0.527 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.277 -16.585 1.497 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.319 -15.562 2.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.099 -17.840 2.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.238 -16.833 1.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.228 -17.825 0.756 1.00 0.00 H new ATOM 641 N GLN A 42 -3.265 -10.303 -1.858 1.00 0.00 N ATOM 642 CA GLN A 42 -3.688 -9.567 -3.043 1.00 0.00 C ATOM 643 C GLN A 42 -2.810 -8.340 -3.265 1.00 0.00 C ATOM 644 O GLN A 42 -2.215 -8.174 -4.330 1.00 0.00 O ATOM 645 CB GLN A 42 -5.152 -9.145 -2.912 1.00 0.00 C ATOM 646 CG GLN A 42 -6.104 -10.310 -2.694 1.00 0.00 C ATOM 647 CD GLN A 42 -6.416 -11.056 -3.975 1.00 0.00 C ATOM 648 OE1 GLN A 42 -6.905 -10.473 -4.944 1.00 0.00 O ATOM 649 NE2 GLN A 42 -6.135 -12.354 -3.988 1.00 0.00 N ATOM 0 H GLN A 42 -3.988 -10.408 -1.146 1.00 0.00 H new ATOM 0 HA GLN A 42 -3.583 -10.226 -3.905 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.247 -8.448 -2.079 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.449 -8.608 -3.813 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.667 -11.001 -1.973 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.032 -9.939 -2.259 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.730 -12.797 -3.163 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.324 -12.908 -4.823 1.00 0.00 H new ATOM 658 N ILE A 43 -2.735 -7.482 -2.252 1.00 0.00 N ATOM 659 CA ILE A 43 -1.929 -6.271 -2.337 1.00 0.00 C ATOM 660 C ILE A 43 -0.511 -6.585 -2.801 1.00 0.00 C ATOM 661 O ILE A 43 -0.021 -6.004 -3.770 1.00 0.00 O ATOM 662 CB ILE A 43 -1.864 -5.542 -0.981 1.00 0.00 C ATOM 663 CG1 ILE A 43 -3.262 -5.093 -0.552 1.00 0.00 C ATOM 664 CG2 ILE A 43 -0.921 -4.351 -1.065 1.00 0.00 C ATOM 665 CD1 ILE A 43 -3.353 -4.718 0.911 1.00 0.00 C ATOM 0 H ILE A 43 -3.222 -7.604 -1.364 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.412 -5.622 -3.067 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.479 -6.233 -0.231 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.562 -4.238 -1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.972 -5.894 -0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.886 -3.846 -0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.078 -4.696 -1.331 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.279 -3.656 -1.825 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.372 -4.410 1.145 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.084 -5.578 1.524 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.668 -3.896 1.119 1.00 0.00 H new ATOM 677 N ALA A 44 0.143 -7.509 -2.105 1.00 0.00 N ATOM 678 CA ALA A 44 1.504 -7.903 -2.448 1.00 0.00 C ATOM 679 C ALA A 44 1.704 -7.926 -3.960 1.00 0.00 C ATOM 680 O ALA A 44 2.754 -7.528 -4.462 1.00 0.00 O ATOM 681 CB ALA A 44 1.825 -9.265 -1.850 1.00 0.00 C ATOM 0 H ALA A 44 -0.248 -7.999 -1.300 1.00 0.00 H new ATOM 0 HA ALA A 44 2.187 -7.164 -2.029 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.844 -9.547 -2.114 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.731 -9.217 -0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.130 -10.007 -2.242 1.00 0.00 H new ATOM 687 N ALA A 45 0.690 -8.397 -4.679 1.00 0.00 N ATOM 688 CA ALA A 45 0.755 -8.471 -6.133 1.00 0.00 C ATOM 689 C ALA A 45 0.696 -7.080 -6.757 1.00 0.00 C ATOM 690 O ALA A 45 1.646 -6.641 -7.405 1.00 0.00 O ATOM 691 CB ALA A 45 -0.375 -9.339 -6.668 1.00 0.00 C ATOM 0 H ALA A 45 -0.186 -8.733 -4.278 1.00 0.00 H new ATOM 0 HA ALA A 45 1.708 -8.924 -6.407 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.314 -9.386 -7.755 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.288 -10.344 -6.256 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.333 -8.909 -6.376 1.00 0.00 H new ATOM 697 N GLN A 46 -0.424 -6.393 -6.556 1.00 0.00 N ATOM 698 CA GLN A 46 -0.605 -5.053 -7.101 1.00 0.00 C ATOM 699 C GLN A 46 0.605 -4.175 -6.801 1.00 0.00 C ATOM 700 O GLN A 46 0.989 -3.329 -7.609 1.00 0.00 O ATOM 701 CB GLN A 46 -1.869 -4.413 -6.525 1.00 0.00 C ATOM 702 CG GLN A 46 -3.116 -5.266 -6.697 1.00 0.00 C ATOM 703 CD GLN A 46 -4.381 -4.437 -6.804 1.00 0.00 C ATOM 704 OE1 GLN A 46 -5.042 -4.424 -7.843 1.00 0.00 O ATOM 705 NE2 GLN A 46 -4.724 -3.739 -5.728 1.00 0.00 N ATOM 0 H GLN A 46 -1.219 -6.742 -6.020 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.709 -5.139 -8.183 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.716 -4.218 -5.464 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.030 -3.448 -7.007 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.011 -5.879 -7.592 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.204 -5.948 -5.852 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.146 -3.780 -4.888 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.565 -3.162 -5.741 1.00 0.00 H new ATOM 714 N THR A 47 1.205 -4.381 -5.632 1.00 0.00 N ATOM 715 CA THR A 47 2.371 -3.608 -5.224 1.00 0.00 C ATOM 716 C THR A 47 3.659 -4.384 -5.471 1.00 0.00 C ATOM 717 O THR A 47 4.756 -3.844 -5.333 1.00 0.00 O ATOM 718 CB THR A 47 2.295 -3.221 -3.735 1.00 0.00 C ATOM 719 OG1 THR A 47 2.459 -4.386 -2.917 1.00 0.00 O ATOM 720 CG2 THR A 47 0.966 -2.554 -3.415 1.00 0.00 C ATOM 0 H THR A 47 0.902 -5.077 -4.951 1.00 0.00 H new ATOM 0 HA THR A 47 2.376 -2.701 -5.828 1.00 0.00 H new ATOM 0 HB THR A 47 3.097 -2.514 -3.525 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.713 -5.002 -3.072 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.937 -2.290 -2.358 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.857 -1.652 -4.017 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.150 -3.241 -3.640 1.00 0.00 H new ATOM 728 N ASN A 48 3.519 -5.653 -5.839 1.00 0.00 N ATOM 729 CA ASN A 48 4.673 -6.504 -6.107 1.00 0.00 C ATOM 730 C ASN A 48 5.590 -6.574 -4.890 1.00 0.00 C ATOM 731 O ASN A 48 6.813 -6.630 -5.023 1.00 0.00 O ATOM 732 CB ASN A 48 5.450 -5.979 -7.316 1.00 0.00 C ATOM 733 CG ASN A 48 4.906 -6.511 -8.628 1.00 0.00 C ATOM 734 OD1 ASN A 48 4.035 -7.381 -8.644 1.00 0.00 O ATOM 735 ND2 ASN A 48 5.420 -5.990 -9.736 1.00 0.00 N ATOM 0 H ASN A 48 2.618 -6.115 -5.959 1.00 0.00 H new ATOM 0 HA ASN A 48 4.310 -7.508 -6.325 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.411 -4.890 -7.325 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.499 -6.260 -7.220 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.094 -6.309 -10.648 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.141 -5.271 -9.675 1.00 0.00 H new ATOM 742 N LEU A 49 4.992 -6.571 -3.704 1.00 0.00 N ATOM 743 CA LEU A 49 5.755 -6.635 -2.462 1.00 0.00 C ATOM 744 C LEU A 49 5.534 -7.968 -1.755 1.00 0.00 C ATOM 745 O LEU A 49 4.562 -8.674 -2.027 1.00 0.00 O ATOM 746 CB LEU A 49 5.358 -5.483 -1.537 1.00 0.00 C ATOM 747 CG LEU A 49 5.391 -4.084 -2.154 1.00 0.00 C ATOM 748 CD1 LEU A 49 4.866 -3.052 -1.168 1.00 0.00 C ATOM 749 CD2 LEU A 49 6.803 -3.731 -2.598 1.00 0.00 C ATOM 0 H LEU A 49 3.981 -6.525 -3.576 1.00 0.00 H new ATOM 0 HA LEU A 49 6.813 -6.547 -2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.350 -5.671 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.022 -5.493 -0.672 1.00 0.00 H new ATOM 0 HG LEU A 49 4.744 -4.079 -3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.897 -2.063 -1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.838 -3.295 -0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.486 -3.057 -0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.808 -2.732 -3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.472 -3.754 -1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.142 -4.453 -3.340 1.00 0.00 H new ATOM 761 N THR A 50 6.441 -8.307 -0.844 1.00 0.00 N ATOM 762 CA THR A 50 6.345 -9.555 -0.098 1.00 0.00 C ATOM 763 C THR A 50 5.531 -9.371 1.178 1.00 0.00 C ATOM 764 O THR A 50 5.605 -8.328 1.829 1.00 0.00 O ATOM 765 CB THR A 50 7.739 -10.098 0.270 1.00 0.00 C ATOM 766 OG1 THR A 50 8.519 -9.067 0.886 1.00 0.00 O ATOM 767 CG2 THR A 50 8.460 -10.619 -0.964 1.00 0.00 C ATOM 0 H THR A 50 7.251 -7.734 -0.605 1.00 0.00 H new ATOM 0 HA THR A 50 5.843 -10.273 -0.746 1.00 0.00 H new ATOM 0 HB THR A 50 7.610 -10.923 0.971 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.806 -8.423 0.205 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.442 -10.997 -0.679 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.878 -11.423 -1.413 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.578 -9.810 -1.685 1.00 0.00 H new ATOM 775 N LEU A 51 4.754 -10.390 1.530 1.00 0.00 N ATOM 776 CA LEU A 51 3.926 -10.341 2.730 1.00 0.00 C ATOM 777 C LEU A 51 4.619 -9.555 3.839 1.00 0.00 C ATOM 778 O LEU A 51 3.969 -8.861 4.622 1.00 0.00 O ATOM 779 CB LEU A 51 3.610 -11.757 3.214 1.00 0.00 C ATOM 780 CG LEU A 51 2.340 -12.393 2.647 1.00 0.00 C ATOM 781 CD1 LEU A 51 1.105 -11.674 3.168 1.00 0.00 C ATOM 782 CD2 LEU A 51 2.368 -12.374 1.126 1.00 0.00 C ATOM 0 H LEU A 51 4.680 -11.259 1.002 1.00 0.00 H new ATOM 0 HA LEU A 51 2.995 -9.834 2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.455 -12.400 2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.529 -11.738 4.301 1.00 0.00 H new ATOM 0 HG LEU A 51 2.297 -13.431 2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.211 -12.140 2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.078 -11.739 4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.140 -10.627 2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.457 -12.830 0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.434 -11.344 0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.233 -12.934 0.771 1.00 0.00 H new ATOM 794 N LEU A 52 5.941 -9.668 3.899 1.00 0.00 N ATOM 795 CA LEU A 52 6.723 -8.966 4.910 1.00 0.00 C ATOM 796 C LEU A 52 6.695 -7.460 4.673 1.00 0.00 C ATOM 797 O LEU A 52 6.387 -6.685 5.579 1.00 0.00 O ATOM 798 CB LEU A 52 8.168 -9.468 4.904 1.00 0.00 C ATOM 799 CG LEU A 52 8.945 -9.293 6.210 1.00 0.00 C ATOM 800 CD1 LEU A 52 10.072 -10.310 6.301 1.00 0.00 C ATOM 801 CD2 LEU A 52 9.492 -7.877 6.319 1.00 0.00 C ATOM 0 H LEU A 52 6.494 -10.239 3.260 1.00 0.00 H new ATOM 0 HA LEU A 52 6.278 -9.169 5.884 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.162 -10.527 4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.708 -8.950 4.111 1.00 0.00 H new ATOM 0 HG LEU A 52 8.262 -9.463 7.042 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.614 -10.170 7.237 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.657 -11.317 6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.755 -10.172 5.463 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.042 -7.770 7.254 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.160 -7.679 5.481 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.666 -7.166 6.300 1.00 0.00 H new ATOM 813 N GLN A 53 7.015 -7.053 3.449 1.00 0.00 N ATOM 814 CA GLN A 53 7.024 -5.639 3.092 1.00 0.00 C ATOM 815 C GLN A 53 5.650 -5.014 3.307 1.00 0.00 C ATOM 816 O GLN A 53 5.509 -4.035 4.039 1.00 0.00 O ATOM 817 CB GLN A 53 7.457 -5.461 1.636 1.00 0.00 C ATOM 818 CG GLN A 53 8.925 -5.773 1.395 1.00 0.00 C ATOM 819 CD GLN A 53 9.311 -5.669 -0.068 1.00 0.00 C ATOM 820 OE1 GLN A 53 9.243 -6.649 -0.811 1.00 0.00 O ATOM 821 NE2 GLN A 53 9.719 -4.478 -0.489 1.00 0.00 N ATOM 0 H GLN A 53 7.271 -7.682 2.688 1.00 0.00 H new ATOM 0 HA GLN A 53 7.739 -5.132 3.740 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.848 -6.107 1.003 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.257 -4.434 1.329 1.00 0.00 H new ATOM 0 HG2 GLN A 53 9.539 -5.087 1.979 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.142 -6.779 1.754 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.760 -3.694 0.162 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.992 -4.347 -1.463 1.00 0.00 H new ATOM 830 N VAL A 54 4.638 -5.588 2.664 1.00 0.00 N ATOM 831 CA VAL A 54 3.273 -5.088 2.785 1.00 0.00 C ATOM 832 C VAL A 54 2.877 -4.920 4.247 1.00 0.00 C ATOM 833 O VAL A 54 2.197 -3.962 4.611 1.00 0.00 O ATOM 834 CB VAL A 54 2.267 -6.029 2.096 1.00 0.00 C ATOM 835 CG1 VAL A 54 0.847 -5.517 2.277 1.00 0.00 C ATOM 836 CG2 VAL A 54 2.605 -6.182 0.621 1.00 0.00 C ATOM 0 H VAL A 54 4.737 -6.399 2.054 1.00 0.00 H new ATOM 0 HA VAL A 54 3.247 -4.117 2.291 1.00 0.00 H new ATOM 0 HB VAL A 54 2.335 -7.011 2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.150 -6.195 1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.612 -5.465 3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.760 -4.523 1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.884 -6.850 0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.567 -5.207 0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.607 -6.599 0.519 1.00 0.00 H new ATOM 846 N ASN A 55 3.308 -5.860 5.083 1.00 0.00 N ATOM 847 CA ASN A 55 2.998 -5.817 6.507 1.00 0.00 C ATOM 848 C ASN A 55 3.720 -4.657 7.186 1.00 0.00 C ATOM 849 O ASN A 55 3.089 -3.773 7.765 1.00 0.00 O ATOM 850 CB ASN A 55 3.389 -7.137 7.176 1.00 0.00 C ATOM 851 CG ASN A 55 2.259 -8.147 7.165 1.00 0.00 C ATOM 852 OD1 ASN A 55 1.103 -7.806 7.419 1.00 0.00 O ATOM 853 ND2 ASN A 55 2.587 -9.400 6.870 1.00 0.00 N ATOM 0 H ASN A 55 3.873 -6.660 4.798 1.00 0.00 H new ATOM 0 HA ASN A 55 1.924 -5.667 6.615 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.254 -7.558 6.664 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.690 -6.944 8.206 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.868 -10.124 6.848 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.557 -9.639 6.666 1.00 0.00 H new ATOM 860 N ASN A 56 5.047 -4.667 7.110 1.00 0.00 N ATOM 861 CA ASN A 56 5.855 -3.615 7.717 1.00 0.00 C ATOM 862 C ASN A 56 5.282 -2.237 7.400 1.00 0.00 C ATOM 863 O ASN A 56 4.968 -1.462 8.303 1.00 0.00 O ATOM 864 CB ASN A 56 7.300 -3.705 7.223 1.00 0.00 C ATOM 865 CG ASN A 56 8.155 -4.601 8.097 1.00 0.00 C ATOM 866 OD1 ASN A 56 9.172 -4.169 8.642 1.00 0.00 O ATOM 867 ND2 ASN A 56 7.747 -5.857 8.236 1.00 0.00 N ATOM 0 H ASN A 56 5.585 -5.391 6.635 1.00 0.00 H new ATOM 0 HA ASN A 56 5.838 -3.756 8.798 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.309 -4.084 6.201 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.735 -2.706 7.196 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.282 -6.506 8.812 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.898 -6.172 7.766 1.00 0.00 H new ATOM 874 N TRP A 57 5.148 -1.941 6.112 1.00 0.00 N ATOM 875 CA TRP A 57 4.612 -0.656 5.676 1.00 0.00 C ATOM 876 C TRP A 57 3.352 -0.299 6.456 1.00 0.00 C ATOM 877 O TRP A 57 3.238 0.799 7.001 1.00 0.00 O ATOM 878 CB TRP A 57 4.307 -0.690 4.177 1.00 0.00 C ATOM 879 CG TRP A 57 4.021 0.662 3.598 1.00 0.00 C ATOM 880 CD1 TRP A 57 4.906 1.485 2.962 1.00 0.00 C ATOM 881 CD2 TRP A 57 2.765 1.349 3.605 1.00 0.00 C ATOM 882 NE1 TRP A 57 4.275 2.642 2.572 1.00 0.00 N ATOM 883 CE2 TRP A 57 2.961 2.583 2.954 1.00 0.00 C ATOM 884 CE3 TRP A 57 1.493 1.041 4.095 1.00 0.00 C ATOM 885 CZ2 TRP A 57 1.933 3.506 2.784 1.00 0.00 C ATOM 886 CZ3 TRP A 57 0.473 1.958 3.926 1.00 0.00 C ATOM 887 CH2 TRP A 57 0.698 3.179 3.274 1.00 0.00 C ATOM 0 H TRP A 57 5.403 -2.572 5.352 1.00 0.00 H new ATOM 0 HA TRP A 57 5.365 0.108 5.869 1.00 0.00 H new ATOM 0 HB2 TRP A 57 5.154 -1.131 3.651 1.00 0.00 H new ATOM 0 HB3 TRP A 57 3.450 -1.341 4.003 1.00 0.00 H new ATOM 0 HD1 TRP A 57 5.948 1.260 2.791 1.00 0.00 H new ATOM 0 HE1 TRP A 57 4.714 3.419 2.078 1.00 0.00 H new ATOM 0 HE3 TRP A 57 1.310 0.102 4.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 2.104 4.447 2.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -0.513 1.731 4.302 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -0.120 3.875 3.156 1.00 0.00 H new ATOM 898 N PHE A 58 2.407 -1.232 6.506 1.00 0.00 N ATOM 899 CA PHE A 58 1.154 -1.014 7.219 1.00 0.00 C ATOM 900 C PHE A 58 1.406 -0.807 8.710 1.00 0.00 C ATOM 901 O PHE A 58 1.073 0.239 9.267 1.00 0.00 O ATOM 902 CB PHE A 58 0.211 -2.201 7.010 1.00 0.00 C ATOM 903 CG PHE A 58 -0.562 -2.132 5.724 1.00 0.00 C ATOM 904 CD1 PHE A 58 -1.188 -0.957 5.338 1.00 0.00 C ATOM 905 CD2 PHE A 58 -0.662 -3.241 4.900 1.00 0.00 C ATOM 906 CE1 PHE A 58 -1.901 -0.892 4.156 1.00 0.00 C ATOM 907 CE2 PHE A 58 -1.373 -3.182 3.716 1.00 0.00 C ATOM 908 CZ PHE A 58 -1.992 -2.005 3.343 1.00 0.00 C ATOM 0 H PHE A 58 2.485 -2.147 6.061 1.00 0.00 H new ATOM 0 HA PHE A 58 0.688 -0.114 6.818 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.791 -3.123 7.027 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.489 -2.250 7.844 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.118 -0.083 5.968 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.178 -4.163 5.186 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.387 0.029 3.868 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.444 -4.055 3.084 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.546 -1.955 2.417 1.00 0.00 H new ATOM 918 N ILE A 59 1.996 -1.812 9.349 1.00 0.00 N ATOM 919 CA ILE A 59 2.293 -1.740 10.774 1.00 0.00 C ATOM 920 C ILE A 59 2.801 -0.356 11.161 1.00 0.00 C ATOM 921 O ILE A 59 2.462 0.167 12.222 1.00 0.00 O ATOM 922 CB ILE A 59 3.340 -2.792 11.185 1.00 0.00 C ATOM 923 CG1 ILE A 59 2.794 -4.203 10.956 1.00 0.00 C ATOM 924 CG2 ILE A 59 3.739 -2.603 12.640 1.00 0.00 C ATOM 925 CD1 ILE A 59 3.874 -5.250 10.791 1.00 0.00 C ATOM 0 H ILE A 59 2.277 -2.685 8.903 1.00 0.00 H new ATOM 0 HA ILE A 59 1.360 -1.942 11.301 1.00 0.00 H new ATOM 0 HB ILE A 59 4.227 -2.661 10.566 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.158 -4.478 11.797 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.163 -4.200 10.067 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.479 -3.354 12.915 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.164 -1.608 12.774 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.860 -2.711 13.275 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.414 -6.225 10.632 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.496 -4.998 9.932 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.491 -5.281 11.689 1.00 0.00 H new ATOM 937 N ASN A 60 3.615 0.234 10.292 1.00 0.00 N ATOM 938 CA ASN A 60 4.170 1.559 10.541 1.00 0.00 C ATOM 939 C ASN A 60 3.185 2.648 10.127 1.00 0.00 C ATOM 940 O ASN A 60 3.055 3.670 10.799 1.00 0.00 O ATOM 941 CB ASN A 60 5.489 1.734 9.785 1.00 0.00 C ATOM 942 CG ASN A 60 6.443 2.674 10.497 1.00 0.00 C ATOM 943 OD1 ASN A 60 6.176 3.119 11.613 1.00 0.00 O ATOM 944 ND2 ASN A 60 7.562 2.980 9.852 1.00 0.00 N ATOM 0 H ASN A 60 3.905 -0.185 9.408 1.00 0.00 H new ATOM 0 HA ASN A 60 4.358 1.651 11.611 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.966 0.762 9.662 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.284 2.117 8.786 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.242 3.608 10.280 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.742 2.587 8.928 1.00 0.00 H new ATOM 951 N ALA A 61 2.493 2.420 9.015 1.00 0.00 N ATOM 952 CA ALA A 61 1.518 3.380 8.512 1.00 0.00 C ATOM 953 C ALA A 61 0.665 3.940 9.644 1.00 0.00 C ATOM 954 O ALA A 61 0.643 5.149 9.879 1.00 0.00 O ATOM 955 CB ALA A 61 0.637 2.732 7.455 1.00 0.00 C ATOM 0 H ALA A 61 2.590 1.579 8.446 1.00 0.00 H new ATOM 0 HA ALA A 61 2.061 4.209 8.058 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.086 3.460 7.088 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.256 2.387 6.627 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.109 1.884 7.891 1.00 0.00 H new ATOM 961 N ARG A 62 -0.038 3.055 10.343 1.00 0.00 N ATOM 962 CA ARG A 62 -0.895 3.462 11.450 1.00 0.00 C ATOM 963 C ARG A 62 -0.107 4.267 12.480 1.00 0.00 C ATOM 964 O ARG A 62 -0.631 5.204 13.083 1.00 0.00 O ATOM 965 CB ARG A 62 -1.522 2.236 12.116 1.00 0.00 C ATOM 966 CG ARG A 62 -0.521 1.371 12.864 1.00 0.00 C ATOM 967 CD ARG A 62 -1.218 0.344 13.743 1.00 0.00 C ATOM 968 NE ARG A 62 -1.463 -0.908 13.032 1.00 0.00 N ATOM 969 CZ ARG A 62 -0.565 -1.881 12.926 1.00 0.00 C ATOM 970 NH1 ARG A 62 0.631 -1.747 13.483 1.00 0.00 N ATOM 971 NH2 ARG A 62 -0.862 -2.991 12.263 1.00 0.00 N ATOM 0 H ARG A 62 -0.031 2.051 10.162 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.688 4.094 11.049 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.295 2.566 12.810 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.014 1.631 11.354 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.126 0.861 12.150 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.119 2.003 13.479 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.608 0.147 14.624 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.165 0.752 14.096 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.374 -1.043 12.593 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.863 -0.895 13.994 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.319 -2.496 13.400 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.781 -3.098 11.834 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.171 -3.737 12.182 1.00 0.00 H new ATOM 985 N ARG A 63 1.153 3.893 12.677 1.00 0.00 N ATOM 986 CA ARG A 63 2.012 4.578 13.635 1.00 0.00 C ATOM 987 C ARG A 63 2.217 6.036 13.236 1.00 0.00 C ATOM 988 O ARG A 63 2.255 6.924 14.088 1.00 0.00 O ATOM 989 CB ARG A 63 3.365 3.871 13.737 1.00 0.00 C ATOM 990 CG ARG A 63 3.254 2.381 14.017 1.00 0.00 C ATOM 991 CD ARG A 63 3.228 2.096 15.511 1.00 0.00 C ATOM 992 NE ARG A 63 4.388 2.662 16.196 1.00 0.00 N ATOM 993 CZ ARG A 63 4.443 2.857 17.508 1.00 0.00 C ATOM 994 NH1 ARG A 63 3.410 2.533 18.274 1.00 0.00 N ATOM 995 NH2 ARG A 63 5.533 3.376 18.058 1.00 0.00 N ATOM 0 H ARG A 63 1.601 3.120 12.186 1.00 0.00 H new ATOM 0 HA ARG A 63 1.522 4.551 14.608 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.913 4.017 12.806 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.951 4.338 14.529 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.348 1.989 13.555 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.096 1.860 13.561 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.316 2.507 15.943 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.200 1.019 15.674 1.00 0.00 H new ATOM 0 HE ARG A 63 5.200 2.921 15.636 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.570 2.133 17.855 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.455 2.684 19.282 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.330 3.626 17.473 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.574 3.525 19.066 1.00 0.00 H new ATOM 1009 N ARG A 64 2.350 6.275 11.935 1.00 0.00 N ATOM 1010 CA ARG A 64 2.553 7.625 11.423 1.00 0.00 C ATOM 1011 C ARG A 64 1.324 8.493 11.676 1.00 0.00 C ATOM 1012 O ARG A 64 1.410 9.532 12.333 1.00 0.00 O ATOM 1013 CB ARG A 64 2.862 7.584 9.925 1.00 0.00 C ATOM 1014 CG ARG A 64 3.934 6.574 9.552 1.00 0.00 C ATOM 1015 CD ARG A 64 5.287 6.959 10.129 1.00 0.00 C ATOM 1016 NE ARG A 64 5.740 8.259 9.642 1.00 0.00 N ATOM 1017 CZ ARG A 64 7.017 8.623 9.596 1.00 0.00 C ATOM 1018 NH1 ARG A 64 7.963 7.788 10.006 1.00 0.00 N ATOM 1019 NH2 ARG A 64 7.351 9.823 9.139 1.00 0.00 N ATOM 0 H ARG A 64 2.321 5.551 11.217 1.00 0.00 H new ATOM 0 HA ARG A 64 3.401 8.063 11.950 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.948 7.349 9.380 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.180 8.575 9.601 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.649 5.587 9.917 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.007 6.503 8.467 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.224 6.981 11.217 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.022 6.198 9.868 1.00 0.00 H new ATOM 0 HE ARG A 64 5.037 8.924 9.319 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.711 6.864 10.357 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.943 8.070 9.970 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.627 10.468 8.822 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.332 10.101 9.104 1.00 0.00 H new ATOM 1033 N ILE A 65 0.182 8.061 11.152 1.00 0.00 N ATOM 1034 CA ILE A 65 -1.063 8.799 11.322 1.00 0.00 C ATOM 1035 C ILE A 65 -1.418 8.945 12.797 1.00 0.00 C ATOM 1036 O ILE A 65 -1.959 9.969 13.219 1.00 0.00 O ATOM 1037 CB ILE A 65 -2.230 8.109 10.591 1.00 0.00 C ATOM 1038 CG1 ILE A 65 -2.372 6.660 11.063 1.00 0.00 C ATOM 1039 CG2 ILE A 65 -2.018 8.162 9.085 1.00 0.00 C ATOM 1040 CD1 ILE A 65 -3.680 6.018 10.658 1.00 0.00 C ATOM 0 H ILE A 65 0.093 7.204 10.606 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.906 9.787 10.889 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.152 8.641 10.828 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.548 6.072 10.659 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.283 6.630 12.149 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.851 7.670 8.583 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.962 9.201 8.762 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.089 7.652 8.830 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.711 4.993 11.026 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.510 6.582 11.084 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.763 6.016 9.571 1.00 0.00 H new ATOM 1052 N LEU A 66 -1.110 7.917 13.580 1.00 0.00 N ATOM 1053 CA LEU A 66 -1.394 7.931 15.010 1.00 0.00 C ATOM 1054 C LEU A 66 -0.589 9.018 15.715 1.00 0.00 C ATOM 1055 O LEU A 66 -1.129 9.787 16.510 1.00 0.00 O ATOM 1056 CB LEU A 66 -1.079 6.567 15.627 1.00 0.00 C ATOM 1057 CG LEU A 66 -2.085 5.452 15.338 1.00 0.00 C ATOM 1058 CD1 LEU A 66 -1.402 4.094 15.376 1.00 0.00 C ATOM 1059 CD2 LEU A 66 -3.235 5.500 16.332 1.00 0.00 C ATOM 0 H LEU A 66 -0.663 7.062 13.248 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.454 8.146 15.142 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.100 6.247 15.271 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.002 6.688 16.707 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.490 5.605 14.337 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.133 3.313 15.168 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.613 4.062 14.624 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.969 3.932 16.363 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.941 4.699 16.111 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.848 5.373 17.343 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.742 6.462 16.256 1.00 0.00 H new ATOM 1071 N GLN A 67 0.705 9.077 15.415 1.00 0.00 N ATOM 1072 CA GLN A 67 1.584 10.071 16.019 1.00 0.00 C ATOM 1073 C GLN A 67 1.619 9.917 17.536 1.00 0.00 C ATOM 1074 O GLN A 67 1.598 10.905 18.271 1.00 0.00 O ATOM 1075 CB GLN A 67 1.124 11.482 15.648 1.00 0.00 C ATOM 1076 CG GLN A 67 1.754 12.011 14.370 1.00 0.00 C ATOM 1077 CD GLN A 67 3.054 12.749 14.622 1.00 0.00 C ATOM 1078 OE1 GLN A 67 3.371 13.101 15.759 1.00 0.00 O ATOM 1079 NE2 GLN A 67 3.815 12.987 13.561 1.00 0.00 N ATOM 0 H GLN A 67 1.167 8.449 14.758 1.00 0.00 H new ATOM 0 HA GLN A 67 2.591 9.911 15.633 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.040 11.484 15.537 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.361 12.160 16.468 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.939 11.180 13.689 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.051 12.680 13.873 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.513 12.677 12.637 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.702 13.480 13.669 1.00 0.00 H new ATOM 1088 N SER A 68 1.672 8.672 17.999 1.00 0.00 N ATOM 1089 CA SER A 68 1.705 8.389 19.429 1.00 0.00 C ATOM 1090 C SER A 68 3.068 8.737 20.020 1.00 0.00 C ATOM 1091 O SER A 68 4.070 8.795 19.308 1.00 0.00 O ATOM 1092 CB SER A 68 1.387 6.915 19.685 1.00 0.00 C ATOM 1093 OG SER A 68 1.619 6.571 21.041 1.00 0.00 O ATOM 0 H SER A 68 1.693 7.843 17.405 1.00 0.00 H new ATOM 0 HA SER A 68 0.949 9.006 19.915 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.347 6.714 19.428 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.001 6.289 19.038 1.00 0.00 H new ATOM 0 HG SER A 68 1.407 5.624 21.179 1.00 0.00 H new ATOM 1099 N GLY A 69 3.097 8.968 21.329 1.00 0.00 N ATOM 1100 CA GLY A 69 4.341 9.308 21.995 1.00 0.00 C ATOM 1101 C GLY A 69 4.457 10.792 22.285 1.00 0.00 C ATOM 1102 O GLY A 69 5.070 11.547 21.531 1.00 0.00 O ATOM 0 H GLY A 69 2.281 8.926 21.940 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.413 8.752 22.930 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.180 8.996 21.373 1.00 0.00 H new ATOM 1106 N PRO A 70 3.855 11.229 23.401 1.00 0.00 N ATOM 1107 CA PRO A 70 3.879 12.636 23.813 1.00 0.00 C ATOM 1108 C PRO A 70 5.264 13.084 24.267 1.00 0.00 C ATOM 1109 O PRO A 70 5.679 14.212 24.003 1.00 0.00 O ATOM 1110 CB PRO A 70 2.893 12.679 24.984 1.00 0.00 C ATOM 1111 CG PRO A 70 2.888 11.291 25.526 1.00 0.00 C ATOM 1112 CD PRO A 70 3.106 10.385 24.346 1.00 0.00 C ATOM 0 HA PRO A 70 3.619 13.305 22.993 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.208 13.398 25.740 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.898 12.979 24.653 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.674 11.160 26.269 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.942 11.068 26.020 1.00 0.00 H new ATOM 0 HD2 PRO A 70 3.670 9.494 24.622 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.162 10.046 23.920 1.00 0.00 H new ATOM 1120 N SER A 71 5.975 12.192 24.950 1.00 0.00 N ATOM 1121 CA SER A 71 7.313 12.498 25.443 1.00 0.00 C ATOM 1122 C SER A 71 8.259 12.812 24.288 1.00 0.00 C ATOM 1123 O SER A 71 8.913 13.855 24.273 1.00 0.00 O ATOM 1124 CB SER A 71 7.858 11.325 26.260 1.00 0.00 C ATOM 1125 OG SER A 71 7.056 11.081 27.402 1.00 0.00 O ATOM 0 H SER A 71 5.647 11.253 25.174 1.00 0.00 H new ATOM 0 HA SER A 71 7.246 13.378 26.083 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.893 10.430 25.638 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.881 11.538 26.569 1.00 0.00 H new ATOM 0 HG SER A 71 7.425 10.326 27.906 1.00 0.00 H new ATOM 1131 N SER A 72 8.326 11.901 23.322 1.00 0.00 N ATOM 1132 CA SER A 72 9.194 12.078 22.164 1.00 0.00 C ATOM 1133 C SER A 72 8.468 11.699 20.878 1.00 0.00 C ATOM 1134 O SER A 72 7.897 10.615 20.770 1.00 0.00 O ATOM 1135 CB SER A 72 10.461 11.233 22.316 1.00 0.00 C ATOM 1136 OG SER A 72 10.169 9.851 22.199 1.00 0.00 O ATOM 0 H SER A 72 7.790 11.033 23.319 1.00 0.00 H new ATOM 0 HA SER A 72 9.472 13.130 22.107 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.187 11.520 21.555 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.920 11.430 23.285 1.00 0.00 H new ATOM 0 HG SER A 72 9.284 9.737 21.795 1.00 0.00 H new ATOM 1142 N GLY A 73 8.494 12.603 19.902 1.00 0.00 N ATOM 1143 CA GLY A 73 7.835 12.346 18.635 1.00 0.00 C ATOM 1144 C GLY A 73 8.816 12.028 17.525 1.00 0.00 C ATOM 1145 O GLY A 73 9.898 12.612 17.458 1.00 0.00 O ATOM 0 H GLY A 73 8.960 13.508 19.967 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.141 11.513 18.752 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.243 13.217 18.354 1.00 0.00 H new TER 1149 GLY A 73