USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 346 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0433 K(o=-0.043,f=-1.4!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -108:sc= -1.53! (180deg=-5.8!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -9:sc= 0.974 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 36 SER OG : rot -123:sc= 1.03 USER MOD Single : A 37 THR OG1 : rot -25:sc= 0.894 USER MOD Single : A 38 ASN : amide:sc= -1.77 X(o=-1.8,f=-1.5) USER MOD Single : A 39 LYS NZ :NH3+ -136:sc= -0.162 (180deg=-1.34!) USER MOD Single : A 43 LYS NZ :NH3+ 158:sc= -1.2 (180deg=-1.61) USER MOD Single : A 47 ASN : amide:sc= 1.2 K(o=1.2,f=-0.031) USER MOD Single : A 50 GLN : amide:sc= -0.0631 X(o=-0.063,f=-0.025) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 168:sc= -0.468 (180deg=-0.622) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 14 N LEU A 8 -3.179 8.870 -2.981 1.00 0.00 N ATOM 15 CA LEU A 8 -2.847 8.667 -1.575 1.00 0.00 C ATOM 16 C LEU A 8 -1.964 7.435 -1.401 1.00 0.00 C ATOM 17 O LEU A 8 -2.344 6.472 -0.733 1.00 0.00 O ATOM 18 CB LEU A 8 -4.121 8.518 -0.741 1.00 0.00 C ATOM 19 CG LEU A 8 -5.190 7.610 -1.352 1.00 0.00 C ATOM 20 CD1 LEU A 8 -5.062 6.196 -0.809 1.00 0.00 C ATOM 21 CD2 LEU A 8 -6.582 8.161 -1.081 1.00 0.00 C ATOM 0 HA LEU A 8 -2.297 9.541 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.851 8.128 0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.552 9.507 -0.583 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.038 7.581 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.830 5.564 -1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.077 5.799 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.186 6.209 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.327 7.500 -1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.746 8.223 -0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.672 9.155 -1.520 1.00 0.00 H new ATOM 32 N VAL A 9 -0.782 7.469 -2.010 1.00 0.00 N ATOM 33 CA VAL A 9 0.161 6.356 -1.929 1.00 0.00 C ATOM 34 C VAL A 9 -0.337 5.158 -2.730 1.00 0.00 C ATOM 35 O VAL A 9 -1.524 5.053 -3.038 1.00 0.00 O ATOM 36 CB VAL A 9 0.400 5.916 -0.471 1.00 0.00 C ATOM 37 CG1 VAL A 9 1.588 4.967 -0.384 1.00 0.00 C ATOM 38 CG2 VAL A 9 0.613 7.125 0.427 1.00 0.00 C ATOM 0 H VAL A 9 -0.453 8.258 -2.567 1.00 0.00 H new ATOM 0 HA VAL A 9 1.102 6.712 -2.349 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.487 5.386 -0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.740 4.668 0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.393 4.083 -0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.483 5.469 -0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.780 6.792 1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.481 7.686 0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.269 7.764 0.392 1.00 0.00 H new ATOM 48 N LEU A 10 0.580 4.252 -3.055 1.00 0.00 N ATOM 49 CA LEU A 10 0.239 3.049 -3.810 1.00 0.00 C ATOM 50 C LEU A 10 1.083 1.872 -3.332 1.00 0.00 C ATOM 51 O LEU A 10 1.698 1.930 -2.268 1.00 0.00 O ATOM 52 CB LEU A 10 0.444 3.266 -5.318 1.00 0.00 C ATOM 53 CG LEU A 10 0.874 4.675 -5.734 1.00 0.00 C ATOM 54 CD1 LEU A 10 2.376 4.839 -5.581 1.00 0.00 C ATOM 55 CD2 LEU A 10 0.447 4.959 -7.166 1.00 0.00 C ATOM 0 H LEU A 10 1.567 4.327 -2.807 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.814 2.828 -3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.195 2.558 -5.669 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.487 3.024 -5.831 1.00 0.00 H new ATOM 0 HG LEU A 10 0.382 5.395 -5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.664 5.846 -5.881 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.656 4.676 -4.540 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.888 4.112 -6.212 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.760 5.965 -7.446 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.912 4.235 -7.835 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.637 4.882 -7.244 1.00 0.00 H new ATOM 66 N ALA A 11 1.113 0.807 -4.127 1.00 0.00 N ATOM 67 CA ALA A 11 1.889 -0.380 -3.787 1.00 0.00 C ATOM 68 C ALA A 11 2.627 -0.923 -5.005 1.00 0.00 C ATOM 69 O ALA A 11 3.100 -2.057 -4.995 1.00 0.00 O ATOM 70 CB ALA A 11 0.982 -1.450 -3.196 1.00 0.00 C ATOM 0 H ALA A 11 0.609 0.742 -5.011 1.00 0.00 H new ATOM 0 HA ALA A 11 2.633 -0.096 -3.043 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.573 -2.331 -2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.505 -1.066 -2.294 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.217 -1.721 -3.924 1.00 0.00 H new ATOM 76 N LEU A 12 2.724 -0.106 -6.058 1.00 0.00 N ATOM 77 CA LEU A 12 3.402 -0.510 -7.287 1.00 0.00 C ATOM 78 C LEU A 12 2.647 -1.651 -7.965 1.00 0.00 C ATOM 79 O LEU A 12 2.084 -1.483 -9.047 1.00 0.00 O ATOM 80 CB LEU A 12 4.847 -0.935 -6.994 1.00 0.00 C ATOM 81 CG LEU A 12 5.693 0.085 -6.225 1.00 0.00 C ATOM 82 CD1 LEU A 12 5.382 1.505 -6.679 1.00 0.00 C ATOM 83 CD2 LEU A 12 5.469 -0.060 -4.727 1.00 0.00 C ATOM 0 H LEU A 12 2.340 0.839 -6.081 1.00 0.00 H new ATOM 0 HA LEU A 12 3.421 0.346 -7.961 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.825 -1.865 -6.426 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.342 -1.152 -7.941 1.00 0.00 H new ATOM 0 HG LEU A 12 6.743 -0.114 -6.439 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.996 2.209 -6.117 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.599 1.603 -7.743 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.328 1.721 -6.502 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.077 0.672 -4.196 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.417 0.108 -4.498 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.752 -1.064 -4.412 1.00 0.00 H new ATOM 94 N TYR A 13 2.636 -2.809 -7.314 1.00 0.00 N ATOM 95 CA TYR A 13 1.948 -3.980 -7.838 1.00 0.00 C ATOM 96 C TYR A 13 1.584 -4.934 -6.705 1.00 0.00 C ATOM 97 O TYR A 13 2.030 -4.761 -5.570 1.00 0.00 O ATOM 98 CB TYR A 13 2.824 -4.699 -8.865 1.00 0.00 C ATOM 99 CG TYR A 13 4.143 -5.182 -8.305 1.00 0.00 C ATOM 100 CD1 TYR A 13 5.129 -4.281 -7.922 1.00 0.00 C ATOM 101 CD2 TYR A 13 4.402 -6.538 -8.157 1.00 0.00 C ATOM 102 CE1 TYR A 13 6.335 -4.718 -7.408 1.00 0.00 C ATOM 103 CE2 TYR A 13 5.605 -6.984 -7.644 1.00 0.00 C ATOM 104 CZ TYR A 13 6.568 -6.070 -7.272 1.00 0.00 C ATOM 105 OH TYR A 13 7.768 -6.509 -6.761 1.00 0.00 O ATOM 0 H TYR A 13 3.099 -2.961 -6.418 1.00 0.00 H new ATOM 0 HA TYR A 13 1.032 -3.649 -8.328 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.275 -5.551 -9.265 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.018 -4.025 -9.699 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.950 -3.221 -8.028 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.650 -7.257 -8.448 1.00 0.00 H new ATOM 0 HE1 TYR A 13 7.091 -4.004 -7.114 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.790 -8.042 -7.535 1.00 0.00 H new ATOM 0 HH TYR A 13 7.772 -7.488 -6.730 1.00 0.00 H new ATOM 114 N ASP A 14 0.778 -5.944 -7.019 1.00 0.00 N ATOM 115 CA ASP A 14 0.359 -6.931 -6.026 1.00 0.00 C ATOM 116 C ASP A 14 1.547 -7.419 -5.202 1.00 0.00 C ATOM 117 O ASP A 14 2.698 -7.292 -5.621 1.00 0.00 O ATOM 118 CB ASP A 14 -0.318 -8.118 -6.715 1.00 0.00 C ATOM 119 CG ASP A 14 0.623 -8.862 -7.645 1.00 0.00 C ATOM 120 OD1 ASP A 14 0.708 -8.480 -8.831 1.00 0.00 O ATOM 121 OD2 ASP A 14 1.271 -9.825 -7.188 1.00 0.00 O ATOM 0 H ASP A 14 0.401 -6.101 -7.954 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.352 -6.452 -5.353 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.696 -8.806 -5.959 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.179 -7.763 -7.282 1.00 0.00 H new ATOM 125 N TYR A 15 1.263 -7.976 -4.027 1.00 0.00 N ATOM 126 CA TYR A 15 2.313 -8.481 -3.144 1.00 0.00 C ATOM 127 C TYR A 15 2.209 -9.993 -2.974 1.00 0.00 C ATOM 128 O TYR A 15 3.221 -10.686 -2.874 1.00 0.00 O ATOM 129 CB TYR A 15 2.235 -7.798 -1.779 1.00 0.00 C ATOM 130 CG TYR A 15 3.439 -8.064 -0.903 1.00 0.00 C ATOM 131 CD1 TYR A 15 4.726 -7.986 -1.422 1.00 0.00 C ATOM 132 CD2 TYR A 15 3.288 -8.392 0.437 1.00 0.00 C ATOM 133 CE1 TYR A 15 5.829 -8.229 -0.627 1.00 0.00 C ATOM 134 CE2 TYR A 15 4.388 -8.636 1.239 1.00 0.00 C ATOM 135 CZ TYR A 15 5.656 -8.553 0.701 1.00 0.00 C ATOM 136 OH TYR A 15 6.753 -8.796 1.495 1.00 0.00 O ATOM 0 H TYR A 15 0.316 -8.089 -3.664 1.00 0.00 H new ATOM 0 HA TYR A 15 3.274 -8.252 -3.604 1.00 0.00 H new ATOM 0 HB2 TYR A 15 2.132 -6.723 -1.925 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.337 -8.137 -1.262 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.866 -7.732 -2.462 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.296 -8.458 0.860 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.823 -8.165 -1.045 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.255 -8.890 2.280 1.00 0.00 H new ATOM 0 HH TYR A 15 6.458 -9.010 2.405 1.00 0.00 H new ATOM 145 N GLN A 16 0.980 -10.498 -2.939 1.00 0.00 N ATOM 146 CA GLN A 16 0.743 -11.929 -2.779 1.00 0.00 C ATOM 147 C GLN A 16 1.227 -12.409 -1.411 1.00 0.00 C ATOM 148 O GLN A 16 2.241 -11.938 -0.900 1.00 0.00 O ATOM 149 CB GLN A 16 1.429 -12.713 -3.912 1.00 0.00 C ATOM 150 CG GLN A 16 2.667 -13.493 -3.486 1.00 0.00 C ATOM 151 CD GLN A 16 3.545 -13.876 -4.661 1.00 0.00 C ATOM 152 OE1 GLN A 16 3.616 -13.158 -5.658 1.00 0.00 O ATOM 153 NE2 GLN A 16 4.221 -15.014 -4.549 1.00 0.00 N ATOM 0 H GLN A 16 0.132 -9.937 -3.019 1.00 0.00 H new ATOM 0 HA GLN A 16 -0.330 -12.111 -2.836 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.708 -13.408 -4.343 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.709 -12.015 -4.701 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.246 -12.893 -2.784 1.00 0.00 H new ATOM 0 HG3 GLN A 16 2.360 -14.395 -2.957 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.133 -15.579 -3.704 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.829 -15.323 -5.308 1.00 0.00 H new ATOM 160 N GLU A 17 0.492 -13.350 -0.826 1.00 0.00 N ATOM 161 CA GLU A 17 0.842 -13.895 0.480 1.00 0.00 C ATOM 162 C GLU A 17 2.230 -14.529 0.450 1.00 0.00 C ATOM 163 O GLU A 17 2.440 -15.556 -0.196 1.00 0.00 O ATOM 164 CB GLU A 17 -0.196 -14.930 0.917 1.00 0.00 C ATOM 165 CG GLU A 17 -0.352 -16.085 -0.060 1.00 0.00 C ATOM 166 CD GLU A 17 -1.688 -16.789 0.079 1.00 0.00 C ATOM 167 OE1 GLU A 17 -2.716 -16.188 -0.300 1.00 0.00 O ATOM 168 OE2 GLU A 17 -1.705 -17.939 0.563 1.00 0.00 O ATOM 0 H GLU A 17 -0.351 -13.751 -1.237 1.00 0.00 H new ATOM 0 HA GLU A 17 0.853 -13.076 1.199 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.086 -15.326 1.893 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.160 -14.436 1.040 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.246 -15.711 -1.079 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.452 -16.803 0.101 1.00 0.00 H new ATOM 233 N GLU A 22 -1.337 -12.661 5.451 1.00 0.00 N ATOM 234 CA GLU A 22 -2.145 -12.542 4.242 1.00 0.00 C ATOM 235 C GLU A 22 -2.202 -11.095 3.763 1.00 0.00 C ATOM 236 O GLU A 22 -2.303 -10.168 4.567 1.00 0.00 O ATOM 237 CB GLU A 22 -3.562 -13.062 4.498 1.00 0.00 C ATOM 238 CG GLU A 22 -3.641 -14.573 4.636 1.00 0.00 C ATOM 239 CD GLU A 22 -3.021 -15.299 3.458 1.00 0.00 C ATOM 240 OE1 GLU A 22 -3.181 -14.823 2.315 1.00 0.00 O ATOM 241 OE2 GLU A 22 -2.376 -16.346 3.680 1.00 0.00 O ATOM 0 HA GLU A 22 -1.678 -13.145 3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.950 -12.602 5.407 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.209 -12.746 3.680 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.136 -14.877 5.553 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.685 -14.871 4.733 1.00 0.00 H new ATOM 246 N VAL A 23 -2.138 -10.911 2.448 1.00 0.00 N ATOM 247 CA VAL A 23 -2.184 -9.578 1.858 1.00 0.00 C ATOM 248 C VAL A 23 -2.743 -9.627 0.439 1.00 0.00 C ATOM 249 O VAL A 23 -3.632 -8.855 0.084 1.00 0.00 O ATOM 250 CB VAL A 23 -0.787 -8.928 1.825 1.00 0.00 C ATOM 251 CG1 VAL A 23 -0.878 -7.483 1.356 1.00 0.00 C ATOM 252 CG2 VAL A 23 -0.127 -9.010 3.192 1.00 0.00 C ATOM 0 H VAL A 23 -2.054 -11.669 1.771 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.841 -8.976 2.486 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.170 -9.478 1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.119 -7.042 1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.305 -7.452 0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.513 -6.918 2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.858 -8.546 3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.742 -8.488 3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.023 -10.055 3.484 1.00 0.00 H new ATOM 262 N THR A 24 -2.213 -10.546 -0.366 1.00 0.00 N ATOM 263 CA THR A 24 -2.653 -10.707 -1.749 1.00 0.00 C ATOM 264 C THR A 24 -2.359 -9.451 -2.569 1.00 0.00 C ATOM 265 O THR A 24 -1.375 -9.399 -3.304 1.00 0.00 O ATOM 266 CB THR A 24 -4.150 -11.035 -1.796 1.00 0.00 C ATOM 267 OG1 THR A 24 -4.415 -12.251 -1.121 1.00 0.00 O ATOM 268 CG2 THR A 24 -4.693 -11.166 -3.204 1.00 0.00 C ATOM 0 H THR A 24 -1.476 -11.192 -0.082 1.00 0.00 H new ATOM 0 HA THR A 24 -2.096 -11.535 -2.187 1.00 0.00 H new ATOM 0 HB THR A 24 -4.645 -10.194 -1.311 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.375 -12.444 -1.159 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.757 -11.399 -3.163 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.547 -10.228 -3.739 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.166 -11.966 -3.724 1.00 0.00 H new ATOM 276 N MET A 25 -3.218 -8.444 -2.436 1.00 0.00 N ATOM 277 CA MET A 25 -3.044 -7.193 -3.166 1.00 0.00 C ATOM 278 C MET A 25 -3.113 -7.428 -4.672 1.00 0.00 C ATOM 279 O MET A 25 -2.749 -8.498 -5.161 1.00 0.00 O ATOM 280 CB MET A 25 -1.708 -6.544 -2.799 1.00 0.00 C ATOM 281 CG MET A 25 -1.816 -5.527 -1.674 1.00 0.00 C ATOM 282 SD MET A 25 -0.984 -3.974 -2.058 1.00 0.00 S ATOM 283 CE MET A 25 -1.903 -3.447 -3.501 1.00 0.00 C ATOM 0 H MET A 25 -4.039 -8.470 -1.831 1.00 0.00 H new ATOM 0 HA MET A 25 -3.855 -6.521 -2.884 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.003 -7.323 -2.508 1.00 0.00 H new ATOM 0 HB3 MET A 25 -1.296 -6.055 -3.682 1.00 0.00 H new ATOM 0 HG2 MET A 25 -2.868 -5.330 -1.468 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.387 -5.949 -0.765 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.281 -3.558 -4.389 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.798 -4.060 -3.606 1.00 0.00 H new ATOM 0 HE3 MET A 25 -2.190 -2.402 -3.388 1.00 0.00 H new ATOM 291 N LYS A 26 -3.582 -6.423 -5.403 1.00 0.00 N ATOM 292 CA LYS A 26 -3.699 -6.523 -6.854 1.00 0.00 C ATOM 293 C LYS A 26 -3.299 -5.211 -7.526 1.00 0.00 C ATOM 294 O LYS A 26 -4.056 -4.241 -7.513 1.00 0.00 O ATOM 295 CB LYS A 26 -5.130 -6.896 -7.248 1.00 0.00 C ATOM 296 CG LYS A 26 -5.358 -8.394 -7.360 1.00 0.00 C ATOM 297 CD LYS A 26 -4.413 -9.032 -8.369 1.00 0.00 C ATOM 298 CE LYS A 26 -3.567 -10.124 -7.733 1.00 0.00 C ATOM 299 NZ LYS A 26 -4.118 -11.481 -8.003 1.00 0.00 N ATOM 0 H LYS A 26 -3.887 -5.530 -5.016 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.020 -7.305 -7.194 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.820 -6.486 -6.510 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.369 -6.428 -8.203 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.216 -8.858 -6.384 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.390 -8.584 -7.656 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.990 -9.452 -9.193 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.762 -8.267 -8.792 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.548 -10.063 -8.116 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.514 -9.961 -6.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.513 -12.197 -7.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.081 -11.548 -7.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.145 -11.647 -9.029 1.00 0.00 H new ATOM 309 N LYS A 27 -2.105 -5.191 -8.109 1.00 0.00 N ATOM 310 CA LYS A 27 -1.605 -3.999 -8.784 1.00 0.00 C ATOM 311 C LYS A 27 -1.471 -2.835 -7.805 1.00 0.00 C ATOM 312 O LYS A 27 -2.196 -2.759 -6.814 1.00 0.00 O ATOM 313 CB LYS A 27 -2.535 -3.608 -9.933 1.00 0.00 C ATOM 314 CG LYS A 27 -2.970 -4.785 -10.790 1.00 0.00 C ATOM 315 CD LYS A 27 -3.800 -4.332 -11.980 1.00 0.00 C ATOM 316 CE LYS A 27 -2.965 -4.267 -13.249 1.00 0.00 C ATOM 317 NZ LYS A 27 -3.062 -5.523 -14.043 1.00 0.00 N ATOM 0 H LYS A 27 -1.466 -5.986 -8.128 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.618 -4.228 -9.187 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.420 -3.121 -9.524 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.031 -2.876 -10.564 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.091 -5.324 -11.143 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.550 -5.482 -10.185 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.633 -5.019 -12.126 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.228 -3.351 -11.774 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.296 -3.426 -13.858 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.923 -4.082 -12.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.479 -5.438 -14.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.723 -6.322 -13.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.053 -5.687 -14.314 1.00 0.00 H new ATOM 327 N GLY A 28 -0.539 -1.930 -8.091 1.00 0.00 N ATOM 328 CA GLY A 28 -0.333 -0.783 -7.226 1.00 0.00 C ATOM 329 C GLY A 28 -1.551 0.113 -7.158 1.00 0.00 C ATOM 330 O GLY A 28 -2.358 0.006 -6.235 1.00 0.00 O ATOM 0 H GLY A 28 0.075 -1.971 -8.904 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.082 -1.128 -6.223 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.519 -0.207 -7.587 1.00 0.00 H new ATOM 334 N ASP A 29 -1.685 1.001 -8.140 1.00 0.00 N ATOM 335 CA ASP A 29 -2.813 1.926 -8.195 1.00 0.00 C ATOM 336 C ASP A 29 -2.968 2.685 -6.875 1.00 0.00 C ATOM 337 O ASP A 29 -2.379 3.751 -6.695 1.00 0.00 O ATOM 338 CB ASP A 29 -4.103 1.171 -8.533 1.00 0.00 C ATOM 339 CG ASP A 29 -4.161 0.753 -9.989 1.00 0.00 C ATOM 340 OD1 ASP A 29 -4.184 1.644 -10.863 1.00 0.00 O ATOM 341 OD2 ASP A 29 -4.186 -0.468 -10.255 1.00 0.00 O ATOM 0 H ASP A 29 -1.024 1.099 -8.911 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.616 2.655 -8.981 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.180 0.287 -7.900 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.961 1.803 -8.304 1.00 0.00 H new ATOM 345 N ILE A 30 -3.758 2.134 -5.952 1.00 0.00 N ATOM 346 CA ILE A 30 -3.978 2.767 -4.656 1.00 0.00 C ATOM 347 C ILE A 30 -4.175 1.717 -3.563 1.00 0.00 C ATOM 348 O ILE A 30 -4.019 0.519 -3.803 1.00 0.00 O ATOM 349 CB ILE A 30 -5.205 3.712 -4.665 1.00 0.00 C ATOM 350 CG1 ILE A 30 -5.598 4.109 -6.096 1.00 0.00 C ATOM 351 CG2 ILE A 30 -4.921 4.951 -3.824 1.00 0.00 C ATOM 352 CD1 ILE A 30 -4.680 5.137 -6.722 1.00 0.00 C ATOM 0 H ILE A 30 -4.254 1.252 -6.080 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.086 3.358 -4.449 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.047 3.175 -4.229 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.607 3.216 -6.721 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.615 4.502 -6.087 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.791 5.608 -3.838 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.708 4.653 -2.797 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.061 5.480 -4.234 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.023 5.365 -7.731 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.689 6.047 -6.121 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.666 4.741 -6.765 1.00 0.00 H new ATOM 363 N LEU A 31 -4.526 2.177 -2.367 1.00 0.00 N ATOM 364 CA LEU A 31 -4.753 1.286 -1.233 1.00 0.00 C ATOM 365 C LEU A 31 -5.522 2.019 -0.127 1.00 0.00 C ATOM 366 O LEU A 31 -6.745 2.140 -0.201 1.00 0.00 O ATOM 367 CB LEU A 31 -3.420 0.725 -0.710 1.00 0.00 C ATOM 368 CG LEU A 31 -2.164 1.488 -1.149 1.00 0.00 C ATOM 369 CD1 LEU A 31 -2.259 2.957 -0.761 1.00 0.00 C ATOM 370 CD2 LEU A 31 -0.917 0.858 -0.543 1.00 0.00 C ATOM 0 H LEU A 31 -4.660 3.166 -2.157 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.360 0.443 -1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.454 0.712 0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.328 -0.310 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.092 1.426 -2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.357 3.477 -1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.128 3.405 -1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.360 3.042 0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.036 1.413 -0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.986 0.887 0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.835 -0.177 -0.874 1.00 0.00 H new ATOM 381 N THR A 32 -4.812 2.521 0.886 1.00 0.00 N ATOM 382 CA THR A 32 -5.441 3.252 1.982 1.00 0.00 C ATOM 383 C THR A 32 -4.382 3.948 2.839 1.00 0.00 C ATOM 384 O THR A 32 -3.947 5.049 2.510 1.00 0.00 O ATOM 385 CB THR A 32 -6.303 2.316 2.839 1.00 0.00 C ATOM 386 OG1 THR A 32 -7.453 1.899 2.128 1.00 0.00 O ATOM 387 CG2 THR A 32 -6.770 2.954 4.132 1.00 0.00 C ATOM 0 H THR A 32 -3.799 2.433 0.968 1.00 0.00 H new ATOM 0 HA THR A 32 -6.093 4.014 1.554 1.00 0.00 H new ATOM 0 HB THR A 32 -5.660 1.469 3.078 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.522 2.405 1.292 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.375 2.241 4.692 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.905 3.243 4.728 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.367 3.838 3.907 1.00 0.00 H new ATOM 395 N LEU A 33 -3.974 3.299 3.936 1.00 0.00 N ATOM 396 CA LEU A 33 -2.967 3.849 4.844 1.00 0.00 C ATOM 397 C LEU A 33 -3.045 3.171 6.209 1.00 0.00 C ATOM 398 O LEU A 33 -2.121 2.468 6.619 1.00 0.00 O ATOM 399 CB LEU A 33 -3.150 5.361 5.013 1.00 0.00 C ATOM 400 CG LEU A 33 -2.232 6.219 4.146 1.00 0.00 C ATOM 401 CD1 LEU A 33 -2.956 7.469 3.674 1.00 0.00 C ATOM 402 CD2 LEU A 33 -0.971 6.589 4.911 1.00 0.00 C ATOM 0 H LEU A 33 -4.331 2.385 4.216 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.987 3.659 4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.185 5.615 4.784 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.983 5.618 6.059 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.946 5.638 3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.285 8.067 3.058 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.830 7.184 3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.273 8.054 4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.328 7.201 4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.240 7.151 5.806 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.440 5.681 5.198 1.00 0.00 H new ATOM 413 N LEU A 34 -4.154 3.391 6.909 1.00 0.00 N ATOM 414 CA LEU A 34 -4.358 2.807 8.231 1.00 0.00 C ATOM 415 C LEU A 34 -3.329 3.340 9.224 1.00 0.00 C ATOM 416 O LEU A 34 -2.600 4.288 8.931 1.00 0.00 O ATOM 417 CB LEU A 34 -4.280 1.279 8.156 1.00 0.00 C ATOM 418 CG LEU A 34 -5.607 0.552 8.377 1.00 0.00 C ATOM 419 CD1 LEU A 34 -6.668 1.077 7.423 1.00 0.00 C ATOM 420 CD2 LEU A 34 -5.426 -0.948 8.202 1.00 0.00 C ATOM 0 H LEU A 34 -4.927 3.971 6.582 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.351 3.092 8.580 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.887 0.998 7.179 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.564 0.930 8.900 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.939 0.742 9.397 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.605 0.548 7.595 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.816 2.143 7.595 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.344 0.917 6.395 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.380 -1.451 8.363 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.071 -1.156 7.193 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.697 -1.313 8.925 1.00 0.00 H new ATOM 431 N ASN A 35 -3.275 2.724 10.401 1.00 0.00 N ATOM 432 CA ASN A 35 -2.337 3.136 11.439 1.00 0.00 C ATOM 433 C ASN A 35 -0.900 3.088 10.928 1.00 0.00 C ATOM 434 O ASN A 35 -0.443 2.062 10.424 1.00 0.00 O ATOM 435 CB ASN A 35 -2.482 2.241 12.671 1.00 0.00 C ATOM 436 CG ASN A 35 -3.659 2.641 13.539 1.00 0.00 C ATOM 437 OD1 ASN A 35 -4.797 2.697 13.073 1.00 0.00 O ATOM 438 ND2 ASN A 35 -3.391 2.919 14.809 1.00 0.00 N ATOM 0 H ASN A 35 -3.870 1.937 10.660 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.570 4.164 11.715 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.604 1.206 12.353 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.566 2.288 13.261 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.144 3.192 15.441 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.433 2.860 15.153 1.00 0.00 H new ATOM 444 N SER A 36 -0.192 4.208 11.060 1.00 0.00 N ATOM 445 CA SER A 36 1.196 4.298 10.610 1.00 0.00 C ATOM 446 C SER A 36 1.902 5.483 11.260 1.00 0.00 C ATOM 447 O SER A 36 3.037 5.367 11.721 1.00 0.00 O ATOM 448 CB SER A 36 1.254 4.426 9.087 1.00 0.00 C ATOM 449 OG SER A 36 1.136 3.160 8.464 1.00 0.00 O ATOM 0 H SER A 36 -0.556 5.066 11.475 1.00 0.00 H new ATOM 0 HA SER A 36 1.709 3.384 10.909 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.453 5.080 8.743 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.194 4.893 8.794 1.00 0.00 H new ATOM 0 HG SER A 36 1.918 3.001 7.896 1.00 0.00 H new ATOM 454 N THR A 37 1.220 6.628 11.293 1.00 0.00 N ATOM 455 CA THR A 37 1.779 7.843 11.886 1.00 0.00 C ATOM 456 C THR A 37 3.112 8.203 11.238 1.00 0.00 C ATOM 457 O THR A 37 3.995 8.769 11.883 1.00 0.00 O ATOM 458 CB THR A 37 1.964 7.664 13.394 1.00 0.00 C ATOM 459 OG1 THR A 37 3.116 6.888 13.671 1.00 0.00 O ATOM 460 CG2 THR A 37 0.786 6.993 14.068 1.00 0.00 C ATOM 0 H THR A 37 0.279 6.740 10.916 1.00 0.00 H new ATOM 0 HA THR A 37 1.077 8.658 11.708 1.00 0.00 H new ATOM 0 HB THR A 37 2.063 8.674 13.793 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.315 6.312 12.903 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.984 6.897 15.136 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.110 7.594 13.917 1.00 0.00 H new ATOM 0 HG23 THR A 37 0.636 6.003 13.637 1.00 0.00 H new ATOM 468 N ASN A 38 3.251 7.872 9.958 1.00 0.00 N ATOM 469 CA ASN A 38 4.476 8.159 9.222 1.00 0.00 C ATOM 470 C ASN A 38 4.347 7.728 7.764 1.00 0.00 C ATOM 471 O ASN A 38 3.276 7.311 7.322 1.00 0.00 O ATOM 472 CB ASN A 38 5.666 7.450 9.872 1.00 0.00 C ATOM 473 CG ASN A 38 6.471 8.373 10.765 1.00 0.00 C ATOM 474 OD1 ASN A 38 7.016 9.378 10.309 1.00 0.00 O ATOM 475 ND2 ASN A 38 6.549 8.037 12.048 1.00 0.00 N ATOM 0 H ASN A 38 2.529 7.404 9.409 1.00 0.00 H new ATOM 0 HA ASN A 38 4.644 9.236 9.251 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.306 6.605 10.458 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.314 7.046 9.094 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.076 8.621 12.697 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.082 7.195 12.384 1.00 0.00 H new ATOM 481 N LYS A 39 5.445 7.832 7.023 1.00 0.00 N ATOM 482 CA LYS A 39 5.456 7.452 5.614 1.00 0.00 C ATOM 483 C LYS A 39 6.361 6.248 5.384 1.00 0.00 C ATOM 484 O LYS A 39 7.536 6.397 5.049 1.00 0.00 O ATOM 485 CB LYS A 39 5.919 8.627 4.750 1.00 0.00 C ATOM 486 CG LYS A 39 5.645 8.438 3.267 1.00 0.00 C ATOM 487 CD LYS A 39 6.901 8.017 2.517 1.00 0.00 C ATOM 488 CE LYS A 39 7.988 9.076 2.609 1.00 0.00 C ATOM 489 NZ LYS A 39 9.064 8.686 3.560 1.00 0.00 N ATOM 0 H LYS A 39 6.339 8.176 7.374 1.00 0.00 H new ATOM 0 HA LYS A 39 4.440 7.180 5.328 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.421 9.535 5.090 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.989 8.776 4.897 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.870 7.684 3.132 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.262 9.367 2.845 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.272 7.077 2.926 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.657 7.835 1.470 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.419 9.241 1.621 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.548 10.021 2.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.315 9.502 4.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.729 7.908 4.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.902 8.375 3.028 1.00 0.00 H new ATOM 499 N ASP A 40 5.807 5.052 5.565 1.00 0.00 N ATOM 500 CA ASP A 40 6.565 3.820 5.375 1.00 0.00 C ATOM 501 C ASP A 40 5.676 2.597 5.584 1.00 0.00 C ATOM 502 O ASP A 40 5.953 1.757 6.438 1.00 0.00 O ATOM 503 CB ASP A 40 7.753 3.775 6.339 1.00 0.00 C ATOM 504 CG ASP A 40 8.645 2.573 6.100 1.00 0.00 C ATOM 505 OD1 ASP A 40 9.299 2.519 5.037 1.00 0.00 O ATOM 506 OD2 ASP A 40 8.690 1.685 6.976 1.00 0.00 O ATOM 0 H ASP A 40 4.836 4.911 5.843 1.00 0.00 H new ATOM 0 HA ASP A 40 6.937 3.804 4.351 1.00 0.00 H new ATOM 0 HB2 ASP A 40 8.340 4.687 6.231 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.385 3.753 7.365 1.00 0.00 H new ATOM 510 N TRP A 41 4.608 2.507 4.790 1.00 0.00 N ATOM 511 CA TRP A 41 3.662 1.389 4.870 1.00 0.00 C ATOM 512 C TRP A 41 3.319 1.046 6.323 1.00 0.00 C ATOM 513 O TRP A 41 2.357 1.574 6.880 1.00 0.00 O ATOM 514 CB TRP A 41 4.206 0.148 4.144 1.00 0.00 C ATOM 515 CG TRP A 41 5.699 0.135 3.979 1.00 0.00 C ATOM 516 CD1 TRP A 41 6.445 0.979 3.207 1.00 0.00 C ATOM 517 CD2 TRP A 41 6.623 -0.769 4.597 1.00 0.00 C ATOM 518 NE1 TRP A 41 7.777 0.657 3.310 1.00 0.00 N ATOM 519 CE2 TRP A 41 7.912 -0.411 4.157 1.00 0.00 C ATOM 520 CE3 TRP A 41 6.487 -1.842 5.481 1.00 0.00 C ATOM 521 CZ2 TRP A 41 9.055 -1.091 4.571 1.00 0.00 C ATOM 522 CZ3 TRP A 41 7.623 -2.516 5.892 1.00 0.00 C ATOM 523 CH2 TRP A 41 8.892 -2.137 5.437 1.00 0.00 C ATOM 0 H TRP A 41 4.374 3.200 4.079 1.00 0.00 H new ATOM 0 HA TRP A 41 2.746 1.707 4.372 1.00 0.00 H new ATOM 0 HB2 TRP A 41 3.905 -0.743 4.696 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.743 0.085 3.159 1.00 0.00 H new ATOM 0 HD1 TRP A 41 6.047 1.782 2.604 1.00 0.00 H new ATOM 0 HE1 TRP A 41 8.541 1.136 2.833 1.00 0.00 H new ATOM 0 HE3 TRP A 41 5.512 -2.140 5.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 10.035 -0.803 4.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 7.530 -3.348 6.575 1.00 0.00 H new ATOM 0 HH2 TRP A 41 9.760 -2.682 5.777 1.00 0.00 H new ATOM 533 N TRP A 42 4.107 0.160 6.931 1.00 0.00 N ATOM 534 CA TRP A 42 3.881 -0.246 8.316 1.00 0.00 C ATOM 535 C TRP A 42 2.588 -1.048 8.445 1.00 0.00 C ATOM 536 O TRP A 42 2.619 -2.264 8.634 1.00 0.00 O ATOM 537 CB TRP A 42 3.834 0.978 9.233 1.00 0.00 C ATOM 538 CG TRP A 42 5.044 1.111 10.105 1.00 0.00 C ATOM 539 CD1 TRP A 42 5.502 0.200 11.014 1.00 0.00 C ATOM 540 CD2 TRP A 42 5.950 2.219 10.155 1.00 0.00 C ATOM 541 NE1 TRP A 42 6.638 0.674 11.624 1.00 0.00 N ATOM 542 CE2 TRP A 42 6.935 1.910 11.113 1.00 0.00 C ATOM 543 CE3 TRP A 42 6.027 3.440 9.479 1.00 0.00 C ATOM 544 CZ2 TRP A 42 7.981 2.780 11.412 1.00 0.00 C ATOM 545 CZ3 TRP A 42 7.065 4.302 9.777 1.00 0.00 C ATOM 546 CH2 TRP A 42 8.031 3.970 10.736 1.00 0.00 C ATOM 0 H TRP A 42 4.907 -0.290 6.486 1.00 0.00 H new ATOM 0 HA TRP A 42 4.713 -0.882 8.620 1.00 0.00 H new ATOM 0 HB2 TRP A 42 3.733 1.876 8.624 1.00 0.00 H new ATOM 0 HB3 TRP A 42 2.946 0.918 9.862 1.00 0.00 H new ATOM 0 HD1 TRP A 42 5.039 -0.753 11.223 1.00 0.00 H new ATOM 0 HE1 TRP A 42 7.174 0.185 12.341 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.288 3.705 8.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.726 2.525 12.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 7.133 5.249 9.261 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.830 4.666 10.946 1.00 0.00 H new ATOM 556 N LYS A 43 1.455 -0.363 8.341 1.00 0.00 N ATOM 557 CA LYS A 43 0.156 -1.017 8.449 1.00 0.00 C ATOM 558 C LYS A 43 -0.820 -0.471 7.410 1.00 0.00 C ATOM 559 O LYS A 43 -1.856 0.098 7.754 1.00 0.00 O ATOM 560 CB LYS A 43 -0.416 -0.832 9.856 1.00 0.00 C ATOM 561 CG LYS A 43 -1.163 -2.050 10.373 1.00 0.00 C ATOM 562 CD LYS A 43 -1.438 -1.944 11.864 1.00 0.00 C ATOM 563 CE LYS A 43 -2.803 -1.333 12.136 1.00 0.00 C ATOM 564 NZ LYS A 43 -2.904 -0.794 13.520 1.00 0.00 N ATOM 0 H LYS A 43 1.409 0.644 8.182 1.00 0.00 H new ATOM 0 HA LYS A 43 0.297 -2.081 8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.398 -0.597 10.542 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.090 0.024 9.856 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.105 -2.156 9.835 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.579 -2.948 10.173 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.385 -2.934 12.316 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.666 -1.336 12.335 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.992 -0.533 11.420 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.575 -2.087 11.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.660 -0.081 13.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.122 -1.568 14.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.000 -0.355 13.789 1.00 0.00 H new ATOM 574 N VAL A 44 -0.484 -0.652 6.137 1.00 0.00 N ATOM 575 CA VAL A 44 -1.333 -0.182 5.049 1.00 0.00 C ATOM 576 C VAL A 44 -2.155 -1.331 4.471 1.00 0.00 C ATOM 577 O VAL A 44 -1.655 -2.443 4.304 1.00 0.00 O ATOM 578 CB VAL A 44 -0.498 0.478 3.926 1.00 0.00 C ATOM 579 CG1 VAL A 44 0.744 -0.345 3.625 1.00 0.00 C ATOM 580 CG2 VAL A 44 -1.332 0.673 2.665 1.00 0.00 C ATOM 0 H VAL A 44 0.370 -1.121 5.834 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.007 0.568 5.463 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.182 1.461 4.276 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.317 0.137 2.833 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.358 -0.419 4.523 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.449 -1.344 3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.720 1.139 1.892 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.689 -0.294 2.311 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.185 1.314 2.888 1.00 0.00 H new ATOM 590 N GLU A 45 -3.419 -1.054 4.167 1.00 0.00 N ATOM 591 CA GLU A 45 -4.312 -2.061 3.607 1.00 0.00 C ATOM 592 C GLU A 45 -4.808 -1.642 2.228 1.00 0.00 C ATOM 593 O GLU A 45 -4.657 -0.488 1.828 1.00 0.00 O ATOM 594 CB GLU A 45 -5.502 -2.292 4.541 1.00 0.00 C ATOM 595 CG GLU A 45 -6.355 -1.052 4.758 1.00 0.00 C ATOM 596 CD GLU A 45 -7.780 -1.387 5.151 1.00 0.00 C ATOM 597 OE1 GLU A 45 -8.000 -2.480 5.712 1.00 0.00 O ATOM 598 OE2 GLU A 45 -8.676 -0.556 4.896 1.00 0.00 O ATOM 0 H GLU A 45 -3.848 -0.138 4.300 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.752 -2.991 3.505 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.127 -3.085 4.131 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.134 -2.643 5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.903 -0.436 5.535 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.364 -0.457 3.845 1.00 0.00 H new ATOM 603 N VAL A 46 -5.396 -2.587 1.501 1.00 0.00 N ATOM 604 CA VAL A 46 -5.911 -2.315 0.165 1.00 0.00 C ATOM 605 C VAL A 46 -7.353 -2.790 0.020 1.00 0.00 C ATOM 606 O VAL A 46 -7.606 -3.896 -0.456 1.00 0.00 O ATOM 607 CB VAL A 46 -5.050 -2.990 -0.919 1.00 0.00 C ATOM 608 CG1 VAL A 46 -5.448 -2.497 -2.302 1.00 0.00 C ATOM 609 CG2 VAL A 46 -3.569 -2.742 -0.661 1.00 0.00 C ATOM 0 H VAL A 46 -5.527 -3.548 1.816 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.873 -1.234 0.029 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.226 -4.065 -0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.829 -2.985 -3.054 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.496 -2.734 -2.485 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.305 -1.418 -2.359 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.978 -3.227 -1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.372 -1.670 -0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.296 -3.151 0.312 1.00 0.00 H new ATOM 619 N ASN A 47 -8.292 -1.946 0.432 1.00 0.00 N ATOM 620 CA ASN A 47 -9.710 -2.278 0.346 1.00 0.00 C ATOM 621 C ASN A 47 -10.023 -3.547 1.135 1.00 0.00 C ATOM 622 O ASN A 47 -9.665 -4.649 0.720 1.00 0.00 O ATOM 623 CB ASN A 47 -10.125 -2.456 -1.115 1.00 0.00 C ATOM 624 CG ASN A 47 -11.493 -1.869 -1.403 1.00 0.00 C ATOM 625 OD1 ASN A 47 -11.608 -0.785 -1.974 1.00 0.00 O ATOM 626 ND2 ASN A 47 -12.540 -2.584 -1.007 1.00 0.00 N ATOM 0 H ASN A 47 -8.097 -1.027 0.829 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.277 -1.454 0.780 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -9.386 -1.981 -1.760 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.129 -3.518 -1.362 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -13.485 -2.239 -1.173 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -12.399 -3.478 -0.537 1.00 0.00 H new ATOM 632 N ASP A 48 -10.694 -3.378 2.273 1.00 0.00 N ATOM 633 CA ASP A 48 -11.065 -4.504 3.131 1.00 0.00 C ATOM 634 C ASP A 48 -9.914 -5.497 3.281 1.00 0.00 C ATOM 635 O ASP A 48 -9.941 -6.587 2.709 1.00 0.00 O ATOM 636 CB ASP A 48 -12.302 -5.213 2.574 1.00 0.00 C ATOM 637 CG ASP A 48 -12.073 -5.783 1.189 1.00 0.00 C ATOM 638 OD1 ASP A 48 -12.180 -5.018 0.207 1.00 0.00 O ATOM 639 OD2 ASP A 48 -11.785 -6.994 1.084 1.00 0.00 O ATOM 0 H ASP A 48 -10.993 -2.468 2.624 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.296 -4.105 4.119 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -12.591 -6.017 3.251 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.135 -4.510 2.541 1.00 0.00 H new ATOM 643 N ARG A 49 -8.903 -5.111 4.053 1.00 0.00 N ATOM 644 CA ARG A 49 -7.744 -5.967 4.278 1.00 0.00 C ATOM 645 C ARG A 49 -7.189 -5.771 5.686 1.00 0.00 C ATOM 646 O ARG A 49 -7.740 -5.007 6.479 1.00 0.00 O ATOM 647 CB ARG A 49 -6.656 -5.671 3.243 1.00 0.00 C ATOM 648 CG ARG A 49 -6.826 -6.442 1.944 1.00 0.00 C ATOM 649 CD ARG A 49 -6.879 -7.943 2.187 1.00 0.00 C ATOM 650 NE ARG A 49 -5.838 -8.386 3.111 1.00 0.00 N ATOM 651 CZ ARG A 49 -5.869 -9.548 3.760 1.00 0.00 C ATOM 652 NH1 ARG A 49 -6.882 -10.386 3.586 1.00 0.00 N ATOM 653 NH2 ARG A 49 -4.881 -9.873 4.584 1.00 0.00 N ATOM 0 H ARG A 49 -8.863 -4.212 4.533 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.063 -7.004 4.173 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.655 -4.603 3.024 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.683 -5.909 3.673 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.741 -6.121 1.447 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.000 -6.210 1.272 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.857 -8.211 2.587 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.768 -8.468 1.238 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.041 -7.769 3.268 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.643 -10.142 2.952 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.900 -11.275 4.086 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.099 -9.233 4.720 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.904 -10.763 5.082 1.00 0.00 H new ATOM 664 N GLN A 50 -6.099 -6.465 5.990 1.00 0.00 N ATOM 665 CA GLN A 50 -5.471 -6.366 7.302 1.00 0.00 C ATOM 666 C GLN A 50 -4.502 -5.189 7.359 1.00 0.00 C ATOM 667 O GLN A 50 -4.753 -4.198 8.044 1.00 0.00 O ATOM 668 CB GLN A 50 -4.738 -7.666 7.639 1.00 0.00 C ATOM 669 CG GLN A 50 -4.885 -8.089 9.091 1.00 0.00 C ATOM 670 CD GLN A 50 -6.259 -8.650 9.397 1.00 0.00 C ATOM 671 OE1 GLN A 50 -6.992 -8.111 10.227 1.00 0.00 O ATOM 672 NE2 GLN A 50 -6.616 -9.742 8.728 1.00 0.00 N ATOM 0 H GLN A 50 -5.631 -7.103 5.346 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.256 -6.198 8.040 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.115 -8.463 6.997 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.679 -7.546 7.410 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.130 -8.839 9.326 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.694 -7.232 9.737 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.977 -10.156 8.049 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.529 -10.166 8.894 1.00 0.00 H new ATOM 679 N GLY A 51 -3.391 -5.306 6.631 1.00 0.00 N ATOM 680 CA GLY A 51 -2.397 -4.245 6.611 1.00 0.00 C ATOM 681 C GLY A 51 -1.054 -4.717 6.088 1.00 0.00 C ATOM 682 O GLY A 51 -0.915 -5.864 5.663 1.00 0.00 O ATOM 0 H GLY A 51 -3.163 -6.117 6.055 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.758 -3.425 5.989 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.272 -3.850 7.619 1.00 0.00 H new ATOM 686 N PHE A 52 -0.065 -3.831 6.118 1.00 0.00 N ATOM 687 CA PHE A 52 1.275 -4.160 5.644 1.00 0.00 C ATOM 688 C PHE A 52 1.243 -4.608 4.185 1.00 0.00 C ATOM 689 O PHE A 52 0.818 -5.721 3.877 1.00 0.00 O ATOM 690 CB PHE A 52 1.887 -5.260 6.515 1.00 0.00 C ATOM 691 CG PHE A 52 2.903 -4.753 7.498 1.00 0.00 C ATOM 692 CD1 PHE A 52 4.008 -4.037 7.066 1.00 0.00 C ATOM 693 CD2 PHE A 52 2.752 -4.993 8.855 1.00 0.00 C ATOM 694 CE1 PHE A 52 4.945 -3.570 7.969 1.00 0.00 C ATOM 695 CE2 PHE A 52 3.686 -4.529 9.763 1.00 0.00 C ATOM 696 CZ PHE A 52 4.783 -3.817 9.319 1.00 0.00 C ATOM 0 H PHE A 52 -0.166 -2.878 6.466 1.00 0.00 H new ATOM 0 HA PHE A 52 1.890 -3.263 5.715 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.090 -5.767 7.058 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.357 -6.003 5.871 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.139 -3.842 6.012 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.895 -5.549 9.207 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.802 -3.013 7.620 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.558 -4.723 10.818 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.514 -3.454 10.026 1.00 0.00 H new ATOM 705 N VAL A 53 1.697 -3.735 3.290 1.00 0.00 N ATOM 706 CA VAL A 53 1.720 -4.050 1.866 1.00 0.00 C ATOM 707 C VAL A 53 3.048 -3.634 1.225 1.00 0.00 C ATOM 708 O VAL A 53 3.088 -2.742 0.377 1.00 0.00 O ATOM 709 CB VAL A 53 0.549 -3.374 1.116 1.00 0.00 C ATOM 710 CG1 VAL A 53 -0.780 -3.745 1.756 1.00 0.00 C ATOM 711 CG2 VAL A 53 0.720 -1.860 1.079 1.00 0.00 C ATOM 0 H VAL A 53 2.052 -2.808 3.525 1.00 0.00 H new ATOM 0 HA VAL A 53 1.611 -5.131 1.781 1.00 0.00 H new ATOM 0 HB VAL A 53 0.554 -3.738 0.089 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.592 -3.260 1.215 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.913 -4.826 1.718 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.788 -3.415 2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.118 -1.412 0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.751 -1.472 2.097 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.650 -1.611 0.568 1.00 0.00 H new ATOM 721 N PRO A 54 4.162 -4.279 1.619 1.00 0.00 N ATOM 722 CA PRO A 54 5.490 -3.975 1.080 1.00 0.00 C ATOM 723 C PRO A 54 5.673 -4.520 -0.334 1.00 0.00 C ATOM 724 O PRO A 54 6.636 -5.233 -0.615 1.00 0.00 O ATOM 725 CB PRO A 54 6.456 -4.674 2.056 1.00 0.00 C ATOM 726 CG PRO A 54 5.608 -5.190 3.173 1.00 0.00 C ATOM 727 CD PRO A 54 4.226 -5.352 2.611 1.00 0.00 C ATOM 0 HA PRO A 54 5.658 -2.901 1.001 1.00 0.00 H new ATOM 0 HB2 PRO A 54 6.989 -5.487 1.563 1.00 0.00 H new ATOM 0 HB3 PRO A 54 7.208 -3.978 2.426 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.991 -6.141 3.545 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.607 -4.496 4.013 1.00 0.00 H new ATOM 0 HD2 PRO A 54 4.084 -6.333 2.158 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.460 -5.242 3.379 1.00 0.00 H new ATOM 732 N ALA A 55 4.746 -4.178 -1.220 1.00 0.00 N ATOM 733 CA ALA A 55 4.809 -4.629 -2.601 1.00 0.00 C ATOM 734 C ALA A 55 6.089 -4.147 -3.270 1.00 0.00 C ATOM 735 O ALA A 55 6.621 -4.801 -4.167 1.00 0.00 O ATOM 736 CB ALA A 55 3.592 -4.141 -3.370 1.00 0.00 C ATOM 0 H ALA A 55 3.941 -3.589 -1.005 1.00 0.00 H new ATOM 0 HA ALA A 55 4.813 -5.719 -2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.652 -4.486 -4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.687 -4.535 -2.908 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.563 -3.052 -3.352 1.00 0.00 H new ATOM 742 N ALA A 56 6.578 -2.994 -2.825 1.00 0.00 N ATOM 743 CA ALA A 56 7.796 -2.417 -3.376 1.00 0.00 C ATOM 744 C ALA A 56 8.147 -1.106 -2.675 1.00 0.00 C ATOM 745 O ALA A 56 7.645 -0.820 -1.589 1.00 0.00 O ATOM 746 CB ALA A 56 7.643 -2.200 -4.876 1.00 0.00 C ATOM 0 H ALA A 56 6.148 -2.441 -2.083 1.00 0.00 H new ATOM 0 HA ALA A 56 8.614 -3.116 -3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.560 -1.768 -5.277 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.448 -3.155 -5.364 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.811 -1.521 -5.062 1.00 0.00 H new ATOM 752 N TYR A 57 9.015 -0.317 -3.302 1.00 0.00 N ATOM 753 CA TYR A 57 9.437 0.959 -2.736 1.00 0.00 C ATOM 754 C TYR A 57 8.248 1.889 -2.514 1.00 0.00 C ATOM 755 O TYR A 57 8.089 2.460 -1.435 1.00 0.00 O ATOM 756 CB TYR A 57 10.460 1.633 -3.653 1.00 0.00 C ATOM 757 CG TYR A 57 9.961 1.852 -5.064 1.00 0.00 C ATOM 758 CD1 TYR A 57 10.131 0.879 -6.041 1.00 0.00 C ATOM 759 CD2 TYR A 57 9.318 3.031 -5.417 1.00 0.00 C ATOM 760 CE1 TYR A 57 9.676 1.076 -7.331 1.00 0.00 C ATOM 761 CE2 TYR A 57 8.861 3.235 -6.705 1.00 0.00 C ATOM 762 CZ TYR A 57 9.041 2.254 -7.657 1.00 0.00 C ATOM 763 OH TYR A 57 8.586 2.456 -8.940 1.00 0.00 O ATOM 0 H TYR A 57 9.440 -0.540 -4.202 1.00 0.00 H new ATOM 0 HA TYR A 57 9.897 0.758 -1.768 1.00 0.00 H new ATOM 0 HB2 TYR A 57 10.742 2.594 -3.223 1.00 0.00 H new ATOM 0 HB3 TYR A 57 11.362 1.022 -3.687 1.00 0.00 H new ATOM 0 HD1 TYR A 57 10.627 -0.047 -5.788 1.00 0.00 H new ATOM 0 HD2 TYR A 57 9.173 3.801 -4.673 1.00 0.00 H new ATOM 0 HE1 TYR A 57 9.818 0.310 -8.079 1.00 0.00 H new ATOM 0 HE2 TYR A 57 8.365 4.159 -6.965 1.00 0.00 H new ATOM 0 HH TYR A 57 8.161 3.337 -9.002 1.00 0.00 H new ATOM 772 N VAL A 58 7.416 2.040 -3.540 1.00 0.00 N ATOM 773 CA VAL A 58 6.244 2.908 -3.458 1.00 0.00 C ATOM 774 C VAL A 58 6.656 4.374 -3.466 1.00 0.00 C ATOM 775 O VAL A 58 7.778 4.717 -3.095 1.00 0.00 O ATOM 776 CB VAL A 58 5.407 2.630 -2.189 1.00 0.00 C ATOM 777 CG1 VAL A 58 4.051 3.306 -2.290 1.00 0.00 C ATOM 778 CG2 VAL A 58 5.244 1.135 -1.959 1.00 0.00 C ATOM 0 H VAL A 58 7.531 1.572 -4.439 1.00 0.00 H new ATOM 0 HA VAL A 58 5.632 2.691 -4.333 1.00 0.00 H new ATOM 0 HB VAL A 58 5.940 3.045 -1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.474 3.100 -1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.188 4.382 -2.396 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.516 2.921 -3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.651 0.968 -1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.739 0.688 -2.815 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.225 0.677 -1.837 1.00 0.00 H new ATOM 788 N LYS A 59 5.741 5.240 -3.893 1.00 0.00 N ATOM 789 CA LYS A 59 6.012 6.672 -3.951 1.00 0.00 C ATOM 790 C LYS A 59 6.408 7.209 -2.579 1.00 0.00 C ATOM 791 O LYS A 59 6.407 6.476 -1.589 1.00 0.00 O ATOM 792 CB LYS A 59 4.783 7.421 -4.467 1.00 0.00 C ATOM 793 CG LYS A 59 3.543 7.210 -3.615 1.00 0.00 C ATOM 794 CD LYS A 59 2.277 7.589 -4.368 1.00 0.00 C ATOM 795 CE LYS A 59 1.667 8.870 -3.822 1.00 0.00 C ATOM 796 NZ LYS A 59 0.385 9.209 -4.500 1.00 0.00 N ATOM 0 H LYS A 59 4.806 4.975 -4.204 1.00 0.00 H new ATOM 0 HA LYS A 59 6.844 6.831 -4.637 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.008 8.487 -4.509 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.573 7.099 -5.487 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.485 6.166 -3.307 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.619 7.807 -2.706 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.506 7.716 -5.426 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.552 6.779 -4.294 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.494 8.762 -2.751 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.373 9.691 -3.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.098 9.963 -3.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.580 9.535 -5.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.223 8.366 -4.534 1.00 0.00 H new ATOM 806 N LYS A 60 6.747 8.493 -2.528 1.00 0.00 N ATOM 807 CA LYS A 60 7.144 9.130 -1.278 1.00 0.00 C ATOM 808 C LYS A 60 6.089 10.132 -0.821 1.00 0.00 C ATOM 809 O LYS A 60 5.853 10.295 0.377 1.00 0.00 O ATOM 810 CB LYS A 60 8.493 9.833 -1.446 1.00 0.00 C ATOM 811 CG LYS A 60 9.637 8.885 -1.769 1.00 0.00 C ATOM 812 CD LYS A 60 9.772 7.796 -0.716 1.00 0.00 C ATOM 813 CE LYS A 60 11.230 7.466 -0.440 1.00 0.00 C ATOM 814 NZ LYS A 60 11.677 6.258 -1.186 1.00 0.00 N ATOM 0 H LYS A 60 6.755 9.113 -3.338 1.00 0.00 H new ATOM 0 HA LYS A 60 7.238 8.355 -0.517 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.411 10.574 -2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.728 10.374 -0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.469 8.430 -2.745 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.569 9.447 -1.835 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.290 8.119 0.207 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.252 6.898 -1.050 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.853 8.316 -0.718 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.370 7.305 0.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.676 6.067 -0.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.099 5.441 -0.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.568 6.421 -2.207 1.00 0.00 H new