USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 574 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 43 LYS NZ :NH3+ -122:sc= -0.318 (180deg=-1.12) USER MOD Set 1.2: A 58 GLN :FLIP amide:sc= 0 F(o=-0.92,f=-0.32) USER MOD Set 2.1: A 4 THR OG1 : rot -100:sc= -1.41 USER MOD Set 2.2: A 32 THR OG1 : rot -110:sc= 0.0388 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= 0.752 (180deg=0.376) USER MOD Single : A 6 LYS NZ :NH3+ -153:sc= -0.123 (180deg=-0.854) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 71:sc= 0.573 USER MOD Single : A 16 GLN : amide:sc= -0.0303 X(o=-0.03,f=-0.37) USER MOD Single : A 18 LYS NZ :NH3+ -165:sc=-0.00583 (180deg=-0.138) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -104:sc= -1.26 USER MOD Single : A 25 MET CE :methyl -115:sc= -1.54 (180deg=-8.29!) 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 35 ASN : amide:sc= -0.0327 X(o=-0.033,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.019 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.416 K(o=0.42,f=-4.7!) USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0366) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -4.57! C(o=-4.6!,f=-5.7!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -135:sc= -0.0941 (180deg=-0.6) USER MOD Single : A 68 LYS NZ :NH3+ -170:sc= 0.547 (180deg=0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.200 1.191 2.353 1.00 0.00 N ATOM 2 CA MET A 1 6.119 0.328 1.892 1.00 0.00 C ATOM 3 C MET A 1 6.604 -1.109 1.726 1.00 0.00 C ATOM 4 O MET A 1 7.794 -1.393 1.868 1.00 0.00 O ATOM 5 CB MET A 1 5.555 0.844 0.567 1.00 0.00 C ATOM 6 CG MET A 1 4.599 2.014 0.729 1.00 0.00 C ATOM 7 SD MET A 1 5.454 3.578 1.000 1.00 0.00 S ATOM 8 CE MET A 1 5.493 4.236 -0.665 1.00 0.00 C ATOM 0 H1 MET A 1 7.033 2.163 2.023 1.00 0.00 H new ATOM 0 H2 MET A 1 7.234 1.180 3.392 1.00 0.00 H new ATOM 0 H3 MET A 1 8.105 0.847 1.973 1.00 0.00 H new ATOM 0 HA MET A 1 5.330 0.342 2.644 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.381 1.147 -0.077 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.037 0.030 0.060 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.976 2.095 -0.162 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.932 1.819 1.568 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.993 5.205 -0.662 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.036 3.550 -1.315 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.474 4.355 -1.033 1.00 0.00 H new ATOM 18 N ASP A 2 5.676 -2.011 1.426 1.00 0.00 N ATOM 19 CA ASP A 2 6.010 -3.418 1.240 1.00 0.00 C ATOM 20 C ASP A 2 5.500 -3.924 -0.106 1.00 0.00 C ATOM 21 O ASP A 2 5.000 -5.044 -0.210 1.00 0.00 O ATOM 22 CB ASP A 2 5.418 -4.259 2.372 1.00 0.00 C ATOM 23 CG ASP A 2 5.683 -3.658 3.739 1.00 0.00 C ATOM 24 OD1 ASP A 2 6.765 -3.923 4.303 1.00 0.00 O ATOM 25 OD2 ASP A 2 4.808 -2.924 4.244 1.00 0.00 O ATOM 0 H ASP A 2 4.687 -1.793 1.306 1.00 0.00 H new ATOM 0 HA ASP A 2 7.096 -3.513 1.257 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.343 -4.357 2.224 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.838 -5.264 2.332 1.00 0.00 H new ATOM 30 N GLU A 3 5.630 -3.091 -1.134 1.00 0.00 N ATOM 31 CA GLU A 3 5.181 -3.454 -2.473 1.00 0.00 C ATOM 32 C GLU A 3 6.352 -3.483 -3.451 1.00 0.00 C ATOM 33 O GLU A 3 6.251 -2.988 -4.574 1.00 0.00 O ATOM 34 CB GLU A 3 4.117 -2.470 -2.962 1.00 0.00 C ATOM 35 CG GLU A 3 2.735 -2.732 -2.389 1.00 0.00 C ATOM 36 CD GLU A 3 2.594 -2.243 -0.960 1.00 0.00 C ATOM 37 OE1 GLU A 3 2.828 -1.040 -0.720 1.00 0.00 O ATOM 38 OE2 GLU A 3 2.249 -3.062 -0.083 1.00 0.00 O ATOM 0 H GLU A 3 6.042 -2.161 -1.065 1.00 0.00 H new ATOM 0 HA GLU A 3 4.747 -4.453 -2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.423 -1.457 -2.700 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.065 -2.516 -4.050 1.00 0.00 H new ATOM 0 HG2 GLU A 3 1.988 -2.241 -3.013 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.527 -3.801 -2.425 1.00 0.00 H new ATOM 45 N THR A 4 7.465 -4.066 -3.015 1.00 0.00 N ATOM 46 CA THR A 4 8.656 -4.158 -3.850 1.00 0.00 C ATOM 47 C THR A 4 9.758 -4.944 -3.150 1.00 0.00 C ATOM 48 O THR A 4 10.109 -4.656 -2.006 1.00 0.00 O ATOM 49 CB THR A 4 9.192 -2.762 -4.220 1.00 0.00 C ATOM 50 OG1 THR A 4 10.306 -2.886 -5.112 1.00 0.00 O ATOM 51 CG2 THR A 4 9.615 -1.997 -2.975 1.00 0.00 C ATOM 0 H THR A 4 7.566 -4.481 -2.089 1.00 0.00 H new ATOM 0 HA THR A 4 8.364 -4.680 -4.761 1.00 0.00 H new ATOM 0 HB THR A 4 8.392 -2.209 -4.712 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.141 -2.782 -4.609 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.990 -1.014 -3.262 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.758 -1.879 -2.312 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.400 -2.549 -2.458 1.00 0.00 H new ATOM 59 N GLY A 5 10.303 -5.939 -3.844 1.00 0.00 N ATOM 60 CA GLY A 5 11.361 -6.751 -3.272 1.00 0.00 C ATOM 61 C GLY A 5 11.532 -8.073 -3.994 1.00 0.00 C ATOM 62 O GLY A 5 12.598 -8.687 -3.938 1.00 0.00 O ATOM 0 H GLY A 5 10.030 -6.197 -4.792 1.00 0.00 H new ATOM 0 HA2 GLY A 5 12.299 -6.197 -3.307 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.142 -6.940 -2.221 1.00 0.00 H new ATOM 66 N LYS A 6 10.479 -8.515 -4.673 1.00 0.00 N ATOM 67 CA LYS A 6 10.515 -9.773 -5.409 1.00 0.00 C ATOM 68 C LYS A 6 11.681 -9.794 -6.392 1.00 0.00 C ATOM 69 O LYS A 6 12.176 -10.860 -6.758 1.00 0.00 O ATOM 70 CB LYS A 6 9.198 -9.988 -6.158 1.00 0.00 C ATOM 71 CG LYS A 6 9.210 -9.446 -7.577 1.00 0.00 C ATOM 72 CD LYS A 6 9.246 -7.927 -7.594 1.00 0.00 C ATOM 73 CE LYS A 6 7.844 -7.336 -7.587 1.00 0.00 C ATOM 74 NZ LYS A 6 7.068 -7.736 -8.794 1.00 0.00 N ATOM 0 H LYS A 6 9.589 -8.020 -4.729 1.00 0.00 H new ATOM 0 HA LYS A 6 10.653 -10.582 -4.691 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.976 -11.055 -6.187 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.391 -9.510 -5.602 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.077 -9.837 -8.109 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.325 -9.796 -8.108 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.799 -7.565 -6.727 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.782 -7.585 -8.479 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.316 -7.663 -6.691 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.908 -6.249 -7.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.353 -7.011 -9.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.712 -7.831 -9.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.597 -8.646 -8.618 1.00 0.00 H new ATOM 88 N GLU A 7 12.114 -8.611 -6.815 1.00 0.00 N ATOM 89 CA GLU A 7 13.223 -8.496 -7.756 1.00 0.00 C ATOM 90 C GLU A 7 13.509 -7.033 -8.083 1.00 0.00 C ATOM 91 O GLU A 7 12.760 -6.391 -8.820 1.00 0.00 O ATOM 92 CB GLU A 7 12.912 -9.266 -9.041 1.00 0.00 C ATOM 93 CG GLU A 7 14.078 -10.098 -9.549 1.00 0.00 C ATOM 94 CD GLU A 7 15.375 -9.315 -9.601 1.00 0.00 C ATOM 95 OE1 GLU A 7 15.356 -8.165 -10.087 1.00 0.00 O ATOM 96 OE2 GLU A 7 16.410 -9.853 -9.155 1.00 0.00 O ATOM 0 H GLU A 7 11.715 -7.719 -6.522 1.00 0.00 H new ATOM 0 HA GLU A 7 14.109 -8.926 -7.289 1.00 0.00 H new ATOM 0 HB2 GLU A 7 12.059 -9.921 -8.865 1.00 0.00 H new ATOM 0 HB3 GLU A 7 12.616 -8.559 -9.816 1.00 0.00 H new ATOM 0 HG2 GLU A 7 14.208 -10.967 -8.903 1.00 0.00 H new ATOM 0 HG3 GLU A 7 13.845 -10.474 -10.545 1.00 0.00 H new ATOM 103 N LEU A 8 14.598 -6.512 -7.529 1.00 0.00 N ATOM 104 CA LEU A 8 14.985 -5.124 -7.760 1.00 0.00 C ATOM 105 C LEU A 8 16.352 -5.045 -8.432 1.00 0.00 C ATOM 106 O LEU A 8 17.196 -5.923 -8.253 1.00 0.00 O ATOM 107 CB LEU A 8 15.008 -4.353 -6.439 1.00 0.00 C ATOM 108 CG LEU A 8 13.662 -3.817 -5.951 1.00 0.00 C ATOM 109 CD1 LEU A 8 13.140 -2.746 -6.897 1.00 0.00 C ATOM 110 CD2 LEU A 8 12.654 -4.949 -5.816 1.00 0.00 C ATOM 0 H LEU A 8 15.229 -7.029 -6.917 1.00 0.00 H new ATOM 0 HA LEU A 8 14.247 -4.673 -8.424 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.418 -5.005 -5.668 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.695 -3.513 -6.544 1.00 0.00 H new ATOM 0 HG LEU A 8 13.806 -3.367 -4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.181 -2.376 -6.534 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.853 -1.923 -6.943 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.012 -3.171 -7.892 1.00 0.00 H new ATOM 0 HD21 LEU A 8 11.702 -4.549 -5.468 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.513 -5.428 -6.785 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.024 -5.682 -5.099 1.00 0.00 H new ATOM 122 N VAL A 9 16.565 -3.984 -9.205 1.00 0.00 N ATOM 123 CA VAL A 9 17.831 -3.788 -9.901 1.00 0.00 C ATOM 124 C VAL A 9 18.408 -2.406 -9.612 1.00 0.00 C ATOM 125 O VAL A 9 17.673 -1.464 -9.315 1.00 0.00 O ATOM 126 CB VAL A 9 17.666 -3.955 -11.423 1.00 0.00 C ATOM 127 CG1 VAL A 9 17.013 -5.290 -11.746 1.00 0.00 C ATOM 128 CG2 VAL A 9 16.858 -2.803 -12.001 1.00 0.00 C ATOM 0 H VAL A 9 15.877 -3.248 -9.365 1.00 0.00 H new ATOM 0 HA VAL A 9 18.517 -4.550 -9.532 1.00 0.00 H new ATOM 0 HB VAL A 9 18.655 -3.941 -11.882 1.00 0.00 H new ATOM 0 HG11 VAL A 9 16.905 -5.390 -12.826 1.00 0.00 H new ATOM 0 HG12 VAL A 9 17.635 -6.101 -11.367 1.00 0.00 H new ATOM 0 HG13 VAL A 9 16.030 -5.337 -11.277 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.751 -2.937 -13.077 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.871 -2.782 -11.538 1.00 0.00 H new ATOM 0 HG23 VAL A 9 17.372 -1.862 -11.802 1.00 0.00 H new ATOM 138 N LEU A 10 19.729 -2.293 -9.703 1.00 0.00 N ATOM 139 CA LEU A 10 20.407 -1.026 -9.452 1.00 0.00 C ATOM 140 C LEU A 10 20.820 -0.361 -10.761 1.00 0.00 C ATOM 141 O LEU A 10 21.212 -1.034 -11.714 1.00 0.00 O ATOM 142 CB LEU A 10 21.636 -1.248 -8.569 1.00 0.00 C ATOM 143 CG LEU A 10 22.389 0.011 -8.137 1.00 0.00 C ATOM 144 CD1 LEU A 10 21.509 0.884 -7.257 1.00 0.00 C ATOM 145 CD2 LEU A 10 23.674 -0.360 -7.410 1.00 0.00 C ATOM 0 H LEU A 10 20.351 -3.063 -9.949 1.00 0.00 H new ATOM 0 HA LEU A 10 19.711 -0.366 -8.935 1.00 0.00 H new ATOM 0 HB2 LEU A 10 21.323 -1.785 -7.674 1.00 0.00 H new ATOM 0 HB3 LEU A 10 22.330 -1.897 -9.103 1.00 0.00 H new ATOM 0 HG LEU A 10 22.651 0.579 -9.030 1.00 0.00 H new ATOM 0 HD11 LEU A 10 22.062 1.775 -6.960 1.00 0.00 H new ATOM 0 HD12 LEU A 10 20.618 1.178 -7.811 1.00 0.00 H new ATOM 0 HD13 LEU A 10 21.215 0.326 -6.368 1.00 0.00 H new ATOM 0 HD21 LEU A 10 24.197 0.548 -7.110 1.00 0.00 H new ATOM 0 HD22 LEU A 10 23.434 -0.950 -6.525 1.00 0.00 H new ATOM 0 HD23 LEU A 10 24.312 -0.944 -8.074 1.00 0.00 H new ATOM 157 N ALA A 11 20.733 0.965 -10.799 1.00 0.00 N ATOM 158 CA ALA A 11 21.102 1.721 -11.989 1.00 0.00 C ATOM 159 C ALA A 11 22.541 2.217 -11.900 1.00 0.00 C ATOM 160 O ALA A 11 22.841 3.156 -11.162 1.00 0.00 O ATOM 161 CB ALA A 11 20.150 2.891 -12.187 1.00 0.00 C ATOM 0 H ALA A 11 20.410 1.537 -10.019 1.00 0.00 H new ATOM 0 HA ALA A 11 21.027 1.056 -12.849 1.00 0.00 H new ATOM 0 HB1 ALA A 11 20.437 3.447 -13.079 1.00 0.00 H new ATOM 0 HB2 ALA A 11 19.133 2.517 -12.304 1.00 0.00 H new ATOM 0 HB3 ALA A 11 20.196 3.549 -11.319 1.00 0.00 H new ATOM 167 N LEU A 12 23.429 1.579 -12.655 1.00 0.00 N ATOM 168 CA LEU A 12 24.839 1.955 -12.661 1.00 0.00 C ATOM 169 C LEU A 12 25.037 3.314 -13.324 1.00 0.00 C ATOM 170 O LEU A 12 25.618 4.226 -12.734 1.00 0.00 O ATOM 171 CB LEU A 12 25.667 0.894 -13.388 1.00 0.00 C ATOM 172 CG LEU A 12 25.374 -0.559 -13.012 1.00 0.00 C ATOM 173 CD1 LEU A 12 26.011 -1.508 -14.016 1.00 0.00 C ATOM 174 CD2 LEU A 12 25.871 -0.856 -11.605 1.00 0.00 C ATOM 0 H LEU A 12 23.198 0.799 -13.271 1.00 0.00 H new ATOM 0 HA LEU A 12 25.176 2.024 -11.627 1.00 0.00 H new ATOM 0 HB2 LEU A 12 25.509 1.010 -14.460 1.00 0.00 H new ATOM 0 HB3 LEU A 12 26.722 1.092 -13.198 1.00 0.00 H new ATOM 0 HG LEU A 12 24.295 -0.710 -13.034 1.00 0.00 H new ATOM 0 HD11 LEU A 12 25.792 -2.538 -13.733 1.00 0.00 H new ATOM 0 HD12 LEU A 12 25.607 -1.311 -15.009 1.00 0.00 H new ATOM 0 HD13 LEU A 12 27.090 -1.356 -14.026 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.654 -1.894 -11.354 1.00 0.00 H new ATOM 0 HD22 LEU A 12 26.947 -0.688 -11.556 1.00 0.00 H new ATOM 0 HD23 LEU A 12 25.369 -0.199 -10.895 1.00 0.00 H new ATOM 186 N TYR A 13 24.549 3.444 -14.553 1.00 0.00 N ATOM 187 CA TYR A 13 24.673 4.692 -15.297 1.00 0.00 C ATOM 188 C TYR A 13 23.304 5.320 -15.538 1.00 0.00 C ATOM 189 O TYR A 13 22.358 4.641 -15.939 1.00 0.00 O ATOM 190 CB TYR A 13 25.376 4.446 -16.633 1.00 0.00 C ATOM 191 CG TYR A 13 26.698 3.725 -16.497 1.00 0.00 C ATOM 192 CD1 TYR A 13 26.762 2.337 -16.525 1.00 0.00 C ATOM 193 CD2 TYR A 13 27.884 4.432 -16.340 1.00 0.00 C ATOM 194 CE1 TYR A 13 27.967 1.675 -16.401 1.00 0.00 C ATOM 195 CE2 TYR A 13 29.094 3.777 -16.216 1.00 0.00 C ATOM 196 CZ TYR A 13 29.131 2.399 -16.247 1.00 0.00 C ATOM 197 OH TYR A 13 30.334 1.744 -16.123 1.00 0.00 O ATOM 0 H TYR A 13 24.064 2.700 -15.055 1.00 0.00 H new ATOM 0 HA TYR A 13 25.270 5.383 -14.702 1.00 0.00 H new ATOM 0 HB2 TYR A 13 24.719 3.863 -17.278 1.00 0.00 H new ATOM 0 HB3 TYR A 13 25.543 5.403 -17.128 1.00 0.00 H new ATOM 0 HD1 TYR A 13 25.853 1.766 -16.646 1.00 0.00 H new ATOM 0 HD2 TYR A 13 27.859 5.511 -16.314 1.00 0.00 H new ATOM 0 HE1 TYR A 13 27.998 0.596 -16.424 1.00 0.00 H new ATOM 0 HE2 TYR A 13 30.007 4.342 -16.095 1.00 0.00 H new ATOM 0 HH TYR A 13 31.055 2.400 -16.024 1.00 0.00 H new ATOM 207 N ASP A 14 23.206 6.622 -15.292 1.00 0.00 N ATOM 208 CA ASP A 14 21.954 7.345 -15.484 1.00 0.00 C ATOM 209 C ASP A 14 21.387 7.089 -16.877 1.00 0.00 C ATOM 210 O ASP A 14 22.072 6.555 -17.749 1.00 0.00 O ATOM 211 CB ASP A 14 22.169 8.845 -15.275 1.00 0.00 C ATOM 212 CG ASP A 14 22.984 9.473 -16.388 1.00 0.00 C ATOM 213 OD1 ASP A 14 23.907 8.804 -16.898 1.00 0.00 O ATOM 214 OD2 ASP A 14 22.700 10.634 -16.749 1.00 0.00 O ATOM 0 H ASP A 14 23.979 7.198 -14.959 1.00 0.00 H new ATOM 0 HA ASP A 14 21.237 6.983 -14.747 1.00 0.00 H new ATOM 0 HB2 ASP A 14 21.201 9.343 -15.212 1.00 0.00 H new ATOM 0 HB3 ASP A 14 22.674 9.008 -14.323 1.00 0.00 H new ATOM 219 N TYR A 15 20.130 7.471 -17.077 1.00 0.00 N ATOM 220 CA TYR A 15 19.469 7.280 -18.363 1.00 0.00 C ATOM 221 C TYR A 15 18.528 8.441 -18.669 1.00 0.00 C ATOM 222 O TYR A 15 18.265 9.283 -17.812 1.00 0.00 O ATOM 223 CB TYR A 15 18.691 5.963 -18.369 1.00 0.00 C ATOM 224 CG TYR A 15 18.484 5.388 -19.752 1.00 0.00 C ATOM 225 CD1 TYR A 15 19.563 5.138 -20.591 1.00 0.00 C ATOM 226 CD2 TYR A 15 17.209 5.096 -20.220 1.00 0.00 C ATOM 227 CE1 TYR A 15 19.378 4.614 -21.856 1.00 0.00 C ATOM 228 CE2 TYR A 15 17.015 4.570 -21.483 1.00 0.00 C ATOM 229 CZ TYR A 15 18.102 4.332 -22.297 1.00 0.00 C ATOM 230 OH TYR A 15 17.914 3.808 -23.556 1.00 0.00 O ATOM 0 H TYR A 15 19.549 7.914 -16.366 1.00 0.00 H new ATOM 0 HA TYR A 15 20.237 7.245 -19.136 1.00 0.00 H new ATOM 0 HB2 TYR A 15 19.223 5.234 -17.757 1.00 0.00 H new ATOM 0 HB3 TYR A 15 17.719 6.123 -17.902 1.00 0.00 H new ATOM 0 HD1 TYR A 15 20.564 5.357 -20.248 1.00 0.00 H new ATOM 0 HD2 TYR A 15 16.355 5.283 -19.586 1.00 0.00 H new ATOM 0 HE1 TYR A 15 20.228 4.426 -22.496 1.00 0.00 H new ATOM 0 HE2 TYR A 15 16.017 4.347 -21.831 1.00 0.00 H new ATOM 0 HH TYR A 15 18.238 2.883 -23.577 1.00 0.00 H new ATOM 240 N GLN A 16 18.025 8.477 -19.899 1.00 0.00 N ATOM 241 CA GLN A 16 17.113 9.534 -20.320 1.00 0.00 C ATOM 242 C GLN A 16 16.098 9.007 -21.328 1.00 0.00 C ATOM 243 O GLN A 16 16.376 8.939 -22.525 1.00 0.00 O ATOM 244 CB GLN A 16 17.896 10.700 -20.927 1.00 0.00 C ATOM 245 CG GLN A 16 18.029 11.894 -19.997 1.00 0.00 C ATOM 246 CD GLN A 16 17.040 12.997 -20.318 1.00 0.00 C ATOM 247 OE1 GLN A 16 16.886 13.392 -21.474 1.00 0.00 O ATOM 248 NE2 GLN A 16 16.362 13.501 -19.293 1.00 0.00 N ATOM 0 H GLN A 16 18.233 7.787 -20.621 1.00 0.00 H new ATOM 0 HA GLN A 16 16.574 9.887 -19.441 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.892 10.353 -21.204 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.403 11.019 -21.845 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.881 11.566 -18.968 1.00 0.00 H new ATOM 0 HG3 GLN A 16 19.043 12.290 -20.063 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.521 13.144 -18.351 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.682 14.245 -19.448 1.00 0.00 H new ATOM 257 N GLU A 17 14.920 8.637 -20.836 1.00 0.00 N ATOM 258 CA GLU A 17 13.863 8.115 -21.696 1.00 0.00 C ATOM 259 C GLU A 17 13.595 9.061 -22.863 1.00 0.00 C ATOM 260 O GLU A 17 13.775 10.273 -22.749 1.00 0.00 O ATOM 261 CB GLU A 17 12.579 7.903 -20.892 1.00 0.00 C ATOM 262 CG GLU A 17 12.056 9.170 -20.235 1.00 0.00 C ATOM 263 CD GLU A 17 10.685 8.983 -19.616 1.00 0.00 C ATOM 264 OE1 GLU A 17 10.376 7.852 -19.186 1.00 0.00 O ATOM 265 OE2 GLU A 17 9.919 9.968 -19.562 1.00 0.00 O ATOM 0 H GLU A 17 14.673 8.689 -19.848 1.00 0.00 H new ATOM 0 HA GLU A 17 14.195 7.157 -22.096 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.810 7.501 -21.551 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.762 7.153 -20.122 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.757 9.492 -19.465 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.010 9.967 -20.977 1.00 0.00 H new ATOM 272 N LYS A 18 13.165 8.497 -23.987 1.00 0.00 N ATOM 273 CA LYS A 18 12.870 9.287 -25.176 1.00 0.00 C ATOM 274 C LYS A 18 11.442 9.042 -25.653 1.00 0.00 C ATOM 275 O LYS A 18 10.987 9.654 -26.618 1.00 0.00 O ATOM 276 CB LYS A 18 13.858 8.949 -26.295 1.00 0.00 C ATOM 277 CG LYS A 18 14.230 7.478 -26.354 1.00 0.00 C ATOM 278 CD LYS A 18 13.023 6.608 -26.662 1.00 0.00 C ATOM 279 CE LYS A 18 13.437 5.206 -27.079 1.00 0.00 C ATOM 280 NZ LYS A 18 14.037 5.188 -28.442 1.00 0.00 N ATOM 0 H LYS A 18 13.013 7.495 -24.099 1.00 0.00 H new ATOM 0 HA LYS A 18 12.971 10.341 -24.916 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.426 9.245 -27.251 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.764 9.539 -26.159 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.993 7.325 -27.117 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.665 7.174 -25.402 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.380 6.552 -25.784 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.436 7.067 -27.458 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.155 4.810 -26.361 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.568 4.549 -27.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.072 4.210 -28.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.458 5.766 -29.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.001 5.576 -28.402 1.00 0.00 H new ATOM 294 N SER A 19 10.741 8.144 -24.968 1.00 0.00 N ATOM 295 CA SER A 19 9.365 7.817 -25.324 1.00 0.00 C ATOM 296 C SER A 19 8.503 7.664 -24.074 1.00 0.00 C ATOM 297 O SER A 19 9.000 7.458 -22.967 1.00 0.00 O ATOM 298 CB SER A 19 9.321 6.528 -26.148 1.00 0.00 C ATOM 299 OG SER A 19 9.429 6.806 -27.534 1.00 0.00 O ATOM 0 H SER A 19 11.103 7.630 -24.164 1.00 0.00 H new ATOM 0 HA SER A 19 8.966 8.636 -25.922 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.133 5.869 -25.842 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.389 5.998 -25.951 1.00 0.00 H new ATOM 0 HG SER A 19 9.400 5.967 -28.039 1.00 0.00 H new ATOM 305 N PRO A 20 7.178 7.766 -24.255 1.00 0.00 N ATOM 306 CA PRO A 20 6.217 7.642 -23.154 1.00 0.00 C ATOM 307 C PRO A 20 6.133 6.218 -22.617 1.00 0.00 C ATOM 308 O PRO A 20 5.749 6.000 -21.467 1.00 0.00 O ATOM 309 CB PRO A 20 4.889 8.051 -23.796 1.00 0.00 C ATOM 310 CG PRO A 20 5.063 7.761 -25.246 1.00 0.00 C ATOM 311 CD PRO A 20 6.515 8.010 -25.547 1.00 0.00 C ATOM 0 HA PRO A 20 6.498 8.253 -22.296 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.056 7.486 -23.377 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.676 9.106 -23.626 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.788 6.731 -25.474 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.423 8.403 -25.852 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.886 7.339 -26.322 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.684 9.028 -25.899 1.00 0.00 H new ATOM 319 N ARG A 21 6.493 5.251 -23.455 1.00 0.00 N ATOM 320 CA ARG A 21 6.457 3.847 -23.063 1.00 0.00 C ATOM 321 C ARG A 21 7.746 3.448 -22.351 1.00 0.00 C ATOM 322 O ARG A 21 7.758 2.519 -21.545 1.00 0.00 O ATOM 323 CB ARG A 21 6.243 2.959 -24.289 1.00 0.00 C ATOM 324 CG ARG A 21 7.473 2.834 -25.173 1.00 0.00 C ATOM 325 CD ARG A 21 8.209 1.527 -24.923 1.00 0.00 C ATOM 326 NE ARG A 21 7.728 0.454 -25.790 1.00 0.00 N ATOM 327 CZ ARG A 21 8.094 0.315 -27.059 1.00 0.00 C ATOM 328 NH1 ARG A 21 8.941 1.176 -27.607 1.00 0.00 N ATOM 329 NH2 ARG A 21 7.613 -0.688 -27.783 1.00 0.00 N ATOM 0 H ARG A 21 6.813 5.414 -24.410 1.00 0.00 H new ATOM 0 HA ARG A 21 5.624 3.709 -22.373 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.941 1.965 -23.959 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.421 3.362 -24.880 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.177 2.891 -26.220 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.144 3.672 -24.985 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.276 1.675 -25.087 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.084 1.234 -23.880 1.00 0.00 H new ATOM 0 HE ARG A 21 7.075 -0.226 -25.399 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.313 1.948 -27.054 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.220 1.066 -28.582 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.962 -1.352 -27.365 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.894 -0.794 -28.758 1.00 0.00 H new ATOM 343 N GLU A 22 8.828 4.158 -22.655 1.00 0.00 N ATOM 344 CA GLU A 22 10.122 3.876 -22.045 1.00 0.00 C ATOM 345 C GLU A 22 10.265 4.603 -20.711 1.00 0.00 C ATOM 346 O GLU A 22 9.559 5.575 -20.443 1.00 0.00 O ATOM 347 CB GLU A 22 11.256 4.287 -22.987 1.00 0.00 C ATOM 348 CG GLU A 22 12.512 3.446 -22.832 1.00 0.00 C ATOM 349 CD GLU A 22 12.337 2.035 -23.358 1.00 0.00 C ATOM 350 OE1 GLU A 22 11.179 1.621 -23.575 1.00 0.00 O ATOM 351 OE2 GLU A 22 13.359 1.344 -23.552 1.00 0.00 O ATOM 0 H GLU A 22 8.834 4.932 -23.319 1.00 0.00 H new ATOM 0 HA GLU A 22 10.182 2.803 -21.862 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.906 4.215 -24.017 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.505 5.333 -22.807 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.335 3.927 -23.361 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.790 3.405 -21.779 1.00 0.00 H new ATOM 358 N VAL A 23 11.184 4.125 -19.878 1.00 0.00 N ATOM 359 CA VAL A 23 11.420 4.729 -18.573 1.00 0.00 C ATOM 360 C VAL A 23 12.843 5.266 -18.465 1.00 0.00 C ATOM 361 O VAL A 23 13.630 5.166 -19.407 1.00 0.00 O ATOM 362 CB VAL A 23 11.177 3.720 -17.435 1.00 0.00 C ATOM 363 CG1 VAL A 23 9.687 3.520 -17.208 1.00 0.00 C ATOM 364 CG2 VAL A 23 11.860 2.396 -17.743 1.00 0.00 C ATOM 0 H VAL A 23 11.777 3.321 -20.084 1.00 0.00 H new ATOM 0 HA VAL A 23 10.714 5.554 -18.474 1.00 0.00 H new ATOM 0 HB VAL A 23 11.609 4.121 -16.518 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.535 2.804 -16.400 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.229 4.472 -16.940 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.228 3.140 -18.121 1.00 0.00 H new ATOM 0 HG21 VAL A 23 11.678 1.695 -16.929 1.00 0.00 H new ATOM 0 HG22 VAL A 23 11.459 1.987 -18.670 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.933 2.556 -17.851 1.00 0.00 H new ATOM 374 N THR A 24 13.169 5.837 -17.310 1.00 0.00 N ATOM 375 CA THR A 24 14.497 6.391 -17.078 1.00 0.00 C ATOM 376 C THR A 24 14.931 6.193 -15.630 1.00 0.00 C ATOM 377 O THR A 24 14.128 5.812 -14.779 1.00 0.00 O ATOM 378 CB THR A 24 14.545 7.893 -17.416 1.00 0.00 C ATOM 379 OG1 THR A 24 15.879 8.272 -17.774 1.00 0.00 O ATOM 380 CG2 THR A 24 14.076 8.729 -16.234 1.00 0.00 C ATOM 0 H THR A 24 12.531 5.928 -16.520 1.00 0.00 H new ATOM 0 HA THR A 24 15.182 5.856 -17.735 1.00 0.00 H new ATOM 0 HB THR A 24 13.877 8.075 -18.258 1.00 0.00 H new ATOM 0 HG1 THR A 24 16.290 8.763 -17.032 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.119 9.786 -16.496 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.051 8.459 -15.981 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.722 8.542 -15.377 1.00 0.00 H new ATOM 388 N MET A 25 16.205 6.455 -15.358 1.00 0.00 N ATOM 389 CA MET A 25 16.744 6.307 -14.011 1.00 0.00 C ATOM 390 C MET A 25 18.024 7.119 -13.846 1.00 0.00 C ATOM 391 O MET A 25 18.574 7.637 -14.819 1.00 0.00 O ATOM 392 CB MET A 25 17.019 4.833 -13.708 1.00 0.00 C ATOM 393 CG MET A 25 17.640 4.078 -14.873 1.00 0.00 C ATOM 394 SD MET A 25 19.387 4.465 -15.099 1.00 0.00 S ATOM 395 CE MET A 25 19.877 3.167 -16.232 1.00 0.00 C ATOM 0 H MET A 25 16.883 6.771 -16.052 1.00 0.00 H new ATOM 0 HA MET A 25 16.002 6.683 -13.306 1.00 0.00 H new ATOM 0 HB2 MET A 25 17.683 4.766 -12.847 1.00 0.00 H new ATOM 0 HB3 MET A 25 16.084 4.348 -13.428 1.00 0.00 H new ATOM 0 HG2 MET A 25 17.528 3.006 -14.708 1.00 0.00 H new ATOM 0 HG3 MET A 25 17.097 4.318 -15.787 1.00 0.00 H new ATOM 0 HE1 MET A 25 20.597 2.510 -15.743 1.00 0.00 H new ATOM 0 HE2 MET A 25 19.000 2.590 -16.525 1.00 0.00 H new ATOM 0 HE3 MET A 25 20.333 3.610 -17.118 1.00 0.00 H new ATOM 405 N LYS A 26 18.495 7.228 -12.608 1.00 0.00 N ATOM 406 CA LYS A 26 19.712 7.977 -12.315 1.00 0.00 C ATOM 407 C LYS A 26 20.747 7.088 -11.634 1.00 0.00 C ATOM 408 O LYS A 26 20.422 6.011 -11.132 1.00 0.00 O ATOM 409 CB LYS A 26 19.392 9.180 -11.425 1.00 0.00 C ATOM 410 CG LYS A 26 18.855 10.377 -12.190 1.00 0.00 C ATOM 411 CD LYS A 26 18.316 11.443 -11.251 1.00 0.00 C ATOM 412 CE LYS A 26 16.978 11.036 -10.655 1.00 0.00 C ATOM 413 NZ LYS A 26 16.370 12.134 -9.853 1.00 0.00 N ATOM 0 H LYS A 26 18.052 6.807 -11.791 1.00 0.00 H new ATOM 0 HA LYS A 26 20.128 8.331 -13.258 1.00 0.00 H new ATOM 0 HB2 LYS A 26 18.660 8.881 -10.674 1.00 0.00 H new ATOM 0 HB3 LYS A 26 20.295 9.476 -10.891 1.00 0.00 H new ATOM 0 HG2 LYS A 26 19.647 10.801 -12.807 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.064 10.053 -12.866 1.00 0.00 H new ATOM 0 HD2 LYS A 26 19.034 11.620 -10.450 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.204 12.383 -11.792 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.296 10.751 -11.456 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.114 10.158 -10.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.459 11.816 -9.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.009 12.389 -9.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.216 12.964 -10.461 1.00 0.00 H new ATOM 427 N LYS A 27 21.994 7.545 -11.617 1.00 0.00 N ATOM 428 CA LYS A 27 23.077 6.793 -10.995 1.00 0.00 C ATOM 429 C LYS A 27 22.739 6.449 -9.548 1.00 0.00 C ATOM 430 O LYS A 27 22.547 7.335 -8.717 1.00 0.00 O ATOM 431 CB LYS A 27 24.379 7.596 -11.048 1.00 0.00 C ATOM 432 CG LYS A 27 24.693 8.155 -12.425 1.00 0.00 C ATOM 433 CD LYS A 27 24.610 9.672 -12.443 1.00 0.00 C ATOM 434 CE LYS A 27 25.644 10.275 -13.382 1.00 0.00 C ATOM 435 NZ LYS A 27 26.906 10.620 -12.670 1.00 0.00 N ATOM 0 H LYS A 27 22.280 8.434 -12.027 1.00 0.00 H new ATOM 0 HA LYS A 27 23.207 5.864 -11.551 1.00 0.00 H new ATOM 0 HB2 LYS A 27 24.318 8.419 -10.336 1.00 0.00 H new ATOM 0 HB3 LYS A 27 25.203 6.958 -10.727 1.00 0.00 H new ATOM 0 HG2 LYS A 27 25.692 7.841 -12.727 1.00 0.00 H new ATOM 0 HG3 LYS A 27 23.995 7.743 -13.154 1.00 0.00 H new ATOM 0 HD2 LYS A 27 23.611 9.979 -12.754 1.00 0.00 H new ATOM 0 HD3 LYS A 27 24.763 10.058 -11.435 1.00 0.00 H new ATOM 0 HE2 LYS A 27 25.861 9.570 -14.184 1.00 0.00 H new ATOM 0 HE3 LYS A 27 25.233 11.171 -13.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 27.585 11.028 -13.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 26.704 11.312 -11.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 27.312 9.761 -12.247 1.00 0.00 H new ATOM 449 N GLY A 28 22.669 5.154 -9.253 1.00 0.00 N ATOM 450 CA GLY A 28 22.356 4.716 -7.906 1.00 0.00 C ATOM 451 C GLY A 28 20.866 4.545 -7.684 1.00 0.00 C ATOM 452 O GLY A 28 20.412 4.414 -6.547 1.00 0.00 O ATOM 0 H GLY A 28 22.824 4.401 -9.923 1.00 0.00 H new ATOM 0 HA2 GLY A 28 22.861 3.770 -7.708 1.00 0.00 H new ATOM 0 HA3 GLY A 28 22.746 5.441 -7.192 1.00 0.00 H new ATOM 456 N ASP A 29 20.103 4.548 -8.771 1.00 0.00 N ATOM 457 CA ASP A 29 18.656 4.393 -8.690 1.00 0.00 C ATOM 458 C ASP A 29 18.272 2.920 -8.588 1.00 0.00 C ATOM 459 O ASP A 29 19.076 2.037 -8.885 1.00 0.00 O ATOM 460 CB ASP A 29 17.984 5.024 -9.910 1.00 0.00 C ATOM 461 CG ASP A 29 16.477 5.105 -9.766 1.00 0.00 C ATOM 462 OD1 ASP A 29 15.997 5.206 -8.618 1.00 0.00 O ATOM 463 OD2 ASP A 29 15.778 5.065 -10.800 1.00 0.00 O ATOM 0 H ASP A 29 20.463 4.656 -9.719 1.00 0.00 H new ATOM 0 HA ASP A 29 18.311 4.903 -7.791 1.00 0.00 H new ATOM 0 HB2 ASP A 29 18.385 6.026 -10.064 1.00 0.00 H new ATOM 0 HB3 ASP A 29 18.230 4.442 -10.798 1.00 0.00 H new ATOM 468 N ILE A 30 17.039 2.663 -8.164 1.00 0.00 N ATOM 469 CA ILE A 30 16.549 1.298 -8.023 1.00 0.00 C ATOM 470 C ILE A 30 15.220 1.113 -8.747 1.00 0.00 C ATOM 471 O ILE A 30 14.306 1.927 -8.609 1.00 0.00 O ATOM 472 CB ILE A 30 16.372 0.913 -6.542 1.00 0.00 C ATOM 473 CG1 ILE A 30 17.680 1.127 -5.777 1.00 0.00 C ATOM 474 CG2 ILE A 30 15.912 -0.532 -6.421 1.00 0.00 C ATOM 475 CD1 ILE A 30 17.521 1.051 -4.275 1.00 0.00 C ATOM 0 H ILE A 30 16.361 3.383 -7.912 1.00 0.00 H new ATOM 0 HA ILE A 30 17.298 0.646 -8.472 1.00 0.00 H new ATOM 0 HB ILE A 30 15.607 1.555 -6.104 1.00 0.00 H new ATOM 0 HG12 ILE A 30 18.405 0.378 -6.096 1.00 0.00 H new ATOM 0 HG13 ILE A 30 18.091 2.101 -6.042 1.00 0.00 H new ATOM 0 HG21 ILE A 30 15.792 -0.789 -5.368 1.00 0.00 H new ATOM 0 HG22 ILE A 30 14.959 -0.655 -6.936 1.00 0.00 H new ATOM 0 HG23 ILE A 30 16.655 -1.189 -6.872 1.00 0.00 H new ATOM 0 HD11 ILE A 30 18.488 1.212 -3.798 1.00 0.00 H new ATOM 0 HD12 ILE A 30 16.821 1.818 -3.944 1.00 0.00 H new ATOM 0 HD13 ILE A 30 17.139 0.068 -3.999 1.00 0.00 H new ATOM 487 N LEU A 31 15.117 0.036 -9.518 1.00 0.00 N ATOM 488 CA LEU A 31 13.898 -0.258 -10.263 1.00 0.00 C ATOM 489 C LEU A 31 13.485 -1.715 -10.079 1.00 0.00 C ATOM 490 O LEU A 31 14.325 -2.616 -10.087 1.00 0.00 O ATOM 491 CB LEU A 31 14.100 0.042 -11.749 1.00 0.00 C ATOM 492 CG LEU A 31 14.211 1.520 -12.126 1.00 0.00 C ATOM 493 CD1 LEU A 31 13.061 2.312 -11.525 1.00 0.00 C ATOM 494 CD2 LEU A 31 15.548 2.088 -11.669 1.00 0.00 C ATOM 0 H LEU A 31 15.863 -0.648 -9.644 1.00 0.00 H new ATOM 0 HA LEU A 31 13.102 0.378 -9.875 1.00 0.00 H new ATOM 0 HB2 LEU A 31 15.005 -0.466 -12.082 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.268 -0.392 -12.303 1.00 0.00 H new ATOM 0 HG LEU A 31 14.155 1.603 -13.211 1.00 0.00 H new ATOM 0 HD11 LEU A 31 13.157 3.361 -11.804 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.115 1.922 -11.900 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.085 2.222 -10.439 1.00 0.00 H new ATOM 0 HD21 LEU A 31 15.610 3.141 -11.946 1.00 0.00 H new ATOM 0 HD22 LEU A 31 15.633 1.992 -10.587 1.00 0.00 H new ATOM 0 HD23 LEU A 31 16.359 1.539 -12.147 1.00 0.00 H new ATOM 506 N THR A 32 12.185 -1.941 -9.915 1.00 0.00 N ATOM 507 CA THR A 32 11.661 -3.288 -9.730 1.00 0.00 C ATOM 508 C THR A 32 11.497 -4.002 -11.066 1.00 0.00 C ATOM 509 O THR A 32 10.826 -3.503 -11.970 1.00 0.00 O ATOM 510 CB THR A 32 10.304 -3.267 -9.001 1.00 0.00 C ATOM 511 OG1 THR A 32 10.140 -2.026 -8.305 1.00 0.00 O ATOM 512 CG2 THR A 32 10.199 -4.424 -8.019 1.00 0.00 C ATOM 0 H THR A 32 11.476 -1.208 -9.907 1.00 0.00 H new ATOM 0 HA THR A 32 12.385 -3.828 -9.119 1.00 0.00 H new ATOM 0 HB THR A 32 9.515 -3.371 -9.746 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.191 -2.184 -7.339 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.232 -4.388 -7.516 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.294 -5.367 -8.557 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.996 -4.347 -7.279 1.00 0.00 H new ATOM 520 N LEU A 33 12.112 -5.174 -11.185 1.00 0.00 N ATOM 521 CA LEU A 33 12.033 -5.958 -12.412 1.00 0.00 C ATOM 522 C LEU A 33 10.665 -6.619 -12.549 1.00 0.00 C ATOM 523 O LEU A 33 10.159 -7.225 -11.604 1.00 0.00 O ATOM 524 CB LEU A 33 13.131 -7.023 -12.431 1.00 0.00 C ATOM 525 CG LEU A 33 13.234 -7.858 -13.708 1.00 0.00 C ATOM 526 CD1 LEU A 33 12.205 -8.978 -13.698 1.00 0.00 C ATOM 527 CD2 LEU A 33 13.056 -6.978 -14.936 1.00 0.00 C ATOM 0 H LEU A 33 12.671 -5.602 -10.447 1.00 0.00 H new ATOM 0 HA LEU A 33 12.175 -5.283 -13.256 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.089 -6.531 -12.264 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.969 -7.699 -11.591 1.00 0.00 H new ATOM 0 HG LEU A 33 14.227 -8.306 -13.748 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.293 -9.561 -14.614 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.379 -9.625 -12.838 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.204 -8.552 -13.634 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.132 -7.589 -15.836 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.076 -6.501 -14.903 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.832 -6.212 -14.950 1.00 0.00 H new ATOM 539 N LEU A 34 10.073 -6.501 -13.732 1.00 0.00 N ATOM 540 CA LEU A 34 8.764 -7.088 -13.995 1.00 0.00 C ATOM 541 C LEU A 34 8.873 -8.238 -14.992 1.00 0.00 C ATOM 542 O LEU A 34 8.187 -9.251 -14.864 1.00 0.00 O ATOM 543 CB LEU A 34 7.803 -6.025 -14.529 1.00 0.00 C ATOM 544 CG LEU A 34 6.943 -5.312 -13.484 1.00 0.00 C ATOM 545 CD1 LEU A 34 6.075 -6.312 -12.736 1.00 0.00 C ATOM 546 CD2 LEU A 34 7.819 -4.532 -12.514 1.00 0.00 C ATOM 0 H LEU A 34 10.479 -6.004 -14.525 1.00 0.00 H new ATOM 0 HA LEU A 34 8.375 -7.481 -13.056 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.384 -5.275 -15.065 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.141 -6.495 -15.256 1.00 0.00 H new ATOM 0 HG LEU A 34 6.289 -4.607 -13.998 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.470 -5.787 -11.997 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.422 -6.826 -13.441 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.711 -7.041 -12.233 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.190 -4.031 -11.778 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.498 -5.217 -12.006 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.397 -3.789 -13.063 1.00 0.00 H new ATOM 558 N ASN A 35 9.742 -8.073 -15.984 1.00 0.00 N ATOM 559 CA ASN A 35 9.943 -9.098 -17.002 1.00 0.00 C ATOM 560 C ASN A 35 11.374 -9.067 -17.531 1.00 0.00 C ATOM 561 O ASN A 35 11.867 -8.022 -17.954 1.00 0.00 O ATOM 562 CB ASN A 35 8.957 -8.900 -18.155 1.00 0.00 C ATOM 563 CG ASN A 35 7.920 -10.005 -18.225 1.00 0.00 C ATOM 564 OD1 ASN A 35 6.720 -9.753 -18.112 1.00 0.00 O ATOM 565 ND2 ASN A 35 8.380 -11.237 -18.411 1.00 0.00 N ATOM 0 H ASN A 35 10.318 -7.240 -16.105 1.00 0.00 H new ATOM 0 HA ASN A 35 9.766 -10.071 -16.543 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.454 -7.940 -18.038 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.506 -8.860 -19.096 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.730 -12.021 -18.466 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.383 -11.399 -18.499 1.00 0.00 H new ATOM 572 N SER A 36 12.034 -10.220 -17.503 1.00 0.00 N ATOM 573 CA SER A 36 13.409 -10.325 -17.977 1.00 0.00 C ATOM 574 C SER A 36 13.520 -11.347 -19.104 1.00 0.00 C ATOM 575 O SER A 36 14.485 -12.108 -19.176 1.00 0.00 O ATOM 576 CB SER A 36 14.339 -10.715 -16.826 1.00 0.00 C ATOM 577 OG SER A 36 14.166 -12.077 -16.471 1.00 0.00 O ATOM 0 H SER A 36 11.639 -11.095 -17.157 1.00 0.00 H new ATOM 0 HA SER A 36 13.709 -9.351 -18.364 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.375 -10.540 -17.116 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.139 -10.082 -15.962 1.00 0.00 H new ATOM 0 HG SER A 36 14.772 -12.303 -15.735 1.00 0.00 H new ATOM 583 N THR A 37 12.523 -11.358 -19.984 1.00 0.00 N ATOM 584 CA THR A 37 12.506 -12.286 -21.108 1.00 0.00 C ATOM 585 C THR A 37 13.637 -11.987 -22.085 1.00 0.00 C ATOM 586 O THR A 37 14.074 -12.864 -22.829 1.00 0.00 O ATOM 587 CB THR A 37 11.163 -12.230 -21.861 1.00 0.00 C ATOM 588 OG1 THR A 37 11.176 -13.156 -22.954 1.00 0.00 O ATOM 589 CG2 THR A 37 10.893 -10.827 -22.382 1.00 0.00 C ATOM 0 H THR A 37 11.717 -10.735 -19.940 1.00 0.00 H new ATOM 0 HA THR A 37 12.642 -13.286 -20.695 1.00 0.00 H new ATOM 0 HB THR A 37 10.369 -12.501 -21.165 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.319 -13.116 -23.427 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.940 -10.812 -22.910 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.855 -10.129 -21.545 1.00 0.00 H new ATOM 0 HG23 THR A 37 11.690 -10.533 -23.064 1.00 0.00 H new ATOM 597 N ASN A 38 14.107 -10.744 -22.076 1.00 0.00 N ATOM 598 CA ASN A 38 15.189 -10.330 -22.963 1.00 0.00 C ATOM 599 C ASN A 38 16.487 -10.139 -22.185 1.00 0.00 C ATOM 600 O ASN A 38 16.493 -10.146 -20.953 1.00 0.00 O ATOM 601 CB ASN A 38 14.817 -9.033 -23.684 1.00 0.00 C ATOM 602 CG ASN A 38 15.386 -8.969 -25.088 1.00 0.00 C ATOM 603 OD1 ASN A 38 16.525 -8.550 -25.290 1.00 0.00 O ATOM 604 ND2 ASN A 38 14.591 -9.385 -26.067 1.00 0.00 N ATOM 0 H ASN A 38 13.756 -10.006 -21.465 1.00 0.00 H new ATOM 0 HA ASN A 38 15.342 -11.117 -23.701 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.732 -8.945 -23.730 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.182 -8.183 -23.108 1.00 0.00 H new ATOM 0 HD21 ASN A 38 14.918 -9.365 -27.033 1.00 0.00 H new ATOM 0 HD22 ASN A 38 13.653 -9.725 -25.853 1.00 0.00 H new ATOM 611 N LYS A 39 17.586 -9.967 -22.911 1.00 0.00 N ATOM 612 CA LYS A 39 18.891 -9.772 -22.291 1.00 0.00 C ATOM 613 C LYS A 39 19.402 -8.355 -22.534 1.00 0.00 C ATOM 614 O LYS A 39 20.184 -7.824 -21.746 1.00 0.00 O ATOM 615 CB LYS A 39 19.896 -10.789 -22.837 1.00 0.00 C ATOM 616 CG LYS A 39 20.174 -10.632 -24.322 1.00 0.00 C ATOM 617 CD LYS A 39 20.805 -11.885 -24.906 1.00 0.00 C ATOM 618 CE LYS A 39 22.236 -12.065 -24.425 1.00 0.00 C ATOM 619 NZ LYS A 39 23.168 -11.110 -25.087 1.00 0.00 N ATOM 0 H LYS A 39 17.599 -9.959 -23.931 1.00 0.00 H new ATOM 0 HA LYS A 39 18.781 -9.921 -21.217 1.00 0.00 H new ATOM 0 HB2 LYS A 39 20.833 -10.692 -22.288 1.00 0.00 H new ATOM 0 HB3 LYS A 39 19.520 -11.795 -22.651 1.00 0.00 H new ATOM 0 HG2 LYS A 39 19.244 -10.414 -24.846 1.00 0.00 H new ATOM 0 HG3 LYS A 39 20.837 -9.781 -24.481 1.00 0.00 H new ATOM 0 HD2 LYS A 39 20.213 -12.756 -24.625 1.00 0.00 H new ATOM 0 HD3 LYS A 39 20.791 -11.827 -25.994 1.00 0.00 H new ATOM 0 HE2 LYS A 39 22.277 -11.923 -23.345 1.00 0.00 H new ATOM 0 HE3 LYS A 39 22.560 -13.086 -24.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 24.146 -11.331 -24.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 23.074 -11.192 -26.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 22.936 -10.139 -24.794 1.00 0.00 H new ATOM 633 N ASP A 40 18.955 -7.750 -23.629 1.00 0.00 N ATOM 634 CA ASP A 40 19.366 -6.394 -23.974 1.00 0.00 C ATOM 635 C ASP A 40 18.638 -5.369 -23.110 1.00 0.00 C ATOM 636 O ASP A 40 19.266 -4.545 -22.446 1.00 0.00 O ATOM 637 CB ASP A 40 19.094 -6.117 -25.454 1.00 0.00 C ATOM 638 CG ASP A 40 19.875 -7.040 -26.368 1.00 0.00 C ATOM 639 OD1 ASP A 40 21.081 -7.243 -26.116 1.00 0.00 O ATOM 640 OD2 ASP A 40 19.281 -7.558 -27.337 1.00 0.00 O ATOM 0 H ASP A 40 18.308 -8.177 -24.293 1.00 0.00 H new ATOM 0 HA ASP A 40 20.436 -6.306 -23.786 1.00 0.00 H new ATOM 0 HB2 ASP A 40 18.028 -6.231 -25.652 1.00 0.00 H new ATOM 0 HB3 ASP A 40 19.352 -5.082 -25.681 1.00 0.00 H new ATOM 645 N TRP A 41 17.311 -5.426 -23.125 1.00 0.00 N ATOM 646 CA TRP A 41 16.498 -4.501 -22.343 1.00 0.00 C ATOM 647 C TRP A 41 15.533 -5.258 -21.437 1.00 0.00 C ATOM 648 O TRP A 41 14.939 -6.256 -21.844 1.00 0.00 O ATOM 649 CB TRP A 41 15.720 -3.566 -23.270 1.00 0.00 C ATOM 650 CG TRP A 41 16.579 -2.907 -24.306 1.00 0.00 C ATOM 651 CD1 TRP A 41 17.052 -3.469 -25.457 1.00 0.00 C ATOM 652 CD2 TRP A 41 17.068 -1.561 -24.285 1.00 0.00 C ATOM 653 NE1 TRP A 41 17.806 -2.554 -26.152 1.00 0.00 N ATOM 654 CE2 TRP A 41 17.830 -1.376 -25.454 1.00 0.00 C ATOM 655 CE3 TRP A 41 16.934 -0.494 -23.392 1.00 0.00 C ATOM 656 CZ2 TRP A 41 18.456 -0.168 -25.751 1.00 0.00 C ATOM 657 CZ3 TRP A 41 17.556 0.704 -23.688 1.00 0.00 C ATOM 658 CH2 TRP A 41 18.308 0.859 -24.860 1.00 0.00 C ATOM 0 H TRP A 41 16.775 -6.102 -23.669 1.00 0.00 H new ATOM 0 HA TRP A 41 17.165 -3.908 -21.717 1.00 0.00 H new ATOM 0 HB2 TRP A 41 14.933 -4.132 -23.768 1.00 0.00 H new ATOM 0 HB3 TRP A 41 15.231 -2.797 -22.672 1.00 0.00 H new ATOM 0 HD1 TRP A 41 16.862 -4.484 -25.775 1.00 0.00 H new ATOM 0 HE1 TRP A 41 18.272 -2.725 -27.043 1.00 0.00 H new ATOM 0 HE3 TRP A 41 16.355 -0.604 -22.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 19.038 -0.046 -26.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 17.461 1.535 -23.004 1.00 0.00 H new ATOM 0 HH2 TRP A 41 18.780 1.809 -25.064 1.00 0.00 H new ATOM 669 N TRP A 42 15.381 -4.776 -20.209 1.00 0.00 N ATOM 670 CA TRP A 42 14.487 -5.408 -19.246 1.00 0.00 C ATOM 671 C TRP A 42 13.283 -4.519 -18.956 1.00 0.00 C ATOM 672 O TRP A 42 13.365 -3.295 -19.053 1.00 0.00 O ATOM 673 CB TRP A 42 15.236 -5.713 -17.947 1.00 0.00 C ATOM 674 CG TRP A 42 16.404 -6.632 -18.137 1.00 0.00 C ATOM 675 CD1 TRP A 42 16.559 -7.568 -19.119 1.00 0.00 C ATOM 676 CD2 TRP A 42 17.579 -6.704 -17.322 1.00 0.00 C ATOM 677 NE1 TRP A 42 17.760 -8.218 -18.964 1.00 0.00 N ATOM 678 CE2 TRP A 42 18.405 -7.706 -17.869 1.00 0.00 C ATOM 679 CE3 TRP A 42 18.015 -6.019 -16.185 1.00 0.00 C ATOM 680 CZ2 TRP A 42 19.639 -8.037 -17.316 1.00 0.00 C ATOM 681 CZ3 TRP A 42 19.240 -6.350 -15.637 1.00 0.00 C ATOM 682 CH2 TRP A 42 20.040 -7.350 -16.203 1.00 0.00 C ATOM 0 H TRP A 42 15.865 -3.950 -19.857 1.00 0.00 H new ATOM 0 HA TRP A 42 14.129 -6.342 -19.679 1.00 0.00 H new ATOM 0 HB2 TRP A 42 15.586 -4.778 -17.510 1.00 0.00 H new ATOM 0 HB3 TRP A 42 14.544 -6.159 -17.233 1.00 0.00 H new ATOM 0 HD1 TRP A 42 15.843 -7.768 -19.902 1.00 0.00 H new ATOM 0 HE1 TRP A 42 18.114 -8.961 -19.567 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.406 -5.245 -15.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 20.258 -8.809 -17.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 19.586 -5.828 -14.757 1.00 0.00 H new ATOM 0 HH2 TRP A 42 20.993 -7.584 -15.752 1.00 0.00 H new ATOM 693 N LYS A 43 12.164 -5.142 -18.600 1.00 0.00 N ATOM 694 CA LYS A 43 10.943 -4.408 -18.294 1.00 0.00 C ATOM 695 C LYS A 43 10.815 -4.164 -16.794 1.00 0.00 C ATOM 696 O LYS A 43 10.582 -5.094 -16.021 1.00 0.00 O ATOM 697 CB LYS A 43 9.721 -5.176 -18.802 1.00 0.00 C ATOM 698 CG LYS A 43 8.402 -4.474 -18.524 1.00 0.00 C ATOM 699 CD LYS A 43 8.083 -3.443 -19.593 1.00 0.00 C ATOM 700 CE LYS A 43 6.847 -3.830 -20.390 1.00 0.00 C ATOM 701 NZ LYS A 43 5.659 -4.020 -19.513 1.00 0.00 N ATOM 0 H LYS A 43 12.078 -6.155 -18.516 1.00 0.00 H new ATOM 0 HA LYS A 43 10.994 -3.443 -18.798 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.821 -5.331 -19.876 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.703 -6.162 -18.338 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.600 -5.210 -18.477 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.446 -3.987 -17.550 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.927 -2.470 -19.127 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.934 -3.340 -20.266 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.634 -3.057 -21.128 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.043 -4.750 -20.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.288 -4.984 -19.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.934 -3.879 -18.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.924 -3.330 -19.770 1.00 0.00 H new ATOM 715 N VAL A 44 10.968 -2.907 -16.388 1.00 0.00 N ATOM 716 CA VAL A 44 10.867 -2.541 -14.980 1.00 0.00 C ATOM 717 C VAL A 44 9.700 -1.590 -14.741 1.00 0.00 C ATOM 718 O VAL A 44 9.210 -0.948 -15.670 1.00 0.00 O ATOM 719 CB VAL A 44 12.164 -1.880 -14.478 1.00 0.00 C ATOM 720 CG1 VAL A 44 13.356 -2.795 -14.713 1.00 0.00 C ATOM 721 CG2 VAL A 44 12.373 -0.534 -15.156 1.00 0.00 C ATOM 0 H VAL A 44 11.162 -2.126 -17.014 1.00 0.00 H new ATOM 0 HA VAL A 44 10.699 -3.464 -14.425 1.00 0.00 H new ATOM 0 HB VAL A 44 12.073 -1.711 -13.405 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.263 -2.311 -14.352 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.207 -3.732 -14.177 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.453 -2.999 -15.779 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.294 -0.081 -14.789 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.443 -0.677 -16.234 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.532 0.121 -14.931 1.00 0.00 H new ATOM 731 N GLU A 45 9.258 -1.506 -13.490 1.00 0.00 N ATOM 732 CA GLU A 45 8.147 -0.633 -13.130 1.00 0.00 C ATOM 733 C GLU A 45 8.631 0.544 -12.287 1.00 0.00 C ATOM 734 O GLU A 45 9.283 0.359 -11.259 1.00 0.00 O ATOM 735 CB GLU A 45 7.080 -1.418 -12.365 1.00 0.00 C ATOM 736 CG GLU A 45 5.895 -0.571 -11.931 1.00 0.00 C ATOM 737 CD GLU A 45 5.018 -1.273 -10.913 1.00 0.00 C ATOM 738 OE1 GLU A 45 5.486 -1.492 -9.776 1.00 0.00 O ATOM 739 OE2 GLU A 45 3.863 -1.603 -11.253 1.00 0.00 O ATOM 0 H GLU A 45 9.652 -2.031 -12.710 1.00 0.00 H new ATOM 0 HA GLU A 45 7.711 -0.244 -14.050 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.722 -2.234 -12.992 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.535 -1.870 -11.484 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.258 0.366 -11.508 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.297 -0.315 -12.805 1.00 0.00 H new ATOM 746 N VAL A 46 8.307 1.755 -12.730 1.00 0.00 N ATOM 747 CA VAL A 46 8.707 2.962 -12.018 1.00 0.00 C ATOM 748 C VAL A 46 7.499 3.666 -11.409 1.00 0.00 C ATOM 749 O VAL A 46 6.354 3.298 -11.671 1.00 0.00 O ATOM 750 CB VAL A 46 9.446 3.943 -12.947 1.00 0.00 C ATOM 751 CG1 VAL A 46 10.637 3.263 -13.604 1.00 0.00 C ATOM 752 CG2 VAL A 46 8.495 4.502 -13.995 1.00 0.00 C ATOM 0 H VAL A 46 7.768 1.926 -13.579 1.00 0.00 H new ATOM 0 HA VAL A 46 9.382 2.651 -11.221 1.00 0.00 H new ATOM 0 HB VAL A 46 9.819 4.773 -12.347 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.146 3.972 -14.257 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.328 2.916 -12.835 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.292 2.412 -14.192 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.033 5.193 -14.643 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.091 3.685 -14.592 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.678 5.029 -13.501 1.00 0.00 H new ATOM 762 N LYS A 47 7.763 4.683 -10.595 1.00 0.00 N ATOM 763 CA LYS A 47 6.698 5.442 -9.949 1.00 0.00 C ATOM 764 C LYS A 47 6.697 6.891 -10.426 1.00 0.00 C ATOM 765 O LYS A 47 7.736 7.430 -10.807 1.00 0.00 O ATOM 766 CB LYS A 47 6.861 5.395 -8.428 1.00 0.00 C ATOM 767 CG LYS A 47 6.746 3.996 -7.847 1.00 0.00 C ATOM 768 CD LYS A 47 7.448 3.890 -6.504 1.00 0.00 C ATOM 769 CE LYS A 47 6.752 4.729 -5.443 1.00 0.00 C ATOM 770 NZ LYS A 47 7.618 4.948 -4.252 1.00 0.00 N ATOM 0 H LYS A 47 8.705 5.001 -10.367 1.00 0.00 H new ATOM 0 HA LYS A 47 5.745 4.987 -10.221 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.833 5.811 -8.162 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.105 6.033 -7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.694 3.735 -7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.178 3.276 -8.542 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.473 2.848 -6.187 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.483 4.217 -6.606 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.470 5.692 -5.869 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.831 4.234 -5.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.107 5.524 -3.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.866 4.031 -3.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.486 5.443 -4.540 1.00 0.00 H new ATOM 784 N ALA A 48 5.525 7.516 -10.401 1.00 0.00 N ATOM 785 CA ALA A 48 5.389 8.903 -10.827 1.00 0.00 C ATOM 786 C ALA A 48 4.402 9.656 -9.941 1.00 0.00 C ATOM 787 O ALA A 48 3.369 9.115 -9.546 1.00 0.00 O ATOM 788 CB ALA A 48 4.951 8.968 -12.283 1.00 0.00 C ATOM 0 H ALA A 48 4.655 7.083 -10.090 1.00 0.00 H new ATOM 0 HA ALA A 48 6.363 9.383 -10.730 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.853 10.010 -12.587 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.695 8.475 -12.909 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.991 8.465 -12.397 1.00 0.00 H new ATOM 794 N THR A 49 4.727 10.908 -9.632 1.00 0.00 N ATOM 795 CA THR A 49 3.870 11.734 -8.791 1.00 0.00 C ATOM 796 C THR A 49 3.544 13.058 -9.472 1.00 0.00 C ATOM 797 O THR A 49 4.442 13.819 -9.833 1.00 0.00 O ATOM 798 CB THR A 49 4.527 12.019 -7.428 1.00 0.00 C ATOM 799 OG1 THR A 49 4.818 10.788 -6.757 1.00 0.00 O ATOM 800 CG2 THR A 49 3.619 12.874 -6.557 1.00 0.00 C ATOM 0 H THR A 49 5.577 11.372 -9.952 1.00 0.00 H new ATOM 0 HA THR A 49 2.949 11.174 -8.632 1.00 0.00 H new ATOM 0 HB THR A 49 5.454 12.565 -7.604 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.237 10.978 -5.892 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.105 13.062 -5.600 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.423 13.823 -7.057 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.677 12.351 -6.390 1.00 0.00 H new ATOM 808 N ALA A 50 2.254 13.328 -9.644 1.00 0.00 N ATOM 809 CA ALA A 50 1.810 14.563 -10.279 1.00 0.00 C ATOM 810 C ALA A 50 0.386 14.914 -9.862 1.00 0.00 C ATOM 811 O ALA A 50 -0.412 14.033 -9.544 1.00 0.00 O ATOM 812 CB ALA A 50 1.904 14.440 -11.793 1.00 0.00 C ATOM 0 H ALA A 50 1.498 12.708 -9.353 1.00 0.00 H new ATOM 0 HA ALA A 50 2.466 15.369 -9.949 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.570 15.369 -12.255 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.938 14.244 -12.079 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.272 13.619 -12.131 1.00 0.00 H new ATOM 818 N ASN A 51 0.075 16.206 -9.865 1.00 0.00 N ATOM 819 CA ASN A 51 -1.253 16.673 -9.485 1.00 0.00 C ATOM 820 C ASN A 51 -1.758 15.932 -8.250 1.00 0.00 C ATOM 821 O ASN A 51 -2.877 15.423 -8.234 1.00 0.00 O ATOM 822 CB ASN A 51 -2.234 16.483 -10.644 1.00 0.00 C ATOM 823 CG ASN A 51 -2.352 15.032 -11.069 1.00 0.00 C ATOM 824 OD1 ASN A 51 -3.158 14.278 -10.525 1.00 0.00 O ATOM 825 ND2 ASN A 51 -1.546 14.635 -12.048 1.00 0.00 N ATOM 0 H ASN A 51 0.724 16.948 -10.126 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.183 17.734 -9.247 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.216 16.854 -10.350 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.908 17.083 -11.494 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.580 13.670 -12.377 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.893 15.295 -12.470 1.00 0.00 H new ATOM 832 N GLY A 52 -0.923 15.878 -7.217 1.00 0.00 N ATOM 833 CA GLY A 52 -1.302 15.199 -5.992 1.00 0.00 C ATOM 834 C GLY A 52 -1.814 13.794 -6.242 1.00 0.00 C ATOM 835 O GLY A 52 -2.783 13.358 -5.621 1.00 0.00 O ATOM 0 H GLY A 52 0.009 16.292 -7.207 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.442 15.155 -5.324 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.073 15.778 -5.483 1.00 0.00 H new ATOM 839 N LYS A 53 -1.163 13.083 -7.157 1.00 0.00 N ATOM 840 CA LYS A 53 -1.557 11.720 -7.490 1.00 0.00 C ATOM 841 C LYS A 53 -0.333 10.831 -7.684 1.00 0.00 C ATOM 842 O LYS A 53 0.661 11.247 -8.283 1.00 0.00 O ATOM 843 CB LYS A 53 -2.414 11.710 -8.758 1.00 0.00 C ATOM 844 CG LYS A 53 -3.815 12.259 -8.550 1.00 0.00 C ATOM 845 CD LYS A 53 -4.670 11.309 -7.729 1.00 0.00 C ATOM 846 CE LYS A 53 -5.021 10.055 -8.515 1.00 0.00 C ATOM 847 NZ LYS A 53 -5.918 9.150 -7.744 1.00 0.00 N ATOM 0 H LYS A 53 -0.359 13.429 -7.681 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.143 11.325 -6.660 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.914 12.296 -9.529 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.485 10.688 -9.130 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.757 13.225 -8.048 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.287 12.431 -9.517 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.137 11.032 -6.819 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.585 11.815 -7.421 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.505 10.336 -9.450 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.107 9.523 -8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.134 8.307 -8.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.446 8.861 -6.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.801 9.649 -7.516 1.00 0.00 H new ATOM 861 N THR A 54 -0.410 9.605 -7.176 1.00 0.00 N ATOM 862 CA THR A 54 0.692 8.658 -7.294 1.00 0.00 C ATOM 863 C THR A 54 0.311 7.481 -8.184 1.00 0.00 C ATOM 864 O THR A 54 -0.633 6.747 -7.890 1.00 0.00 O ATOM 865 CB THR A 54 1.125 8.126 -5.915 1.00 0.00 C ATOM 866 OG1 THR A 54 0.004 8.101 -5.025 1.00 0.00 O ATOM 867 CG2 THR A 54 2.229 8.990 -5.324 1.00 0.00 C ATOM 0 H THR A 54 -1.224 9.244 -6.679 1.00 0.00 H new ATOM 0 HA THR A 54 1.526 9.196 -7.745 1.00 0.00 H new ATOM 0 HB THR A 54 1.508 7.114 -6.045 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.288 7.760 -4.151 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.518 8.595 -4.350 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.092 8.983 -5.990 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.868 10.012 -5.208 1.00 0.00 H new ATOM 875 N TYR A 55 1.052 7.304 -9.272 1.00 0.00 N ATOM 876 CA TYR A 55 0.791 6.216 -10.207 1.00 0.00 C ATOM 877 C TYR A 55 2.095 5.593 -10.695 1.00 0.00 C ATOM 878 O TYR A 55 3.108 6.277 -10.835 1.00 0.00 O ATOM 879 CB TYR A 55 -0.022 6.723 -11.398 1.00 0.00 C ATOM 880 CG TYR A 55 0.729 7.701 -12.272 1.00 0.00 C ATOM 881 CD1 TYR A 55 0.703 9.064 -12.004 1.00 0.00 C ATOM 882 CD2 TYR A 55 1.464 7.263 -13.367 1.00 0.00 C ATOM 883 CE1 TYR A 55 1.388 9.962 -12.800 1.00 0.00 C ATOM 884 CE2 TYR A 55 2.153 8.153 -14.168 1.00 0.00 C ATOM 885 CZ TYR A 55 2.111 9.502 -13.880 1.00 0.00 C ATOM 886 OH TYR A 55 2.795 10.392 -14.676 1.00 0.00 O ATOM 0 H TYR A 55 1.839 7.900 -9.528 1.00 0.00 H new ATOM 0 HA TYR A 55 0.217 5.451 -9.684 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.333 5.872 -12.004 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.930 7.201 -11.030 1.00 0.00 H new ATOM 0 HD1 TYR A 55 0.138 9.428 -11.159 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.497 6.208 -13.596 1.00 0.00 H new ATOM 0 HE1 TYR A 55 1.357 11.018 -12.577 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.721 7.795 -15.014 1.00 0.00 H new ATOM 0 HH TYR A 55 3.253 9.905 -15.392 1.00 0.00 H new ATOM 896 N GLU A 56 2.061 4.289 -10.953 1.00 0.00 N ATOM 897 CA GLU A 56 3.239 3.572 -11.425 1.00 0.00 C ATOM 898 C GLU A 56 3.070 3.146 -12.881 1.00 0.00 C ATOM 899 O GLU A 56 1.968 2.811 -13.316 1.00 0.00 O ATOM 900 CB GLU A 56 3.503 2.345 -10.551 1.00 0.00 C ATOM 901 CG GLU A 56 3.430 2.633 -9.060 1.00 0.00 C ATOM 902 CD GLU A 56 2.025 2.495 -8.508 1.00 0.00 C ATOM 903 OE1 GLU A 56 1.484 1.370 -8.533 1.00 0.00 O ATOM 904 OE2 GLU A 56 1.466 3.514 -8.049 1.00 0.00 O ATOM 0 H GLU A 56 1.230 3.708 -10.843 1.00 0.00 H new ATOM 0 HA GLU A 56 4.093 4.246 -11.358 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.778 1.570 -10.799 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.489 1.946 -10.788 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.094 1.951 -8.529 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.793 3.643 -8.871 1.00 0.00 H new ATOM 911 N ARG A 57 4.169 3.162 -13.628 1.00 0.00 N ATOM 912 CA ARG A 57 4.142 2.779 -15.034 1.00 0.00 C ATOM 913 C ARG A 57 5.279 1.815 -15.357 1.00 0.00 C ATOM 914 O ARG A 57 6.360 1.898 -14.774 1.00 0.00 O ATOM 915 CB ARG A 57 4.243 4.019 -15.925 1.00 0.00 C ATOM 916 CG ARG A 57 5.345 4.980 -15.508 1.00 0.00 C ATOM 917 CD ARG A 57 6.084 5.537 -16.715 1.00 0.00 C ATOM 918 NE ARG A 57 6.161 6.995 -16.685 1.00 0.00 N ATOM 919 CZ ARG A 57 5.130 7.791 -16.941 1.00 0.00 C ATOM 920 NH1 ARG A 57 3.948 7.273 -17.246 1.00 0.00 N ATOM 921 NH2 ARG A 57 5.279 9.109 -16.893 1.00 0.00 N ATOM 0 H ARG A 57 5.089 3.436 -13.283 1.00 0.00 H new ATOM 0 HA ARG A 57 3.195 2.276 -15.229 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.417 3.704 -16.954 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.289 4.545 -15.910 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.916 5.800 -14.932 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.049 4.466 -14.854 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.091 5.121 -16.747 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.579 5.219 -17.627 1.00 0.00 H new ATOM 0 HE ARG A 57 7.057 7.426 -16.455 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.829 6.261 -17.284 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.157 7.887 -17.442 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.187 9.511 -16.659 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.486 9.719 -17.090 1.00 0.00 H new ATOM 935 N GLN A 58 5.027 0.900 -16.288 1.00 0.00 N ATOM 936 CA GLN A 58 6.029 -0.081 -16.687 1.00 0.00 C ATOM 937 C GLN A 58 6.770 0.376 -17.939 1.00 0.00 C ATOM 938 O GLN A 58 6.161 0.871 -18.887 1.00 0.00 O ATOM 939 CB GLN A 58 5.373 -1.440 -16.935 1.00 0.00 C ATOM 940 CG GLN A 58 4.919 -2.137 -15.663 1.00 0.00 C ATOM 941 CD GLN A 58 4.035 -3.338 -15.939 1.00 0.00 C ATOM 942 OE1 GLN A 58 4.610 -4.371 -16.543 1.00 0.00 O flip ATOM 943 NE2 GLN A 58 2.847 -3.336 -15.614 1.00 0.00 N flip ATOM 0 H GLN A 58 4.137 0.818 -16.780 1.00 0.00 H new ATOM 0 HA GLN A 58 6.750 -0.177 -15.875 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.514 -1.305 -17.592 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.078 -2.084 -17.461 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.794 -2.457 -15.097 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.377 -1.427 -15.038 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.446 -2.520 -15.151 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.264 -4.150 -15.807 1.00 0.00 H new ATOM 952 N GLY A 59 8.089 0.206 -17.936 1.00 0.00 N ATOM 953 CA GLY A 59 8.891 0.606 -19.077 1.00 0.00 C ATOM 954 C GLY A 59 10.073 -0.315 -19.307 1.00 0.00 C ATOM 955 O GLY A 59 10.247 -1.303 -18.592 1.00 0.00 O ATOM 0 H GLY A 59 8.616 -0.202 -17.164 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.266 0.619 -19.970 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.251 1.623 -18.925 1.00 0.00 H new ATOM 959 N PHE A 60 10.886 0.007 -20.307 1.00 0.00 N ATOM 960 CA PHE A 60 12.057 -0.801 -20.631 1.00 0.00 C ATOM 961 C PHE A 60 13.343 -0.027 -20.360 1.00 0.00 C ATOM 962 O PHE A 60 13.442 1.162 -20.666 1.00 0.00 O ATOM 963 CB PHE A 60 12.011 -1.239 -22.096 1.00 0.00 C ATOM 964 CG PHE A 60 10.786 -2.035 -22.445 1.00 0.00 C ATOM 965 CD1 PHE A 60 9.635 -1.402 -22.886 1.00 0.00 C ATOM 966 CD2 PHE A 60 10.786 -3.416 -22.334 1.00 0.00 C ATOM 967 CE1 PHE A 60 8.506 -2.132 -23.207 1.00 0.00 C ATOM 968 CE2 PHE A 60 9.660 -4.152 -22.655 1.00 0.00 C ATOM 969 CZ PHE A 60 8.519 -3.509 -23.093 1.00 0.00 C ATOM 0 H PHE A 60 10.756 0.821 -20.907 1.00 0.00 H new ATOM 0 HA PHE A 60 12.045 -1.686 -19.994 1.00 0.00 H new ATOM 0 HB2 PHE A 60 12.054 -0.355 -22.733 1.00 0.00 H new ATOM 0 HB3 PHE A 60 12.897 -1.835 -22.317 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.620 -0.326 -22.980 1.00 0.00 H new ATOM 0 HD2 PHE A 60 11.676 -3.924 -21.993 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.614 -1.626 -23.547 1.00 0.00 H new ATOM 0 HE2 PHE A 60 9.673 -5.228 -22.563 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.639 -4.081 -23.346 1.00 0.00 H new ATOM 979 N VAL A 61 14.327 -0.709 -19.783 1.00 0.00 N ATOM 980 CA VAL A 61 15.608 -0.087 -19.470 1.00 0.00 C ATOM 981 C VAL A 61 16.769 -0.928 -19.991 1.00 0.00 C ATOM 982 O VAL A 61 16.666 -2.145 -20.146 1.00 0.00 O ATOM 983 CB VAL A 61 15.777 0.118 -17.953 1.00 0.00 C ATOM 984 CG1 VAL A 61 14.813 1.180 -17.447 1.00 0.00 C ATOM 985 CG2 VAL A 61 15.575 -1.195 -17.212 1.00 0.00 C ATOM 0 H VAL A 61 14.262 -1.693 -19.523 1.00 0.00 H new ATOM 0 HA VAL A 61 15.617 0.885 -19.963 1.00 0.00 H new ATOM 0 HB VAL A 61 16.793 0.463 -17.762 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.947 1.311 -16.373 1.00 0.00 H new ATOM 0 HG12 VAL A 61 15.012 2.124 -17.955 1.00 0.00 H new ATOM 0 HG13 VAL A 61 13.789 0.868 -17.649 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.698 -1.031 -16.141 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.572 -1.573 -17.408 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.310 -1.923 -17.555 1.00 0.00 H new ATOM 995 N PRO A 62 17.902 -0.265 -20.267 1.00 0.00 N ATOM 996 CA PRO A 62 19.105 -0.932 -20.773 1.00 0.00 C ATOM 997 C PRO A 62 19.764 -1.817 -19.721 1.00 0.00 C ATOM 998 O PRO A 62 20.269 -1.327 -18.712 1.00 0.00 O ATOM 999 CB PRO A 62 20.026 0.233 -21.145 1.00 0.00 C ATOM 1000 CG PRO A 62 19.579 1.360 -20.280 1.00 0.00 C ATOM 1001 CD PRO A 62 18.096 1.186 -20.106 1.00 0.00 C ATOM 0 HA PRO A 62 18.881 -1.600 -21.605 1.00 0.00 H new ATOM 0 HB2 PRO A 62 21.072 -0.015 -20.963 1.00 0.00 H new ATOM 0 HB3 PRO A 62 19.938 0.486 -22.202 1.00 0.00 H new ATOM 0 HG2 PRO A 62 20.090 1.339 -19.317 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.808 2.321 -20.742 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.763 1.530 -19.127 1.00 0.00 H new ATOM 0 HD3 PRO A 62 17.535 1.752 -20.850 1.00 0.00 H new ATOM 1009 N ALA A 63 19.755 -3.124 -19.963 1.00 0.00 N ATOM 1010 CA ALA A 63 20.354 -4.077 -19.037 1.00 0.00 C ATOM 1011 C ALA A 63 21.856 -3.849 -18.911 1.00 0.00 C ATOM 1012 O ALA A 63 22.498 -4.372 -18.000 1.00 0.00 O ATOM 1013 CB ALA A 63 20.070 -5.502 -19.490 1.00 0.00 C ATOM 0 H ALA A 63 19.339 -3.547 -20.793 1.00 0.00 H new ATOM 0 HA ALA A 63 19.906 -3.924 -18.055 1.00 0.00 H new ATOM 0 HB1 ALA A 63 20.523 -6.204 -18.790 1.00 0.00 H new ATOM 0 HB2 ALA A 63 18.993 -5.666 -19.522 1.00 0.00 H new ATOM 0 HB3 ALA A 63 20.490 -5.659 -20.483 1.00 0.00 H new ATOM 1019 N ALA A 64 22.411 -3.067 -19.831 1.00 0.00 N ATOM 1020 CA ALA A 64 23.838 -2.769 -19.820 1.00 0.00 C ATOM 1021 C ALA A 64 24.169 -1.705 -18.780 1.00 0.00 C ATOM 1022 O ALA A 64 25.310 -1.598 -18.329 1.00 0.00 O ATOM 1023 CB ALA A 64 24.293 -2.320 -21.201 1.00 0.00 C ATOM 0 H ALA A 64 21.894 -2.628 -20.593 1.00 0.00 H new ATOM 0 HA ALA A 64 24.373 -3.680 -19.551 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.360 -2.101 -21.179 1.00 0.00 H new ATOM 0 HB2 ALA A 64 24.100 -3.113 -21.923 1.00 0.00 H new ATOM 0 HB3 ALA A 64 23.744 -1.424 -21.491 1.00 0.00 H new ATOM 1029 N TYR A 65 23.166 -0.920 -18.403 1.00 0.00 N ATOM 1030 CA TYR A 65 23.353 0.138 -17.417 1.00 0.00 C ATOM 1031 C TYR A 65 22.744 -0.255 -16.075 1.00 0.00 C ATOM 1032 O TYR A 65 23.143 0.252 -15.026 1.00 0.00 O ATOM 1033 CB TYR A 65 22.725 1.442 -17.913 1.00 0.00 C ATOM 1034 CG TYR A 65 23.310 1.939 -19.215 1.00 0.00 C ATOM 1035 CD1 TYR A 65 24.619 1.636 -19.572 1.00 0.00 C ATOM 1036 CD2 TYR A 65 22.556 2.713 -20.088 1.00 0.00 C ATOM 1037 CE1 TYR A 65 25.158 2.089 -20.760 1.00 0.00 C ATOM 1038 CE2 TYR A 65 23.087 3.169 -21.280 1.00 0.00 C ATOM 1039 CZ TYR A 65 24.388 2.854 -21.611 1.00 0.00 C ATOM 1040 OH TYR A 65 24.921 3.307 -22.796 1.00 0.00 O ATOM 0 H TYR A 65 22.215 -0.996 -18.765 1.00 0.00 H new ATOM 0 HA TYR A 65 24.424 0.287 -17.279 1.00 0.00 H new ATOM 0 HB2 TYR A 65 21.653 1.294 -18.039 1.00 0.00 H new ATOM 0 HB3 TYR A 65 22.853 2.210 -17.150 1.00 0.00 H new ATOM 0 HD1 TYR A 65 25.225 1.036 -18.909 1.00 0.00 H new ATOM 0 HD2 TYR A 65 21.537 2.963 -19.831 1.00 0.00 H new ATOM 0 HE1 TYR A 65 26.177 1.846 -21.021 1.00 0.00 H new ATOM 0 HE2 TYR A 65 22.486 3.768 -21.948 1.00 0.00 H new ATOM 0 HH TYR A 65 24.247 3.830 -23.279 1.00 0.00 H new ATOM 1050 N VAL A 66 21.774 -1.163 -16.115 1.00 0.00 N ATOM 1051 CA VAL A 66 21.109 -1.626 -14.903 1.00 0.00 C ATOM 1052 C VAL A 66 21.356 -3.113 -14.675 1.00 0.00 C ATOM 1053 O VAL A 66 21.407 -3.898 -15.623 1.00 0.00 O ATOM 1054 CB VAL A 66 19.591 -1.372 -14.963 1.00 0.00 C ATOM 1055 CG1 VAL A 66 19.306 0.090 -15.272 1.00 0.00 C ATOM 1056 CG2 VAL A 66 18.939 -2.281 -15.994 1.00 0.00 C ATOM 0 H VAL A 66 21.431 -1.593 -16.974 1.00 0.00 H new ATOM 0 HA VAL A 66 21.532 -1.059 -14.074 1.00 0.00 H new ATOM 0 HB VAL A 66 19.163 -1.602 -13.987 1.00 0.00 H new ATOM 0 HG11 VAL A 66 18.229 0.250 -15.310 1.00 0.00 H new ATOM 0 HG12 VAL A 66 19.739 0.718 -14.493 1.00 0.00 H new ATOM 0 HG13 VAL A 66 19.746 0.351 -16.234 1.00 0.00 H new ATOM 0 HG21 VAL A 66 17.867 -2.088 -16.023 1.00 0.00 H new ATOM 0 HG22 VAL A 66 19.370 -2.085 -16.976 1.00 0.00 H new ATOM 0 HG23 VAL A 66 19.113 -3.322 -15.723 1.00 0.00 H new ATOM 1066 N LYS A 67 21.507 -3.495 -13.412 1.00 0.00 N ATOM 1067 CA LYS A 67 21.747 -4.889 -13.057 1.00 0.00 C ATOM 1068 C LYS A 67 21.056 -5.243 -11.744 1.00 0.00 C ATOM 1069 O LYS A 67 21.024 -4.440 -10.811 1.00 0.00 O ATOM 1070 CB LYS A 67 23.249 -5.157 -12.944 1.00 0.00 C ATOM 1071 CG LYS A 67 23.582 -6.534 -12.396 1.00 0.00 C ATOM 1072 CD LYS A 67 25.083 -6.752 -12.308 1.00 0.00 C ATOM 1073 CE LYS A 67 25.701 -6.937 -13.686 1.00 0.00 C ATOM 1074 NZ LYS A 67 25.107 -8.095 -14.409 1.00 0.00 N ATOM 0 H LYS A 67 21.467 -2.858 -12.616 1.00 0.00 H new ATOM 0 HA LYS A 67 21.331 -5.515 -13.846 1.00 0.00 H new ATOM 0 HB2 LYS A 67 23.704 -5.047 -13.928 1.00 0.00 H new ATOM 0 HB3 LYS A 67 23.697 -4.401 -12.300 1.00 0.00 H new ATOM 0 HG2 LYS A 67 23.138 -6.650 -11.407 1.00 0.00 H new ATOM 0 HG3 LYS A 67 23.140 -7.298 -13.036 1.00 0.00 H new ATOM 0 HD2 LYS A 67 25.547 -5.900 -11.811 1.00 0.00 H new ATOM 0 HD3 LYS A 67 25.289 -7.629 -11.695 1.00 0.00 H new ATOM 0 HE2 LYS A 67 25.558 -6.030 -14.273 1.00 0.00 H new ATOM 0 HE3 LYS A 67 26.776 -7.085 -13.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 25.865 -8.657 -14.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 24.579 -8.689 -13.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 24.462 -7.749 -15.148 1.00 0.00 H new ATOM 1088 N LYS A 68 20.505 -6.450 -11.677 1.00 0.00 N ATOM 1089 CA LYS A 68 19.817 -6.912 -10.478 1.00 0.00 C ATOM 1090 C LYS A 68 20.705 -6.758 -9.247 1.00 0.00 C ATOM 1091 O LYS A 68 21.933 -6.787 -9.348 1.00 0.00 O ATOM 1092 CB LYS A 68 19.398 -8.376 -10.637 1.00 0.00 C ATOM 1093 CG LYS A 68 18.071 -8.554 -11.355 1.00 0.00 C ATOM 1094 CD LYS A 68 18.246 -8.523 -12.864 1.00 0.00 C ATOM 1095 CE LYS A 68 18.974 -9.760 -13.366 1.00 0.00 C ATOM 1096 NZ LYS A 68 18.568 -10.118 -14.754 1.00 0.00 N ATOM 0 H LYS A 68 20.522 -7.127 -12.440 1.00 0.00 H new ATOM 0 HA LYS A 68 18.927 -6.298 -10.342 1.00 0.00 H new ATOM 0 HB2 LYS A 68 20.173 -8.910 -11.187 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.333 -8.836 -9.651 1.00 0.00 H new ATOM 0 HG2 LYS A 68 17.620 -9.501 -11.059 1.00 0.00 H new ATOM 0 HG3 LYS A 68 17.383 -7.765 -11.051 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.269 -8.455 -13.343 1.00 0.00 H new ATOM 0 HD3 LYS A 68 18.804 -7.631 -13.148 1.00 0.00 H new ATOM 0 HE2 LYS A 68 20.050 -9.586 -13.336 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.768 -10.598 -12.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.953 -11.053 -14.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.530 -10.143 -14.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.937 -9.408 -15.418 1.00 0.00 H new ATOM 1110 N LEU A 69 20.079 -6.595 -8.087 1.00 0.00 N ATOM 1111 CA LEU A 69 20.813 -6.438 -6.837 1.00 0.00 C ATOM 1112 C LEU A 69 21.382 -7.773 -6.368 1.00 0.00 C ATOM 1113 O LEU A 69 22.133 -7.832 -5.394 1.00 0.00 O ATOM 1114 CB LEU A 69 19.901 -5.852 -5.757 1.00 0.00 C ATOM 1115 CG LEU A 69 19.812 -4.326 -5.710 1.00 0.00 C ATOM 1116 CD1 LEU A 69 21.196 -3.715 -5.564 1.00 0.00 C ATOM 1117 CD2 LEU A 69 19.120 -3.794 -6.957 1.00 0.00 C ATOM 0 H LEU A 69 19.064 -6.568 -7.986 1.00 0.00 H new ATOM 0 HA LEU A 69 21.642 -5.753 -7.015 1.00 0.00 H new ATOM 0 HB2 LEU A 69 18.897 -6.250 -5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 69 20.247 -6.206 -4.786 1.00 0.00 H new ATOM 0 HG LEU A 69 19.219 -4.042 -4.841 1.00 0.00 H new ATOM 0 HD11 LEU A 69 21.113 -2.629 -5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 69 21.655 -4.071 -4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 69 21.814 -4.007 -6.413 1.00 0.00 H new ATOM 0 HD21 LEU A 69 19.065 -2.707 -6.907 1.00 0.00 H new ATOM 0 HD22 LEU A 69 19.686 -4.088 -7.841 1.00 0.00 H new ATOM 0 HD23 LEU A 69 18.112 -4.206 -7.018 1.00 0.00 H new ATOM 1129 N ASP A 70 21.021 -8.843 -7.068 1.00 0.00 N ATOM 1130 CA ASP A 70 21.498 -10.178 -6.725 1.00 0.00 C ATOM 1131 C ASP A 70 22.564 -10.643 -7.712 1.00 0.00 C ATOM 1132 O ASP A 70 23.274 -11.618 -7.459 1.00 0.00 O ATOM 1133 CB ASP A 70 20.334 -11.170 -6.708 1.00 0.00 C ATOM 1134 CG ASP A 70 19.753 -11.405 -8.089 1.00 0.00 C ATOM 1135 OD1 ASP A 70 20.430 -12.054 -8.913 1.00 0.00 O ATOM 1136 OD2 ASP A 70 18.623 -10.940 -8.345 1.00 0.00 O ATOM 0 H ASP A 70 20.400 -8.812 -7.876 1.00 0.00 H new ATOM 0 HA ASP A 70 21.942 -10.134 -5.731 1.00 0.00 H new ATOM 0 HB2 ASP A 70 20.675 -12.119 -6.294 1.00 0.00 H new ATOM 0 HB3 ASP A 70 19.552 -10.797 -6.047 1.00 0.00 H new TER 1141 ASP A 70